USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 271 hydrogens (4 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 NoAdj-H: A 18 SEP H2 : A 18 SEP N : A 17 SER C :(H bumps) USER MOD NoAdj-H: A 18 SEP H : A 18 SEP N : A 17 SER C :(H bumps) USER MOD Set 1.1: A 19 SER OG : rot 180:sc= -0.182 USER MOD Set 1.2: A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLU N :NH3+ -179:sc= 0 (180deg=-0.000934) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= -0.0581 (180deg=-0.296) USER MOD Single : A 5 GLN : amide:sc= -0.658 K(o=-0.66,f=0) USER MOD Single : A 9 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.8) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 27:sc= 0.235 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0784 X(o=-0.078,f=0.0026) USER MOD Single : A 31 GLN : amide:sc= -0.16 K(o=-0.16,f=-0.74) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.0188 (180deg=-0.455) USER MOD Single : A 35 THR OG1 : rot 46:sc= 0.819 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 24.074 -6.118 4.030 1.00 15.12 N ATOM 2 CA GLU A 1 23.214 -6.172 5.240 1.00 14.81 C ATOM 3 C GLU A 1 22.043 -5.203 5.111 1.00 14.09 C ATOM 4 O GLU A 1 20.894 -5.566 5.363 1.00 14.04 O ATOM 5 CB GLU A 1 24.039 -5.833 6.485 1.00 15.49 C ATOM 6 CG GLU A 1 23.269 -5.985 7.787 1.00 16.22 C ATOM 7 CD GLU A 1 24.122 -5.677 9.004 1.00 16.63 C ATOM 8 OE1 GLU A 1 24.758 -6.611 9.537 1.00 17.01 O ATOM 9 OE2 GLU A 1 24.151 -4.501 9.425 1.00 16.69 O ATOM 0 H1 GLU A 1 24.856 -6.797 4.129 1.00 15.12 H new ATOM 0 H2 GLU A 1 23.509 -6.361 3.191 1.00 15.12 H new ATOM 0 H3 GLU A 1 24.460 -5.158 3.921 1.00 15.12 H new ATOM 0 HA GLU A 1 22.818 -7.183 5.338 1.00 14.81 H new ATOM 0 HB2 GLU A 1 24.917 -6.478 6.515 1.00 15.49 H new ATOM 0 HB3 GLU A 1 24.399 -4.807 6.403 1.00 15.49 H new ATOM 0 HG2 GLU A 1 22.405 -5.320 7.775 1.00 16.22 H new ATOM 0 HG3 GLU A 1 22.887 -7.003 7.863 1.00 16.22 H new ATOM 18 N LYS A 2 22.346 -3.970 4.719 1.00 13.72 N ATOM 19 CA LYS A 2 21.323 -2.944 4.552 1.00 13.19 C ATOM 20 C LYS A 2 21.624 -2.067 3.340 1.00 12.05 C ATOM 21 O LYS A 2 22.362 -1.085 3.441 1.00 11.96 O ATOM 22 CB LYS A 2 21.229 -2.078 5.809 1.00 13.87 C ATOM 23 CG LYS A 2 20.823 -2.847 7.056 1.00 14.32 C ATOM 24 CD LYS A 2 20.762 -1.938 8.272 1.00 15.08 C ATOM 25 CE LYS A 2 20.385 -2.706 9.529 1.00 15.61 C ATOM 26 NZ LYS A 2 20.328 -1.821 10.722 1.00 16.09 N ATOM 0 H LYS A 2 23.294 -3.656 4.511 1.00 13.72 H new ATOM 0 HA LYS A 2 20.368 -3.443 4.390 1.00 13.19 H new ATOM 0 HB2 LYS A 2 22.194 -1.603 5.985 1.00 13.87 H new ATOM 0 HB3 LYS A 2 20.508 -1.279 5.635 1.00 13.87 H new ATOM 0 HG2 LYS A 2 19.850 -3.312 6.898 1.00 14.32 H new ATOM 0 HG3 LYS A 2 21.535 -3.652 7.237 1.00 14.32 H new ATOM 0 HD2 LYS A 2 21.729 -1.457 8.416 1.00 15.08 H new ATOM 0 HD3 LYS A 2 20.034 -1.145 8.098 1.00 15.08 H new ATOM 0 HE2 LYS A 2 19.416 -3.185 9.385 1.00 15.61 H new ATOM 0 HE3 LYS A 2 21.111 -3.501 9.701 1.00 15.61 H new ATOM 0 HZ1 LYS A 2 20.068 -2.382 11.558 1.00 16.09 H new ATOM 0 HZ2 LYS A 2 21.259 -1.383 10.874 1.00 16.09 H new ATOM 0 HZ3 LYS A 2 19.617 -1.078 10.569 1.00 16.09 H new ATOM 40 N LEU A 3 21.056 -2.433 2.196 1.00 11.32 N ATOM 41 CA LEU A 3 21.263 -1.681 0.967 1.00 10.29 C ATOM 42 C LEU A 3 20.061 -0.803 0.652 1.00 9.21 C ATOM 43 O LEU A 3 19.775 -0.510 -0.510 1.00 9.00 O ATOM 44 CB LEU A 3 21.547 -2.628 -0.203 1.00 10.27 C ATOM 45 CG LEU A 3 22.974 -3.184 -0.275 1.00 10.39 C ATOM 46 CD1 LEU A 3 23.991 -2.054 -0.364 1.00 10.65 C ATOM 47 CD2 LEU A 3 23.266 -4.073 0.925 1.00 10.84 C ATOM 0 H LEU A 3 20.449 -3.246 2.096 1.00 11.32 H new ATOM 0 HA LEU A 3 22.128 -1.035 1.114 1.00 10.29 H new ATOM 0 HB2 LEU A 3 20.852 -3.466 -0.145 1.00 10.27 H new ATOM 0 HB3 LEU A 3 21.334 -2.101 -1.133 1.00 10.27 H new ATOM 0 HG LEU A 3 23.057 -3.789 -1.178 1.00 10.39 H new ATOM 0 HD11 LEU A 3 24.996 -2.472 -0.414 1.00 10.65 H new ATOM 0 HD12 LEU A 3 23.799 -1.462 -1.259 1.00 10.65 