USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 449 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 156 GLN : amide:sc= -4.64 K(o=-4,f=-14!) USER MOD Set 1.2: A 170 LYS NZ :NH3+ -114:sc= 0.625 (180deg=-0.108) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 ASN : amide:sc= -2.18 K(o=-2.2,f=-3.2) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 159:sc= -0.0617 (180deg=-0.373) USER MOD Single : A 138 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-0.27) USER MOD Single : A 141 ASN : amide:sc= -6.07! C(o=-6.1!,f=-15!) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.1!) USER MOD Single : A 147 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 SER OG : rot 180:sc= 0 USER MOD Single : A 154 GLN : amide:sc= -0.674 X(o=-0.67,f=-0.18) USER MOD Single : A 158 ASN : amide:sc= 1.15 K(o=1.2,f=-0.12) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 ASN : amide:sc= -0.0778 K(o=-0.078,f=-1.6) USER MOD Single : A 169 SER OG : rot -78:sc= 0.701 USER MOD ----------------------------------------------------------------- ATOM 61 N PRO A 122 14.956 3.921 0.595 1.00 0.00 N ATOM 62 CA PRO A 122 13.910 3.128 1.240 1.00 0.00 C ATOM 63 C PRO A 122 12.776 4.003 1.758 1.00 0.00 C ATOM 64 O PRO A 122 11.601 3.666 1.615 1.00 0.00 O ATOM 65 CB PRO A 122 14.635 2.436 2.407 1.00 0.00 C ATOM 66 CG PRO A 122 15.953 3.130 2.528 1.00 0.00 C ATOM 67 CD PRO A 122 16.282 3.639 1.155 1.00 0.00 C ATOM 0 HA PRO A 122 13.445 2.426 0.548 1.00 0.00 H new ATOM 0 HB2 PRO A 122 14.061 2.520 3.330 1.00 0.00 H new ATOM 0 HB3 PRO A 122 14.768 1.372 2.210 1.00 0.00 H new ATOM 0 HG2 PRO A 122 15.898 3.949 3.245 1.00 0.00 H new ATOM 0 HG3 PRO A 122 16.723 2.446 2.885 1.00 0.00 H new ATOM 0 HD2 PRO A 122 16.905 4.532 1.192 1.00 0.00 H new ATOM 0 HD3 PRO A 122 16.822 2.898 0.566 1.00 0.00 H new ATOM 75 N GLU A 123 13.138 5.127 2.365 1.00 0.00 N ATOM 76 CA GLU A 123 12.154 6.051 2.910 1.00 0.00 C ATOM 77 C GLU A 123 11.209 6.560 1.827 1.00 0.00 C ATOM 78 O GLU A 123 10.020 6.758 2.075 1.00 0.00 O ATOM 79 CB GLU A 123 12.853 7.233 3.586 1.00 0.00 C ATOM 80 CG GLU A 123 11.900 8.162 4.320 1.00 0.00 C ATOM 81 CD GLU A 123 12.258 9.624 4.139 1.00 0.00 C ATOM 82 OE1 GLU A 123 11.513 10.334 3.430 1.00 0.00 O ATOM 83 OE2 GLU A 123 13.283 10.059 4.704 1.00 0.00 O ATOM 0 H GLU A 123 14.107 5.420 2.492 1.00 0.00 H new ATOM 0 HA GLU A 123 11.564 5.509 3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 123 13.592 6.853 4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 123 13.395 7.804 2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 123 10.885 7.993 3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 123 11.907 7.919 5.382 1.00 0.00 H new ATOM 90 N GLU A 124 11.741 6.781 0.629 1.00 0.00 N ATOM 91 CA GLU A 124 10.934 7.278 -0.477 1.00 0.00 C ATOM 92 C GLU A 124 10.019 6.192 -1.026 1.00 0.00 C ATOM 93 O GLU A 124 8.841 6.433 -1.282 1.00 0.00 O ATOM 94 CB GLU A 124 11.830 7.822 -1.589 1.00 0.00 C ATOM 95 CG GLU A 124 11.062 8.493 -2.716 1.00 0.00 C ATOM 96 CD GLU A 124 11.180 10.005 -2.685 1.00 0.00 C ATOM 97 OE1 GLU A 124 12.321 10.513 -2.711 1.00 0.00 O ATOM 98 OE2 GLU A 124 10.131 10.681 -2.637 1.00 0.00 O ATOM 0 H GLU A 124 12.723 6.624 0.401 1.00 0.00 H new ATOM 0 HA GLU A 124 10.310 8.086 -0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 124 12.531 8.539 -1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 124 12.422 7.004 -2.000 1.00 0.00 H new ATOM 0 HG2 GLU A 124 11.431 8.123 -3.673 1.00 0.00 H new ATOM 0 HG3 GLU A 124 10.011 8.213 -2.651 1.00 0.00 H new ATOM 105 N ILE A 125 10.565 4.998 -1.201 1.00 0.00 N ATOM 106 CA ILE A 125 9.785 3.883 -1.715 1.00 0.00 C ATOM 107 C ILE A 125 8.706 3.484 -0.714 1.00 0.00 C ATOM 108 O ILE A 125 7.564 3.215 -1.085 1.00 0.00 O ATOM 109 CB ILE A 125 10.684 2.671 -2.038 1.00 0.00 C ATOM 110 CG1 ILE A 125 9.854 1.508 -2.597 1.00 0.00 C ATOM 111 CG2 ILE A 125 11.475 2.247 -0.809 1.00 0.00 C ATOM 112 CD1 ILE A 125 9.166 0.666 -1.543 1.00 0.00 C ATOM 0 H ILE A 125 11.539 4.777 -0.996 1.00 0.00 H new ATOM 0 HA ILE A 125 9.309 4.207 -2.641 1.00 0.00 H new ATOM 0 HB ILE A 125 11.396 2.967 -2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 125 9.099 1.909 -3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 125 10.505 0.865 -3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 125 12.103 1.391 -1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 125 12.103 3.074 -0.478 1.00 0.00 H new ATOM 0 HG23 ILE A 125 10.786 1.972 -0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 125 8.602 -0.132 -2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 125 9.914 0.232 -0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 125 8.486 1.291 -0.964 1.00 0.00 H new ATOM 124 N LYS A 126 9.072 3.457 0.560 1.00 0.00 N ATOM 125 CA LYS A 126 8.130 3.108 1.611 1.00 0.00 C ATOM 126 C LYS A 126 7.042 4.163 1.737 1.00 0.00 C ATOM 127 O LYS A 126 5.860 3.841 1.855 1.00 0.00 O ATOM 128 CB LYS A 126 8.858 2.929 2.946 1.00 0.00 C ATOM 129 CG LYS A 126 7.932 2.645 4.120 1.00 0.00 C ATOM 130 CD LYS A 126 8.231 3.554 5.303 1.00 0.00 C ATOM 131 CE LYS A 126 7.834 2.906 6.620 1.00 0.00 C ATOM 132 NZ LYS A 126 8.206 3.749 7.790 1.00 0.00 N ATOM 0 H LYS A 126 10.013 3.672 0.889 1.00 0.00 H new ATOM 0 HA LYS A 126 7.658 2.163 1.343 1.00 0.00 H new ATOM 0 HB2 LYS A 126 9.572 2.110 2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.433 3.830 3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 126 6.896 2.781 3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 126 8.039 1.604 4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 126 9.294 3.792 5.320 1.00 0.00 H new ATOM 0 HD3 LYS A 126 7.695 4.496 5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 126 6.758 2.729 6.628 1.00 0.00 H new ATOM 0 HE3 LYS A 126 8.317 1.933 6.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 7.918 3.271 8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 9.235 3.897 7.