USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 573 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 60 ASN : amide:sc= -0.0153 X(o=-0.058,f=-0.32) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.043 X(o=-0.058,f=-0.32) USER MOD Set 2.1: A 40 GLN : amide:sc= 0.809 K(o=1.7,f=-1!) USER MOD Set 2.2: A 41 ASN : amide:sc= 0.917 K(o=1.7,f=-0.47) USER MOD Single : A 2 GLN : amide:sc= -0.029 X(o=-0.029,f=-0.2) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0137) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -69:sc= 0.118 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0304 USER MOD Single : A 25 ASN : amide:sc= 0.898 K(o=0.9,f=-0.31) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= -1.35 (180deg=-1.52) USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= 2 (180deg=1.85) USER MOD Single : A 31 GLN : amide:sc= 0.675 K(o=0.67,f=-0.00011) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0126) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.2! X(o=-1.2!,f=-0.71) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -42:sc= 0.515 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -113:sc= 1.3 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.211 K(o=0.21,f=-0.97) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -4.377 -13.290 4.714 1.00 0.00 N ATOM 21 CA GLN A 2 -3.113 -12.535 4.595 1.00 0.00 C ATOM 22 C GLN A 2 -2.812 -12.037 3.160 1.00 0.00 C ATOM 23 O GLN A 2 -3.141 -12.727 2.193 1.00 0.00 O ATOM 24 CB GLN A 2 -1.999 -13.437 5.149 1.00 0.00 C ATOM 25 CG GLN A 2 -0.613 -12.782 5.220 1.00 0.00 C ATOM 26 CD GLN A 2 0.290 -13.559 6.173 1.00 0.00 C ATOM 27 OE1 GLN A 2 1.005 -14.471 5.798 1.00 0.00 O ATOM 28 NE2 GLN A 2 0.133 -13.384 7.467 1.00 0.00 N ATOM 0 HA GLN A 2 -3.188 -11.613 5.172 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.281 -13.766 6.149 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.932 -14.330 4.527 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.166 -12.753 4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.708 -11.750 5.558 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.460 -12.629 7.811 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.604 -14.004 8.126 1.00 0.00 H new ATOM 37 N ILE A 3 -2.134 -10.884 3.033 1.00 0.00 N ATOM 38 CA ILE A 3 -1.627 -10.285 1.774 1.00 0.00 C ATOM 39 C ILE A 3 -0.187 -9.761 1.966 1.00 0.00 C ATOM 40 O ILE A 3 0.245 -9.544 3.106 1.00 0.00 O ATOM 41 CB ILE A 3 -2.562 -9.158 1.251 1.00 0.00 C ATOM 42 CG1 ILE A 3 -2.506 -7.874 2.118 1.00 0.00 C ATOM 43 CG2 ILE A 3 -4.007 -9.659 1.077 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.253 -6.673 1.521 1.00 0.00 C ATOM 0 H ILE A 3 -1.910 -10.310 3.845 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.614 -11.070 1.018 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.183 -8.879 0.268 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.924 -8.095 3.100 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.463 -7.598 2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.633 -8.845 0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.024 -10.481 0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.390 -10.007 2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.163 -5.818 2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.822 -6.421 0.552 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.306 -6.925 1.395 1.00 0.00 H new ATOM 56 N PHE A 4 0.537 -9.525 0.861 1.00 0.00 N ATOM 57 CA PHE A 4 1.961 -9.147 0.862 1.00 0.00 C ATOM 58 C PHE A 4 2.293 -7.921 -0.007 1.00 0.00 C ATOM 59 O PHE A 4 1.646 -7.708 -1.029 1.00 0.00 O ATOM 60 CB PHE A 4 2.799 -10.337 0.376 1.00 0.00 C ATOM 61 CG PHE A 4 2.633 -11.604 1.203 1.00 0.00 C ATOM 62 CD1 PHE A 4 3.113 -11.664 2.525 1.00 0.00 C ATOM 63 CD2 PHE A 4 1.938 -12.705 0.663 1.00 0.00 C ATOM 64 CE1 PHE A 4 2.887 -12.811 3.304 1.00 0.00 C ATOM 65 CE2 PHE A 4 1.719 -13.856 1.441 1.00 0.00 C ATOM 66 CZ PHE A 4 2.183 -13.904 2.765 1.00 0.00 C ATOM 0 H PHE A 4 0.142 -9.593 -0.077 1.00 0.00 H new ATOM 0 HA PHE A 4 2.199 -8.873 1.890 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.532 -10.555 -0.658 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.851 -10.051 0.380 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.655 -10.828 2.941 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.572 -12.665 -0.352 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.254 -12.854 4.319 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.195 -14.701 1.021 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.000 -14.780 3.370 1.00 0.00 H new ATOM 76 N VAL A 5 3.347 -7.160 0.337 1.00 0.00 N ATOM 77 CA VAL A 5 3.927 -6.077 -0.491 1.00 0.00 C ATOM 78 C VAL A 5 5.409 -6.294 -0.821 1.00 0.00 C ATOM 79 O VAL A 5 6.165 -6.730 0.042 1.00 0.00 O ATOM 80 CB VAL A 5 3.669 -4.657 0.067 1.00 0.00 C ATOM 81 CG1 VAL A 5 3.795 -3.585 -1.027 1.00 0.00 C ATOM 82 CG2 VAL A 5 2.297 -4.495 0.736 1.00 0.00 C ATOM 0 H VAL A 5 3.836 -7.282 1.224 1.00 0.00 H new ATOM 0 HA VAL A 5 3.381 -6.137 -1.433 1.00 0.00 H new ATOM 0 HB VAL A 5 4.439 -4.520 0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.607 -2.602 -0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.800 -3.611 -1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.067 -3.781 -1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.189 -3.474 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.511 -4.705 0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.215 -5.191 1.571 1.00 0.00 H new ATOM 92 N LYS A 6 5.838 -5.971 -2.046 1.00 0.00 N ATOM 93 CA LYS A 6 7.177 -6.223 -2.607 1.00 0.00 C ATOM 94 C LYS A 6 7.934 -4.907 -2.742 1.00 0.00 C ATOM 95 O LYS A 6 7.565 -4.091 -3.586 1.00 0.00 O ATOM 96 CB LYS A 6 6.959 -6.936 -3.963 1.00 0.00 C ATOM 97 CG LYS A 6 8.097 -6.939 -4.995 1.00 0.00 C ATOM 98 CD LYS A 6 9.179 -7.993 -4.679 1.00 0.00 C ATOM 99 CE LYS A 6 10.000 -8.340 -5.934 1.00 0.00 C ATOM 100 NZ LYS A 6 10.393 -9.777 -6.001 1.00 0.00 N ATOM 0 H LYS A 6 5.228 -5.500 -2.714 1.00 0.00 H new ATOM 0 HA LYS A 6 7.787 -6.856 -1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.704 -7.974 -3.751 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.087 -6.484 -4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.685 -7.132 -5.985 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.556 -5.951 -5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.842 -7.616 -3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.709 -8.895 -4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.419 -8.087 -6.821 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.898 -7.723 -5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.943 -9.947 -6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.972 -10.018 -5.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.539 -10.370 -6.011 1.00 0.00 H new ATOM 114 N THR A 7 8.971 -4.680 -1.936 1.00 0.00 N ATOM 115 CA THR A 7 9.854 -3.505 -2.053 1.00 0.00 C ATOM 116 C THR A 7 11.014 -3.644 -3.043 1.00 0.00 C ATOM 117 O THR A 7 11.408 -4.751 -3.412 1.00 0.00 O ATOM 118 CB THR A 7 10.302 -2.909 -0.700 1.00 0.00 C ATOM 119 OG1 THR A 7 11.557 -3.416 -0.305 1.00 0.00 O ATOM 120 CG2 THR A 7 9.338 -3.124 0.465 1.00 0.00 C ATOM 0 H THR A 7 9.229 -5.308 -1.175 1.00 0.00 H new ATOM 0 HA THR A 7 9.194 -2.766 -2.507 1.00 0.00 H new ATOM 0 HB THR A 7 10.340 -1.839 -0.902 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.815 -3.019 0.553 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.748 -2.667 1.366 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.377 -2.666 0.231 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.200 -4.192 0.631 1.00 0.00 H new ATOM 128 N LEU A 8 11.590 -2.508 -3.447 1.00 0.00 N ATOM 129 CA LEU A 8 12.760 -2.430 -4.337 1.00 0.00 C ATOM 130 C LEU A 8 13.994 -3.136 -3.743 1.00 0.00 C ATOM 131 O LEU A 8 14.703 -3.845 -4.455 1.00 0.00 O ATOM 132 CB LEU A 8 13.088 -0.953 -4.626 1.00 0.00 C ATOM 133 CG LEU A 8 11.952 -0.135 -5.270 1.00 0.00 C ATOM 134 CD1 LEU A 8 12.357 1.337 -5.299 1.00 0.00 C ATOM 135 CD2 LEU A 8 11.640 -0.580 -6.697 1.00 0.00 C ATOM 0 H LEU A 8 11.249 -1.591 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 8 12.507 -2.947 -5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.373 -0.472 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.958 -0.914 -5.282 1.00 0.00 H new ATOM 0 HG LEU A 8 11.057 -0.294 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.559 1.925 -5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.531 1.687 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.270 1.452 -5.883 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.832 