USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 762 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 HIS : no HD1:sc= -0.165 X(o=-2.5,f=-2.8) USER MOD Set 1.2: B 46 MET CE :methyl 157:sc= -2.31 (180deg=-2.99!) USER MOD Set 2.1: A 46 MET CE :methyl 146:sc= -0.34 (180deg=-3.16!) USER MOD Set 2.2: B 24 HIS : no HD1:sc= -1.4 K(o=-1.7,f=-3.2!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= 1.21 (180deg=0.934) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= -0.0671 (180deg=-0.357) USER MOD Single : A 12 ASN : amide:sc= 1.11 K(o=1.1,f=-0.058) USER MOD Single : A 13 LYS NZ :NH3+ 169:sc= 1.54 (180deg=1.41) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 2.02 (180deg=1.78) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 28 HIS : no HD1:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= 1.22 (180deg=1.12) USER MOD Single : A 35 SER OG : rot -84:sc= 1.25 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.74 K(o=0.74,f=-0.41) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -156:sc= 1.21 (180deg=0.717) USER MOD Single : B 8 ASN : amide:sc= -0.0569 K(o=-0.057,f=-1!) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0.569 (180deg=0.569) USER MOD Single : B 14 LYS NZ :NH3+ -179:sc= 1.3 (180deg=1.25) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 28 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.15) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 SER OG : rot -94:sc= 1.23 USER MOD Single : B 40 LYS NZ :NH3+ -131:sc= -0.545 (180deg=-1.39!) USER MOD Single : B 43 ASN : amide:sc= 0.67 K(o=0.67,f=-0.33) USER MOD Single : B 44 LYS NZ :NH3+ -169:sc=-0.00672 (180deg=-0.129) USER MOD ----------------------------------------------------------------- ATOM 59 N GLN A 5 15.700 -13.338 2.777 1.00 0.00 N ATOM 60 CA GLN A 5 16.500 -12.138 2.594 1.00 0.00 C ATOM 61 C GLN A 5 15.739 -11.149 1.717 1.00 0.00 C ATOM 62 O GLN A 5 15.833 -9.945 1.900 1.00 0.00 O ATOM 63 CB GLN A 5 17.874 -12.470 1.981 1.00 0.00 C ATOM 64 CG GLN A 5 17.875 -12.773 0.492 1.00 0.00 C ATOM 65 CD GLN A 5 19.240 -13.148 -0.026 1.00 0.00 C ATOM 66 OE1 GLN A 5 19.607 -14.323 -0.048 1.00 0.00 O ATOM 67 NE2 GLN A 5 20.007 -12.176 -0.423 1.00 0.00 N ATOM 0 HA GLN A 5 16.681 -11.686 3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.545 -11.630 2.163 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.289 -13.329 2.508 1.00 0.00 H new ATOM 0 HG2 GLN A 5 17.179 -13.587 0.291 1.00 0.00 H new ATOM 0 HG3 GLN A 5 17.512 -11.901 -0.052 1.00 0.00 H new ATOM 0 HE21 GLN A 5 19.669 -11.214 -0.391 1.00 0.00 H new ATOM 0 HE22 GLN A 5 20.946 -12.375 -0.767 1.00 0.00 H new ATOM 76 N LEU A 6 14.946 -11.682 0.800 1.00 0.00 N ATOM 77 CA LEU A 6 14.160 -10.881 -0.096 1.00 0.00 C ATOM 78 C LEU A 6 13.017 -10.254 0.681 1.00 0.00 C ATOM 79 O LEU A 6 12.740 -9.065 0.545 1.00 0.00 O ATOM 80 CB LEU A 6 13.677 -11.754 -1.297 1.00 0.00 C ATOM 81 CG LEU A 6 12.800 -11.095 -2.398 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.364 -10.920 -1.957 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.380 -9.762 -2.840 1.00 0.00 C ATOM 0 H LEU A 6 14.836 -12.687 0.664 1.00 0.00 H new ATOM 0 HA LEU A 6 14.753 -10.070 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.562 -12.165 -1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.117 -12.595 -0.889 1.00 0.00 H new ATOM 0 HG LEU A 6 12.804 -11.777 -3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.791 -10.456 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.935 -11.894 -1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.330 -10.284 -1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.744 -9.326 -3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.431 -9.086 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.382 -9.916 -3.241 1.00 0.00 H new ATOM 95 N LYS A 7 12.379 -11.056 1.514 1.00 0.00 N ATOM 96 CA LYS A 7 11.294 -10.582 2.352 1.00 0.00 C ATOM 97 C LYS A 7 11.827 -9.584 3.372 1.00 0.00 C ATOM 98 O LYS A 7 11.124 -8.670 3.770 1.00 0.00 O ATOM 99 CB LYS A 7 10.590 -11.753 3.043 1.00 0.00 C ATOM 100 CG LYS A 7 9.070 -11.785 2.830 1.00 0.00 C ATOM 101 CD LYS A 7 8.305 -10.652 3.547 1.00 0.00 C ATOM 102 CE LYS A 7 8.382 -10.773 5.070 1.00 0.00 C ATOM 103 NZ LYS A 7 7.501 -9.798 5.763 1.00 0.00 N ATOM 0 H LYS A 7 12.596 -12.046 1.628 1.00 0.00 H new ATOM 0 HA LYS A 7 10.558 -10.079 1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.017 -12.687 2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.795 -11.706 4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.863 -11.728 1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.686 -12.744 3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.714 -9.689 3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.261 -10.668 3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.103 -11.784 5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.412 -10.620 5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.664 -9.851 6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.715 -8.837 5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.506 -10.023 5.559 1.00 0.00 H new ATOM 117 N ASN A 8 13.078 -9.769 3.786 1.00 0.00 N ATOM 118 CA ASN A 8 13.741 -8.825 4.684 1.00 0.00 C ATOM 119 C ASN A 8 13.932 -7.496 3.962 1.00 0.00 C ATOM 120 O ASN A 8 13.701 -6.429 4.531 1.00 0.00 O ATOM 121 CB ASN A 8 15.103 -9.349 5.159 1.00 0.00 C ATOM 122 CG ASN A 8 15.761 -8.417 6.171 1.00 0.00 C ATOM 123 OD1 ASN A 8 15.088 -7.764 6.967 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.058 -8.323 6.133 1.00 0.00 N ATOM 0 H ASN A 8 13.654 -10.565 3.514 1.00 0.00 H new ATOM 0 HA ASN A 8 13.110 -8.695 5.563 1.00 0.00 H new ATOM 0 HB2 ASN A 8 14.975 -10.335 5.606 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.762 -9.472 4.300 1.00 0.00 H new ATOM 0 HD21 ASN A 8 17.543 -7.695 6.774 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.590 -8.877 5.462 1.00 0.00 H new ATOM 131 N LYS A 9 14.354 -7.564 2.701 1.00 0.00 N ATOM 132 CA LYS A 9 14.482 -6.366 1.873 1.00 0.00 C ATOM 133 C LYS A 9 13.140 -5.683 1.742 1.00 0.00 C ATOM 134 O LYS A 9 13.052 -4.472 1.856 1.00 0.00 O ATOM 135 CB LYS A 9 15.042 -6.682 0.492 1.00 0.00 C ATOM 136 CG LYS A 9 16.456 -7.188 0.501 1.00 0.00 C ATOM 137 CD LYS A 9 16.967 -7.404 -0.903 1.00 0.00 C ATOM 138 CE LYS A 9 18.407 -7.874 -0.892 1.00 0.00 C ATOM 139 NZ LYS A 9 19.313 -6.889 -0.256 1.00 0.00 N ATOM 0 H LYS A 9 14.612 -8.432 2.232 1.00 0.00 H new ATOM 0 HA LYS A 9 15.187 -5.699 2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.405 -7.427 0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 9 14.994 -5.782 -0.122 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.097 -6.474 1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.507 -8.124 1.057 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.344 -8.141 -1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 9 16.888 -6.476 -1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.474 -8.823 -0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.735 -8.059 -1.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.299 -7.122 -0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.090 -5.935 -0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.187 -6.917 0.776 1.00 0.00 H new ATOM 153 N ILE A 10 12.101 -6.481 1.521 1.00 0.00 N ATOM 154 CA ILE A 10 10.718 -5.997 1.491 1.00 0.00 C ATOM 155 C ILE A 10 10.390 -5.263 2.788 1.00 0.00 C ATOM 156 O ILE A 10 9.870 -4.158 2.743 1.00 0.00 O ATOM 157 CB ILE A 10 9.705 -7.181 1.287 1.00 0.00 C ATOM 158 CG1 ILE A 10 9.839 -7.756 -0.123 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.258 -6.758 1.570 1.00 0.00 C ATOM 160 CD1 ILE A 10 8.958 -8.957 -0.409 1.00 0.00 C ATOM 0 H ILE A 10 12.190 -7.484 1.357 1.00 0.00 H new ATOM 0 HA ILE A 10 10.622 -5.312 0.649 1.00 0.00 H new ATOM 0 HB ILE A 10 9.956 -7.957 2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.605 -6.972 -0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.879 -8.039 -0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.594 -7.608 1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.174 -6.414 2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.976 -5.950 0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.123 -9.294 -1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.205 -9.763 0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.912 -8.679 -0.283 1.00 0.00 H new ATOM 172 N GLU A 11 10.742 -5.857 3.924 1.00 0.00 N ATOM 173 CA GLU A 11 10.516 -5.237 5.229 1.00 0.00 C ATOM 174 C GLU A 11 11.170 -3.886 5.311 1.00 0.00 C ATOM 175 O GLU A 11 10.513 -2.896 5.608 1.00 0.00 O ATOM 176 CB GLU A 11 11.058 -6.111 6.350 1.00 0.00 C ATOM 177 CG GLU A 11 10.314 -7.395 6.520 1.00 0.00 C ATOM 178 CD GLU A 11 8.876 -7.140 6.808 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.532 -6.875 7.965 1.00 0.00 O ATOM 180 OE2 GLU A 11 8.053 -7.202 5.885 1.00 0.00 O ATOM 0 H GLU A 11 11.188 -6.773 3.969 1.00 0.00 H new ATOM 0 HA GLU A 11 9.438 -5.123 5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.107 -6.332 6.152 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.021 -5.553 7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.407 -7.997 5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.756 -7.971 7.333 1.00 0.00 H new ATOM 187 N ASN A 12 12.445 -3.856 5.010 1.00 0.00 N ATOM 188 CA ASN A 12 13.226 -2.670 5.020 1.00 0.00 C ATOM 189 C ASN A 12 12.667 -1.631 4.080 1.00 0.00 C ATOM 190 O ASN A 12 12.429 -0.519 4.485 1.00 0.00 O ATOM 191 CB ASN A 12 14.671 -2.991 4.659 1.00 0.00 C ATOM 192 CG ASN A 12 15.485 -3.603 5.796 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.091 -2.887 6.600 1.00 0.00 O ATOM 194 ND2 ASN A 12 15.518 -4.907 5.878 1.00 0.00 N ATOM 0 H ASN A 12 12.972 -4.688 4.745 1.00 0.00 H new ATOM 0 HA ASN A 12 13.194 -2.255 6.027 1.00 0.00 H new ATOM 0 HB2 ASN A 12 14.677 -3.679 3.813 1.00 0.00 H new ATOM 0 HB3 ASN A 12 15.162 -2.076 4.329 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.054 -5.358 6.620 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.008 -5.474 5.200 1.00 0.00 H new ATOM 201 N LYS A 13 12.389 -2.032 2.850 1.00 0.00 N ATOM 202 CA LYS A 13 11.916 -1.128 1.804 1.00 0.00 C ATOM 203 C LYS A 13 10.559 -0.517 2.178 1.00 0.00 C ATOM 204 O LYS A 13 10.326 0.678 1.984 1.00 0.00 O ATOM 205 CB LYS A 13 11.818 -1.884 0.477 1.00 0.00 C ATOM 206 CG LYS A 13 11.830 -0.996 -0.756 1.00 0.00 C ATOM 207 CD LYS A 13 13.110 -0.189 -0.844 1.00 0.00 C ATOM 208 CE LYS A 13 14.359 -1.040 -0.827 1.00 0.00 C ATOM 209 NZ LYS A 13 15.560 -0.197 -0.901 1.00 0.00 N ATOM 0 H LYS A 13 12.485 -3.000 2.543 1.00 0.00 H new ATOM 0 HA LYS A 13 12.630 -0.311 1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.649 -2.587 0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.901 -2.473 0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.723 -1.611 -1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.974 -0.322 -0.729 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.095 0.403 -1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.146 0.513 -0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.385 -1.640 0.083 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.344 -1.735 -1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.402 -0.774 -0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.638 0.213 -1.