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 7.725 4.668 7.722 1.00 0.00 H new ATOM 146 N ALA A 127 7.446 5.426 1.710 1.00 0.00 N ATOM 147 CA ALA A 127 6.497 6.523 1.820 1.00 0.00 C ATOM 148 C ALA A 127 5.631 6.609 0.577 1.00 0.00 C ATOM 149 O ALA A 127 4.432 6.872 0.666 1.00 0.00 O ATOM 150 CB ALA A 127 7.225 7.838 2.058 1.00 0.00 C ATOM 0 H ALA A 127 8.420 5.714 1.613 1.00 0.00 H new ATOM 0 HA ALA A 127 5.849 6.330 2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 127 6.499 8.647 2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 127 7.799 7.774 2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 127 7.899 8.037 1.225 1.00 0.00 H new ATOM 156 N LYS A 128 6.234 6.382 -0.585 1.00 0.00 N ATOM 157 CA LYS A 128 5.488 6.435 -1.831 1.00 0.00 C ATOM 158 C LYS A 128 4.421 5.351 -1.855 1.00 0.00 C ATOM 159 O LYS A 128 3.282 5.603 -2.250 1.00 0.00 O ATOM 160 CB LYS A 128 6.418 6.318 -3.047 1.00 0.00 C ATOM 161 CG LYS A 128 6.810 4.894 -3.405 1.00 0.00 C ATOM 162 CD LYS A 128 7.516 4.833 -4.750 1.00 0.00 C ATOM 163 CE LYS A 128 8.858 5.548 -4.709 1.00 0.00 C ATOM 164 NZ LYS A 128 9.044 6.448 -5.881 1.00 0.00 N ATOM 0 H LYS A 128 7.225 6.162 -0.687 1.00 0.00 H new ATOM 0 HA LYS A 128 4.997 7.406 -1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 128 5.929 6.774 -3.908 1.00 0.00 H new ATOM 0 HB3 LYS A 128 7.323 6.893 -2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 128 7.463 4.490 -2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 128 5.920 4.266 -3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 128 7.666 3.792 -5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 128 6.885 5.286 -5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 128 8.932 6.129 -3.790 1.00 0.00 H new ATOM 0 HE3 LYS A 128 9.661 4.811 -4.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 9.970 6.916 -5.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 8.999 5.890 -6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 8.293 7.167 -5.889 1.00 0.00 H new ATOM 178 N ALA A 129 4.778 4.147 -1.410 1.00 0.00 N ATOM 179 CA ALA A 129 3.818 3.057 -1.370 1.00 0.00 C ATOM 180 C ALA A 129 2.706 3.378 -0.389 1.00 0.00 C ATOM 181 O ALA A 129 1.528 3.271 -0.709 1.00 0.00 O ATOM 182 CB ALA A 129 4.502 1.748 -1.006 1.00 0.00 C ATOM 0 H ALA A 129 5.712 3.908 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 129 3.382 2.940 -2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 129 3.764 0.946 -0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 129 5.265 1.517 -1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 129 4.968 1.842 -0.025 1.00 0.00 H new ATOM 188 N LEU A 130 3.099 3.770 0.811 1.00 0.00 N ATOM 189 CA LEU A 130 2.154 4.116 1.863 1.00 0.00 C ATOM 190 C LEU A 130 1.253 5.265 1.438 1.00 0.00 C ATOM 191 O LEU A 130 0.066 5.287 1.759 1.00 0.00 O ATOM 192 CB LEU A 130 2.923 4.485 3.135 1.00 0.00 C ATOM 193 CG LEU A 130 2.901 3.423 4.237 1.00 0.00 C ATOM 194 CD1 LEU A 130 4.299 3.193 4.786 1.00 0.00 C ATOM 195 CD2 LEU A 130 1.949 3.830 5.352 1.00 0.00 C ATOM 0 H LEU A 130 4.078 3.858 1.084 1.00 0.00 H new ATOM 0 HA LEU A 130 1.518 3.252 2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 130 3.960 4.688 2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 130 2.510 5.411 3.535 1.00 0.00 H new ATOM 0 HG LEU A 130 2.545 2.488 3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 130 4.263 2.435 5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.954 2.855 3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 130 4.685 4.124 5.201 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.947 3.063 6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.275 4.778 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 130 0.943 3.941 4.949 1.00 0.00 H new ATOM 207 N ASP A 131 1.820 6.219 0.716 1.00 0.00 N ATOM 208 CA ASP A 131 1.058 7.368 0.254 1.00 0.00 C ATOM 209 C ASP A 131 0.059 6.962 -0.822 1.00 0.00 C ATOM 210 O ASP A 131 -1.110 7.342 -0.766 1.00 0.00 O ATOM 211 CB ASP A 131 1.993 8.454 -0.279 1.00 0.00 C ATOM 212 CG ASP A 131 1.373 9.836 -0.209 1.00 0.00 C ATOM 213 OD1 ASP A 131 1.683 10.578 0.747 1.00 0.00 O ATOM 214 OD2 ASP A 131 0.577 10.176 -1.110 1.00 0.00 O ATOM 0 H ASP A 131 2.801 6.221 0.438 1.00 0.00 H new ATOM 0 HA ASP A 131 0.505 7.767 1.104 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.920 8.445 0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 131 2.255 8.228 -1.313 1.00 0.00 H new ATOM 219 N LEU A 132 0.519 6.194 -1.806 1.00 0.00 N ATOM 220 CA LEU A 132 -0.356 5.761 -2.884 1.00 0.00 C ATOM 221 C LEU A 132 -1.357 4.725 -2.391 1.00 0.00 C ATOM 222 O LEU A 132 -2.489 4.668 -2.872 1.00 0.00 O ATOM 223 CB LEU A 132 0.459 5.191 -4.042 1.00 0.00 C ATOM 224 CG LEU A 132 1.307 3.971 -3.695 1.00 0.00 C ATOM 225 CD1 LEU A 132 0.457 2.708 -3.693 1.00 0.00 C ATOM 226 CD2 LEU A 132 2.463 3.836 -4.670 1.00 0.00 C ATOM 0 H LEU A 132 1.481 5.863 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 132 -0.907 6.633 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -0.223 4.923 -4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 132 1.114 5.973 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 132 1.714 4.108 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 132 1.081 1.850 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -0.338 2.806 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 132 0.019 2.563 -4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 132 3.059 2.961 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 132 2.074 3.722 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 132 3.087 4.728 -4.620 1.00 0.00 H new ATOM 238 N LEU A 133 -0.949 3.921 -1.419 1.00 0.00 N ATOM 239 CA LEU A 133 -1.826 2.909 -0.856 1.00 0.00 C ATOM 240 C LEU A 133 -2.846 3.568 0.056 1.00 0.00 C ATOM 241 O LEU A 133 -4.022 3.207 0.053 1.00 0.00 O ATOM 242 CB LEU A 133 -1.022 1.866 -0.078 1.00 0.00 C ATOM 243 CG LEU A 133 -0.546 0.666 -0.903 1.00 0.00 C ATOM 244 CD1 LEU A 133 0.947 0.445 -0.718 1.00 0.00 C ATOM 245 CD2 LEU A 133 -1.322 -0.586 -0.522 1.00 0.00 C ATOM 0 H LEU A 133 -0.017 3.951 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 133 -2.343 2.402 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.152 2.354 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -1.633 1.501 0.748 1.00 0.00 H new ATOM 0 HG LEU A 133 -0.732 0.880 -1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 133 1.264 -0.412 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 133 1.489 1.333 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 133 1.159 0.255 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -0.970 -1.428 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -1.169 -0.801 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -2.384 -0.427 -0.710 1.00 0.00 H new ATOM 257 N ASN A 134 -2.390 4.549 0.833 1.00 0.00 N ATOM 258 CA ASN A 134 -3.278 5.261 1.738 1.00 0.00 C ATOM 259 C ASN A 134 -4.351 6.000 0.952 1.00 0.00 C ATOM 260 O ASN A 134 -5.531 5.954 1.301 1.00 0.00 O ATOM 261 CB ASN A 134 -2.487 6.253 2.588 1.00 0.00 C ATOM 262 CG ASN A 134 -1.898 5.614 3.827 1.00 0.00 C ATOM 263 OD1 ASN A 134 -2.550 4.816 4.500 1.00 0.00 O ATOM 264 ND2 ASN A 134 -0.658 5.966 4.137 1.00 0.00 N ATOM 0 H ASN A 134 -1.420 4.864 0.852 1.00 0.00 H new ATOM 0 HA ASN A 134 -3.755 4.533 2.394 1.00 0.00 H new ATOM 0 HB2 ASN A 134 -1.684 6.682 1.988 1.00 0.00 H new ATOM 0 HB3 ASN A 134 -3.139 7.075 2.882 1.00 0.00 H new ATOM 0 HD21 ASN A 134 -0.207 5.571 4.962 1.00 0.00 H new ATOM 