USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 675 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 HIS : no HD1:sc= 0.337 K(o=0.74,f=-2.7) USER MOD Set 1.2: A 81 SER OG : rot 180:sc= 0.398 USER MOD Set 2.1: A 69 SER OG : rot -93:sc= 0.132 USER MOD Set 2.2: A 71 SER OG : rot 180:sc= 0.45 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 20 SER OG : rot 68:sc= 0.0871 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 68:sc= 1.24 USER MOD Single : A 30 HIS : no HD1:sc= -0.326 X(o=-0.33,f=-0.23) USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= -0.913 (180deg=-0.914) USER MOD Single : A 33 THR OG1 : rot 82:sc= 1.15 USER MOD Single : A 34 THR OG1 : rot 78:sc= 0.403 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.449 X(o=-0.45,f=-0.31) USER MOD Single : A 44 TYR OH : rot -120:sc= -0.472 USER MOD Single : A 45 MET CE :methyl 156:sc= -0.198 (180deg=-0.895) USER MOD Single : A 46 ASN : amide:sc= -0.195 K(o=-0.19,f=-2.3!) USER MOD Single : A 47 ASN : amide:sc= -0.512 K(o=-0.51,f=-3.1!) USER MOD Single : A 50 SER OG : rot 180:sc=-0.00456 USER MOD Single : A 54 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.00388) USER MOD Single : A 55 ASN : amide:sc=-0.00886 X(o=-0.0089,f=-0.27) USER MOD Single : A 56 GLN : amide:sc= -0.269 K(o=-0.27,f=-4.5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -160:sc= -0.295 USER MOD Single : A 82 GLN : amide:sc=-0.00396 X(o=-0.004,f=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 1.521 -16.809 1.648 1.00 0.00 N ATOM 30 CA ASP A 3 0.830 -16.073 2.710 1.00 0.00 C ATOM 31 C ASP A 3 1.764 -15.056 3.365 1.00 0.00 C ATOM 32 O ASP A 3 2.325 -15.306 4.435 1.00 0.00 O ATOM 33 CB ASP A 3 0.273 -17.039 3.762 1.00 0.00 C ATOM 34 CG ASP A 3 -0.859 -17.909 3.237 1.00 0.00 C ATOM 35 OD1 ASP A 3 -0.937 -18.122 2.005 1.00 0.00 O ATOM 36 OD2 ASP A 3 -1.667 -18.382 4.059 1.00 0.00 O ATOM 0 HA ASP A 3 -0.002 -15.533 2.259 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.079 -17.680 4.120 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.084 -16.467 4.618 1.00 0.00 H new ATOM 41 N VAL A 4 1.934 -13.912 2.708 1.00 0.00 N ATOM 42 CA VAL A 4 2.807 -12.855 3.217 1.00 0.00 C ATOM 43 C VAL A 4 2.065 -11.938 4.190 1.00 0.00 C ATOM 44 O VAL A 4 0.873 -11.670 4.020 1.00 0.00 O ATOM 45 CB VAL A 4 3.392 -12.004 2.068 1.00 0.00 C ATOM 46 CG1 VAL A 4 4.425 -11.017 2.600 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.003 -12.894 0.995 1.00 0.00 C ATOM 0 H VAL A 4 1.479 -13.692 1.822 1.00 0.00 H new ATOM 0 HA VAL A 4 3.622 -13.350 3.745 1.00 0.00 H new ATOM 0 HB VAL A 4 2.578 -11.436 1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.824 -10.428 1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.954 -10.353 3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.236 -11.563 3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.409 -12.274 0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.802 -13.493 1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.236 -13.553 0.589 1.00 0.00 H new ATOM 57 N ARG A 5 2.781 -11.457 5.211 1.00 0.00 N ATOM 58 CA ARG A 5 2.198 -10.566 6.216 1.00 0.00 C ATOM 59 C ARG A 5 2.422 -9.100 5.845 1.00 0.00 C ATOM 60 O ARG A 5 3.537 -8.583 5.960 1.00 0.00 O ATOM 61 CB ARG A 5 2.803 -10.852 7.595 1.00 0.00 C ATOM 62 CG ARG A 5 1.790 -10.806 8.727 1.00 0.00 C ATOM 63 CD ARG A 5 2.451 -11.023 10.081 1.00 0.00 C ATOM 64 NE ARG A 5 1.644 -11.871 10.958 1.00 0.00 N ATOM 65 CZ ARG A 5 1.807 -11.950 12.282 1.00 0.00 C ATOM 66 NH1 ARG A 5 2.756 -11.242 12.890 1.00 0.00 N ATOM 67 NH2 ARG A 5 1.020 -12.745 13.000 1.00 0.00 N ATOM 0 H ARG A 5 3.767 -11.671 5.362 1.00 0.00 H new ATOM 0 HA ARG A 5 1.125 -10.753 6.250 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.273 -11.835 7.579 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.591 -10.126 7.794 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.280 -9.843 8.721 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.029 -11.570 8.566 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.430 -11.480 9.937 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.617 -10.059 10.562 1.00 0.00 H new ATOM 0 HE ARG A 5 0.911 -12.438 10.532 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.366 -10.633 12.345 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.873 -11.309 13.901 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.293 -13.293 12.540 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.143 -12.807 14.011 1.00 0.00 H new ATOM 81 N ILE A 6 1.356 -8.433 5.403 1.00 0.00 N ATOM 82 CA ILE A 6 1.435 -7.029 5.018 1.00 0.00 C ATOM 83 C ILE A 6 0.809 -6.131 6.084 1.00 0.00 C ATOM 84 O ILE A 6 -0.347 -6.325 6.471 1.00 0.00 O ATOM 85 CB ILE A 6 0.734 -6.772 3.663 1.00 0.00 C ATOM 86 CG1 ILE A 6 1.201 -7.782 2.611 1.00 0.00 C ATOM 87 CG2 ILE A 6 0.996 -5.349 3.188 1.00 0.00 C ATOM 88 CD1 ILE A 6 0.305 -7.849 1.392 1.00 0.00 C ATOM 0 H ILE A 6 0.428 -8.845 5.304 1.00 0.00 H new ATOM 0 HA ILE A 6 2.493 -6.788 4.919 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.339 -6.897 3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.211 -7.523 2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.254 -8.771 3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.495 -5.186 2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.612 -4.643 3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.069 -5.198 3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.699 -8.585 0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.701 -8.139 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.272 -6.872 0.911 1.00 0.00 H new ATOM 100 N LYS A 7 1.577 -5.147 6.549 1.00 0.00 N ATOM 101 CA LYS A 7 1.100 -4.215 7.565 1.00 0.00 C ATOM 102 C LYS A 7 0.752 -2.868 6.937 1.00 0.00 C ATOM 103 O LYS A 7 1.552 -2.293 6.196 1.00 0.00 O ATOM 104 CB LYS A 7 2.154 -4.031 8.660 1.00 0.00 C ATOM 105 CG LYS A 7 2.098 -5.096 9.743 1.00 0.00 C ATOM 106 CD LYS A 7 3.231 -4.932 10.744 1.00 0.00 C ATOM 107 CE LYS A 7 2.834 -5.428 12.127 1.00 0.00 C ATOM 108 NZ LYS A 7 2.102 -4.388 12.906 1.00 0.00 N ATOM 0 H LYS A 7 2.533 -4.976 6.237 1.00 0.00 H new ATOM 0 HA LYS A 7 0.199 -4.632 8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.144 -4.039 8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.022 -3.051 9.119 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.141 -5.039 10.262 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.154 -6.084 9.286 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.106 -5.482 10.397 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.517 -3.882 10.802 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.207 -6.314 12.028 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.727 -5.729 12.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.851 -4.768 13.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.708 -3.551 13.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.236 -4.119 12.397 1.00 0.00 H new ATOM 122 N PHE A 8 -0.449 -2.372 7.238 1.00 0.00 N ATOM 123 CA PHE A 8 -0.916 -1.093 6.705 1.00 0.00 C ATOM 124 C PHE A 8 -1.027 -0.049 7.815 1.00 0.00 C ATOM 125 O PHE A 8 -1.608 -0.316 8.868 1.00 0.00 O ATOM 126 CB PHE A 8 -2.273 -1.269 6.018 1.00 0.00 C ATOM 127 CG PHE A 8 -2.242 -2.223 4.855 1.00 0.00 C ATOM 128 CD1 PHE A 8 -1.795 -1.804 3.611 1.00 0.00 C ATOM 129 CD2 PHE A 8 -2.656 -3.539 5.006 1.00 0.00 C ATOM 130 CE1 PHE A 8 -1.764 -2.678 2.540 1.00 0.00 C ATOM 131 CE2 PHE A 8 -2.627 -4.416 3.938 1.00 0.00 C ATOM 132 CZ PHE A 8 -2.180 -3.985 2.704 1.00 0.00 C ATOM 0 H PHE A 8 -1.118 -2.839 7.850 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.187 -0.744 5.973 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.998 -1.626 6.750 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.623 -0.297 5.670 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.467 -0.784 3.477 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.005 -3.882 5.969 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.415 -2.339 1.576 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.953 -5.437 4.068 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.156 -4.669 1.869 1.00 0.00 H new ATOM 142 N GLU A 9 -0.473 1.141 7.572 1.00 0.00 N ATOM 143 CA GLU A 9 -0.518 2.223 8.554 1.00 0.00 C ATOM 144 C GLU A 9 -1.250 3.441 7.997 1.00 0.00 C ATOM 145 O GLU A 9 -0.952 3.908 6.895 1.00 0.00 O ATOM 146 CB GLU A 9 0.897 2.617 8.989 1.00 0.00 C ATOM 147 CG GLU A 9 0.923 3.632 10.124 1.00 0.00 C ATOM 148 CD GLU A 9 2.268 4.322 10.267 1.00 0.00 C ATOM 149 OE1 GLU A 9 3.268 3.624 10.536 1.00 0.00 O ATOM 150 OE2 GLU A 9 2.316 5.560 10.112 1.00 0.00 O ATOM 0 H GLU A 9 0.010 1.378 6.706 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.066 1.859 9.423 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.435 1.722 9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.431 3.028 8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.152 4.382 9.952 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.676 3.130 11.060 1.00 0.00 H new ATOM 157 N HIS A 10 -2.206 3.953 8.772 1.00 0.00 N ATOM 158 CA HIS A 10 -2.988 5.119 8.373 1.00 0.00 C ATOM 159 C HIS A 10 -3.240 6.033 9.567 1.00 0.00 C ATOM 160 O HIS A 10 -3.827 5.614 10.561 1.00 0.00 O ATOM 161 CB HIS A 10 -4.318 4.676 7.766 1.00 0.00 C ATOM 162 CG HIS A 10 -5.028 5.749 6.998 1.00 0.00 C ATOM 163 ND1 HIS A 10 -6.391 5.932 7.058 1.00 0.00 N ATOM 164 CD2 HIS A 10 -4.562 6.689 6.141 1.00 0.00 C ATOM 165 CE1 HIS A 10 -6.735 6.933 6.269 1.00 0.00 C ATOM 166 NE2 HIS A 10 -5.643 7.412 5.702 1.00 0.00 N ATOM 0 H HIS A 10 -2.457 3.574 9.685 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.421 5.674 7.626 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.139 3.829 7.104 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.970 4.324 8.565 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.531 6.841 5.856 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.739 7.298 6.114 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -5.608 8.192 5.045 1.00 0.00 H new ATOM 175 N ASN A 11 -2.788 7.282 9.462 1.00 0.00 N ATOM 176 CA ASN A 11 -2.961 8.261 10.537 1.00 0.00 C ATOM 177 C ASN A 11 -2.264 