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.491 0.568 -0.200 1.00 0.00 H new ATOM 223 N LYS A 14 9.692 -1.358 2.702 1.00 0.00 N ATOM 224 CA LYS A 14 8.393 -0.996 3.223 1.00 0.00 C ATOM 225 C LYS A 14 8.572 0.082 4.287 1.00 0.00 C ATOM 226 O LYS A 14 7.990 1.144 4.202 1.00 0.00 O ATOM 227 CB LYS A 14 7.794 -2.265 3.845 1.00 0.00 C ATOM 228 CG LYS A 14 6.403 -2.166 4.433 1.00 0.00 C ATOM 229 CD LYS A 14 5.977 -3.510 5.039 1.00 0.00 C ATOM 230 CE LYS A 14 6.810 -3.864 6.256 1.00 0.00 C ATOM 231 NZ LYS A 14 6.498 -5.206 6.812 1.00 0.00 N ATOM 0 H LYS A 14 9.883 -2.357 2.779 1.00 0.00 H new ATOM 0 HA LYS A 14 7.737 -0.608 2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.781 -3.041 3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.468 -2.604 4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.381 -1.392 5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.695 -1.869 3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.924 -3.466 5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.075 -4.295 4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.866 -3.826 5.988 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.650 -3.112 7.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.985 -5.326 7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.471 -5.293 6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.819 -5.940 6.148 1.00 0.00 H new ATOM 245 N LYS A 15 9.441 -0.202 5.242 1.00 0.00 N ATOM 246 CA LYS A 15 9.751 0.700 6.350 1.00 0.00 C ATOM 247 C LYS A 15 10.389 2.001 5.859 1.00 0.00 C ATOM 248 O LYS A 15 10.068 3.087 6.360 1.00 0.00 O ATOM 249 CB LYS A 15 10.620 -0.039 7.368 1.00 0.00 C ATOM 250 CG LYS A 15 9.849 -1.146 8.085 1.00 0.00 C ATOM 251 CD LYS A 15 10.766 -2.190 8.707 1.00 0.00 C ATOM 252 CE LYS A 15 9.969 -3.195 9.524 1.00 0.00 C ATOM 253 NZ LYS A 15 10.820 -4.232 10.144 1.00 0.00 N ATOM 0 H LYS A 15 9.962 -1.078 5.274 1.00 0.00 H new ATOM 0 HA LYS A 15 8.826 0.999 6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.484 -0.469 6.862 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.001 0.671 8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.227 -0.705 8.863 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.178 -1.633 7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.318 -2.709 7.923 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.502 -1.700 9.344 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.420 -2.668 10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.230 -3.674 8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.225 -4.889 10.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.325 -4.756 9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.509 -3.781 10.780 1.00 0.00 H new ATOM 267 N GLU A 16 11.256 1.885 4.858 1.00 0.00 N ATOM 268 CA GLU A 16 11.868 3.033 4.192 1.00 0.00 C ATOM 269 C GLU A 16 10.775 3.947 3.630 1.00 0.00 C ATOM 270 O GLU A 16 10.815 5.178 3.788 1.00 0.00 O ATOM 271 CB GLU A 16 12.792 2.559 3.046 1.00 0.00 C ATOM 272 CG GLU A 16 14.072 1.859 3.482 1.00 0.00 C ATOM 273 CD GLU A 16 14.842 1.236 2.317 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.174 1.946 1.337 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.134 0.031 2.356 1.00 0.00 O ATOM 0 H GLU A 16 11.557 0.986 4.482 1.00 0.00 H new ATOM 0 HA GLU A 16 12.464 3.585 4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.228 1.881 2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.060 3.423 2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.715 2.576 3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.825 1.081 4.204 1.00 0.00 H new ATOM 282 N LEU A 17 9.795 3.334 3.013 1.00 0.00 N ATOM 283 CA LEU A 17 8.683 4.040 2.428 1.00 0.00 C ATOM 284 C LEU A 17 7.784 4.637 3.498 1.00 0.00 C ATOM 285 O LEU A 17 7.320 5.772 3.354 1.00 0.00 O ATOM 286 CB LEU A 17 7.923 3.105 1.439 1.00 0.00 C ATOM 287 CG LEU A 17 6.505 3.494 0.961 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.449 3.219 2.001 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.444 4.918 0.430 1.00 0.00 C ATOM 0 H LEU A 17 9.747 2.321 2.902 1.00 0.00 H new ATOM 0 HA LEU A 17 9.056 4.886 1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.547 2.991 0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.852 2.123 1.907 1.00 0.00 H new ATOM 0 HG LEU A 17 6.276 2.842 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.473 3.510 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.442 2.156 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.668 3.792 2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.427 5.143 0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.736 5.613 1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.124 5.021 -0.415 1.00 0.00 H new ATOM 301 N ILE A 18 7.536 3.884 4.556 1.00 0.00 N ATOM 302 CA ILE A 18 6.665 4.344 5.625 1.00 0.00 C ATOM 303 C ILE A 18 7.200 5.650 6.200 1.00 0.00 C ATOM 304 O ILE A 18 6.453 6.585 6.425 1.00 0.00 O ATOM 305 CB ILE A 18 6.505 3.293 6.758 1.00 0.00 C ATOM 306 CG1 ILE A 18 5.911 2.005 6.201 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.600 3.844 7.866 1.00 0.00 C ATOM 308 CD1 ILE A 18 5.975 0.837 7.152 1.00 0.00 C ATOM 0 H ILE A 18 7.925 2.952 4.698 1.00 0.00 H new ATOM 0 HA ILE A 18 5.677 4.502 5.192 1.00 0.00 H new ATOM 0 HB ILE A 18 7.489 3.079 7.175 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.870 2.184 5.932 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.437 1.742 5.283 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.495 3.099 8.654 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.042 4.750 8.280 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.618 4.075 7.453 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.532 -0.041 6.681 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.015 0.628 7.403 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.424 1.077 8.061 1.00 0.00 H new ATOM 320 N GLN A 19 8.510 5.716 6.378 1.00 0.00 N ATOM 321 CA GLN A 19 9.151 6.927 6.854 1.00 0.00 C ATOM 322 C GLN A 19 8.959 8.086 5.882 1.00 0.00 C ATOM 323 O GLN A 19 8.820 9.239 6.300 1.00 0.00 O ATOM 324 CB GLN A 19 10.619 6.690 7.119 1.00 0.00 C ATOM 325 CG GLN A 19 10.871 5.751 8.273 1.00 0.00 C ATOM 326 CD GLN A 19 12.333 5.523 8.524 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.158 5.557 7.600 1.00 0.00 O ATOM 328 NE2 GLN A 19 12.679 5.301 9.759 1.00 0.00 N ATOM 0 H GLN A 19 9.150 4.942 6.199 1.00 0.00 H new ATOM 0 HA GLN A 19 8.671 7.202 7.793 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.083 6.283 6.220 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.103 7.645 7.324 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.411 6.157 9.174 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.388 4.795 8.071 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.970 5.281 10.492 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.660 5.147 9.994 1.00 0.00 H new ATOM 337 N LEU A 20 8.910 7.779 4.597 1.00 0.00 N ATOM 338 CA LEU A 20 8.718 8.801 3.595 1.00 0.00 C ATOM 339 C LEU A 20 7.296 9.350 3.622 1.00 0.00 C ATOM 340 O LEU A 20 7.115 10.571 3.622 1.00 0.00 O ATOM 341 CB LEU A 20 9.100 8.334 2.196 1.00 0.00 C ATOM 342 CG LEU A 20 10.565 7.965 1.972 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.780 7.540 0.534 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.483 9.133 2.319 1.00 0.00 C ATOM 0 H LEU A 20 9.001 6.832 4.229 1.00 0.00 H new ATOM 0 HA LEU A 20 9.399 9.612 3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.489 7.466 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.836 9.122 1.490 1.00 0.00 H new ATOM 0 HG LEU A 20 10.812 7.133 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.828 7.279 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.155 6.675 0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.512 8.360 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.520 8.843 2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.238 9.988 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.348 9.404 3.366 1.00 0.00 H new ATOM 356 N VAL A 21 6.271 8.480 3.633 1.00 0.00 N ATOM 357 CA VAL A 21 4.924 8.983 3.763 1.00 0.00 C ATOM 358 C VAL A 21 4.716 9.687 5.118 1.00 0.00 C ATOM 359 O VAL A 21 3.976 10.650 5.213 1.00 0.00 O ATOM 360 CB VAL A 21 3.858 7.888 3.567 1.00 0.00 C ATOM 361 CG1 VAL A 21 4.035 7.184 2.272 1.00 0.00 C ATOM 362 CG2 VAL A 21 3.791 6.908 4.701 1.00 0.00 C ATOM 0 H VAL A 21 6.358 7.467 3.556 1.00 0.00 H new ATOM 0 HA VAL A 21 4.796 9.711 2.962 1.00 0.00 H new ATOM 0 HB VAL A 21 2.900 8.409 3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.267 6.418 2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.949 7.900 1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.019 6.717 2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.019 6.166 4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.754 6.410 4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.550 7.436 5.624 1.00 0.00 H new ATOM 372 N ALA A 22 5.403 9.212 6.137 1.00 0.00 N ATOM 373 CA ALA A 22 5.312 9.766 7.467 1.00 0.00 C ATOM 374 C ALA A 22 5.778 11.217 7.501 1.00 0.00 C ATOM 375 O ALA A 22 5.036 12.107 7.936 1.00 0.00 O ATOM 376 CB ALA A 22 6.103 8.914 8.422 1.00 0.00 C ATOM 0 H ALA A 22 6.045 8.423 6.062 1.00 0.00 H new ATOM 0 HA ALA A 22 4.267 9.764 7.776 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.034 9.333 9.426 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.702 7.900 8.423 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.147 8.891 8.110 1.00 0.00 H new ATOM 382 N ARG A 23 6.977 11.462 6.965 1.00 0.00 N ATOM 383 CA ARG A 23 7.558 12.811 6.916 1.00 0.00 C ATOM 384 C ARG A 23 6.738 13.761 6.035 1.00 0.00 C ATOM 385 O ARG A 23 6.876 14.980 6.135 1.00 0.00 O ATOM 386 CB ARG A 23 9.034 12.786 6.482 1.00 0.00 C ATOM 387 CG ARG A 23 9.277 12.175 5.116 1.00 0.00 C ATOM 388 CD ARG A 23 10.752 12.140 4.760 1.00 0.00 C ATOM 389 NE ARG A 23 11.313 13.484 4.582 1.00 0.00 N ATOM 390 CZ ARG A 23 12.609 13.810 4.693 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.490 12.912 5.144 1.00 0.00 N ATOM 392 NH2 ARG A 23 13.006 15.049 4.400 1.00 0.00 N ATOM 0 H ARG A 23 7.569 10.740 6.556 1.00 0.00 H new ATOM 0 HA ARG A 23 7.522 13.200 7.934 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.417 13.806 6.483 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.608 12.229 7.223 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.876 11.162 5.096 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.736 12.747 4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.301 11.620 5.545 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.889 11.567 3.843 1.00 0.00 H new ATOM 0 HE ARG A 23 10.661 14.235 4.354 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.177 11.977 5.404 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.475 13.162 5.228 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.325 15.744 4.093 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.991 15.302 4.483 1.00 0.00 H new ATOM 406 N HIS A 24 5.905 13.191 5.161 1.00 0.00 N ATOM 407 CA HIS A 24 5.024 13.970 4.295 1.00 0.00 C ATOM 408 C HIS A 24 4.066 14.840 5.132 1.00 0.00 C ATOM 409 O HIS A 24 3.730 15.961 4.734 1.00 0.00 O ATOM 410 CB HIS A 24 4.211 13.041 3.352 1.00 0.00 C ATOM 411 CG HIS A 24 3.210 13.754 2.468 1.00 0.00 C ATOM 412 ND1 HIS A 24 1.906 14.031 2.835 1.00 0.00 N ATOM 413 CD2 HIS A 24 3.356 14.265 1.228 1.00 0.00 C ATOM 414 CE1 HIS A 24 1.327 14.692 1.829 