USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 709 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 5 GLN : amide:sc= -1.59! X(o=-0.9!,f=-1.3) USER MOD Set 1.2: A 72 THR OG1 : rot -15:sc= 0.69 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= 0.287 (180deg=-0.198) USER MOD Single : A 3 GLN : amide:sc= -1.55! X(o=-1.5!,f=-1.1) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 30:sc= -0.617 USER MOD Single : A 10 SER OG : rot 148:sc= 0.591 USER MOD Single : A 12 ASN : amide:sc= -0.176 K(o=-0.18,f=-8.3!) USER MOD Single : A 29 SER OG : rot 39:sc= 0.157 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot -144:sc= 0.329 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.88! K(o=-1.9!,f=-0.4) USER MOD Single : A 42 GLN : amide:sc= -0.0267 K(o=-0.027,f=-5.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -115:sc= 0.287 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0.172 X(o=0.17,f=-0.0013) USER MOD Single : A 63 LYS NZ :NH3+ -107:sc= 0.188 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.219 X(o=0.22,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 85:sc= -1.27 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 81 HIS : no HD1:sc=-0.00122 X(o=-0.0012,f=-0.0012) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 83 HIS : no HD1:sc= -0.0638 X(o=-0.064,f=-0.012) USER MOD Single : A 84 HIS : no HD1:sc= -0.0628 K(o=-0.063,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.105 11.599 -13.761 1.00 14.12 N ATOM 2 CA MET A 1 1.815 12.190 -14.209 1.00 72.13 C ATOM 3 C MET A 1 0.918 11.121 -14.865 1.00 15.22 C ATOM 4 O MET A 1 -0.280 11.343 -15.044 1.00 13.20 O ATOM 5 CB MET A 1 2.067 13.380 -15.182 1.00 64.11 C ATOM 6 CG MET A 1 3.055 14.433 -14.641 1.00 70.42 C ATOM 7 SD MET A 1 2.550 15.116 -13.051 1.00 73.21 S ATOM 8 CE MET A 1 3.924 16.201 -12.656 1.00 33.44 C ATOM 0 H1 MET A 1 3.430 12.085 -12.901 1.00 14.12 H new ATOM 0 H2 MET A 1 2.972 10.588 -13.557 1.00 14.12 H new ATOM 0 H3 MET A 1 3.817 11.710 -14.511 1.00 14.12 H new ATOM 0 HA MET A 1 1.292 12.572 -13.332 1.00 72.13 H new ATOM 0 HB2 MET A 1 2.448 12.990 -16.126 1.00 64.11 H new ATOM 0 HB3 MET A 1 1.116 13.866 -15.399 1.00 64.11 H new ATOM 0 HG2 MET A 1 4.041 13.980 -14.540 1.00 70.42 H new ATOM 0 HG3 MET A 1 3.149 15.242 -15.365 1.00 70.42 H new ATOM 0 HE1 MET A 1 3.740 16.686 -11.698 1.00 33.44 H new ATOM 0 HE2 MET A 1 4.843 15.618 -12.597 1.00 33.44 H new ATOM 0 HE3 MET A 1 4.024 16.959 -13.433 1.00 33.44 H new ATOM 20 N GLY A 2 1.531 9.979 -15.252 1.00 45.44 N ATOM 21 CA GLY A 2 0.801 8.797 -15.713 1.00 64.11 C ATOM 22 C GLY A 2 0.135 8.041 -14.574 1.00 43.21 C ATOM 23 O GLY A 2 -0.884 8.496 -14.072 1.00 14.50 O ATOM 0 H GLY A 2 2.544 9.861 -15.250 1.00 45.44 H new ATOM 0 HA2 GLY A 2 0.043 9.101 -16.435 1.00 64.11 H new ATOM 0 HA3 GLY A 2 1.488 8.130 -16.234 1.00 64.11 H new ATOM 27 N GLN A 3 0.688 6.874 -14.179 1.00 41.33 N ATOM 28 CA GLN A 3 0.139 6.075 -13.064 1.00 54.34 C ATOM 29 C GLN A 3 0.936 6.334 -11.781 1.00 71.30 C ATOM 30 O GLN A 3 2.165 6.460 -11.818 1.00 35.14 O ATOM 31 CB GLN A 3 0.125 4.562 -13.403 1.00 1.32 C ATOM 32 CG GLN A 3 -0.640 3.696 -12.371 1.00 23.42 C ATOM 33 CD GLN A 3 -0.707 2.213 -12.729 1.00 33.34 C ATOM 34 OE1 GLN A 3 0.199 1.659 -13.352 1.00 73.12 O ATOM 35 NE2 GLN A 3 -1.788 1.553 -12.334 1.00 22.14 N ATOM 0 H GLN A 3 1.514 6.465 -14.616 1.00 41.33 H new ATOM 0 HA GLN A 3 -0.893 6.386 -12.905 1.00 54.34 H new ATOM 0 HB2 GLN A 3 -0.327 4.424 -14.385 1.00 1.32 H new ATOM 0 HB3 GLN A 3 1.153 4.205 -13.472 1.00 1.32 H new ATOM 0 HG2 GLN A 3 -0.161 3.802 -11.398 1.00 23.42 H new ATOM 0 HG3 GLN A 3 -1.655 4.081 -12.271 1.00 23.42 H new ATOM 0 HE21 GLN A 3 -2.522 2.039 -11.819 1.00 22.14 H new ATOM 0 HE22 GLN A 3 -1.885 0.560 -12.545 1.00 22.14 H new ATOM 44 N TRP A 4 0.209 6.410 -10.655 1.00 43.01 N ATOM 45 CA TRP A 4 0.775 6.667 -9.325 1.00 31.24 C ATOM 46 C TRP A 4 0.798 5.353 -8.536 1.00 63.01 C ATOM 47 O TRP A 4 -0.178 4.589 -8.561 1.00 61.20 O ATOM 48 CB TRP A 4 -0.059 7.759 -8.616 1.00 64.35 C ATOM 49 CG TRP A 4 -0.125 9.025 -9.434 1.00 32.44 C ATOM 50 CD1 TRP A 4 0.751 10.070 -9.413 1.00 11.10 C ATOM 51 CD2 TRP A 4 -1.104 9.348 -10.434 1.00 25.35 C ATOM 52 NE1 TRP A 4 0.390 11.005 -10.346 1.00 24.54 N ATOM 53 CE2 TRP A 4 -0.745 10.589 -10.979 1.00 12.21 C ATOM 54 CE3 TRP A 4 -2.241 8.697 -10.924 1.00 44.05 C ATOM 55 CZ2 TRP A 4 -1.477 11.196 -11.988 1.00 73.43 C ATOM 56 CZ3 TRP A 4 -2.974 9.309 -11.919 1.00 31.42 C ATOM 57 CH2 TRP A 4 -2.588 10.545 -12.443 1.00 13.33 C ATOM 0 H TRP A 4 -0.804 6.293 -10.645 1.00 43.01 H new ATOM 0 HA TRP A 4 1.799 7.034 -9.401 1.00 31.24 H new ATOM 0 HB2 TRP A 4 -1.068 7.388 -8.436 1.00 64.35 H new ATOM 0 HB3 TRP A 4 0.379 7.977 -7.642 1.00 64.35 H new ATOM 0 HD1 TRP A 4 1.605 10.149 -8.756 1.00 11.10 H new ATOM 0 HE1 TRP A 4 0.890 11.873 -10.537 1.00 24.54 H new ATOM 0 HE3 TRP A 4 -2.538 7.736 -10.532 1.00 44.05 H new ATOM 0 HZ2 TRP A 4 -1.179 12.149 -12.399 1.00 73.43 H new ATOM 0 HZ3 TRP A 4 -3.861 8.825 -12.299 1.00 31.42 H new ATOM 0 HH2 TRP A 4 -3.181 10.996 -13.225 1.00 13.33 H new ATOM 68 N GLN A 5 1.912 5.113 -7.847 1.00 13.34 N ATOM 69 CA GLN A 5 2.277 3.800 -7.320 1.00 55.31 C ATOM 70 C GLN A 5 2.944 3.927 -5.933 1.00 74.13 C ATOM 71 O GLN A 5 4.050 4.436 -5.804 1.00 63.21 O ATOM 72 CB GLN A 5 3.207 3.119 -8.362 1.00 31.24 C ATOM 73 CG GLN A 5 3.883 1.820 -7.925 1.00 15.23 C ATOM 74 CD GLN A 5 4.751 1.246 -9.039 1.00 22.43 C ATOM 75 OE1 GLN A 5 4.308 0.409 -9.822 1.00 1.52 O ATOM 76 NE2 GLN A 5 5.964 1.754 -9.173 1.00 73.33 N ATOM 0 H GLN A 5 2.598 5.838 -7.636 1.00 13.34 H new ATOM 0 HA GLN A 5 1.391 3.184 -7.169 1.00 55.31 H new ATOM 0 HB2 GLN A 5 2.623 2.915 -9.259 1.00 31.24 H new ATOM 0 HB3 GLN A 5 3.984 3.830 -8.643 1.00 31.24 H new ATOM 0 HG2 GLN A 5 4.495 2.005 -7.043 1.00 15.23 H new ATOM 0 HG3 GLN A 5 3.125 1.091 -7.639 1.00 15.23 H new ATOM 0 HE21 GLN A 5 6.303 2.447 -8.506 1.00 73.33 H new ATOM 0 HE22 GLN A 5 6.561 1.453 -9.943 1.00 73.33 H new ATOM 85 N ILE A 6 2.253 3.423 -4.907 1.00 65.31 N ATOM 86 CA ILE A 6 2.695 3.467 -3.509 1.00 3.52 C ATOM 87 C ILE A 6 3.453 2.167 -3.180 1.00 73.24 C ATOM 88 O ILE A 6 2.846 1.091 -3.085 1.00 14.14 O ATOM 89 CB ILE A 6 1.447 3.607 -2.555 1.00 42.42 C ATOM 90 CG1 ILE A 6 0.506 4.758 -3.036 1.00 53.34 C ATOM 91 CG2 ILE A 6 1.884 3.820 -1.082 1.00 73.01 C ATOM 92 CD1 ILE A 6 -0.847 4.786 -2.355 1.00 52.42 C ATOM 0 H ILE A 6 1.351 2.963 -5.027 1.00 65.31 H new ATOM 0 HA ILE A 6 3.351 4.325 -3.362 1.00 3.52 H new ATOM 0 HB ILE A 6 0.887 2.673 -2.599 1.00 42.42 H new ATOM 0 HG12 ILE A 6 1.004 5.713 -2.867 1.00 53.34 H new ATOM 0 HG13 ILE A 6 0.356 