H new ATOM 0 HD13 LEU A 3 23.906 -1.418 0.517 1.00 10.65 H new ATOM 0 HD21 LEU A 3 24.284 -4.457 0.854 1.00 10.84 H new ATOM 0 HD22 LEU A 3 23.160 -3.493 1.842 1.00 10.84 H new ATOM 0 HD23 LEU A 3 22.564 -4.907 0.940 1.00 10.84 H new ATOM 59 N LYS A 4 19.370 -0.378 1.699 1.00 8.75 N ATOM 60 CA LYS A 4 18.196 0.476 1.552 1.00 7.88 C ATOM 61 C LYS A 4 18.602 1.942 1.470 1.00 6.56 C ATOM 62 O LYS A 4 19.440 2.407 2.245 1.00 6.12 O ATOM 63 CB LYS A 4 17.236 0.261 2.725 1.00 8.37 C ATOM 64 CG LYS A 4 16.763 -1.178 2.873 1.00 9.77 C ATOM 65 CD LYS A 4 15.993 -1.638 1.646 1.00 10.39 C ATOM 66 CE LYS A 4 15.565 -3.092 1.770 1.00 11.36 C ATOM 67 NZ LYS A 4 14.774 -3.338 3.006 1.00 12.01 N ATOM 0 H LYS A 4 19.602 -0.611 2.665 1.00 8.75 H new ATOM 0 HA LYS A 4 17.690 0.206 0.625 1.00 7.88 H new ATOM 0 HB2 LYS A 4 17.729 0.569 3.647 1.00 8.37 H new ATOM 0 HB3 LYS A 4 16.368 0.908 2.596 1.00 8.37 H new ATOM 0 HG2 LYS A 4 17.622 -1.830 3.031 1.00 9.77 H new ATOM 0 HG3 LYS A 4 16.130 -1.265 3.756 1.00 9.77 H new ATOM 0 HD2 LYS A 4 15.113 -1.009 1.510 1.00 10.39 H new ATOM 0 HD3 LYS A 4 16.613 -1.515 0.758 1.00 10.39 H new ATOM 0 HE2 LYS A 4 14.972 -3.371 0.899 1.00 11.36 H new ATOM 0 HE3 LYS A 4 16.448 -3.731 1.772 1.00 11.36 H new ATOM 0 HZ1 LYS A 4 14.319 -4.271 2.947 1.00 12.01 H new ATOM 0 HZ2 LYS A 4 15.404 -3.311 3.833 1.00 12.01 H new ATOM 0 HZ3 LYS A 4 14.045 -2.603 3.103 1.00 12.01 H new ATOM 81 N GLN A 5 18.005 2.665 0.525 1.00 6.18 N ATOM 82 CA GLN A 5 18.304 4.081 0.331 1.00 5.10 C ATOM 83 C GLN A 5 19.784 4.289 0.022 1.00 4.85 C ATOM 84 O GLN A 5 20.572 3.343 0.038 1.00 5.41 O ATOM 85 CB GLN A 5 17.913 4.886 1.573 1.00 5.37 C ATOM 86 CG GLN A 5 16.429 4.814 1.903 1.00 6.31 C ATOM 87 CD GLN A 5 16.028 5.738 3.039 1.00 6.77 C ATOM 88 OE1 GLN A 5 14.909 6.248 3.069 1.00 6.74 O ATOM 89 NE2 GLN A 5 16.935 5.954 3.987 1.00 7.51 N ATOM 0 H GLN A 5 17.309 2.291 -0.120 1.00 6.18 H new ATOM 0 HA GLN A 5 17.720 4.434 -0.519 1.00 5.10 H new ATOM 0 HB2 GLN A 5 18.485 4.522 2.427 1.00 5.37 H new ATOM 0 HB3 GLN A 5 18.193 5.929 1.423 1.00 5.37 H new ATOM 0 HG2 GLN A 5 15.852 5.069 1.014 1.00 6.31 H new ATOM 0 HG3 GLN A 5 16.171 3.789 2.168 1.00 6.31 H new ATOM 0 HE21 GLN A 5 17.852 5.512 3.925 1.00 7.51 H new ATOM 0 HE22 GLN A 5 16.714 6.562 4.776 1.00 7.51 H new ATOM 98 N ASP A 6 20.154 5.532 -0.262 1.00 4.37 N ATOM 99 CA ASP A 6 21.539 5.863 -0.570 1.00 4.44 C ATOM 100 C ASP A 6 21.732 7.376 -0.613 1.00 3.95 C ATOM 101 O ASP A 6 20.924 8.127 -0.067 1.00 4.03 O ATOM 102 CB ASP A 6 21.948 5.239 -1.909 1.00 5.16 C ATOM 103 CG ASP A 6 23.440 4.985 -1.999 1.00 6.02 C ATOM 104 OD1 ASP A 6 23.928 4.056 -1.319 1.00 6.42 O ATOM 105 OD2 ASP A 6 24.124 5.716 -2.747 1.00 6.55 O ATOM 0 H ASP A 6 19.515 6.326 -0.285 1.00 4.37 H new ATOM 0 HA ASP A 6 22.174 5.456 0.217 1.00 4.44 H new ATOM 0 HB2 ASP A 6 21.414 4.299 -2.046 1.00 5.16 H new ATOM 0 HB3 ASP A 6 21.645 5.899 -2.722 1.00 5.16 H new ATOM 110 N ILE A 7 22.809 7.815 -1.253 1.00 4.03 N ATOM 111 CA ILE A 7 23.109 9.229 -1.363 1.00 4.18 C ATOM 112 C ILE A 7 23.170 9.664 -2.824 1.00 4.03 C ATOM 113 O ILE A 7 23.034 10.844 -3.141 1.00 4.59 O ATOM 114 CB ILE A 7 24.452 9.551 -0.685 1.00 5.06 C ATOM 115 CG1 ILE A 7 24.700 11.056 -0.694 1.00 5.77 C ATOM 116 CG2 ILE A 7 25.587 8.809 -1.377 1.00 5.52 C ATOM 117 CD1 ILE A 7 25.903 11.483 0.121 1.00 6.57 C ATOM 0 H ILE A 7 23.490 7.205 -1.705 1.00 4.03 H new ATOM 0 HA ILE A 7 22.309 9.774 -0.863 1.00 4.18 H new ATOM 0 HB ILE A 7 24.411 9.217 0.352 1.00 5.06 H new ATOM 0 HG12 ILE A 7 24.835 11.386 -1.724 1.00 5.77 H new ATOM 0 HG13 ILE A 7 23.815 11.563 -0.310 1.00 5.77 H new ATOM 0 HG21 ILE A 7 26.530 9.047 -0.886 1.00 5.52 H new ATOM 0 HG22 ILE A 7 25.409 7.735 -1.319 1.00 5.52 H new ATOM 0 HG23 ILE A 7 25.636 9.112 -2.423 1.00 5.52 H new ATOM 0 HD11 ILE A 7 26.014 12.566 0.066 1.00 6.57 H new ATOM 0 HD12 ILE A 7 25.763 11.185 1.160 1.00 6.57 H new ATOM 0 HD13 ILE A 