1.00 0.00 C ATOM 415 NE2 HIS A 24 2.167 14.861 0.828 1.00 0.00 N ATOM 0 H HIS A 24 5.824 12.182 5.036 1.00 0.00 H new ATOM 0 HA HIS A 24 5.648 14.623 3.685 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.907 12.491 2.719 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.681 12.306 3.958 1.00 0.00 H new ATOM 0 HD2 HIS A 24 4.259 14.218 0.637 1.00 0.00 H new ATOM 0 HE1 HIS A 24 0.305 15.042 1.835 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.982 15.332 -0.058 1.00 0.00 H new ATOM 423 N GLY A 25 3.644 14.335 6.283 1.00 0.00 N ATOM 424 CA GLY A 25 2.720 15.097 7.094 1.00 0.00 C ATOM 425 C GLY A 25 1.825 14.252 7.963 1.00 0.00 C ATOM 426 O GLY A 25 1.036 14.787 8.740 1.00 0.00 O ATOM 0 H GLY A 25 3.919 13.429 6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.287 15.779 7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.100 15.711 6.440 1.00 0.00 H new ATOM 430 N LEU A 26 1.912 12.949 7.809 1.00 0.00 N ATOM 431 CA LEU A 26 1.162 12.015 8.598 1.00 0.00 C ATOM 432 C LEU A 26 1.394 12.161 10.088 1.00 0.00 C ATOM 433 O LEU A 26 2.501 12.470 10.547 1.00 0.00 O ATOM 434 CB LEU A 26 1.495 10.599 8.182 1.00 0.00 C ATOM 435 CG LEU A 26 0.725 10.036 6.998 1.00 0.00 C ATOM 436 CD1 LEU A 26 0.966 10.784 5.709 1.00 0.00 C ATOM 437 CD2 LEU A 26 0.977 8.556 6.854 1.00 0.00 C ATOM 0 H LEU A 26 2.519 12.508 7.118 1.00 0.00 H new ATOM 0 HA LEU A 26 0.111 12.236 8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.559 10.554 7.948 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.329 9.945 9.038 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.333 10.183 7.215 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.384 10.326 4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.662 11.824 5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.026 10.743 5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.417 8.173 6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.041 8.382 6.697 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.655 8.042 7.760 1.00 0.00 H new ATOM 449 N ASP A 27 0.342 11.924 10.831 1.00 0.00 N ATOM 450 CA ASP A 27 0.402 11.933 12.289 1.00 0.00 C ATOM 451 C ASP A 27 0.975 10.600 12.701 1.00 0.00 C ATOM 452 O ASP A 27 1.054 9.685 11.869 1.00 0.00 O ATOM 453 CB ASP A 27 -0.999 12.027 12.931 1.00 0.00 C ATOM 454 CG ASP A 27 -1.903 13.087 12.363 1.00 0.00 C ATOM 455 OD1 ASP A 27 -1.624 14.292 12.498 1.00 0.00 O ATOM 456 OD2 ASP A 27 -2.951 12.722 11.801 1.00 0.00 O ATOM 0 H ASP A 27 -0.583 11.719 10.453 1.00 0.00 H new ATOM 0 HA ASP A 27 0.991 12.792 12.610 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.492 11.060 12.828 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.879 12.211 13.999 1.00 0.00 H new ATOM 461 N HIS A 28 1.305 10.450 13.964 1.00 0.00 N ATOM 462 CA HIS A 28 1.839 9.185 14.467 1.00 0.00 C ATOM 463 C HIS A 28 0.802 8.069 14.256 1.00 0.00 C ATOM 464 O HIS A 28 1.145 6.971 13.810 1.00 0.00 O ATOM 465 CB HIS A 28 2.235 9.311 15.950 1.00 0.00 C ATOM 466 CG HIS A 28 2.887 8.086 16.535 1.00 0.00 C ATOM 467 ND1 HIS A 28 2.357 7.349 17.572 1.00 0.00 N ATOM 468 CD2 HIS A 28 4.060 7.489 16.218 1.00 0.00 C ATOM 469 CE1 HIS A 28 3.197 6.351 17.845 1.00 0.00 C ATOM 470 NE2 HIS A 28 4.253 6.391 17.049 1.00 0.00 N ATOM 0 H HIS A 28 1.217 11.182 14.669 1.00 0.00 H new ATOM 0 HA HIS A 28 2.741 8.930 13.911 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.916 10.155 16.059 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.343 9.543 16.531 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.738 7.814 15.443 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.037 5.609 18.613 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.045 5.749 17.046 1.00 0.00 H new ATOM 478 N ASP A 29 -0.474 8.400 14.506 1.00 0.00 N ATOM 479 CA ASP A 29 -1.600 7.469 14.288 1.00 0.00 C ATOM 480 C ASP A 29 -1.636 7.015 12.858 1.00 0.00 C ATOM 481 O ASP A 29 -1.820 5.840 12.572 1.00 0.00 O ATOM 482 CB ASP A 29 -2.950 8.131 14.579 1.00 0.00 C ATOM 483 CG ASP A 29 -3.230 8.397 16.025 1.00 0.00 C ATOM 484 OD1 ASP A 29 -2.701 9.380 16.571 1.00 0.00 O ATOM 485 OD2 ASP A 29 -4.035 7.653 16.637 1.00 0.00 O ATOM 0 H ASP A 29 -0.757 9.313 14.862 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.442 6.631 14.967 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.998 9.075 14.036 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.742 7.495 14.183 1.00 0.00 H new ATOM 490 N LYS A 30 -1.435 7.961 11.957 1.00 0.00 N ATOM 491 CA LYS A 30 -1.489 7.699 10.538 1.00 0.00 C ATOM 492 C LYS A 30 -0.414 6.715 10.129 1.00 0.00 C ATOM 493 O LYS A 30 -0.682 5.787 9.386 1.00 0.00 O ATOM 494 CB LYS A 30 -1.336 8.983 9.737 1.00 0.00 C ATOM 495 CG LYS A 30 -2.444 10.011 9.906 1.00 0.00 C ATOM 496 CD LYS A 30 -3.809 9.461 9.525 1.00 0.00 C ATOM 497 CE LYS A 30 -4.862 10.565 9.470 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.961 11.335 10.737 1.00 0.00 N ATOM 0 H LYS A 30 -1.230 8.932 12.194 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.466 7.266 10.324 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.390 9.449 10.013 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.267 8.723 8.681 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.468 10.348 10.942 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.223 10.884 9.292 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.746 8.968 8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.112 8.704 10.248 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.623 11.247 8.654 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.832 10.123 9.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.778 11.977 10.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.082 10.678 11.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.092 11.890 10.875 1.00 0.00 H new ATOM 512 N VAL A 31 0.782 6.905 10.661 1.00 0.00 N ATOM 513 CA VAL A 31 1.916 6.044 10.365 1.00 0.00 C ATOM 514 C VAL A 31 1.625 4.618 10.841 1.00 0.00 C ATOM 515 O VAL A 31 1.920 3.635 10.143 1.00 0.00 O ATOM 516 CB VAL A 31 3.211 6.587 11.035 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.417 5.717 10.725 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.466 8.015 10.602 1.00 0.00 C ATOM 0 H VAL A 31 0.995 7.662 11.311 1.00 0.00 H new ATOM 0 HA VAL A 31 2.073 6.033 9.286 1.00 0.00 H new ATOM 0 HB VAL A 31 3.059 6.562 12.114 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.300 6.132 11.212 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.241 4.706 11.093 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.577 5.688 9.647 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.375 8.383 11.078 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.583 8.051 9.519 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.623 8.641 10.897 1.00 0.00 H new ATOM 528 N LEU A 32 1.011 4.520 12.005 1.00 0.00 N ATOM 529 CA LEU A 32 0.626 3.246 12.574 1.00 0.00 C ATOM 530 C LEU A 32 -0.420 2.569 11.710 1.00 0.00 C ATOM 531 O LEU A 32 -0.221 1.451 11.264 1.00 0.00 O ATOM 532 CB LEU A 32 0.103 3.444 13.986 1.00 0.00 C ATOM 533 CG LEU A 32 1.084 4.094 14.959 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.432 4.288 16.296 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.356 3.268 15.095 1.00 0.00 C ATOM 0 H LEU A 32 0.765 5.324 12.582 1.00 0.00 H new ATOM 0 HA LEU A 32 1.504 2.601 12.612 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.797 4.057 13.940 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.192 2.474 14.386 1.00 0.00 H new ATOM 0 HG LEU A 32 1.365 5.069 14.560 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.140 4.752 16.982 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.441 4.931 16.185 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.122 3.321 16.693 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.034 3.757 15.794 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.106 2.274 15.466 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.839 3.181 14.122 1.00 0.00 H new ATOM 547 N LEU A 33 -1.495 3.281 11.421 1.00 0.00 N ATOM 548 CA LEU A 33 -2.600 2.748 10.617 1.00 0.00 C ATOM 549 C LEU A 33 -2.114 2.321 9.235 1.00 0.00 C ATOM 550 O LEU A 33 -2.483 1.243 8.739 1.00 0.00 O ATOM 551 CB LEU A 33 -3.700 3.798 10.461 1.00 0.00 C ATOM 552 CG LEU A 33 -4.403 4.266 11.733 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.335 5.425 11.418 1.00 0.00 C ATOM 554 CD2 LEU A 33 -5.184 3.125 12.355 1.00 0.00 C ATOM 0 H LEU A 33 -1.634 4.242 11.732 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.998 1.877 11.137 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.267 4.671 9.974 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.456 3.398 9.785 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.649 4.601 12.445 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.832 5.751 12.332 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.759 6.252 11.002 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.083 5.104 10.693 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.679 3.474 13.261 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.932 2.768 11.647 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.503 2.311 12.605 1.00 0.00 H new ATOM 566 N PHE A 34 -1.283 3.158 8.636 1.00 0.00 N ATOM 567 CA PHE A 34 -0.730 2.908 7.323 1.00 0.00 C ATOM 568 C PHE A 34 0.117 1.643 7.313 1.00 0.00 C ATOM 569 O PHE A 34 -0.118 0.750 6.512 1.00 0.00 O ATOM 570 CB PHE A 34 0.092 4.121 6.847 1.00 0.00 C ATOM 571 CG PHE A 34 0.775 3.922 5.526 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.057 3.964 4.349 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.139 3.673 5.466 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.680 3.764 3.143 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.762 3.471 4.261 1.00 0.00 C ATOM 576 CZ PHE A 34 2.035 3.517 3.101 1.00 0.00 C ATOM 0 H PHE A 34 -0.973 4.036 9.054 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.558 2.757 6.630 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.567 4.987 6.776 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.844 4.354 7.601 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.005 4.156 4.377 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.716 3.638 6.378 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.109 3.800 2.227 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.824 3.276 4.227 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.525 3.359 2.151 1.00 0.00 H new ATOM 586 N SER A 35 1.062 1.554 8.238 1.00 0.00 N ATOM 587 CA SER A 35 1.982 0.432 8.282 1.00 0.00 C ATOM 588 C SER A 35 1.263 -0.889 8.560 1.00 0.00 C ATOM 589 O SER A 35 1.642 -1.932 8.020 1.00 0.00 O ATOM 590 CB SER A 35 3.103 0.698 9.285 1.00 0.00 C ATOM 591 OG SER A 35 2.586 1.059 10.557 1.00 0.00 O ATOM 0 H SER A 35 1.210 2.249 8.970 1.00 0.00 H new ATOM 0 HA SER A 35 2.434 0.330 7.295 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.725 -0.192 9.383 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.745 1.496 8.912 1.00 0.00 H new ATOM 0 HG SER A 35 2.391 2.019 10.570 1.00 0.00 H new ATOM 597 N ARG A 36 0.215 -0.826 9.379 1.00 0.00 N ATOM 598 CA ARG A 36 -0.609 -1.991 9.684 1.00 0.00 C ATOM 599 C ARG A 36 -1.241 -2.529 8.422 1.00 0.00 C ATOM 600 O ARG A 36 -1.036 -3.686 8.055 1.00 0.00 O ATOM 601 CB ARG A 36 -1.709 -1.624 10.689 1.00 0.00 C ATOM 602 CG ARG A 36 -1.183 -1.264 12.052 1.00 0.00 C ATOM 