4.663 -4.111 1.00 53.34 H new ATOM 0 HG21 ILE A 6 1.001 3.913 -0.450 1.00 73.01 H new ATOM 0 HG22 ILE A 6 2.478 2.968 -0.752 1.00 73.01 H new ATOM 0 HG23 ILE A 6 2.481 4.729 -1.007 1.00 73.01 H new ATOM 0 HD11 ILE A 6 -1.435 5.615 -2.748 1.00 52.42 H new ATOM 0 HD12 ILE A 6 -1.369 3.848 -2.545 1.00 52.42 H new ATOM 0 HD13 ILE A 6 -0.711 4.915 -1.281 1.00 52.42 H new ATOM 104 N LYS A 7 4.775 2.275 -3.037 1.00 42.34 N ATOM 105 CA LYS A 7 5.653 1.151 -2.683 1.00 1.42 C ATOM 106 C LYS A 7 5.854 1.115 -1.160 1.00 4.23 C ATOM 107 O LYS A 7 6.556 1.958 -0.594 1.00 2.44 O ATOM 108 CB LYS A 7 7.012 1.275 -3.421 1.00 0.32 C ATOM 109 CG LYS A 7 6.915 1.107 -4.954 1.00 24.44 C ATOM 110 CD LYS A 7 8.309 1.113 -5.632 1.00 44.14 C ATOM 111 CE LYS A 7 8.239 0.838 -7.137 1.00 12.24 C ATOM 112 NZ LYS A 7 9.578 0.779 -7.768 1.00 3.11 N ATOM 0 H LYS A 7 5.275 3.155 -3.165 1.00 42.34 H new ATOM 0 HA LYS A 7 5.187 0.216 -2.995 1.00 1.42 H new ATOM 0 HB2 LYS A 7 7.446 2.250 -3.200 1.00 0.32 H new ATOM 0 HB3 LYS A 7 7.697 0.525 -3.027 1.00 0.32 H new ATOM 0 HG2 LYS A 7 6.405 0.172 -5.184 1.00 24.44 H new ATOM 0 HG3 LYS A 7 6.308 1.912 -5.368 1.00 24.44 H new ATOM 0 HD2 LYS A 7 8.784 2.080 -5.466 1.00 44.14 H new ATOM 0 HD3 LYS A 7 8.941 0.361 -5.159 1.00 44.14 H new ATOM 0 HE2 LYS A 7 7.720 -0.105 -7.307 1.00 12.24 H new ATOM 0 HE3 LYS A 7 7.649 1.618 -7.618 1.00 12.24 H new ATOM 0 HZ1 LYS A 7 9.474 0.591 -8.786 1.00 3.11 H new ATOM 0 HZ2 LYS A 7 10.066 1.687 -7.632 1.00 3.11 H new ATOM 0 HZ3 LYS A 7 10.135 0.018 -7.330 1.00 3.11 H new ATOM 126 N ILE A 8 5.218 0.136 -0.520 1.00 22.15 N ATOM 127 CA ILE A 8 5.267 -0.077 0.932 1.00 22.21 C ATOM 128 C ILE A 8 6.315 -1.170 1.227 1.00 54.04 C ATOM 129 O ILE A 8 6.339 -2.176 0.533 1.00 53.31 O ATOM 130 CB ILE A 8 3.855 -0.537 1.451 1.00 53.30 C ATOM 131 CG1 ILE A 8 2.731 0.445 0.983 1.00 31.45 C ATOM 132 CG2 ILE A 8 3.840 -0.693 2.986 1.00 74.41 C ATOM 133 CD1 ILE A 8 1.321 -0.044 1.264 1.00 73.24 C ATOM 0 H ILE A 8 4.639 -0.550 -1.005 1.00 22.15 H new ATOM 0 HA ILE A 8 5.539 0.849 1.438 1.00 22.21 H new ATOM 0 HB ILE A 8 3.653 -1.515 1.014 1.00 53.30 H new ATOM 0 HG12 ILE A 8 2.875 1.406 1.476 1.00 31.45 H new ATOM 0 HG13 ILE A 8 2.837 0.617 -0.088 1.00 31.45 H new ATOM 0 HG21 ILE A 8 2.849 -1.012 3.310 1.00 74.41 H new ATOM 0 HG22 ILE A 8 4.576 -1.440 3.283 1.00 74.41 H new ATOM 0 HG23 ILE A 8 4.084 0.262 3.451 1.00 74.41 H new ATOM 0 HD11 ILE A 8 0.602 0.695 0.909 1.00 73.24 H new ATOM 0 HD12 ILE A 8 1.154 -0.990 0.748 1.00 73.24 H new ATOM 0 HD13 ILE A 8 1.193 -0.188 2.337 1.00 73.24 H new ATOM 145 N TYR A 9 7.187 -0.965 2.230 1.00 15.32 N ATOM 146 CA TYR A 9 8.265 -1.924 2.572 1.00 31.41 C ATOM 147 C TYR A 9 8.276 -2.168 4.084 1.00 43.02 C ATOM 148 O TYR A 9 8.543 -1.254 4.855 1.00 53.35 O ATOM 149 CB TYR A 9 9.653 -1.384 2.125 1.00 64.04 C ATOM 150 CG TYR A 9 9.801 -1.128 0.616 1.00 24.23 C ATOM 151 CD1 TYR A 9 10.040 -2.185 -0.267 1.00 0.40 C ATOM 152 CD2 TYR A 9 9.715 0.166 0.083 1.00 62.03 C ATOM 153 CE1 TYR A 9 10.188 -1.962 -1.620 1.00 33.43 C ATOM 154 CE2 TYR A 9 9.870 0.389 -1.272 1.00 32.24 C ATOM 155 CZ TYR A 9 10.104 -0.675 -2.115 1.00 42.24 C ATOM 156 OH TYR A 9 10.270 -0.455 -3.463 1.00 13.44 O ATOM 0 H TYR A 9 7.169 -0.137 2.826 1.00 15.32 H new ATOM 0 HA TYR A 9 8.071 -2.859 2.046 1.00 31.41 H new ATOM 0 HB2 TYR A 9 9.851 -0.453 2.656 1.00 64.04 H new ATOM 0 HB3 TYR A 9 10.418 -2.096 2.433 1.00 64.04 H new ATOM 0 HD1 TYR A 9 10.110 -3.192 0.116 1.00 0.40 H new ATOM 0 HD2 TYR A 9 9.525 1.001 0.741 1.00 62.03 H new ATOM 0 HE1 TYR A 9 10.369 -2.790 -2.290 1.00 33.43 H new ATOM 0 HE2 TYR A 9 9.808 1.392 -1.668 1.00 32.24 H new ATOM 0 HH TYR A 9 9.967 -1.242 -3.963 1.00 13.44 H new ATOM 166 N SER A 10 7.980 -3.395 4.506 1.00 22.04 N ATOM 167 CA SER A 10 8.034 -3.796 5.918 1.00 73.30 C ATOM 168 C SER A 10 8.568 -5.229 6.052 1.00 4.54 C ATOM 169 O SER A 10 8.773 -5.933 5.058 1.00 23.43 O ATOM 170 CB SER A 10 6.640 -3.668 6.568 1.00 41.21 C ATOM 171 OG SER A 10 6.672 -4.009 7.937 1.00 32.15 O ATOM 0 H SER A 10 7.694 -4.146 3.878 1.00 22.04 H new ATOM 0 HA SER A 10 8.718 -3.128 6.441 1.00 73.30 H new ATOM 0 HB2 SER A 10 6.278 -2.646 6.455 1.00 41.21 H new ATOM 0 HB3 SER A 10 5.934 -4.315 6.048 1.00 41.21 H new ATOM 0 HG SER A 10 6.009 -3.475 8.423 1.00 32.15 H new ATOM 177 N GLU A 11 8.822 -5.620 7.299 1.00 44.40 N ATOM 178 CA GLU A 11 9.194 -6.993 7.679 1.00 64.30 C ATOM 179 C GLU A 11 7.967 -7.739 8.244 1.00 22.24 C ATOM 180 O GLU A 11 7.931 -8.973 8.244 1.00 41.13 O ATOM 181 CB GLU A 11 10.319 -6.943 8.748 1.00 51.42 C ATOM 182 CG GLU A 11 9.935 -6.199 10.051 1.00 0.23 C ATOM 183 CD GLU A 11 11.031 -6.235 11.123 1.00 52.43 C ATOM 184 OE1 GLU A 11 11.238 -7.305 11.737 1.00 15.41 O ATOM 185 OE2 GLU A 11 11.694 -5.204 11.372 1.00 14.11 O ATOM 0 H GLU A 11 8.776 -4.983 8.094 1.00 44.40 H new ATOM 0 HA GLU A 11 9.552 -7.525 6.798 1.00 64.30 H new ATOM 0 HB2 GLU A 11 10.609 -7.963 8.999 1.00 51.42 H new ATOM 0 HB3 GLU A 11 11.194 -6.460 8.314 1.00 51.42 H new ATOM 0 HG2 GLU A 11 9.705 -5.160 9.813 1.00 0.23 H new ATOM 0 HG3 GLU A 11 9.026 -6.641 10.458 1.00 0.23 H new ATOM 192 N ASN A 12 6.968 -6.964 8.690 1.00 70.21 N ATOM 193 CA ASN A 12 5.877 -7.440 9.548 1.00 74.33 C ATOM 194 C ASN A 12 4.662 -7.866 8.707 1.00 73.05 C ATOM 195 O ASN A 12 4.257 -7.155 7.774 1.00 15.43 O ATOM 196 CB ASN A 12 5.500 -6.318 10.555 1.00 43.44 C ATOM 197 CG ASN A 12 4.589 -6.766 11.710 1.00 1.52 C ATOM 198 OD1 ASN A 12 3.776 -7.664 11.571 1.00 21.40 O ATOM 199 ND2 ASN A 12 4.720 -6.138 12.863 1.00 1.11 N ATOM 0 H ASN A 12 6.896 -5.973 8.460 1.00 70.21 H new ATOM 0 HA ASN A 12 6.207 -8.319 10.101 1.00 74.33 H new ATOM 0 HB2 ASN A 12 6.416 -5.903 10.974 1.00 43.44 H new ATOM 0 HB3 ASN A 12 5.005 -5.513 10.012 1.00 43.44 H new ATOM 0 HD21 ASN A 12 4.136 -6.401 13.656 1.00 1.11 H new ATOM 0 HD22 ASN A 12 5.406 -5.389 12.961 1.00 1.11 H new ATOM 206 N GLU A 13 4.093 -9.032 9.070 1.00 64.31 N ATOM 207 CA GLU A 13 2.909 -9.591 8.419 1.00 32.12 C ATOM 208 C GLU A 13 1.664 -8.873 8.936 1.00 14.31 C ATOM 209 O GLU A 13 0.859 -8.450 8.139 1.00 14.52 O ATOM 210 CB GLU A 13 2.750 -11.129 8.647 1.00 64.12 C ATOM 211 CG GLU A 13 3.988 -11.981 8.280 1.00 64.33 C ATOM 212 CD GLU A 13 5.069 -11.978 9.373 1.00 62.14 C ATOM 213 OE1 GLU A 13 4.873 -12.658 10.404 1.00 31.45 O ATOM 214 OE2 GLU A 13 6.093 -11.275 9.231 1.00 73.24 O ATOM 0 H GLU A 13 4.451 -9.611 9.830 1.00 64.31 H new ATOM 0 HA GLU A 13 3.033 -9.439 7.347 1.00 32.12 H new ATOM 0 HB2 GLU A 13 2.508 -11.301 9.696 1.00 64.12 H new ATOM 0 HB3 GLU A 13 1.900 -11.481 8.062 1.00 64.12 H new ATOM 0 HG2 GLU A 13 3.672 -13.007 8.093 1.00 