7 26.799 11.006 -0.276 1.00 6.57 H new ATOM 129 N LEU A 8 23.366 8.693 -3.708 1.00 3.78 N ATOM 130 CA LEU A 8 23.456 8.972 -5.136 1.00 4.24 C ATOM 131 C LEU A 8 22.423 8.175 -5.925 1.00 4.15 C ATOM 132 O LEU A 8 22.225 8.411 -7.116 1.00 4.91 O ATOM 133 CB LEU A 8 24.862 8.654 -5.648 1.00 5.10 C ATOM 134 CG LEU A 8 25.251 9.363 -6.944 1.00 6.03 C ATOM 135 CD1 LEU A 8 25.240 10.869 -6.744 1.00 6.66 C ATOM 136 CD2 LEU A 8 26.620 8.896 -7.418 1.00 6.63 C ATOM 0 H LEU A 8 23.465 7.708 -3.462 1.00 3.78 H new ATOM 0 HA LEU A 8 23.249 10.032 -5.282 1.00 4.24 H new ATOM 0 HB2 LEU A 8 25.583 8.920 -4.875 1.00 5.10 H new ATOM 0 HB3 LEU A 8 24.942 7.578 -5.802 1.00 5.10 H new ATOM 0 HG LEU A 8 24.519 9.110 -7.711 1.00 6.03 H new ATOM 0 HD11 LEU A 8 25.519 11.362 -7.675 1.00 6.66 H new ATOM 0 HD12 LEU A 8 24.241 11.190 -6.449 1.00 6.66 H new ATOM 0 HD13 LEU A 8 25.952 11.138 -5.964 1.00 6.66 H new ATOM 0 HD21 LEU A 8 26.880 9.412 -8.342 1.00 6.63 H new ATOM 0 HD22 LEU A 8 27.365 9.120 -6.655 1.00 6.63 H new ATOM 0 HD23 LEU A 8 26.596 7.821 -7.597 1.00 6.63 H new ATOM 148 N ASN A 9 21.768 7.233 -5.257 1.00 3.64 N ATOM 149 CA ASN A 9 20.754 6.406 -5.902 1.00 4.09 C ATOM 150 C ASN A 9 19.552 6.209 -4.988 1.00 3.65 C ATOM 151 O ASN A 9 18.742 5.306 -5.200 1.00 4.39 O ATOM 152 CB ASN A 9 21.338 5.048 -6.295 1.00 4.82 C ATOM 153 CG ASN A 9 21.874 4.279 -5.105 1.00 5.28 C ATOM 154 OD1 ASN A 9 23.061 4.350 -4.791 1.00 5.88 O ATOM 155 ND2 ASN A 9 20.997 3.536 -4.436 1.00 5.40 N ATOM 0 H ASN A 9 21.920 7.023 -4.271 1.00 3.64 H new ATOM 0 HA ASN A 9 20.424 6.923 -6.803 1.00 4.09 H new ATOM 0 HB2 ASN A 9 20.569 4.455 -6.790 1.00 4.82 H new ATOM 0 HB3 ASN A 9 22.140 5.197 -7.018 1.00 4.82 H new ATOM 0 HD21 ASN A 9 21.300 2.995 -3.626 1.00 5.40 H new ATOM 0 HD22 ASN A 9 20.022 3.507 -4.733 1.00 5.40 H new ATOM 162 N LEU A 10 19.443 7.059 -3.968 1.00 2.89 N ATOM 163 CA LEU A 10 18.337 6.990 -3.019 1.00 3.16 C ATOM 164 C LEU A 10 16.993 6.971 -3.741 1.00 3.00 C ATOM 165 O LEU A 10 16.436 8.017 -4.074 1.00 3.34 O ATOM 166 CB LEU A 10 18.392 8.168 -2.044 1.00 4.00 C ATOM 167 CG LEU A 10 18.494 9.550 -2.697 1.00 4.95 C ATOM 168 CD1 LEU A 10 17.435 10.485 -2.136 1.00 5.53 C ATOM 169 CD2 LEU A 10 19.885 10.133 -2.491 1.00 5.82 C ATOM 0 H LEU A 10 20.111 7.806 -3.779 1.00 2.89 H new ATOM 0 HA LEU A 10 18.437 6.061 -2.457 1.00 3.16 H new ATOM 0 HB2 LEU A 10 17.499 8.144 -1.419 1.00 4.00 H new ATOM 0 HB3 LEU A 10 19.248 8.032 -1.383 1.00 4.00 H new ATOM 0 HG LEU A 10 18.321 9.440 -3.767 1.00 4.95 H new ATOM 0 HD11 LEU A 10 17.523 11.462 -2.612 1.00 5.53 H new ATOM 0 HD12 LEU A 10 16.445 10.073 -2.333 1.00 5.53 H new ATOM 0 HD13 LEU A 10 17.576 10.591 -1.060 1.00 5.53 H new ATOM 0 HD21 LEU A 10 19.941 11.115 -2.961 1.00 5.82 H new ATOM 0 HD22 LEU A 10 20.085 10.229 -1.424 1.00 5.82 H new ATOM 0 HD23 LEU A 10 20.627 9.473 -2.941 1.00 5.82 H new ATOM 181 N ARG A 11 16.484 5.773 -3.985 1.00 3.22 N ATOM 182 CA ARG A 11 15.204 5.609 -4.665 1.00 3.83 C ATOM 183 C ARG A 11 14.057 6.123 -3.798 1.00 3.89 C ATOM 184 O ARG A 11 12.937 6.294 -4.279 1.00 4.53 O ATOM 185 CB ARG A 11 14.973 4.138 -5.019 1.00 4.72 C ATOM 186 CG ARG A 11 16.026 3.561 -5.950 1.00 5.10 C ATOM 187 CD ARG A 11 15.712 2.122 -6.322 1.00 6.23 C ATOM 188 NE ARG A 11 16.718 1.559 -7.220 1.00 6.90 N ATOM 189 CZ ARG A 11 16.707 0.299 -7.646 1.00 7.99 C ATOM 190 NH1 ARG A 11 15.746 -0.529 -7.255 1.00 8.52 N ATOM 191 NH2 ARG A 11 17.655 -0.134 -8.464 1.00 8.73 N ATOM 0 H ARG A 11 16.937 4.898 -3.723 1.00 3.22 H new ATOM 0 HA ARG A 11 15.232 6.195 -5.584 1.00 3.83 H new ATOM 0 HB2 ARG A 11 14.952 3.551 -4.101 1.00 4.72 H new ATOM 0 HB3 ARG A 11 13.993 4.035 -5.485 1.00 4.72 H new ATOM 0 HG2 ARG A 11 16.085 4.167 -6.854 1.00 5.10 H new ATOM 0 HG3 ARG A 11 17.003 3.609 -5.470 1.00 5.10 H new ATOM 0 HD2 ARG A 11 15.654 1.517 -5.417 1.00 6.23 H new ATOM 0 HD3 ARG A 11 14.733 2.076 -6.799 1.00 6.23 H new ATOM 0 HE ARG A 11 