0.031 -7.100 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.528 -0.462 -7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.336 -1.627 -6.693 1.00 0.00 H new ATOM 147 N THR A 9 14.199 -3.011 -2.426 1.00 0.00 N ATOM 148 CA THR A 9 15.192 -3.762 -1.631 1.00 0.00 C ATOM 149 C THR A 9 14.874 -5.242 -1.362 1.00 0.00 C ATOM 150 O THR A 9 15.363 -5.831 -0.400 1.00 0.00 O ATOM 151 CB THR A 9 15.667 -3.009 -0.365 1.00 0.00 C ATOM 152 OG1 THR A 9 15.458 -1.614 -0.465 1.00 0.00 O ATOM 153 CG2 THR A 9 17.156 -3.201 -0.076 1.00 0.00 C ATOM 0 H THR A 9 13.658 -2.359 -1.858 1.00 0.00 H new ATOM 0 HA THR A 9 16.044 -3.810 -2.309 1.00 0.00 H new ATOM 0 HB THR A 9 15.070 -3.439 0.439 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.770 -1.177 0.355 1.00 0.00 H new ATOM 0 HG21 THR A 9 17.426 -2.648 0.824 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.364 -4.261 0.073 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.741 -2.831 -0.918 1.00 0.00 H new ATOM 161 N GLY A 10 13.981 -5.841 -2.158 1.00 0.00 N ATOM 162 CA GLY A 10 13.620 -7.261 -2.092 1.00 0.00 C ATOM 163 C GLY A 10 12.862 -7.702 -0.835 1.00 0.00 C ATOM 164 O GLY A 10 12.690 -8.901 -0.629 1.00 0.00 O ATOM 0 H GLY A 10 13.475 -5.337 -2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.011 -7.502 -2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.533 -7.852 -2.168 1.00 0.00 H new ATOM 168 N LYS A 11 12.409 -6.776 0.024 1.00 0.00 N ATOM 169 CA LYS A 11 11.616 -7.119 1.213 1.00 0.00 C ATOM 170 C LYS A 11 10.171 -7.474 0.863 1.00 0.00 C ATOM 171 O LYS A 11 9.495 -6.717 0.165 1.00 0.00 O ATOM 172 CB LYS A 11 11.661 -6.001 2.270 1.00 0.00 C ATOM 173 CG LYS A 11 12.975 -5.922 3.062 1.00 0.00 C ATOM 174 CD LYS A 11 13.189 -7.131 3.993 1.00 0.00 C ATOM 175 CE LYS A 11 14.298 -6.878 5.021 1.00 0.00 C ATOM 176 NZ LYS A 11 15.605 -6.617 4.373 1.00 0.00 N ATOM 0 H LYS A 11 12.581 -5.776 -0.085 1.00 0.00 H new ATOM 0 HA LYS A 11 12.077 -8.009 1.643 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.492 -5.044 1.775 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.838 -6.148 2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.810 -5.855 2.365 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.981 -5.008 3.655 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.258 -7.357 4.513 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.442 -8.007 3.396 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.026 -6.027 5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.386 -7.742 5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.343 -6.535 5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.837 -7.402 3.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.553 -5.731 3.831 1.00 0.00 H new ATOM 190 N THR A 12 9.701 -8.583 1.429 1.00 0.00 N ATOM 191 CA THR A 12 8.280 -8.917 1.581 1.00 0.00 C ATOM 192 C THR A 12 7.658 -8.354 2.855 1.00 0.00 C ATOM 193 O THR A 12 7.964 -8.822 3.946 1.00 0.00 O ATOM 194 CB THR A 12 7.999 -10.424 1.449 1.00 0.00 C ATOM 195 OG1 THR A 12 8.845 -11.014 0.489 1.00 0.00 O ATOM 196 CG2 THR A 12 6.556 -10.707 1.041 1.00 0.00 C ATOM 0 H THR A 12 10.318 -9.301 1.809 1.00 0.00 H new ATOM 0 HA THR A 12 7.790 -8.421 0.743 1.00 0.00 H new ATOM 0 HB THR A 12 8.185 -10.852 2.434 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.649 -11.972 0.424 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.405 -11.783 0.960 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.879 -10.301 1.793 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.352 -10.239 0.078 1.00 0.00 H new ATOM 204 N ILE A 13 6.795 -7.347 2.731 1.00 0.00 N ATOM 205 CA ILE A 13 5.992 -6.808 3.838 1.00 0.00 C ATOM 206 C ILE A 13 4.726 -7.659 3.989 1.00 0.00 C ATOM 207 O ILE A 13 4.117 -8.020 2.983 1.00 0.00 O ATOM 208 CB ILE A 13 5.633 -5.323 3.599 1.00 0.00 C ATOM 209 CG1 ILE A 13 6.782 -4.475 3.005 1.00 0.00 C ATOM 210 CG2 ILE A 13 5.081 -4.678 4.885 1.00 0.00 C ATOM 211 CD1 ILE A 13 8.065 -4.429 3.852 1.00 0.00 C ATOM 0 H ILE A 13 6.628 -6.871 1.844 1.00 0.00 H new ATOM 0 HA ILE A 13 6.574 -6.852 4.758 1.00 0.00 H new ATOM 0 HB ILE A 13 4.855 -5.331 2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.030 -4.868 2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.424 -3.456 2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.836 -3.634 4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.183 -5.209 5.202 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.833 -4.734 5.672 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.810 -3.810 3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.840 -4.005 4.831 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.456 -5.439 3.975 1.00 0.00 H new ATOM 223 N THR A 14 4.304 -7.943 5.222 1.00 0.00 N ATOM 224 CA THR A 14 3.114 -8.757 5.544 1.00 0.00 C ATOM 225 C THR A 14 2.044 -7.932 6.268 1.00 0.00 C ATOM 226 O THR A 14 2.387 -7.135 7.139 1.00 0.00 O ATOM 227 CB THR A 14 3.522 -9.997 6.359 1.00 0.00 C ATOM 228 OG1 THR A 14 4.524 -10.723 5.681 1.00 0.00 O ATOM 229 CG2 THR A 14 2.358 -10.956 6.579 1.00 0.00 C ATOM 0 H THR A 14 4.790 -7.607 6.054 1.00 0.00 H new ATOM 0 HA THR A 14 2.669 -9.095 4.608 1.00 0.00 H new ATOM 0 HB THR A 14 3.876 -9.622 7.319 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.145 -11.128 4.873 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.698 -11.814 7.159 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.562 -10.444 7.121 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.980 -11.296 5.615 1.00 0.00 H new ATOM 237 N LEU A 15 0.756 -8.097 5.925 1.00 0.00 N ATOM 238 CA LEU A 15 -0.336 -7.255 6.450 1.00 0.00 C ATOM 239 C LEU A 15 -1.566 -8.040 6.956 1.00 0.00 C ATOM 240 O LEU A 15 -1.829 -9.173 6.551 1.00 0.00 O ATOM 241 CB LEU A 15 -0.732 -6.207 5.389 1.00 0.00 C ATOM 242 CG LEU A 15 0.346 -5.148 5.077 1.00 0.00 C ATOM 243 CD1 LEU A 15 -0.103 -4.287 3.894 1.00 0.00 C ATOM 244 CD2 LEU A 15 0.601 -4.210 6.263 1.00 0.00 C ATOM 0 H LEU A 15 0.440 -8.818 5.276 1.00 0.00 H new ATOM 0 HA LEU A 15 0.053 -6.758 7.339 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.986 -6.727 4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.634 -5.696 5.725 1.00 0.00 H new ATOM 0 HG LEU A 15 1.264 -5.691 4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.661 -3.540 3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.251 -4.920 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.039 -3.787 4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.367 -3.483 5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.321 -3.688 6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.938 -4.792 7.121 1.00 0.00 H new ATOM 256 N GLU A 16 -2.325 -7.391 7.850 1.00 0.00 N ATOM 257 CA GLU A 16 -3.462 -7.934 8.623 1.00 0.00 C ATOM 258 C GLU A 16 -4.802 -7.245 8.271 1.00 0.00 C ATOM 259 O GLU A 16 -5.436 -6.608 9.110 1.00 0.00 O ATOM 260 CB GLU A 16 -3.135 -7.873 10.136 1.00 0.00 C ATOM 261 CG GLU A 16 -2.866 -6.457 10.698 1.00 0.00 C ATOM 262 CD GLU A 16 -3.672 -6.148 11.976 1.00 0.00 C ATOM 263 OE1 GLU A 16 -3.443 -6.799 13.024 1.00 0.00 O ATOM 264 OE2 GLU A 16 -4.482 -5.198 11.954 1.00 0.00 O ATOM 0 H GLU A 16 -2.154 -6.410 8.070 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.602 -8.979 8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.965 -8.313 10.688 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.260 -8.494 10.327 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.802 -6.354 10.913 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.110 -5.718 9.935 1.00 0.00 H new ATOM 271 N VAL A 17 -5.218 -7.303 7.006 1.00 0.00 N ATOM 272 CA VAL A 17 -6.429 -6.624 6.489 1.00 0.00 C ATOM 273 C VAL A 17 -7.603 -7.576 6.235 1.00 0.00 C ATOM 274 O VAL A 17 -7.385 -8.745 5.925 1.00 0.00 O ATOM 275 CB VAL A 17 -6.099 -5.712 5.290 1.00 0.00 C ATOM 276 CG1 VAL A 17 -4.798 -4.920 5.512 1.00 0.00 C ATOM 277 CG2 VAL A 17 -5.935 -6.492 3.985 1.00 0.00 C ATOM 0 H VAL A 17 -4.720 -7.831 6.290 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.785 -5.970 7.285 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.950 -5.036 5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.603 -4.290 4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.900 -4.294 6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.969 -5.614 5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.704 -5.801 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.123 -7.212 4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.861 -7.020 3.758 1.00 0.00 H new ATOM 287 N GLU A 18 -8.844 -7.101 6.364 1.00 0.00 N ATOM 288 CA GLU A 18 -10.020 -7.862 5.911 1.00 0.00 C ATOM 289 