7.811 11.829 1.00 0.00 C ATOM 178 O ASN A 11 -2.661 8.205 12.927 1.00 0.00 O ATOM 179 CB ASN A 11 -4.452 8.507 10.800 1.00 0.00 C ATOM 180 CG ASN A 11 -4.724 9.914 11.300 1.00 0.00 C ATOM 181 OD1 ASN A 11 -4.641 10.188 12.498 1.00 0.00 O ATOM 182 ND2 ASN A 11 -5.049 10.819 10.383 1.00 0.00 N ATOM 0 H ASN A 11 -2.298 7.641 8.642 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.496 9.192 10.213 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.014 8.335 9.882 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -4.813 7.787 11.534 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.240 11.781 10.662 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.107 10.551 9.400 1.00 0.00 H new ATOM 189 N GLY A 12 -1.221 6.985 11.691 1.00 0.00 N ATOM 190 CA GLY A 12 -0.489 6.506 12.852 1.00 0.00 C ATOM 191 C GLY A 12 -0.823 5.071 13.227 1.00 0.00 C ATOM 192 O GLY A 12 0.078 4.269 13.476 1.00 0.00 O ATOM 0 H GLY A 12 -0.874 6.642 10.795 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.580 6.583 12.655 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.704 7.155 13.701 1.00 0.00 H new ATOM 196 N GLU A 13 -2.117 4.744 13.275 1.00 0.00 N ATOM 197 CA GLU A 13 -2.552 3.392 13.631 1.00 0.00 C ATOM 198 C GLU A 13 -2.124 2.375 12.573 1.00 0.00 C ATOM 199 O GLU A 13 -2.186 2.648 11.372 1.00 0.00 O ATOM 200 CB GLU A 13 -4.072 3.344 13.826 1.00 0.00 C ATOM 201 CG GLU A 13 -4.867 3.635 12.560 1.00 0.00 C ATOM 202 CD GLU A 13 -5.736 4.875 12.679 1.00 0.00 C ATOM 203 OE1 GLU A 13 -5.234 5.910 13.169 1.00 0.00 O ATOM 204 OE2 GLU A 13 -6.915 4.810 12.277 1.00 0.00 O ATOM 0 H GLU A 13 -2.877 5.393 13.073 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.070 3.128 14.572 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.349 2.358 14.199 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.353 4.065 14.593 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.178 3.760 11.725 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.497 2.777 12.328 1.00 0.00 H new ATOM 211 N ARG A 14 -1.683 1.204 13.031 1.00 0.00 N ATOM 212 CA ARG A 14 -1.234 0.143 12.133 1.00 0.00 C ATOM 213 C ARG A 14 -2.225 -1.023 12.106 1.00 0.00 C ATOM 214 O ARG A 14 -2.976 -1.236 13.060 1.00 0.00 O ATOM 215 CB ARG A 14 0.151 -0.355 12.554 1.00 0.00 C ATOM 216 CG ARG A 14 1.295 0.438 11.942 1.00 0.00 C ATOM 217 CD ARG A 14 2.585 0.260 12.728 1.00 0.00 C ATOM 218 NE ARG A 14 3.340 1.510 12.828 1.00 0.00 N ATOM 219 CZ ARG A 14 3.039 2.500 13.675 1.00 0.00 C ATOM 220 NH1 ARG A 14 1.996 2.393 14.496 1.00 0.00 N ATOM 221 NH2 ARG A 14 3.783 3.602 13.695 1.00 0.00 N ATOM 0 H ARG A 14 -1.627 0.967 14.021 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.176 0.559 11.127 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.229 -0.310 13.640 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.253 -1.402 12.270 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.449 0.118 10.911 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.030 1.495 11.911 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.353 -0.105 13.729 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.202 -0.499 12.247 1.00 0.00 H new ATOM 0 HE ARG A 14 4.145 1.633 12.214 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.420 1.551 14.482 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.773 3.153 15.139 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.581 3.690 13.065 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.556 4.359 14.340 1.00 0.00 H new ATOM 235 N ARG A 15 -2.212 -1.774 11.004 1.00 0.00 N ATOM 236 CA ARG A 15 -3.101 -2.921 10.833 1.00 0.00 C ATOM 237 C ARG A 15 -2.340 -4.123 10.273 1.00 0.00 C ATOM 238 O ARG A 15 -1.375 -3.962 9.523 1.00 0.00 O ATOM 239 CB ARG A 15 -4.255 -2.554 9.898 1.00 0.00 C ATOM 240 CG ARG A 15 -5.561 -3.257 10.230 1.00 0.00 C ATOM 241 CD ARG A 15 -6.699 -2.264 10.418 1.00 0.00 C ATOM 242 NE ARG A 15 -6.560 -1.497 11.656 1.00 0.00 N ATOM 243 CZ ARG A 15 -6.772 -2.002 12.876 1.00 0.00 C ATOM 244 NH1 ARG A 15 -7.113 -3.280 13.027 1.00 0.00 N ATOM 245 NH2 ARG A 15 -6.638 -1.228 13.947 1.00 0.00 N ATOM 0 H ARG A 15 -1.591 -1.606 10.213 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.501 -3.192 11.810 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.413 -1.476 9.937 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.972 -2.798 8.874 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.813 -3.954 9.431 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.437 -3.846 11.139 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.727 -1.580 9.570 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.649 -2.799 10.428 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.285 -0.517 11.584 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.214 -3.881 12.209 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.273 -3.658 13.961 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.374 -0.249 13.839 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.800 -1.613 14.878 1.00 0.00 H new ATOM 259 N ILE A 16 -2.781 -5.329 10.640 1.00 0.00 N ATOM 260 CA ILE A 16 -2.141 -6.559 10.173 1.00 0.00 C ATOM 261 C ILE A 16 -3.091 -7.374 9.295 1.00 0.00 C ATOM 262 O ILE A 16 -4.147 -7.816 9.753 1.00 0.00 O ATOM 263 CB ILE A 16 -1.667 -7.437 11.355 1.00 0.00 C ATOM 264 CG1 ILE A 16 -0.866 -6.604 12.359 1.00 0.00 C ATOM 265 CG2 ILE A 16 -0.832 -8.609 10.847 1.00 0.00 C ATOM 266 CD1 ILE A 16 -0.455 -7.375 13.597 1.00 0.00 C ATOM 0 H ILE A 16 -3.578 -5.479 11.259 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.273 -6.259 9.586 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.546 -7.833 11.863 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.028 -6.219 11.868 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.461 -5.742 12.659 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.506 -9.217 11.691 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.433 -9.218 10.172 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.041 -8.230 10.315 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.109 -6.721 14.262 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.345 -7.737 14.112 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.167 -8.222 13.308 1.00 0.00 H new ATOM 278 N ILE A 17 -2.709 -7.565 8.030 1.00 0.00 N ATOM 279 CA ILE A 17 -3.526 -8.325 7.085 1.00 0.00 C ATOM 280 C ILE A 17 -2.688 -9.364 6.338 1.00 0.00 C ATOM 281 O ILE A 17 -1.577 -9.075 5.889 1.00 0.00 O ATOM 282 CB ILE A 17 -4.210 -7.399 6.055 1.00 0.00 C ATOM 283 CG1 ILE A 17 -4.893 -6.219 6.757 1.00 0.00 C ATOM 284 CG2 ILE A 17 -5.218 -8.178 5.219 1.00 0.00 C ATOM 285 CD1 ILE A 17 -6.058 -6.621 7.639 1.00 0.00 C ATOM 0 H ILE A 17 -1.839 -7.204 7.638 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.292 -8.832 7.672 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.442 -7.005 5.389 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.155 -5.693 7.363 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.246 -5.515 6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.689 -7.508 4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.707 -8.980 4.687 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.980 -8.604 5.872 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.489 -5.732 8.100 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.816 -7.120 7.035 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.708 -7.300 8.416 1.00 0.00 H new ATOM 297 N ALA A 18 -3.236 -10.574 6.201 1.00 0.00 N ATOM 298 CA ALA A 18 -2.548 -11.655 5.502 1.00 0.00 C ATOM 299 C ALA A 18 -2.976 -11.719 4.037 1.00 0.00 C ATOM 300 O ALA A 18 -4.149 -11.520 3.715 1.00 0.00 O ATOM 301 CB ALA A 18 -2.819 -12.986 6.190 1.00 0.00 C ATOM 0 H ALA A 18 -4.154 -10.827 6.566 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.477 -11.453 5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.300 -13.783 5.658 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.461 -12.943 7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.891 -13.186 6.187 1.00 0.00 H new ATOM 307 N PHE A 19 -2.016 -12.000 3.155 1.00 0.00 N ATOM 308 CA PHE A 19 -2.287 -12.094 1.721 1.00 0.00 C ATOM 309 C PHE A 19 -1.739 -13.400 1.146 1.00 0.00 C ATOM 310 O PHE A 19 -0.530 -13.636 1.164 1.00 0.00 O ATOM 311 CB PHE A 19 -1.672 -10.901 0.983 1.00 0.00 C ATOM 312 CG PHE A 19 -2.601 -9.725 0.846 1.00 0.00 C ATOM 313 CD1 PHE A 19 -3.034 -9.031 1.964 1.00 0.00 C ATOM 314 CD2 PHE A 19 -3.040 -9.315 -0.404 1.00 0.00 C ATOM 315 CE1 PHE A 19 -3.885 -7.950 1.839 1.00 0.00 C ATOM 316 CE2 PHE A 19 -3.892 -8.236 -0.534 1.00 0.00 C ATOM 317 CZ PHE A 19 -4.316 -7.553 0.589 1.00 0.00 C ATOM 0 H PHE A 19 -1.042 -12.167 3.410 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.368 -12.081 1.581 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.774 -10.583 1.512 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.359 -11.223 -0.011 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.702 -9.339 2.945 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.712 -9.846 -1.286 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.213 -7.416 2.719 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.227 -7.926 -1.513 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.984 -6.710 0.489 1.00 0.00 H new ATOM 327 N SER A 20 -2.638 -14.244 0.637 1.00 0.00 N ATOM 328 CA SER A 20 -2.247 -15.526 0.052 1.00 0.00 C ATOM 329 C SER A 20 -1.876 -15.362 -1.423 1.00 0.00 C ATOM 330 O SER A 20 -2.521 -14.606 -2.153 1.00 0.00 O ATOM 331 CB SER A 20 -3.385 -16.540 0.198 1.00 0.00 C ATOM 332 OG SER A 20 -3.015 -17.806 -0.320 1.00 0.00 O ATOM 0 H SER A 20 -3.641 -14.062 0.618 1.00 0.00 H new ATOM 0 HA SER A 20 -1.371 -15.893 0.587 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.654 -16.639 1.250 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.269 -16.175 -0.324 1.00 0.00 H new ATOM 0 HG SER A 20 -2.314 -18.197 0.242 1.00 0.00 H new ATOM 338 N ARG A 21 -0.836 -16.076 -1.854 1.00 0.00 N ATOM 339 CA ARG A 21 -0.381 -16.012 -3.241 1.00 0.00 C ATOM 340 C ARG A 21 -1.179 -16.974 -4.126 1.00 0.00 C ATOM 341 O ARG A 21 -1.760 -17.943 -3.635 1.00 0.00 O ATOM 342 CB ARG A 21 1.112 -16.342 -3.324 