17.472 2.167 -7.539 1.00 6.90 H new ATOM 0 HH11 ARG A 11 15.013 -0.200 -6.626 1.00 8.52 H new ATOM 0 HH12 ARG A 11 15.740 -1.495 -7.583 1.00 8.52 H new ATOM 0 HH21 ARG A 11 18.395 0.499 -8.768 1.00 8.73 H new ATOM 0 HH22 ARG A 11 17.645 -1.101 -8.790 1.00 8.73 H new ATOM 205 N THR A 12 14.349 6.371 -2.521 1.00 3.70 N ATOM 206 CA THR A 12 13.345 6.867 -1.581 1.00 4.16 C ATOM 207 C THR A 12 12.194 5.876 -1.432 1.00 3.92 C ATOM 208 O THR A 12 11.343 5.759 -2.315 1.00 4.67 O ATOM 209 CB THR A 12 12.785 8.234 -2.019 1.00 5.12 C ATOM 210 OG1 THR A 12 13.857 9.160 -2.229 1.00 5.44 O ATOM 211 CG2 THR A 12 11.828 8.789 -0.974 1.00 5.83 C ATOM 0 H THR A 12 15.274 6.236 -2.114 1.00 3.70 H new ATOM 0 HA THR A 12 13.845 6.985 -0.619 1.00 4.16 H new ATOM 0 HB THR A 12 12.238 8.094 -2.952 1.00 5.12 H new ATOM 0 HG1 THR A 12 13.492 10.025 -2.509 1.00 5.44 H new ATOM 0 HG21 THR A 12 11.446 9.754 -1.306 1.00 5.83 H new ATOM 0 HG22 THR A 12 10.997 8.097 -0.838 1.00 5.83 H new ATOM 0 HG23 THR A 12 12.355 8.913 -0.028 1.00 5.83 H new ATOM 219 N ASP A 13 12.170 5.167 -0.308 1.00 3.22 N ATOM 220 CA ASP A 13 11.126 4.183 -0.048 1.00 3.33 C ATOM 221 C ASP A 13 10.634 4.267 1.395 1.00 3.09 C ATOM 222 O ASP A 13 11.430 4.282 2.335 1.00 3.22 O ATOM 223 CB ASP A 13 11.649 2.774 -0.341 1.00 3.75 C ATOM 224 CG ASP A 13 12.918 2.457 0.425 1.00 4.30 C ATOM 225 OD1 ASP A 13 14.015 2.756 -0.092 1.00 4.78 O ATOM 226 OD2 ASP A 13 12.816 1.910 1.543 1.00 4.64 O ATOM 0 H ASP A 13 12.861 5.256 0.437 1.00 3.22 H new ATOM 0 HA ASP A 13 10.285 4.401 -0.706 1.00 3.33 H new ATOM 0 HB2 ASP A 13 10.881 2.044 -0.085 1.00 3.75 H new ATOM 0 HB3 ASP A 13 11.839 2.675 -1.410 1.00 3.75 H new ATOM 231 N ILE A 14 9.314 4.320 1.561 1.00 3.29 N ATOM 232 CA ILE A 14 8.707 4.396 2.886 1.00 3.41 C ATOM 233 C ILE A 14 7.311 3.776 2.881 1.00 3.25 C ATOM 234 O ILE A 14 6.544 3.960 1.936 1.00 3.86 O ATOM 235 CB ILE A 14 8.618 5.857 3.380 1.00 4.31 C ATOM 236 CG1 ILE A 14 8.087 5.908 4.816 1.00 4.96 C ATOM 237 CG2 ILE A 14 7.736 6.684 2.455 1.00 4.85 C ATOM 238 CD1 ILE A 14 9.037 5.316 5.837 1.00 5.69 C ATOM 0 H ILE A 14 8.644 4.312 0.792 1.00 3.29 H new ATOM 0 HA ILE A 14 9.347 3.834 3.567 1.00 3.41 H new ATOM 0 HB ILE A 14 9.621 6.283 3.368 1.00 4.31 H new ATOM 0 HG12 ILE A 14 7.882 6.945 5.082 1.00 4.96 H new ATOM 0 HG13 ILE A 14 7.138 5.373 4.863 1.00 4.96 H new ATOM 0 HG21 ILE A 14 7.686 7.710 2.821 1.00 4.85 H new ATOM 0 HG22 ILE A 14 8.156 6.677 1.449 1.00 4.85 H new ATOM 0 HG23 ILE A 14 6.733 6.258 2.432 1.00 4.85 H new ATOM 0 HD11 ILE A 14 8.594 5.387 6.830 1.00 5.69 H new ATOM 0 HD12 ILE A 14 9.223 4.269 5.597 1.00 5.69 H new ATOM 0 HD13 ILE A 14 9.978 5.865 5.819 1.00 5.69 H new ATOM 250 N SER A 15 6.991 3.035 3.939 1.00 2.93 N ATOM 251 CA SER A 15 5.689 2.382 4.051 1.00 3.17 C ATOM 252 C SER A 15 4.706 3.239 4.845 1.00 3.04 C ATOM 253 O SER A 15 3.739 2.727 5.409 1.00 3.46 O ATOM 254 CB SER A 15 5.839 1.012 4.716 1.00 3.92 C ATOM 255 OG SER A 15 6.689 0.166 3.958 1.00 4.48 O ATOM 0 H SER A 15 7.614 2.872 4.730 1.00 2.93 H new ATOM 0 HA SER A 15 5.293 2.252 3.044 1.00 3.17 H new ATOM 0 HB2 SER A 15 6.245 1.134 5.720 1.00 3.92 H new ATOM 0 HB3 SER A 15 4.859 0.547 4.822 1.00 3.92 H new ATOM 0 HG SER A 15 6.770 -0.702 4.405 1.00 4.48 H new ATOM 261 N THR A 16 4.953 4.545 4.877 1.00 3.11 N ATOM 262 CA THR A 16 4.086 5.467 5.603 1.00 3.49 C ATOM 263 C THR A 16 3.220 6.276 4.642 1.00 3.37 C ATOM 264 O THR A 16 3.704 7.182 3.963 1.00 3.91 O ATOM 265 CB THR A 16 4.896 6.434 6.486 1.00 4.41 C ATOM 266 OG1 THR A 16 5.707 5.693 7.406 1.00 5.01 O ATOM 267 CG2 THR A 16 3.975 7.368 7.257 1.00 4.91 C ATOM 0 H THR A 16 5.744 4.988 4.410 1.00 3.11 H new ATOM 0 HA THR A 16 3.447 4.859 6.243 1.00 3.49 H new ATOM 0 HB THR A 16 5.534 7.034 5.837 1.00 4.41 H new ATOM 0 HG1 THR A 16 6.221 6.314 7.963 1.00 5.01 H new ATOM 0 HG21 THR A 16 4.572 8.041 7.873 1.00 4.91 H new ATOM 0 HG22 THR A 16 3.378 7.951 6.556 