64.33 H new ATOM 0 HG3 GLU A 13 4.418 -11.605 7.352 1.00 64.33 H new ATOM 221 N ARG A 14 1.548 -8.740 10.289 1.00 34.02 N ATOM 222 CA ARG A 14 0.374 -8.126 10.987 1.00 12.31 C ATOM 223 C ARG A 14 -0.028 -6.775 10.357 1.00 24.01 C ATOM 224 O ARG A 14 -1.211 -6.532 10.105 1.00 1.00 O ATOM 225 CB ARG A 14 0.691 -7.913 12.501 1.00 53.01 C ATOM 226 CG ARG A 14 -0.489 -7.376 13.354 1.00 20.01 C ATOM 227 CD ARG A 14 -1.617 -8.408 13.509 1.00 3.12 C ATOM 228 NE ARG A 14 -1.158 -9.627 14.206 1.00 21.53 N ATOM 229 CZ ARG A 14 -1.711 -10.846 14.090 1.00 20.33 C ATOM 230 NH1 ARG A 14 -2.758 -11.056 13.301 1.00 51.51 N ATOM 231 NH2 ARG A 14 -1.196 -11.865 14.765 1.00 31.23 N ATOM 0 H ARG A 14 2.272 -9.058 10.933 1.00 34.02 H new ATOM 0 HA ARG A 14 -0.461 -8.817 10.877 1.00 12.31 H new ATOM 0 HB2 ARG A 14 1.021 -8.862 12.924 1.00 53.01 H new ATOM 0 HB3 ARG A 14 1.526 -7.218 12.587 1.00 53.01 H new ATOM 0 HG2 ARG A 14 -0.121 -7.093 14.340 1.00 20.01 H new ATOM 0 HG3 ARG A 14 -0.887 -6.473 12.891 1.00 20.01 H new ATOM 0 HD2 ARG A 14 -2.443 -7.962 14.063 1.00 3.12 H new ATOM 0 HD3 ARG A 14 -2.002 -8.676 12.525 1.00 3.12 H new ATOM 0 HE ARG A 14 -0.354 -9.536 14.827 1.00 21.53 H new ATOM 0 HH11 ARG A 14 -3.158 -10.284 12.768 1.00 51.51 H new ATOM 0 HH12 ARG A 14 -3.162 -11.990 13.228 1.00 51.51 H new ATOM 0 HH21 ARG A 14 -0.386 -11.720 15.367 1.00 31.23 H new ATOM 0 HH22 ARG A 14 -1.610 -12.793 14.682 1.00 31.23 H new ATOM 245 N GLU A 15 0.995 -5.925 10.099 1.00 62.51 N ATOM 246 CA GLU A 15 0.824 -4.621 9.434 1.00 52.44 C ATOM 247 C GLU A 15 0.189 -4.797 8.042 1.00 15.52 C ATOM 248 O GLU A 15 -0.831 -4.182 7.723 1.00 21.03 O ATOM 249 CB GLU A 15 2.191 -3.878 9.330 1.00 61.44 C ATOM 250 CG GLU A 15 2.785 -3.463 10.697 1.00 34.41 C ATOM 251 CD GLU A 15 3.996 -2.525 10.572 1.00 24.13 C ATOM 252 OE1 GLU A 15 5.045 -2.980 10.103 1.00 62.10 O ATOM 253 OE2 GLU A 15 3.902 -1.328 10.939 1.00 72.01 O ATOM 0 H GLU A 15 1.962 -6.130 10.349 1.00 62.51 H new ATOM 0 HA GLU A 15 0.150 -4.014 10.038 1.00 52.44 H new ATOM 0 HB2 GLU A 15 2.905 -4.521 8.815 1.00 61.44 H new ATOM 0 HB3 GLU A 15 2.063 -2.987 8.715 1.00 61.44 H new ATOM 0 HG2 GLU A 15 2.012 -2.971 11.287 1.00 34.41 H new ATOM 0 HG3 GLU A 15 3.082 -4.358 11.244 1.00 34.41 H new ATOM 260 N PHE A 16 0.788 -5.701 7.256 1.00 11.22 N ATOM 261 CA PHE A 16 0.352 -6.017 5.889 1.00 41.43 C ATOM 262 C PHE A 16 -0.994 -6.764 5.857 1.00 23.44 C ATOM 263 O PHE A 16 -1.684 -6.691 4.855 1.00 12.43 O ATOM 264 CB PHE A 16 1.465 -6.828 5.146 1.00 23.24 C ATOM 265 CG PHE A 16 2.481 -5.957 4.410 1.00 0.30 C ATOM 266 CD1 PHE A 16 3.100 -4.878 5.041 1.00 33.50 C ATOM 267 CD2 PHE A 16 2.791 -6.202 3.078 1.00 31.24 C ATOM 268 CE1 PHE A 16 3.997 -4.086 4.357 1.00 61.32 C ATOM 269 CE2 PHE A 16 3.685 -5.410 2.404 1.00 0.32 C ATOM 270 CZ PHE A 16 4.288 -4.352 3.038 1.00 52.12 C ATOM 0 H PHE A 16 1.600 -6.241 7.555 1.00 11.22 H new ATOM 0 HA PHE A 16 0.192 -5.073 5.368 1.00 41.43 H new ATOM 0 HB2 PHE A 16 1.992 -7.450 5.870 1.00 23.24 H new ATOM 0 HB3 PHE A 16 0.993 -7.502 4.431 1.00 23.24 H new ATOM 0 HD1 PHE A 16 2.874 -4.661 6.075 1.00 33.50 H new ATOM 0 HD2 PHE A 16 2.321 -7.028 2.566 1.00 31.24 H new ATOM 0 HE1 PHE A 16 4.473 -3.255 4.857 1.00 61.32 H new ATOM 0 HE2 PHE A 16 3.916 -5.619 1.370 1.00 0.32 H new ATOM 0 HZ PHE A 16 4.990 -3.729 2.503 1.00 52.12 H new ATOM 280 N ARG A 17 -1.357 -7.476 6.951 1.00 1.12 N ATOM 281 CA ARG A 17 -2.627 -8.233 7.025 1.00 65.52 C ATOM 282 C ARG A 17 -3.776 -7.240 6.987 1.00 32.51 C ATOM 283 O ARG A 17 -4.640 -7.320 6.120 1.00 21.43 O ATOM 284 CB ARG A 17 -2.739 -9.086 8.324 1.00 24.13 C ATOM 285 CG ARG A 17 -1.723 -10.231 8.445 1.00 43.44 C ATOM 286 CD ARG A 17 -1.847 -11.280 7.333 1.00 63.42 C ATOM 287 NE ARG A 17 -0.802 -12.310 7.447 1.00 55.12 N ATOM 288 CZ ARG A 17 -0.531 -13.245 6.524 1.00 73.42 C ATOM 289 NH1 ARG A 17 -1.224 -13.316 5.387 1.00 62.10 N ATOM 290 NH2 ARG A 17 0.453 -14.103 6.749 1.00 71.43 N ATOM 0 H ARG A 17 -0.787 -7.541 7.794 1.00 1.12 H new ATOM 0 HA ARG A 17 -2.660 -8.921 6.180 1.00 65.52 H new ATOM 0 HB2 ARG A 17 -2.623 -8.426 9.184 1.00 24.13 H new ATOM 0 HB3 ARG A 17 -3.743 -9.506 8.378 1.00 24.13 H new ATOM 0 HG2 ARG A 17 -0.716 -9.815 8.430 1.00 43.44 H new ATOM 0 HG3 ARG A 17 -1.852 -10.720 9.411 1.00 43.44 H new ATOM 0 HD2 ARG A 17 -2.829 -11.750 7.382 1.00 63.42 H new ATOM 0 HD3 ARG A 17 -1.775 -10.792 6.361 1.00 63.42 H new ATOM 0 HE ARG A 17 -0.238 -12.313 8.297 1.00 55.12 H new ATOM 0 HH11 ARG A 17 -1.976 -12.651 5.206 1.00 62.10 H new ATOM 0 HH12 ARG A 17 -1.002 -14.035 4.698 1.00 62.10 H new ATOM 0 HH21 ARG A 17 0.991 -14.046 7.614 1.00 71.43 H new ATOM 0 HH22 ARG A 17 0.672 -14.820 6.058 1.00 71.43 H new ATOM 304 N GLU A 18 -3.696 -6.271 7.915 1.00 61.34 N ATOM 305 CA GLU A 18 -4.698 -5.218 8.086 1.00 15.12 C ATOM 306 C GLU A 18 -4.757 -4.317 6.848 1.00 43.41 C ATOM 307 O GLU A 18 -5.833 -3.884 6.475 1.00 3.14 O ATOM 308 CB GLU A 18 -4.389 -4.409 9.364 1.00 10.33 C ATOM 309 CG GLU A 18 -4.391 -5.274 10.644 1.00 63.15 C ATOM 310 CD GLU A 18 -3.909 -4.508 11.877 1.00 43.32 C ATOM 311 OE1 GLU A 18 -2.687 -4.328 12.020 1.00 32.41 O ATOM 312 OE2 GLU A 18 -4.746 -4.062 12.691 1.00 25.04 O ATOM 0 H GLU A 18 -2.921 -6.201 8.574 1.00 61.34 H new ATOM 0 HA GLU A 18 -5.681 -5.674 8.199 1.00 15.12 H new ATOM 0 HB2 GLU A 18 -3.415 -3.931 9.257 1.00 10.33 H new ATOM 0 HB3 GLU A 18 -5.126 -3.613 9.470 1.00 10.33 H new ATOM 0 HG2 GLU A 18 -5.400 -5.646 10.824 1.00 63.15 H new ATOM 0 HG3 GLU A 18 -3.753 -6.144 10.490 1.00 63.15 H new ATOM 319 N LEU A 19 -3.590 -4.083 6.200 1.00 15.24 N ATOM 320 CA LEU A 19 -3.516 -3.329 4.931 1.00 74.23 C ATOM 321 C LEU A 19 -4.307 -4.050 3.830 1.00 64.12 C ATOM 322 O LEU A 19 -5.134 -3.435 3.169 1.00 74.12 O ATOM 323 CB LEU A 19 -2.031 -3.063 4.496 1.00 4.41 C ATOM 324 CG LEU A 19 -1.485 -1.630 4.815 1.00 50.25 C ATOM 325 CD1 LEU A 19 -2.255 -0.546 4.012 1.00 41.24 C ATOM 326 CD2 LEU A 19 -1.529 -1.336 6.335 1.00 30.21 C ATOM 0 H LEU A 19 -2.685 -4.409 6.540 1.00 15.24 H new ATOM 0 HA LEU A 19 -3.974 -2.354 5.094 1.00 74.23 H new ATOM 0 HB2 LEU A 19 -1.390 -3.795 4.986 1.00 4.41 H new ATOM 0 HB3 LEU A 19 -1.948 -3.235 3.423 1.00 4.41 H new ATOM 0 HG LEU A 19 -0.441 -1.597 4.503 1.00 50.25 H new ATOM 0 HD11 LEU A 19 -1.855 0.439 4.253 1.00 41.24 H new ATOM 0 HD12 LEU A 19 -2.139 -0.733 2.944 1.00 41.24 H new ATOM 0 HD13 LEU A 19 -3.312 -0.582 4.274 1.00 41.24 H new ATOM 0 HD21 LEU A 19 -1.143 -0.334 6.523 1.00 30.21 H new ATOM 0 HD22 LEU A 19 -2.558 -1.401 6.689 1.00 30.21 H new ATOM 0 HD23 LEU A 19 -0.917 -2.066 6.865 1.00 30.21 H new ATOM 338 N ILE A 20 -4.067 -5.364 3.682 1.00 