603 CD ARG A 36 -2.243 -0.645 12.954 1.00 0.00 C ATOM 604 NE ARG A 36 -3.440 -1.492 13.158 1.00 0.00 N ATOM 605 CZ ARG A 36 -4.148 -1.546 14.308 1.00 0.00 C ATOM 606 NH1 ARG A 36 -3.643 -1.038 15.436 1.00 0.00 N ATOM 607 NH2 ARG A 36 -5.344 -2.129 14.331 1.00 0.00 N ATOM 0 H ARG A 36 -0.085 0.029 9.847 1.00 0.00 H new ATOM 0 HA ARG A 36 0.032 -2.756 10.122 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.283 -0.784 10.297 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.397 -2.464 10.784 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.785 -2.159 12.530 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.354 -0.565 11.943 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.796 -0.428 13.924 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.555 0.308 12.527 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.751 -2.073 12.379 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.719 -0.607 15.432 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.182 -1.082 16.301 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.729 -2.537 13.479 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.876 -2.168 15.201 1.00 0.00 H new ATOM 621 N ASP A 37 -1.945 -1.658 7.726 1.00 0.00 N ATOM 622 CA ASP A 37 -2.700 -2.034 6.533 1.00 0.00 C ATOM 623 C ASP A 37 -1.731 -2.467 5.430 1.00 0.00 C ATOM 624 O ASP A 37 -1.956 -3.462 4.740 1.00 0.00 O ATOM 625 CB ASP A 37 -3.537 -0.845 6.067 1.00 0.00 C ATOM 626 CG ASP A 37 -4.769 -1.235 5.251 1.00 0.00 C ATOM 627 OD1 ASP A 37 -4.651 -1.846 4.168 1.00 0.00 O ATOM 628 OD2 ASP A 37 -5.904 -0.909 5.690 1.00 0.00 O ATOM 0 H ASP A 37 -2.014 -0.669 7.966 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.365 -2.866 6.764 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.857 -0.275 6.939 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.910 -0.185 5.467 1.00 0.00 H new ATOM 633 N LEU A 38 -0.631 -1.735 5.323 1.00 0.00 N ATOM 634 CA LEU A 38 0.435 -2.005 4.360 1.00 0.00 C ATOM 635 C LEU A 38 1.045 -3.385 4.566 1.00 0.00 C ATOM 636 O LEU A 38 1.213 -4.142 3.606 1.00 0.00 O ATOM 637 CB LEU A 38 1.513 -0.909 4.461 1.00 0.00 C ATOM 638 CG LEU A 38 2.832 -1.118 3.704 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.608 -1.345 2.228 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.737 0.074 3.915 1.00 0.00 C ATOM 0 H LEU A 38 -0.448 -0.922 5.912 1.00 0.00 H new ATOM 0 HA LEU A 38 0.003 -1.993 3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.073 0.025 4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.752 -0.773 5.516 1.00 0.00 H new ATOM 0 HG LEU A 38 3.305 -2.015 4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.568 -1.488 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.990 -2.232 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.104 -0.479 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.672 -0.079 3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.247 0.974 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.946 0.188 4.979 1.00 0.00 H new ATOM 652 N ASP A 39 1.357 -3.715 5.809 1.00 0.00 N ATOM 653 CA ASP A 39 1.958 -5.008 6.123 1.00 0.00 C ATOM 654 C ASP A 39 1.009 -6.120 5.736 1.00 0.00 C ATOM 655 O ASP A 39 1.386 -7.070 5.050 1.00 0.00 O ATOM 656 CB ASP A 39 2.293 -5.112 7.607 1.00 0.00 C ATOM 657 CG ASP A 39 3.062 -6.370 7.921 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.276 -6.410 7.628 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.493 -7.328 8.481 1.00 0.00 O ATOM 0 H ASP A 39 1.206 -3.110 6.616 1.00 0.00 H new ATOM 0 HA ASP A 39 2.884 -5.101 5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.878 -4.243 7.909 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.372 -5.094 8.190 1.00 0.00 H new ATOM 664 N LYS A 40 -0.239 -5.935 6.119 1.00 0.00 N ATOM 665 CA LYS A 40 -1.317 -6.868 5.837 1.00 0.00 C ATOM 666 C LYS A 40 -1.531 -7.049 4.331 1.00 0.00 C ATOM 667 O LYS A 40 -1.811 -8.161 3.858 1.00 0.00 O ATOM 668 CB LYS A 40 -2.593 -6.378 6.514 1.00 0.00 C ATOM 669 CG LYS A 40 -2.532 -6.458 8.040 1.00 0.00 C ATOM 670 CD LYS A 40 -3.594 -5.597 8.727 1.00 0.00 C ATOM 671 CE LYS A 40 -5.014 -5.982 8.363 1.00 0.00 C ATOM 672 NZ LYS A 40 -5.988 -5.146 9.094 1.00 0.00 N ATOM 0 H LYS A 40 -0.540 -5.115 6.646 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.046 -7.845 6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.781 -5.346 6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.436 -6.970 6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.658 -7.496 8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.544 -6.143 8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.471 -5.675 9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.430 -4.552 8.462 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.163 -5.867 7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.182 -7.033 8.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.954 -5.427 8.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.858 -5.276 10.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.839 -4.146 8.850 1.00 0.00 H new ATOM 686 N LEU A 41 -1.372 -5.968 3.585 1.00 0.00 N ATOM 687 CA LEU A 41 -1.509 -5.998 2.136 1.00 0.00 C ATOM 688 C LEU A 41 -0.407 -6.849 1.530 1.00 0.00 C ATOM 689 O LEU A 41 -0.651 -7.679 0.651 1.00 0.00 O ATOM 690 CB LEU A 41 -1.464 -4.577 1.555 1.00 0.00 C ATOM 691 CG LEU A 41 -1.544 -4.464 0.029 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.832 -5.072 -0.500 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.422 -3.017 -0.400 1.00 0.00 C ATOM 0 H LEU A 41 -1.145 -5.048 3.964 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.475 -6.437 1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.287 -4.006 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.540 -4.102 1.885 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.711 -5.025 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.860 -4.977 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.876 -6.126 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.685 -4.550 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.481 -2.953 -1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.232 -2.437 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.465 -2.617 -0.064 1.00 0.00 H new ATOM 705 N ILE A 42 0.783 -6.681 2.042 1.00 0.00 N ATOM 706 CA ILE A 42 1.920 -7.430 1.563 1.00 0.00 C ATOM 707 C ILE A 42 1.766 -8.904 1.909 1.00 0.00 C ATOM 708 O ILE A 42 1.926 -9.753 1.046 1.00 0.00 O ATOM 709 CB ILE A 42 3.267 -6.849 2.077 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.437 -5.429 1.521 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.447 -7.736 1.664 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.690 -4.720 1.970 1.00 0.00 C ATOM 0 H ILE A 42 0.994 -6.028 2.796 1.00 0.00 H new ATOM 0 HA ILE A 42 1.947 -7.337 0.477 1.00 0.00 H new ATOM 0 HB ILE A 42 3.251 -6.818 3.166 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.434 -5.478 0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.573 -4.833 1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.375 -7.304 2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.316 -8.734 2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.490 -7.802 0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.723 -3.725 1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.690 -4.634 3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.564 -5.288 1.651 1.00 0.00 H new ATOM 724 N ASN A 43 1.364 -9.187 3.148 1.00 0.00 N ATOM 725 CA ASN A 43 1.141 -10.573 3.625 1.00 0.00 C ATOM 726 C ASN A 43 0.126 -11.291 2.738 1.00 0.00 C ATOM 727 O ASN A 43 0.256 -12.488 2.455 1.00 0.00 O ATOM 728 CB ASN A 43 0.637 -10.590 5.085 1.00 0.00 C ATOM 729 CG ASN A 43 1.618 -9.983 6.075 1.00 0.00 C ATOM 730 OD1 ASN A 43 2.839 -10.051 5.891 1.00 0.00 O ATOM 731 ND2 ASN A 43 1.099 -9.383 7.122 1.00 0.00 N ATOM 0 H ASN A 43 1.182 -8.474 3.854 1.00 0.00 H new ATOM 0 HA ASN A 43 2.099 -11.090 3.576 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.306 -10.046 5.141 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.429 -11.619 5.377 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.709 -8.953 7.817 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.086 -9.347 7.239 1.00 0.00 H new ATOM 738 N LYS A 44 -0.859 -10.526 2.270 1.00 0.00 N ATOM 739 CA LYS A 44 -1.911 -11.015 1.386 1.00 0.00 C ATOM 740 C LYS A 44 -1.310 -11.481 0.061 1.00 0.00 C ATOM 741 O LYS A 44 -1.615 -12.562 -0.435 1.00 0.00 O ATOM 742 CB LYS A 44 -2.914 -9.888 1.116 1.00 0.00 C ATOM 743 CG LYS A 44 -4.108 -10.287 0.256 1.00 0.00 C ATOM 744 CD LYS A 44 -4.995 -9.088 -0.095 1.00 0.00 C ATOM 745 CE LYS A 44 -5.449 -8.335 1.147 1.00 0.00 C ATOM 746 NZ LYS A 44 -6.500 -7.337 0.840 1.00 0.00 N ATOM 0 H LYS A 44 -0.948 -9.536 2.498 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.415 -11.854 1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.281 -9.511 2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.392 -9.065 0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.752 -10.755 -0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.701 -11.033 0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.447 -8.411 -0.750 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.868 -9.432 -0.650 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.827 -9.045 1.883 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.594 -7.833 1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.780 -6.848 1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.132 -6.644 0.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.327 -7.818 0.433 1.00 0.00 H new ATOM 760 N PHE A 45 -0.439 -10.670 -0.492 1.00 0.00 N ATOM 761 CA PHE A 45 0.175 -10.981 -1.767 1.00 0.00 C ATOM 762 C PHE A 45 1.290 -12.011 -1.648 1.00 0.00 C ATOM 763 O PHE A 45 1.556 -12.753 -2.580 1.00 0.00 O ATOM 764 CB PHE A 45 0.582 -9.718 -2.520 1.00 0.00 C ATOM 765 CG PHE A 45 -0.605 -9.024 -3.150 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.487 -8.259 -2.393 1.00 0.00 C ATOM 767 CD2 PHE A 45 -0.851 -9.164 -4.504 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.577 -7.651 -2.984 1.00 0.00 C ATOM 769 CE2 PHE A 45 -1.943 -8.559 -5.095 1.00 0.00 C ATOM 770 CZ PHE A 45 -2.804 -7.802 -4.334 1.00 0.00 C ATOM 0 H PHE A 45 -0.137 -9.787 -0.080 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.585 -11.464 -2.381 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.080 -9.033 -1.835 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.304 -9.975 -3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.317 -8.140 -1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.179 -9.755 -5.108 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.252 -7.056 -2.387 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.121 -8.680 -6.153 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.657 -7.327 -4.795 1.00 0.00 H new ATOM 780 N MET A 46 1.906 -12.080 -0.474 1.00 0.00 N ATOM 781 CA MET A 46 2.898 -13.133 -0.161 1.00 0.00 C ATOM 782 C MET A 46 2.160 -14.487 -0.071 1.00 0.00 C ATOM 783 O MET A 46 2.780 -15.563 -0.104 1.00 0.00 O ATOM 784 CB MET A 46 3.572 -12.857 1.205 1.00 0.00 C ATOM 785 CG MET A 46 4.333 -11.523 1.364 1.00 0.00 C ATOM 786 SD MET A 46 5.994 -11.459 0.652 1.00 0.00 S ATOM 787 CE MET A 46 5.662 -11.122 -1.064 1.00 0.00 C ATOM 0 H MET A 46 1.743 -11.422 0.288 1.00 0.00 H new ATOM 0 HA MET A 46 3.660 -13.147 -0.941 