C GLU A 18 -10.149 -7.819 4.374 1.00 0.00 C ATOM 290 O GLU A 18 -9.843 -6.795 3.769 1.00 0.00 O ATOM 291 CB GLU A 18 -11.310 -7.323 6.563 1.00 0.00 C ATOM 292 CG GLU A 18 -11.521 -7.749 8.031 1.00 0.00 C ATOM 293 CD GLU A 18 -12.821 -8.540 8.283 1.00 0.00 C ATOM 294 OE1 GLU A 18 -13.252 -9.354 7.427 1.00 0.00 O ATOM 295 OE2 GLU A 18 -13.432 -8.378 9.366 1.00 0.00 O ATOM 0 H GLU A 18 -9.065 -6.195 6.777 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.880 -8.898 6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.297 -6.234 6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.165 -7.659 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.673 -8.357 8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.525 -6.858 8.659 1.00 0.00 H new ATOM 302 N PRO A 19 -10.690 -8.857 3.701 1.00 0.00 N ATOM 303 CA PRO A 19 -10.994 -8.795 2.257 1.00 0.00 C ATOM 304 C PRO A 19 -12.020 -7.705 1.901 1.00 0.00 C ATOM 305 O PRO A 19 -12.075 -7.253 0.757 1.00 0.00 O ATOM 306 CB PRO A 19 -11.523 -10.193 1.912 1.00 0.00 C ATOM 307 CG PRO A 19 -12.125 -10.689 3.228 1.00 0.00 C ATOM 308 CD PRO A 19 -11.183 -10.101 4.275 1.00 0.00 C ATOM 0 HA PRO A 19 -10.107 -8.526 1.683 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.270 -10.154 1.120 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.724 -10.849 1.565 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.148 -10.338 3.362 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -12.153 -11.778 3.275 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.705 -9.920 5.215 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.363 -10.785 4.493 1.00 0.00 H new ATOM 316 N SER A 20 -12.807 -7.279 2.893 1.00 0.00 N ATOM 317 CA SER A 20 -13.773 -6.182 2.814 1.00 0.00 C ATOM 318 C SER A 20 -13.193 -4.808 3.199 1.00 0.00 C ATOM 319 O SER A 20 -13.937 -3.829 3.209 1.00 0.00 O ATOM 320 CB SER A 20 -15.003 -6.531 3.662 1.00 0.00 C ATOM 321 OG SER A 20 -15.650 -7.652 3.087 1.00 0.00 O ATOM 0 H SER A 20 -12.786 -7.711 3.817 1.00 0.00 H new ATOM 0 HA SER A 20 -14.060 -6.078 1.768 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.705 -6.752 4.687 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.685 -5.682 3.705 1.00 0.00 H new ATOM 0 HG SER A 20 -16.437 -7.885 3.622 1.00 0.00 H new ATOM 327 N ASP A 21 -11.893 -4.699 3.509 1.00 0.00 N ATOM 328 CA ASP A 21 -11.223 -3.399 3.627 1.00 0.00 C ATOM 329 C ASP A 21 -11.198 -2.557 2.342 1.00 0.00 C ATOM 330 O ASP A 21 -10.930 -3.037 1.232 1.00 0.00 O ATOM 331 CB ASP A 21 -9.835 -3.471 4.303 1.00 0.00 C ATOM 332 CG ASP A 21 -9.869 -3.430 5.834 1.00 0.00 C ATOM 333 OD1 ASP A 21 -10.576 -2.538 6.368 1.00 0.00 O ATOM 334 OD2 ASP A 21 -9.131 -4.203 6.488 1.00 0.00 O ATOM 0 H ASP A 21 -11.284 -5.499 3.683 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.874 -2.852 4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.339 -4.389 3.988 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.227 -2.641 3.944 1.00 0.00 H new ATOM 339 N THR A 22 -11.457 -1.262 2.508 1.00 0.00 N ATOM 340 CA THR A 22 -11.283 -0.250 1.464 1.00 0.00 C ATOM 341 C THR A 22 -9.805 0.010 1.137 1.00 0.00 C ATOM 342 O THR A 22 -8.918 -0.175 1.975 1.00 0.00 O ATOM 343 CB THR A 22 -12.041 1.044 1.800 1.00 0.00 C ATOM 344 OG1 THR A 22 -11.388 1.706 2.856 1.00 0.00 O ATOM 345 CG2 THR A 22 -13.488 0.833 2.244 1.00 0.00 C ATOM 0 H THR A 22 -11.800 -0.877 3.388 1.00 0.00 H new ATOM 0 HA THR A 22 -11.726 -0.655 0.554 1.00 0.00 H new ATOM 0 HB THR A 22 -12.053 1.618 0.873 1.00 0.00 H new ATOM 0 HG1 THR A 22 -11.869 2.533 3.071 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.946 1.798 2.461 1.00 0.00 H new ATOM 0 HG22 THR A 22 -14.044 0.337 1.448 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.507 0.213 3.140 1.00 0.00 H new ATOM 353 N ILE A 23 -9.502 0.460 -0.083 1.00 0.00 N ATOM 354 CA ILE A 23 -8.121 0.687 -0.535 1.00 0.00 C ATOM 355 C ILE A 23 -7.455 1.827 0.264 1.00 0.00 C ATOM 356 O ILE A 23 -6.231 1.853 0.420 1.00 0.00 O ATOM 357 CB ILE A 23 -8.125 0.941 -2.063 1.00 0.00 C ATOM 358 CG1 ILE A 23 -8.676 -0.229 -2.911 1.00 0.00 C ATOM 359 CG2 ILE A 23 -6.714 1.290 -2.544 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.013 -1.596 -2.676 1.00 0.00 C ATOM 0 H ILE A 23 -10.206 0.678 -0.788 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.517 -0.200 -0.344 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.810 1.776 -2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.744 -0.325 -2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.569 0.029 -3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.729 1.466 -3.620 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.368 2.189 -2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.039 0.464 -2.322 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.477 -2.341 -3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.949 -1.529 -2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.142 -1.889 -1.634 1.00 0.00 H new ATOM 372 N GLU A 24 -8.265 2.741 0.804 1.00 0.00 N ATOM 373 CA GLU A 24 -7.899 3.772 1.781 1.00 0.00 C ATOM 374 C GLU A 24 -7.693 3.233 3.215 1.00 0.00 C ATOM 375 O GLU A 24 -6.683 3.574 3.826 1.00 0.00 O ATOM 376 CB GLU A 24 -8.910 4.931 1.702 1.00 0.00 C ATOM 377 CG GLU A 24 -10.372 4.525 1.947 1.00 0.00 C ATOM 378 CD GLU A 24 -11.424 5.412 1.273 1.00 0.00 C ATOM 379 OE1 GLU A 24 -11.149 5.974 0.193 1.00 0.00 O ATOM 380 OE2 GLU A 24 -12.564 5.421 1.785 1.00 0.00 O ATOM 0 H GLU A 24 -9.254 2.784 0.557 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.914 4.153 1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.630 5.690 2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.836 5.394 0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.509 3.501 1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.556 4.525 3.021 1.00 0.00 H new ATOM 387 N ASN A 25 -8.540 2.322 3.721 1.00 0.00 N ATOM 388 CA ASN A 25 -8.311 1.611 4.991 1.00 0.00 C ATOM 389 C ASN A 25 -6.956 0.893 5.013 1.00 0.00 C ATOM 390 O ASN A 25 -6.158 1.065 5.936 1.00 0.00 O ATOM 391 CB ASN A 25 -9.435 0.600 5.250 1.00 0.00 C ATOM 392 CG ASN A 25 -10.587 1.147 6.067 1.00 0.00 C ATOM 393 OD1 ASN A 25 -10.820 2.341 6.203 1.00 0.00 O ATOM 394 ND2 ASN A 25 -11.329 0.243 6.649 1.00 0.00 N ATOM 0 H ASN A 25 -9.409 2.056 3.258 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.306 2.362 5.781 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.819 0.247 4.293 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.018 -0.266 5.765 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.119 0.527 7.229 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.119 -0.747 6.524 1.00 0.00 H new ATOM 401 N VAL A 26 -6.655 0.117 3.966 1.00 0.00 N ATOM 402 CA VAL A 26 -5.364 -0.579 3.831 1.00 0.00 C ATOM 403 C VAL A 26 -4.206 0.430 3.778 1.00 0.00 C ATOM 404 O VAL A 26 -3.164 0.207 4.401 1.00 0.00 O ATOM 405 CB VAL A 26 -5.362 -1.445 2.557 1.00 0.00 C ATOM 406 CG1 VAL A 26 -4.020 -2.150 2.309 1.00 0.00 C ATOM 407 CG2 VAL A 26 -6.458 -2.517 2.601 1.00 0.00 C ATOM 0 H VAL A 26 -7.295 -0.048 3.189 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.226 -1.220 4.702 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.547 -0.746 1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.084 -2.744 1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.232 -1.405 2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.791 -2.803 3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.426 -3.108 1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.295 -3.168 3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.433 -2.037 2.689 1.00 0.00 H new ATOM 417 N LYS A 27 -4.397 1.567 3.087 1.00 0.00 N ATOM 418 CA LYS A 27 -3.429 2.674 3.047 1.00 0.00 C ATOM 419 C LYS A 27 -3.189 3.309 4.415 1.00 0.00 C ATOM 420 O LYS A 27 -2.118 3.869 4.595 1.00 0.00 O ATOM 421 CB LYS A 27 -3.886 3.785 2.079 1.00 0.00 C ATOM 422 CG LYS A 27 -2.811 4.111 1.030 1.00 0.00 C ATOM 423 CD LYS A 27 -2.980 3.317 -0.271 1.00 0.00 C ATOM 424 CE LYS A 27 -4.108 3.929 -1.114 1.00 0.00 C ATOM 425 NZ LYS A 27 -4.206 3.273 -2.435 1.00 0.00 N ATOM 0 H LYS A 27 -5.237 1.744 2.535 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.497 2.226 2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.801 3.474 1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.124 4.685 2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.843 5.177 0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.827 3.903 1.450 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.048 3.324 -0.835 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.208 2.275 -0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.056 3.830 -0.585 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.928 4.996 -1.