1.00 0.00 C ATOM 343 CG ARG A 21 2.011 -15.161 -2.995 1.00 0.00 C ATOM 344 CD ARG A 21 3.475 -15.566 -2.957 1.00 0.00 C ATOM 345 NE ARG A 21 4.298 -14.578 -2.261 1.00 0.00 N ATOM 346 CZ ARG A 21 5.627 -14.501 -2.368 1.00 0.00 C ATOM 347 NH1 ARG A 21 6.292 -15.352 -3.143 1.00 0.00 N ATOM 348 NH2 ARG A 21 6.292 -13.567 -1.696 1.00 0.00 N ATOM 0 H ARG A 21 -0.294 -16.705 -1.262 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.544 -14.997 -3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.334 -17.160 -2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.343 -16.696 -4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.869 -14.377 -3.739 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.724 -14.742 -2.031 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.571 -16.532 -2.461 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.843 -15.692 -3.975 1.00 0.00 H new ATOM 0 HE ARG A 21 3.828 -13.905 -1.656 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.787 -16.071 -3.662 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.307 -15.286 -3.219 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.787 -12.911 -1.100 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.307 -13.506 -1.776 1.00 0.00 H new ATOM 362 N PRO A 22 -1.220 -16.719 -5.451 1.00 0.00 N ATOM 363 CA PRO A 22 -0.542 -15.576 -6.078 1.00 0.00 C ATOM 364 C PRO A 22 -1.256 -14.249 -5.818 1.00 0.00 C ATOM 365 O PRO A 22 -2.453 -14.224 -5.524 1.00 0.00 O ATOM 366 CB PRO A 22 -0.584 -15.918 -7.567 1.00 0.00 C ATOM 367 CG PRO A 22 -1.802 -16.761 -7.723 1.00 0.00 C ATOM 368 CD PRO A 22 -1.940 -17.541 -6.444 1.00 0.00 C ATOM 0 HA PRO A 22 0.463 -15.435 -5.681 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.643 -15.018 -8.179 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.313 -16.455 -7.876 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.683 -16.143 -7.899 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.705 -17.430 -8.578 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.986 -17.676 -6.169 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.503 -18.536 -6.533 1.00 0.00 H new ATOM 376 N VAL A 23 -0.511 -13.151 -5.929 1.00 0.00 N ATOM 377 CA VAL A 23 -1.066 -11.819 -5.707 1.00 0.00 C ATOM 378 C VAL A 23 -0.531 -10.819 -6.733 1.00 0.00 C ATOM 379 O VAL A 23 0.653 -10.837 -7.078 1.00 0.00 O ATOM 380 CB VAL A 23 -0.757 -11.320 -4.276 1.00 0.00 C ATOM 381 CG1 VAL A 23 0.743 -11.187 -4.055 1.00 0.00 C ATOM 382 CG2 VAL A 23 -1.460 -9.999 -4.004 1.00 0.00 C ATOM 0 H VAL A 23 0.480 -13.158 -6.172 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.147 -11.894 -5.826 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.136 -12.061 -3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.932 -10.835 -3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.219 -12.157 -4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.154 -10.474 -4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.229 -9.666 -2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.118 -9.251 -4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.537 -10.132 -4.105 1.00 0.00 H new ATOM 392 N LYS A 24 -1.417 -9.948 -7.217 1.00 0.00 N ATOM 393 CA LYS A 24 -1.047 -8.937 -8.203 1.00 0.00 C ATOM 394 C LYS A 24 -1.293 -7.534 -7.656 1.00 0.00 C ATOM 395 O LYS A 24 -2.141 -7.345 -6.781 1.00 0.00 O ATOM 396 CB LYS A 24 -1.844 -9.142 -9.495 1.00 0.00 C ATOM 397 CG LYS A 24 -1.064 -9.858 -10.585 1.00 0.00 C ATOM 398 CD LYS A 24 -1.181 -11.370 -10.453 1.00 0.00 C ATOM 399 CE LYS A 24 -0.481 -12.088 -11.598 1.00 0.00 C ATOM 400 NZ LYS A 24 -0.047 -13.462 -11.214 1.00 0.00 N ATOM 0 H LYS A 24 -2.398 -9.924 -6.940 1.00 0.00 H new ATOM 0 HA LYS A 24 0.016 -9.043 -8.420 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.745 -9.713 -9.270 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.168 -8.171 -9.870 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.434 -9.547 -11.562 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.015 -9.567 -10.534 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.748 -11.688 -9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.233 -11.654 -10.434 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.153 -12.146 -12.454 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.387 -11.508 -11.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.425 -13.916 -12.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.615 -13.406 -10.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.877 -14.024 -10.938 1.00 0.00 H new ATOM 414 N TYR A 25 -0.555 -6.553 -8.179 1.00 0.00 N ATOM 415 CA TYR A 25 -0.704 -5.164 -7.741 1.00 0.00 C ATOM 416 C TYR A 25 -2.160 -4.709 -7.859 1.00 0.00 C ATOM 417 O TYR A 25 -2.696 -4.086 -6.942 1.00 0.00 O ATOM 418 CB TYR A 25 0.201 -4.234 -8.562 1.00 0.00 C ATOM 419 CG TYR A 25 0.075 -2.767 -8.185 1.00 0.00 C ATOM 420 CD1 TYR A 25 0.134 -2.363 -6.855 1.00 0.00 C ATOM 421 CD2 TYR A 25 -0.107 -1.793 -9.159 1.00 0.00 C ATOM 422 CE1 TYR A 25 0.009 -1.032 -6.508 1.00 0.00 C ATOM 423 CE2 TYR A 25 -0.234 -0.460 -8.819 1.00 0.00 C ATOM 424 CZ TYR A 25 -0.172 -0.085 -7.493 1.00 0.00 C ATOM 425 OH TYR A 25 -0.303 1.242 -7.150 1.00 0.00 O ATOM 0 H TYR A 25 0.149 -6.694 -8.903 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.405 -5.111 -6.694 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.238 -4.545 -8.434 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.038 -4.350 -9.619 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.280 -3.102 -6.081 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.150 -2.083 -10.199 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.053 -0.735 -5.471 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.381 0.285 -9.587 1.00 0.00 H new ATOM 0 HH TYR A 25 0.550 1.575 -6.800 1.00 0.00 H new ATOM 435 N GLU A 26 -2.791 -5.028 -8.990 1.00 0.00 N ATOM 436 CA GLU A 26 -4.185 -4.657 -9.229 1.00 0.00 C ATOM 437 C GLU A 26 -5.112 -5.314 -8.211 1.00 0.00 C ATOM 438 O GLU A 26 -6.040 -4.681 -7.702 1.00 0.00 O ATOM 439 CB GLU A 26 -4.617 -5.057 -10.643 1.00 0.00 C ATOM 440 CG GLU A 26 -5.212 -3.905 -11.437 1.00 0.00 C ATOM 441 CD GLU A 26 -6.727 -3.861 -11.373 1.00 0.00 C ATOM 442 OE1 GLU A 26 -7.285 -4.022 -10.268 1.00 0.00 O ATOM 443 OE2 GLU A 26 -7.356 -3.663 -12.431 1.00 0.00 O ATOM 0 H GLU A 26 -2.357 -5.543 -9.756 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.258 -3.575 -9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.755 -5.453 -11.180 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.350 -5.861 -10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.810 -2.965 -11.059 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.900 -3.989 -12.478 1.00 0.00 H new ATOM 450 N ASP A 27 -4.850 -6.586 -7.921 1.00 0.00 N ATOM 451 CA ASP A 27 -5.656 -7.342 -6.968 1.00 0.00 C ATOM 452 C ASP A 27 -5.574 -6.728 -5.576 1.00 0.00 C ATOM 453 O ASP A 27 -6.590 -6.579 -4.895 1.00 0.00 O ATOM 454 CB ASP A 27 -5.188 -8.800 -6.924 1.00 0.00 C ATOM 455 CG ASP A 27 -5.759 -9.631 -8.059 1.00 0.00 C ATOM 456 OD1 ASP A 27 -5.811 -9.128 -9.203 1.00 0.00 O ATOM 457 OD2 ASP A 27 -6.148 -10.789 -7.803 1.00 0.00 O ATOM 0 H ASP A 27 -4.083 -7.116 -8.334 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.694 -7.307 -7.297 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.099 -8.830 -6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.480 -9.243 -5.972 1.00 0.00 H new ATOM 462 N VAL A 28 -4.362 -6.366 -5.164 1.00 0.00 N ATOM 463 CA VAL A 28 -4.157 -5.760 -3.855 1.00 0.00 C ATOM 464 C VAL A 28 -4.790 -4.374 -3.795 1.00 0.00 C ATOM 465 O VAL A 28 -5.433 -4.025 -2.807 1.00 0.00 O ATOM 466 CB VAL A 28 -2.660 -5.641 -3.498 1.00 0.00 C ATOM 467 CG1 VAL A 28 -2.492 -5.206 -2.047 1.00 0.00 C ATOM 468 CG2 VAL A 28 -1.939 -6.956 -3.752 1.00 0.00 C ATOM 0 H VAL A 28 -3.512 -6.482 -5.716 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.635 -6.418 -3.130 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.213 -4.881 -4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.431 -5.127 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.970 -4.237 -1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.955 -5.942 -1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.885 -6.849 -3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.385 -7.740 -3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.029 -7.223 -4.805 1.00 0.00 H new ATOM 478 N GLU A 29 -4.604 -3.591 -4.857 1.00 0.00 N ATOM 479 CA GLU A 29 -5.156 -2.241 -4.921 1.00 0.00 C ATOM 480 C GLU A 29 -6.676 -2.250 -4.753 1.00 0.00 C ATOM 481 O GLU A 29 -7.226 -1.447 -4.000 1.00 0.00 O ATOM 482 CB GLU A 29 -4.778 -1.574 -6.246 1.00 0.00 C ATOM 483 CG GLU A 29 -4.345 -0.128 -6.090 1.00 0.00 C ATOM 484 CD GLU A 29 -5.326 0.843 -6.716 1.00 0.00 C ATOM 485 OE1 GLU A 29 -5.222 1.090 -7.934 1.00 0.00 O ATOM 486 OE2 GLU A 29 -6.204 1.347 -5.988 1.00 0.00 O ATOM 0 H GLU A 29 -4.075 -3.869 -5.684 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.729 -1.668 -4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.971 -2.139 -6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.631 -1.619 -6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.236 0.103 -5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.365 0.006 -6.547 1.00 0.00 H new ATOM 493 N HIS A 30 -7.345 -3.165 -5.452 1.00 0.00 N ATOM 494 CA HIS A 30 -8.799 -3.282 -5.374 1.00 0.00 C ATOM 495 C HIS A 30 -9.254 -3.626 -3.954 1.00 0.00 C ATOM 496 O HIS A 30 -10.231 -3.065 -3.454 1.00 0.00 O ATOM 497 CB HIS A 30 -9.297 -4.348 -6.356 1.00 0.00 C ATOM 498 CG HIS A 30 -9.905 -3.783 -7.604 1.00 0.00 C ATOM 499 ND1 HIS A 30 -9.890 -4.445 -8.813 1.00 0.00 N ATOM 500 CD2 HIS A 30 -10.551 -2.613 -7.827 1.00 0.00 C ATOM 501 CE1 HIS A 30 -10.500 -3.709 -9.724 1.00 0.00 C ATOM 502 NE2 HIS A 30 -10.911 -2.592 -9.152 1.00 0.00 N ATOM 0 H HIS A 30 -6.902 -3.837 -6.079 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.228 -2.317 -5.643 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.463 -4.995 -6.630 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -10.035 -4.974 -5.855 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.746 -1.840 -7.098 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.639 -3.975 -10.761 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -11.414 -1.837 -9.618 1.00 0.00 H new ATOM 511 N LYS A 31 -8.539 -4.551 -3.313 1.00 0.00 N ATOM 512 CA LYS A 31 -8.870 -4.969 -1.952 1.00 0.00 C ATOM 513 C LYS A 31 -8.573 -3.860 -0.944 1.00 0.00 C ATOM 514 O LYS A 31 -9.420 -3.528 -0.115 1.00 0.00 O ATOM 515 CB LYS A 31 -8.095 -6.236 -1.575 1.00 0.00 C ATOM 516 CG LYS A 31 -8.764 -7.055 -0.483 1.00 0.00 C ATOM 517 CD LYS A 31 -8.105 -6.829 0.870 1.00 0.00 C ATOM 518 CE LYS A 31 -8.449 -7.939 1.851 1.00 0.00 C ATOM 519 NZ LYS A 31 -7.513 -7.969 3.010 1.00 0.00 N ATOM 0 H LYS A 31 -7.729 -5.024 -3.714 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.939 -5.182 -1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.976 -6.857 -2.463 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.094 -5.956 -1.246 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.819 -6.789 -0.423 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.716 -8.113 -0.740 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.024 -6.775 0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.427 -5.870 1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.468 -7.801 2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.420 -8.900 1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.813 -8.706 3.