USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 512 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 33 GLN : amide:sc= 0.455 K(o=0.46,f=-0.26) USER MOD Set 1.2: A 37 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0162) USER MOD Set 2.1: A 15 GLN : amide:sc= 0.559 K(o=1,f=-4.7) USER MOD Set 2.2: A 19 GLN : amide:sc= 0.455 K(o=1,f=-2.7!) USER MOD Set 3.1: A 9 LYS NZ :NH3+ -132:sc= 0.549 (180deg=0.0655) USER MOD Set 3.2: A 10 GLN : amide:sc= -0.555 K(o=-0.0067,f=-2.4) USER MOD Set 4.1: A 1 MET N :NH3+ -106:sc= 0.996 (180deg=-1.4!) USER MOD Set 4.2: A 3 GLN : amide:sc= 1.2 K(o=3.9,f=1.9) USER MOD Set 4.3: A 8 GLN : amide:sc= 0.86 K(o=3.9,f=2.6) USER MOD Set 4.4: A 12 CYS SG : rot 78:sc= 0.856 USER MOD Single : A 1 MET CE :methyl 169:sc=-0.00208 (180deg=-0.16) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 1.18 K(o=1.2,f=-0.094) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 174:sc=-0.00709 (180deg=-0.0919) USER MOD Single : A 26 SER OG : rot 180:sc= 0.042 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 1.51 K(o=1.5,f=-0.12) USER MOD Single : A 41 GLN : amide:sc= 0.891 K(o=0.89,f=-0.043) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -157:sc= 0.534 (180deg=0.288) USER MOD Single : A 47 SER OG : rot 101:sc= 1.12 USER MOD Single : A 51 SER OG : rot 98:sc= 1.24 USER MOD Single : A 55 LYS NZ :NH3+ -144:sc= 0.716 (180deg=0.177) USER MOD Single : A 60 ASN : amide:sc= 0.892 K(o=0.89,f=-3.7!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -56:sc= 1.16 USER MOD Single : A 67 SER OG : rot 65:sc= 2.12 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.733 2.123 0.992 1.00 0.00 N ATOM 2 CA MET A 1 13.107 3.197 1.903 1.00 0.00 C ATOM 3 C MET A 1 12.215 4.428 1.654 1.00 0.00 C ATOM 4 O MET A 1 11.751 4.615 0.525 1.00 0.00 O ATOM 5 CB MET A 1 14.593 3.557 1.709 1.00 0.00 C ATOM 6 CG MET A 1 15.573 2.438 2.095 1.00 0.00 C ATOM 7 SD MET A 1 15.666 0.991 0.997 1.00 0.00 S ATOM 8 CE MET A 1 16.315 1.743 -0.522 1.00 0.00 C ATOM 0 H1 MET A 1 12.215 1.388 1.515 1.00 0.00 H new ATOM 0 H2 MET A 1 12.126 2.503 0.238 1.00 0.00 H new ATOM 0 H3 MET A 1 13.590 1.710 0.572 1.00 0.00 H new ATOM 0 HA MET A 1 12.962 2.864 2.931 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.757 3.822 0.665 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.820 4.443 2.302 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.570 2.873 2.164 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.308 2.087 3.092 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.609 0.959 -1.219 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.544 2.364 -0.979 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.182 2.359 -0.282 1.00 0.00 H new ATOM 20 N PRO A 2 11.985 5.298 2.661 1.00 0.00 N ATOM 21 CA PRO A 2 11.057 6.426 2.562 1.00 0.00 C ATOM 22 C PRO A 2 11.672 7.610 1.785 1.00 0.00 C ATOM 23 O PRO A 2 11.858 8.707 2.312 1.00 0.00 O ATOM 24 CB PRO A 2 10.690 6.756 4.015 1.00 0.00 C ATOM 25 CG PRO A 2 11.976 6.424 4.769 1.00 0.00 C ATOM 26 CD PRO A 2 12.494 5.194 4.024 1.00 0.00 C ATOM 0 HA PRO A 2 10.163 6.188 1.986 1.00 0.00 H new ATOM 0 HB2 PRO A 2 10.409 7.802 4.134 1.00 0.00 H new ATOM 0 HB3 PRO A 2 9.849 6.158 4.366 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.689 7.248 4.736 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.785 6.210 5.821 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.584 5.165 4.031 1.00 0.00 H new ATOM 0 HD3 PRO A 2 12.148 4.277 4.500 1.00 0.00 H new ATOM 34 N GLN A 3 12.024 7.370 0.521 1.00 0.00 N ATOM 35 CA GLN A 3 12.804 8.233 -0.360 1.00 0.00 C ATOM 36 C GLN A 3 12.001 9.484 -0.746 1.00 0.00 C ATOM 37 O GLN A 3 11.343 9.508 -1.786 1.00 0.00 O ATOM 38 CB GLN A 3 13.237 7.400 -1.582 1.00 0.00 C ATOM 39 CG GLN A 3 14.252 6.303 -1.205 1.00 0.00 C ATOM 40 CD GLN A 3 14.146 5.079 -2.113 1.00 0.00 C ATOM 41 OE1 GLN A 3 14.860 4.959 -3.099 1.00 0.00 O ATOM 42 NE2 GLN A 3 13.266 4.138 -1.791 1.00 0.00 N ATOM 0 H GLN A 3 11.751 6.505 0.055 1.00 0.00 H new ATOM 0 HA GLN A 3 13.697 8.598 0.147 1.00 0.00 H new ATOM 0 HB2 GLN A 3 12.359 6.941 -2.037 1.00 0.00 H new ATOM 0 HB3 GLN A 3 13.677 8.058 -2.332 1.00 0.00 H new ATOM 0 HG2 GLN A 3 15.262 6.710 -1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 3 14.089 6.001 -0.171 1.00 0.00 H new ATOM 0 HE21 GLN A 3 12.677 4.251 -0.966 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.179 3.302 -2.369 1.00 0.00 H new ATOM 51 N LYS A 4 12.014 10.503 0.131 1.00 0.00 N ATOM 52 CA LYS A 4 11.188 11.721 0.126 1.00 0.00 C ATOM 53 C LYS A 4 9.683 11.451 -0.029 1.00 0.00 C ATOM 54 O LYS A 4 8.880 12.347 -0.293 1.00 0.00 O ATOM 55 CB LYS A 4 11.747 12.701 -0.912 1.00 0.00 C ATOM 56 CG LYS A 4 13.148 13.223 -0.559 1.00 0.00 C ATOM 57 CD LYS A 4 13.654 14.184 -1.642 1.00 0.00 C ATOM 58 CE LYS A 4 15.059 14.681 -1.293 1.00 0.00 C ATOM 59 NZ LYS A 4 15.579 15.593 -2.327 1.00 0.00 N ATOM 0 H LYS A 4 12.654 10.494 0.925 1.00 0.00 H new ATOM 0 HA LYS A 4 11.256 12.184 1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.784 12.209 -1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.065 13.546 -1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.120 13.733 0.404 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.839 12.386 -0.456 1.00 0.00 H new ATOM 0 HD2 LYS A 4 13.668 13.680 -2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.973 15.030 -1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 4 15.037 15.194 -0.331 1.00 0.00 H new ATOM 0 HE3 LYS A 4 15.731 13.830 -1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.532 15.912 -2.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 15.622 15.095 -3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.950 16.417 -2.412 1.00 0.00 H new ATOM 73 N ASP A 5 9.307 10.204 0.215 1.00 0.00 N ATOM 74 CA ASP A 5 8.047 9.553 -0.031 1.00 0.00 C ATOM 75 C ASP A 5 7.882 8.585 1.143 1.00 0.00 C ATOM 76 O ASP A 5 8.495 7.520 1.110 1.00 0.00 O ATOM 77 CB ASP A 5 8.102 8.863 -1.407 1.00 0.00 C ATOM 78 CG ASP A 5 6.818 8.123 -1.767 1.00 0.00 C ATOM 79 OD1 ASP A 5 6.157 7.564 -0.860 1.00 0.00 O ATOM 80 OD2 ASP A 5 6.460 8.132 -2.963 1.00 0.00 O ATOM 0 H ASP A 5 9.966 9.553 0.643 1.00 0.00 H new ATOM 0 HA ASP A 5 7.189 10.224 -0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.308 9.612 -2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 5 8.934 8.159 -1.419 1.00 0.00 H new ATOM 85 N PRO A 6 7.124 8.935 2.199 1.00 0.00 N ATOM 86 CA PRO A 6 7.074 8.180 3.458 1.00 0.00 C ATOM 87 C PRO A 6 6.684 6.716 3.253 1.00 0.00 C ATOM 88 O PRO A 6 7.069 5.822 4.008 1.00 0.00 O ATOM 89 CB PRO A 6 6.002 8.869 4.306 1.00 0.00 C ATOM 90 CG PRO A 6 5.877 10.264 3.703 1.00 0.00 C ATOM 91 CD PRO A 6 6.148 10.007 2.229 1.00 0.00 C ATOM 0 HA PRO A 6 8.059 8.173 3.925 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.055 8.331 4.262 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.294 8.915 5.355 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.887 10.690 3.866 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.598 10.959 4.134 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.235 9.722 1.705 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.531 10.901 1.738 1.00 0.00 H new ATOM 99 N CYS A 7 5.884 6.498 2.209 1.00 0.00 N ATOM 100 CA CYS A 7 5.236 5.261 1.902 1.00 0.00 C ATOM 101 C CYS A 7 6.030 4.407 0.927 1.00 0.00 C ATOM 102 O CYS A 7 5.713 3.229 0.773 1.00 0.00 O ATOM 103 CB CYS A 7 3.845 5.600 1.379 1.00 0.00 C ATOM 104 SG CYS A 7 2.706 6.210 2.660 1.00 0.00 S ATOM 0 H CYS A 7 5.671 7.229 1.531 1.00 0.00 H new ATOM 0 HA CYS A 7 5.163 4.648 2.800 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.935 6.354 0.597 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.415 4.712 0.917 1.00 0.00 H new ATOM 106 N GLN A 8 7.080 4.954 0.304 1.00 0.00 N ATOM 107 CA GLN A 8 7.897 4.223 -0.640 1.00 0.00 C ATOM 108 C GLN A 8 8.619 3.051 0.046 1.00 0.00 C ATOM 109 O GLN A 8 8.885 2.033 -0.599 1.00 0.00 O ATOM 110 CB GLN A 8 8.799 5.241 -1.345 1.00 0.00 C ATOM 111 CG GLN A 8 9.877 4.630 -2.223 1.00 0.00 C ATOM 112 CD GLN A 8 9.335 3.904 -3.452 1.00 0.00 C ATOM 113 OE1 GLN A 8 9.145 4.496 -4.505 1.00 0.00 O