13.40 N ATOM 339 CA ILE A 20 -4.789 -6.200 2.713 1.00 71.02 C ATOM 340 C ILE A 20 -6.310 -6.148 2.993 1.00 51.33 C ATOM 341 O ILE A 20 -7.086 -5.951 2.065 1.00 21.10 O ATOM 342 CB ILE A 20 -4.249 -7.687 2.720 1.00 3.25 C ATOM 343 CG1 ILE A 20 -2.771 -7.755 2.191 1.00 72.12 C ATOM 344 CG2 ILE A 20 -5.164 -8.649 1.928 1.00 22.22 C ATOM 345 CD1 ILE A 20 -2.549 -7.282 0.765 1.00 45.55 C ATOM 0 H ILE A 20 -3.371 -5.872 4.228 1.00 13.40 H new ATOM 0 HA ILE A 20 -4.611 -5.801 1.714 1.00 71.02 H new ATOM 0 HB ILE A 20 -4.258 -8.021 3.758 1.00 3.25 H new ATOM 0 HG12 ILE A 20 -2.142 -7.158 2.852 1.00 72.12 H new ATOM 0 HG13 ILE A 20 -2.426 -8.786 2.268 1.00 72.12 H new ATOM 0 HG21 ILE A 20 -4.750 -9.657 1.963 1.00 22.22 H new ATOM 0 HG22 ILE A 20 -6.160 -8.651 2.370 1.00 22.22 H new ATOM 0 HG23 ILE A 20 -5.228 -8.319 0.891 1.00 22.22 H new ATOM 0 HD11 ILE A 20 -1.493 -7.375 0.511 1.00 45.55 H new ATOM 0 HD12 ILE A 20 -3.141 -7.892 0.083 1.00 45.55 H new ATOM 0 HD13 ILE A 20 -2.853 -6.239 0.676 1.00 45.55 H new ATOM 357 N GLU A 21 -6.693 -6.242 4.290 1.00 21.21 N ATOM 358 CA GLU A 21 -8.103 -6.182 4.724 1.00 72.00 C ATOM 359 C GLU A 21 -8.749 -4.846 4.320 1.00 20.34 C ATOM 360 O GLU A 21 -9.833 -4.836 3.748 1.00 41.15 O ATOM 361 CB GLU A 21 -8.226 -6.364 6.268 1.00 34.12 C ATOM 362 CG GLU A 21 -7.699 -7.700 6.822 1.00 64.04 C ATOM 363 CD GLU A 21 -8.303 -8.933 6.128 1.00 2.12 C ATOM 364 OE1 GLU A 21 -9.467 -9.292 6.434 1.00 61.43 O ATOM 365 OE2 GLU A 21 -7.632 -9.556 5.272 1.00 54.10 O ATOM 0 H GLU A 21 -6.033 -6.361 5.059 1.00 21.21 H new ATOM 0 HA GLU A 21 -8.626 -6.998 4.227 1.00 72.00 H new ATOM 0 HB2 GLU A 21 -7.688 -5.551 6.756 1.00 34.12 H new ATOM 0 HB3 GLU A 21 -9.275 -6.264 6.546 1.00 34.12 H new ATOM 0 HG2 GLU A 21 -6.615 -7.727 6.714 1.00 64.04 H new ATOM 0 HG3 GLU A 21 -7.914 -7.752 7.889 1.00 64.04 H new ATOM 372 N ARG A 22 -8.034 -3.729 4.600 1.00 24.45 N ATOM 373 CA ARG A 22 -8.538 -2.362 4.360 1.00 32.02 C ATOM 374 C ARG A 22 -8.754 -2.112 2.866 1.00 42.53 C ATOM 375 O ARG A 22 -9.772 -1.556 2.480 1.00 11.15 O ATOM 376 CB ARG A 22 -7.581 -1.286 4.962 1.00 41.03 C ATOM 377 CG ARG A 22 -7.494 -1.291 6.507 1.00 2.11 C ATOM 378 CD ARG A 22 -8.875 -1.233 7.194 1.00 64.05 C ATOM 379 NE ARG A 22 -8.776 -1.277 8.666 1.00 72.35 N ATOM 380 CZ ARG A 22 -8.887 -2.382 9.412 1.00 65.43 C ATOM 381 NH1 ARG A 22 -9.111 -3.564 8.843 1.00 2.54 N ATOM 382 NH2 ARG A 22 -8.803 -2.294 10.728 1.00 32.35 N ATOM 0 H ARG A 22 -7.095 -3.754 4.997 1.00 24.45 H new ATOM 0 HA ARG A 22 -9.499 -2.276 4.866 1.00 32.02 H new ATOM 0 HB2 ARG A 22 -6.582 -1.439 4.555 1.00 41.03 H new ATOM 0 HB3 ARG A 22 -7.911 -0.301 4.633 1.00 41.03 H new ATOM 0 HG2 ARG A 22 -6.971 -2.190 6.832 1.00 2.11 H new ATOM 0 HG3 ARG A 22 -6.897 -0.440 6.834 1.00 2.11 H new ATOM 0 HD2 ARG A 22 -9.388 -0.319 6.895 1.00 64.05 H new ATOM 0 HD3 ARG A 22 -9.484 -2.068 6.849 1.00 64.05 H new ATOM 0 HE ARG A 22 -8.610 -0.396 9.153 1.00 72.35 H new ATOM 0 HH11 ARG A 22 -9.200 -3.633 7.829 1.00 2.54 H new ATOM 0 HH12 ARG A 22 -9.194 -4.401 9.421 1.00 2.54 H new ATOM 0 HH21 ARG A 22 -8.654 -1.387 11.170 1.00 32.35 H new ATOM 0 HH22 ARG A 22 -8.887 -3.133 11.302 1.00 32.35 H new ATOM 396 N LEU A 23 -7.787 -2.563 2.044 1.00 14.31 N ATOM 397 CA LEU A 23 -7.836 -2.422 0.578 1.00 14.14 C ATOM 398 C LEU A 23 -8.933 -3.331 -0.036 1.00 32.32 C ATOM 399 O LEU A 23 -9.484 -3.004 -1.099 1.00 65.13 O ATOM 400 CB LEU A 23 -6.428 -2.689 -0.048 1.00 13.23 C ATOM 401 CG LEU A 23 -5.410 -1.482 -0.075 1.00 21.31 C ATOM 402 CD1 LEU A 23 -5.945 -0.307 -0.912 1.00 53.51 C ATOM 403 CD2 LEU A 23 -5.007 -1.001 1.337 1.00 13.42 C ATOM 0 H LEU A 23 -6.948 -3.036 2.380 1.00 14.31 H new ATOM 0 HA LEU A 23 -8.109 -1.394 0.338 1.00 14.14 H new ATOM 0 HB2 LEU A 23 -5.965 -3.510 0.500 1.00 13.23 H new ATOM 0 HB3 LEU A 23 -6.573 -3.032 -1.073 1.00 13.23 H new ATOM 0 HG LEU A 23 -4.508 -1.865 -0.552 1.00 21.31 H new ATOM 0 HD11 LEU A 23 -5.217 0.504 -0.907 1.00 53.51 H new ATOM 0 HD12 LEU A 23 -6.113 -0.637 -1.937 1.00 53.51 H new ATOM 0 HD13 LEU A 23 -6.884 0.045 -0.486 1.00 53.51 H new ATOM 0 HD21 LEU A 23 -4.306 -0.170 1.252 1.00 13.42 H new ATOM 0 HD22 LEU A 23 -5.895 -0.673 1.877 1.00 13.42 H new ATOM 0 HD23 LEU A 23 -4.535 -1.820 1.879 1.00 13.42 H new ATOM 415 N GLU A 24 -9.249 -4.460 0.640 1.00 3.03 N ATOM 416 CA GLU A 24 -10.392 -5.332 0.277 1.00 34.23 C ATOM 417 C GLU A 24 -11.732 -4.666 0.682 1.00 53.14 C ATOM 418 O GLU A 24 -12.768 -4.921 0.058 1.00 74.52 O ATOM 419 CB GLU A 24 -10.269 -6.737 0.948 1.00 10.12 C ATOM 420 CG GLU A 24 -9.124 -7.627 0.411 1.00 11.14 C ATOM 421 CD GLU A 24 -9.313 -8.064 -1.056 1.00 2.11 C ATOM 422 OE1 GLU A 24 -9.000 -7.282 -1.972 1.00 34.12 O ATOM 423 OE2 GLU A 24 -9.770 -9.203 -1.303 1.00 64.21 O ATOM 0 H GLU A 24 -8.722 -4.791 1.448 1.00 3.03 H new ATOM 0 HA GLU A 24 -10.375 -5.469 -0.804 1.00 34.23 H new ATOM 0 HB2 GLU A 24 -10.127 -6.599 2.020 1.00 10.12 H new ATOM 0 HB3 GLU A 24 -11.212 -7.268 0.817 1.00 10.12 H new ATOM 0 HG2 GLU A 24 -8.182 -7.085 0.501 1.00 11.14 H new ATOM 0 HG3 GLU A 24 -9.042 -8.515 1.038 1.00 11.14 H new ATOM 430 N GLU A 25 -11.691 -3.829 1.744 1.00 21.22 N ATOM 431 CA GLU A 25 -12.855 -3.048 2.219 1.00 3.23 C ATOM 432 C GLU A 25 -13.076 -1.802 1.334 1.00 33.21 C ATOM 433 O GLU A 25 -14.206 -1.297 1.258 1.00 73.12 O ATOM 434 CB GLU A 25 -12.681 -2.661 3.724 1.00 1.43 C ATOM 435 CG GLU A 25 -12.688 -3.874 4.683 1.00 5.43 C ATOM 436 CD GLU A 25 -12.390 -3.508 6.151 1.00 63.01 C ATOM 437 OE1 GLU A 25 -13.336 -3.133 6.886 1.00 63.55 O ATOM 438 OE2 GLU A 25 -11.219 -3.621 6.586 1.00 42.22 O ATOM 0 H GLU A 25 -10.847 -3.676 2.297 1.00 21.22 H new ATOM 0 HA GLU A 25 -13.746 -3.670 2.138 1.00 3.23 H new ATOM 0 HB2 GLU A 25 -11.743 -2.119 3.844 1.00 1.43 H new ATOM 0 HB3 GLU A 25 -13.482 -1.979 4.009 1.00 1.43 H new ATOM 0 HG2 GLU A 25 -13.661 -4.362 4.630 1.00 5.43 H new ATOM 0 HG3 GLU A 25 -11.949 -4.599 4.342 1.00 5.43 H new ATOM 445 N GLU A 26 -12.000 -1.323 0.659 1.00 24.31 N ATOM 446 CA GLU A 26 -12.075 -0.163 -0.257 1.00 31.33 C ATOM 447 C GLU A 26 -12.881 -0.537 -1.518 1.00 12.52 C ATOM 448 O GLU A 26 -12.518 -1.465 -2.252 1.00 40.23 O ATOM 449 CB GLU A 26 -10.661 0.357 -0.652 1.00 52.52 C ATOM 450 CG GLU A 26 -9.796 0.901 0.516 1.00 34.01 C ATOM 451 CD GLU A 26 -10.378 2.138 1.238 1.00 44.30 C ATOM 452 OE1 GLU A 26 -11.338 1.990 2.037 1.00 60.01 O ATOM 453 OE2 GLU A 26 -9.882 3.266 1.028 1.00 61.24 O ATOM 0 H GLU A 26 -11.067 -1.727 0.735 1.00 24.31 H new ATOM 0 HA GLU A 26 -12.583 0.644 0.270 1.00 31.33 H new ATOM 0 HB2 GLU A 26 -10.117 -0.454 -1.136 1.00 52.52 H new ATOM 0 HB3 GLU A 26 -10.778 1.148 -1.393 