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.075 3.585 -2.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.380 3.531 -3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.232 2.241 -2.309 1.00 0.00 H new ATOM 439 N ALA A 28 -4.135 3.232 5.348 1.00 0.00 N ATOM 440 CA ALA A 28 -3.939 3.706 6.719 1.00 0.00 C ATOM 441 C ALA A 28 -3.137 2.690 7.555 1.00 0.00 C ATOM 442 O ALA A 28 -2.097 3.029 8.122 1.00 0.00 O ATOM 443 CB ALA A 28 -5.303 4.036 7.341 1.00 0.00 C ATOM 0 H ALA A 28 -5.060 2.839 5.176 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.343 4.618 6.706 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.161 4.389 8.362 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.793 4.812 6.753 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.925 3.141 7.350 1.00 0.00 H new ATOM 449 N LYS A 29 -3.561 1.414 7.584 1.00 0.00 N ATOM 450 CA LYS A 29 -2.932 0.366 8.423 1.00 0.00 C ATOM 451 C LYS A 29 -1.429 0.184 8.154 1.00 0.00 C ATOM 452 O LYS A 29 -0.678 -0.130 9.077 1.00 0.00 O ATOM 453 CB LYS A 29 -3.687 -0.974 8.277 1.00 0.00 C ATOM 454 CG LYS A 29 -5.170 -0.895 8.691 1.00 0.00 C ATOM 455 CD LYS A 29 -5.879 -2.263 8.721 1.00 0.00 C ATOM 456 CE LYS A 29 -5.616 -2.962 10.067 1.00 0.00 C ATOM 457 NZ LYS A 29 -6.311 -4.261 10.233 1.00 0.00 N ATOM 0 H LYS A 29 -4.347 1.076 7.029 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.012 0.710 9.454 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.625 -1.305 7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.189 -1.730 8.884 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.238 -0.439 9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.697 -0.238 7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.951 -2.130 8.574 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.520 -2.886 7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.543 -3.122 10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.921 -2.296 10.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.001 -4.710 11.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.338 -4.103 10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.082 -4.882 9.431 1.00 0.00 H new ATOM 471 N ILE A 30 -0.960 0.425 6.925 1.00 0.00 N ATOM 472 CA ILE A 30 0.468 0.302 6.583 1.00 0.00 C ATOM 473 C ILE A 30 1.361 1.338 7.304 1.00 0.00 C ATOM 474 O ILE A 30 2.530 1.046 7.570 1.00 0.00 O ATOM 475 CB ILE A 30 0.650 0.375 5.049 1.00 0.00 C ATOM 476 CG1 ILE A 30 1.975 -0.319 4.673 1.00 0.00 C ATOM 477 CG2 ILE A 30 0.606 1.812 4.508 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.177 -0.506 3.163 1.00 0.00 C ATOM 0 H ILE A 30 -1.550 0.709 6.143 1.00 0.00 H new ATOM 0 HA ILE A 30 0.801 -0.672 6.940 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.189 -0.141 4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.805 0.266 5.070 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.012 -1.295 5.157 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.739 1.798 3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.357 2.262 4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.404 2.397 4.964 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.131 -1.001 2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.369 -1.117 2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.174 0.467 2.672 1.00 0.00 H new ATOM 490 N GLN A 31 0.843 2.524 7.652 1.00 0.00 N ATOM 491 CA GLN A 31 1.636 3.563 8.326 1.00 0.00 C ATOM 492 C GLN A 31 1.909 3.252 9.806 1.00 0.00 C ATOM 493 O GLN A 31 2.824 3.820 10.401 1.00 0.00 O ATOM 494 CB GLN A 31 0.962 4.943 8.193 1.00 0.00 C ATOM 495 CG GLN A 31 1.341 5.707 6.911 1.00 0.00 C ATOM 496 CD GLN A 31 0.184 5.842 5.927 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.830 6.475 6.195 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.298 5.263 4.753 1.00 0.00 N ATOM 0 H GLN A 31 -0.126 2.789 7.477 1.00 0.00 H new ATOM 0 HA GLN A 31 2.601 3.580 7.820 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.120 4.811 8.218 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.229 5.551 9.058 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.698 6.701 7.180 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.168 5.193 6.421 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.140 4.735 4.525 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.456 5.342 4.070 1.00 0.00 H new ATOM 507 N ASP A 32 1.140 2.333 10.385 1.00 0.00 N ATOM 508 CA ASP A 32 1.322 1.812 11.742 1.00 0.00 C ATOM 509 C ASP A 32 2.006 0.436 11.806 1.00 0.00 C ATOM 510 O ASP A 32 2.754 0.173 12.748 1.00 0.00 O ATOM 511 CB ASP A 32 -0.042 1.824 12.463 1.00 0.00 C ATOM 512 CG ASP A 32 -0.161 2.853 13.602 1.00 0.00 C ATOM 513 OD1 ASP A 32 0.743 3.706 13.780 1.00 0.00 O ATOM 514 OD2 ASP A 32 -1.174 2.768 14.331 1.00 0.00 O ATOM 0 H ASP A 32 0.343 1.914 9.906 1.00 0.00 H new ATOM 0 HA ASP A 32 2.020 2.470 12.259 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.823 2.023 11.729 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.231 0.830 12.869 1.00 0.00 H new ATOM 519 N LYS A 33 1.798 -0.445 10.813 1.00 0.00 N ATOM 520 CA LYS A 33 2.444 -1.774 10.797 1.00 0.00 C ATOM 521 C LYS A 33 3.880 -1.779 10.253 1.00 0.00 C ATOM 522 O LYS A 33 4.641 -2.668 10.623 1.00 0.00 O ATOM 523 CB LYS A 33 1.553 -2.814 10.084 1.00 0.00 C ATOM 524 CG LYS A 33 1.115 -3.958 11.024 1.00 0.00 C ATOM 525 CD LYS A 33 2.291 -4.830 11.510 1.00 0.00 C ATOM 526 CE LYS A 33 1.896 -5.938 12.498 1.00 0.00 C ATOM 527 NZ LYS A 33 1.354 -5.401 13.772 1.00 0.00 N ATOM 0 H LYS A 33 1.191 -0.265 10.013 1.00 0.00 H new ATOM 0 HA LYS A 33 2.547 -2.063 11.843 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.669 -2.318 9.684 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.095 -3.232 9.236 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.604 -3.534 11.888 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.393 -4.589 10.506 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.770 -5.287 10.644 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.033 -4.187 11.983 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.151 -6.584 12.034 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.767 -6.558 12.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.151 -6.187 14.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.053 -4.765 14.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.478 -4.874 13.582 1.00 0.00 H new ATOM 541 N GLU A 34 4.264 -0.830 9.396 1.00 0.00 N ATOM 542 CA GLU A 34 5.637 -0.729 8.861 1.00 0.00 C ATOM 543 C GLU A 34 6.132 0.717 8.638 1.00 0.00 C ATOM 544 O GLU A 34 7.335 0.935 8.536 1.00 0.00 O ATOM 545 CB GLU A 34 5.698 -1.573 7.573 1.00 0.00 C ATOM 546 CG GLU A 34 7.053 -1.656 6.853 1.00 0.00 C ATOM 547 CD GLU A 34 8.178 -2.394 7.610 1.00 0.00 C ATOM 548 OE1 GLU A 34 7.959 -2.877 8.750 1.00 0.00 O ATOM 549 OE2 GLU A 34 9.280 -2.520 7.026 1.00 0.00 O ATOM 0 H GLU A 34 3.636 -0.106 9.049 1.00 0.00 H new ATOM 0 HA GLU A 34 6.327 -1.117 9.610 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.383 -2.587 7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.966 -1.173 6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.902 -2.151 5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.391 -0.642 6.639 1.00 0.00 H new ATOM 556 N GLY A 35 5.242 1.716 8.602 1.00 0.00 N ATOM 557 CA GLY A 35 5.637 3.123 8.443 1.00 0.00 C ATOM 558 C GLY A 35 5.896 3.520 6.986 1.00 0.00 C ATOM 559 O GLY A 35 6.924 4.112 6.673 1.00 0.00 O ATOM 0 H GLY A 35 4.235 1.575 8.681 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.854 3.761 8.852 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.538 3.308 9.028 1.00 0.00 H new ATOM 563 N ILE A 36 4.971 3.174 6.081 1.00 0.00 N ATOM 564 CA ILE A 36 5.041 3.488 4.640 1.00 0.00 C ATOM 565 C ILE A 36 4.083 4.659 4.296 1.00 0.00 C ATOM 566 O ILE A 36 2.914 4.406 3.995 1.00 0.00 O ATOM 567 CB ILE A 36 4.742 2.202 3.824 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.598 0.980 4.238 1.00 0.00 C ATOM 569 CG2 ILE A 36 4.873 2.426 2.310 1.00 0.00 C ATOM 570 CD1 ILE A 36 7.118 1.155 4.105 1.00 0.00 C ATOM 0 H ILE A 36 4.130 2.655 6.333 1.00 0.00 H new ATOM 0 HA ILE A 36 6.043 3.823 4.373 1.00 0.00 H new ATOM 0 HB ILE A 36 3.704 1.971 4.064 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.369 0.734 5.275 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.295 0.126 3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.654 1.497 1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.169 3.196 