0 HD22 ASN A 134 -0.155 6.631 3.550 1.00 0.00 H new ATOM 271 N LYS A 135 -3.937 6.680 -0.110 1.00 0.00 N ATOM 272 CA LYS A 135 -4.873 7.427 -0.941 1.00 0.00 C ATOM 273 C LYS A 135 -5.839 6.479 -1.644 1.00 0.00 C ATOM 274 O LYS A 135 -7.037 6.749 -1.725 1.00 0.00 O ATOM 275 CB LYS A 135 -4.123 8.287 -1.965 1.00 0.00 C ATOM 276 CG LYS A 135 -3.557 7.502 -3.138 1.00 0.00 C ATOM 277 CD LYS A 135 -2.961 8.427 -4.187 1.00 0.00 C ATOM 278 CE LYS A 135 -2.081 7.667 -5.166 1.00 0.00 C ATOM 279 NZ LYS A 135 -2.214 8.188 -6.554 1.00 0.00 N ATOM 0 H LYS A 135 -2.965 6.730 -0.415 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.449 8.090 -0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -4.799 9.052 -2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -3.307 8.805 -1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -2.792 6.813 -2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -4.345 6.898 -3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -3.763 8.927 -4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -2.375 9.204 -3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -1.040 7.739 -4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -2.347 6.610 -5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -1.598 7.643 -7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -3.202 8.096 -6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -1.935 9.190 -6.577 1.00 0.00 H new ATOM 293 N LYS A 136 -5.314 5.361 -2.138 1.00 0.00 N ATOM 294 CA LYS A 136 -6.140 4.371 -2.815 1.00 0.00 C ATOM 295 C LYS A 136 -7.085 3.717 -1.824 1.00 0.00 C ATOM 296 O LYS A 136 -8.233 3.416 -2.152 1.00 0.00 O ATOM 297 CB LYS A 136 -5.268 3.314 -3.499 1.00 0.00 C ATOM 298 CG LYS A 136 -5.158 3.498 -5.004 1.00 0.00 C ATOM 299 CD LYS A 136 -3.877 4.224 -5.385 1.00 0.00 C ATOM 300 CE LYS A 136 -2.677 3.290 -5.353 1.00 0.00 C ATOM 301 NZ LYS A 136 -2.751 2.253 -6.419 1.00 0.00 N ATOM 0 H LYS A 136 -4.324 5.120 -2.082 1.00 0.00 H new ATOM 0 HA LYS A 136 -6.727 4.875 -3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -4.269 3.342 -3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -5.679 2.326 -3.291 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -5.185 2.524 -5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -6.018 4.061 -5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -3.982 4.650 -6.383 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -3.711 5.055 -4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -1.762 3.870 -5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -2.620 2.805 -4.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -1.800 1.875 -6.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -3.376 1.481 -6.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -3.129 2.677 -7.290 1.00 0.00 H new ATOM 315 N LEU A 137 -6.607 3.522 -0.601 1.00 0.00 N ATOM 316 CA LEU A 137 -7.420 2.930 0.446 1.00 0.00 C ATOM 317 C LEU A 137 -8.532 3.893 0.829 1.00 0.00 C ATOM 318 O LEU A 137 -9.683 3.498 1.017 1.00 0.00 O ATOM 319 CB LEU A 137 -6.547 2.622 1.666 1.00 0.00 C ATOM 320 CG LEU A 137 -7.298 2.120 2.896 1.00 0.00 C ATOM 321 CD1 LEU A 137 -7.842 0.722 2.653 1.00 0.00 C ATOM 322 CD2 LEU A 137 -6.392 2.137 4.118 1.00 0.00 C ATOM 0 H LEU A 137 -5.660 3.766 -0.313 1.00 0.00 H new ATOM 0 HA LEU A 137 -7.861 2.001 0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -5.806 1.874 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -6.000 3.525 1.938 1.00 0.00 H new ATOM 0 HG LEU A 137 -8.139 2.788 3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -8.375 0.380 3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -8.525 0.740 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -7.017 0.042 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -6.944 1.776 4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -5.531 1.492 3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -6.050 3.155 4.304 1.00 0.00 H new ATOM 334 N HIS A 138 -8.172 5.167 0.925 1.00 0.00 N ATOM 335 CA HIS A 138 -9.126 6.212 1.265 1.00 0.00 C ATOM 336 C HIS A 138 -10.112 6.415 0.124 1.00 0.00 C ATOM 337 O HIS A 138 -11.306 6.618 0.347 1.00 0.00 O ATOM 338 CB HIS A 138 -8.398 7.522 1.572 1.00 0.00 C ATOM 339 CG HIS A 138 -7.761 7.549 2.926 1.00 0.00 C ATOM 340 ND1 HIS A 138 -8.482 7.457 4.098 1.00 0.00 N ATOM 341 CD2 HIS A 138 -6.462 7.655 3.293 1.00 0.00 C ATOM 342 CE1 HIS A 138 -7.655 7.507 5.127 1.00 0.00 C ATOM 343 NE2 HIS A 138 -6.423 7.626 4.665 1.00 0.00 N ATOM 0 H HIS A 138 -7.221 5.501 0.771 1.00 0.00 H new ATOM 0 HA HIS A 138 -9.675 5.903 2.154 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -7.631 7.688 0.815 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -9.105 8.348 1.496 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -5.614 7.746 2.630 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -7.938 7.459 6.168 1.00 0.00 H new ATOM 0 HE2 HIS A 138 -5.579 7.687 5.235 1.00 0.00 H new ATOM 352 N ARG A 139 -9.608 6.342 -1.102 1.00 0.00 N ATOM 353 CA ARG A 139 -10.448 6.500 -2.280 1.00 0.00 C ATOM 354 C ARG A 139 -11.349 5.285 -2.450 1.00 0.00 C ATOM 355 O ARG A 139 -12.530 5.409 -2.764 1.00 0.00 O ATOM 356 CB ARG A 139 -9.591 6.704 -3.531 1.00 0.00 C ATOM 357 CG ARG A 139 -9.588 8.136 -4.039 1.00 0.00 C ATOM 358 CD ARG A 139 -8.897 9.072 -3.061 1.00 0.00 C ATOM 359 NE ARG A 139 -8.996 10.469 -3.480 1.00 0.00 N ATOM 360 CZ ARG A 139 -8.198 11.436 -3.032 1.00 0.00 C ATOM 361 NH1 ARG A 139 -7.243 11.164 -2.152 1.00 0.00 N ATOM 362 NH2 ARG A 139 -8.355 12.679 -3.466 1.00 0.00 N ATOM 0 H ARG A 139 -8.623 6.175 -1.305 1.00 0.00 H new ATOM 0 HA ARG A 139 -11.071 7.384 -2.143 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -8.567 6.403 -3.313 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -9.955 6.048 -4.322 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -9.084 8.180 -5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -10.614 8.468 -4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.342 8.957 -2.073 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -7.847 8.793 -2.972 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.719 10.718 -4.155 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -7.117 10.210 -1.815 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -6.635 11.909 -1.813 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -9.087 12.894 -4.143 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -7.744 13.420 -3.123 1.00 0.00 H new ATOM 376 N ALA A 140 -10.781 4.107 -2.236 1.00 0.00 N ATOM 377 CA ALA A 140 -11.537 2.869 -2.364 1.00 0.00 C ATOM 378 C ALA A 140 -12.644 2.781 -1.318 1.00 0.00 C ATOM 379 O ALA A 140 -13.782 2.431 -1.629 1.00 0.00 O ATOM 380 CB ALA A 140 -10.607 1.671 -2.254 1.00 0.00 C ATOM 0 