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.551 -8.177 2.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.521 -7.045 3.487 1.00 0.00 H new ATOM 533 N VAL A 32 -7.368 -3.294 -1.015 1.00 0.00 N ATOM 534 CA VAL A 32 -6.965 -2.225 -0.095 1.00 0.00 C ATOM 535 C VAL A 32 -7.863 -0.998 -0.236 1.00 0.00 C ATOM 536 O VAL A 32 -8.235 -0.381 0.764 1.00 0.00 O ATOM 537 CB VAL A 32 -5.496 -1.800 -0.314 1.00 0.00 C ATOM 538 CG1 VAL A 32 -5.085 -0.743 0.703 1.00 0.00 C ATOM 539 CG2 VAL A 32 -4.570 -3.004 -0.238 1.00 0.00 C ATOM 0 H VAL A 32 -6.655 -3.555 -1.696 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.068 -2.633 0.910 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.412 -1.367 -1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.047 -0.457 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.725 0.133 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.188 -1.147 1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.541 -2.682 -0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.659 -3.470 0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.846 -3.725 -1.008 1.00 0.00 H new ATOM 549 N THR A 33 -8.210 -0.650 -1.477 1.00 0.00 N ATOM 550 CA THR A 33 -9.067 0.502 -1.737 1.00 0.00 C ATOM 551 C THR A 33 -10.417 0.355 -1.030 1.00 0.00 C ATOM 552 O THR A 33 -10.929 1.316 -0.471 1.00 0.00 O ATOM 553 CB THR A 33 -9.270 0.696 -3.245 1.00 0.00 C ATOM 554 OG1 THR A 33 -8.067 1.119 -3.854 1.00 0.00 O ATOM 555 CG2 THR A 33 -10.329 1.720 -3.585 1.00 0.00 C ATOM 0 H THR A 33 -7.910 -1.150 -2.314 1.00 0.00 H new ATOM 0 HA THR A 33 -8.570 1.386 -1.337 1.00 0.00 H new ATOM 0 HB THR A 33 -9.594 -0.275 -3.619 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.497 0.341 -4.027 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.419 1.805 -4.668 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.285 1.408 -3.165 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.048 2.687 -3.167 1.00 0.00 H new ATOM 563 N THR A 34 -10.984 -0.849 -1.052 1.00 0.00 N ATOM 564 CA THR A 34 -12.271 -1.095 -0.397 1.00 0.00 C ATOM 565 C THR A 34 -12.132 -1.107 1.129 1.00 0.00 C ATOM 566 O THR A 34 -13.021 -0.635 1.840 1.00 0.00 O ATOM 567 CB THR A 34 -12.882 -2.416 -0.879 1.00 0.00 C ATOM 568 OG1 THR A 34 -12.964 -2.448 -2.295 1.00 0.00 O ATOM 569 CG2 THR A 34 -14.271 -2.668 -0.333 1.00 0.00 C ATOM 0 H THR A 34 -10.579 -1.665 -1.511 1.00 0.00 H new ATOM 0 HA THR A 34 -12.937 -0.277 -0.670 1.00 0.00 H new ATOM 0 HB THR A 34 -12.215 -3.193 -0.506 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.080 -2.646 -2.669 1.00 0.00 H new ATOM 0 HG21 THR A 34 -14.644 -3.619 -0.713 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.233 -2.702 0.756 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.937 -1.865 -0.648 1.00 0.00 H new ATOM 577 N VAL A 35 -11.022 -1.656 1.625 1.00 0.00 N ATOM 578 CA VAL A 35 -10.780 -1.738 3.068 1.00 0.00 C ATOM 579 C VAL A 35 -10.722 -0.353 3.716 1.00 0.00 C ATOM 580 O VAL A 35 -11.413 -0.096 4.703 1.00 0.00 O ATOM 581 CB VAL A 35 -9.466 -2.491 3.386 1.00 0.00 C ATOM 582 CG1 VAL A 35 -9.273 -2.633 4.891 1.00 0.00 C ATOM 583 CG2 VAL A 35 -9.448 -3.857 2.715 1.00 0.00 C ATOM 0 H VAL A 35 -10.277 -2.050 1.051 1.00 0.00 H new ATOM 0 HA VAL A 35 -11.622 -2.292 3.483 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.638 -1.904 2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.343 -3.165 5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.230 -1.644 5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.108 -3.191 5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.515 -4.367 2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.288 -4.451 3.075 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.528 -3.733 1.635 1.00 0.00 H new ATOM 593 N PHE A 36 -9.882 0.528 3.171 1.00 0.00 N ATOM 594 CA PHE A 36 -9.721 1.877 3.721 1.00 0.00 C ATOM 595 C PHE A 36 -10.546 2.930 2.969 1.00 0.00 C ATOM 596 O PHE A 36 -10.736 4.038 3.474 1.00 0.00 O ATOM 597 CB PHE A 36 -8.244 2.280 3.701 1.00 0.00 C ATOM 598 CG PHE A 36 -7.341 1.336 4.449 1.00 0.00 C ATOM 599 CD1 PHE A 36 -6.844 0.196 3.835 1.00 0.00 C ATOM 600 CD2 PHE A 36 -6.988 1.593 5.765 1.00 0.00 C ATOM 601 CE1 PHE A 36 -6.013 -0.669 4.520 1.00 0.00 C ATOM 602 CE2 PHE A 36 -6.156 0.731 6.452 1.00 0.00 C ATOM 603 CZ PHE A 36 -5.669 -0.401 5.829 1.00 0.00 C ATOM 0 H PHE A 36 -9.304 0.334 2.353 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.091 1.843 4.746 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.909 2.343 2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.144 3.277 4.129 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.110 -0.018 2.810 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.367 2.476 6.258 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.633 -1.554 4.032 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.886 0.942 7.476 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.019 -1.076 6.366 1.00 0.00 H new ATOM 613 N GLY A 37 -11.023 2.598 1.768 1.00 0.00 N ATOM 614 CA GLY A 37 -11.798 3.548 0.993 1.00 0.00 C ATOM 615 C GLY A 37 -10.944 4.313 -0.005 1.00 0.00 C ATOM 616 O GLY A 37 -9.872 3.850 -0.405 1.00 0.00 O ATOM 0 H GLY A 37 -10.885 1.691 1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.589 3.020 0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.284 4.253 1.668 1.00 0.00 H new ATOM 620 N GLN A 38 -11.421 5.486 -0.404 1.00 0.00 N ATOM 621 CA GLN A 38 -10.705 6.331 -1.360 1.00 0.00 C ATOM 622 C GLN A 38 -10.895 7.814 -1.033 1.00 0.00 C ATOM 623 O GLN A 38 -11.853 8.186 -0.352 1.00 0.00 O ATOM 624 CB GLN A 38 -11.190 6.048 -2.786 1.00 0.00 C ATOM 625 CG GLN A 38 -10.192 5.269 -3.629 1.00 0.00 C ATOM 626 CD GLN A 38 -10.212 5.680 -5.090 1.00 0.00 C ATOM 627 OE1 GLN A 38 -9.343 6.424 -5.548 1.00 0.00 O ATOM 628 NE2 GLN A 38 -11.207 5.200 -5.828 1.00 0.00 N ATOM 0 H GLN A 38 -12.305 5.878 -0.080 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.643 6.095 -1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -12.125 5.490 -2.738 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.409 6.995 -3.280 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.190 5.418 -3.228 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -10.411 4.204 -3.552 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.905 4.587 -5.407 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.273 5.445 -6.816 1.00 0.00 H new ATOM 637 N PRO A 39 -9.983 8.686 -1.511 1.00 0.00 N ATOM 638 CA PRO A 39 -8.830 8.294 -2.323 1.00 0.00 C ATOM 639 C PRO A 39 -7.596 7.963 -1.483 1.00 0.00 C ATOM 640 O PRO A 39 -7.228 8.718 -0.578 1.00 0.00 O ATOM 641 CB PRO A 39 -8.589 9.548 -3.160 1.00 0.00 C ATOM 642 CG PRO A 39 -8.993 10.683 -2.273 1.00 0.00 C ATOM 643 CD PRO A 39 -10.012 10.143 -1.294 1.00 0.00 C ATOM 0 HA PRO A 39 -9.014 7.388 -2.900 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.543 9.631 -3.457 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.180 9.532 -4.076 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.128 11.086 -1.746 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.417 11.498 -2.860 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.752 10.398 -0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.003 10.554 -1.483 1.00 0.00 H new ATOM 651 N LEU A 40 -6.958 6.831 -1.787 1.00 0.00 N ATOM 652 CA LEU A 40 -5.763 6.402 -1.064 1.00 0.00 C ATOM 653 C LEU A 40 -4.715 5.839 -2.023 1.00 0.00 C ATOM 654 O LEU A 40 -5.039 5.059 -2.920 1.00 0.00 O ATOM 655 CB LEU A 40 -6.126 5.350 -0.012 1.00 0.00 C ATOM 656 CG LEU A 40 -7.006 5.853 1.136 1.00 0.00 C ATOM 657 CD1 LEU A 40 -7.715 4.690 1.811 1.00 0.00 C ATOM 658 CD2 LEU A 40 -6.177 6.632 2.146 1.00 0.00 C ATOM 0 H LEU A 40 -7.250 6.196 -2.530 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.340 7.274 -0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.639 4.526 -0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.205 4.946 0.408 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.759 6.524 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.336 5.065 2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.342 4.175 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.976 3.995 2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.821 6.981 2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.400 5.986 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.715 7.488 1.655 1.00 0.00 H new ATOM 670 N ASP A 41 -3.456 6.241 -1.826 1.00 0.00 N ATOM 671 CA ASP A 41 -2.356 5.776 -2.671 1.00 0.00 C ATOM 672 C ASP A 41 -1.367 4.932 -1.869 1.00 0.00 C ATOM 673 O ASP A 41 -1.045 5.259 -0.723 1.00 0.00 O ATOM 674 CB ASP A 41 -1.632 6.969 -3.304 1.00 0.00 C ATOM 675 CG ASP A 41 -0.961 6.611 -4.617 1.00 0.00 C ATOM 676 OD1 ASP A 41 0.170 6.080 -4.581 