ATOM 114 NE2 GLN A 8 9.065 2.610 -3.339 1.00 0.00 N ATOM 0 H GLN A 8 7.378 5.919 0.448 1.00 0.00 H new ATOM 0 HA GLN A 8 7.302 3.731 -1.410 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.178 5.895 -1.957 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.275 5.868 -0.591 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.557 5.418 -2.549 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.463 3.929 -1.628 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.229 2.130 -2.454 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.694 2.095 -4.137 1.00 0.00 H new ATOM 123 N LYS A 9 8.844 3.145 1.362 1.00 0.00 N ATOM 124 CA LYS A 9 9.301 2.049 2.203 1.00 0.00 C ATOM 125 C LYS A 9 8.296 0.897 2.154 1.00 0.00 C ATOM 126 O LYS A 9 8.639 -0.232 1.802 1.00 0.00 O ATOM 127 CB LYS A 9 9.477 2.575 3.633 1.00 0.00 C ATOM 128 CG LYS A 9 10.030 1.500 4.581 1.00 0.00 C ATOM 129 CD LYS A 9 10.198 2.057 6.002 1.00 0.00 C ATOM 130 CE LYS A 9 10.350 0.940 7.041 1.00 0.00 C ATOM 131 NZ LYS A 9 9.102 0.169 7.198 1.00 0.00 N ATOM 0 H LYS A 9 8.707 4.013 1.879 1.00 0.00 H new ATOM 0 HA LYS A 9 10.256 1.666 1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.152 3.431 3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.517 2.930 4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.356 0.644 4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.990 1.142 4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.073 2.706 6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.335 2.673 6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.156 0.271 6.741 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.635 1.372 8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.882 0.067 8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.323 0.668 6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.220 -0.773 6.773 1.00 0.00 H new ATOM 145 N GLN A 10 7.041 1.198 2.486 1.00 0.00 N ATOM 146 CA GLN A 10 5.975 0.211 2.530 1.00 0.00 C ATOM 147 C GLN A 10 5.704 -0.335 1.121 1.00 0.00 C ATOM 148 O GLN A 10 5.426 -1.521 0.981 1.00 0.00 O ATOM 149 CB GLN A 10 4.717 0.788 3.202 1.00 0.00 C ATOM 150 CG GLN A 10 4.853 0.960 4.729 1.00 0.00 C ATOM 151 CD GLN A 10 5.898 1.994 5.157 1.00 0.00 C ATOM 152 OE1 GLN A 10 6.879 1.677 5.813 1.00 0.00 O ATOM 153 NE2 GLN A 10 5.720 3.250 4.764 1.00 0.00 N ATOM 0 H GLN A 10 6.739 2.140 2.733 1.00 0.00 H new ATOM 0 HA GLN A 10 6.289 -0.631 3.146 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.489 1.756 2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.871 0.133 2.993 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.885 1.249 5.138 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.110 -0.003 5.170 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.897 3.501 4.217 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.407 3.963 5.009 1.00 0.00 H new ATOM 162 N ALA A 11 5.849 0.486 0.073 1.00 0.00 N ATOM 163 CA ALA A 11 5.772 0.043 -1.314 1.00 0.00 C ATOM 164 C ALA A 11 6.872 -0.962 -1.659 1.00 0.00 C ATOM 165 O ALA A 11 6.596 -1.947 -2.343 1.00 0.00 O ATOM 166 CB ALA A 11 5.822 1.237 -2.254 1.00 0.00 C ATOM 0 H ALA A 11 6.025 1.486 0.171 1.00 0.00 H new ATOM 0 HA ALA A 11 4.818 -0.469 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.764 0.890 -3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.982 1.900 -2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.756 1.778 -2.105 1.00 0.00 H new ATOM 172 N CYS A 12 8.100 -0.754 -1.171 1.00 0.00 N ATOM 173 CA CYS A 12 9.148 -1.759 -1.293 1.00 0.00 C ATOM 174 C CYS A 12 8.709 -3.059 -0.614 1.00 0.00 C ATOM 175 O CYS A 12 8.854 -4.138 -1.190 1.00 0.00 O ATOM 176 CB CYS A 12 10.477 -1.278 -0.697 1.00 0.00 C ATOM 177 SG CYS A 12 11.124 0.162 -1.587 1.00 0.00 S ATOM 0 H CYS A 12 8.386 0.099 -0.691 1.00 0.00 H new ATOM 0 HA CYS A 12 9.310 -1.938 -2.356 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.335 -1.024 0.353 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.207 -2.087 -0.733 1.00 0.00 H new ATOM 0 HG CYS A 12 10.474 1.226 -1.221 1.00 0.00 H new ATOM 182 N GLU A 13 8.138 -2.960 0.593 1.00 0.00 N ATOM 183 CA GLU A 13 7.674 -4.121 1.341 1.00 0.00 C ATOM 184 C GLU A 13 6.604 -4.901 0.582 1.00 0.00 C ATOM 185 O GLU A 13 6.542 -6.112 0.766 1.00 0.00 O ATOM 186 CB GLU A 13 7.146 -3.744 2.736 1.00 0.00 C ATOM 187 CG GLU A 13 8.270 -3.404 3.703 1.00 0.00 C ATOM 188 CD GLU A 13 7.740 -2.799 5.001 1.00 0.00 C ATOM 189 OE1 GLU A 13 7.356 -3.594 5.885 1.00 0.00 O ATOM 190 OE2 GLU A 13 7.744 -1.551 5.089 1.00 0.00 O ATOM 0 H GLU A 13 7.988 -2.072 1.072 1.00 0.00 H new ATOM 0 HA GLU A 13 8.548 -4.760 1.466 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.473 -2.891 2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.562 -4.572 3.137 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.840 -4.305 3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.957 -2.703 3.229 1.00 0.00 H new ATOM 197 N ILE A 14 5.806 -4.269 -0.292 1.00 0.00 N ATOM 198 CA ILE A 14 4.873 -4.985 -1.148 1.00 0.00 C ATOM 199 C ILE A 14 5.627 -5.995 -1.995 1.00 0.00 C ATOM 200 O ILE A 14 5.296 -7.182 -1.986 1.00 0.00 O ATOM 201 CB ILE A 14 4.082 -4.040 -2.058 1.00 0.00 C ATOM 202 CG1 ILE A 14 3.352 -2.907 -1.345 1.00 0.00 C ATOM 203 CG2 ILE A 14 3.101 -4.821 -2.940 1.00 0.00 C ATOM 204 CD1 ILE A 14 2.325 -3.329 -0.320 1.00 0.00 C ATOM 0 H ILE A 14 5.795 -3.257 -0.418 1.00 0.00 H new ATOM 0 HA ILE A 14 4.159 -5.495 -0.501 1.00 0.00 H new ATOM 0 HB ILE A 14 4.842 -3.556 -2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.092 -2.277 -0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.857 -2.290 -2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.552 -4.127 -3.576 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.653 -5.525 -3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.400 -5.367 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.869 -2.444 0.124 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.555 -3.931 -0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.809 -3.917 0.460 1.00 0.00 H new ATOM 216 N GLN A 15 6.628 -5.506 -2.734 1.00 0.00 N ATOM 217 CA GLN A 15 7.428 -6.328 -3.612 1.00 0.00 C ATOM 218 C GLN A 15 8.069 -7.437 -2.799 1.00 0.00 C ATOM 219 O GLN A 15 7.847 -8.607 -3.089 1.00 0.00 O ATOM 220 CB GLN A 15 8.461 -5.487 -4.383 1.00 0.00 C ATOM 221 CG GLN A 15 7.865 -4.866 -5.656 1.00 0.00 C ATOM 222 CD GLN A 15 7.559 -5.894 -6.754 1.00 0.00 C ATOM 223 OE1 GLN A 15 7.654 -7.105 -6.565 1.00 0.00 O ATOM 224 NE2 GLN A 15 7.179 -5.429 -7.937 1.00 0.00 N ATOM 0 H GLN A 15 6.898 -4.522 -2.731 1.00 0.00 H new ATOM 0 HA GLN A 15 6.791 -6.782 -4.371 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.839 -4.695 -3.736 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.312 -6.114 -4.650 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.947 -4.338 -5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.560 -4.124 -6.048 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.102 -4.423 -8.089 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.964 -6.077 -8.695 1.00 0.00 H new ATOM 233 N LYS A 16 8.805 -7.106 -1.737 1.00 0.00 N ATOM 234 CA LYS A 16 9.515 -8.156 -1.020 1.00 0.00 C ATOM 235 C LYS A 16 8.557 -9.112 -0.324 1.00 0.00 C ATOM 236 O LYS A 16 8.876 -10.297 -0.249 1.00 0.00 O ATOM 237 CB LYS A 16 10.483 -7.586 0.025 1.00 0.00 C ATOM 238 CG LYS A 16 11.765 -6.956 -0.541 1.00 0.00 C ATOM 239 CD LYS A 16 11.567 -5.524 -1.050 1.00 0.00 C ATOM 240 CE LYS A 16 12.889 -4.829 -1.371 1.00 0.00 C ATOM 241 NZ LYS A 16 13.580 -5.454 -2.514 1.00 0.00 N ATOM 0 H LYS A 16 8.921 -6.162 -1.369 1.00 0.00 H new ATOM 0 HA LYS A 16 10.083 -8.699 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.956 -6.833 0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.763 -8.386 0.711 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.533 -6.956 0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.136 -7.576 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.944 -5.543 -1.944 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.029 -4.946 -0.298 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.702 -3.778 -1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.537 -4.860 -0.