1.00 52.52 H new ATOM 0 HG2 GLU A 26 -9.657 0.104 1.247 1.00 34.01 H new ATOM 0 HG3 GLU A 26 -8.809 1.155 0.130 1.00 34.01 H new ATOM 460 N ARG A 27 -13.995 0.182 -1.727 1.00 5.11 N ATOM 461 CA ARG A 27 -14.941 -0.070 -2.837 1.00 20.30 C ATOM 462 C ARG A 27 -14.391 0.474 -4.181 1.00 23.21 C ATOM 463 O ARG A 27 -13.818 1.570 -4.214 1.00 2.34 O ATOM 464 CB ARG A 27 -16.354 0.541 -2.509 1.00 35.33 C ATOM 465 CG ARG A 27 -17.363 -0.392 -1.758 1.00 54.11 C ATOM 466 CD ARG A 27 -16.714 -1.442 -0.827 1.00 65.34 C ATOM 467 NE ARG A 27 -16.169 -2.601 -1.579 1.00 74.02 N ATOM 468 CZ ARG A 27 -15.575 -3.679 -1.041 1.00 41.13 C ATOM 469 NH1 ARG A 27 -15.440 -3.814 0.270 1.00 74.42 N ATOM 470 NH2 ARG A 27 -15.096 -4.623 -1.834 1.00 44.31 N ATOM 0 H ARG A 27 -14.271 0.961 -1.129 1.00 5.11 H new ATOM 0 HA ARG A 27 -15.055 -1.149 -2.946 1.00 20.30 H new ATOM 0 HB2 ARG A 27 -16.206 1.438 -1.907 1.00 35.33 H new ATOM 0 HB3 ARG A 27 -16.814 0.857 -3.445 1.00 35.33 H new ATOM 0 HG2 ARG A 27 -18.037 0.228 -1.167 1.00 54.11 H new ATOM 0 HG3 ARG A 27 -17.973 -0.911 -2.497 1.00 54.11 H new ATOM 0 HD2 ARG A 27 -15.913 -0.973 -0.256 1.00 65.34 H new ATOM 0 HD3 ARG A 27 -17.454 -1.794 -0.108 1.00 65.34 H new ATOM 0 HE ARG A 27 -16.253 -2.576 -2.595 1.00 74.02 H new ATOM 0 HH11 ARG A 27 -15.791 -3.089 0.896 1.00 74.42 H new ATOM 0 HH12 ARG A 27 -14.985 -4.643 0.653 1.00 74.42 H new ATOM 0 HH21 ARG A 27 -15.179 -4.529 -2.846 1.00 44.31 H new ATOM 0 HH22 ARG A 27 -14.644 -5.445 -1.433 1.00 44.31 H new ATOM 484 N PRO A 28 -14.517 -0.291 -5.319 1.00 20.12 N ATOM 485 CA PRO A 28 -14.967 -1.707 -5.332 1.00 72.24 C ATOM 486 C PRO A 28 -13.808 -2.710 -5.084 1.00 75.42 C ATOM 487 O PRO A 28 -13.994 -3.724 -4.394 1.00 21.14 O ATOM 488 CB PRO A 28 -15.593 -1.862 -6.741 1.00 42.24 C ATOM 489 CG PRO A 28 -14.932 -0.816 -7.614 1.00 61.22 C ATOM 490 CD PRO A 28 -14.259 0.207 -6.694 1.00 32.24 C ATOM 0 HA PRO A 28 -15.668 -1.932 -4.528 1.00 72.24 H new ATOM 0 HB2 PRO A 28 -15.421 -2.863 -7.135 1.00 42.24 H new ATOM 0 HB3 PRO A 28 -16.672 -1.714 -6.706 1.00 42.24 H new ATOM 0 HG2 PRO A 28 -14.197 -1.278 -8.273 1.00 61.22 H new ATOM 0 HG3 PRO A 28 -15.670 -0.329 -8.251 1.00 61.22 H new ATOM 0 HD2 PRO A 28 -13.190 0.277 -6.895 1.00 32.24 H new ATOM 0 HD3 PRO A 28 -14.676 1.204 -6.838 1.00 32.24 H new ATOM 498 N SER A 29 -12.610 -2.381 -5.611 1.00 53.25 N ATOM 499 CA SER A 29 -11.431 -3.251 -5.575 1.00 72.01 C ATOM 500 C SER A 29 -10.213 -2.471 -6.128 1.00 14.11 C ATOM 501 O SER A 29 -10.216 -2.049 -7.291 1.00 53.31 O ATOM 502 CB SER A 29 -11.696 -4.542 -6.399 1.00 15.41 C ATOM 503 OG SER A 29 -12.128 -4.239 -7.722 1.00 24.02 O ATOM 0 H SER A 29 -12.439 -1.490 -6.078 1.00 53.25 H new ATOM 0 HA SER A 29 -11.219 -3.551 -4.549 1.00 72.01 H new ATOM 0 HB2 SER A 29 -10.786 -5.141 -6.441 1.00 15.41 H new ATOM 0 HB3 SER A 29 -12.453 -5.146 -5.898 1.00 15.41 H new ATOM 0 HG SER A 29 -11.633 -3.463 -8.058 1.00 24.02 H new ATOM 509 N VAL A 30 -9.188 -2.262 -5.285 1.00 41.22 N ATOM 510 CA VAL A 30 -7.990 -1.465 -5.638 1.00 74.22 C ATOM 511 C VAL A 30 -6.906 -2.365 -6.274 1.00 55.31 C ATOM 512 O VAL A 30 -6.684 -3.489 -5.813 1.00 22.15 O ATOM 513 CB VAL A 30 -7.396 -0.741 -4.377 1.00 14.14 C ATOM 514 CG1 VAL A 30 -6.121 0.076 -4.727 1.00 72.24 C ATOM 515 CG2 VAL A 30 -8.467 0.154 -3.705 1.00 1.40 C ATOM 0 H VAL A 30 -9.162 -2.639 -4.338 1.00 41.22 H new ATOM 0 HA VAL A 30 -8.300 -0.709 -6.360 1.00 74.22 H new ATOM 0 HB VAL A 30 -7.097 -1.511 -3.665 1.00 14.14 H new ATOM 0 HG11 VAL A 30 -5.742 0.561 -3.828 1.00 72.24 H new ATOM 0 HG12 VAL A 30 -5.359 -0.593 -5.128 1.00 72.24 H new ATOM 0 HG13 VAL A 30 -6.367 0.833 -5.471 1.00 72.24 H new ATOM 0 HG21 VAL A 30 -8.035 0.646 -2.834 1.00 1.40 H new ATOM 0 HG22 VAL A 30 -8.809 0.907 -4.415 1.00 1.40 H new ATOM 0 HG23 VAL A 30 -9.311 -0.461 -3.393 1.00 1.40 H new ATOM 525 N GLN A 31 -6.235 -1.853 -7.323 1.00 15.53 N ATOM 526 CA GLN A 31 -5.106 -2.534 -7.989 1.00 11.31 C ATOM 527 C GLN A 31 -3.866 -2.504 -7.077 1.00 22.34 C ATOM 528 O GLN A 31 -3.387 -1.424 -6.729 1.00 33.13 O ATOM 529 CB GLN A 31 -4.791 -1.830 -9.338 1.00 25.41 C ATOM 530 CG GLN A 31 -5.968 -1.809 -10.331 1.00 54.12 C ATOM 531 CD GLN A 31 -5.655 -1.078 -11.636 1.00 44.35 C ATOM 532 OE1 GLN A 31 -5.884 0.126 -11.763 1.00 74.14 O ATOM 533 NE2 GLN A 31 -5.121 -1.798 -12.616 1.00 21.12 N ATOM 0 H GLN A 31 -6.462 -0.948 -7.736 1.00 15.53 H new ATOM 0 HA GLN A 31 -5.377 -3.572 -8.184 1.00 11.31 H new ATOM 0 HB2 GLN A 31 -4.483 -0.804 -9.136 1.00 25.41 H new ATOM 0 HB3 GLN A 31 -3.944 -2.331 -9.807 1.00 25.41 H new ATOM 0 HG2 GLN A 31 -6.258 -2.835 -10.559 1.00 54.12 H new ATOM 0 HG3 GLN A 31 -6.826 -1.334 -9.855 1.00 54.12 H new ATOM 0 HE21 GLN A 31 -4.944 -2.793 -12.479 1.00 21.12 H new ATOM 0 HE22 GLN A 31 -4.888 -1.356 -13.505 1.00 21.12 H new ATOM 542 N TYR A 32 -3.382 -3.684 -6.661 1.00 71.12 N ATOM 543 CA TYR A 32 -2.154 -3.812 -5.853 1.00 51.41 C ATOM 544 C TYR A 32 -1.550 -5.224 -5.983 1.00 31.51 C ATOM 545 O TYR A 32 -2.216 -6.151 -6.447 1.00 12.50 O ATOM 546 CB TYR A 32 -2.414 -3.448 -4.363 1.00 23.11 C ATOM 547 CG TYR A 32 -3.415 -4.341 -3.606 1.00 41.10 C ATOM 548 CD1 TYR A 32 -3.018 -5.556 -3.033 1.00 24.41 C ATOM 549 CD2 TYR A 32 -4.750 -3.965 -3.457 1.00 73.03 C ATOM 550 CE1 TYR A 32 -3.914 -6.351 -2.347 1.00 61.33 C ATOM 551 CE2 TYR A 32 -5.645 -4.759 -2.769 1.00 34.42 C ATOM 552 CZ TYR A 32 -5.224 -5.948 -2.217 1.00 25.25 C ATOM 553 OH TYR A 32 -6.119 -6.734 -1.519 1.00 3.44 O ATOM 0 H TYR A 32 -3.828 -4.576 -6.873 1.00 71.12 H new ATOM 0 HA TYR A 32 -1.427 -3.100 -6.243 1.00 51.41 H new ATOM 0 HB2 TYR A 32 -1.462 -3.476 -3.833 1.00 23.11 H new ATOM 0 HB3 TYR A 32 -2.773 -2.420 -4.320 1.00 23.11 H new ATOM 0 HD1 TYR A 32 -1.991 -5.877 -3.130 1.00 24.41 H new ATOM 0 HD2 TYR A 32 -5.090 -3.035 -3.888 1.00 73.03 H new ATOM 0 HE1 TYR A 32 -3.589 -7.285 -1.914 1.00 61.33 H new ATOM 0 HE2 TYR A 32 -6.674 -4.448 -2.664 1.00 34.42 H new ATOM 0 HH TYR A 32 -6.999 -6.687 -1.948 1.00 3.44 H new ATOM 563 N THR A 33 -0.281 -5.375 -5.550 1.00 73.13 N ATOM 564 CA THR A 33 0.455 -6.648 -5.598 1.00 42.51 C ATOM 565 C THR A 33 1.492 -6.694 -4.447 1.00 4.14 C ATOM 566 O THR A 33 2.437 -5.905 -4.438 1.00 50.23 O ATOM 567 CB THR A 33 1.204 -6.835 -6.973 1.00 74.13 C ATOM 568 OG1 THR A 33 0.286 -6.689 -8.073 1.00 52.40 O ATOM 569 CG2 THR A 33 1.889 -8.213 -7.066 1.00 71.12 C ATOM 0 H THR A 33 0.263 -4.608 -5.155 1.00 73.13 H new ATOM 0 HA THR A 33 -0.270 -7.455 -5.489 1.00 42.51 H new ATOM 0 HB THR A 33 1.970 -6.062 -7.028 1.00 74.13 H new ATOM 0 HG1 THR A 33 0.767 -6.806 -8.919 1.00 52.40 H new ATOM 0 HG21 THR A 33 2.394 -8.304 -8.028 