1.00 4.91 H new ATOM 0 HG23 THR A 16 3.314 6.782 7.896 1.00 4.91 H new ATOM 275 N SER A 17 1.935 5.937 4.589 1.00 3.24 N ATOM 276 CA SER A 17 0.997 6.629 3.712 1.00 3.69 C ATOM 277 C SER A 17 -0.411 6.607 4.300 1.00 3.45 C ATOM 278 O SER A 17 -0.634 6.058 5.380 1.00 3.97 O ATOM 279 CB SER A 17 0.992 5.982 2.326 1.00 4.53 C ATOM 280 OG SER A 17 2.281 6.024 1.738 1.00 5.14 O ATOM 0 H SER A 17 1.520 5.188 5.143 1.00 3.24 H new ATOM 0 HA SER A 17 1.319 7.666 3.621 1.00 3.69 H new ATOM 0 HB2 SER A 17 0.659 4.947 2.406 1.00 4.53 H new ATOM 0 HB3 SER A 17 0.279 6.498 1.683 1.00 4.53 H new ATOM 0 HG SER A 17 2.251 5.603 0.854 1.00 5.14 H new HETATM 286 N SEP A 18 -1.358 7.205 3.583 1.00 3.24 N HETATM 287 CA SEP A 18 -2.746 7.251 4.035 1.00 3.51 C HETATM 288 CB SEP A 18 -2.934 8.371 5.063 1.00 4.22 C HETATM 289 OG SEP A 18 -4.249 8.364 5.591 1.00 4.91 O HETATM 290 C SEP A 18 -3.692 7.463 2.858 1.00 3.38 C HETATM 291 O SEP A 18 -4.547 6.623 2.576 1.00 3.80 O HETATM 292 P SEP A 18 -4.312 9.360 6.855 1.00 5.94 P HETATM 293 O1P SEP A 18 -5.697 9.119 7.640 1.00 6.40 O HETATM 294 O2P SEP A 18 -3.184 8.931 7.918 1.00 6.72 O HETATM 295 O3P SEP A 18 -3.867 10.832 6.384 1.00 6.40 O HETATM 0 HB3 SEP A 18 -2.213 8.251 5.872 1.00 4.22 H new HETATM 0 HB2 SEP A 18 -2.731 9.335 4.596 1.00 4.22 H new HETATM 0 HA SEP A 18 -2.982 6.295 4.503 1.00 3.51 H new ATOM 300 N SER A 19 -3.531 8.592 2.174 1.00 3.41 N ATOM 301 CA SER A 19 -4.368 8.918 1.026 1.00 3.79 C ATOM 302 C SER A 19 -4.042 8.016 -0.159 1.00 3.53 C ATOM 303 O SER A 19 -4.920 7.347 -0.704 1.00 4.02 O ATOM 304 CB SER A 19 -4.174 10.385 0.632 1.00 4.61 C ATOM 305 OG SER A 19 -2.827 10.642 0.270 1.00 5.16 O ATOM 0 H SER A 19 -2.828 9.297 2.396 1.00 3.41 H new ATOM 0 HA SER A 19 -5.409 8.756 1.307 1.00 3.79 H new ATOM 0 HB2 SER A 19 -4.831 10.631 -0.202 1.00 4.61 H new ATOM 0 HB3 SER A 19 -4.460 11.029 1.464 1.00 4.61 H new ATOM 0 HG SER A 19 -2.729 11.585 0.021 1.00 5.16 H new ATOM 311 N SER A 20 -2.773 8.003 -0.553 1.00 3.31 N ATOM 312 CA SER A 20 -2.327 7.185 -1.673 1.00 3.51 C ATOM 313 C SER A 20 -1.411 6.063 -1.193 1.00 3.30 C ATOM 314 O SER A 20 -0.442 6.306 -0.473 1.00 3.79 O ATOM 315 CB SER A 20 -1.601 8.048 -2.706 1.00 4.38 C ATOM 316 OG SER A 20 -2.453 9.059 -3.215 1.00 4.81 O ATOM 0 H SER A 20 -2.035 8.551 -0.112 1.00 3.31 H new ATOM 0 HA SER A 20 -3.206 6.739 -2.139 1.00 3.51 H new ATOM 0 HB2 SER A 20 -0.722 8.504 -2.250 1.00 4.38 H new ATOM 0 HB3 SER A 20 -1.247 7.421 -3.524 1.00 4.38 H new ATOM 0 HG SER A 20 -1.965 9.598 -3.872 1.00 4.81 H new ATOM 322 N ILE A 21 -1.725 4.835 -1.597 1.00 3.09 N ATOM 323 CA ILE A 21 -0.931 3.676 -1.208 1.00 3.24 C ATOM 324 C ILE A 21 -0.498 2.874 -2.432 1.00 2.99 C ATOM 325 O ILE A 21 -1.234 2.771 -3.412 1.00 3.33 O ATOM 326 CB ILE A 21 -1.718 2.757 -0.246 1.00 4.14 C ATOM 327 CG1 ILE A 21 -0.854 1.570 0.192 1.00 4.88 C ATOM 328 CG2 ILE A 21 -3.000 2.268 -0.906 1.00 4.64 C ATOM 329 CD1 ILE A 21 0.336 1.968 1.036 1.00 5.67 C ATOM 0 H ILE A 21 -2.524 4.618 -2.193 1.00 3.09 H new ATOM 0 HA ILE A 21 -0.045 4.050 -0.694 1.00 3.24 H new ATOM 0 HB ILE A 21 -1.984 3.334 0.640 1.00 4.14 H new ATOM 0 HG12 ILE A 21 -1.471 0.870 0.756 1.00 4.88 H new ATOM 0 HG13 ILE A 21 -0.501 1.042 -0.694 1.00 4.88 H new ATOM 0 HG21 ILE A 21 -3.542 1.622 -0.215 1.00 4.64 H new ATOM 0 HG22 ILE A 21 -3.623 3.123 -1.168 1.00 4.64 H new ATOM 0 HG23 ILE A 21 -2.754 1.708 -1.808 1.00 4.64 H new ATOM 0 HD11 ILE A 21 0.902 1.078 1.310 1.00 5.67 H new ATOM 0 HD12 ILE A 21 0.975 2.644 0.468 1.00 5.67 H new ATOM 0 HD13 ILE A 21 -0.010 2.470 1.940 1.00 5.67 H new ATOM 341 N SER A 22 0.705 2.308 -2.369 1.00 3.04 N ATOM 342 CA SER A 22 1.235 1.515 -3.473 1.00 3.37 C ATOM 343 C SER A 22 0.418 0.244 -3.672 1.00 3.04 C ATOM 344 O SER A 22 -0.073 -0.347 -2.711 1.00 3.30 O ATOM 345 CB SER A 22 2.701 1.157 -3.215 1.00 4.25 C ATOM 346 OG SER A 22 3.220 0.355 -4.263 1.00 4.88 O ATOM 0 H SER A 22 1.330 