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.802 -12.900 1.975 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.270 -13.669 1.407 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.736 -10.732 0.911 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.408 -11.296 2.428 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.454 -10.494 -1.471 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.622 -12.060 -1.618 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.706 -10.606 -1.155 1.00 0.00 H new ATOM 1151 N LEU B 6 9.661 15.077 -2.862 1.00 0.00 N ATOM 1152 CA LEU B 6 9.529 14.145 -1.758 1.00 0.00 C ATOM 1153 C LEU B 6 8.560 13.021 -2.164 1.00 0.00 C ATOM 1154 O LEU B 6 8.853 11.840 -2.004 1.00 0.00 O ATOM 1155 CB LEU B 6 9.047 14.961 -0.511 1.00 0.00 C ATOM 1156 CG LEU B 6 8.690 14.250 0.824 1.00 0.00 C ATOM 1157 CD1 LEU B 6 7.313 13.612 0.781 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.743 13.226 1.215 1.00 0.00 C ATOM 0 HA LEU B 6 10.473 13.663 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.826 15.689 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU B 6 8.165 15.523 -0.819 1.00 0.00 H new ATOM 0 HG LEU B 6 8.671 15.024 1.591 1.00 0.00 H new ATOM 0 HD11 LEU B 6 7.107 13.127 1.735 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.562 14.380 0.594 1.00 0.00 H new ATOM 0 HD13 LEU B 6 7.280 12.871 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU B 6 9.457 12.751 2.153 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.822 12.469 0.434 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.705 13.723 1.338 1.00 0.00 H new ATOM 1170 N LYS B 7 7.445 13.417 -2.760 1.00 0.00 N ATOM 1171 CA LYS B 7 6.402 12.502 -3.213 1.00 0.00 C ATOM 1172 C LYS B 7 6.941 11.649 -4.367 1.00 0.00 C ATOM 1173 O LYS B 7 6.560 10.496 -4.538 1.00 0.00 O ATOM 1174 CB LYS B 7 5.187 13.329 -3.668 1.00 0.00 C ATOM 1175 CG LYS B 7 3.813 12.759 -3.301 1.00 0.00 C ATOM 1176 CD LYS B 7 3.426 11.475 -4.047 1.00 0.00 C ATOM 1177 CE LYS B 7 3.257 11.726 -5.533 1.00 0.00 C ATOM 1178 NZ LYS B 7 2.653 10.579 -6.237 1.00 0.00 N ATOM 0 H LYS B 7 7.234 14.397 -2.946 1.00 0.00 H new ATOM 0 HA LYS B 7 6.099 11.836 -2.405 1.00 0.00 H new ATOM 0 HB2 LYS B 7 5.271 14.328 -3.239 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.234 13.442 -4.751 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.793 12.559 -2.230 1.00 0.00 H new ATOM 0 HG3 LYS B 7 3.056 13.518 -3.498 1.00 0.00 H new ATOM 0 HD2 LYS B 7 4.193 10.716 -3.890 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.497 11.080 -3.636 1.00 0.00 H new ATOM 0 HE2 LYS B 7 2.633 12.607 -5.680 1.00 0.00 H new ATOM 0 HE3 LYS B 7 4.229 11.947 -5.973 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.919 10.609 -7.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.996 9.693 -5.815 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 1.618 10.625 -6.151 1.00 0.00 H new ATOM 1192 N ASN B 8 7.855 12.231 -5.128 1.00 0.00 N ATOM 1193 CA ASN B 8 8.494 11.551 -6.255 1.00 0.00 C ATOM 1194 C ASN B 8 9.378 10.426 -5.711 1.00 0.00 C ATOM 1195 O ASN B 8 9.368 9.304 -6.223 1.00 0.00 O ATOM 1196 CB ASN B 8 9.334 12.567 -7.061 1.00 0.00 C ATOM 1197 CG ASN B 8 9.866 12.059 -8.402 1.00 0.00 C ATOM 1198 OD1 ASN B 8 10.143 10.874 -8.598 1.00 0.00 O ATOM 1199 ND2 ASN B 8 10.011 12.969 -9.335 1.00 0.00 N ATOM 0 H ASN B 8 8.178 13.188 -4.986 1.00 0.00 H new ATOM 0 HA ASN B 8 7.742 11.125 -6.919 1.00 0.00 H new ATOM 0 HB2 ASN B 8 8.726 13.453 -7.243 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.180 12.881 -6.449 1.00 0.00 H new ATOM 0 HD21 ASN B 8 10.362 12.704 -10.255 1.00 0.00 H new ATOM 0 HD22 ASN B 8 9.773 13.941 -9.140 1.00 0.00 H new ATOM 1206 N LYS B 9 10.102 10.721 -4.635 1.00 0.00 N ATOM 1207 CA LYS B 9 10.951 9.725 -4.003 1.00 0.00 C ATOM 1208 C LYS B 9 10.106 8.658 -3.312 1.00 0.00 C ATOM 1209 O LYS B 9 10.516 7.500 -3.220 1.00 0.00 O ATOM 1210 CB LYS B 9 11.940 10.352 -3.020 1.00 0.00 C ATOM 1211 CG LYS B 9 12.909 11.371 -3.638 1.00 0.00 C ATOM 1212 CD LYS B 9 13.689 10.809 -4.844 1.00 0.00 C ATOM 1213 CE LYS B 9 14.485 9.543 -4.511 1.00 0.00 C ATOM 1214 NZ LYS B 9 15.468 9.742 -3.422 1.00 0.00 N ATOM 0 H LYS B 9 10.116 11.637 -4.187 1.00 0.00 H new ATOM 0 HA LYS B 9 11.537 9.252 -4.791 1.00 0.00 H new ATOM 0 HB2 LYS B 9 11.378 10.843 -2.225 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.521 9.556 -2.555 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.349 12.251 -3.953 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.616 11.699 -2.876 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.989 10.589 -5.650 1.00 0.00 H new ATOM 0 HD3 LYS B 9 14.372 11.573 -5.215 1.00 0.00 H new ATOM 0 HE2 LYS B 9 13.793 8.751 -4.227 1.00 0.00 H new ATOM 0 HE3 LYS B 9 15.007 9.204 -5.406 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.974 8.851 -3.244 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 16.149 10.477 -3.699 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 14.972 10.038 -2.557 1.00 0.00 H new ATOM 1228 N ILE B 10 8.938 9.057 -2.827 1.00 0.00 N ATOM 1229 CA ILE B 10 7.968 8.123 -2.262 1.00 0.00 C ATOM 1230 C ILE B 10 7.552 7.121 -3.319 1.00 0.00 C ATOM 1231 O ILE B 10 7.555 5.909 -3.066 1.00 0.00 O ATOM 1232 CB ILE B 10 6.732 8.866 -1.680 1.00 0.00 C ATOM 1233 CG1 ILE B 10 7.145 9.601 -0.414 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.565 7.915 -1.411 1.00 0.00 C ATOM 1235 CD1 ILE B 10 6.052 10.393 0.241 1.00 0.00 C ATOM 0 H ILE B 10 8.635 10.031 -2.813 1.00 0.00 H new ATOM 0 HA ILE B 10 8.440 7.592 -1.435 1.00 0.00 H new ATOM 0 HB ILE B 10 6.378 9.585 -2.419 1.00 0.00 H new ATOM 0 HG12 ILE B 10 7.527 8.874 0.303 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.968 10.274 -0.654 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.724 8.477 -1.005 1.00 0.00 H new ATOM 0 HG22 ILE B 10 5.265 7.435 -2.342 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.873 7.155 -0.693 1.00 0.00 H new ATOM 0 HD11 ILE B 10 6.442 10.881 1.135 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.684 11.148 -0.453 1.00 0.00 H new ATOM 0 HD13 ILE B 10 5.236 9.726 0.518 1.00 0.00 H new ATOM 1247 N GLU B 11 7.233 7.633 -4.514 1.00 0.00 N ATOM 1248 CA GLU B 11 6.912 6.790 -5.653 1.00 0.00 C ATOM 1249 C GLU B 11 8.035 5.807 -5.893 1.00 0.00 C ATOM 1250 O GLU B 11 7.815 4.609 -5.946 1.00 0.00 O ATOM 1251 CB GLU B 11 6.715 7.620 -6.919 1.00 0.00 C ATOM 1252 CG GLU B 11 5.491 8.497 -6.931 1.00 0.00 C ATOM 1253 CD GLU B 11 4.223 7.700 -6.845 1.00 0.00 C ATOM 1254 OE1 GLU B 11 4.067 6.704 -7.584 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.363 8.033 -6.014 1.00 0.00 O ATOM 0 H GLU B 11 7.193 8.633 -4.709 1.00 0.00 H new ATOM 0 HA GLU B 11 5.985 6.264 -5.426 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.594 8.249 -7.061 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.665 6.944 -7.773 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.537 9.194 -6.095 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.482 9.094 -7.843 1.00 0.00 H new ATOM 1262 N ASN B 12 9.232 6.341 -6.003 1.00 0.00 N ATOM 1263 CA ASN B 12 10.448 5.566 -6.241 1.00 0.00 C ATOM 1264 C ASN B 12 10.650 4.453 -5.209 1.00 0.00 C ATOM 1265 O ASN B 12 10.848 3.298 -5.573 1.00 0.00 O ATOM 1266 CB ASN B 12 11.672 6.495 -6.284 1.00 0.00 C ATOM 1267 CG ASN B 12 12.988 5.747 -6.411 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.418 5.414 -7.511 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.663 5.541 -5.304 1.00 0.00 N ATOM 0 H ASN B 12 9.399 7.345 -5.929 1.00 0.00 H new ATOM 0 HA ASN B 12 10.333 5.078 -7.209 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.569 7.182 -7.124 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.692 7.101 -5.378 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.577 5.090 -5.341 1.00 0.00 H new ATOM 0 HD22 ASN B 12 13.273 5.832 -4.407 1.00 0.00 H new ATOM 1276 N LYS B 13 10.547 4.794 -3.936 1.00 0.00 N ATOM 1277 CA LYS B 13 10.775 3.835 -2.859 1.00 0.00 C ATOM 1278 C LYS B 13 9.683 2.747 -2.850 1.00 0.00 C ATOM 1279 O LYS B 13 9.969 1.565 -2.629 1.00 0.00 O ATOM 1280 CB LYS B 13 10.876 4.572 -1.510 1.00 0.00 C ATOM 1281 CG LYS B 13 11.324 3.706 -0.338 1.00 0.00 C ATOM 1282 CD LYS B 13 12.657 3.026 -0.625 1.00 0.00 C ATOM 1283 CE LYS B 13 13.836 3.976 -0.744 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.338 4.405 0.574 1.00 0.00 N ATOM 0 H LYS B 13 10.306 5.733 -3.618 1.00 0.00 H new ATOM 0 HA LYS B 13 11.723 3.325 -3.030 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.574 5.402 -1.617 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.903 5.002 -1.274 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.413 4.321 0.557 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.566 2.951 -0.131 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.863 2.309 0.170 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.569 2.459 -1.551 1.00 0.00 H new ATOM 0 HE2 LYS B 13 14.639 3.489 -1.296 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.539 4.852 -1.321 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.142 5.052 0.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 13.580 4.893 1.092 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.647 3.573 1.116 1.00 0.00 H new ATOM 1298 N LYS B 14 8.454 3.158 -3.106 1.00 0.00 N ATOM 1299 CA LYS B 14 7.328 2.270 -3.261 1.00 0.00 C ATOM 1300 C LYS B 14 7.594 1.313 -4.422 1.00 0.00 C ATOM 1301 O LYS B 14 7.393 0.117 -4.312 1.00 0.00 O ATOM 1302 CB LYS B 14 6.088 3.112 -3.571 1.00 0.00 C ATOM 1303 CG LYS B 14 4.833 2.319 -3.895 1.00 0.00 C ATOM 1304 CD LYS B 14 3.688 3.224 -4.339 1.00 0.00 C ATOM 1305 CE LYS B 14 4.013 3.956 -5.629 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.911 4.842 -6.060 1.00 0.00 N ATOM 0 H LYS B 14 8.211 4.143 -3.213 1.00 0.00 H new ATOM 0 HA LYS B 14 7.174 1.694 -2.348 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.882 3.755 -2.715 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.313 3.766 -4.414 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.052 1.598 -4.682 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.527 1.750 -3.018 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.786 2.627 -4.477 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.473 3.949 -3.554 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.919 4.546 -5.492 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.222 3.230 -6.414 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.169 5.308 -6.953 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 2.048 4.279 -6.200 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.739 5.563 -5.330 1.00 0.00 H new ATOM 1320 N LYS B 15 8.070 1.864 -5.520 1.00 0.00 N ATOM 1321 CA LYS B 15 8.359 1.101 -6.722 1.00 0.00 C ATOM 1322 C LYS B 15 9.483 0.101 -6.504 1.00 0.00 C ATOM 1323 O LYS B 15 9.397 -1.029 -6.998 1.00 0.00 O ATOM 1324 CB LYS B 15 8.605 2.036 -7.900 1.00 0.00 C ATOM 1325 CG LYS B 15 7.337 2.775 -8.332 1.00 0.00 C ATOM 1326 CD LYS B 15 7.658 3.986 -9.177 1.00 0.00 C ATOM 1327 CE LYS B 15 6.397 4.691 -9.667 1.00 0.00 C ATOM 1328 NZ LYS B 15 6.711 5.848 -10.537 1.00 0.00 N ATOM 0 H LYS B 15 8.269 2.861 -5.606 1.00 0.00 H new ATOM 0 HA LYS B 15 7.483 0.501 -6.969 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.372 2.762 -7.630 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.992 1.462 -8.742 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.695 