1.00 0.00 O ATOM 677 OD2 ASP A 41 -1.567 6.860 -5.679 1.00 0.00 O ATOM 0 H ASP A 41 -3.175 6.887 -1.089 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.777 5.153 -3.460 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.346 7.775 -3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.883 7.346 -2.608 1.00 0.00 H new ATOM 682 N LEU A 42 -0.882 3.849 -2.480 1.00 0.00 N ATOM 683 CA LEU A 42 0.077 2.960 -1.823 1.00 0.00 C ATOM 684 C LEU A 42 1.494 3.527 -1.907 1.00 0.00 C ATOM 685 O LEU A 42 2.103 3.549 -2.980 1.00 0.00 O ATOM 686 CB LEU A 42 0.036 1.565 -2.456 1.00 0.00 C ATOM 687 CG LEU A 42 -1.108 0.665 -1.980 1.00 0.00 C ATOM 688 CD1 LEU A 42 -1.560 -0.263 -3.099 1.00 0.00 C ATOM 689 CD2 LEU A 42 -0.684 -0.135 -0.756 1.00 0.00 C ATOM 0 H LEU A 42 -1.137 3.567 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.204 2.882 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.037 1.677 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.981 1.063 -2.251 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.950 1.298 -1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.373 -0.895 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.906 0.330 -3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.725 -0.890 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.509 -0.769 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.174 -0.758 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.413 0.548 0.049 1.00 0.00 H new ATOM 701 N HIS A 43 2.014 3.987 -0.768 1.00 0.00 N ATOM 702 CA HIS A 43 3.356 4.558 -0.709 1.00 0.00 C ATOM 703 C HIS A 43 4.288 3.688 0.134 1.00 0.00 C ATOM 704 O HIS A 43 4.041 3.461 1.318 1.00 0.00 O ATOM 705 CB HIS A 43 3.300 5.977 -0.137 1.00 0.00 C ATOM 706 CG HIS A 43 3.188 7.041 -1.183 1.00 0.00 C ATOM 707 ND1 HIS A 43 2.106 7.154 -2.034 1.00 0.00 N ATOM 708 CD2 HIS A 43 4.030 8.049 -1.516 1.00 0.00 C ATOM 709 CE1 HIS A 43 2.289 8.183 -2.842 1.00 0.00 C ATOM 710 NE2 HIS A 43 3.449 8.742 -2.548 1.00 0.00 N ATOM 0 H HIS A 43 1.524 3.974 0.126 1.00 0.00 H new ATOM 0 HA HIS A 43 3.753 4.596 -1.723 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.449 6.054 0.540 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.196 6.156 0.457 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.982 8.267 -1.055 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.606 8.511 -3.612 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.848 9.557 -3.013 1.00 0.00 H new ATOM 719 N TYR A 44 5.364 3.207 -0.485 1.00 0.00 N ATOM 720 CA TYR A 44 6.337 2.368 0.207 1.00 0.00 C ATOM 721 C TYR A 44 7.421 3.221 0.864 1.00 0.00 C ATOM 722 O TYR A 44 8.018 4.085 0.221 1.00 0.00 O ATOM 723 CB TYR A 44 6.971 1.375 -0.771 1.00 0.00 C ATOM 724 CG TYR A 44 7.122 -0.020 -0.206 1.00 0.00 C ATOM 725 CD1 TYR A 44 8.164 -0.335 0.656 1.00 0.00 C ATOM 726 CD2 TYR A 44 6.218 -1.022 -0.534 1.00 0.00 C ATOM 727 CE1 TYR A 44 8.304 -1.610 1.171 1.00 0.00 C ATOM 728 CE2 TYR A 44 6.350 -2.299 -0.024 1.00 0.00 C ATOM 729 CZ TYR A 44 7.394 -2.587 0.830 1.00 0.00 C ATOM 730 OH TYR A 44 7.530 -3.858 1.340 1.00 0.00 O ATOM 0 H TYR A 44 5.583 3.385 -1.465 1.00 0.00 H new ATOM 0 HA TYR A 44 5.815 1.814 0.987 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.362 1.328 -1.674 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.952 1.746 -1.067 1.00 0.00 H new ATOM 0 HD1 TYR A 44 8.877 0.429 0.929 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.397 -0.799 -1.200 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.122 -1.839 1.837 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.640 -3.067 -0.292 1.00 0.00 H new ATOM 0 HH TYR A 44 7.637 -4.496 0.604 1.00 0.00 H new ATOM 740 N MET A 45 7.671 2.970 2.146 1.00 0.00 N ATOM 741 CA MET A 45 8.685 3.711 2.890 1.00 0.00 C ATOM 742 C MET A 45 9.679 2.754 3.537 1.00 0.00 C ATOM 743 O MET A 45 9.306 1.940 4.380 1.00 0.00 O ATOM 744 CB MET A 45 8.023 4.581 3.960 1.00 0.00 C ATOM 745 CG MET A 45 7.820 6.026 3.531 1.00 0.00 C ATOM 746 SD MET A 45 7.263 7.080 4.883 1.00 0.00 S ATOM 747 CE MET A 45 8.658 6.972 6.000 1.00 0.00 C ATOM 0 H MET A 45 7.185 2.258 2.692 1.00 0.00 H new ATOM 0 HA MET A 45 9.224 4.354 2.194 1.00 0.00 H new ATOM 0 HB2 MET A 45 7.057 4.149 4.221 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.635 4.561 4.862 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.756 6.417 3.132 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.089 6.062 2.723 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.678 7.851 6.644 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.565 6.076 6.613 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.582 6.923 5.424 1.00 0.00 H new ATOM 757 N ASN A 46 10.945 2.857 3.138 1.00 0.00 N ATOM 758 CA ASN A 46 11.993 1.996 3.684 1.00 0.00 C ATOM 759 C ASN A 46 12.443 2.493 5.054 1.00 0.00 C ATOM 760 O ASN A 46 12.428 1.744 6.030 1.00 0.00 O ATOM 761 CB ASN A 46 13.188 1.938 2.728 1.00 0.00 C ATOM 762 CG ASN A 46 13.088 0.788 1.738 1.00 0.00 C ATOM 763 OD1 ASN A 46 12.164 -0.026 1.802 1.00 0.00 O ATOM 764 ND2 ASN A 46 14.045 0.711 0.823 1.00 0.00 N ATOM 0 H ASN A 46 11.270 3.526 2.440 1.00 0.00 H new ATOM 0 HA ASN A 46 11.583 0.993 3.798 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.258 2.878 2.181 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.107 1.837 3.306 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.035 -0.043 0.136 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.791 1.406 0.806 1.00 0.00 H new ATOM 771 N ASN A 47 12.833 3.764 5.113 1.00 0.00 N ATOM 772 CA ASN A 47 13.284 4.383 6.357 1.00 0.00 C ATOM 773 C ASN A 47 13.497 5.878 6.158 1.00 0.00 C ATOM 774 O ASN A 47 12.838 6.700 6.796 1.00 0.00 O ATOM 775 CB ASN A 47 14.579 3.724 6.853 1.00 0.00 C ATOM 776 CG ASN A 47 14.344 2.796 8.035 1.00 0.00 C ATOM 777 OD1 ASN A 47 13.249 2.748 8.596 1.00 0.00 O ATOM 778 ND2 ASN A 47 15.374 2.051 8.423 1.00 0.00 N ATOM 0 H ASN A 47 12.846 4.389 4.307 1.00 0.00 H new ATOM 0 HA ASN A 47 12.512 4.236 7.112 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.032 3.161 6.037 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.291 4.498 7.139 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.273 1.411 9.211 1.00 0.00 H new ATOM 0 HD22 ASN A 47 16.266 2.119 7.933 1.00 0.00 H new ATOM 785 N GLU A 48 14.418 6.218 5.259 1.00 0.00 N ATOM 786 CA GLU A 48 14.728 7.611 4.956 1.00 0.00 C ATOM 787 C GLU A 48 14.188 8.019 3.578 1.00 0.00 C ATOM 788 O GLU A 48 13.943 9.202 3.332 1.00 0.00 O ATOM 789 CB GLU A 48 16.241 7.832 5.009 1.00 0.00 C ATOM 790 CG GLU A 48 16.710 8.524 6.281 1.00 0.00 C ATOM 791 CD GLU A 48 17.941 9.387 6.068 1.00 0.00 C ATOM 792 OE1 GLU A 48 18.016 10.082 5.030 1.00 0.00 O ATOM 793 OE2 GLU A 48 18.831 9.372 6.943 1.00 0.00 O ATOM 0 H GLU A 48 14.965 5.542 4.725 1.00 0.00 H new ATOM 0 HA GLU A 48 14.242 8.235 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.744 6.869 4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.543 8.428 4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.902 9.143 6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.928 7.771 7.039 1.00 0.00 H new ATOM 800 N LEU A 49 14.008 7.041 2.683 1.00 0.00 N ATOM 801 CA LEU A 49 13.506 7.313 1.339 1.00 0.00 C ATOM 802 C LEU A 49 12.093 6.763 1.150 1.00 0.00 C ATOM 803 O LEU A 49 11.719 5.758 1.758 1.00 0.00 O ATOM 804 CB LEU A 49 14.445 6.708 0.292 1.00 0.00 C ATOM 805 CG LEU A 49 14.685 7.577 -0.946 1.00 0.00 C ATOM 806 CD1 LEU A 49 16.132 7.473 -1.403 1.00 0.00 C ATOM 807 CD2 LEU A 49 13.739 7.180 -2.071 1.00 0.00 C ATOM 0 H LEU A 49 14.203 6.057 2.868 1.00 0.00 H new ATOM 0 HA LEU A 49 13.469 8.395 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.406 6.502 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.036 5.750 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 49 14.484 8.615 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 49 16.281 8.098 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.791 7.810 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 49 16.362 6.437 -1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.925 7.809 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.906 6.136 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.708 7.311 -1.743 1.00 0.00 H new ATOM 819 N SER A 50 11.319 7.432 0.294 1.00 0.00 N ATOM 820 CA SER A 50 9.948 7.020 0.008 1.00 0.00 C ATOM 821 C SER A 50 9.797 6.595 -1.453 1.00 0.00 C ATOM 822 O SER A 50 10.072 7.375 -2.368 1.00 0.00 O ATOM 823 CB SER A 50 8.972 8.157 0.323 1.00 0.00 C ATOM 824 OG SER A 50 7.756 7.652 0.846 1.00 0.00 O ATOM 0 H SER A 50 11.621 8.264 -0.214 1.00 0.00 H new ATOM 0 HA SER A 50 9.716 6.165 0.642 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.425 8.841 1.041 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.772 8.731 -0.582 1.00 0.00 H new ATOM 0 HG SER A 50 7.150 8.397 1.041 1.00 0.00 H new ATOM 830 N ILE A 51 9.352 5.356 -1.659 1.00 0.00 N ATOM 831 CA ILE A 51 9.153 4.818 -3.005 1.00 0.00 C ATOM 832 C ILE A 51 7.673 4.547 -3.267 1.00 0.00 C ATOM 833 O ILE A 51 6.997 3.920 -2.453 1.00 0.00 O ATOM 834 CB ILE A 51 9.943 3.508 -3.217 1.00 0.00 C ATOM 835 CG1 ILE A 51 11.400 3.670 -2.766 1.00 0.00 C ATOM 836 CG2 ILE A 51 9.879 3.071 -4.675 1.00 0.00 C ATOM 837 CD1 ILE A 51 12.169 4.721 -3.543 1.00 0.00 C ATOM 0 H ILE A 51 9.122 4.704 -0.909 1.00 0.00 H new ATOM 0 HA ILE A 51 9.520 5.570 -3.703 1.00 0.00 H new ATOM 0 HB ILE A 51 9.482 2.732 -2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.416 3.930 -1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.910 2.712 -2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.442 2.146 -4.803 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.840 2.906 -4.960 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.309 3.848 -5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.190 4.777 -3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.186 4.453 -4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.684 5.690 -3.423 1.00 0.00 H new ATOM 849 N LEU A 52 7.174 5.014 -4.409 1.00 0.00 N ATOM 850 CA LEU A 52 5.772 4.810 -4.773 1.00 0.00 C ATOM 851 C LEU A 52 5.610 3.578 -5.658 1.00 0.00 C ATOM 852 O LEU A 52 