2.384 -1.566 1.00 3.04 H new ATOM 0 HA SER A 22 1.168 2.114 -4.381 1.00 3.37 H new ATOM 0 HB2 SER A 22 3.291 2.069 -3.124 1.00 4.25 H new ATOM 0 HB3 SER A 22 2.788 0.625 -2.268 1.00 4.25 H new ATOM 0 HG SER A 22 4.158 0.140 -4.077 1.00 4.88 H new ATOM 352 N SER A 23 0.277 -0.171 -4.927 1.00 3.13 N ATOM 353 CA SER A 23 -0.482 -1.372 -5.256 1.00 3.35 C ATOM 354 C SER A 23 0.233 -2.189 -6.325 1.00 3.36 C ATOM 355 O SER A 23 0.566 -1.675 -7.394 1.00 3.88 O ATOM 356 CB SER A 23 -1.885 -1.000 -5.738 1.00 4.13 C ATOM 357 OG SER A 23 -1.827 -0.199 -6.905 1.00 4.88 O ATOM 0 H SER A 23 0.679 0.307 -5.733 1.00 3.13 H new ATOM 0 HA SER A 23 -0.565 -1.977 -4.353 1.00 3.35 H new ATOM 0 HB2 SER A 23 -2.455 -1.906 -5.943 1.00 4.13 H new ATOM 0 HB3 SER A 23 -2.413 -0.463 -4.950 1.00 4.13 H new ATOM 0 HG SER A 23 -1.004 -0.399 -7.398 1.00 4.88 H new ATOM 363 N SER A 24 0.467 -3.464 -6.031 1.00 3.40 N ATOM 364 CA SER A 24 1.142 -4.355 -6.968 1.00 3.90 C ATOM 365 C SER A 24 0.143 -5.301 -7.628 1.00 3.96 C ATOM 366 O SER A 24 0.236 -5.581 -8.823 1.00 4.39 O ATOM 367 CB SER A 24 2.225 -5.160 -6.246 1.00 4.61 C ATOM 368 OG SER A 24 1.673 -5.929 -5.193 1.00 5.15 O ATOM 0 H SER A 24 0.199 -3.904 -5.151 1.00 3.40 H new ATOM 0 HA SER A 24 1.608 -3.747 -7.743 1.00 3.90 H new ATOM 0 HB2 SER A 24 2.727 -5.817 -6.956 1.00 4.61 H new ATOM 0 HB3 SER A 24 2.981 -4.483 -5.848 1.00 4.61 H new ATOM 0 HG SER A 24 2.385 -6.435 -4.749 1.00 5.15 H new ATOM 374 N GLU A 25 -0.808 -5.791 -6.840 1.00 4.07 N ATOM 375 CA GLU A 25 -1.824 -6.706 -7.345 1.00 4.62 C ATOM 376 C GLU A 25 -3.209 -6.309 -6.845 1.00 4.68 C ATOM 377 O GLU A 25 -3.362 -5.325 -6.119 1.00 5.17 O ATOM 378 CB GLU A 25 -1.508 -8.141 -6.919 1.00 5.35 C ATOM 379 CG GLU A 25 -0.173 -8.651 -7.433 1.00 5.98 C ATOM 380 CD GLU A 25 0.086 -10.096 -7.054 1.00 6.66 C ATOM 381 OE1 GLU A 25 0.610 -10.335 -5.945 1.00 7.09 O ATOM 382 OE2 GLU A 25 -0.233 -10.990 -7.866 1.00 7.02 O ATOM 0 H GLU A 25 -0.896 -5.569 -5.848 1.00 4.07 H new ATOM 0 HA GLU A 25 -1.819 -6.649 -8.433 1.00 4.62 H new ATOM 0 HB2 GLU A 25 -1.513 -8.197 -5.830 1.00 5.35 H new ATOM 0 HB3 GLU A 25 -2.300 -8.799 -7.276 1.00 5.35 H new ATOM 0 HG2 GLU A 25 -0.145 -8.554 -8.518 1.00 5.98 H new ATOM 0 HG3 GLU A 25 0.627 -8.026 -7.036 1.00 5.98 H new ATOM 389 N GLU A 26 -4.217 -7.084 -7.237 1.00 4.59 N ATOM 390 CA GLU A 26 -5.591 -6.817 -6.829 1.00 4.97 C ATOM 391 C GLU A 26 -5.861 -7.374 -5.436 1.00 5.28 C ATOM 392 O GLU A 26 -5.779 -8.581 -5.212 1.00 5.48 O ATOM 393 CB GLU A 26 -6.568 -7.429 -7.834 1.00 5.48 C ATOM 394 CG GLU A 26 -6.383 -6.913 -9.253 1.00 6.31 C ATOM 395 CD GLU A 26 -7.297 -7.603 -10.246 1.00 7.06 C ATOM 396 OE1 GLU A 26 -8.456 -7.165 -10.390 1.00 7.57 O ATOM 397 OE2 GLU A 26 -6.851 -8.582 -10.881 1.00 7.35 O ATOM 0 H GLU A 26 -4.107 -7.902 -7.837 1.00 4.59 H new ATOM 0 HA GLU A 26 -5.735 -5.737 -6.803 1.00 4.97 H new ATOM 0 HB2 GLU A 26 -6.448 -8.512 -7.832 1.00 5.48 H new ATOM 0 HB3 GLU A 26 -7.588 -7.220 -7.510 1.00 5.48 H new ATOM 0 HG2 GLU A 26 -6.574 -5.840 -9.274 1.00 6.31 H new ATOM 0 HG3 GLU A 26 -5.346 -7.058 -9.557 1.00 6.31 H new ATOM 404 N ASN A 27 -6.183 -6.484 -4.501 1.00 5.74 N ATOM 405 CA ASN A 27 -6.466 -6.887 -3.129 1.00 6.47 C ATOM 406 C ASN A 27 -7.609 -6.061 -2.548 1.00 6.96 C ATOM 407 O ASN A 27 -7.793 -6.005 -1.331 1.00 7.28 O ATOM 408 CB ASN A 27 -5.214 -6.733 -2.264 1.00 7.13 C ATOM 409 CG ASN A 27 -4.731 -5.297 -2.191 1.00 7.39 C ATOM 410 OD1 ASN A 27 -3.929 -4.857 -3.014 1.00 7.45 O ATOM 411 ND2 ASN A 27 -5.219 -4.560 -1.199 1.00 7.88 N ATOM 0 H ASN A 27 -6.254 -5.481 -4.669 1.00 5.74 H new ATOM 0 HA ASN A 27 -6.766 -7.935 -3.135 1.00 6.47 H new ATOM 0 HB2 ASN A 27 -5.425 -7.093 -1.257 1.00 7.13 H new ATOM 0 HB3 ASN A 27 -4.419 -7.360 -2.667 1.00 7.13 H new ATOM 0 HD21 ASN A 27 -4.930 -3.587 -1.097 1.00 7.88 H new ATOM 0 HD22 ASN A 27 -5.882 -4.967 -0.540 1.00 7.88 H new ATOM 418 N ASP A 28 -8.380 -5.425 -3.426 1.00 7.36 