1.00 71.12 H new ATOM 0 HG22 THR A 33 2.618 -8.312 -6.262 1.00 71.12 H new ATOM 0 HG23 THR A 33 1.139 -8.999 -6.974 1.00 71.12 H new ATOM 577 N GLU A 34 1.291 -7.605 -3.486 1.00 74.11 N ATOM 578 CA GLU A 34 2.274 -7.894 -2.422 1.00 22.41 C ATOM 579 C GLU A 34 3.243 -8.988 -2.922 1.00 3.33 C ATOM 580 O GLU A 34 2.821 -9.931 -3.601 1.00 14.22 O ATOM 581 CB GLU A 34 1.572 -8.362 -1.123 1.00 32.23 C ATOM 582 CG GLU A 34 2.546 -8.696 0.044 1.00 12.33 C ATOM 583 CD GLU A 34 1.934 -9.616 1.109 1.00 72.32 C ATOM 584 OE1 GLU A 34 1.637 -10.783 0.776 1.00 22.33 O ATOM 585 OE2 GLU A 34 1.781 -9.211 2.283 1.00 53.31 O ATOM 0 H GLU A 34 0.442 -8.166 -3.420 1.00 74.11 H new ATOM 0 HA GLU A 34 2.824 -6.982 -2.192 1.00 22.41 H new ATOM 0 HB2 GLU A 34 0.883 -7.584 -0.795 1.00 32.23 H new ATOM 0 HB3 GLU A 34 0.973 -9.245 -1.345 1.00 32.23 H new ATOM 0 HG2 GLU A 34 3.439 -9.169 -0.363 1.00 12.33 H new ATOM 0 HG3 GLU A 34 2.865 -7.767 0.517 1.00 12.33 H new ATOM 592 N THR A 35 4.531 -8.846 -2.586 1.00 13.00 N ATOM 593 CA THR A 35 5.591 -9.797 -2.957 1.00 75.24 C ATOM 594 C THR A 35 6.630 -9.849 -1.816 1.00 74.40 C ATOM 595 O THR A 35 7.083 -8.803 -1.344 1.00 2.35 O ATOM 596 CB THR A 35 6.282 -9.357 -4.304 1.00 43.40 C ATOM 597 OG1 THR A 35 5.298 -9.242 -5.353 1.00 63.42 O ATOM 598 CG2 THR A 35 7.386 -10.335 -4.753 1.00 54.23 C ATOM 0 H THR A 35 4.873 -8.055 -2.040 1.00 13.00 H new ATOM 0 HA THR A 35 5.158 -10.786 -3.109 1.00 75.24 H new ATOM 0 HB THR A 35 6.750 -8.391 -4.114 1.00 43.40 H new ATOM 0 HG1 THR A 35 5.737 -8.967 -6.185 1.00 63.42 H new ATOM 0 HG21 THR A 35 7.827 -9.983 -5.685 1.00 54.23 H new ATOM 0 HG22 THR A 35 8.157 -10.391 -3.985 1.00 54.23 H new ATOM 0 HG23 THR A 35 6.955 -11.324 -4.907 1.00 54.23 H new ATOM 606 N THR A 36 6.981 -11.062 -1.347 1.00 61.52 N ATOM 607 CA THR A 36 8.095 -11.235 -0.406 1.00 32.12 C ATOM 608 C THR A 36 9.390 -11.385 -1.236 1.00 43.35 C ATOM 609 O THR A 36 9.669 -12.459 -1.775 1.00 51.03 O ATOM 610 CB THR A 36 7.878 -12.478 0.527 1.00 73.34 C ATOM 611 OG1 THR A 36 6.576 -12.407 1.136 1.00 31.34 O ATOM 612 CG2 THR A 36 8.947 -12.558 1.638 1.00 0.14 C ATOM 0 H THR A 36 6.510 -11.929 -1.605 1.00 61.52 H new ATOM 0 HA THR A 36 8.161 -10.367 0.250 1.00 32.12 H new ATOM 0 HB THR A 36 7.962 -13.371 -0.093 1.00 73.34 H new ATOM 0 HG1 THR A 36 6.443 -13.185 1.716 1.00 31.34 H new ATOM 0 HG21 THR A 36 8.760 -13.433 2.261 1.00 0.14 H new ATOM 0 HG22 THR A 36 9.936 -12.639 1.186 1.00 0.14 H new ATOM 0 HG23 THR A 36 8.901 -11.659 2.252 1.00 0.14 H new ATOM 620 N ARG A 37 10.147 -10.281 -1.363 1.00 43.20 N ATOM 621 CA ARG A 37 11.373 -10.219 -2.184 1.00 63.43 C ATOM 622 C ARG A 37 12.578 -9.962 -1.265 1.00 25.10 C ATOM 623 O ARG A 37 12.574 -8.991 -0.512 1.00 44.03 O ATOM 624 CB ARG A 37 11.244 -9.103 -3.252 1.00 55.35 C ATOM 625 CG ARG A 37 12.392 -9.080 -4.295 1.00 63.02 C ATOM 626 CD ARG A 37 12.336 -7.878 -5.254 1.00 75.42 C ATOM 627 NE ARG A 37 11.049 -7.771 -5.976 1.00 52.51 N ATOM 628 CZ ARG A 37 10.887 -7.322 -7.231 1.00 53.14 C ATOM 629 NH1 ARG A 37 11.930 -6.936 -7.967 1.00 61.35 N ATOM 630 NH2 ARG A 37 9.667 -7.211 -7.722 1.00 41.24 N ATOM 0 H ARG A 37 9.926 -9.401 -0.897 1.00 43.20 H new ATOM 0 HA ARG A 37 11.518 -11.166 -2.705 1.00 63.43 H new ATOM 0 HB2 ARG A 37 10.296 -9.226 -3.776 1.00 55.35 H new ATOM 0 HB3 ARG A 37 11.207 -8.137 -2.748 1.00 55.35 H new ATOM 0 HG2 ARG A 37 13.347 -9.070 -3.770 1.00 63.02 H new ATOM 0 HG3 ARG A 37 12.359 -10.000 -4.878 1.00 63.02 H new ATOM 0 HD2 ARG A 37 12.506 -6.962 -4.689 1.00 75.42 H new ATOM 0 HD3 ARG A 37 13.146 -7.961 -5.978 1.00 75.42 H new ATOM 0 HE ARG A 37 10.210 -8.065 -5.476 1.00 52.51 H new ATOM 0 HH11 ARG A 37 12.872 -6.979 -7.578 1.00 61.35 H new ATOM 0 HH12 ARG A 37 11.786 -6.598 -8.918 1.00 61.35 H new ATOM 0 HH21 ARG A 37 8.862 -7.465 -7.150 1.00 41.24 H new ATOM 0 HH22 ARG A 37 9.529 -6.871 -8.674 1.00 41.24 H new ATOM 644 N ASN A 38 13.583 -10.870 -1.314 1.00 13.50 N ATOM 645 CA ASN A 38 14.811 -10.823 -0.467 1.00 34.41 C ATOM 646 C ASN A 38 14.488 -10.946 1.039 1.00 52.42 C ATOM 647 O ASN A 38 15.344 -10.663 1.892 1.00 30.12 O ATOM 648 CB ASN A 38 15.654 -9.536 -0.753 1.00 40.11 C ATOM 649 CG ASN A 38 16.265 -9.511 -2.156 1.00 41.20 C ATOM 650 OD1 ASN A 38 17.347 -10.048 -2.384 1.00 50.23 O ATOM 651 ND2 ASN A 38 15.596 -8.864 -3.099 1.00 60.33 N ATOM 0 H ASN A 38 13.568 -11.668 -1.949 1.00 13.50 H new ATOM 0 HA ASN A 38 15.412 -11.690 -0.741 1.00 34.41 H new ATOM 0 HB2 ASN A 38 15.020 -8.659 -0.625 1.00 40.11 H new ATOM 0 HB3 ASN A 38 16.453 -9.462 -0.015 1.00 40.11 H new ATOM 0 HD21 ASN A 38 15.977 -8.802 -4.043 1.00 60.33 H new ATOM 0 HD22 ASN A 38 14.700 -8.428 -2.881 1.00 60.33 H new ATOM 658 N GLY A 39 13.268 -11.413 1.357 1.00 40.24 N ATOM 659 CA GLY A 39 12.811 -11.579 2.736 1.00 60.10 C ATOM 660 C GLY A 39 11.922 -10.442 3.226 1.00 65.44 C ATOM 661 O GLY A 39 11.323 -10.555 4.300 1.00 44.04 O ATOM 0 H GLY A 39 12.575 -11.685 0.660 1.00 40.24 H new ATOM 0 HA2 GLY A 39 12.264 -12.518 2.818 1.00 60.10 H new ATOM 0 HA3 GLY A 39 13.679 -11.658 3.390 1.00 60.10 H new ATOM 665 N ARG A 40 11.831 -9.337 2.453 1.00 21.30 N ATOM 666 CA ARG A 40 11.020 -8.160 2.846 1.00 73.40 C ATOM 667 C ARG A 40 9.645 -8.200 2.162 1.00 64.40 C ATOM 668 O ARG A 40 9.522 -8.587 0.995 1.00 64.43 O ATOM 669 CB ARG A 40 11.753 -6.819 2.542 1.00 61.12 C ATOM 670 CG ARG A 40 11.788 -6.370 1.057 1.00 70.33 C ATOM 671 CD ARG A 40 12.684 -5.147 0.823 1.00 12.12 C ATOM 672 NE ARG A 40 14.082 -5.412 1.234 1.00 74.42 N ATOM 673 CZ ARG A 40 15.160 -4.768 0.779 1.00 64.42 C ATOM 674 NH1 ARG A 40 15.057 -3.795 -0.124 1.00 20.21 N ATOM 675 NH2 ARG A 40 16.353 -5.108 1.248 1.00 74.45 N ATOM 0 H ARG A 40 12.307 -9.234 1.557 1.00 21.30 H new ATOM 0 HA ARG A 40 10.874 -8.208 3.925 1.00 73.40 H new ATOM 0 HB2 ARG A 40 11.278 -6.031 3.126 1.00 61.12 H new ATOM 0 HB3 ARG A 40 12.780 -6.904 2.897 1.00 61.12 H new ATOM 0 HG2 ARG A 40 12.142 -7.197 0.441 1.00 70.33 H new ATOM 0 HG3 ARG A 40 10.775 -6.140 0.729 1.00 70.33 H new ATOM 0 HD2 ARG A 40 12.659 -4.873 -0.232 1.00 12.12 H new ATOM 0 HD3 ARG A 40 12.294 -4.297 1.382 1.00 12.12 H new ATOM 0 HE ARG A 40 14.234 -6.149 1.923 1.00 74.42 H new ATOM 0 HH11 ARG A 40 14.141 -3.527 -0.483 1.00 20.21 H new ATOM 0 HH12 ARG A 40 15.895 -3.317 -0.457 1.00 20.21 H new ATOM 0 HH21 ARG A 40 16.435 -5.849 1.944 1.00 74.45 H new ATOM 0 HH22 ARG A 40 17.188 -4.628 0.913 1.00 74.45 H new ATOM 689 N ARG A 41 8.622 -7.830 2.924 1.00 0.50 N ATOM 690 CA ARG A 41 7.265 -7.645 2.422 1.00 11.22 C ATOM 691 C ARG A 41 7.174 -6.293 1.701 1.00 32.04 C ATOM 692 O ARG A 41 7.301 -5.248 2.332 1.00 64.10 O ATOM 693 CB