H ALA A 140 -9.803 3.982 -1.974 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.008 2.864 -3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -11.185 0.752 -2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -9.860 1.716 -3.047 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -10.108 1.685 -1.285 1.00 0.00 H new ATOM 386 N ASN A 141 -12.304 3.088 -0.075 1.00 0.00 N ATOM 387 CA ASN A 141 -13.275 3.024 1.013 1.00 0.00 C ATOM 388 C ASN A 141 -14.327 4.124 0.904 1.00 0.00 C ATOM 389 O ASN A 141 -15.462 3.950 1.348 1.00 0.00 O ATOM 390 CB ASN A 141 -12.574 3.085 2.374 1.00 0.00 C ATOM 391 CG ASN A 141 -11.948 4.434 2.685 1.00 0.00 C ATOM 392 OD1 ASN A 141 -12.401 5.474 2.213 1.00 0.00 O ATOM 393 ND2 ASN A 141 -10.898 4.418 3.499 1.00 0.00 N ATOM 0 H ASN A 141 -11.369 3.383 0.207 1.00 0.00 H new ATOM 0 HA ASN A 141 -13.790 2.067 0.928 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -13.295 2.842 3.154 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -11.799 2.320 2.407 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -10.437 5.291 3.754 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -10.553 3.532 3.869 1.00 0.00 H new ATOM 400 N LYS A 142 -13.952 5.254 0.320 1.00 0.00 N ATOM 401 CA LYS A 142 -14.882 6.370 0.171 1.00 0.00 C ATOM 402 C LYS A 142 -15.822 6.154 -1.014 1.00 0.00 C ATOM 403 O LYS A 142 -16.966 6.609 -0.999 1.00 0.00 O ATOM 404 CB LYS A 142 -14.122 7.697 0.045 1.00 0.00 C ATOM 405 CG LYS A 142 -13.664 8.031 -1.363 1.00 0.00 C ATOM 406 CD LYS A 142 -12.965 9.381 -1.420 1.00 0.00 C ATOM 407 CE LYS A 142 -13.843 10.440 -2.072 1.00 0.00 C ATOM 408 NZ LYS A 142 -13.153 11.757 -2.162 1.00 0.00 N ATOM 0 H LYS A 142 -13.019 5.424 -0.056 1.00 0.00 H new ATOM 0 HA LYS A 142 -15.497 6.418 1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -14.761 8.503 0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -13.250 7.665 0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -12.987 7.255 -1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -14.523 8.037 -2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -12.701 9.697 -0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -12.034 9.286 -1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -14.127 10.110 -3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -14.764 10.551 -1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -13.785 12.450 -2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -12.904 12.084 -1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -12.288 11.657 -2.730 1.00 0.00 H new ATOM 422 N PHE A 143 -15.338 5.456 -2.035 1.00 0.00 N ATOM 423 CA PHE A 143 -16.148 5.179 -3.220 1.00 0.00 C ATOM 424 C PHE A 143 -16.992 3.916 -3.042 1.00 0.00 C ATOM 425 O PHE A 143 -17.805 3.580 -3.902 1.00 0.00 O ATOM 426 CB PHE A 143 -15.261 5.044 -4.459 1.00 0.00 C ATOM 427 CG PHE A 143 -14.901 6.363 -5.076 1.00 0.00 C ATOM 428 CD1 PHE A 143 -15.372 6.715 -6.331 1.00 0.00 C ATOM 429 CD2 PHE A 143 -14.093 7.253 -4.395 1.00 0.00 C ATOM 430 CE1 PHE A 143 -15.041 7.934 -6.891 1.00 0.00 C ATOM 431 CE2 PHE A 143 -13.756 8.472 -4.949 1.00 0.00 C ATOM 432 CZ PHE A 143 -14.230 8.814 -6.199 1.00 0.00 C ATOM 0 H PHE A 143 -14.394 5.072 -2.068 1.00 0.00 H new ATOM 0 HA PHE A 143 -16.825 6.022 -3.356 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -14.347 4.516 -4.187 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -15.775 4.432 -5.200 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -16.004 6.030 -6.877 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -13.720 6.992 -3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -15.416 8.199 -7.869 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -13.122 9.157 -4.405 1.00 0.00 H new ATOM 0 HZ PHE A 143 -13.968 9.767 -6.635 1.00 0.00 H new ATOM 442 N GLY A 144 -16.805 3.223 -1.920 1.00 0.00 N ATOM 443 CA GLY A 144 -17.569 2.015 -1.657 1.00 0.00 C ATOM 444 C GLY A 144 -16.951 0.765 -2.260 1.00 0.00 C ATOM 445 O GLY A 144 -17.605 -0.277 -2.330 1.00 0.00 O ATOM 0 H GLY A 144 -16.139 3.476 -1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -17.663 1.881 -0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -18.577 2.139 -2.052 1.00 0.00 H new ATOM 449 N GLN A 145 -15.696 0.861 -2.703 1.00 0.00 N ATOM 450 CA GLN A 145 -15.006 -0.282 -3.304 1.00 0.00 C ATOM 451 C GLN A 145 -15.219 -1.549 -2.473 1.00 0.00 C ATOM 452 O GLN A 145 -15.727 -1.490 -1.352 1.00 0.00 O ATOM 453 CB GLN A 145 -13.508 0.003 -3.454 1.00 0.00 C ATOM 454 CG GLN A 145 -13.038 0.035 -4.899 1.00 0.00 C ATOM 455 CD GLN A 145 -12.047 -1.067 -5.218 1.00 0.00 C ATOM 456 OE1 GLN A 145 -12.390 -2.056 -5.868 1.00 0.00 O ATOM 457 NE2 GLN A 145 -10.811 -0.904 -4.763 1.00 0.00 N ATOM 0 H GLN A 145 -15.139 1.714 -2.657 1.00 0.00 H new ATOM 0 HA GLN A 145 -15.431 -0.442 -4.295 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -13.280 0.960 -2.985 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -12.946 -0.759 -2.914 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -13.901 -0.056 -5.559 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -12.579 1.002 -5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -10.570 -0.069 -4.229 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -10.102 -1.614 -4.948 1.00 0.00 H new ATOM 466 N ASP A 146 -14.831 -2.694 -3.026 1.00 0.00 N ATOM 467 CA ASP A 146 -14.987 -3.968 -2.330 1.00 0.00 C ATOM 468 C ASP A 146 -14.271 -3.950 -0.982 1.00 0.00 C ATOM 469 O ASP A 146 -13.070 -3.681 -0.905 1.00 0.00 O ATOM 470 CB ASP A 146 -14.475 -5.132 -3.189 1.00 0.00 C ATOM 471 CG ASP A 146 -13.184 -4.817 -3.924 1.00 0.00 C ATOM 472 OD1 ASP A 146 -12.556 -5.763 -4.445 1.00 0.00 O ATOM 473 OD2 ASP A 146 -12.800 -3.630 -3.984 1.00 0.00 O ATOM 0 H ASP A 146 -14.408 -2.767 -3.951 1.00 0.00 H new ATOM 0 HA ASP A 146 -16.052 -4.115 -2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -14.319 -6.003 -2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -15.241 -5.402 -3.915 1.00 0.00 H new ATOM 478 N GLN A 147 -15.024 -4.236 0.077 1.00 0.00 N ATOM 479 CA GLN A 147 -14.483 -4.247 1.433 1.00 0.00 C ATOM 480 C GLN A 147 -13.246 -5.133 1.529 1.00 0.00 C ATOM 481 O GLN A 147 -12.289 -4.803 2.231 1.00 0.00 O ATOM 482 CB GLN A 147 -15.545 -4.731 2.422 1.00 0.00 C ATOM 483 CG GLN A 147 -15.069 -4.762 3.865 1.00 0.00 C ATOM 484 CD GLN A 147 -14.953 -3.376 4.471 1.00 0.00 C ATOM 485 OE1 GLN A 147 -15.956 -2.698 4.694 1.00 0.00 O ATOM 486 NE2 GLN A 147 -13.725 -2.948 4.738 1.00 0.00 N ATOM 0 H GLN A 147 -16.016 -4.464 0.021 1.00 0.00 H new ATOM 0 HA GLN A 147 -14.193 -3.227 1.684 1.00 0.00 H new ATOM 0 HB2 GLN A 147 -16.418 -4.082 2.351 1.00 0.00 H new ATOM 0 HB3 GLN A 147 -15.868 -5.731 2.134 1.00 0.00 H new ATOM 0 HG2 GLN A 147 -15.762 -5.358 4.459 1.00 0.00 H new ATOM 0 HG3 GLN A 147 -14.100 -5.258 3.913 1.00 0.00 H new ATOM 0 HE21 GLN A 147 -12.922 -3.544 4.537 1.00 0.00 H new ATOM 0 HE22 GLN A 147 -13.584 -2.023 5.145 1.00 0.00 H new ATOM 495 N ALA A 148 -13.263 -6.254 0.819 1.00 0.00 N ATOM 496 CA ALA A 148 -12.131 -7.169 0.830 1.00 0.00 C ATOM 497 C ALA A 148 -10.890 -6.488 0.273 1.00 0.00 C ATOM 498 O ALA A 148 -9.780 -6.705 0.756 1.00 0.00 O ATOM 499 CB ALA A 148 -12.454 -8.427 0.037 1.00 0.00 C ATOM 0 H ALA A 148 -14.043 -6.549 0.232 1.00 0.00 H new ATOM 0 HA ALA A 148 -11.930 -7.457 1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 148 -11.596 -9.099 0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 148 -13.316 -8.925 0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 148 -12.681 -8.158 -0.995 1.00 0.00 H new ATOM 505 N ASP A 149 -11.091 -5.650 -0.736 1.00 0.00 N ATOM 506 CA ASP A 149 -9.990 -4.922 -1.347 1.00 0.00 C ATOM 507 C ASP A 149 -9.477 -3.851 -0.394 1.00 0.00 C ATOM 508 O ASP A 149 -8.283 -3.553 -0.366 1.00 0.00 O ATOM 509 CB ASP A 149 -10.433 -4.281 -2.662 1.00 0.00 C ATOM 510 CG ASP A 149 -9.309 -3.534 -3.351 1.00 0.00 C ATOM 511 OD1 ASP A 149 -8.975 -3.891 -4.501 1.00 0.00 O ATOM 512 OD2 ASP A 149 -8.761 -2.591 -2.742 1.00 0.00 O ATOM 0 H ASP A 149 -12.005 -5.459 -1.147 1.00 0.00 H new ATOM 0 HA ASP A 149 -9.186 -5.627 -1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -10.814 -5.054 -3.329 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -11.256 -3.594 -2.468 1.00 0.00 H new ATOM 517 N ILE A 150 -10.386 -3.277 0.390 1.00 0.00 N ATOM 518 CA ILE A 150 -10.005 -2.242 1.345 1.00 0.00 C ATOM 519 C ILE A 150 -9.138 -2.832 2.448 1.00 0.00 C ATOM 520 O ILE A 150 -8.089 -2.283 2.788 1.00 0.00 O ATOM 521 CB ILE A 150 -11.240 -1.573 1.988 1.00 0.00 C ATOM 522 CG1 ILE A 150 -12.350 -1.385 0.949 1.00 0.00 C ATOM 523 CG2 ILE A 150 -10.853 -0.243 2.616 1.00 0.00 C ATOM 524 CD1 ILE A 150 -13.509 -0.537 1.428 1.00 0.00 C ATOM 0 H ILE A 150 -11.380 -3.508 0.383 1.00 0.00 H new ATOM 0 HA ILE A 150 -9.447 -1.487 0.792 1.00 0.00 H new ATOM 0 HB ILE A 150 -11.620 -2.224 2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -11.923 -0.927 0.056 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -12.728 -2.364 0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -11.733 0.217 3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -10.098 -0.409 3.385 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -10.450 0.418 1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -14.251 -0.453 0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -13.964 -1.003 2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -13.148 0.456 1.694 1.00 0.00 H new ATOM 536 N ASP A 151 -9.572 -3.964 2.997 1.00 0.00 N ATOM 537 CA ASP A 151 -8.822 -4.634 4.052 1.00 0.00 C ATOM 538 C ASP A 151 -7.466 -5.098 3.531 1.00 0.00 C ATOM 539 O ASP A 151 -6.461 -5.024 4.238 1.00 0.00 O ATOM 540 CB ASP A 151 -9.612 -5.826 4.596 1.00 0.00 C ATOM 541 CG ASP A 151 -9.190 -6.207 6.002 1.00 0.00 C ATOM 542 OD1 ASP A 151 -8.471 -7.218 6.152 1.00 0.00 O ATOM 543 OD2 ASP A 151 -9.576 -5.495 6.952 1.00 0.00 O ATOM 0 H ASP A 151 -10.437 -4.434 2.729 1.00 0.00 H new ATOM 0 HA ASP A 151 -8.660 -3.923 4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 151 -10.675 -5.586 4.591 1.00 0.00 H new ATOM 0 HB3 ASP A 151 -9.475 -6.681 3.934 1.00 0.00 H new ATOM 548 N SER A 152 -7.441 -5.568 2.283 1.00 0.00 N ATOM 549 CA SER A 152 -6.202 -6.028 1.673 1.00 0.00 C ATOM 550 C SER A 152 -5.237 -4.862 1.568 1.00 0.00 C ATOM 551 O SER A 152 -4.057 -4.973 1.905 1.00 0.00 O ATOM 552 CB SER A 152 -6.471 -6.618 0.287 1.00 0.00 C ATOM 553 OG SER A 152 -5.513 -7.609 -0.042 1.00 0.00 O ATOM 0 H SER A 152 -8.262 -5.638 1.681 1.00 0.00 H new ATOM 0 HA SER A 152 -5.765 -6.809 2.295 1.00 0.00 H new ATOM 0 HB2 SER A 152 -7.471 -7.052 0.261 1.00 0.00 H new ATOM 0 HB3 SER A 152 -6.449 -5.824 -0.460 1.00 0.00 H new ATOM 0 HG SER A 152 -5.709 -7.971 -0.931 1.00 0.00 H new ATOM 559 N LEU A 153 -5.762 -3.727 1.133 1.00 0.00 N ATOM 560 CA LEU A 153 -4.968 -2.523 1.021 1.00 0.00 C ATOM 561 C LEU A 153 -4.526 -2.090 2.408 1.00 0.00 C ATOM 562 O LEU A 153 -3.420 -1.587 2.597 1.00 0.00 O ATOM 563 CB LEU A 153 -5.778 -1.411 0.353 1.00 0.00 C ATOM 564 CG LEU A 153 -5.682 -1.376 -1.171 1.00 0.00 C ATOM 565 CD1 LEU A 153 -6.729 -0.441 -1.752 1.00 0.00 C ATOM 566 CD2 LEU A 153 -4.290 -0.949 -1.599 1.00 0.00 C ATOM 0 H LEU A 153 -6.737 -3.619 0.852 1.00 0.00 H new ATOM 0 HA LEU A 153 -4.092 -2.723 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 153 -6.825 -1.524 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 153 -5.444 -0.451 0.746 1.00 0.00 H new ATOM 0 HG LEU A 153 -5.872 -2.379 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 153 -6.644 -0.430 -2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 153 -7.723 -0.787 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 153 -6.572 0.566 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 153 -4.234 -0.928 -2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 153 -4.077 0.045 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 153 -3.557 -1.657 -1.212 1.00 0.00 H new ATOM 578 N GLN A 154 -5.411 -2.299 3.379 1.00 0.00 N ATOM 579 CA GLN A 154 -5.145 -1.947 4.762 1.00 0.00 C ATOM 580 C GLN A 154 -4.000 -2.769 5.335 1.00 0.00 C ATOM 581 O GLN A 154 -3.090 -2.230 5.965 1.00 0.00 O ATOM 582 CB GLN A 154 -6.407 -2.179 5.592 1.00 0.00 C ATOM 583 CG GLN A 154 -7.359 -0.998 5.590 1.00 0.00 C ATOM 584 CD GLN A 154 -7.282 -0.203 6.873 1.00 0.00 C ATOM 585 OE1 GLN A 154 -8.287 0.312 7.362 1.00 0.00 O ATOM 586 NE2 GLN A 154 -6.081 -0.099 7.426 1.00 0.00 N ATOM 0 H GLN A 154 -6.329 -2.716 3.225 1.00 0.00 H new ATOM 0 HA GLN A 154 -4.857 -0.896 4.799 1.00 0.00 H new ATOM 0 HB2 GLN A 154 -6.928 -3.056 5.208 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -6.120 -2.403 6.620 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -7.127 -0.348 4.747 1.00 0.00 H new ATOM 0 HG3 GLN A 154 -8.379 -1.355 5.446 1.00 0.00 H new ATOM 0 HE21 GLN A 154 -5.276 -0.543 6.984 1.00 0.00 H new ATOM 0 HE22 GLN A 154 -5.962 0.425 8.293 1.00 0.00 H new ATOM 595 N ARG A 155 -4.048 -4.075 5.111 1.00 0.00 N ATOM 596 CA ARG A 155 -3.008 -4.964 5.608 1.00 0.00 C ATOM 597 C ARG A 155 -1.673 -4.610 4.967 1.00 0.00 C ATOM 598 O ARG A 155 -0.622 -4.680 5.608 1.00 0.00 O ATOM 599 CB ARG A 155 -3.372 -6.433 5.346 1.00 0.00 C ATOM 600 CG ARG A 155 -2.997 -6.937 3.960 1.00 0.00 C ATOM 601 CD ARG A 155 -1.634 -7.611 3.960 1.00 0.00 C ATOM 602 NE ARG A 155 -1.211 -7.987 2.613 1.00 0.00 N ATOM 603 CZ ARG A 155 0.057 -8.198 2.264 1.00 0.00 C ATOM 604 NH1 ARG A 155 1.029 -8.077 3.159 1.00 0.00 N ATOM 605 