N ATOM 419 CA ASP A 28 -9.506 -4.600 -3.001 1.00 8.13 C ATOM 420 C ASP A 28 -10.834 -5.280 -3.319 1.00 8.78 C ATOM 421 O ASP A 28 -11.858 -4.615 -3.478 1.00 8.92 O ATOM 422 CB ASP A 28 -9.446 -3.230 -3.681 1.00 8.07 C ATOM 423 CG ASP A 28 -8.155 -2.491 -3.387 1.00 8.34 C ATOM 424 OD1 ASP A 28 -8.058 -1.875 -2.305 1.00 8.86 O ATOM 425 OD2 ASP A 28 -7.242 -2.527 -4.238 1.00 8.25 O ATOM 0 H ASP A 28 -8.245 -5.465 -4.436 1.00 7.36 H new ATOM 0 HA ASP A 28 -9.438 -4.467 -1.921 1.00 8.13 H new ATOM 0 HB2 ASP A 28 -9.550 -3.358 -4.758 1.00 8.07 H new ATOM 0 HB3 ASP A 28 -10.290 -2.626 -3.349 1.00 8.07 H new ATOM 430 N PHE A 29 -10.816 -6.608 -3.397 1.00 9.40 N ATOM 431 CA PHE A 29 -12.026 -7.370 -3.698 1.00 10.21 C ATOM 432 C PHE A 29 -11.835 -8.854 -3.404 1.00 10.89 C ATOM 433 O PHE A 29 -12.784 -9.553 -3.049 1.00 11.63 O ATOM 434 CB PHE A 29 -12.431 -7.172 -5.160 1.00 10.26 C ATOM 435 CG PHE A 29 -13.835 -7.614 -5.460 1.00 10.82 C ATOM 436 CD1 PHE A 29 -14.919 -6.883 -5.002 1.00 11.17 C ATOM 437 CD2 PHE A 29 -14.069 -8.761 -6.200 1.00 11.23 C ATOM 438 CE1 PHE A 29 -16.211 -7.287 -5.274 1.00 11.89 C ATOM 439 CE2 PHE A 29 -15.360 -9.171 -6.477 1.00 11.94 C ATOM 440 CZ PHE A 29 -16.431 -8.433 -6.013 1.00 12.27 C ATOM 0 H PHE A 29 -9.981 -7.177 -3.257 1.00 9.40 H new ATOM 0 HA PHE A 29 -12.822 -6.997 -3.054 1.00 10.21 H new ATOM 0 HB2 PHE A 29 -12.328 -6.118 -5.417 1.00 10.26 H new ATOM 0 HB3 PHE A 29 -11.741 -7.725 -5.798 1.00 10.26 H new ATOM 0 HD1 PHE A 29 -14.751 -5.986 -4.425 1.00 11.17 H new ATOM 0 HD2 PHE A 29 -13.234 -9.341 -6.565 1.00 11.23 H new ATOM 0 HE1 PHE A 29 -17.047 -6.709 -4.910 1.00 11.89 H new ATOM 0 HE2 PHE A 29 -15.531 -10.067 -7.055 1.00 11.94 H new ATOM 0 HZ PHE A 29 -17.440 -8.752 -6.228 1.00 12.27 H new ATOM 450 N TRP A 30 -10.604 -9.327 -3.551 1.00 10.80 N ATOM 451 CA TRP A 30 -10.282 -10.720 -3.296 1.00 11.62 C ATOM 452 C TRP A 30 -9.154 -10.824 -2.289 1.00 11.74 C ATOM 453 O TRP A 30 -8.128 -10.154 -2.402 1.00 11.80 O ATOM 454 CB TRP A 30 -9.885 -11.445 -4.580 1.00 11.83 C ATOM 455 CG TRP A 30 -10.994 -11.554 -5.575 1.00 12.25 C ATOM 456 CD1 TRP A 30 -11.110 -10.850 -6.729 1.00 11.96 C ATOM 457 CD2 TRP A 30 -12.135 -12.416 -5.507 1.00 13.24 C ATOM 458 NE1 TRP A 30 -12.258 -11.215 -7.393 1.00 12.75 N ATOM 459 CE2 TRP A 30 -12.904 -12.176 -6.662 1.00 13.51 C ATOM 460 CE3 TRP A 30 -12.584 -13.367 -4.584 1.00 14.04 C ATOM 461 CZ2 TRP A 30 -14.095 -12.852 -6.918 1.00 14.52 C ATOM 462 CZ3 TRP A 30 -13.766 -14.038 -4.840 1.00 15.00 C ATOM 463 CH2 TRP A 30 -14.509 -13.779 -5.999 1.00 15.22 C ATOM 0 H TRP A 30 -9.810 -8.760 -3.848 1.00 10.80 H new ATOM 0 HA TRP A 30 -11.177 -11.195 -2.894 1.00 11.62 H new ATOM 0 HB2 TRP A 30 -9.047 -10.920 -5.039 1.00 11.83 H new ATOM 0 HB3 TRP A 30 -9.535 -12.446 -4.328 1.00 11.83 H new ATOM 0 HD1 TRP A 30 -10.404 -10.110 -7.076 1.00 11.96 H new ATOM 0 HE1 TRP A 30 -12.576 -10.833 -8.284 1.00 12.75 H new ATOM 0 HE3 TRP A 30 -12.018 -13.573 -3.688 1.00 14.04 H new ATOM 0 HZ2 TRP A 30 -14.671 -12.652 -7.809 1.00 14.52 H new ATOM 0 HZ3 TRP A 30 -14.122 -14.774 -4.134 1.00 15.00 H new ATOM 0 HH2 TRP A 30 -15.427 -14.321 -6.171 1.00 15.22 H new ATOM 474 N GLN A 31 -9.366 -11.670 -1.306 1.00 12.00 N ATOM 475 CA GLN A 31 -8.380 -11.899 -0.256 1.00 12.38 C ATOM 476 C GLN A 31 -7.970 -13.370 -0.203 1.00 12.61 C ATOM 477 O GLN A 31 -8.373 -14.103 0.701 1.00 13.31 O ATOM 478 CB GLN A 31 -8.938 -11.461 1.098 1.00 13.13 C ATOM 479 CG GLN A 31 -9.378 -10.009 1.128 1.00 13.49 C ATOM 480 CD GLN A 31 -9.956 -9.608 2.471 1.00 14.38 C ATOM 481 OE1 GLN A 31 -9.238 -9.142 3.355 1.00 14.83 O ATOM 482 NE2 GLN A 31 -11.262 -9.790 2.630 1.00 14.79 N ATOM 0 H GLN A 31 -10.220 -12.219 -1.206 1.00 12.00 H new ATOM 0 HA GLN A 31 -7.496 -11.305 -0.486 1.00 12.38 H new ATOM 0 HB2 GLN A 31 -9.786 -12.095 1.355 1.00 13.13 H new ATOM 0 HB3 GLN A 31 -8.178 -11.619 1.864 1.00 13.13 H new ATOM 0 HG2 GLN A 31 -8.526 -9.369 