ARG A 41 6.261 -7.710 3.611 1.00 1.41 C ATOM 694 CG ARG A 41 6.086 -9.118 4.218 1.00 21.10 C ATOM 695 CD ARG A 41 5.405 -10.088 3.233 1.00 50.13 C ATOM 696 NE ARG A 41 5.320 -11.459 3.769 1.00 11.43 N ATOM 697 CZ ARG A 41 4.218 -12.227 3.783 1.00 35.41 C ATOM 698 NH1 ARG A 41 3.064 -11.775 3.305 1.00 23.42 N ATOM 699 NH2 ARG A 41 4.286 -13.464 4.253 1.00 34.44 N ATOM 0 H ARG A 41 8.713 -7.647 3.923 1.00 0.50 H new ATOM 0 HA ARG A 41 7.014 -8.435 1.714 1.00 11.22 H new ATOM 0 HB2 ARG A 41 6.597 -7.029 4.393 1.00 1.41 H new ATOM 0 HB3 ARG A 41 5.290 -7.350 3.271 1.00 1.41 H new ATOM 0 HG2 ARG A 41 7.061 -9.514 4.502 1.00 21.10 H new ATOM 0 HG3 ARG A 41 5.492 -9.049 5.129 1.00 21.10 H new ATOM 0 HD2 ARG A 41 4.402 -9.726 3.005 1.00 50.13 H new ATOM 0 HD3 ARG A 41 5.961 -10.100 2.295 1.00 50.13 H new ATOM 0 HE ARG A 41 6.172 -11.859 4.163 1.00 11.43 H new ATOM 0 HH11 ARG A 41 3.006 -10.832 2.920 1.00 23.42 H new ATOM 0 HH12 ARG A 41 2.236 -12.371 3.323 1.00 23.42 H new ATOM 0 HH21 ARG A 41 5.172 -13.829 4.602 1.00 34.44 H new ATOM 0 HH22 ARG A 41 3.452 -14.051 4.266 1.00 34.44 H new ATOM 713 N GLN A 42 7.012 -6.316 0.372 1.00 11.44 N ATOM 714 CA GLN A 42 6.718 -5.103 -0.414 1.00 0.34 C ATOM 715 C GLN A 42 5.256 -5.161 -0.880 1.00 43.51 C ATOM 716 O GLN A 42 4.759 -6.238 -1.212 1.00 60.40 O ATOM 717 CB GLN A 42 7.700 -4.952 -1.618 1.00 1.12 C ATOM 718 CG GLN A 42 7.507 -5.967 -2.766 1.00 2.35 C ATOM 719 CD GLN A 42 8.527 -5.853 -3.904 1.00 54.20 C ATOM 720 OE1 GLN A 42 8.860 -6.853 -4.538 1.00 52.52 O ATOM 721 NE2 GLN A 42 9.006 -4.652 -4.205 1.00 32.14 N ATOM 0 H GLN A 42 7.080 -7.166 -0.188 1.00 11.44 H new ATOM 0 HA GLN A 42 6.861 -4.222 0.211 1.00 0.34 H new ATOM 0 HB2 GLN A 42 7.596 -3.946 -2.025 1.00 1.12 H new ATOM 0 HB3 GLN A 42 8.720 -5.041 -1.245 1.00 1.12 H new ATOM 0 HG2 GLN A 42 7.556 -6.975 -2.353 1.00 2.35 H new ATOM 0 HG3 GLN A 42 6.507 -5.840 -3.180 1.00 2.35 H new ATOM 0 HE21 GLN A 42 8.715 -3.837 -3.665 1.00 32.14 H new ATOM 0 HE22 GLN A 42 9.665 -4.544 -4.976 1.00 32.14 H new ATOM 730 N LEU A 43 4.556 -4.022 -0.854 1.00 74.24 N ATOM 731 CA LEU A 43 3.184 -3.916 -1.363 1.00 53.45 C ATOM 732 C LEU A 43 3.176 -2.785 -2.391 1.00 11.00 C ATOM 733 O LEU A 43 3.311 -1.611 -2.039 1.00 13.10 O ATOM 734 CB LEU A 43 2.159 -3.638 -0.204 1.00 34.03 C ATOM 735 CG LEU A 43 0.799 -4.418 -0.257 1.00 13.41 C ATOM 736 CD1 LEU A 43 -0.112 -4.039 0.932 1.00 24.31 C ATOM 737 CD2 LEU A 43 0.076 -4.225 -1.608 1.00 13.20 C ATOM 0 H LEU A 43 4.924 -3.148 -0.480 1.00 74.24 H new ATOM 0 HA LEU A 43 2.875 -4.856 -1.821 1.00 53.45 H new ATOM 0 HB2 LEU A 43 2.646 -3.870 0.743 1.00 34.03 H new ATOM 0 HB3 LEU A 43 1.938 -2.571 -0.195 1.00 34.03 H new ATOM 0 HG LEU A 43 1.032 -5.479 -0.170 1.00 13.41 H new ATOM 0 HD11 LEU A 43 -1.046 -4.596 0.866 1.00 24.31 H new ATOM 0 HD12 LEU A 43 0.391 -4.283 1.868 1.00 24.31 H new ATOM 0 HD13 LEU A 43 -0.324 -2.970 0.902 1.00 24.31 H new ATOM 0 HD21 LEU A 43 -0.861 -4.782 -1.602 1.00 13.20 H new ATOM 0 HD22 LEU A 43 -0.132 -3.166 -1.761 1.00 13.20 H new ATOM 0 HD23 LEU A 43 0.710 -4.591 -2.416 1.00 13.20 H new ATOM 749 N THR A 44 3.040 -3.159 -3.659 1.00 65.04 N ATOM 750 CA THR A 44 2.977 -2.212 -4.760 1.00 20.41 C ATOM 751 C THR A 44 1.498 -1.907 -5.051 1.00 21.21 C ATOM 752 O THR A 44 0.807 -2.709 -5.676 1.00 23.21 O ATOM 753 CB THR A 44 3.677 -2.833 -6.016 1.00 35.11 C ATOM 754 OG1 THR A 44 5.020 -3.230 -5.665 1.00 4.45 O ATOM 755 CG2 THR A 44 3.715 -1.858 -7.209 1.00 14.52 C ATOM 0 H THR A 44 2.970 -4.134 -3.950 1.00 65.04 H new ATOM 0 HA THR A 44 3.491 -1.285 -4.505 1.00 20.41 H new ATOM 0 HB THR A 44 3.093 -3.699 -6.327 1.00 35.11 H new ATOM 0 HG1 THR A 44 5.461 -3.621 -6.448 1.00 4.45 H new ATOM 0 HG21 THR A 44 4.210 -2.336 -8.054 1.00 14.52 H new ATOM 0 HG22 THR A 44 2.697 -1.588 -7.490 1.00 14.52 H new ATOM 0 HG23 THR A 44 4.264 -0.960 -6.927 1.00 14.52 H new ATOM 763 N ILE A 45 1.032 -0.745 -4.584 1.00 0.33 N ATOM 764 CA ILE A 45 -0.350 -0.274 -4.790 1.00 14.21 C ATOM 765 C ILE A 45 -0.335 0.721 -5.946 1.00 61.41 C ATOM 766 O ILE A 45 0.599 1.491 -6.062 1.00 23.52 O ATOM 767 CB ILE A 45 -0.937 0.392 -3.487 1.00 62.13 C ATOM 768 CG1 ILE A 45 -0.870 -0.623 -2.297 1.00 41.34 C ATOM 769 CG2 ILE A 45 -2.387 0.903 -3.713 1.00 34.45 C ATOM 770 CD1 ILE A 45 -1.460 -0.132 -0.991 1.00 52.23 C ATOM 0 H ILE A 45 1.605 -0.095 -4.046 1.00 0.33 H new ATOM 0 HA ILE A 45 -0.995 -1.121 -5.024 1.00 14.21 H new ATOM 0 HB ILE A 45 -0.329 1.262 -3.239 1.00 62.13 H new ATOM 0 HG12 ILE A 45 -1.389 -1.536 -2.590 1.00 41.34 H new ATOM 0 HG13 ILE A 45 0.173 -0.890 -2.127 1.00 41.34 H new ATOM 0 HG21 ILE A 45 -2.760 1.356 -2.795 1.00 34.45 H new ATOM 0 HG22 ILE A 45 -2.391 1.645 -4.511 1.00 34.45 H new ATOM 0 HG23 ILE A 45 -3.028 0.067 -3.992 1.00 34.45 H new ATOM 0 HD11 ILE A 45 -1.363 -0.909 -0.233 1.00 52.23 H new ATOM 0 HD12 ILE A 45 -0.928 0.761 -0.664 1.00 52.23 H new ATOM 0 HD13 ILE A 45 -2.514 0.106 -1.134 1.00 52.23 H new ATOM 782 N ARG A 46 -1.344 0.673 -6.820 1.00 43.25 N ATOM 783 CA ARG A 46 -1.418 1.524 -8.022 1.00 65.44 C ATOM 784 C ARG A 46 -2.854 2.020 -8.211 1.00 23.13 C ATOM 785 O ARG A 46 -3.816 1.298 -7.913 1.00 62.44 O ATOM 786 CB ARG A 46 -0.937 0.740 -9.276 1.00 65.13 C ATOM 787 CG ARG A 46 0.531 0.258 -9.219 1.00 55.21 C ATOM 788 CD ARG A 46 0.959 -0.502 -10.481 1.00 40.05 C ATOM 789 NE ARG A 46 0.025 -1.595 -10.809 1.00 53.12 N ATOM 790 CZ ARG A 46 0.245 -2.904 -10.612 1.00 61.15 C ATOM 791 NH1 ARG A 46 1.383 -3.346 -10.082 1.00 61.21 N ATOM 792 NH2 ARG A 46 -0.682 -3.768 -10.959 1.00 4.14 N ATOM 0 H ARG A 46 -2.139 0.042 -6.718 1.00 43.25 H new ATOM 0 HA ARG A 46 -0.761 2.384 -7.892 1.00 65.44 H new ATOM 0 HB2 ARG A 46 -1.583 -0.127 -9.415 1.00 65.13 H new ATOM 0 HB3 ARG A 46 -1.062 1.375 -10.153 1.00 65.13 H new ATOM 0 HG2 ARG A 46 1.185 1.118 -9.080 1.00 55.21 H new ATOM 0 HG3 ARG A 46 0.663 -0.387 -8.350 1.00 55.21 H new ATOM 0 HD2 ARG A 46 1.016 0.191 -11.320 1.00 40.05 H new ATOM 0 HD3 ARG A 46 1.959 -0.910 -10.337 1.00 40.05 H new ATOM 0 HE ARG A 46 -0.869 -1.332 -11.223 1.00 53.12 H new ATOM 0 HH11 ARG A 46 2.112 -2.684 -9.815 1.00 61.21 H new ATOM 0 HH12 ARG A 46 1.526 -4.346 -9.942 1.00 61.21 H new ATOM 0 HH21 ARG A 46 -1.555 -3.441 -11.372 1.00 4.14 H new ATOM 0 HH22 ARG A 46 -0.528 -4.766 -10.815 1.00 4.14 H new ATOM 806 N SER A 47 -2.987 3.259 -8.699 1.00 34.22 N ATOM 807 CA SER A 47 -4.280 3.902 -8.947 1.00 14.02 C ATOM 808 C SER A 47 -4.143 4.903 -10.106 1.00 64.51 C ATOM 809 O SER A 47 -3.053 5.438 -10.370 1.00 42.10 O ATOM 810 CB SER A 47 -4.787 4.606 -7.661 1.00 72.12 C ATOM 811 OG SER A 47 -6.025 5.272 -7.867 1.00 14.25 O ATOM 0 H