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.472 -4.952 -2.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.783 -6.450 -2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.973 -5.402 -3.357 1.00 0.00 H new ATOM 255 N CYS A 17 7.387 -8.653 0.140 1.00 0.00 N ATOM 256 CA CYS A 17 6.345 -9.556 0.600 1.00 0.00 C ATOM 257 C CYS A 17 6.010 -10.527 -0.521 1.00 0.00 C ATOM 258 O CYS A 17 5.952 -11.730 -0.284 1.00 0.00 O ATOM 259 CB CYS A 17 5.087 -8.797 1.029 1.00 0.00 C ATOM 260 SG CYS A 17 3.653 -9.854 1.390 1.00 0.00 S ATOM 0 H CYS A 17 7.147 -7.664 0.203 1.00 0.00 H new ATOM 0 HA CYS A 17 6.712 -10.096 1.473 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.319 -8.207 1.915 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.815 -8.095 0.241 1.00 0.00 H new ATOM 262 N LEU A 18 5.792 -10.015 -1.735 1.00 0.00 N ATOM 263 CA LEU A 18 5.474 -10.824 -2.890 1.00 0.00 C ATOM 264 C LEU A 18 6.584 -11.839 -3.154 1.00 0.00 C ATOM 265 O LEU A 18 6.281 -13.016 -3.341 1.00 0.00 O ATOM 266 CB LEU A 18 5.183 -9.929 -4.116 1.00 0.00 C ATOM 267 CG LEU A 18 3.716 -10.064 -4.554 1.00 0.00 C ATOM 268 CD1 LEU A 18 2.864 -8.984 -3.881 1.00 0.00 C ATOM 269 CD2 LEU A 18 3.567 -9.889 -6.071 1.00 0.00 C ATOM 0 H LEU A 18 5.834 -9.016 -1.934 1.00 0.00 H new ATOM 0 HA LEU A 18 4.565 -11.392 -2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.400 -8.889 -3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.840 -10.208 -4.940 1.00 0.00 H new ATOM 0 HG LEU A 18 3.385 -11.061 -4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.826 -9.089 -4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.925 -9.094 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.233 -7.999 -4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.518 -9.990 -6.348 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.925 -8.901 -6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.153 -10.651 -6.584 1.00 0.00 H new ATOM 281 N GLN A 19 7.852 -11.419 -3.141 1.00 0.00 N ATOM 282 CA GLN A 19 9.000 -12.312 -3.261 1.00 0.00 C ATOM 283 C GLN A 19 8.985 -13.382 -2.168 1.00 0.00 C ATOM 284 O GLN A 19 9.117 -14.564 -2.479 1.00 0.00 O ATOM 285 CB GLN A 19 10.314 -11.512 -3.321 1.00 0.00 C ATOM 286 CG GLN A 19 10.615 -10.852 -4.687 1.00 0.00 C ATOM 287 CD GLN A 19 9.934 -9.504 -4.971 1.00 0.00 C ATOM 288 OE1 GLN A 19 10.492 -8.466 -4.628 1.00 0.00 O ATOM 289 NE2 GLN A 19 8.770 -9.461 -5.627 1.00 0.00 N ATOM 0 H GLN A 19 8.110 -10.437 -3.046 1.00 0.00 H new ATOM 0 HA GLN A 19 8.929 -12.851 -4.206 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.284 -10.735 -2.558 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.139 -12.177 -3.066 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.693 -10.711 -4.766 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.326 -11.550 -5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.311 -10.327 -5.909 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.341 -8.562 -5.845 1.00 0.00 H new ATOM 298 N ALA A 20 8.731 -12.996 -0.917 1.00 0.00 N ATOM 299 CA ALA A 20 8.594 -13.910 0.208 1.00 0.00 C ATOM 300 C ALA A 20 7.369 -14.836 0.098 1.00 0.00 C ATOM 301 O ALA A 20 7.289 -15.806 0.847 1.00 0.00 O ATOM 302 CB ALA A 20 8.550 -13.100 1.511 1.00 0.00 C ATOM 0 H ALA A 20 8.613 -12.017 -0.656 1.00 0.00 H new ATOM 0 HA ALA A 20 9.462 -14.569 0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.447 -13.778 2.358 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.471 -12.527 1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.700 -12.418 1.487 1.00 0.00 H new ATOM 308 N ASN A 21 6.424 -14.566 -0.817 1.00 0.00 N ATOM 309 CA ASN A 21 5.155 -15.279 -0.933 1.00 0.00 C ATOM 310 C ASN A 21 4.951 -15.874 -2.330 1.00 0.00 C ATOM 311 O ASN A 21 3.863 -16.370 -2.606 1.00 0.00 O ATOM 312 CB ASN A 21 4.009 -14.352 -0.508 1.00 0.00 C ATOM 313 CG ASN A 21 3.962 -14.229 1.012 1.00 0.00 C ATOM 314 OD1 ASN A 21 3.405 -15.078 1.694 1.00 0.00 O ATOM 315 ND2 ASN A 21 4.560 -13.191 1.570 1.00 0.00 N ATOM 0 H ASN A 21 6.530 -13.826 -1.511 1.00 0.00 H new ATOM 0 HA ASN A 21 5.169 -16.135 -0.258 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.144 -13.367 -0.955 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.061 -14.742 -0.877 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.562 -13.088 2.585 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.020 -12.493 0.986 1.00 0.00 H new ATOM 322 N SER A 22 5.966 -15.858 -3.213 1.00 0.00 N ATOM 323 CA SER A 22 5.876 -16.405 -4.569 1.00 0.00 C ATOM 324 C SER A 22 4.750 -15.735 -5.356 1.00 0.00 C ATOM 325 O SER A 22 4.001 -16.364 -6.100 1.00 0.00 O ATOM 326 CB SER A 22 5.736 -17.926 -4.553 1.00 0.00 C ATOM 327 OG SER A 22 6.749 -18.501 -3.751 1.00 0.00 O ATOM 0 H SER A 22 6.880 -15.459 -2.998 1.00 0.00 H new ATOM 0 HA SER A 22 6.811 -16.181 -5.082 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.755 -18.204 -4.168 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.801 -18.315 -5.569 1.00 0.00 H new ATOM 0 HG SER A 22 6.649 -19.476 -3.746 1.00 0.00 H new ATOM 333 N TYR A 23 4.653 -14.423 -5.154 1.00 0.00 N ATOM 334 CA TYR A 23 3.860 -13.469 -5.895 1.00 0.00 C ATOM 335 C TYR A 23 2.360 -13.564 -5.642 1.00 0.00 C ATOM 336 O TYR A 23 1.554 -12.927 -6.322 1.00 0.00 O ATOM 337 CB TYR A 23 4.331 -13.468 -7.352 1.00 0.00 C ATOM 338 CG TYR A 23 5.848 -13.392 -7.481 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.583 -12.609 -6.576 1.00 0.00 C ATOM 340 CD2 TYR A 23 6.543 -14.197 -8.400 1.00 0.00 C ATOM 341 CE1 TYR A 23 7.969 -12.565 -6.600 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.953 -14.201 -8.412 1.00 0.00 C ATOM 343 CZ TYR A 23 8.677 -13.367 -7.523 1.00 0.00 C ATOM 344 OH TYR A 23 10.038 -13.363 -7.513 1.00 0.00 O ATOM 0 H TYR A 23 5.174 -13.971 -4.403 1.00 0.00 H new ATOM 0 HA TYR A 23 4.038 -12.463 -5.515 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.974 -14.372 -7.845 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.883 -12.622 -7.873 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.053 -12.024 -5.839 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.996 -14.813 -9.098 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.504 -11.922 -5.917 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.483 -14.842 -9.101 1.00 0.00 H new ATOM 0 HH TYR A 23 10.372 -13.968 -8.208 1.00 0.00 H new ATOM 354 N MET A 24 2.004 -14.289 -4.585 1.00 0.00 N ATOM 355 CA MET A 24 0.671 -14.363 -4.041 1.00 0.00 C ATOM 356 C MET A 24 0.311 -13.041 -3.369 1.00 0.00 C ATOM 357 O MET A 24 0.416 -12.890 -2.152 1.00 0.00 O ATOM 358 CB MET A 24 0.546 -15.568 -3.096 1.00 0.00 C ATOM 359 CG MET A 24 0.860 -16.874 -3.832 1.00 0.00 C ATOM 360 SD MET A 24 0.319 -18.375 -2.967 1.00 0.00 S ATOM 361 CE MET A 24 1.596 -18.479 -1.685 1.00 0.00 C ATOM 0 H MET A 24 2.673 -14.862 -4.070 1.00 0.00 H new ATOM 0 HA MET A 24 -0.049 -14.521 -4.844 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.228 -15.447 -2.254 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.463 -15.610 -2.686 1.00 0.00 H new ATOM 0 HG2 MET A 24 0.387 -16.846 -4.814 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.936 -16.933 -3.998 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.355 -19.288 -0.996 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.563 -18.674 -2.149 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.640 -17.537 -1.138 1.00 0.00 H new ATOM 371 N GLU A 25 -0.169 -12.083 -4.168 1.00 0.00 N ATOM 372 CA GLU A 25 -0.720 -10.824 -3.686 1.00 0.00 C ATOM 373 C GLU A 25 -1.834 -11.051 -2.649 1.00 0.00 C ATOM 374 O GLU A 25 -2.057 -10.188 -1.805 1.00 0.00 O ATOM 375 CB GLU A 25 -1.240 -10.008 -4.881 1.00 0.00 C ATOM 376 CG GLU A 25 -1.249 -8.512 -4.553 1.00 0.00 C ATOM 377 CD GLU A 25 -2.250 -7.733 -5.404 1.00 0.00 C ATOM 378 OE1 GLU A 25 -1.942 -7.515 -6.596 1.00 0.00 O ATOM 379 OE2 GLU A 25 -3.309 -7.374 -4.840 1.00 0.00 O ATOM 0 H GLU A 25 -0.183 -12.167 -5.184 1.00 0.00 H new ATOM 0 HA GLU A 25 0.071 -10.267 -3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.612 -10.190 -5.753 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.247 -10.335 -5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.490 -8.376 -3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.250 -8.103 -4.707 1.00 0.00 H new ATOM 386 N SER A 26 -2.493 -12.216 -2.665 1.00 0.00 N ATOM 387 CA SER A 26 -3.431 -12.684 -1.653 1.00 0.00 C ATOM 388 C SER A 26 -2.830 -12.650 -0.242 1.00 0.00 C ATOM 389 O SER A 26 -3.508 -12.259 0.704 1.00 0.00 O ATOM 390 CB SER A 26 -3.835 -14.119 -2.010 1.00 0.00 C ATOM 391 OG SER A 26 -4.151 -14.222 -3.386 1.00 0.00 O ATOM 0 H SER A 26 -2.376 -12.887 -3.425 1.00 0.00 H new ATOM 0 HA SER A 26 -4.296 -12.020 -1.644 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.022 -14.802 -1.766 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.694 -14.420 -1.411 1.00 0.00 H new ATOM 0 HG SER A 26 -4.405 -15.145 -3.595 1.00 0.00 H new ATOM 397 N LYS A 27 -1.555 -13.031 -0.096 1.00 0.00 N ATOM 398 CA LYS A 27 -0.812 -12.952 1.152 1.00 0.00 C ATOM 399 C LYS A 27 -0.505 -11.484 1.450 1.00 0.00 C ATOM 400 O LYS A 27 -0.733 -10.989 2.554 1.00 0.00 O ATOM 401 CB LYS A 27 0.493 -13.762 1.041 1.00 0.00 C ATOM 402 CG LYS A 27 0.298 -15.258 0.723 1.00 0.00 C ATOM 403 CD LYS A 27 0.179 -16.111 1.988 1.00 0.00 C ATOM 404 CE LYS A 27 -0.114 -17.563 1.605 1.00 0.00 C ATOM 405 NZ LYS A 27 -0.207 -18.426 2.797 1.00 0.00 N ATOM 0 H LYS A 27 -1.005 -13.411 -0.866 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.406 -13.372 1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.115 -13.318 0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.041 -13.672 1.979 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.599 -15.384 0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.138 -15.613 0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.103 -16.056 2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.617 -15.725 2.625 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.048 -17.612 1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.672 -17.933 0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.406 -19.404 2.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.693 -18.398 3.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.973 -18.086 3.412 1.00 0.00 H new ATOM 419 N CYS A 28 -0.010 -10.771 0.435 1.00 0.00 N ATOM 420 CA CYS A 28 0.443 -9.399 0.533 1.00 0.00 C ATOM 421 C CYS A 28 -0.702 -8.390 0.684 1.00 0.00 C ATOM 422 O CYS A 28 -0.430 -7.206 0.855 1.00 0.00 O ATOM 423 CB CYS A 28 1.404 -9.186 -0.632 1.00 0.00 C ATOM 424 SG CYS A 28 2.820 -10.310 -0.434 1.00 0.00 S ATOM 0 H CYS A 28 0.086 -11.155 -0.505 1.00 0.00 H new ATOM 0 HA CYS A 28 0.985 -9.210 1.459 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.899 -9.378 -1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.744 -8.151 -0.657 1.00 0.00 H new ATOM 426 N GLN A 29 -1.966 -8.829 0.751 1.00 0.00 N ATOM 427 CA GLN A 29 -3.072 -7.965 1.162 1.00 0.00 C ATOM 428 C GLN A 29 -2.789 -7.325 2.533 1.00 0.00 C ATOM 429 O GLN A 29 -3.260 -6.214 2.778 1.00 0.00 O ATOM 430 CB GLN A 29 -4.411 -8.721 1.216 1.00 0.00 C ATOM 431 CG GLN A 29 -4.893 -9.290 -0.124 1.00 0.00 C ATOM 432 CD GLN A 29 -4.972 -8.250 -1.240 1.00 0.00 C ATOM 433 OE1 GLN A 29 -5.843 -7.391 -1.245 1.00 0.00 O ATOM 434 NE2 GLN A 29 -4.061 -8.326 -2.199 1.00 0.00 N ATOM 0 H GLN A 29 -2.245 -9.783 0.524 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.154 -7.184 0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.319 -9.541 1.929 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.175 -8.047 1.603 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.220 -10.090 -0.432 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.877 -9.737 0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.347 -9.054 -2.168 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.074 -7.657 -2.969 1.00 0.00 H new ATOM 443 N ALA A 30 -1.986 -7.988 3.387 1.00 0.00 N ATOM 444 CA ALA A 30 -1.479 -7.480 4.658 1.00 0.00 C ATOM 445 C ALA A 30 -0.651 -6.212 4.476 1.00 0.00 C ATOM 446 O ALA A 30 -0.910 -5.179 5.087 1.00 0.00 O ATOM 447 CB ALA A 30 -0.576 -8.542 5.304 1.00 0.00 C ATOM 0 H ALA A 30 -1.663 -8.936 3.192 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.341 -7.251 5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.195 -8.167 6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.151 -9.452 5.478 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.259 -8.762 4.639 1.00 0.00 H new ATOM 453 N VAL A 31 0.399 -6.313 3.666 1.00 0.00 N ATOM 454 CA VAL A 31 1.362 -5.255 3.466 1.00 0.00 C ATOM 455 C VAL A 31 0.748 -4.156 2.592 1.00 0.00 C ATOM 456 O VAL A 31 1.059 -2.986 2.799 1.00 0.00 O ATOM 457 CB VAL A 31 2.647 -5.899 2.925 1.00 0.00 C ATOM 458 CG1 VAL A 31 2.443 -6.488 1.540 1.00 0.00 C ATOM 459 CG2 VAL A 31 3.867 -4.999 2.930 1.00 0.00 C ATOM 0 H VAL A 31 0.601 -7.153 3.123 1.00 0.00 H new ATOM 0 HA VAL A 31 1.634 -4.743 4.389 1.00 0.00 H new ATOM 0 HB VAL A 31 2.859 -6.698 3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.375 -6.934 1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.668 -7.253 1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.139 -5.700 0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.722 -5.543 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.674 -4.122 2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.082 -4.684 3.951 1.00 0.00 H new ATOM 469 N ILE A 32 -0.185 -4.497 1.686 1.00 0.00 N ATOM 470 CA ILE A 32 -0.993 -3.532 0.968 1.00 0.00 C ATOM 471 C ILE A 32 -1.809 -2.768 2.012 1.00 0.00 C ATOM 472 O ILE A 32 -1.801 -1.541 1.987 1.00 0.00 O ATOM 473 CB ILE A 32 -1.835 -4.224 -0.136 1.00 0.00 C ATOM 474 CG1 ILE A 32 -0.931 -4.863 -1.215 1.00 0.00 C ATOM 475 CG2 ILE A 32 -2.791 -3.250 -0.847 1.00 0.00 C ATOM 476 CD1 ILE A 32 -1.643 -5.897 -2.084 1.00 0.00 C ATOM 0 H ILE A 32 -0.391 -5.465 1.439 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.384 -2.813 0.420 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.417 -4.989 0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.534 -4.076 -1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.079 -5.337 -0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.356 -3.786 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.480 -2.821 -0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.215 -2.452 -1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.944 -6.300 -2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.016 -6.706 -1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.478 -5.425 -2.601 1.00 0.00 H new ATOM 488 N GLN A 33 -2.419 -3.460 2.985 1.00 0.00 N ATOM 489 CA GLN A 33 -3.083 -2.824 4.108 1.00 0.00 C ATOM 490 C GLN A 33 -2.154 -1.890 4.860 1.00 0.00 C ATOM 491 O GLN A 33 -2.578 -0.816 5.283 1.00 0.00 O ATOM 492 CB GLN A 33 -3.647 -3.874 5.079 1.00 0.00 C ATOM 493 CG GLN A 33 -5.136 -3.661 5.275 1.00 0.00 C ATOM 494 CD GLN A 33 -5.954 -3.692 3.978 1.00 0.00 C ATOM 495 OE1 GLN A 33 -6.895 -2.921 3.830 1.00 0.00 O ATOM 496 NE2 GLN A 33 -5.617 -4.539 3.008 1.00 0.00 N ATOM 0 H GLN A 33 -2.460 -4.479 3.006 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.902 -2.235 3.696 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.464 -4.875 4.690 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.133 -3.806 6.038 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.516 -4.429 5.949 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.292 -2.701 5.766 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.833 -5.178 3.138 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.143 -4.549 2.134 1.00 0.00 H new ATOM 505 N GLU A 34 -0.887 -2.267 5.024 1.00 0.00 N ATOM 506 CA GLU A 34 -0.002 -1.397 5.744 1.00 0.00 C ATOM 507 C GLU A 34 0.305 -0.150 4.904 1.00 0.00 C ATOM 508 O GLU A 34 0.333 0.967 5.421 1.00 0.00 O ATOM 509 CB GLU A 34 1.259 -2.171 6.130 1.00 0.00 C ATOM 510 CG GLU A 34 2.072 -1.270 7.043 1.00 0.00 C ATOM 511 CD GLU A 34 3.336 -1.964 7.545 1.00 0.00 C ATOM 512 OE1 GLU A 34 4.271 -2.094 6.725 1.00 0.00 O ATOM 513 OE2 GLU A 34 3.340 -2.361 8.731 1.00 0.00 O ATOM 0 H GLU A 34 -0.476 -3.135 4.679 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.473 -1.051 6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.001 -3.101 6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.833 -2.440 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.345 -0.361 6.507 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.461 -0.968 7.894 1.00 0.00 H new ATOM 520 N LEU A 35 0.502 -0.327 3.593 1.00 0.00 N ATOM 521 CA LEU A 35 0.760 0.754 2.661 1.00 0.00 C ATOM 522 C LEU A 35 -0.478 1.653 2.553 1.00 0.00 C ATOM 523 O LEU A 35 -0.347 2.850 2.325 1.00 0.00 O ATOM 524 CB LEU A 35 1.215 0.129 1.333 1.00 0.00 C ATOM 525 CG LEU A 35 2.191 0.908 0.435 1.00 0.00 C ATOM 526 CD1 LEU A 35 1.976 0.660 -1.055 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.284 2.421 0.633 1.00 0.00 C ATOM 0 H LEU A 35 0.484 -1.246 3.151 1.00 0.00 H new ATOM 0 HA LEU A 35 1.560 1.411 3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.676 -0.832 1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.321 -0.079 0.744 1.00 0.00 H new ATOM 0 HG LEU A 35 3.134 0.485 0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.698 1.241 -1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.110 -0.400 -1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.966 0.962 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.009 2.836 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.308 2.872 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.601 2.636 1.654 1.00 0.00 H new ATOM 539 N ARG A 36 -1.677 1.117 2.801 1.00 0.00 N ATOM 540 CA ARG A 36 -2.940 1.850 2.815 1.00 0.00 C ATOM 541 C ARG A 36 -2.924 2.816 3.980 1.00 0.00 C ATOM 542 O ARG A 36 -3.112 4.020 3.832 1.00 0.00 O ATOM 543 CB ARG A 36 -4.114 0.875 3.014 1.00 0.00 C ATOM 544 CG ARG A 36 -5.005 0.668 1.804 1.00 0.00 C ATOM 545 CD ARG A 36 -4.691 -0.616 1.031 1.00 0.00 C ATOM 546 NE ARG A 36 -5.581 -0.863 -0.112 1.00 0.00 N ATOM 547 CZ ARG A 36 -5.524 -0.298 -1.327 1.00 0.00 C ATOM 548 NH1 ARG A 36 -4.737 0.749 -1.579 1.00 0.00 N ATOM 549 NH2 ARG A 36 -6.266 -0.810 -2.301 1.00 0.00 N ATOM 0 H ARG A 36 -1.795 0.125 3.005 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.060 2.379 1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.713 -0.092 3.317 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.729 1.238 3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.045 0.643 2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.900 1.522 1.134 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.663 -0.569 0.673 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.752 -1.463 1.715 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.328 -1.542 0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.157 1.141 -0.837 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.715 1.157 -2.513 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.863 -1.616 -2.117 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.239 -0.397 -3.233 1.00 0.00 H new ATOM 563 N LYS A 37 -2.700 2.230 5.152 1.00 0.00 N ATOM 564 CA LYS A 37 -2.636 2.930 6.426 1.00 0.00 C ATOM 565 C LYS A 37 -1.502 3.953 6.416 1.00 0.00 C ATOM 566 O LYS A 37 -1.645 5.016 7.022 1.00 0.00 O ATOM 567 CB LYS A 37 -2.489 1.920 7.578 1.00 0.00 C ATOM 568 CG LYS A 37 -3.814 1.364 8.135 1.00 0.00 C ATOM 569 CD LYS A 37 -4.855 0.927 7.092 1.00 0.00 C ATOM 570 CE LYS A 37 -5.825 -0.089 7.692 1.00 0.00 C ATOM 571 NZ LYS A 37 -6.865 -0.483 6.723 1.00 0.00 N ATOM 0 H LYS A 37 -2.554 1.225 5.242 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.566 3.477 6.582 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.880 1.085 7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.943 2.398 8.392 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.587 0.509 8.772 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.265 2.125 8.772 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.406 1.797 6.734 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.352 0.491 6.229 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.274 -0.972 8.015 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.295 0.335 8.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.455 -1.235 7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.460 0.340 6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.415 -0.832 5.853 1.00 0.00 H new ATOM 585 N CYS A 38 -0.409 3.663 5.698 1.00 0.00 N ATOM 586 CA CYS A 38 0.621 4.635 5.407 1.00 0.00 C ATOM 587 C CYS A 38 0.027 5.741 4.546 1.00 0.00 C ATOM 588 O CYS A 38 0.111 6.904 4.899 1.00 0.00 O ATOM 589 CB CYS A 38 1.808 3.991 4.687 1.00 0.00 C ATOM 590 SG CYS A 38 3.145 5.181 4.383 1.00 0.00 S ATOM 0 H CYS A 38 -0.225 2.739 5.306 1.00 0.00 H new ATOM 0 HA CYS A 38 0.989 5.048 6.346 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.189 3.163 5.285 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.473 3.572 3.738 1.00 0.00 H new ATOM 592 N CYS A 39 -0.558 5.396 3.404 1.00 0.00 N ATOM 593 CA CYS A 39 -0.981 6.344 2.390 1.00 0.00 C ATOM 594 C CYS A 39 -1.984 7.352 2.921 1.00 0.00 C ATOM 595 O CYS A 39 -1.841 8.560 2.728 1.00 0.00 O ATOM 596 CB CYS A 39 -1.550 5.535 1.243 1.00 0.00 C ATOM 597 SG CYS A 39 -2.145 6.412 -0.216 1.00 0.00 S ATOM 0 H CYS A 39 -0.754 4.426 3.156 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.132 6.941 2.058 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.781 4.834 0.918 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.377 4.942 1.634 1.00 0.00 H new ATOM 599 N ALA A 40 -2.977 6.839 3.639 1.00 0.00 N ATOM 600 CA ALA A 40 -4.058 7.631 4.183 1.00 0.00 C ATOM 601 C ALA A 40 -3.606 8.552 5.321 1.00 0.00 C ATOM 602 O ALA A 40 -4.418 9.321 5.831 1.00 0.00 O ATOM 603 CB ALA A 40 -5.190 6.698 4.631 1.00 0.00 C ATOM 0 H ALA A 40 -3.049 5.846 3.859 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.421 8.293 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.008 7.290 5.042 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.550 6.126 3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.818 6.014 5.394 1.00 0.00 H new ATOM 609 N GLN A 41 -2.333 8.493 5.726 1.00 0.00 N ATOM 610 CA GLN A 41 -1.787 9.257 6.815 1.00 0.00 C ATOM 611 C GLN A 41 -1.315 10.641 6.356 1.00 0.00 C ATOM 612 O GLN A 41 -0.890 11.444 7.186 1.00 0.00 O ATOM 613 CB GLN A 41 -0.623 8.437 7.372 1.00 0.00 C ATOM 614 CG GLN A 41 -0.487 8.479 8.872 1.00 0.00 C ATOM 615 CD GLN A 41 -1.656 7.841 9.630 1.00 0.00 C ATOM 616 OE1 GLN A 41 -2.121 8.385 10.623 1.00 0.00 O ATOM 617 NE2 GLN A 41 -2.160 6.685 9.208 1.00 0.00 N ATOM 0 H GLN A 41 -1.645 7.887 5.279 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.545 9.438 7.577 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.745 7.400 7.060 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.304 8.797 6.926 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.435 7.971 9.156 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.389 9.518 9.187 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.773 6.232 8.381 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.934 6.252 9.712 1.00 0.00 H new ATOM 626 N TYR A 42 -1.353 10.909 5.044 1.00 0.00 N ATOM 627 CA TYR A 42 -0.735 12.058 4.425 1.00 0.00 C ATOM 628 C TYR A 42 -1.647 12.673 3.362 1.00 0.00 C ATOM 629 O TYR A 42 -2.518 11.980 2.828 1.00 0.00 O ATOM 630 CB TYR A 42 0.583 11.634 3.762 1.00 0.00 C ATOM 631 CG TYR A 42 1.604 11.014 4.697 1.00 0.00 C ATOM 632 CD1 TYR A 42 1.532 9.641 4.963 1.00 0.00 C ATOM 633 CD2 TYR A 42 2.610 11.788 5.303 1.00 0.00 C ATOM 634 CE1 TYR A 42 2.487 9.009 5.771 1.00 0.00 C ATOM 635 CE2 TYR A 42 3.553 11.175 6.147 1.00 0.00 C ATOM 636 CZ TYR A 42 3.495 9.782 6.388 1.00 0.00 C ATOM 637 OH TYR A 42 4.399 9.200 7.226 1.00 0.00 O ATOM 0 H TYR A 42 -1.832 10.306 4.376 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.551 12.802 5.200 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.360 10.921 2.969 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.031 12.508 3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.727 9.059 4.538 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.658 12.851 5.120 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.452 7.940 5.920 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.325 11.770 6.613 1.00 0.00 H new ATOM 0 HH TYR A 42 5.021 9.880 7.560 