NH2 ARG A 155 0.352 -8.531 1.015 1.00 0.00 N ATOM 0 H ARG A 155 -4.792 -4.540 4.591 1.00 0.00 H new ATOM 0 HA ARG A 155 -2.922 -4.833 6.687 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -2.877 -7.056 6.092 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -4.445 -6.559 5.487 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -3.752 -7.642 3.612 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -2.991 -6.103 3.258 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -0.896 -6.938 4.397 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -1.668 -8.499 4.591 1.00 0.00 H new ATOM 0 HE ARG A 155 -1.930 -8.094 1.897 1.00 0.00 H new ATOM 0 HH11 ARG A 155 0.807 -7.821 4.121 1.00 0.00 H new ATOM 0 HH12 ARG A 155 1.998 -8.240 2.885 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -0.392 -8.625 0.323 1.00 0.00 H new ATOM 0 HH22 ARG A 155 1.322 -8.693 0.746 1.00 0.00 H new ATOM 619 N GLN A 156 -1.726 -4.206 3.702 1.00 0.00 N ATOM 620 CA GLN A 156 -0.525 -3.818 2.980 1.00 0.00 C ATOM 621 C GLN A 156 0.053 -2.541 3.566 1.00 0.00 C ATOM 622 O GLN A 156 1.258 -2.434 3.776 1.00 0.00 O ATOM 623 CB GLN A 156 -0.837 -3.606 1.497 1.00 0.00 C ATOM 624 CG GLN A 156 -0.714 -4.860 0.650 1.00 0.00 C ATOM 625 CD GLN A 156 -1.223 -4.653 -0.764 1.00 0.00 C ATOM 626 OE1 GLN A 156 -0.625 -3.921 -1.551 1.00 0.00 O ATOM 627 NE2 GLN A 156 -2.334 -5.295 -1.093 1.00 0.00 N ATOM 0 H GLN A 156 -2.587 -4.140 3.159 1.00 0.00 H new ATOM 0 HA GLN A 156 0.206 -4.620 3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -1.850 -3.215 1.403 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -0.164 -2.846 1.101 1.00 0.00 H new ATOM 0 HG2 GLN A 156 0.330 -5.171 0.616 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -1.273 -5.669 1.120 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -2.799 -5.893 -0.410 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -2.724 -5.192 -2.030 1.00 0.00 H new ATOM 636 N ILE A 157 -0.821 -1.580 3.840 1.00 0.00 N ATOM 637 CA ILE A 157 -0.398 -0.310 4.412 1.00 0.00 C ATOM 638 C ILE A 157 0.254 -0.526 5.770 1.00 0.00 C ATOM 639 O ILE A 157 1.350 -0.031 6.032 1.00 0.00 O ATOM 640 CB ILE A 157 -1.582 0.673 4.559 1.00 0.00 C ATOM 641 CG1 ILE A 157 -2.180 0.990 3.187 1.00 0.00 C ATOM 642 CG2 ILE A 157 -1.133 1.955 5.250 1.00 0.00 C ATOM 643 CD1 ILE A 157 -3.659 1.309 3.230 1.00 0.00 C ATOM 0 H ILE A 157 -1.825 -1.657 3.675 1.00 0.00 H new ATOM 0 HA ILE A 157 0.327 0.127 3.726 1.00 0.00 H new ATOM 0 HB ILE A 157 -2.348 0.201 5.175 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -1.647 1.836 2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -2.019 0.139 2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -1.981 2.634 5.344 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -0.746 1.718 6.241 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -0.350 2.432 4.660 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -4.014 1.523 2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -4.204 0.455 3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -3.825 2.178 3.866 1.00 0.00 H new ATOM 655 N ASN A 158 -0.427 -1.273 6.629 1.00 0.00 N ATOM 656 CA ASN A 158 0.083 -1.562 7.964 1.00 0.00 C ATOM 657 C ASN A 158 1.458 -2.213 7.885 1.00 0.00 C ATOM 658 O ASN A 158 2.359 -1.900 8.671 1.00 0.00 O ATOM 659 CB ASN A 158 -0.886 -2.476 8.716 1.00 0.00 C ATOM 660 CG ASN A 158 -2.059 -1.716 9.303 1.00 0.00 C ATOM 661 OD1 ASN A 158 -1.947 -1.101 10.364 1.00 0.00 O ATOM 662 ND2 ASN A 158 -3.194 -1.756 8.614 1.00 0.00 N ATOM 0 H ASN A 158 -1.335 -1.691 6.425 1.00 0.00 H new ATOM 0 HA ASN A 158 0.175 -0.621 8.506 1.00 0.00 H new ATOM 0 HB2 ASN A 158 -1.257 -3.244 8.038 1.00 0.00 H new ATOM 0 HB3 ASN A 158 -0.351 -2.988 9.516 1.00 0.00 H new ATOM 0 HD21 ASN A 158 -4.018 -1.264 8.960 1.00 0.00 H new ATOM 0 HD22 ASN A 158 -3.241 -2.278 7.739 1.00 0.00 H new ATOM 669 N ARG A 159 1.620 -3.116 6.927 1.00 0.00 N ATOM 670 CA ARG A 159 2.889 -3.800 6.748 1.00 0.00 C ATOM 671 C ARG A 159 3.981 -2.810 6.361 1.00 0.00 C ATOM 672 O ARG A 159 5.113 -2.900 6.834 1.00 0.00 O ATOM 673 CB ARG A 159 2.762 -4.888 5.678 1.00 0.00 C ATOM 674 CG ARG A 159 3.320 -6.234 6.111 1.00 0.00 C ATOM 675 CD ARG A 159 2.318 -7.007 6.955 1.00 0.00 C ATOM 676 NE ARG A 159 2.439 -8.449 6.764 1.00 0.00 N ATOM 677 CZ ARG A 159 1.489 -9.322 7.091 1.00 0.00 C ATOM 678 NH1 ARG A 159 0.348 -8.904 7.625 1.00 0.00 N ATOM 679 NH2 ARG A 159 1.680 -10.618 6.884 1.00 0.00 N ATOM 0 H ARG A 159 0.892 -3.389 6.267 1.00 0.00 H new ATOM 0 HA ARG A 159 3.163 -4.267 7.694 1.00 0.00 H new ATOM 0 HB2 ARG A 159 1.711 -5.007 5.416 1.00 0.00 H new ATOM 0 HB3 ARG A 159 3.281 -4.562 4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 159 3.584 -6.820 5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 159 4.237 -6.083 6.680 1.00 0.00 H new ATOM 0 HD2 ARG A 159 2.469 -6.767 8.007 1.00 0.00 H new ATOM 0 HD3 ARG A 159 1.307 -6.691 6.698 1.00 0.00 H new ATOM 0 HE ARG A 159 3.302 -8.809 6.356 1.00 0.00 H new ATOM 0 HH11 ARG A 159 0.195 -7.909 7.787 1.00 0.00 H new ATOM 0 HH12 ARG A 159 -0.376 -9.578 7.873 1.00 0.00 H new ATOM 0 HH21 ARG A 159 2.555 -10.946 6.474 1.00 0.00 H new ATOM 0 HH22 ARG A 159 0.952 -11.287 7.135 1.00 0.00 H new ATOM 693 N VAL A 160 3.637 -1.872 5.488 1.00 0.00 N ATOM 694 CA VAL A 160 4.596 -0.873 5.031 1.00 0.00 C ATOM 695 C VAL A 160 4.968 0.115 6.124 1.00 0.00 C ATOM 696 O VAL A 160 6.126 0.510 6.246 1.00 0.00 O ATOM 697 CB VAL A 160 4.091 -0.079 3.811 1.00 0.00 C ATOM 698 CG1 VAL A 160 5.260 0.539 3.059 1.00 0.00 C ATOM 699 CG2 VAL A 160 3.262 -0.958 2.891 1.00 0.00 C ATOM 0 H VAL A 160 2.705 -1.781 5.083 1.00 0.00 H new ATOM 0 HA VAL A 160 5.478 -1.445 4.744 1.00 0.00 H new ATOM 0 HB VAL A 160 3.448 0.724 4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 160 4.886 1.096 2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 160 5.803 1.214 3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 160 5.930 -0.250 2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 160 2.919 -0.371 2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 160 3.871 -1.790 2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 160 2.401 -1.344 3.436 1.00 0.00 H new ATOM 709 N GLU A 161 3.991 0.524 6.914 1.00 0.00 N ATOM 710 CA GLU A 161 4.252 1.479 7.981 1.00 0.00 C ATOM 711 C GLU A 161 5.186 0.883 9.029 1.00 0.00 C ATOM 712 O GLU A 161 6.064 1.571 9.548 1.00 0.00 O ATOM 713 CB GLU A 161 2.946 1.946 8.631 1.00 0.00 C ATOM 714 CG GLU A 161 2.252 0.881 9.462 1.00 0.00 C ATOM 715 CD GLU A 161 1.117 1.441 10.298 1.00 0.00 C ATOM 716 OE1 GLU A 161 0.141 1.950 9.709 1.00 0.00 O ATOM 717 OE2 GLU A 161 1.206 1.369 11.542 1.00 0.00 O ATOM 0 H GLU A 161 3.021 0.216 6.841 1.00 0.00 H new ATOM 0 HA