1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.889 2.744 2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.619 0.240 4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.370 1.366 3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.445 1.983 4.733 1.00 0.00 H new ATOM 582 N PRO A 37 4.510 5.938 4.379 1.00 0.00 N ATOM 583 CA PRO A 37 3.667 7.110 4.094 1.00 0.00 C ATOM 584 C PRO A 37 3.544 7.422 2.584 1.00 0.00 C ATOM 585 O PRO A 37 4.437 7.060 1.815 1.00 0.00 O ATOM 586 CB PRO A 37 4.355 8.272 4.823 1.00 0.00 C ATOM 587 CG PRO A 37 5.833 7.901 4.718 1.00 0.00 C ATOM 588 CD PRO A 37 5.802 6.384 4.886 1.00 0.00 C ATOM 0 HA PRO A 37 2.645 6.934 4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.143 9.230 4.349 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.029 8.350 5.860 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.259 8.195 3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.429 8.384 5.492 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.618 5.916 4.335 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.925 6.107 5.933 1.00 0.00 H new ATOM 596 N PRO A 38 2.501 8.159 2.146 1.00 0.00 N ATOM 597 CA PRO A 38 2.293 8.517 0.735 1.00 0.00 C ATOM 598 C PRO A 38 3.334 9.508 0.170 1.00 0.00 C ATOM 599 O PRO A 38 3.569 9.537 -1.038 1.00 0.00 O ATOM 600 CB PRO A 38 0.885 9.123 0.680 1.00 0.00 C ATOM 601 CG PRO A 38 0.694 9.710 2.078 1.00 0.00 C ATOM 602 CD PRO A 38 1.419 8.696 2.963 1.00 0.00 C ATOM 0 HA PRO A 38 2.407 7.630 0.112 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.808 9.890 -0.091 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.132 8.368 0.455 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.128 10.706 2.163 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.360 9.798 2.341 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.808 9.171 3.864 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.743 7.904 3.286 1.00 0.00 H new ATOM 610 N ASP A 39 3.989 10.294 1.032 1.00 0.00 N ATOM 611 CA ASP A 39 5.032 11.273 0.673 1.00 0.00 C ATOM 612 C ASP A 39 6.283 10.723 -0.052 1.00 0.00 C ATOM 613 O ASP A 39 7.099 11.486 -0.565 1.00 0.00 O ATOM 614 CB ASP A 39 5.441 12.085 1.926 1.00 0.00 C ATOM 615 CG ASP A 39 4.437 13.148 2.401 1.00 0.00 C ATOM 616 OD1 ASP A 39 3.488 13.469 1.650 1.00 0.00 O ATOM 617 OD2 ASP A 39 4.635 13.644 3.539 1.00 0.00 O ATOM 0 H ASP A 39 3.804 10.268 2.035 1.00 0.00 H new ATOM 0 HA ASP A 39 4.562 11.909 -0.077 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.615 11.387 2.745 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.391 12.578 1.720 1.00 0.00 H new ATOM 622 N GLN A 40 6.458 9.397 -0.069 1.00 0.00 N ATOM 623 CA GLN A 40 7.769 8.753 -0.222 1.00 0.00 C ATOM 624 C GLN A 40 7.798 7.622 -1.281 1.00 0.00 C ATOM 625 O GLN A 40 8.861 7.279 -1.799 1.00 0.00 O ATOM 626 CB GLN A 40 8.154 8.305 1.203 1.00 0.00 C ATOM 627 CG GLN A 40 9.624 7.906 1.390 1.00 0.00 C ATOM 628 CD GLN A 40 9.927 6.450 1.078 1.00 0.00 C ATOM 629 OE1 GLN A 40 9.057 5.612 0.884 1.00 0.00 O ATOM 630 NE2 GLN A 40 11.188 6.088 1.037 1.00 0.00 N ATOM 0 H GLN A 40 5.688 8.735 0.024 1.00 0.00 H new ATOM 0 HA GLN A 40 8.508 9.442 -0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.923 9.115 1.895 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.527 7.459 1.482 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.243 8.537 0.752 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.915 8.112 2.420 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.922 6.778 1.197 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.434 5.117 0.845 1.00 0.00 H new ATOM 639 N ASN A 41 6.643 7.072 -1.668 1.00 0.00 N ATOM 640 CA ASN A 41 6.519 5.840 -2.464 1.00 0.00 C ATOM 641 C ASN A 41 5.135 5.752 -3.160 1.00 0.00 C ATOM 642 O ASN A 41 4.333 6.674 -3.005 1.00 0.00 O ATOM 643 CB ASN A 41 6.769 4.660 -1.501 1.00 0.00 C ATOM 644 CG ASN A 41 5.796 4.669 -0.344 1.00 0.00 C ATOM 645 OD1 ASN A 41 4.637 4.318 -0.493 1.00 0.00 O ATOM 646 ND2 ASN A 41 6.241 5.082 0.815 1.00 0.00 N ATOM 0 H ASN A 41 5.740 7.482 -1.431 1.00 0.00 H new ATOM 0 HA ASN A 41 7.249 5.822 -3.273 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.679 3.720 -2.046 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.789 4.711 -1.120 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.615 5.116 1.619 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.214 5.370 0.914 1.00 0.00 H new ATOM 653 N ARG A 42 4.823 4.670 -3.902 1.00 0.00 N ATOM 654 CA ARG A 42 3.420 4.276 -4.163 1.00 0.00 C ATOM 655 C ARG A 42 3.287 2.792 -4.516 1.00 0.00 C ATOM 656 O ARG A 42 4.056 2.265 -5.318 1.00 0.00 O ATOM 657 CB ARG A 42 2.698 5.164 -5.204 1.00 0.00 C ATOM 658 CG ARG A 42 3.216 5.209 -6.655 1.00 0.00 C ATOM 659 CD ARG A 42 4.398 6.163 -6.894 1.00 0.00 C ATOM 660 NE ARG A 42 4.336 6.751 -8.255 1.00 0.00 N ATOM 661 CZ ARG A 42 5.251 6.741 -9.213 1.00 0.00 C ATOM 662 NH1 ARG A 42 6.450 6.258 -9.064 1.00 0.00 N ATOM 663 NH2 ARG A 42 4.965 7.239 -10.381 1.00 0.00 N ATOM 0 H ARG A 42 5.517 4.056 -4.329 1.00 0.00 H new ATOM 0 HA ARG A 42 2.907 4.444 -3.216 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.656 4.844 -5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.705 6.185 -4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.515 4.203 -6.949 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.395 5.501 -7.309 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.385 6.958 -6.149 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.337 5.624 -6.769 1.00 0.00 H new ATOM 0 HE ARG A 42 3.466 7.231 -8.486 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.731 5.857 -8.169 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.109 6.280 -9.842 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.041 7.634 -10.555 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.665 7.234 -11.123 1.00 0.00 H new ATOM 677 N LEU A 43 2.305 2.119 -3.913 1.00 0.00 N ATOM 678 CA LEU A 43 2.020 0.699 -4.151 1.00 0.00 C ATOM 679 C LEU A 43 1.422 0.477 -5.550 1.00 0.00 C ATOM 680 O LEU A 43 0.526 1.213 -5.972 1.00 0.00 O ATOM 681 CB LEU A 43 1.065 0.143 -3.074 1.00 0.00 C ATOM 682 CG LEU A 43 1.738 -0.251 -1.745 1.00 0.00 C ATOM 683 CD1 LEU A 43 2.137 0.952 -0.886 1.00 0.00 C ATOM 684 CD2 LEU A 43 0.771 -1.104 -0.919 1.00 0.00 C ATOM 0 H LEU A 43 1.675 2.549 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 43 2.966 0.161 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.299 0.891 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.555 -0.731 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 43 2.644 -0.795 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.605 0.603 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.841 1.575 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.249 1.536 -0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.245 -1.384 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.134 -0.532 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.512 -2.004 -1.477 1.00 0.00 H new ATOM 696 N ILE A 44 1.886 -0.572 -6.229 1.00 0.00 N ATOM 697 CA ILE A 44 1.365 -1.053 -7.529 1.00 0.00 C ATOM 698 C ILE A 44 0.809 -2.484 -7.397 1.00 0.00 C ATOM 699 O ILE A 44 1.319 -3.275 -6.611 1.00 0.00 O ATOM 700 CB ILE A 44 2.476 -0.986 -8.610 1.00 0.00 C ATOM 701 CG1 ILE A 44 3.226 0.361 -8.656 1.00 0.00 C ATOM 702 CG2 ILE A 44 1.954 -1.336 -10.014 1.00 0.00 C ATOM 703 CD1 ILE A 44 2.377 1.593 -9.005 1.00 0.00 C ATOM 0 H ILE A 44 2.663 -1.137 -5.885 1.00 0.00 H new ATOM 0 HA ILE A 44 0.546 -0.404 -7.838 1.00 0.00 H new ATOM 0 HB ILE A 44 3.194 -1.746 -8.300 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.691 0.528 -7.685 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.032 0.281 -9.386 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.772 -1.274 -10.732 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.551 -2.349 -10.010 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.169 -0.634 -10.296 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.009 2.481 -9.008 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.932 1.461 -9.991 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.587 1.712 -8.264 1.00 0.00 H new ATOM 715 N PHE A 45 -0.188 -2.868 -8.198 1.00 0.00 N ATOM 716 CA PHE A 45 -0.630 -4.263 -8.346 1.00 0.00 C ATOM 717 C PHE A 45 -0.866 -4.724 -9.796 1.00 0.00 C ATOM 718 O PHE A 45 -1.692 -4.142 -10.491 1.00 0.00 O ATOM 719 CB PHE A 45 -1.754 -4.586 -7.351 1.00 0.00 C ATOM 720 CG PHE A 45 -2.502 -5.882 -7.588 1.00 0.00 C ATOM 721 CD1 PHE A 45 -2.025 -7.081 -7.022 1.00 0.00 C ATOM 722 CD2 PHE A 45 -3.694 -5.891 -8.339 1.00 0.00 C ATOM 723 CE1 PHE A 45 -2.740 -8.280 -7.201 1.00 0.00 C ATOM 724 CE2 PHE A 45 -4.410 -7.087 -8.513 1.00 0.00 C ATOM 725 CZ PHE A 45 -3.935 -8.282 -7.943 1.00 0.00 C ATOM 0 H PHE A 45 -0.720 -2.213 -8.771 1.00 0.00 H new ATOM 0 HA PHE A 45 0.213 -4.895 -8.068 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.327 -4.615 -6.349 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.473 -3.767 -7.368 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.109 -7.080 -6.450 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.058 -4.976 -8.782 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.371 -9.198 -6.769 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.326 -7.089 -9.085 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.487 -9.201 -8.075 1.00 0.00 H new ATOM 735 N ALA A 46 -0.102 -5.712 -10.283 1.00 0.00 N ATOM 736 CA ALA A 46 -0.108 -6.151 -11.691 1.00 0.00 C ATOM 737 C ALA A 46 0.020 -4.979 -12.704 1.00 0.00 C ATOM 738 O ALA A 46 -0.741 -4.861 -13.663 1.00 0.00 O ATOM 739 CB ALA A 46 -1.320 -7.066 -11.931 1.00 0.00 C ATOM 0 H ALA A 46 0.550 -6.239 -9.702 1.00 0.00 H new ATOM 0 HA ALA A 46 0.792 -6.736 -11.879 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.329 -7.393 -12.971 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.254 -7.936 -11.277 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.238 -6.519 -11.715 1.00 0.00 H new ATOM 745 N GLY A 47 0.945 -4.047 -12.431 1.00 0.00 N ATOM 746 CA GLY A 47 1.142 -2.803 -13.195 1.00 0.00 C ATOM 747 C GLY A 47 0.070 -1.722 -12.975 1.00 0.00 C ATOM 748 O GLY A 47 0.331 -0.547 -13.221 1.00 0.00 O ATOM 0 H GLY A 47 1.596 -4.139 -11.651 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.115 -2.386 -12.934 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.175 -3.049 -14.256 1.00 0.00 H new ATOM 752 N LYS A 48 -1.116 -2.085 -12.475 1.00 0.00 N ATOM 753 CA LYS A 48 -2.235 -1.180 -12.183 1.00 0.00 C ATOM 754 C LYS A 48 -1.986 -0.444 -10.858 1.00 0.00 C ATOM 755 O LYS A 48 -1.571 -1.043 -9.866 1.00 0.00 O ATOM 756 CB LYS A 48 -3.521 -2.031 -12.171 1.00 0.00 C ATOM 757 CG LYS A 48 -4.804 -1.248 -12.494 1.00 0.00 C ATOM 758 CD LYS A 48 -6.012 -2.175 -12.749 1.00 0.00 C ATOM 759 CE LYS A 48 -5.859 -2.981 -14.053 1.00 0.00 C ATOM 760 NZ LYS A 48 -7.013 -3.872 -14.331 1.00 0.00 N ATOM 0 H LYS A 48 -1.332 -3.057 -12.253 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.337 -0.403 -12.941 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.413 -2.841 -12.892 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.628 -2.491 -11.189 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.034 -0.576 -11.667 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.635 -0.626 -13.373 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.125 -2.862 -11.910 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.923 -1.578 -12.797 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.733 -2.290 -14.887 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.951 -3.581 -13.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.849 -4.385 -15.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.121 -4.553 -13.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.879 -3.302 -14.415 1.00 0.00 H new ATOM 774 N GLN A 49 -2.221 0.865 -10.822 1.00 0.00 N ATOM 775 CA GLN A 49 -2.218 1.640 -9.573 1.00 0.00 C ATOM 776 C GLN A 49 -3.561 1.412 -8.834 1.00 0.00 C ATOM 777 O GLN A 49 -4.553 0.986 -9.433 1.00 0.00 O ATOM 778 CB GLN A 49 -1.967 3.127 -9.915 1.00 0.00 C ATOM 779 CG GLN A 49 -0.996 3.835 -8.953 1.00 0.00 C ATOM 780 CD GLN A 49 -1.584 4.085 -7.571 1.00 0.00 C ATOM 781 OE1 GLN A 49 -2.474 4.886 -7.377 1.00 0.00 O ATOM 782 NE2 GLN A 49 -1.209 3.351 -6.546 1.00 0.00 N ATOM 0 H GLN A 49 -2.419 1.422 -11.653 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.422 1.316 -8.903 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.572 3.194 -10.929 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.920 3.657 -9.908 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.094 3.232 -8.851 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.695 4.788 -9.389 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.465 2.663 -6.657 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.663 3.470 -5.640 1.00 0.00 H new ATOM 791 N LEU A 50 -3.601 1.703 -7.532 1.00 0.00 N ATOM 792 CA LEU A 50 -4.717 1.423 -6.627 1.00 0.00 C ATOM 793 C LEU A 50 -5.256 2.736 -6.022 1.00 0.00 C ATOM 794 O LEU A 50 -4.670 3.265 -5.072 1.00 0.00 O ATOM 795 CB LEU A 50 -4.254 0.420 -5.550 1.00 0.00 C ATOM 796 CG LEU A 50 -3.762 -0.943 -6.077 1.00 0.00 C ATOM 797 CD1 LEU A 50 -3.323 -1.794 -4.890 1.00 0.00 C ATOM 798 CD2 LEU A 50 -4.854 -1.696 -6.827 1.00 0.00 C ATOM 0 H LEU A 50 -2.822 2.161 -7.059 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.543 0.969 -7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.450 0.878 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.081 0.246 -4.861 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.939 -0.758 -6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.972 -2.762 -5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.516 -1.289 -4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.166 -1.940 -4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.462 -2.650 -7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.697 -1.875 -6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.186 -1.103 -7.679 1.00 0.00 H new ATOM 810 N GLU A 51 -6.379 3.229 -6.556 1.00 0.00 N ATOM 811 CA GLU A 51 -7.065 4.470 -6.160 1.00 0.00 C ATOM 812 C GLU A 51 -8.036 4.260 -4.975 1.00 0.00 C ATOM 813 O GLU A 51 -8.220 3.134 -4.516 1.00 0.00 O ATOM 814 CB GLU A 51 -7.701 5.076 -7.425 1.00 0.00 C ATOM 815 CG GLU A 51 -8.199 6.528 -7.251 1.00 0.00 C ATOM 816 CD GLU A 51 -8.640 7.216 -8.552 1.00 0.00 C ATOM 817 OE1 GLU A 51 -8.429 6.665 -9.658 1.00 0.00 O ATOM 818 OE2 GLU A 51 -9.254 8.313 -8.482 1.00 0.00 O ATOM 0 H GLU A 51 -6.861 2.750 -7.316 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.355 5.193 -5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.971 5.049 -8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.539 4.451 -7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.037 6.529 -6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.404 7.118 -6.795 1.00 0.00 H new ATOM 825 N ASP A 52 -8.556 5.338 -4.389 1.00 0.00 N ATOM 826 CA ASP A 52 -9.450 5.367 -3.214 1.00 0.00 C ATOM 827 C ASP A 52 -10.916 4.897 -3.421 1.00 0.00 C ATOM 828 O ASP A 52 -11.329 4.537 -4.512 1.00 0.00 O ATOM 829 CB ASP A 52 -9.295 6.736 -2.481 1.00 0.00 C ATOM 830 CG ASP A 52 -9.048 7.962 -3.390 1.00 0.00 C ATOM 831 OD1 ASP A 52 -9.702 8.082 -4.448 1.00 0.00 O ATOM 832 OD2 ASP A 52 -8.122 8.766 -3.100 1.00 0.00 O ATOM 0 H ASP A 52 -8.357 6.276 -4.737 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.107 4.570 -2.554 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.196 6.917 -1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.467 6.658 -1.776 1.00 0.00 H new ATOM 837 N GLY A 53 -11.696 4.849 -2.339 1.00 0.00 N ATOM 838 CA GLY A 53 -13.135 4.502 -2.269 1.00 0.00 C ATOM 839 C GLY A 53 -13.480 3.037 -2.577 1.00 0.00 C ATOM 840 O GLY A 53 -14.508 2.532 -2.126 1.00 0.00 O ATOM 0 H GLY A 53 -11.320 5.066 -1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.500 4.740 -1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.678 5.139 -2.967 1.00 0.00 H new ATOM 844 N ARG A 54 -12.646 2.312 -3.336 1.00 0.00 N ATOM 845 CA ARG A 54 -12.825 0.896 -3.724 1.00 0.00 C ATOM 846 C ARG A 54 -12.426 -0.059 -2.592 1.00 0.00 C ATOM 847 O ARG A 54 -11.872 0.377 -1.584 1.00 0.00 O ATOM 848 CB ARG A 54 -12.010 0.635 -5.013 1.00 0.00 C ATOM 849 CG ARG A 54 -12.559 1.375 -6.248 1.00 0.00 C ATOM 850 CD ARG A 54 -13.898 0.772 -6.713 1.00 0.00 C ATOM 851 NE ARG A 54 -14.983 1.764 -6.837 1.00 0.00 N ATOM 852 CZ ARG A 54 -16.231 1.476 -7.163 1.00 0.00 C ATOM 853 NH1 ARG A 54 -16.631 0.270 -7.440 1.00 0.00 N ATOM 854 NH2 ARG A 54 -17.156 2.386 -7.227 1.00 0.00 N ATOM 0 H ARG A 54 -11.787 2.710 -3.716 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.880 0.703 -3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.976 0.938 -4.847 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.999 -0.436 -5.216 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.696 2.430 -6.011 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.833 1.322 -7.059 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.752 0.284 -7.677 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.203 -0.001 -6.007 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.754 2.742 -6.658 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.970 -0.506 -7.411 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.606 0.100 -7.686 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.929 3.359 -7.022 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.109 2.127 -7.482 1.00 0.00 H new ATOM 868 N THR A 55 -12.656 -1.362 -2.759 1.00 0.00 N ATOM 869 CA THR A 55 -12.175 -2.433 -1.856 1.00 0.00 C ATOM 870 C THR A 55 -11.237 -3.386 -2.608 1.00 0.00 C ATOM 871 O THR A 55 -11.189 -3.413 -3.840 1.00 0.00 O ATOM 872 CB THR A 55 -13.352 -3.249 -1.290 1.00 0.00 C ATOM 873 OG1 THR A 55 -14.174 -3.715 -2.339 1.00 0.00 O ATOM 874 CG2 THR A 55 -14.192 -2.457 -0.290 1.00 0.00 C ATOM 0 H THR A 55 -13.196 -1.722 -3.546 1.00 0.00 H new ATOM 0 HA THR A 55 -11.640 -1.954 -1.036 1.00 0.00 H new ATOM 0 HB THR A 55 -12.919 -4.094 -0.754 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.917 -4.234 -1.966 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.007 -3.082 0.076 1.00 0.00 H new ATOM 0 HG22 THR A 55 -13.566 -2.149 0.548 1.00 0.00 H new ATOM 0 HG23 THR A 55 -14.603 -1.574 -0.779 1.00 0.00 H new ATOM 882 N LEU A 56 -10.492 -4.190 -1.844 1.00 0.00 N ATOM 883 CA LEU A 56 -9.543 -5.191 -2.351 1.00 0.00 C ATOM 884 C LEU A 56 -10.179 -6.154 -3.361 1.00 0.00 C ATOM 885 O LEU A 56 -9.657 -6.326 -4.461 1.00 0.00 O ATOM 886 CB LEU A 56 -9.029 -5.999 -1.155 1.00 0.00 C ATOM 887 CG LEU A 56 -8.124 -5.213 -0.192 1.00 0.00 C ATOM 888 CD1 LEU A 56 -7.912 -6.035 1.071 1.00 0.00 C ATOM 889 CD2 LEU A 56 -6.754 -4.923 -0.811 1.00 0.00 C ATOM 0 H LEU A 56 -10.532 -4.163 -0.825 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.740 -4.666 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.884 -6.382 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.478 -6.863 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.614 -4.265 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.271 -5.485 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.874 -6.227 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.439 -6.983 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.144 -4.366 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.259 -5.863 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.882 -4.333 -1.719 1.00 0.00 H new ATOM 901 N SER A 57 -11.319 -6.750 -2.999 1.00 0.00 N ATOM 902 CA SER A 57 -12.035 -7.684 -3.874 1.00 0.00 C ATOM 903 C SER A 57 -12.492 -7.068 -5.204 1.00 0.00 C ATOM 904 O SER A 57 -12.616 -7.805 -6.180 1.00 0.00 O ATOM 905 CB SER A 57 -13.250 -8.261 -3.143 1.00 0.00 C ATOM 906 OG SER A 57 -13.884 -9.241 -3.944 1.00 0.00 O ATOM 0 H SER A 57 -11.770 -6.600 -2.096 1.00 0.00 H new ATOM 0 HA SER A 57 -11.319 -8.468 -4.121 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.938 -8.701 -2.196 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.954 -7.463 -2.907 1.00 0.00 H new ATOM 0 HG SER A 57 -14.658 -9.604 -3.465 1.00 0.00 H new ATOM 912 N ASP A 58 -12.747 -5.754 -5.274 1.00 0.00 N ATOM 913 CA ASP A 58 -13.221 -5.105 -6.516 1.00 0.00 C ATOM 914 C ASP A 58 -12.023 -4.914 -7.477 1.00 0.00 C ATOM 915 O ASP A 58 -12.176 -5.055 -8.692 1.00 0.00 O ATOM 916 CB ASP A 58 -13.866 -3.751 -6.165 1.00 0.00 C ATOM 917 CG ASP A 58 -14.815 -3.206 -7.248 1.00 0.00 C ATOM 918 OD1 ASP A 58 -15.333 -3.977 -8.091 1.00 0.00 O ATOM 919 OD2 ASP A 58 -15.099 -1.990 -7.214 1.00 0.00 O ATOM 0 H ASP A 58 -12.634 -5.115 -4.487 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.967 -5.728 -7.009 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.419 -3.856 -5.232 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.077 -3.020 -5.988 1.00 0.00 H new ATOM 924 N TYR A 59 -10.814 -4.705 -6.932 1.00 0.00 N ATOM 925 CA TYR A 59 -9.524 -4.885 -7.611 1.00 0.00 C ATOM 926 C TYR A 59 -9.053 -6.333 -7.875 1.00 0.00 C ATOM 927 O TYR A 59 -7.951 -6.544 -8.380 1.00 0.00 O ATOM 928 CB TYR A 59 -8.438 -3.989 -6.978 1.00 0.00 C ATOM 929 CG TYR A 59 -8.370 -2.550 -7.462 1.00 0.00 C ATOM 930 CD1 TYR A 59 -7.713 -2.276 -8.679 1.00 0.00 C ATOM 931 CD2 TYR A 59 -8.837 -1.487 -6.660 1.00 0.00 C ATOM 932 CE1 TYR A 59 -7.490 -0.945 -9.081 1.00 0.00 C ATOM 933 CE2 TYR A 59 -8.611 -0.152 -7.058 1.00 0.00 C ATOM 934 CZ TYR A 59 -7.925 0.117 -8.263 1.00 0.00 C ATOM 935 OH TYR A 59 -7.624 1.397 -8.613 1.00 0.00 O ATOM 0 H TYR A 59 -10.706 -4.393 -5.967 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.713 -4.545 -8.629 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.593 -3.978 -5.899 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.468 -4.454 -7.156 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.379 -3.090 -9.305 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.367 -1.695 -5.742 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.987 -0.738 -10.014 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.962 0.663 -6.442 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.697 1.441 -8.928 1.00 0.00 H new ATOM 945 N ASN A 60 -9.877 -7.335 -7.534 1.00 0.00 N ATOM 946 CA ASN A 60 -9.585 -8.779 -7.606 1.00 0.00 C ATOM 947 C ASN A 60 -8.399 -9.236 -6.719 1.00 0.00 C ATOM 948 O ASN A 60 -7.804 -10.288 -6.955 1.00 0.00 O ATOM 949 CB ASN A 60 -9.472 -9.210 -9.088 1.00 0.00 C ATOM 950 CG ASN A 60 -9.695 -10.700 -9.293 1.00 0.00 C ATOM 951 OD1 ASN A 60 -8.787 -11.479 -9.527 1.00 0.00 O ATOM 952 ND2 ASN A 60 -10.932 -11.137 -9.279 1.00 0.00 N ATOM 0 H ASN A 60 -10.816 -7.152 -7.181 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.427 -9.312 -7.164 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.201 -8.655 -9.679 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.485 -8.941 -9.464 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.127 -12.121 -9.463 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.698 -10.493 -9.084 1.00 0.00 H new ATOM 959 N ILE A 61 -8.046 -8.471 -5.683 1.00 0.00 N ATOM 960 CA ILE A 61 -6.905 -8.762 -4.800 1.00 0.00 C ATOM 961 C ILE A 61 -7.272 -9.892 -3.819 1.00 0.00 C ATOM 962 O ILE A 61 -7.967 -9.679 -2.825 1.00 0.00 O ATOM 963 CB ILE A 61 -6.405 -7.480 -4.093 1.00 0.00 C ATOM 964 CG1 ILE A 61 -6.205 -6.339 -5.120 1.00 0.00 C ATOM 965 CG2 ILE A 61 -5.110 -7.797 -3.322 1.00 0.00 C ATOM 966 CD1 ILE A 61 -5.518 -5.070 -4.604 1.00 0.00 C ATOM 0 H ILE A 61 -8.548 -7.621 -5.428 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.067 -9.118 -5.399 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.152 -7.137 -3.377 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.621 -6.729 -5.954 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.182 -6.061 -5.517 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.754 -6.896 -2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.309 -8.570 -2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.349 -8.150 -4.018 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.435 -4.346 -5.414 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.107 -4.642 -3.793 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.522 -5.319 -4.237 1.00 0.00 H new ATOM 978 N GLN A 62 -6.816 -11.111 -4.129 1.00 0.00 N ATOM 979 CA GLN A 62 -7.090 -12.340 -3.372 1.00 0.00 C ATOM 980 C GLN A 62 -6.239 -12.466 -2.093 1.00 0.00 C ATOM 981 O GLN A 62 -5.274 -11.724 -1.887 1.00 0.00 O ATOM 982 CB GLN A 62 -6.799 -13.571 -4.255 1.00 0.00 C ATOM 983 CG GLN A 62 -7.434 -13.571 -5.662 1.00 0.00 C ATOM 984 CD GLN A 62 -6.394 -13.758 -6.766 1.00 0.00 C ATOM 985 OE1 GLN A 62 -5.443 -14.523 -6.630 1.00 0.00 O ATOM 986 NE2 GLN A 62 -6.524 -13.079 -7.885 1.00 0.00 N ATOM 0 H GLN A 62 -6.224 -11.276 -4.943 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.139 -12.291 -3.080 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.719 -13.663 -4.368 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.141 -14.460 -3.725 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.175 -14.368 -5.724 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.963 -12.631 -5.820 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.311 -12.441 -8.006 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.838 -13.190 -8.632 1.00 0.00 H new ATOM 995 N LYS A 63 -6.520 -13.505 -1.293 1.00 0.00 N ATOM 996 CA LYS A 63 -5.579 -14.064 -0.303 1.00 0.00 C ATOM 997 C LYS A 63 -4.222 -14.401 -0.958 1.00 0.00 C ATOM 998 O LYS A 63 -4.157 -14.772 -2.133 1.00 0.00 O ATOM 999 CB LYS A 63 -6.207 -15.321 0.350 1.00 0.00 C ATOM 1000 CG LYS A 63 -6.146 -16.556 -0.575 1.00 0.00 C ATOM 1001 CD LYS A 63 -6.901 -17.796 -0.082 1.00 0.00 C ATOM 1002 CE LYS A 63 -6.458 -18.958 -0.981 1.00 0.00 C ATOM 1003 NZ LYS A 63 -7.199 -20.217 -0.739 1.00 0.00 N ATOM 0 H LYS A 63 -7.418 -13.989 -1.313 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.391 -13.318 0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.686 -15.542 1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.246 -15.113 0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.543 -16.276 -1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.100 -16.825 -0.722 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.668 -18.003 0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.979 -17.645 -0.145 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.585 -18.667 -2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.394 -19.138 -0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.847 -20.956 -1.