6.316 3.421 -6.656 1.00 0.00 O ATOM 853 CB LEU A 52 5.212 6.041 -5.495 1.00 0.00 C ATOM 854 CG LEU A 52 3.686 6.186 -5.443 1.00 0.00 C ATOM 855 CD1 LEU A 52 3.260 7.583 -5.869 1.00 0.00 C ATOM 856 CD2 LEU A 52 3.016 5.134 -6.316 1.00 0.00 C ATOM 0 H LEU A 52 7.717 5.535 -5.097 1.00 0.00 H new ATOM 0 HA LEU A 52 5.212 4.655 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.662 6.934 -5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.523 6.004 -6.539 1.00 0.00 H new ATOM 0 HG LEU A 52 3.367 6.032 -4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.174 7.662 -5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.705 8.319 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.595 7.770 -6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.934 5.254 -6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.346 5.253 -7.348 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.288 4.140 -5.961 1.00 0.00 H new ATOM 868 N LEU A 53 4.664 2.710 -5.295 1.00 0.00 N ATOM 869 CA LEU A 53 4.400 1.499 -6.065 1.00 0.00 C ATOM 870 C LEU A 53 3.504 1.814 -7.261 1.00 0.00 C ATOM 871 O LEU A 53 2.281 1.850 -7.137 1.00 0.00 O ATOM 872 CB LEU A 53 3.739 0.425 -5.189 1.00 0.00 C ATOM 873 CG LEU A 53 4.358 0.232 -3.800 1.00 0.00 C ATOM 874 CD1 LEU A 53 3.270 0.050 -2.752 1.00 0.00 C ATOM 875 CD2 LEU A 53 5.310 -0.957 -3.800 1.00 0.00 C ATOM 0 H LEU A 53 4.070 2.825 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 53 5.354 1.115 -6.425 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.686 0.679 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.778 -0.526 -5.720 1.00 0.00 H new ATOM 0 HG LEU A 53 4.928 1.126 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.728 -0.086 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.630 0.932 -2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.671 -0.827 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.740 -1.079 -2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.764 -1.860 -4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.108 -0.784 -4.522 1.00 0.00 H new ATOM 887 N LYS A 54 4.121 2.042 -8.417 1.00 0.00 N ATOM 888 CA LYS A 54 3.376 2.353 -9.635 1.00 0.00 C ATOM 889 C LYS A 54 2.912 1.077 -10.338 1.00 0.00 C ATOM 890 O LYS A 54 1.820 1.034 -10.906 1.00 0.00 O ATOM 891 CB LYS A 54 4.232 3.198 -10.583 1.00 0.00 C ATOM 892 CG LYS A 54 3.564 4.496 -11.012 1.00 0.00 C ATOM 893 CD LYS A 54 4.495 5.688 -10.838 1.00 0.00 C ATOM 894 CE LYS A 54 3.761 7.005 -11.044 1.00 0.00 C ATOM 895 NZ LYS A 54 2.924 7.373 -9.865 1.00 0.00 N ATOM 0 H LYS A 54 5.134 2.018 -8.537 1.00 0.00 H new ATOM 0 HA LYS A 54 2.493 2.925 -9.352 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.179 3.430 -10.095 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.466 2.609 -11.470 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.258 4.421 -12.056 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.659 4.652 -10.425 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.932 5.666 -9.840 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.318 5.614 -11.548 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.485 7.797 -11.235 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.128 6.932 -11.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.579 8.348 -9.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.114 6.724 -9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.495 7.304 -8.999 1.00 0.00 H new ATOM 909 N ASN A 55 3.747 0.036 -10.287 1.00 0.00 N ATOM 910 CA ASN A 55 3.422 -1.244 -10.913 1.00 0.00 C ATOM 911 C ASN A 55 3.961 -2.409 -10.085 1.00 0.00 C ATOM 912 O ASN A 55 4.582 -2.204 -9.039 1.00 0.00 O ATOM 913 CB ASN A 55 3.993 -1.308 -12.336 1.00 0.00 C ATOM 914 CG ASN A 55 3.147 -0.536 -13.334 1.00 0.00 C ATOM 915 OD1 ASN A 55 1.926 -0.687 -13.375 1.00 0.00 O ATOM 916 ND2 ASN A 55 3.793 0.291 -14.149 1.00 0.00 N ATOM 0 H ASN A 55 4.653 0.056 -9.818 1.00 0.00 H new ATOM 0 HA ASN A 55 2.336 -1.326 -10.962 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.007 -0.907 -12.336 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.062 -2.349 -12.651 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.276 0.831 -14.843 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.806 0.386 -14.081 1.00 0.00 H new ATOM 923 N GLN A 56 3.727 -3.632 -10.566 1.00 0.00 N ATOM 924 CA GLN A 56 4.197 -4.833 -9.880 1.00 0.00 C ATOM 925 C GLN A 56 5.718 -4.806 -9.718 1.00 0.00 C ATOM 926 O GLN A 56 6.250 -5.307 -8.727 1.00 0.00 O ATOM 927 CB GLN A 56 3.778 -6.086 -10.656 1.00 0.00 C ATOM 928 CG GLN A 56 4.142 -7.388 -9.962 1.00 0.00 C ATOM 929 CD GLN A 56 3.001 -7.942 -9.132 1.00 0.00 C ATOM 930 OE1 GLN A 56 1.985 -8.384 -9.668 1.00 0.00 O ATOM 931 NE2 GLN A 56 3.160 -7.918 -7.814 1.00 0.00 N ATOM 0 H GLN A 56 3.214 -3.815 -11.429 1.00 0.00 H new ATOM 0 HA GLN A 56 3.743 -4.858 -8.889 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.700 -6.059 -10.816 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.247 -6.066 -11.640 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.434 -8.125 -10.710 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.008 -7.224 -9.320 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.018 -7.543 -7.411 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.424 -8.275 -7.205 1.00 0.00 H new ATOM 940 N ASP A 57 6.407 -4.215 -10.698 1.00 0.00 N ATOM 941 CA ASP A 57 7.866 -4.116 -10.671 1.00 0.00 C ATOM 942 C ASP A 57 8.354 -3.490 -9.363 1.00 0.00 C ATOM 943 O ASP A 57 9.337 -3.948 -8.777 1.00 0.00 O ATOM 944 CB ASP A 57 8.367 -3.290 -11.859 1.00 0.00 C ATOM 945 CG ASP A 57 9.792 -3.634 -12.244 1.00 0.00 C ATOM 946 OD1 ASP A 57 10.030 -4.783 -12.678 1.00 0.00 O ATOM 947 OD2 ASP A 57 10.671 -2.758 -12.113 1.00 0.00 O ATOM 0 H ASP A 57 5.975 -3.797 -11.522 1.00 0.00 H new ATOM 0 HA ASP A 57 8.269 -5.126 -10.740 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.713 -3.456 -12.715 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.306 -2.230 -11.612 1.00 0.00 H new ATOM 952 N ASP A 58 7.654 -2.448 -8.907 1.00 0.00 N ATOM 953 CA ASP A 58 8.009 -1.769 -7.663 1.00 0.00 C ATOM 954 C ASP A 58 7.845 -2.706 -6.469 1.00 0.00 C ATOM 955 O ASP A 58 8.679 -2.722 -5.560 1.00 0.00 O ATOM 956 CB ASP A 58 7.144 -0.519 -7.468 1.00 0.00 C ATOM 957 CG ASP A 58 7.553 0.626 -8.376 1.00 0.00 C ATOM 958 OD1 ASP A 58 8.702 1.101 -8.257 1.00 0.00 O ATOM 959 OD2 ASP A 58 6.719 1.051 -9.205 1.00 0.00 O ATOM 0 H ASP A 58 6.840 -2.058 -9.382 1.00 0.00 H new ATOM 0 HA ASP A 58 9.055 -1.469 -7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.101 -0.772 -7.657 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.211 -0.195 -6.429 1.00 0.00 H new ATOM 964 N LEU A 59 6.767 -3.490 -6.481 1.00 0.00 N ATOM 965 CA LEU A 59 6.493 -4.440 -5.405 1.00 0.00 C ATOM 966 C LEU A 59 7.554 -5.537 -5.360 1.00 0.00 C ATOM 967 O LEU A 59 8.009 -5.923 -4.285 1.00 0.00 O ATOM 968 CB LEU A 59 5.111 -5.072 -5.588 1.00 0.00 C ATOM 969 CG LEU A 59 3.928 -4.122 -5.398 1.00 0.00 C ATOM 970 CD1 LEU A 59 2.748 -4.566 -6.250 1.00 0.00 C ATOM 971 CD2 LEU A 59 3.537 -4.050 -3.929 1.00 0.00 C ATOM 0 H LEU A 59 6.069 -3.485 -7.225 1.00 0.00 H new ATOM 0 HA LEU A 59 6.516 -3.892 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.055 -5.500 -6.589 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.010 -5.897 -4.883 1.00 0.00 H new ATOM 0 HG LEU A 59 4.226 -3.125 -5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.914 -3.879 -6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.037 -4.566 -7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.446 -5.571 -5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.694 -3.370 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.255 -5.043 -3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.382 -3.686 -3.345 1.00 0.00 H new ATOM 983 N ASP A 60 7.945 -6.033 -6.536 1.00 0.00 N ATOM 984 CA ASP A 60 8.950 -7.092 -6.629 1.00 0.00 C ATOM 985 C ASP A 60 10.281 -6.634 -6.036 1.00 0.00 C ATOM 986 O ASP A 60 10.955 -7.399 -5.343 1.00 0.00 O ATOM 987 CB ASP A 60 9.142 -7.518 -8.091 1.00 0.00 C ATOM 988 CG ASP A 60 8.010 -8.394 -8.608 1.00 0.00 C ATOM 989 OD1 ASP A 60 6.857 -8.219 -8.154 1.00 0.00 O ATOM 990 OD2 ASP A 60 8.278 -9.255 -9.469 1.00 0.00 O ATOM 0 H ASP A 60 7.581 -5.718 -7.435 1.00 0.00 H new ATOM 0 HA ASP A 60 8.595 -7.948 -6.055 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.220 -6.628 -8.716 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.084 -8.058 -8.186 1.00 0.00 H new ATOM 995 N LYS A 61 10.643 -5.377 -6.292 1.00 0.00 N ATOM 996 CA LYS A 61 11.881 -4.813 -5.765 1.00 0.00 C ATOM 997 C LYS A 61 11.799 -4.658 -4.245 1.00 0.00 C ATOM 998 O LYS A 61 12.774 -4.912 -3.536 1.00 0.00 O ATOM 999 CB LYS A 61 12.169 -3.459 -6.417 1.00 0.00 C ATOM 1000 CG LYS A 61 12.963 -3.569 -7.710 1.00 0.00 C ATOM 1001 CD LYS A 61 12.462 -2.592 -8.760 1.00 0.00 C ATOM 1002 CE LYS A 61 13.292 -1.319 -8.778 1.00 0.00 C ATOM 1003 NZ LYS A 61 12.460 -0.114 -9.051 1.00 0.00 N ATOM 0 H LYS A 61 10.095 -4.732 -6.861 1.00 0.00 H new ATOM 0 HA LYS A 61 12.696 -5.497 -6.000 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.225 -2.954 -6.621 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.719 -2.835 -5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.017 -3.378 -7.508 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.892 -4.586 -8.096 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.496 -3.063 -9.742 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.419 -2.345 -8.560 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.796 -1.202 -7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.068 -1.403 -9.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.065 0.732 -9.