1.00 0.00 H new ATOM 647 N PRO A 43 -1.426 13.948 2.992 1.00 0.00 N ATOM 648 CA PRO A 43 -2.024 14.516 1.795 1.00 0.00 C ATOM 649 C PRO A 43 -1.370 13.769 0.627 1.00 0.00 C ATOM 650 O PRO A 43 -0.168 13.897 0.423 1.00 0.00 O ATOM 651 CB PRO A 43 -1.698 16.013 1.839 1.00 0.00 C ATOM 652 CG PRO A 43 -0.421 16.090 2.679 1.00 0.00 C ATOM 653 CD PRO A 43 -0.552 14.916 3.649 1.00 0.00 C ATOM 0 HA PRO A 43 -3.105 14.414 1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.543 16.417 0.839 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.508 16.585 2.291 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.471 16.000 2.060 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.347 17.040 3.208 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.422 14.478 3.866 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.974 15.241 4.600 1.00 0.00 H new ATOM 661 N LYS A 44 -2.137 12.964 -0.114 1.00 0.00 N ATOM 662 CA LYS A 44 -1.668 11.957 -1.081 1.00 0.00 C ATOM 663 C LYS A 44 -0.516 12.380 -1.996 1.00 0.00 C ATOM 664 O LYS A 44 0.378 11.575 -2.253 1.00 0.00 O ATOM 665 CB LYS A 44 -2.862 11.424 -1.901 1.00 0.00 C ATOM 666 CG LYS A 44 -4.098 11.037 -1.063 1.00 0.00 C ATOM 667 CD LYS A 44 -3.766 9.985 0.002 1.00 0.00 C ATOM 668 CE LYS A 44 -4.940 9.684 0.934 1.00 0.00 C ATOM 669 NZ LYS A 44 -5.149 10.771 1.908 1.00 0.00 N ATOM 0 H LYS A 44 -3.155 12.996 -0.055 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.231 11.165 -0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.155 12.183 -2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.536 10.551 -2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.501 11.927 -0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.876 10.652 -1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.455 9.064 -0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.919 10.331 0.594 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.846 9.542 0.345 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.755 8.750 1.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.654 10.401 2.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.228 11.153 2.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.712 11.527 1.469 1.00 0.00 H new ATOM 683 N GLY A 45 -0.484 13.648 -2.411 1.00 0.00 N ATOM 684 CA GLY A 45 0.597 14.237 -3.203 1.00 0.00 C ATOM 685 C GLY A 45 1.985 14.146 -2.545 1.00 0.00 C ATOM 686 O GLY A 45 2.991 14.293 -3.236 1.00 0.00 O ATOM 0 H GLY A 45 -1.230 14.311 -2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.634 13.740 -4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.365 15.285 -3.391 1.00 0.00 H new ATOM 690 N ARG A 46 2.056 13.862 -1.238 1.00 0.00 N ATOM 691 CA ARG A 46 3.253 13.525 -0.485 1.00 0.00 C ATOM 692 C ARG A 46 3.955 12.284 -1.054 1.00 0.00 C ATOM 693 O ARG A 46 5.148 12.088 -0.815 1.00 0.00 O ATOM 694 CB ARG A 46 2.767 13.278 0.957 1.00 0.00 C ATOM 695 CG ARG A 46 3.817 12.896 2.000 1.00 0.00 C ATOM 696 CD ARG A 46 4.461 14.088 2.719 1.00 0.00 C ATOM 697 NE ARG A 46 5.161 15.008 1.802 1.00 0.00 N ATOM 698 CZ ARG A 46 6.270 14.745 1.090 1.00 0.00 C ATOM 699 NH1 ARG A 46 6.927 13.597 1.253 1.00 0.00 N ATOM 700 NH2 ARG A 46 6.717 15.622 0.194 1.00 0.00 N ATOM 0 H ARG A 46 1.223 13.864 -0.649 1.00 0.00 H new ATOM 0 HA ARG A 46 3.992 14.324 -0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.264 14.181 1.302 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.018 12.487 0.929 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.354 12.247 2.743 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.600 12.315 1.513 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.690 14.639 3.258 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.167 13.718 3.462 1.00 0.00 H new ATOM 0 HE ARG A 46 4.762 15.941 1.698 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.589 12.907 1.924 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.768 13.408 0.707 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.217 16.499 0.045 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.559 15.417 -0.344 1.00 0.00 H new ATOM 714 N SER A 47 3.235 11.402 -1.759 1.00 0.00 N ATOM 715 CA SER A 47 3.769 10.120 -2.139 1.00 0.00 C ATOM 716 C SER A 47 3.274 9.656 -3.497 1.00 0.00 C ATOM 717 O SER A 47 2.081 9.620 -3.808 1.00 0.00 O ATOM 718 CB SER A 47 3.513 9.138 -1.003 1.00 0.00 C ATOM 719 OG SER A 47 3.641 7.795 -1.402 1.00 0.00 O ATOM 0 H SER A 47 2.278 11.569 -2.071 1.00 0.00 H new ATOM 0 HA SER A 47 4.847 10.195 -2.282 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.212 9.339 -0.191 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.510 9.301 -0.608 1.00 0.00 H new ATOM 0 HG SER A 47 4.511 7.449 -1.112 1.00 0.00 H new ATOM 725 N VAL A 48 4.259 9.251 -4.290 1.00 0.00 N ATOM 726 CA VAL A 48 4.100 8.690 -5.612 1.00 0.00 C ATOM 727 C VAL A 48 3.449 7.319 -5.482 1.00 0.00 C ATOM 728 O VAL A 48 2.443 7.057 -6.136 1.00 0.00 O ATOM 729 CB VAL A 48 5.450 8.607 -6.354 1.00 0.00 C ATOM 730 CG1 VAL A 48 5.180 8.264 -7.825 1.00 0.00 C ATOM 731 CG2 VAL A 48 6.259 9.912 -6.272 1.00 0.00 C ATOM 0 H VAL A 48 5.237 9.311 -4.007 1.00 0.00 H new ATOM 0 HA VAL A 48 3.459 9.340 -6.208 1.00 0.00 H new ATOM 0 HB VAL A 48 6.048 7.834 -5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.126 8.202 -8.364 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.664 7.306 -7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.559 9.040 -8.271 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.198 9.792 -6.812 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.685 10.725 -6.718 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.468 10.145 -5.228 1.00 0.00 H new ATOM 741 N VAL A 49 3.994 6.454 -4.617 1.00 0.00 N ATOM 742 CA VAL A 49 3.464 5.110 -4.455 1.00 0.00 C ATOM 743 C VAL A 49 2.014 5.185 -3.976 1.00 0.00 C ATOM 744 O VAL A 49 1.167 4.529 -4.569 1.00 0.00 O ATOM 745 CB VAL A 49 4.362 4.245 -3.555 1.00 0.00 C ATOM 746 CG1 VAL A 49 5.833 4.321 -3.970 1.00 0.00 C ATOM 747 CG2 VAL A 49 4.310 4.634 -2.078 1.00 0.00 C ATOM 0 H VAL A 49 4.797 6.667 -4.025 1.00 0.00 H new ATOM 0 HA VAL A 49 3.464 4.605 -5.421 1.00 0.00 H new ATOM 0 HB VAL A 49 3.963 3.239 -3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.431 3.695 -3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.940 3.969 -4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.177 5.353 -3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.968 3.980 -1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.635 5.668 -1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.289 4.532 -1.711 1.00 0.00 H new ATOM 757 N CYS A 50 1.718 6.039 -2.983 1.00 0.00 N ATOM 758 CA CYS A 50 0.398 6.274 -2.412 1.00 0.00 C ATOM 759 C CYS A 50 -0.557 6.819 -3.484 1.00 0.00 C ATOM 760 O CYS A 50 -1.734 6.457 -3.513 1.00 0.00 O ATOM 761 CB CYS A 50 0.579 7.296 -1.285 1.00 0.00 C ATOM 762 SG CYS A 50 -0.892 7.984 -0.500 1.00 0.00 S ATOM 0 H CYS A 50 2.437 6.610 -2.539 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.034 5.349 -2.031 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.181 6.827 -0.507 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.162 8.127 -1.682 1.00 0.00 H new ATOM 764 N SER A 51 -0.036 7.638 -4.409 1.00 0.00 N ATOM 765 CA SER A 51 -0.779 8.106 -5.565 1.00 0.00 C ATOM 766 C SER A 51 -1.097 6.952 -6.529 1.00 0.00 C ATOM 767 O SER A 51 -2.115 7.014 -7.214 1.00 0.00 O ATOM 768 CB SER A 51 -0.021 9.244 -6.255 1.00 0.00 C ATOM 769 OG SER A 51 0.181 10.326 -5.364 1.00 0.00 O ATOM 0 H SER A 51 0.920 7.991 -4.366 1.00 0.00 H new ATOM 0 HA SER A 51 -1.737 8.502 -5.228 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.941 8.880 -6.616 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.581 9.584 -7.126 1.00 0.00 H new ATOM 0 HG SER A 51 1.085 10.276 -4.989 1.00 0.00 H new ATOM 775 N GLY A 52 -0.293 5.875 -6.551 1.00 0.00 N ATOM 776 CA GLY A 52 -0.659 4.632 -7.246 1.00 0.00 C ATOM 777 C GLY A 52 -1.721 3.861 -6.493 1.00 0.00 C ATOM 778 O GLY A 52 -2.525 3.110 -7.037 1.00 0.00 O ATOM 0 H GLY A 52 0.618 5.842 -6.093 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.021 4.868 -8.247 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.227 