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.059 -20.519 0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.213 -20.062 -0.912 1.00 0.00 H new ATOM 1017 N GLU A 64 -3.149 -14.333 -0.170 1.00 0.00 N ATOM 1018 CA GLU A 64 -1.795 -14.784 -0.544 1.00 0.00 C ATOM 1019 C GLU A 64 -1.261 -14.129 -1.844 1.00 0.00 C ATOM 1020 O GLU A 64 -0.498 -14.722 -2.614 1.00 0.00 O ATOM 1021 CB GLU A 64 -1.712 -16.326 -0.496 1.00 0.00 C ATOM 1022 CG GLU A 64 -1.871 -16.845 0.951 1.00 0.00 C ATOM 1023 CD GLU A 64 -1.998 -18.373 1.089 1.00 0.00 C ATOM 1024 OE1 GLU A 64 -2.390 -19.072 0.126 1.00 0.00 O ATOM 1025 OE2 GLU A 64 -1.756 -18.875 2.214 1.00 0.00 O ATOM 0 H GLU A 64 -3.192 -13.952 0.775 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.092 -14.419 0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.490 -16.755 -1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.755 -16.655 -0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.013 -16.514 1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.754 -16.382 1.391 1.00 0.00 H new ATOM 1032 N SER A 65 -1.698 -12.887 -2.090 1.00 0.00 N ATOM 1033 CA SER A 65 -1.363 -12.070 -3.256 1.00 0.00 C ATOM 1034 C SER A 65 -0.129 -11.186 -3.047 1.00 0.00 C ATOM 1035 O SER A 65 0.127 -10.691 -1.946 1.00 0.00 O ATOM 1036 CB SER A 65 -2.578 -11.225 -3.667 1.00 0.00 C ATOM 1037 OG SER A 65 -3.037 -10.434 -2.588 1.00 0.00 O ATOM 0 H SER A 65 -2.326 -12.404 -1.447 1.00 0.00 H new ATOM 0 HA SER A 65 -1.103 -12.757 -4.061 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.311 -10.582 -4.505 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.380 -11.879 -4.010 1.00 0.00 H new ATOM 0 HG SER A 65 -3.924 -10.744 -2.310 1.00 0.00 H new ATOM 1043 N THR A 66 0.632 -10.978 -4.127 1.00 0.00 N ATOM 1044 CA THR A 66 1.859 -10.154 -4.165 1.00 0.00 C ATOM 1045 C THR A 66 1.694 -8.739 -4.739 1.00 0.00 C ATOM 1046 O THR A 66 1.949 -8.484 -5.918 1.00 0.00 O ATOM 1047 CB THR A 66 3.068 -10.901 -4.782 1.00 0.00 C ATOM 1048 OG1 THR A 66 3.012 -12.303 -4.586 1.00 0.00 O ATOM 1049 CG2 THR A 66 4.393 -10.409 -4.207 1.00 0.00 C ATOM 0 H THR A 66 0.408 -11.390 -5.033 1.00 0.00 H new ATOM 0 HA THR A 66 2.081 -9.987 -3.111 1.00 0.00 H new ATOM 0 HB THR A 66 3.011 -10.685 -5.849 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.797 -12.722 -4.996 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.215 -10.958 -4.666 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.507 -9.345 -4.414 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.405 -10.572 -3.129 1.00 0.00 H new ATOM 1057 N LEU A 67 1.285 -7.778 -3.907 1.00 0.00 N ATOM 1058 CA LEU A 67 1.368 -6.363 -4.270 1.00 0.00 C ATOM 1059 C LEU A 67 2.835 -5.945 -4.442 1.00 0.00 C ATOM 1060 O LEU A 67 3.738 -6.493 -3.820 1.00 0.00 O ATOM 1061 CB LEU A 67 0.654 -5.466 -3.243 1.00 0.00 C ATOM 1062 CG LEU A 67 -0.860 -5.738 -3.147 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -1.234 -6.615 -1.952 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -1.605 -4.410 -2.997 1.00 0.00 C ATOM 0 H LEU A 67 0.895 -7.954 -2.981 1.00 0.00 H new ATOM 0 HA LEU A 67 0.853 -6.230 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.106 -5.616 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.813 -4.421 -3.511 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.140 -6.264 -4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.313 -6.771 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.729 -7.578 -2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.927 -6.123 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.676 -4.599 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.268 -3.904 -2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.402 -3.779 -3.863 1.00 0.00 H new ATOM 1076 N HIS A 68 3.074 -4.966 -5.298 1.00 0.00 N ATOM 1077 CA HIS A 68 4.369 -4.387 -5.612 1.00 0.00 C ATOM 1078 C HIS A 68 4.432 -2.973 -5.142 1.00 0.00 C ATOM 1079 O HIS A 68 3.459 -2.361 -4.691 1.00 0.00 O ATOM 1080 CB HIS A 68 4.673 -4.491 -7.111 1.00 0.00 C ATOM 1081 CG HIS A 68 4.871 -5.903 -7.634 1.00 0.00 C ATOM 1082 ND1 HIS A 68 4.062 -7.009 -7.437 1.00 0.00 N ATOM 1083 CD2 HIS A 68 5.883 -6.296 -8.455 1.00 0.00 C ATOM 1084 CE1 HIS A 68 4.613 -8.042 -8.101 1.00 0.00 C ATOM 1085 NE2 HIS A 68 5.725 -7.658 -8.736 1.00 0.00 N ATOM 0 H HIS A 68 2.320 -4.526 -5.826 1.00 0.00 H new ATOM 0 HA HIS A 68 5.136 -4.955 -5.086 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.856 -4.027 -7.664 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.572 -3.912 -7.324 1.00 0.00 H new ATOM 0 HD1 HIS A 68 3.203 -7.036 -6.888 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.675 -5.663 -8.827 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.212 -9.044 -8.118 1.00 0.00 H new ATOM 1093 N LEU A 69 5.644 -2.476 -5.244 1.00 0.00 N ATOM 1094 CA LEU A 69 5.926 -1.148 -4.867 1.00 0.00 C ATOM 1095 C LEU A 69 6.789 -0.377 -5.856 1.00 0.00 C ATOM 1096 O LEU A 69 7.676 -0.937 -6.496 1.00 0.00 O ATOM 1097 CB LEU A 69 6.598 -1.104 -3.508 1.00 0.00 C ATOM 1098 CG LEU A 69 6.881 0.216 -2.778 1.00 0.00 C ATOM 1099 CD1 LEU A 69 5.573 0.902 -2.427 1.00 0.00 C ATOM 1100 CD2 LEU A 69 7.653 -0.051 -1.486 1.00 0.00 C ATOM 0 H LEU A 69 6.448 -2.997 -5.593 1.00 0.00 H new ATOM 0 HA LEU A 69 4.952 -0.659 -4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.988 -1.709 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.555 -1.614 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 69 7.473 0.853 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.781 1.838 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.014 1.108 -3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.984 0.252 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.848 0.893 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.063 -0.698 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.599 -0.538 -1.722 1.00 0.00 H new ATOM 1112 N VAL A 70 6.608 0.941 -5.835 1.00 0.00 N ATOM 1113 CA VAL A 70 7.665 1.895 -6.150 1.00 0.00 C ATOM 1114 C VAL A 70 7.985 2.914 -5.096 1.00 0.00 C ATOM 1115 O VAL A 70 7.161 3.223 -4.250 1.00 0.00 O ATOM 1116 CB VAL A 70 7.431 2.749 -7.426 1.00 0.00 C ATOM 1117 CG1 VAL A 70 8.742 3.097 -8.169 1.00 0.00 C ATOM 1118 CG2 VAL A 70 6.521 2.046 -8.445 1.00 0.00 C ATOM 0 H VAL A 70 5.718 1.379 -5.597 1.00 0.00 H new ATOM 0 HA VAL A 70 8.483 1.185 -6.270 1.00 0.00 H new ATOM 0 HB VAL A 70 6.959 3.658 -7.052 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.513 3.694 -9.051 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.396 3.664 -7.507 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.243 2.178 -8.473 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.390 2.686 -9.318 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.977 1.104 -8.751 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.550 1.849 -7.991 1.00 0.00 H new ATOM 1128 N LEU A 71 9.119 3.567 -5.282 1.00 0.00 N ATOM 1129 CA LEU A 71 9.281 4.947 -4.886 1.00 0.00 C ATOM 1130 C LEU A 71 8.433 6.029 -5.555 1.00 0.00 C ATOM 1131 O LEU A 71 7.829 5.859 -6.614 1.00 0.00 O ATOM 1132 CB LEU A 71 10.739 5.395 -5.037 1.00 0.00 C ATOM 1133 CG LEU A 71 11.695 4.739 -4.021 1.00 0.00 C ATOM 1134 CD1 LEU A 71 13.144 4.918 -4.474 1.00 0.00 C ATOM 1135 CD2 LEU A 71 11.553 5.350 -2.624 1.00 0.00 C ATOM 0 H LEU A 71 9.948 3.154 -5.710 1.00 0.00 H new ATOM 0 HA LEU A 71 8.920 4.890 -3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.079 5.162 -6.046 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.791 6.478 -4.925 1.00 0.00 H new ATOM 0 HG LEU A 71 11.431 3.682 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.812 4.451 -3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.281 4.450 -5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.374 5.981 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.245 4.858 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.781 6.415 -2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.532 5.212 -2.269 1.00 0.00 H new