2.098 -8.895 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.777 3.085 -7.449 1.00 0.00 H new ATOM 0 HD2 LYS B 15 8.261 4.684 -8.596 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.259 3.681 -10.034 1.00 0.00 H new ATOM 0 HE2 LYS B 15 5.776 3.983 -10.215 1.00 0.00 H new ATOM 0 HE3 LYS B 15 5.814 5.029 -8.810 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 5.827 6.299 -10.848 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 7.282 6.536 -10.007 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 7.245 5.523 -11.368 1.00 0.00 H new ATOM 1342 N GLU B 16 10.511 0.500 -5.741 1.00 0.00 N ATOM 1343 CA GLU B 16 11.579 -0.427 -5.321 1.00 0.00 C ATOM 1344 C GLU B 16 10.959 -1.619 -4.595 1.00 0.00 C ATOM 1345 O GLU B 16 11.322 -2.774 -4.823 1.00 0.00 O ATOM 1346 CB GLU B 16 12.588 0.251 -4.373 1.00 0.00 C ATOM 1347 CG GLU B 16 13.500 1.301 -4.990 1.00 0.00 C ATOM 1348 CD GLU B 16 14.488 1.876 -3.977 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.153 1.090 -3.247 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.665 3.109 -3.923 1.00 0.00 O ATOM 0 H GLU B 16 10.628 1.455 -5.402 1.00 0.00 H new ATOM 0 HA GLU B 16 12.108 -0.747 -6.218 1.00 0.00 H new ATOM 0 HB2 GLU B 16 12.032 0.718 -3.560 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.212 -0.524 -3.928 1.00 0.00 H new ATOM 0 HG2 GLU B 16 14.050 0.859 -5.820 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.895 2.108 -5.403 1.00 0.00 H new ATOM 1357 N LEU B 17 9.989 -1.320 -3.761 1.00 0.00 N ATOM 1358 CA LEU B 17 9.297 -2.311 -2.983 1.00 0.00 C ATOM 1359 C LEU B 17 8.451 -3.209 -3.858 1.00 0.00 C ATOM 1360 O LEU B 17 8.450 -4.425 -3.674 1.00 0.00 O ATOM 1361 CB LEU B 17 8.482 -1.622 -1.852 1.00 0.00 C ATOM 1362 CG LEU B 17 7.432 -2.436 -1.077 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.145 -2.598 -1.842 1.00 0.00 C ATOM 1364 CD2 LEU B 17 7.989 -3.755 -0.574 1.00 0.00 C ATOM 0 H LEU B 17 9.657 -0.368 -3.605 1.00 0.00 H new ATOM 0 HA LEU B 17 10.028 -2.965 -2.507 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.195 -1.232 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.973 -0.764 -2.291 1.00 0.00 H new ATOM 0 HG LEU B 17 7.178 -1.854 -0.191 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.440 -3.180 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.720 -1.616 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.343 -3.115 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.212 -4.295 -0.033 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.326 -4.354 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.830 -3.564 0.093 1.00 0.00 H new ATOM 1376 N ILE B 18 7.731 -2.618 -4.795 1.00 0.00 N ATOM 1377 CA ILE B 18 6.856 -3.377 -5.674 1.00 0.00 C ATOM 1378 C ILE B 18 7.669 -4.425 -6.414 1.00 0.00 C ATOM 1379 O ILE B 18 7.247 -5.558 -6.544 1.00 0.00 O ATOM 1380 CB ILE B 18 6.130 -2.467 -6.703 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.296 -1.418 -5.971 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.232 -3.308 -7.639 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.767 -0.325 -6.862 1.00 0.00 C ATOM 0 H ILE B 18 7.734 -1.613 -4.968 1.00 0.00 H new ATOM 0 HA ILE B 18 6.095 -3.852 -5.055 1.00 0.00 H new ATOM 0 HB ILE B 18 6.880 -1.964 -7.313 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.456 -1.912 -5.482 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.903 -0.970 -5.185 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.733 -2.651 -8.351 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.845 -4.030 -8.179 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.484 -3.837 -7.048 1.00 0.00 H new ATOM 0 HD11 ILE B 18 4.186 0.380 -6.267 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.601 0.197 -7.331 1.00 0.00 H new ATOM 0 HD13 ILE B 18 4.131 -0.760 -7.633 1.00 0.00 H new ATOM 1395 N GLN B 19 8.866 -4.032 -6.833 1.00 0.00 N ATOM 1396 CA GLN B 19 9.782 -4.919 -7.530 1.00 0.00 C ATOM 1397 C GLN B 19 10.168 -6.079 -6.631 1.00 0.00 C ATOM 1398 O GLN B 19 10.196 -7.221 -7.064 1.00 0.00 O ATOM 1399 CB GLN B 19 11.033 -4.172 -7.973 1.00 0.00 C ATOM 1400 CG GLN B 19 10.777 -3.037 -8.939 1.00 0.00 C ATOM 1401 CD GLN B 19 12.054 -2.366 -9.385 1.00 0.00 C ATOM 1402 OE1 GLN B 19 12.532 -1.420 -8.756 1.00 0.00 O ATOM 1403 NE2 GLN B 19 12.617 -2.843 -10.460 1.00 0.00 N ATOM 0 H GLN B 19 9.227 -3.088 -6.698 1.00 0.00 H new ATOM 0 HA GLN B 19 9.276 -5.301 -8.417 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.535 -3.775 -7.091 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.718 -4.881 -8.438 1.00 0.00 H new ATOM 0 HG2 GLN B 19 10.245 -3.418 -9.811 1.00 0.00 H new ATOM 0 HG3 GLN B 19 10.128 -2.300 -8.467 1.00 0.00 H new ATOM 0 HE21 GLN B 19 12.191 -3.627 -10.954 1.00 0.00 H new ATOM 0 HE22 GLN B 19 13.483 -2.432 -10.807 1.00 0.00 H new ATOM 1412 N LEU B 20 10.445 -5.767 -5.375 1.00 0.00 N ATOM 1413 CA LEU B 20 10.767 -6.765 -4.358 1.00 0.00 C ATOM 1414 C LEU B 20 9.620 -7.754 -4.169 1.00 0.00 C ATOM 1415 O LEU B 20 9.827 -8.963 -4.261 1.00 0.00 O ATOM 1416 CB LEU B 20 11.123 -6.092 -3.030 1.00 0.00 C ATOM 1417 CG LEU B 20 12.605 -5.791 -2.740 1.00 0.00 C ATOM 1418 CD1 LEU B 20 13.308 -5.166 -3.906 1.00 0.00 C ATOM 1419 CD2 LEU B 20 12.708 -4.863 -1.563 1.00 0.00 C ATOM 0 H LEU B 20 10.454 -4.808 -5.026 1.00 0.00 H new ATOM 0 HA LEU B 20 11.636 -7.323 -4.705 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.576 -5.151 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU B 20 10.748 -6.725 -2.225 1.00 0.00 H new ATOM 0 HG LEU B 20 13.088 -6.746 -2.532 1.00 0.00 H new ATOM 0 HD11 LEU B 20 14.349 -4.976 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU B 20 13.266 -5.841 -4.761 1.00 0.00 H new ATOM 0 HD13 LEU B 20 12.821 -4.225 -4.163 1.00 0.00 H new ATOM 0 HD21 LEU B 20 13.757 -4.650 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU B 20 12.186 -3.933 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU B 20 12.256 -5.332 -0.689 1.00 0.00 H new ATOM 1431 N VAL B 21 8.416 -7.244 -3.902 1.00 0.00 N ATOM 1432 CA VAL B 21 7.227 -8.105 -3.767 1.00 0.00 C ATOM 1433 C VAL B 21 6.987 -8.935 -5.061 1.00 0.00 C ATOM 1434 O VAL B 21 6.632 -10.120 -5.009 1.00 0.00 O ATOM 1435 CB VAL B 21 5.970 -7.253 -3.447 1.00 0.00 C ATOM 1436 CG1 VAL B 21 4.748 -8.116 -3.220 1.00 0.00 C ATOM 1437 CG2 VAL B 21 6.222 -6.398 -2.239 1.00 0.00 C ATOM 0 H VAL B 21 8.233 -6.249 -3.775 1.00 0.00 H new ATOM 0 HA VAL B 21 7.408 -8.794 -2.942 1.00 0.00 H new ATOM 0 HB VAL B 21 5.773 -6.618 -4.311 1.00 0.00 H new ATOM 0 HG11 VAL B 21 3.890 -7.481 -2.999 1.00 0.00 H new ATOM 0 HG12 VAL B 21 4.545 -8.702 -4.117 1.00 0.00 H new ATOM 0 HG13 VAL B 21 4.928 -8.788 -2.381 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.334 -5.804 -2.022 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.450 -7.034 -1.384 1.00 0.00 H new ATOM 0 HG23 VAL B 21 7.065 -5.734 -2.432 1.00 0.00 H new ATOM 1447 N ALA B 22 7.223 -8.309 -6.196 1.00 0.00 N ATOM 1448 CA ALA B 22 7.045 -8.917 -7.507 1.00 0.00 C ATOM 1449 C ALA B 22 7.992 -10.093 -7.734 1.00 0.00 C ATOM 1450 O ALA B 22 7.552 -11.195 -8.100 1.00 0.00 O ATOM 1451 CB ALA B 22 7.246 -7.870 -8.577 1.00 0.00 C ATOM 0 H ALA B 22 7.551 -7.344 -6.238 1.00 0.00 H new ATOM 0 HA ALA B 22 6.030 -9.312 -7.557 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.113 -8.323 -9.559 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.517 -7.070 -8.445 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.253 -7.460 -8.500 1.00 0.00 H new ATOM 1457 N ARG B 23 9.282 -9.867 -7.482 1.00 0.00 N ATOM 1458 CA ARG B 23 10.316 -10.890 -7.684 1.00 0.00 C ATOM 1459 C ARG B 23 10.254 -11.968 -6.619 1.00 0.00 C ATOM 1460 O ARG B 23 10.929 -12.986 -6.726 1.00 0.00 O ATOM 1461 CB ARG B 23 11.726 -10.274 -7.711 1.00 0.00 C ATOM 1462 CG ARG B 23 12.096 -9.518 -6.448 1.00 0.00 C ATOM 1463 CD ARG B 23 13.504 -8.972 -6.493 1.00 0.00 C ATOM 1464 NE ARG B 23 14.511 -10.032 -6.420 1.00 0.00 N ATOM 1465 CZ ARG B 23 15.827 -9.836 -6.287 1.00 0.00 C ATOM 1466 NH1 ARG B 23 16.334 -8.597 -6.326 1.00 0.00 N ATOM 1467 NH2 ARG B 23 16.633 -10.881 -6.138 1.00 0.00 N ATOM 0 H ARG B 23 9.641 -8.978 -7.135 1.00 0.00 H new ATOM 0 HA ARG B 23 10.114 -11.345 -8.654 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.455 -11.068 -7.873 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.799 -9.596 -8.562 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.395 -8.696 -6.302 1.00 0.00 H new ATOM 0 HG3 ARG B 23 11.994 -10.181 -5.589 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.642 -8.404 -7.413 1.00 0.00 H new ATOM 0 HD3 ARG B 23 13.649 -8.278 -5.665 1.00 0.00 H new ATOM 0 HE ARG B 23 14.183 -10.996 -6.475 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.715 -7.797 -6.458 1.00 0.00 H new ATOM 0 HH12 ARG B 23 17.339 -8.454 -6.224 1.00 0.00 H new ATOM 0 HH21 ARG B 23 16.247 -11.825 -6.126 1.00 0.00 H new ATOM 0 HH22 ARG B 23 17.638 -10.739 -6.036 1.00 0.00 H new ATOM 1481 N HIS B 24 9.478 -11.723 -5.579 1.00 0.00 N ATOM 1482 CA HIS B 24 9.300 -12.688 -4.520 1.00 0.00 C ATOM 1483 C HIS B 24 8.617 -13.918 -5.087 1.00 0.00 C ATOM 1484 O HIS B 24 9.145 -15.028 -5.014 1.00 0.00 O ATOM 1485 CB HIS B 24 8.466 -12.083 -3.366 1.00 0.00 C ATOM 1486 CG HIS B 24 8.277 -13.003 -2.178 1.00 0.00 C ATOM 1487 ND1 HIS B 24 8.912 -12.845 -0.964 1.00 0.00 N ATOM 1488 CD2 HIS B 24 7.475 -14.075 -2.032 1.00 0.00 C ATOM 1489 CE1 HIS B 24 8.489 -13.803 -0.145 1.00 0.00 C ATOM 1490 NE2 HIS B 24 7.609 -14.579 -0.745 1.00 0.00 N ATOM 0 H HIS B 24 8.959 -10.855 -5.449 1.00 0.00 H new ATOM 0 HA HIS B 24 10.272 -12.967 -4.114 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.950 -11.167 -3.027 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.486 -11.802 -3.751 1.00 0.00 H new ATOM 0 HD2 HIS B 24 6.828 -14.480 -2.797 1.00 0.00 H new ATOM 0 HE1 HIS B 24 8.822 -13.928 0.875 1.00 0.00 H new ATOM 0 HE2 HIS B 24 7.126 -15.384 -0.346 1.00 0.00 H new ATOM 1498 N GLY B 25 7.461 -13.709 -5.656 1.00 0.00 N ATOM 1499 CA GLY B 25 6.734 -14.796 -6.225 1.00 0.00 C ATOM 1500 C GLY B 25 5.410 -14.358 -6.759 1.00 0.00 C ATOM 1501 O GLY B 25 4.420 -15.079 -6.652 1.00 0.00 O ATOM 0 H GLY B 25 7.009 -12.798 -5.735 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.319 -15.244 -7.028 1.00 0.00 H new ATOM 0 HA3 GLY B 25 6.584 -15.568 -5.470 1.00 0.00 H new ATOM 1505 N LEU B 26 5.361 -13.170 -7.320 1.00 0.00 N ATOM 1506 CA LEU B 26 4.131 -12.712 -7.894 1.00 0.00 C ATOM 1507 C LEU B 26 4.173 -12.841 -9.365 1.00 0.00 C ATOM 1508 O LEU B 26 5.242 -12.859 -9.985 1.00 0.00 O ATOM 1509 CB LEU B 26 3.794 -11.262 -7.544 1.00 0.00 C ATOM 1510 CG LEU B 26 3.503 -10.952 -6.093 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.026 -9.529 -5.898 1.00 0.00 C ATOM 1512 CD2 LEU B 26 2.578 -11.960 -5.438 1.00 0.00 C ATOM 0 H LEU B 26 6.145 -12.521 -7.387 1.00 0.00 H new ATOM 0 HA LEU B 26 3.353 -13.344 -7.466 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.627 -10.635 -7.863 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.927 -10.965 -8.134 1.00 0.00 H new ATOM 0 HG LEU B 26 4.457 -11.044 -5.574 1.00 0.00 H new ATOM 0 HD11 LEU B 26 2.830 -9.353 -4.840 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.794 -8.837 -6.245 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.111 -9.371 -6.468 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.411 -11.678 