GLU A 161 4.742 2.346 7.539 1.00 0.00 H new ATOM 0 HB2 GLU A 161 3.156 2.807 9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 161 2.265 2.284 7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 161 1.864 0.106 8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 161 2.981 0.405 10.118 1.00 0.00 H new ATOM 724 N LYS A 162 4.985 -0.392 9.355 1.00 0.00 N ATOM 725 CA LYS A 162 5.812 -1.045 10.364 1.00 0.00 C ATOM 726 C LYS A 162 7.103 -1.625 9.782 1.00 0.00 C ATOM 727 O LYS A 162 8.156 -1.556 10.418 1.00 0.00 O ATOM 728 CB LYS A 162 5.016 -2.152 11.058 1.00 0.00 C ATOM 729 CG LYS A 162 5.680 -2.681 12.319 1.00 0.00 C ATOM 730 CD LYS A 162 4.656 -3.213 13.308 1.00 0.00 C ATOM 731 CE LYS A 162 3.856 -4.364 12.718 1.00 0.00 C ATOM 732 NZ LYS A 162 2.542 -4.533 13.396 1.00 0.00 N ATOM 0 H LYS A 162 4.266 -0.986 8.941 1.00 0.00 H new ATOM 0 HA LYS A 162 6.096 -0.280 11.086 1.00 0.00 H new ATOM 0 HB2 LYS A 162 4.026 -1.772 11.311 1.00 0.00 H new ATOM 0 HB3 LYS A 162 4.872 -2.977 10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 162 6.380 -3.474 12.057 1.00 0.00 H new ATOM 0 HG3 LYS A 162 6.260 -1.885 12.787 1.00 0.00 H new ATOM 0 HD2 LYS A 162 5.163 -3.547 14.213 1.00 0.00 H new ATOM 0 HD3 LYS A 162 3.979 -2.410 13.600 1.00 0.00 H new ATOM 0 HE2 LYS A 162 3.695 -4.187 11.655 1.00 0.00 H new ATOM 0 HE3 LYS A 162 4.430 -5.287 12.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 2.028 -5.327 12.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 2.695 -4.728 14.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 1.983 -3.662 13.292 1.00 0.00 H new ATOM 746 N PHE A 163 7.022 -2.230 8.601 1.00 0.00 N ATOM 747 CA PHE A 163 8.203 -2.850 7.996 1.00 0.00 C ATOM 748 C PHE A 163 8.539 -2.275 6.623 1.00 0.00 C ATOM 749 O PHE A 163 9.665 -2.422 6.145 1.00 0.00 O ATOM 750 CB PHE A 163 7.999 -4.362 7.888 1.00 0.00 C ATOM 751 CG PHE A 163 7.421 -4.978 9.131 1.00 0.00 C ATOM 752 CD1 PHE A 163 8.234 -5.289 10.209 1.00 0.00 C ATOM 753 CD2 PHE A 163 6.063 -5.242 9.221 1.00 0.00 C ATOM 754 CE1 PHE A 163 7.704 -5.854 11.354 1.00 0.00 C ATOM 755 CE2 PHE A 163 5.528 -5.807 10.363 1.00 0.00 C ATOM 756 CZ PHE A 163 6.350 -6.112 11.431 1.00 0.00 C ATOM 0 H PHE A 163 6.168 -2.306 8.049 1.00 0.00 H new ATOM 0 HA PHE A 163 9.047 -2.629 8.650 1.00 0.00 H new ATOM 0 HB2 PHE A 163 7.339 -4.573 7.047 1.00 0.00 H new ATOM 0 HB3 PHE A 163 8.956 -4.835 7.668 1.00 0.00 H new ATOM 0 HD1 PHE A 163 9.294 -5.088 10.154 1.00 0.00 H new ATOM 0 HD2 PHE A 163 5.416 -5.004 8.390 1.00 0.00 H new ATOM 0 HE1 PHE A 163 8.348 -6.093 12.187 1.00 0.00 H new ATOM 0 HE2 PHE A 163 4.469 -6.010 10.421 1.00 0.00 H new ATOM 0 HZ PHE A 163 5.934 -6.552 12.325 1.00 0.00 H new ATOM 766 N GLY A 164 7.574 -1.629 5.988 1.00 0.00 N ATOM 767 CA GLY A 164 7.818 -1.058 4.675 1.00 0.00 C ATOM 768 C GLY A 164 7.404 -1.989 3.554 1.00 0.00 C ATOM 769 O GLY A 164 6.753 -3.005 3.789 1.00 0.00 O ATOM 0 H GLY A 164 6.632 -1.489 6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 164 7.273 -0.119 4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 164 8.878 -0.823 4.575 1.00 0.00 H new ATOM 773 N VAL A 165 7.778 -1.638 2.330 1.00 0.00 N ATOM 774 CA VAL A 165 7.436 -2.447 1.170 1.00 0.00 C ATOM 775 C VAL A 165 8.396 -3.624 1.029 1.00 0.00 C ATOM 776 O VAL A 165 9.612 -3.462 1.135 1.00 0.00 O ATOM 777 CB VAL A 165 7.463 -1.606 -0.121 1.00 0.00 C ATOM 778 CG1 VAL A 165 6.884 -2.387 -1.291 1.00 0.00 C ATOM 779 CG2 VAL A 165 6.712 -0.295 0.079 1.00 0.00 C ATOM 0 H VAL A 165 8.318 -0.799 2.116 1.00 0.00 H new ATOM 0 HA VAL A 165 6.425 -2.825 1.322 1.00 0.00 H new ATOM 0 HB VAL A 165 8.502 -1.374 -0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 165 6.914 -1.771 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 165 7.471 -3.292 -1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 165 5.851 -2.658 -1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 165 6.742 0.286 -0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 165 5.675 -0.506 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 165 7.181 0.274 0.881 1.00 0.00 H new ATOM 789 N ASP A 166 7.842 -4.809 0.795 1.00 0.00 N ATOM 790 CA ASP A 166 8.650 -6.014 0.645 1.00 0.00 C ATOM 791 C ASP A 166 9.043 -6.227 -0.812 1.00 0.00 C ATOM 792 O ASP A 166 8.186 -6.315 -1.690 1.00 0.00 O ATOM 793 CB ASP A 166 7.885 -7.235 1.165 1.00 0.00 C ATOM 794 CG ASP A 166 8.372 -7.683 2.529 1.00 0.00 C ATOM 795 OD1 ASP A 166 7.524 -8.036 3.375 1.00 0.00 O ATOM 796 OD2 ASP A 166 9.601 -7.683 2.750 1.00 0.00 O ATOM 0 H ASP A 166 6.837 -4.961 0.705 1.00 0.00 H new ATOM 0 HA ASP A 166 9.559 -5.887 1.232 1.00 0.00 H new ATOM 0 HB2 ASP A 166 6.823 -6.998 1.221 1.00 0.00 H new ATOM 0 HB3 ASP A 166 7.991 -8.056 0.456 1.00 0.00 H new ATOM 801 N LEU A 167 10.345 -6.312 -1.063 1.00 0.00 N ATOM 802 CA LEU A 167 10.852 -6.513 -2.415 1.00 0.00 C ATOM 803 C LEU A 167 10.271 -7.778 -3.043 1.00 0.00 C ATOM 804 O LEU A 167 10.255 -7.922 -4.266 1.00 0.00 O ATOM 805 CB LEU A 167 12.379 -6.593 -2.401 1.00 0.00 C ATOM 806 CG LEU A 167 13.083 -5.417 -1.720 1.00 0.00 C ATOM 807 CD1 LEU A 167 14.402 -5.865 -1.110 1.00 0.00 C ATOM 808 CD2 LEU A 167 13.308 -4.286 -2.713 1.00 0.00 C ATOM 0 H LEU A 167 11.069 -6.245 -0.347 1.00 0.00 H new ATOM 0 HA LEU A 167 10.541 -5.660 -3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 167 12.675 -7.514 -1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 167 12.733 -6.663 -3.429 1.00 0.00 H new ATOM 0 HG LEU A 167 12.443 -5.049 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 167 14.888 -5.016 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 167 14.215 -6.642 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 167 15.050 -6.259 -1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 167 13.810 -3.457 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 167 13.928 -4.642 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 167 12.348 -3.947 -3.102 1.00 0.00 H new ATOM 820 N ASN A 168 9.793 -8.692 -2.203 1.00 0.00 N ATOM 821 CA ASN A 168 9.213 -9.941 -2.686 1.00 0.00 C ATOM 822 C ASN A 168 7.742 -10.051 -2.291 1.00 0.00 C ATOM 823 O ASN A 168 7.301 -11.082 -1.780 1.00 0.00 O ATOM 824 CB ASN A 168 9.993 -11.136 -2.132 1.00 0.00 C ATOM 825 CG ASN A 168 9.951 -11.202 -0.618 1.00 0.00 C ATOM 826 OD1 ASN A 168 10.452 -10.311 0.068 1.00 0.00 O ATOM 827 ND2 ASN A 168 9.351 -12.263 -0.089 1.00 0.00 N ATOM 0 H ASN A 168 9.796 -8.592 -1.188 1.00 0.00 H new ATOM 0 HA ASN A 168 9.277 -9.945 -3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 168 9.582 -12.057 -2.545 1.00 0.00 H new ATOM 0 HB3 ASN A 168 11.030 -11.074 -2.462 1.00 0.00 H new ATOM 0 HD21 ASN A 168 9.292 -12.363 0.924 1.00 0.00 H new ATOM 0 HD22 ASN A 168 8.949 -12.977 -0.696 1.00 0.00 H new ATOM 834 N SER A 169 6.982 -8.987 -2.537 1.00 0.00 N ATOM 835 CA SER A 169 5.558 -8.969 -2.214 1.00 0.00 C ATOM 836 C SER A 169 4.740 -8.544 -3.429 1.00 0.00 C ATOM 837 O SER A 169 5.268 -7.927 -4.356 1.00 0.00 O ATOM 838 CB SER A 169 5.289 -8.018 -1.046 1.00 0.00 C ATOM 839 OG SER A 169 5.205 -6.674 -1.490 1.00 0.00 O ATOM 0 H SER A 169 7.329 -8.126 -2.959 1.00 0.00 H new ATOM 0 HA SER A 169 5.260 -9.977 -1.925 1.00 0.00 H new ATOM 0 HB2 SER A 169 4.360 -8.299 -0.551 1.00 0.00 H new ATOM 0 HB3 SER A 169 6.085 -8.111 -0.307 1.00 0.00 H new ATOM 0 HG SER A 169 6.107 -6.324 -1.646 1.00 0.00 H new ATOM 845 N LYS A 170 3.449 -8.864 -3.421 1.00 0.00 N ATOM 846 CA LYS A 170 2.568 -8.503 -4.524 1.00 0.00 C ATOM 847 C LYS A 170 2.462 -6.987 -4.661 1.00 0.00 C ATOM 848 O LYS A 170 2.384 -6.455 -5.768 1.00 0.00 O ATOM 849 CB LYS A 170 1.177 -9.104 -4.306 1.00 0.00 C ATOM 850 CG LYS A 170 0.598 -8.808 -2.931 1.00 0.00 C ATOM 851 CD LYS A 170 -0.680 -7.986 -3.015 1.00 0.00 C ATOM 852 CE LYS A 170 -0.466 -6.678 -3.764 1.00 0.00 C ATOM 853 NZ LYS A 170 -1.750 -5.970 -4.027 1.00 0.00 N ATOM 0 H LYS A 170 2.992 -9.372 -2.664 1.00 0.00 H new ATOM 0 HA LYS A 170 2.992 -8.904 -5.444 1.00 0.00 H new ATOM 0 HB2 LYS A 170 0.500 -8.718 -5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 170 1.230 -10.184 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 170 0.393 -9.746 -2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 170 1.336 -8.271 -2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -1.454 -8.568 -3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -1.041 -7.773 -2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 170 0.192 -6.031 -3.184 1.00 0.00 H new ATOM 0 HE3 LYS A 170 0.037 -6.880 -4.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -1.930 -5.946 -5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -2.527 -6.472 -3.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -1.691 -4.998 -3.663 1.00 0.00 H new ATOM 867 N LEU A 171 2.452 -6.301 -3.525 1.00 0.00 N ATOM 868 CA LEU A 171 2.346 -4.846 -3.502 1.00 0.00 C ATOM 869 C LEU A 171 3.568 -4.188 -4.141 1.00 0.00 C ATOM 870 O LEU A 171 3.432 -3.314 -4.996 1.00 0.00 O ATOM 871 CB LEU A 171 2.158 -4.364 -2.054 1.00 0.00 C ATOM 872 CG LEU A 171 1.864 -2.867 -1.862 1.00 0.00 C ATOM 873 CD1 LEU A 171 3.129 -2.112 -1.482 1.00 0.00 C ATOM 874 CD2 LEU A 171 1.230 -2.262 -3.109 1.00 0.00 C ATOM 0 H LEU A 171 2.516 -6.731 -2.602 1.00 0.00 H new ATOM 0 HA LEU A 171 1.477 -4.553 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 171 1.341 -4.932 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 171 3.060 -4.609 -1.493 1.00 0.00 H new ATOM 0 HG LEU A 171 1.149 -2.772 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 171 2.897 -1.055 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 171 3.527 -2.514 -0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 171 3.871 -2.225 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 171 1.035 -1.203 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 171 1.909 -2.376 -3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 171 0.292 -2.774 -3.325 1.00 0.00 H new ATOM 886 N ALA A 172 4.762 -4.609 -3.729 1.00 0.00 N ATOM 887 CA ALA A 172 5.996 -4.049 -4.273 1.00 0.00 C ATOM 888 C ALA A 172 6.130 -4.327 -5.766 1.00 0.00 C ATOM 889 O ALA A 172 6.550 -3.457 -6.528 1.00 0.00 O ATOM 890 CB ALA A 172 7.199 -4.600 -3.525 1.00 0.00 C ATOM 0 H ALA A 172 4.901 -5.333 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 172 5.956 -2.968 -4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 172 8.112 -4.174 -3.941 1.00 0.00 H new ATOM 0 HB2 ALA A 172 7.123 -4.337 -2.470 1.00 0.00 H new ATOM 0 HB3 ALA A 172 7.225 -5.685 -3.627 1.00 0.00 H new ATOM 896 N GLU A 173 5.753 -5.532 -6.190 1.00 0.00 N ATOM 897 CA GLU A 173 5.823 -5.881 -7.604 1.00 0.00 C ATOM 898 C GLU A 173 4.831 -5.034 -8.385 1.00 0.00 C ATOM 899 O GLU A 173 5.123 -4.564 -9.485 1.00 0.00 O ATOM 900 CB GLU A 173 5.545 -7.368 -7.821 1.00 0.00 C ATOM 901 CG GLU A 173 4.173 -7.806 -7.350 1.00 0.00 C ATOM 902 CD GLU A 173 3.847 -9.233 -7.747 1.00 0.00 C ATOM 903 OE1 GLU A 173 3.119 -9.419 -8.744 1.00 0.00 O ATOM 904 OE2 GLU A 173 4.320 -10.162 -7.061 1.00 0.00 O ATOM 0 H GLU A 173 5.401 -6.272 -5.583 1.00 0.00 H new ATOM 0 HA GLU A 173 6.832 -5.679 -7.963 1.00 0.00 H new ATOM 0 HB2 GLU A 173 5.645 -7.596 -8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 173 6.303 -7.951 -7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 173 4.119 -7.713 -6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 173 3.420 -7.136 -7.765 1.00 0.00 H new ATOM 911 N GLU A 174 3.663 -4.817 -7.785 1.00 0.00 N ATOM 912 CA GLU A 174 2.635 -3.993 -8.403 1.00 0.00 C ATOM 913 C GLU A 174 3.165 -2.572 -8.561 1.00 0.00 C ATOM 914 O GLU A 174 2.846 -1.873 -9.523 1.00 0.00 O ATOM 915 CB GLU A 174 1.362 -3.993 -7.553 1.00 0.00 C ATOM 916 CG GLU A 174 0.295 -4.951 -8.058 1.00 0.00 C ATOM 917 CD GLU A 174 -1.046 -4.737 -7.383 1.00 0.00 C ATOM 918 OE1 GLU A 174 -1.615 -5.720 -6.868 1.00 0.00 O ATOM 919 OE2 GLU A 174 -1.527 -3.583 -7.373 1.00 0.00 O ATOM 0 H GLU A 174 3.408 -5.200 -6.875 1.00 0.00 H new ATOM 0 HA GLU A 174 2.386 -4.402 -9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 174 1.620 -4.257 -6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 174 0.951 -2.984 -7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 174 0.180 -4.826 -9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 174 0.623 -5.977 -7.889 1.00 0.00 H new ATOM 926 N LEU A 175 3.994 -2.169 -7.602 1.00 0.00 N ATOM 927 CA LEU A 175 4.607 -0.850 -7.603 1.00 0.00 C ATOM 928 C LEU A 175 5.888 -0.838 -8.438 1.00 0.00 C ATOM 929 O LEU A 175 6.390 0.225 -8.805 1.00 0.00 O ATOM 930 CB LEU A 175 4.910 -0.428 -6.164 1.00 0.00 C ATOM 931 CG LEU A 175 3.964 0.623 -5.594 1.00 0.00 C ATOM 932 CD1 LEU A 175 4.026 0.630 -4.074 1.00 0.00 C ATOM 933 CD2 LEU A 175 4.302 1.998 -6.154 1.00 0.00 C ATOM 0 H LEU A 175 4.257 -2.749 -6.805 1.00 0.00 H new ATOM 0 HA LEU A 175 3.910 -0.143 -8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 175 4.876 -1.311 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 175 5.928 -0.042 -6.120 1.00 0.00 H new ATOM 0 HG LEU A 175 2.946 0.371 -5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 175 3.344 1.386 -3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 175 3.736 -0.349 -3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 175 5.042 0.858 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 175 3.618 2.738 -5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 175 5.326 2.258 -5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 175 4.204 1.983 -7.239 1.00 0.00 H new