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.998 -0.213 -9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.735 -0.018 -8.312 1.00 0.00 H new ATOM 1017 N ALA A 62 10.628 -4.243 -3.755 1.00 0.00 N ATOM 1018 CA ALA A 62 10.416 -4.057 -2.320 1.00 0.00 C ATOM 1019 C ALA A 62 10.493 -5.384 -1.564 1.00 0.00 C ATOM 1020 O ALA A 62 11.115 -5.463 -0.502 1.00 0.00 O ATOM 1021 CB ALA A 62 9.078 -3.381 -2.065 1.00 0.00 C ATOM 0 H ALA A 62 9.814 -4.030 -4.331 1.00 0.00 H new ATOM 0 HA ALA A 62 11.214 -3.415 -1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.935 -3.250 -0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 62 9.063 -2.407 -2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.275 -4.001 -2.465 1.00 0.00 H new ATOM 1027 N ILE A 63 9.866 -6.424 -2.114 1.00 0.00 N ATOM 1028 CA ILE A 63 9.875 -7.747 -1.486 1.00 0.00 C ATOM 1029 C ILE A 63 11.297 -8.299 -1.406 1.00 0.00 C ATOM 1030 O ILE A 63 11.682 -8.890 -0.396 1.00 0.00 O ATOM 1031 CB ILE A 63 8.981 -8.756 -2.240 1.00 0.00 C ATOM 1032 CG1 ILE A 63 7.559 -8.204 -2.394 1.00 0.00 C ATOM 1033 CG2 ILE A 63 8.956 -10.095 -1.507 1.00 0.00 C ATOM 1034 CD1 ILE A 63 6.891 -8.596 -3.694 1.00 0.00 C ATOM 0 H ILE A 63 9.347 -6.377 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 63 9.473 -7.618 -0.481 1.00 0.00 H new ATOM 0 HB ILE A 63 9.399 -8.912 -3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.950 -8.557 -1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.592 -7.117 -2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.322 -10.796 -2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.968 -10.495 -1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.560 -9.952 -0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.889 -8.169 -3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.477 -8.219 -4.532 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.825 -9.682 -3.756 1.00 0.00 H new ATOM 1046 N ASP A 64 12.072 -8.099 -2.475 1.00 0.00 N ATOM 1047 CA ASP A 64 13.453 -8.573 -2.527 1.00 0.00 C ATOM 1048 C ASP A 64 14.250 -8.093 -1.312 1.00 0.00 C ATOM 1049 O ASP A 64 15.117 -8.809 -0.811 1.00 0.00 O ATOM 1050 CB ASP A 64 14.129 -8.093 -3.815 1.00 0.00 C ATOM 1051 CG ASP A 64 15.360 -8.908 -4.164 1.00 0.00 C ATOM 1052 OD1 ASP A 64 15.209 -10.109 -4.477 1.00 0.00 O ATOM 1053 OD2 ASP A 64 16.473 -8.347 -4.125 1.00 0.00 O ATOM 0 H ASP A 64 11.764 -7.611 -3.316 1.00 0.00 H new ATOM 0 HA ASP A 64 13.434 -9.663 -2.514 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.416 -8.147 -4.638 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.410 -7.046 -3.705 1.00 0.00 H new ATOM 1058 N ILE A 65 13.946 -6.881 -0.842 1.00 0.00 N ATOM 1059 CA ILE A 65 14.633 -6.315 0.318 1.00 0.00 C ATOM 1060 C ILE A 65 14.308 -7.102 1.587 1.00 0.00 C ATOM 1061 O ILE A 65 15.200 -7.425 2.373 1.00 0.00 O ATOM 1062 CB ILE A 65 14.262 -4.830 0.538 1.00 0.00 C ATOM 1063 CG1 ILE A 65 14.394 -4.037 -0.768 1.00 0.00 C ATOM 1064 CG2 ILE A 65 15.137 -4.219 1.623 1.00 0.00 C ATOM 1065 CD1 ILE A 65 15.770 -4.118 -1.395 1.00 0.00 C ATOM 0 H ILE A 65 13.231 -6.276 -1.246 1.00 0.00 H new ATOM 0 HA ILE A 65 15.701 -6.382 0.110 1.00 0.00 H new ATOM 0 HB ILE A 65 13.222 -4.782 0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 65 13.657 -4.405 -1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 65 14.154 -2.992 -0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 65 14.863 -3.174 1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.992 -4.763 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 65 16.184 -4.282 1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 65 15.786 -3.533 -2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 65 16.510 -3.722 -0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 65 16.005 -5.158 -1.623 1.00 0.00 H new ATOM 1077 N LEU A 66 13.025 -7.409 1.773 1.00 0.00 N ATOM 1078 CA LEU A 66 12.578 -8.161 2.941 1.00 0.00 C ATOM 1079 C LEU A 66 13.114 -9.591 2.909 1.00 0.00 C ATOM 1080 O LEU A 66 13.605 -10.097 3.918 1.00 0.00 O ATOM 1081 CB LEU A 66 11.048 -8.180 3.010 1.00 0.00 C ATOM 1082 CG LEU A 66 10.387 -6.813 3.211 1.00 0.00 C ATOM 1083 CD1 LEU A 66 9.154 -6.682 2.329 1.00 0.00 C ATOM 1084 CD2 LEU A 66 10.025 -6.609 4.676 1.00 0.00 C ATOM 0 H LEU A 66 12.278 -7.148 1.129 1.00 0.00 H new ATOM 0 HA LEU A 66 12.969 -7.665 3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.664 -8.619 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.745 -8.836 3.826 1.00 0.00 H new ATOM 0 HG LEU A 66 11.097 -6.038 2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.697 -5.705 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.442 -6.785 1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.438 -7.462 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.556 -5.633 4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.331 -7.388 4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.928 -6.659 5.284 1.00 0.00 H new ATOM 1096 N ASP A 67 13.022 -10.232 1.742 1.00 0.00 N ATOM 1097 CA ASP A 67 13.504 -11.604 1.578 1.00 0.00 C ATOM 1098 C ASP A 67 15.010 -11.689 1.826 1.00 0.00 C ATOM 1099 O ASP A 67 15.490 -12.638 2.447 1.00 0.00 O ATOM 1100 CB ASP A 67 13.176 -12.127 0.176 1.00 0.00 C ATOM 1101 CG ASP A 67 12.722 -13.575 0.188 1.00 0.00 C ATOM 1102 OD1 ASP A 67 13.593 -14.469 0.188 1.00 0.00 O ATOM 1103 OD2 ASP A 67 11.496 -13.811 0.199 1.00 0.00 O ATOM 0 H ASP A 67 12.619 -9.824 0.899 1.00 0.00 H new ATOM 0 HA ASP A 67 12.996 -12.226 2.315 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.395 -11.508 -0.266 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.056 -12.031 -0.459 1.00 0.00 H new ATOM 1108 N ARG A 68 15.747 -10.687 1.340 1.00 0.00 N ATOM 1109 CA ARG A 68 17.198 -10.641 1.512 1.00 0.00 C ATOM 1110 C ARG A 68 17.575 -10.540 2.991 1.00 0.00 C ATOM 1111 O ARG A 68 18.582 -11.104 3.423 1.00 0.00 O ATOM 1112 CB ARG A 68 17.787 -9.454 0.744 1.00 0.00 C ATOM 1113 CG ARG A 68 18.190 -9.788 -0.681 1.00 0.00 C ATOM 1114 CD ARG A 68 18.479 -8.530 -1.488 1.00 0.00 C ATOM 1115 NE ARG A 68 19.803 -8.563 -2.111 1.00 0.00 N ATOM 1116 CZ ARG A 68 20.184 -7.746 -3.097 1.00 0.00 C ATOM 1117 NH1 ARG A 68 19.346 -6.833 -3.581 1.00 0.00 N ATOM 1118 NH2 ARG A 68 21.410 -7.842 -3.600 1.00 0.00 N ATOM 0 H ARG A 68 15.361 -9.897 0.824 1.00 0.00 H new ATOM 0 HA ARG A 68 17.612 -11.568 1.114 1.00 0.00 H new ATOM 0 HB2 ARG A 68 17.056 -8.646 0.725 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.659 -9.082 1.281 1.00 0.00 H new ATOM 0 HG2 ARG A 68 19.074 -10.426 -0.670 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.393 -10.355 -1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.719 -8.414 -2.261 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.408 -7.659 -0.837 1.00 0.00 H new ATOM 0 HE ARG A 68 20.475 -9.251 -1.772 1.00 0.00 H new ATOM 0 HH11 ARG A 68 18.404 -6.752 -3.199 1.00 0.00 H new ATOM 0 HH12 ARG A 68 19.646 -6.214 -4.334 1.00 0.00 H new ATOM 0 HH21 ARG A 68 22.059 -8.539 -3.233 1.00 0.00 H new ATOM 0 HH22 ARG A 68 21.703 -7.219 -4.353 1.00 0.00 H new ATOM 1132 N SER A 69 16.760 -9.822 3.763 1.00 0.00 N ATOM 1133 CA SER A 69 17.006 -9.654 5.191 1.00 0.00 C ATOM 1134 C SER A 69 16.762 -10.960 5.943 1.00 0.00 C ATOM 1135 O SER A 69 15.663 -11.517 5.893 1.00 0.00 O ATOM 1136 CB SER A 69 16.109 -8.555 5.763 1.00 0.00 C ATOM 1137 OG SER A 69 16.444 -8.274 7.111 1.00 0.00 O ATOM 0 H SER A 69 15.924 -9.348 3.421 1.00 0.00 H new ATOM 0 HA SER A 69 18.050 -9.366 5.319 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.210 -7.650 5.164 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.065 -8.864 5.701 1.00 0.00 H new ATOM 0 HG SER A 69 15.884 -8.814 7.707 1.00 0.00 H new ATOM 1143 N SER A 70 17.789 -11.442 6.646 1.00 0.00 N ATOM 1144 CA SER A 70 17.683 -12.681 7.417 1.00 0.00 C ATOM 1145 C SER A 70 16.588 -12.579 8.482 1.00 0.00 C ATOM 1146 O SER A 70 15.895 -13.557 8.763 1.00 0.00 O ATOM 1147 CB SER A 70 19.022 -13.014 8.082 1.00 0.00 C ATOM 1148 OG SER A 70 19.326 -14.395 7.963 1.00 0.00 O ATOM 0 H SER A 70 18.703 -10.993 6.697 1.00 0.00 H new ATOM 0 HA SER A 70 17.417 -13.480 6.725 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.815 -12.424 7.623 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.987 -12.736 9.135 1.00 0.00 H new ATOM 0 HG SER A 70 20.186 -14.579 8.395 1.00 0.00 H new ATOM 1154 N SER A 71 16.440 -11.388 9.071 1.00 0.00 N ATOM 1155 CA SER A 71 15.430 -11.156 10.104 1.00 0.00 C ATOM 1156 C SER A 71 14.021 -11.161 9.502 1.00 0.00 C ATOM 1157 O SER A 71 13.322 -12.173 9.566 1.00 0.00 O ATOM 1158 CB SER A 71 15.700 -9.831 10.830 1.00 0.00 C ATOM 1159 OG SER A 71 15.838 -8.762 9.908 1.00 0.00 O ATOM 0 H SER A 71 17.008 -10.570 8.849 1.00 0.00 H new ATOM 0 HA SER A 71 15.492 -11.968 10.828 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.883 -9.618 11.519 1.00 0.00 H new ATOM 0 HB3 SER A 71 16.607 -9.919 11.428 1.00 0.00 H new ATOM 0 HG SER A 71 16.008 -7.929 10.396 1.00 0.00 H new ATOM 1165 N MET A 72 13.619 -10.027 8.910 1.00 0.00 N ATOM 1166 CA MET A 72 12.300 -9.896 8.284 1.00 0.00 C ATOM 1167 C MET A 72 11.169 -10.026 9.312 1.00 0.00 C ATOM 1168 O MET A 72 11.360 -10.568 10.403 1.00 0.00 O ATOM 1169 CB MET A 72 12.133 -10.953 7.186 1.00 0.00 C ATOM 1170 CG MET A 72 11.083 -10.601 6.145 1.00 0.00 C ATOM 1171 SD MET A 72 9.590 -11.599 6.300 1.00 0.00 S ATOM 1172 CE MET A 72 9.845 -12.780 4.980 1.00 0.00 C ATOM 0 H MET A 72 14.193 -9.186 8.853 1.00 0.00 H new ATOM 0 HA MET A 72 12.238 -8.900 7.845 1.00 0.00 H new ATOM 0 HB2 MET A 72 13.091 -11.098 6.687 1.00 0.00 H new ATOM 0 HB3 MET A 72 11.867 -11.904 7.648 1.00 0.00 H new ATOM 0 HG2 MET A 72 10.822 -9.547 6.240 1.00 0.00 H new ATOM 0 HG3 MET A 72 11.504 -10.737 5.149 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.004 -13.472 4.943 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.922 -12.252 4.029 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.765 -13.336 5.162 1.00 0.00 H new ATOM 1182 N LYS A 73 9.986 -9.525 8.951 1.00 0.00 N ATOM 1183 CA LYS A 73 8.821 -9.591 9.836 1.00 0.00 C ATOM 1184 C LYS A 73 7.533 -9.240 9.089 1.00 0.00 C ATOM 1185 O LYS A 73 6.611 -10.054 9.014 1.00 0.00 O ATOM 1186 CB LYS A 73 9.005 -8.666 11.050 1.00 0.00 C ATOM 1187 CG LYS A 73 9.657 -7.329 10.723 1.00 0.00 C ATOM 1188 CD LYS A 73 8.715 -6.166 10.992 1.00 0.00 C ATOM 1189 CE LYS A 73 9.362 -5.127 11.895 1.00 0.00 C ATOM 1190 NZ LYS A 73 8.969 -5.302 13.321 1.00 0.00 N ATOM 0 H LYS A 73 9.809 -9.071 8.055 1.00 0.00 H new ATOM 0 HA LYS A 73 8.735 -10.618 10.191 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.031 -8.481 11.503 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.611 -9.180 11.796 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.562 -7.210 11.318 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.960 -7.318 9.676 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.428 -5.702 10.048 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.801 -6.536 11.457 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.446 -5.196 11.807 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.078 -4.129 11.