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU B 26 1.625 -11.977 -5.967 1.00 0.00 H new ATOM 0 HD23 LEU B 26 3.032 -12.950 -5.477 1.00 0.00 H new ATOM 1524 N ASP B 27 3.028 -12.929 -9.917 1.00 0.00 N ATOM 1525 CA ASP B 27 2.866 -12.931 -11.332 1.00 0.00 C ATOM 1526 C ASP B 27 2.515 -11.533 -11.715 1.00 0.00 C ATOM 1527 O ASP B 27 2.229 -10.717 -10.825 1.00 0.00 O ATOM 1528 CB ASP B 27 1.777 -13.906 -11.770 1.00 0.00 C ATOM 1529 CG ASP B 27 2.107 -15.331 -11.420 1.00 0.00 C ATOM 1530 OD1 ASP B 27 2.857 -15.983 -12.171 1.00 0.00 O ATOM 1531 OD2 ASP B 27 1.640 -15.819 -10.364 1.00 0.00 O ATOM 0 H ASP B 27 2.154 -13.004 -9.397 1.00 0.00 H new ATOM 0 HA ASP B 27 3.781 -13.259 -11.825 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.834 -13.628 -11.299 1.00 0.00 H new ATOM 0 HB3 ASP B 27 1.632 -13.824 -12.847 1.00 0.00 H new ATOM 1536 N HIS B 28 2.489 -11.247 -12.991 1.00 0.00 N ATOM 1537 CA HIS B 28 2.290 -9.886 -13.476 1.00 0.00 C ATOM 1538 C HIS B 28 0.976 -9.286 -12.957 1.00 0.00 C ATOM 1539 O HIS B 28 0.935 -8.119 -12.573 1.00 0.00 O ATOM 1540 CB HIS B 28 2.354 -9.850 -15.009 1.00 0.00 C ATOM 1541 CG HIS B 28 2.504 -8.471 -15.591 1.00 0.00 C ATOM 1542 ND1 HIS B 28 3.721 -7.861 -15.802 1.00 0.00 N ATOM 1543 CD2 HIS B 28 1.570 -7.586 -16.006 1.00 0.00 C ATOM 1544 CE1 HIS B 28 3.502 -6.661 -16.321 1.00 0.00 C ATOM 1545 NE2 HIS B 28 2.205 -6.434 -16.469 1.00 0.00 N ATOM 0 H HIS B 28 2.604 -11.941 -13.729 1.00 0.00 H new ATOM 0 HA HIS B 28 3.098 -9.268 -13.085 1.00 0.00 H new ATOM 0 HB2 HIS B 28 3.191 -10.464 -15.340 1.00 0.00 H new ATOM 0 HB3 HIS B 28 1.447 -10.304 -15.409 1.00 0.00 H new ATOM 0 HD2 HIS B 28 0.502 -7.746 -15.983 1.00 0.00 H new ATOM 0 HE1 HIS B 28 4.279 -5.960 -16.588 1.00 0.00 H new ATOM 0 HE2 HIS B 28 1.764 -5.594 -16.843 1.00 0.00 H new ATOM 1553 N ASP B 29 -0.065 -10.108 -12.882 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.373 -9.655 -12.408 1.00 0.00 C ATOM 1555 C ASP B 29 -1.305 -9.221 -10.951 1.00 0.00 C ATOM 1556 O ASP B 29 -1.861 -8.188 -10.574 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.450 -10.740 -12.588 1.00 0.00 C ATOM 1558 CG ASP B 29 -2.284 -11.959 -11.689 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -1.479 -12.866 -12.021 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -2.957 -12.044 -10.654 1.00 0.00 O ATOM 0 H ASP B 29 -0.031 -11.093 -13.143 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.655 -8.796 -13.017 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -3.428 -10.297 -12.399 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -2.445 -11.069 -13.627 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.571 -9.979 -10.159 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.409 -9.703 -8.745 1.00 0.00 C ATOM 1567 C LYS B 30 0.318 -8.400 -8.533 1.00 0.00 C ATOM 1568 O LYS B 30 -0.088 -7.601 -7.712 1.00 0.00 O ATOM 1569 CB LYS B 30 0.302 -10.862 -8.038 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.554 -12.114 -7.860 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.737 -11.880 -6.916 1.00 0.00 C ATOM 1572 CE LYS B 30 -2.594 -13.134 -6.773 1.00 0.00 C ATOM 1573 NZ LYS B 30 -3.703 -12.955 -5.801 1.00 0.00 N ATOM 0 H LYS B 30 -0.069 -10.807 -10.480 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.400 -9.606 -8.302 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.195 -11.125 -8.606 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.636 -10.523 -7.057 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.926 -12.438 -8.832 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.065 -12.922 -7.470 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.368 -11.577 -5.936 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.349 -11.061 -7.294 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -3.007 -13.401 -7.746 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -1.966 -13.966 -6.454 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -4.256 -13.834 -5.739 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -3.311 -12.726 -4.865 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -4.320 -12.180 -6.117 1.00 0.00 H new ATOM 1587 N VAL B 31 1.367 -8.182 -9.308 1.00 0.00 N ATOM 1588 CA VAL B 31 2.139 -6.956 -9.255 1.00 0.00 C ATOM 1589 C VAL B 31 1.239 -5.751 -9.547 1.00 0.00 C ATOM 1590 O VAL B 31 1.295 -4.741 -8.843 1.00 0.00 O ATOM 1591 CB VAL B 31 3.296 -6.992 -10.287 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.197 -5.776 -10.156 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.092 -8.275 -10.154 1.00 0.00 C ATOM 0 H VAL B 31 1.707 -8.855 -9.995 1.00 0.00 H new ATOM 0 HA VAL B 31 2.559 -6.864 -8.253 1.00 0.00 H new ATOM 0 HB VAL B 31 2.854 -6.965 -11.283 1.00 0.00 H new ATOM 0 HG11 VAL B 31 4.997 -5.834 -10.894 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.613 -4.871 -10.324 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.628 -5.749 -9.155 1.00 0.00 H new ATOM 0 HG21 VAL B 31 4.899 -8.280 -10.887 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.513 -8.340 -9.151 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.438 -9.129 -10.329 1.00 0.00 H new ATOM 1603 N LEU B 32 0.387 -5.883 -10.556 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.518 -4.806 -10.957 1.00 0.00 C ATOM 1605 C LEU B 32 -1.526 -4.503 -9.870 1.00 0.00 C ATOM 1606 O LEU B 32 -1.716 -3.347 -9.491 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.257 -5.162 -12.245 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.391 -5.501 -13.450 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.252 -5.723 -14.673 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.655 -4.428 -13.698 1.00 0.00 C ATOM 0 H LEU B 32 0.302 -6.731 -11.117 1.00 0.00 H new ATOM 0 HA LEU B 32 0.094 -3.920 -11.129 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.908 -6.013 -12.042 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.901 -4.324 -12.512 1.00 0.00 H new ATOM 0 HG LEU B 32 0.142 -6.428 -13.236 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.617 -5.964 -15.526 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.941 -6.547 -14.488 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.819 -4.817 -14.888 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.257 -4.700 -14.565 1.00 0.00 H new ATOM 0 HD22 LEU B 32 0.161 -3.474 -13.884 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.299 -4.338 -12.823 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.146 -5.539 -9.356 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.156 -5.390 -8.330 1.00 0.00 C ATOM 1624 C LEU B 33 -2.551 -4.865 -7.042 1.00 0.00 C ATOM 1625 O LEU B 33 -3.132 -3.990 -6.391 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.867 -6.710 -8.089 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.590 -7.303 -9.304 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -5.127 -8.678 -8.988 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.710 -6.388 -9.776 1.00 0.00 C ATOM 0 H LEU B 33 -1.968 -6.504 -9.634 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.888 -4.661 -8.678 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.136 -7.436 -7.733 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.594 -6.570 -7.289 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.865 -7.393 -10.113 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.636 -9.080 -9.864 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.303 -9.336 -8.714 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.830 -8.612 -8.158 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.205 -6.834 -10.639 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.433 -6.254 -8.972 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.295 -5.420 -10.056 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.382 -5.376 -6.704 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.667 -4.963 -5.517 1.00 0.00 C ATOM 1643 C PHE B 34 -0.282 -3.505 -5.600 1.00 0.00 C ATOM 1644 O PHE B 34 -0.637 -2.730 -4.732 1.00 0.00 O ATOM 1645 CB PHE B 34 0.588 -5.830 -5.300 1.00 0.00 C ATOM 1646 CG PHE B 34 1.450 -5.389 -4.152 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.078 -5.650 -2.847 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.634 -4.706 -4.385 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.866 -5.235 -1.798 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.422 -4.292 -3.339 1.00 0.00 C ATOM 1651 CZ PHE B 34 3.039 -4.556 -2.048 1.00 0.00 C ATOM 0 H PHE B 34 -0.902 -6.092 -7.249 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.333 -5.099 -4.665 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.279 -6.862 -5.132 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.185 -5.821 -6.212 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.161 -6.184 -2.649 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.940 -4.497 -5.400 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.566 -5.441 -0.781 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.342 -3.760 -3.532 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.659 -4.231 -1.225 1.00 0.00 H new ATOM 1661 N SER B 35 0.407 -3.134 -6.673 1.00 0.00 N ATOM 1662 CA SER B 35 0.927 -1.789 -6.829 1.00 0.00 C ATOM 1663 C SER B 35 -0.161 -0.727 -6.762 1.00 0.00 C ATOM 1664 O SER B 35 0.020 0.305 -6.132 1.00 0.00 O ATOM 1665 CB SER B 35 1.734 -1.672 -8.122 1.00 0.00 C ATOM 1666 OG SER B 35 0.977 -2.108 -9.239 1.00 0.00 O ATOM 0 H SER B 35 0.618 -3.756 -7.453 1.00 0.00 H new ATOM 0 HA SER B 35 1.591 -1.603 -5.984 1.00 0.00 H new ATOM 0 HB2 SER B 35 2.042 -0.637 -8.269 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.644 -2.267 -8.041 1.00 0.00 H new ATOM 0 HG SER B 35 1.166 -3.054 -9.413 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.302 -1.003 -7.362 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.372 -0.036 -7.382 1.00 0.00 C ATOM 1674 C ARG B 36 -3.134 -0.006 -6.057 1.00 0.00 C ATOM 1675 O ARG B 36 -3.648 1.045 -5.653 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.311 -0.270 -8.561 1.00 0.00 C ATOM 1677 CG ARG B 36 -4.136 -1.538 -8.494 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.880 -1.761 -9.788 1.00 0.00 C ATOM 1679 NE ARG B 36 -5.653 -0.575 -10.198 1.00 0.00 N ATOM 1680 CZ ARG B 36 -6.819 -0.600 -10.839 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -7.514 -1.722 -10.922 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -7.323 0.522 -11.316 1.00 0.00 N ATOM 0 H ARG B 36 -1.508 -1.882 -7.837 1.00 0.00 H new ATOM 0 HA ARG B 36 -1.918 0.946 -7.513 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -3.989 0.580 -8.638 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -2.719 -0.290 -9.476 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.487 -2.390 -8.291 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -4.844 -1.473 -7.668 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.170 -2.019 -10.574 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.554 -2.611 -9.676 1.00 0.00 H new ATOM 0 HE ARG B 36 -5.262 0.340 -9.972 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -7.157 -2.576 -10.493 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -8.407 -1.734 -11.415 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -6.819 1.400 -11.192 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -8.216 0.511 -11.808 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.200 -1.138 -5.370 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.888 -1.185 -4.081 1.00 0.00 C ATOM 1698 C ASP B 37 -3.012 -0.503 -3.049 1.00 0.00 C ATOM 1699 O ASP B 37 -3.485 0.222 -2.176 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.178 -2.621 -3.667 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.250 -2.703 -2.603 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -4.954 -2.607 -1.410 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -6.446 -2.824 -2.960 1.00 0.00 O ATOM 0 H ASP B 37 -2.794 -2.023 -5.674 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.846 -0.670 -4.160 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.491 -3.193 -4.540 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.263 -3.082 -3.295 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.725 -0.725 -3.201 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.688 -0.076 -2.422 1.00 0.00 C ATOM 1710 C LEU B 38 -0.756 1.424 -2.645 1.00 0.00 C ATOM 1711 O LEU B 38 -0.773 2.204 -1.700 1.00 0.00 O ATOM 1712 CB LEU B 38 0.672 -0.651 -2.868 1.00 0.00 C ATOM 1713 CG LEU B 38 1.955 0.078 -2.470 1.00 0.00 C ATOM 1714 CD1 LEU B 38 2.090 0.213 -0.978 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.147 -0.654 -3.036 1.00 0.00 C ATOM 0 H LEU B 38 -1.358 -1.381 -3.890 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.822 -0.260 -1.356 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.740 -1.669 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.658 -0.721 -3.956 1.00 0.00 H new ATOM 0 HG LEU B 38 1.909 1.086 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU B 38 3.016 0.737 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU B 38 1.244 0.777 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU B 38 2.108 -0.777 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU B 38 4.062 -0.134 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.170 -1.670 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.071 -0.687 -4.123 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.842 1.802 -3.906 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.934 3.195 -4.316 1.00 0.00 C ATOM 1729 C ASP B 39 -2.139 3.876 -3.666 1.00 0.00 C ATOM 1730 O ASP B 39 -2.022 4.978 -3.144 1.00 0.00 O ATOM 1731 CB ASP B 39 -1.033 3.278 -5.848 1.00 0.00 C ATOM 1732 CG ASP B 39 -0.995 4.686 -6.396 1.00 0.00 C ATOM 1733 OD1 ASP B 39 0.116 5.239 -6.560 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -2.054 5.243 -6.729 1.00 0.00 O ATOM 0 H ASP B 39 -0.850 1.144 -4.686 1.00 0.00 H new ATOM 0 HA ASP B 39 -0.035 3.717 -3.986 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.213 2.708 -6.285 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.959 2.801 -6.167 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.279 3.171 -3.625 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.509 3.739 -3.072 1.00 0.00 C ATOM 1741 C LYS B 40 -4.361 3.994 -1.574 1.00 0.00 C ATOM 1742 O LYS B 40 -4.804 5.029 -1.068 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.747 2.839 -3.342 1.00 0.00 C ATOM 1744 CG LYS B 40 -6.085 1.812 -2.247 1.00 0.00 C ATOM 1745 CD LYS B 40 -7.206 0.869 -2.637 1.00 0.00 C ATOM 1746 CE LYS B 40 -7.729 0.089 -1.423 1.00 0.00 C ATOM 1747 NZ LYS B 40 -6.676 -0.649 -0.683 1.00 0.00 N ATOM 0 H LYS B 40 -3.371 2.214 -3.966 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.676 4.688 -3.581 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -6.614 3.483 -3.489 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -5.585 2.303 -4.277 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -5.193 1.230 -2.017 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -6.365 2.341 -1.336 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -8.021 1.436 -3.086 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -6.849 0.171 -3.394 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -8.219 0.784 -0.741 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -8.488 -0.618 -1.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -6.985 -1.629 -0.525 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -5.797 -0.649 -1.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -6.507 -0.187 0.233 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.702 3.060 -0.887 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.490 3.140 0.544 1.00 0.00 C ATOM 1763 C LEU B 41 -2.612 4.321 0.853 1.00 0.00 C ATOM 1764 O LEU B 41 -2.843 5.059 1.817 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.839 1.843 1.044 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.427 1.800 2.521 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.623 1.962 3.446 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.688 0.514 2.817 1.00 0.00 C ATOM 0 H LEU B 41 -3.302 2.226 -1.317 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.447 3.267 1.051 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.533 1.022 0.861 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.953 1.652 0.439 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.761 2.642 2.708 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.289 1.926 4.483 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -4.105 2.921 3.253 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.334 1.156 3.266 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.400 0.494 3.868 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.336 -0.336 2.602 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -0.795 0.456 2.195 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.662 4.535 -0.011 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.723 5.601 0.162 1.00 0.00 C ATOM 1782 C ILE B 42 -1.409 6.926 -0.057 1.00 0.00 C ATOM 1783 O ILE B 42 -1.427 7.756 0.839 1.00 0.00 O ATOM 1784 CB ILE B 42 0.531 5.437 -0.739 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.282 4.171 -0.330 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.451 6.647 -0.625 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.514 3.887 -1.140 1.00 0.00 C ATOM 0 H ILE B 42 -1.518 3.976 -0.852 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.355 5.567 1.188 1.00 0.00 H new ATOM 0 HB ILE B 42 0.208 5.357 -1.777 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.564 4.255 0.720 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.605 3.320 -0.411 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.321 6.505 -1.267 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.914 7.543 -0.936 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.777 6.760 0.409 1.00 0.00 H new ATOM 0 HD11 ILE B 42 2.983 2.971 -0.781 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.241 3.768 -2.188 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.214 4.716 -1.040 1.00 0.00 H new ATOM 1799 N ASN B 43 -2.055 7.076 -1.210 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.778 8.315 -1.578 1.00 0.00 C ATOM 1801 C ASN B 43 -3.785 8.704 -0.501 1.00 0.00 C ATOM 1802 O ASN B 43 -3.974 9.892 -0.201 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.533 8.148 -2.900 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.651 7.843 -4.090 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -1.496 8.273 -4.165 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -3.186 7.099 -5.021 1.00 0.00 N ATOM 0 H ASN B 43 -2.099 6.349 -1.924 1.00 0.00 H new ATOM 0 HA ASN B 43 -2.025 9.096 -1.682 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.262 7.346 -2.789 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.092 9.061 -3.103 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -2.645 6.852 -5.850 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -4.144 6.765 -4.919 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.417 7.696 0.078 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.376 7.867 1.154 1.00 0.00 C ATOM 1815 C LYS B 44 -4.731 8.565 2.345 1.00 0.00 C ATOM 1816 O LYS B 44 -5.264 9.534 2.871 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.922 6.497 1.576 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.860 6.519 2.776 1.00 0.00 C ATOM 1819 CD LYS B 44 -7.318 5.122 3.156 1.00 0.00 C ATOM 1820 CE LYS B 44 -8.248 4.535 2.108 1.00 0.00 C ATOM 1821 NZ LYS B 44 -9.566 5.233 2.062 1.00 0.00 N ATOM 0 H LYS B 44 -4.275 6.722 -0.191 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.197 8.490 0.798 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.449 6.057 0.730 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -5.081 5.842 1.803 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.355 6.980 3.625 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.728 7.137 2.548 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -6.450 4.474 3.277 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.828 5.155 4.119 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -7.773 4.597 1.129 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -8.407 3.477 2.319 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -10.227 4.688 1.472 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -9.949 5.316 3.025 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -9.442 6.182 1.656 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.581 8.087 2.738 1.00 0.00 N ATOM 1836 CA PHE B 45 -2.883 8.630 3.881 1.00 0.00 C ATOM 1837 C PHE B 45 -2.143 9.920 3.582 1.00 0.00 C ATOM 1838 O PHE B 45 -2.000 10.776 4.458 1.00 0.00 O ATOM 1839 CB PHE B 45 -1.978 7.595 4.513 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.726 6.660 5.403 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.376 5.544 4.905 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.790 6.920 6.750 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -4.078 4.707 5.746 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.487 6.088 7.598 1.00 0.00 C ATOM 1845 CZ PHE B 45 -4.134 4.980 7.093 1.00 0.00 C ATOM 0 H PHE B 45 -3.100 7.313 2.280 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.651 8.897 4.607 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.477 7.026 3.730 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.200 8.098 5.088 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.333 5.327 3.848 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.287 7.788 7.150 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.583 3.839 5.348 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.527 6.303 8.656 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.684 4.327 7.754 1.00 0.00 H new ATOM 1855 N MET B 46 -1.700 10.083 2.343 1.00 0.00 N ATOM 1856 CA MET B 46 -1.007 11.312 1.932 1.00 0.00 C ATOM 1857 C MET B 46 -1.995 12.471 1.930 1.00 0.00 C ATOM 1858 O MET B 46 -1.607 13.644 1.986 1.00 0.00 O ATOM 1859 CB MET B 46 -0.415 11.174 0.530 1.00 0.00 C ATOM 1860 CG MET B 46 0.441 9.951 0.354 1.00 0.00 C ATOM 1861 SD MET B 46 1.592 10.080 -0.993 1.00 0.00 S ATOM 1862 CE MET B 46 2.763 11.155 -0.215 1.00 0.00 C ATOM 0 H MET B 46 -1.804 9.388 1.603 1.00 0.00 H new ATOM 0 HA MET B 46 -0.197 11.495 2.638 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.227 11.146 -0.197 1.00 0.00 H new ATOM 0 HB3 MET B 46 0.181 12.059 0.308 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.992 9.767 1.276 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.203 9.087 0.190 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.734 11.046 -0.698 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.426 12.188 -0.307 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.851 10.895 0.840 1.00 0.00 H new