4.008 -7.367 1.00 0.00 H new ATOM 782 N PHE A 53 -1.658 4.024 -5.189 1.00 0.00 N ATOM 783 CA PHE A 53 -2.303 3.202 -4.221 1.00 0.00 C ATOM 784 C PHE A 53 -3.756 3.470 -3.944 1.00 0.00 C ATOM 785 O PHE A 53 -4.541 2.537 -3.779 1.00 0.00 O ATOM 786 CB PHE A 53 -1.477 3.380 -2.971 1.00 0.00 C ATOM 787 CG PHE A 53 -1.337 2.083 -2.323 1.00 0.00 C ATOM 788 CD1 PHE A 53 -0.807 1.004 -3.052 1.00 0.00 C ATOM 789 CD2 PHE A 53 -1.794 1.974 -1.023 1.00 0.00 C ATOM 790 CE1 PHE A 53 -0.778 -0.257 -2.458 1.00 0.00 C ATOM 791 CE2 PHE A 53 -1.739 0.726 -0.443 1.00 0.00 C ATOM 792 CZ PHE A 53 -1.247 -0.374 -1.145 1.00 0.00 C ATOM 0 H PHE A 53 -1.121 4.781 -4.765 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.342 2.184 -4.609 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.497 3.788 -3.219 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.957 4.090 -2.298 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.429 1.149 -4.053 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.177 2.829 -0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.405 -1.117 -2.995 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.083 0.597 0.573 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.228 -1.340 -0.663 1.00 0.00 H new ATOM 802 N GLU A 54 -4.108 4.742 -3.874 1.00 0.00 N ATOM 803 CA GLU A 54 -5.503 5.129 -3.855 1.00 0.00 C ATOM 804 C GLU A 54 -6.159 4.761 -5.200 1.00 0.00 C ATOM 805 O GLU A 54 -7.336 4.401 -5.209 1.00 0.00 O ATOM 806 CB GLU A 54 -5.625 6.594 -3.422 1.00 0.00 C ATOM 807 CG GLU A 54 -5.266 6.732 -1.926 1.00 0.00 C ATOM 808 CD GLU A 54 -6.441 6.399 -1.007 1.00 0.00 C ATOM 809 OE1 GLU A 54 -6.682 5.189 -0.800 1.00 0.00 O ATOM 810 OE2 GLU A 54 -7.077 7.361 -0.522 1.00 0.00 O ATOM 0 H GLU A 54 -3.449 5.519 -3.830 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.070 4.573 -3.109 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.962 7.216 -4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.640 6.950 -3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.430 6.072 -1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.932 7.751 -1.729 1.00 0.00 H new ATOM 817 N LYS A 55 -5.399 4.714 -6.312 1.00 0.00 N ATOM 818 CA LYS A 55 -5.899 4.126 -7.550 1.00 0.00 C ATOM 819 C LYS A 55 -6.011 2.603 -7.408 1.00 0.00 C ATOM 820 O LYS A 55 -6.966 2.023 -7.919 1.00 0.00 O ATOM 821 CB LYS A 55 -5.057 4.525 -8.774 1.00 0.00 C ATOM 822 CG LYS A 55 -5.014 6.044 -8.988 1.00 0.00 C ATOM 823 CD LYS A 55 -4.284 6.390 -10.293 1.00 0.00 C ATOM 824 CE LYS A 55 -4.127 7.905 -10.453 1.00 0.00 C ATOM 825 NZ LYS A 55 -3.036 8.433 -9.613 1.00 0.00 N ATOM 0 H LYS A 55 -4.447 5.075 -6.369 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.896 4.529 -7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.041 4.150 -8.650 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.467 4.047 -9.664 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.029 6.440 -9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.510 6.520 -8.147 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.302 5.917 -10.300 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.838 5.987 -11.141 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.928 8.142 -11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.062 8.398 -10.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.299 9.373 -9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.872 7.790 -8.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.167 8.509 -10.180 1.00 0.00 H new ATOM 839 N GLU A 56 -5.102 1.947 -6.670 1.00 0.00 N ATOM 840 CA GLU A 56 -5.277 0.540 -6.311 1.00 0.00 C ATOM 841 C GLU A 56 -6.551 0.359 -5.479 1.00 0.00 C ATOM 842 O GLU A 56 -7.208 -0.662 -5.594 1.00 0.00 O ATOM 843 CB GLU A 56 -4.077 -0.073 -5.553 1.00 0.00 C ATOM 844 CG GLU A 56 -3.982 -1.582 -5.857 1.00 0.00 C ATOM 845 CD GLU A 56 -3.572 -2.408 -4.639 1.00 0.00 C ATOM 846 OE1 GLU A 56 -2.362 -2.413 -4.326 1.00 0.00 O ATOM 847 OE2 GLU A 56 -4.486 -3.037 -4.053 1.00 0.00 O ATOM 0 H GLU A 56 -4.245 2.370 -6.314 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.354 0.003 -7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.154 0.426 -5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.194 0.085 -4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.946 -1.936 -6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.260 -1.742 -6.658 1.00 0.00 H new ATOM 854 N GLU A 57 -6.912 1.315 -4.622 1.00 0.00 N ATOM 855 CA GLU A 57 -8.166 1.288 -3.869 1.00 0.00 C ATOM 856 C GLU A 57 -9.362 1.355 -4.822 1.00 0.00 C ATOM 857 O GLU A 57 -10.282 0.552 -4.691 1.00 0.00 O ATOM 858 CB GLU A 57 -8.182 2.384 -2.787 1.00 0.00 C ATOM 859 CG GLU A 57 -8.878 1.933 -1.494 1.00 0.00 C ATOM 860 CD GLU A 57 -10.354 1.576 -1.685 1.00 0.00 C ATOM 861 OE1 GLU A 57 -11.131 2.514 -1.963 1.00 0.00 O ATOM 862 OE2 GLU A 57 -10.680 0.376 -1.534 1.00 0.00 O ATOM 0 H GLU A 57 -6.338 2.136 -4.430 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.246 0.340 -3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.158 2.678 -2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.688 3.267 -3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.353 1.067 -1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.798 2.728 -0.752 1.00 0.00 H new ATOM 869 N GLU A 58 -9.332 2.236 -5.827 1.00 0.00 N ATOM 870 CA GLU A 58 -10.345 2.242 -6.882 1.00 0.00 C ATOM 871 C GLU A 58 -10.380 0.892 -7.616 1.00 0.00 C ATOM 872 O GLU A 58 -11.459 0.363 -7.890 1.00 0.00 O ATOM 873 CB GLU A 58 -10.115 3.403 -7.862 1.00 0.00 C ATOM 874 CG GLU A 58 -10.314 4.777 -7.204 1.00 0.00 C ATOM 875 CD GLU A 58 -9.984 5.904 -8.180 1.00 0.00 C ATOM 876 OE1 GLU A 58 -8.781 6.227 -8.296 1.00 0.00 O ATOM 877 OE2 GLU A 58 -10.939 6.418 -8.806 1.00 0.00 O ATOM 0 H GLU A 58 -8.615 2.954 -5.930 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.318 2.393 -6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.104 3.340 -8.264 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.800 3.304 -8.704 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.345 4.876 -6.864 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.679 4.857 -6.322 1.00 0.00 H new ATOM 884 N GLU A 59 -9.212 0.299 -7.890 1.00 0.00 N ATOM 885 CA GLU A 59 -9.099 -1.038 -8.461 1.00 0.00 C ATOM 886 C GLU A 59 -9.698 -2.095 -7.530 1.00 0.00 C ATOM 887 O GLU A 59 -10.385 -2.996 -7.997 1.00 0.00 O ATOM 888 CB GLU A 59 -7.640 -1.337 -8.834 1.00 0.00 C ATOM 889 CG GLU A 59 -7.465 -2.693 -9.530 1.00 0.00 C ATOM 890 CD GLU A 59 -6.006 -2.917 -9.931 1.00 0.00 C ATOM 891 OE1 GLU A 59 -5.166 -2.995 -9.008 1.00 0.00 O ATOM 892 OE2 GLU A 59 -5.757 -3.001 -11.154 1.00 0.00 O ATOM 0 H GLU A 59 -8.311 0.744 -7.717 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.684 -1.076 -9.380 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.269 -0.548 -9.489 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.029 -1.316 -7.932 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.790 -3.493 -8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.100 -2.737 -10.415 1.00 0.00 H new ATOM 899 N ASN A 60 -9.498 -1.999 -6.215 1.00 0.00 N ATOM 900 CA ASN A 60 -10.126 -2.915 -5.273 1.00 0.00 C ATOM 901 C ASN A 60 -11.646 -2.762 -5.339 1.00 0.00 C ATOM 902 O ASN A 60 -12.353 -3.765 -5.353 1.00 0.00 O ATOM 903 CB ASN A 60 -9.659 -2.688 -3.827 1.00 0.00 C ATOM 904 CG ASN A 60 -8.209 -3.048 -3.503 1.00 0.00 C ATOM 905 OD1 ASN A 60 -7.834 -3.073 -2.335 1.00 0.00 O ATOM 906 ND2 ASN A 60 -7.339 -3.250 -4.483 1.00 0.00 N ATOM 0 H ASN A 60 -8.904 -1.293 -5.781 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.828 -3.923 -5.562 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.810 -1.636 -3.583 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.307 -3.264 -3.167 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.358 -3.426 -4.266 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.651 -3.229 -5.454 1.00 0.00 H new ATOM 913 N LEU A 61 -12.151 -1.524 -5.402 1.00 0.00 N ATOM 914 CA LEU A 61 -13.580 -1.247 -5.435 1.00 0.00 C ATOM 915 C LEU A 61 -14.197 -1.815 -6.708 1.00 0.00 C ATOM 916 O LEU A 61 -15.257 -2.433 -6.646 1.00 0.00 O ATOM 