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.432 -4.573 13.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.937 -5.211 13.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.263 -6.244 13.649 1.00 0.00 H new ATOM 1204 N SER A 74 7.478 -8.024 8.536 1.00 0.00 N ATOM 1205 CA SER A 74 6.309 -7.561 7.796 1.00 0.00 C ATOM 1206 C SER A 74 6.701 -6.469 6.801 1.00 0.00 C ATOM 1207 O SER A 74 7.849 -6.022 6.776 1.00 0.00 O ATOM 1208 CB SER A 74 5.237 -7.026 8.760 1.00 0.00 C ATOM 1209 OG SER A 74 5.133 -7.830 9.923 1.00 0.00 O ATOM 0 H SER A 74 8.235 -7.343 8.590 1.00 0.00 H new ATOM 0 HA SER A 74 5.899 -8.408 7.247 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.481 -6.003 9.045 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.273 -6.994 8.252 1.00 0.00 H new ATOM 0 HG SER A 74 4.266 -7.673 10.353 1.00 0.00 H new ATOM 1215 N LEU A 75 5.738 -6.037 5.985 1.00 0.00 N ATOM 1216 CA LEU A 75 5.983 -4.995 4.993 1.00 0.00 C ATOM 1217 C LEU A 75 5.662 -3.621 5.574 1.00 0.00 C ATOM 1218 O LEU A 75 4.603 -3.423 6.173 1.00 0.00 O ATOM 1219 CB LEU A 75 5.144 -5.240 3.736 1.00 0.00 C ATOM 1220 CG LEU A 75 5.639 -6.369 2.828 1.00 0.00 C ATOM 1221 CD1 LEU A 75 5.145 -7.718 3.328 1.00 0.00 C ATOM 1222 CD2 LEU A 75 5.191 -6.134 1.391 1.00 0.00 C ATOM 0 H LEU A 75 4.783 -6.394 5.993 1.00 0.00 H new ATOM 0 HA LEU A 75 7.038 -5.025 4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.121 -5.462 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.111 -4.318 3.156 1.00 0.00 H new ATOM 0 HG LEU A 75 6.729 -6.375 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.508 -8.506 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.517 -7.890 4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.055 -7.726 3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.552 -6.946 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.102 -6.099 1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.598 -5.188 1.033 1.00 0.00 H new ATOM 1234 N ARG A 76 6.585 -2.675 5.397 1.00 0.00 N ATOM 1235 CA ARG A 76 6.397 -1.320 5.913 1.00 0.00 C ATOM 1236 C ARG A 76 5.831 -0.392 4.837 1.00 0.00 C ATOM 1237 O ARG A 76 6.543 0.450 4.281 1.00 0.00 O ATOM 1238 CB ARG A 76 7.715 -0.762 6.471 1.00 0.00 C ATOM 1239 CG ARG A 76 8.915 -0.943 5.550 1.00 0.00 C ATOM 1240 CD ARG A 76 10.148 -0.245 6.101 1.00 0.00 C ATOM 1241 NE ARG A 76 10.596 -0.828 7.366 1.00 0.00 N ATOM 1242 CZ ARG A 76 10.236 -0.375 8.573 1.00 0.00 C ATOM 1243 NH1 ARG A 76 9.416 0.669 8.692 1.00 0.00 N ATOM 1244 NH2 ARG A 76 10.698 -0.972 9.667 1.00 0.00 N ATOM 0 H ARG A 76 7.465 -2.821 4.903 1.00 0.00 H new ATOM 0 HA ARG A 76 5.673 -1.371 6.727 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.587 0.301 6.677 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.927 -1.248 7.423 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.122 -2.006 5.425 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.681 -0.545 4.563 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.954 -0.305 5.370 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.929 0.813 6.248 1.00 0.00 H new ATOM 0 HE ARG A 76 11.223 -1.631 7.325 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.056 1.132 7.858 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.149 1.005 9.617 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.325 -1.773 9.585 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.426 -0.630 10.588 1.00 0.00 H new ATOM 1258 N ILE A 77 4.539 -0.555 4.554 1.00 0.00 N ATOM 1259 CA ILE A 77 3.860 0.262 3.554 1.00 0.00 C ATOM 1260 C ILE A 77 2.983 1.321 4.222 1.00 0.00 C ATOM 1261 O ILE A 77 2.179 1.009 5.104 1.00 0.00 O ATOM 1262 CB ILE A 77 2.988 -0.601 2.615 1.00 0.00 C ATOM 1263 CG1 ILE A 77 3.776 -1.815 2.110 1.00 0.00 C ATOM 1264 CG2 ILE A 77 2.484 0.235 1.445 1.00 0.00 C ATOM 1265 CD1 ILE A 77 2.944 -2.781 1.293 1.00 0.00 C ATOM 0 H ILE A 77 3.942 -1.248 5.006 1.00 0.00 H new ATOM 0 HA ILE A 77 4.633 0.752 2.962 1.00 0.00 H new ATOM 0 HB ILE A 77 2.128 -0.964 3.178 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.613 -1.468 1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.198 -2.345 2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.871 -0.386 0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.887 1.065 1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.333 0.624 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.567 -3.615 0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.122 -3.157 1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.543 -2.267 0.419 1.00 0.00 H new ATOM 1277 N LEU A 78 3.147 2.573 3.798 1.00 0.00 N ATOM 1278 CA LEU A 78 2.378 3.684 4.355 1.00 0.00 C ATOM 1279 C LEU A 78 1.431 4.275 3.312 1.00 0.00 C ATOM 1280 O LEU A 78 1.872 4.788 2.283 1.00 0.00 O ATOM 1281 CB LEU A 78 3.325 4.768 4.877 1.00 0.00 C ATOM 1282 CG LEU A 78 2.719 5.713 5.917 1.00 0.00 C ATOM 1283 CD1 LEU A 78 3.755 6.090 6.967 1.00 0.00 C ATOM 1284 CD2 LEU A 78 2.159 6.961 5.246 1.00 0.00 C ATOM 0 H LEU A 78 3.807 2.844 3.069 1.00 0.00 H new ATOM 0 HA LEU A 78 1.778 3.302 5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.200 4.285 5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.676 5.360 4.032 1.00 0.00 H new ATOM 0 HG LEU A 78 1.900 5.194 6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.305 6.762 7.697 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.107 5.190 7.471 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.596 6.588 6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.733 7.620 6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.959 7.482 4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.384 6.675 4.535 1.00 0.00 H new ATOM 1296 N LEU A 79 0.129 4.210 3.587 1.00 0.00 N ATOM 1297 CA LEU A 79 -0.875 4.752 2.672 1.00 0.00 C ATOM 1298 C LEU A 79 -1.425 6.077 3.197 1.00 0.00 C ATOM 1299 O LEU A 79 -1.797 6.185 4.366 1.00 0.00 O ATOM 1300 CB LEU A 79 -2.018 3.750 2.461 1.00 0.00 C ATOM 1301 CG LEU A 79 -2.766 3.322 3.730 1.00 0.00 C ATOM 1302 CD1 LEU A 79 -4.082 4.074 3.859 1.00 0.00 C ATOM 1303 CD2 LEU A 79 -3.008 1.818 3.725 1.00 0.00 C ATOM 0 H LEU A 79 -0.255 3.789 4.433 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.392 4.932 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.736 4.186 1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.612 2.859 1.982 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.146 3.569 4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.596 3.755 4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.886 5.145 3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.709 3.862 2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.540 1.532 4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.606 1.549 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.052 1.296 3.685 1.00 0.00 H new ATOM 1315 N LEU A 80 -1.471 7.085 2.325 1.00 0.00 N ATOM 1316 CA LEU A 80 -1.973 8.404 2.705 1.00 0.00 C ATOM 1317 C LEU A 80 -3.197 8.791 1.880 1.00 0.00 C ATOM 1318 O LEU A 80 -3.433 8.248 0.799 1.00 0.00 O ATOM 1319 CB LEU A 80 -0.875 9.465 2.550 1.00 0.00 C ATOM 1320 CG LEU A 80 -0.352 9.675 1.123 1.00 0.00 C ATOM 1321 CD1 LEU A 80 -1.189 10.715 0.391 1.00 0.00 C ATOM 1322 CD2 LEU A 80 1.112 10.091 1.149 1.00 0.00 C ATOM 0 H LEU A 80 -1.167 7.013 1.354 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.271 8.355 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.259 10.416 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.036 9.189 3.188 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.434 8.730 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.801 10.849 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.225 10.379 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.141 11.663 0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.467 10.236 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.216 11.023 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.703 9.313 1.632 1.00 0.00 H new ATOM 1334 N SER A 81 -3.969 9.739 2.403 1.00 0.00 N ATOM 1335 CA SER A 81 -5.172 10.218 1.730 1.00 0.00 C ATOM 1336 C SER A 81 -4.850 11.404 0.825 1.00 0.00 C ATOM 1337 O SER A 81 -3.957 12.201 1.126 1.00 0.00 O ATOM 1338 CB SER A 81 -6.234 10.616 2.760 1.00 0.00 C ATOM 1339 OG SER A 81 -6.137 9.822 3.933 1.00 0.00 O ATOM 0 H SER A 81 -3.781 10.193 3.297 1.00 0.00 H new ATOM 0 HA SER A 81 -5.563 9.409 1.113 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.116 11.668 3.019 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.227 10.505 2.324 1.00 0.00 H new ATOM 0 HG SER A 81 -6.825 10.099 4.573 1.00 0.00 H new ATOM 1345 N GLN A 82 -5.582 11.520 -0.282 1.00 0.00 N ATOM 1346 CA GLN A 82 -5.374 12.616 -1.232 1.00 0.00 C ATOM 1347 C GLN A 82 -5.994 13.933 -0.751 1.00 0.00 C ATOM 1348 O GLN A 82 -5.987 14.932 -1.475 1.00 0.00 O ATOM 1349 CB GLN A 82 -5.918 12.240 -2.615 1.00 0.00 C ATOM 1350 CG GLN A 82 -5.221 12.957 -3.762 1.00 0.00 C ATOM 1351 CD GLN A 82 -3.959 12.246 -4.216 1.00 0.00 C ATOM 1352 OE1 GLN A 82 -3.994 11.422 -5.129 1.00 0.00 O ATOM 1353 NE2 GLN A 82 -2.837 12.563 -3.580 1.00 0.00 N ATOM 0 H GLN A 82 -6.324 10.871 -0.544 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.298 12.776 -1.304 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.816 11.164 -2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -6.984 12.467 -2.650 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.908 13.041 -4.604 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.970 13.972 -3.452 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.854 13.252 -2.828 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.958 12.117 -3.843 1.00 0.00 H new