0.896 1.00 13.49 H new ATOM 0 HG3 GLN A 31 -10.123 -9.842 0.350 1.00 13.49 H new ATOM 0 HE21 GLN A 31 -11.819 -10.180 1.869 1.00 14.79 H new ATOM 0 HE22 GLN A 31 -11.708 -9.540 3.513 1.00 14.79 H new ATOM 491 N PRO A 32 -7.166 -13.822 -1.182 1.00 12.22 N ATOM 492 CA PRO A 32 -6.699 -15.200 -1.248 1.00 12.64 C ATOM 493 C PRO A 32 -5.389 -15.405 -0.489 1.00 13.28 C ATOM 494 O PRO A 32 -5.017 -16.532 -0.166 1.00 13.53 O ATOM 495 CB PRO A 32 -6.500 -15.414 -2.747 1.00 12.20 C ATOM 496 CG PRO A 32 -6.162 -14.062 -3.299 1.00 11.50 C ATOM 497 CD PRO A 32 -6.654 -13.028 -2.310 1.00 11.56 C ATOM 0 HA PRO A 32 -7.396 -15.902 -0.789 1.00 12.64 H new ATOM 0 HB2 PRO A 32 -5.700 -16.129 -2.939 1.00 12.20 H new ATOM 0 HB3 PRO A 32 -7.402 -15.814 -3.210 1.00 12.20 H new ATOM 0 HG2 PRO A 32 -5.086 -13.967 -3.449 1.00 11.50 H new ATOM 0 HG3 PRO A 32 -6.633 -13.917 -4.271 1.00 11.50 H new ATOM 0 HD2 PRO A 32 -5.850 -12.363 -1.996 1.00 11.56 H new ATOM 0 HD3 PRO A 32 -7.434 -12.402 -2.743 1.00 11.56 H new ATOM 505 N LYS A 33 -4.695 -14.304 -0.207 1.00 13.73 N ATOM 506 CA LYS A 33 -3.430 -14.357 0.514 1.00 14.53 C ATOM 507 C LYS A 33 -3.635 -14.076 2.002 1.00 14.94 C ATOM 508 O LYS A 33 -4.635 -13.469 2.390 1.00 14.74 O ATOM 509 CB LYS A 33 -2.449 -13.340 -0.077 1.00 15.05 C ATOM 510 CG LYS A 33 -2.213 -13.515 -1.567 1.00 15.26 C ATOM 511 CD LYS A 33 -1.630 -14.881 -1.881 1.00 15.45 C ATOM 512 CE LYS A 33 -1.416 -15.067 -3.374 1.00 15.92 C ATOM 513 NZ LYS A 33 -2.702 -15.047 -4.124 1.00 15.96 N ATOM 0 H LYS A 33 -4.990 -13.363 -0.469 1.00 13.73 H new ATOM 0 HA LYS A 33 -3.019 -15.361 0.408 1.00 14.53 H new ATOM 0 HB2 LYS A 33 -2.827 -12.334 0.106 1.00 15.05 H new ATOM 0 HB3 LYS A 33 -1.496 -13.422 0.445 1.00 15.05 H new ATOM 0 HG2 LYS A 33 -3.154 -13.388 -2.103 1.00 15.26 H new ATOM 0 HG3 LYS A 33 -1.536 -12.739 -1.923 1.00 15.26 H new ATOM 0 HD2 LYS A 33 -0.681 -15.001 -1.359 1.00 15.45 H new ATOM 0 HD3 LYS A 33 -2.299 -15.657 -1.509 1.00 15.45 H new ATOM 0 HE2 LYS A 33 -0.764 -14.278 -3.749 1.00 15.92 H new ATOM 0 HE3 LYS A 33 -0.906 -16.013 -3.553 1.00 15.92 H new ATOM 0 HZ1 LYS A 33 -2.551 -15.424 -5.082 1.00 15.96 H new ATOM 0 HZ2 LYS A 33 -3.403 -15.634 -3.627 1.00 15.96 H new ATOM 0 HZ3 LYS A 33 -3.052 -14.070 -4.188 1.00 15.96 H new ATOM 527 N PRO A 34 -2.692 -14.517 2.858 1.00 15.67 N ATOM 528 CA PRO A 34 -2.780 -14.299 4.305 1.00 16.28 C ATOM 529 C PRO A 34 -2.998 -12.830 4.655 1.00 16.68 C ATOM 530 O PRO A 34 -2.079 -12.016 4.560 1.00 17.30 O ATOM 531 CB PRO A 34 -1.421 -14.775 4.825 1.00 17.11 C ATOM 532 CG PRO A 34 -0.948 -15.755 3.808 1.00 17.01 C ATOM 533 CD PRO A 34 -1.473 -15.266 2.487 1.00 16.12 C ATOM 0 HA PRO A 34 -3.626 -14.828 4.744 1.00 16.28 H new ATOM 0 HB2 PRO A 34 -0.723 -13.944 4.928 1.00 17.11 H new ATOM 0 HB3 PRO A 34 -1.513 -15.238 5.808 1.00 17.11 H new ATOM 0 HG2 PRO A 34 0.140 -15.813 3.798 1.00 17.01 H new ATOM 0 HG3 PRO A 34 -1.318 -16.756 4.029 1.00 17.01 H new ATOM 0 HD2 PRO A 34 -0.749 -14.629 1.978 1.00 16.12 H new ATOM 0 HD3 PRO A 34 -1.699 -16.093 1.814 1.00 16.12 H new ATOM 541 N THR A 35 -4.223 -12.502 5.053 1.00 16.46 N ATOM 542 CA THR A 35 -4.567 -11.132 5.413 1.00 16.96 C ATOM 543 C THR A 35 -3.977 -10.753 6.768 1.00 17.77 C ATOM 544 O THR A 35 -2.868 -10.180 6.790 1.00 18.01 O ATOM 545 CB THR A 35 -6.092 -10.930 5.450 1.00 16.93 C ATOM 546 OG1 THR A 35 -6.693 -11.881 6.338 1.00 16.96 O ATOM 547 CG2 THR A 35 -6.692 -11.078 4.059 1.00 16.89 C ATOM 548 OXT THR A 35 -4.629 -11.031 7.796 1.00 18.27 O ATOM 0 H THR A 35 -4.993 -13.166 5.134 1.00 16.46 H new ATOM 0 HA THR A 35 -4.142 -10.485 4.645 1.00 16.96 H new ATOM 0 HB THR A 35 -6.293 -9.921 5.810 1.00 16.93 H new ATOM 0 HG1 THR A 35 -6.178 -11.922 7.171 1.00 16.96 H new ATOM 0 HG21 THR A 35 -7.771 -10.931 4.111 1.00 16.89 H new ATOM 0 HG22 THR A 35 -6.256 -10.333 3.393 1.00 16.89 H new ATOM 0 HG23 THR A 35 -6.480 -12.076 3.675 1.00 16.89 H new TER 556 THR A 35