917 CB LEU A 61 -13.872 0.259 -5.314 1.00 0.00 C ATOM 918 CG LEU A 61 -13.616 0.856 -3.915 1.00 0.00 C ATOM 919 CD1 LEU A 61 -13.781 2.380 -3.986 1.00 0.00 C ATOM 920 CD2 LEU A 61 -14.571 0.299 -2.849 1.00 0.00 C ATOM 0 H LEU A 61 -11.571 -0.686 -5.431 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.035 -1.735 -4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.259 0.793 -6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.913 0.436 -5.584 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.603 0.581 -3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -13.602 2.812 -3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -13.065 2.791 -4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -14.793 2.622 -4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -14.345 0.754 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -15.600 0.529 -3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.447 -0.782 -2.778 1.00 0.00 H new ATOM 932 N THR A 62 -13.532 -1.642 -7.856 1.00 0.00 N ATOM 933 CA THR A 62 -13.986 -2.242 -9.099 1.00 0.00 C ATOM 934 C THR A 62 -13.890 -3.773 -9.026 1.00 0.00 C ATOM 935 O THR A 62 -14.808 -4.461 -9.479 1.00 0.00 O ATOM 936 CB THR A 62 -13.252 -1.589 -10.289 1.00 0.00 C ATOM 937 OG1 THR A 62 -14.154 -1.352 -11.348 1.00 0.00 O ATOM 938 CG2 THR A 62 -12.052 -2.342 -10.857 1.00 0.00 C ATOM 0 H THR A 62 -12.679 -1.090 -7.942 1.00 0.00 H new ATOM 0 HA THR A 62 -15.045 -2.042 -9.263 1.00 0.00 H new ATOM 0 HB THR A 62 -12.849 -0.672 -9.859 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.678 -0.936 -12.097 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.628 -1.777 -11.687 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.299 -2.466 -10.079 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.372 -3.322 -11.211 1.00 0.00 H new ATOM 946 N ARG A 63 -12.826 -4.321 -8.419 1.00 0.00 N ATOM 947 CA ARG A 63 -12.658 -5.770 -8.298 1.00 0.00 C ATOM 948 C ARG A 63 -13.692 -6.407 -7.375 1.00 0.00 C ATOM 949 O ARG A 63 -14.084 -7.548 -7.610 1.00 0.00 O ATOM 950 CB ARG A 63 -11.233 -6.143 -7.861 1.00 0.00 C ATOM 951 CG ARG A 63 -10.173 -5.996 -8.973 1.00 0.00 C ATOM 952 CD ARG A 63 -10.111 -7.181 -9.957 1.00 0.00 C ATOM 953 NE ARG A 63 -11.357 -7.354 -10.723 1.00 0.00 N ATOM 954 CZ ARG A 63 -11.789 -6.577 -11.724 1.00 0.00 C ATOM 955 NH1 ARG A 63 -10.978 -5.692 -12.301 1.00 0.00 N ATOM 956 NH2 ARG A 63 -13.057 -6.686 -12.115 1.00 0.00 N ATOM 0 H ARG A 63 -12.069 -3.777 -8.004 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.825 -6.177 -9.295 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.948 -5.515 -7.017 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -11.231 -7.174 -7.507 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.377 -5.084 -9.534 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.194 -5.873 -8.510 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.283 -7.029 -10.649 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.900 -8.096 -9.403 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.949 -8.144 -10.465 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.014 -5.600 -11.981 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.321 -5.107 -13.063 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.677 -7.351 -11.654 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.408 -6.104 -12.876 1.00 0.00 H new ATOM 970 N LYS A 64 -14.183 -5.675 -6.372 1.00 0.00 N ATOM 971 CA LYS A 64 -15.332 -6.032 -5.539 1.00 0.00 C ATOM 972 C LYS A 64 -16.646 -5.966 -6.352 1.00 0.00 C ATOM 973 O LYS A 64 -17.646 -5.406 -5.903 1.00 0.00 O ATOM 974 CB LYS A 64 -15.349 -5.131 -4.286 1.00 0.00 C ATOM 975 CG LYS A 64 -14.185 -5.433 -3.324 1.00 0.00 C ATOM 976 CD LYS A 64 -13.929 -4.256 -2.374 1.00 0.00 C ATOM 977 CE LYS A 64 -12.667 -4.508 -1.546 1.00 0.00 C ATOM 978 NZ LYS A 64 -12.311 -3.334 -0.728 1.00 0.00 N ATOM 0 H LYS A 64 -13.773 -4.779 -6.108 1.00 0.00 H new ATOM 0 HA LYS A 64 -15.242 -7.065 -5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.300 -4.086 -4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.294 -5.264 -3.760 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.412 -6.328 -2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.282 -5.644 -3.897 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.819 -3.335 -2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.785 -4.120 -1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.823 -5.370 -0.898 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.839 -4.754 -2.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.451 -3.540 -0.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.138 -2.518 -1.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.092 -3.115 -0.077 1.00 0.00 H new ATOM 992 N SER A 65 -16.661 -6.555 -7.551 1.00 0.00 N ATOM 993 CA SER A 65 -17.802 -6.717 -8.433 1.00 0.00 C ATOM 994 C SER A 65 -17.676 -8.057 -9.175 1.00 0.00 C ATOM 995 O SER A 65 -16.667 -8.758 -9.018 1.00 0.00 O ATOM 996 CB SER A 65 -17.901 -5.518 -9.389 1.00 0.00 C ATOM 997 OG SER A 65 -16.878 -5.541 -10.363 1.00 0.00 O ATOM 0 H SER A 65 -15.813 -6.956 -7.951 1.00 0.00 H new ATOM 0 HA SER A 65 -18.729 -6.740 -7.860 1.00 0.00 H new ATOM 0 HB2 SER A 65 -18.873 -5.525 -9.882 1.00 0.00 H new ATOM 0 HB3 SER A 65 -17.839 -4.591 -8.818 1.00 0.00 H new ATOM 0 HG SER A 65 -16.005 -5.579 -9.920 1.00 0.00 H new ATOM 1003 N ALA A 66 -18.698 -8.406 -9.975 1.00 0.00 N ATOM 1004 CA ALA A 66 -18.836 -9.646 -10.740 1.00 0.00 C ATOM 1005 C ALA A 66 -17.743 -9.792 -11.813 1.00 0.00 C ATOM 1006 O ALA A 66 -17.978 -9.656 -13.014 1.00 0.00 O ATOM 1007 CB ALA A 66 -20.247 -9.715 -11.339 1.00 0.00 C ATOM 0 H ALA A 66 -19.497 -7.787 -10.109 1.00 0.00 H new ATOM 0 HA ALA A 66 -18.699 -10.491 -10.065 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.355 -10.637 -11.910 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -20.984 -9.697 -10.536 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -20.405 -8.860 -11.997 1.00 0.00 H new ATOM 1013 N SER A 67 -16.526 -10.077 -11.357 1.00 0.00 N ATOM 1014 CA SER A 67 -15.292 -10.067 -12.118 1.00 0.00 C ATOM 1015 C SER A 67 -15.140 -11.363 -12.923 1.00 0.00 C ATOM 1016 O SER A 67 -14.217 -12.145 -12.695 1.00 0.00 O ATOM 1017 CB SER A 67 -14.135 -9.819 -11.140 1.00 0.00 C ATOM 1018 OG SER A 67 -14.318 -8.573 -10.479 1.00 0.00 O ATOM 0 H SER A 67 -16.372 -10.337 -10.383 1.00 0.00 H new ATOM 0 HA SER A 67 -15.294 -9.266 -12.857 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.087 -10.625 -10.408 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.187 -9.820 -11.677 1.00 0.00 H new ATOM 0 HG SER A 67 -15.126 -8.611 -9.926 1.00 0.00 H new ATOM 1024 N LYS A 68 -16.057 -11.591 -13.871 1.00 0.00 N ATOM 1025 CA LYS A 68 -16.109 -12.779 -14.727 1.00 0.00 C ATOM 1026 C LYS A 68 -14.732 -13.075 -15.325 1.00 0.00 C ATOM 1027 O LYS A 68 -14.553 -14.084 -16.004 1.00 0.00 O ATOM 1028 CB LYS A 68 -17.165 -12.599 -15.833 1.00 0.00 C ATOM 1029 CG LYS A 68 -18.599 -12.496 -15.283 1.00 0.00 C ATOM 1030 CD LYS A 68 -19.652 -12.433 -16.398 1.00 0.00 C ATOM 1031 CE LYS A 68 -19.530 -11.149 -17.224 1.00 0.00 C ATOM 1032 NZ LYS A 68 -20.559 -11.083 -18.278 1.00 0.00 N ATOM 0 H LYS A 68 -16.808 -10.930 -14.069 1.00 0.00 H new ATOM 0 HA LYS A 68 -16.399 -13.634 -14.116 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -16.935 -11.700 -16.404 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.106 -13.440 -16.524 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.802 -13.355 -14.644 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.682 -11.607 -14.658 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -19.541 -13.298 -17.052 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -20.649 -12.490 -15.960 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -19.624 -10.283 -16.568 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.540 -11.100 -17.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -20.447 -10.201 -18.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -20.453 -11.896 -18.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -21.503 -11.105 -17.843 1.00 0.00 H new TER 1046 LYS A 68