SER A 47 -2.189 3.849 -8.935 1.00 34.22 H new ATOM 0 HA SER A 47 -5.013 3.145 -9.225 1.00 14.02 H new ATOM 0 HB2 SER A 47 -4.901 3.869 -6.866 1.00 72.12 H new ATOM 0 HB3 SER A 47 -4.041 5.326 -7.324 1.00 72.12 H new ATOM 0 HG SER A 47 -5.898 6.238 -7.763 1.00 14.25 H new ATOM 817 N ASN A 48 -5.270 5.129 -10.797 1.00 4.13 N ATOM 818 CA ASN A 48 -5.377 6.091 -11.913 1.00 44.11 C ATOM 819 C ASN A 48 -6.059 7.389 -11.448 1.00 32.23 C ATOM 820 O ASN A 48 -6.093 8.378 -12.190 1.00 24.12 O ATOM 821 CB ASN A 48 -6.164 5.470 -13.101 1.00 41.30 C ATOM 822 CG ASN A 48 -5.565 4.164 -13.632 1.00 34.03 C ATOM 823 OD1 ASN A 48 -4.356 3.920 -13.539 1.00 50.15 O ATOM 824 ND2 ASN A 48 -6.407 3.320 -14.210 1.00 1.24 N ATOM 0 H ASN A 48 -6.145 4.645 -10.597 1.00 4.13 H new ATOM 0 HA ASN A 48 -4.368 6.329 -12.250 1.00 44.11 H new ATOM 0 HB2 ASN A 48 -7.191 5.285 -12.786 1.00 41.30 H new ATOM 0 HB3 ASN A 48 -6.206 6.195 -13.914 1.00 41.30 H new ATOM 0 HD21 ASN A 48 -6.063 2.440 -14.594 1.00 1.24 H new ATOM 0 HD22 ASN A 48 -7.399 3.551 -14.271 1.00 1.24 H new ATOM 831 N ASP A 49 -6.584 7.381 -10.214 1.00 14.12 N ATOM 832 CA ASP A 49 -7.296 8.526 -9.623 1.00 71.41 C ATOM 833 C ASP A 49 -6.460 9.123 -8.486 1.00 32.32 C ATOM 834 O ASP A 49 -5.876 8.379 -7.692 1.00 13.11 O ATOM 835 CB ASP A 49 -8.678 8.070 -9.098 1.00 65.20 C ATOM 836 CG ASP A 49 -9.466 9.194 -8.392 1.00 63.32 C ATOM 837 OD1 ASP A 49 -9.730 10.238 -9.028 1.00 42.04 O ATOM 838 OD2 ASP A 49 -9.825 9.041 -7.212 1.00 63.54 O ATOM 0 H ASP A 49 -6.527 6.574 -9.593 1.00 14.12 H new ATOM 0 HA ASP A 49 -7.448 9.291 -10.384 1.00 71.41 H new ATOM 0 HB2 ASP A 49 -9.268 7.691 -9.932 1.00 65.20 H new ATOM 0 HB3 ASP A 49 -8.539 7.242 -8.403 1.00 65.20 H new ATOM 843 N LYS A 50 -6.428 10.469 -8.414 1.00 14.30 N ATOM 844 CA LYS A 50 -5.646 11.207 -7.413 1.00 33.31 C ATOM 845 C LYS A 50 -6.278 11.130 -6.023 1.00 62.35 C ATOM 846 O LYS A 50 -5.556 11.036 -5.027 1.00 25.04 O ATOM 847 CB LYS A 50 -5.434 12.698 -7.814 1.00 21.30 C ATOM 848 CG LYS A 50 -4.588 12.922 -9.084 1.00 63.32 C ATOM 849 CD LYS A 50 -3.256 12.137 -9.093 1.00 41.14 C ATOM 850 CE LYS A 50 -2.370 12.327 -7.845 1.00 31.41 C ATOM 851 NZ LYS A 50 -2.020 13.740 -7.604 1.00 71.34 N ATOM 0 H LYS A 50 -6.947 11.072 -9.052 1.00 14.30 H new ATOM 0 HA LYS A 50 -4.671 10.721 -7.377 1.00 33.31 H new ATOM 0 HB2 LYS A 50 -6.410 13.161 -7.961 1.00 21.30 H new ATOM 0 HB3 LYS A 50 -4.957 13.217 -6.983 1.00 21.30 H new ATOM 0 HG2 LYS A 50 -5.175 12.633 -9.956 1.00 63.32 H new ATOM 0 HG3 LYS A 50 -4.373 13.986 -9.183 1.00 63.32 H new ATOM 0 HD2 LYS A 50 -3.480 11.076 -9.201 1.00 41.14 H new ATOM 0 HD3 LYS A 50 -2.685 12.434 -9.972 1.00 41.14 H new ATOM 0 HE2 LYS A 50 -2.890 11.932 -6.972 1.00 31.41 H new ATOM 0 HE3 LYS A 50 -1.456 11.745 -7.962 1.00 31.41 H new ATOM 0 HZ1 LYS A 50 -1.424 13.810 -6.754 1.00 71.34 H new ATOM 0 HZ2 LYS A 50 -1.500 14.113 -8.423 1.00 71.34 H new ATOM 0 HZ3 LYS A 50 -2.889 14.294 -7.464 1.00 71.34 H new ATOM 865 N ASN A 51 -7.621 11.169 -5.963 1.00 24.04 N ATOM 866 CA ASN A 51 -8.360 11.152 -4.685 1.00 42.43 C ATOM 867 C ASN A 51 -8.144 9.800 -3.982 1.00 73.13 C ATOM 868 O ASN A 51 -8.016 9.737 -2.758 1.00 3.41 O ATOM 869 CB ASN A 51 -9.875 11.410 -4.913 1.00 24.11 C ATOM 870 CG ASN A 51 -10.159 12.674 -5.726 1.00 51.32 C ATOM 871 OD1 ASN A 51 -10.249 13.776 -5.185 1.00 72.03 O ATOM 872 ND2 ASN A 51 -10.302 12.522 -7.035 1.00 22.10 N ATOM 0 H ASN A 51 -8.220 11.213 -6.787 1.00 24.04 H new ATOM 0 HA ASN A 51 -7.978 11.952 -4.051 1.00 42.43 H new ATOM 0 HB2 ASN A 51 -10.309 10.552 -5.426 1.00 24.11 H new ATOM 0 HB3 ASN A 51 -10.372 11.489 -3.946 1.00 24.11 H new ATOM 0 HD21 ASN A 51 -10.492 13.332 -7.625 1.00 22.10 H new ATOM 0 HD22 ASN A 51 -10.222 11.595 -7.453 1.00 22.10 H new ATOM 879 N GLU A 52 -8.062 8.727 -4.804 1.00 71.11 N ATOM 880 CA GLU A 52 -7.886 7.356 -4.324 1.00 24.10 C ATOM 881 C GLU A 52 -6.436 7.104 -3.874 1.00 62.43 C ATOM 882 O GLU A 52 -6.217 6.635 -2.757 1.00 24.13 O ATOM 883 CB GLU A 52 -8.301 6.328 -5.411 1.00 13.12 C ATOM 884 CG GLU A 52 -8.397 4.869 -4.900 1.00 15.12 C ATOM 885 CD GLU A 52 -9.411 4.711 -3.747 1.00 13.13 C ATOM 886 OE1 GLU A 52 -10.633 4.682 -4.024 1.00 3.23 O ATOM 887 OE2 GLU A 52 -8.999 4.662 -2.566 1.00 61.03 O ATOM 0 H GLU A 52 -8.117 8.799 -5.820 1.00 71.11 H new ATOM 0 HA GLU A 52 -8.537 7.225 -3.460 1.00 24.10 H new ATOM 0 HB2 GLU A 52 -9.267 6.621 -5.823 1.00 13.12 H new ATOM 0 HB3 GLU A 52 -7.580 6.369 -6.228 1.00 13.12 H new ATOM 0 HG2 GLU A 52 -8.685 4.217 -5.725 1.00 15.12 H new ATOM 0 HG3 GLU A 52 -7.414 4.540 -4.562 1.00 15.12 H new ATOM 894 N VAL A 53 -5.449 7.429 -4.738 1.00 52.41 N ATOM 895 CA VAL A 53 -4.024 7.146 -4.447 1.00 71.04 C ATOM 896 C VAL A 53 -3.526 7.965 -3.230 1.00 31.32 C ATOM 897 O VAL A 53 -2.727 7.474 -2.444 1.00 61.22 O ATOM 898 CB VAL A 53 -3.098 7.373 -5.707 1.00 43.24 C ATOM 899 CG1 VAL A 53 -3.007 8.858 -6.114 1.00 33.43 C ATOM 900 CG2 VAL A 53 -1.696 6.754 -5.491 1.00 13.51 C ATOM 0 H VAL A 53 -5.610 7.884 -5.636 1.00 52.41 H new ATOM 0 HA VAL A 53 -3.958 6.088 -4.192 1.00 71.04 H new ATOM 0 HB VAL A 53 -3.568 6.853 -6.542 1.00 43.24 H new ATOM 0 HG11 VAL A 53 -2.359 8.958 -6.985 1.00 33.43 H new ATOM 0 HG12 VAL A 53 -4.002 9.230 -6.358 1.00 33.43 H new ATOM 0 HG13 VAL A 53 -2.596 9.437 -5.287 1.00 33.43 H new ATOM 0 HG21 VAL A 53 -1.082 6.926 -6.375 1.00 13.51 H new ATOM 0 HG22 VAL A 53 -1.223 7.217 -4.625 1.00 13.51 H new ATOM 0 HG23 VAL A 53 -1.794 5.682 -5.321 1.00 13.51 H new ATOM 910 N ASP A 54 -4.058 9.196 -3.073 1.00 32.00 N ATOM 911 CA ASP A 54 -3.749 10.073 -1.924 1.00 52.22 C ATOM 912 C ASP A 54 -4.380 9.518 -0.629 1.00 13.04 C ATOM 913 O ASP A 54 -3.766 9.593 0.447 1.00 11.13 O ATOM 914 CB ASP A 54 -4.253 11.512 -2.209 1.00 72.52 C ATOM 915 CG ASP A 54 -4.053 12.481 -1.026 1.00 52.22 C ATOM 916 OD1 ASP A 54 -2.905 12.905 -0.783 1.00 24.20 O ATOM 917 OD2 ASP A 54 -5.042 12.833 -0.351 1.00 12.23 O ATOM 0 H ASP A 54 -4.712 9.609 -3.738 1.00 32.00 H new ATOM 0 HA ASP A 54 -2.668 10.102 -1.784 1.00 52.22 H new ATOM 0 HB2 ASP A 54 -3.731 11.905 -3.082 1.00 72.52 H new ATOM 0 HB3 ASP A 54 -5.313 11.474 -2.461 1.00 72.52 H new ATOM 922 N ARG A 55 -5.593 8.946 -0.767 1.00 54.31 N ATOM 923 CA ARG A 55 -6.333 8.326 0.351 1.00 40.23 C ATOM 924 C ARG A 55 -5.537 7.158 0.940 1.00 74.23 C ATOM 925 O ARG A 55 -5.319 7.093 2.143 1.00 72.21 O ATOM 926 CB ARG A 55 -7.723 7.823 -0.123 1.00 60.54 C ATOM 927 CG ARG A 55 -8.545 7.113 0.979 1.00 70.30 C ATOM 928 CD ARG A 55 -9.961 6.738 0.530 1.00 35.13 C ATOM 929 NE ARG A 55 -10.752 6.158 1.630 1.00 15.02 N ATOM 930 CZ ARG A 55 -11.603 6.839 2.414 1.00 32.10 C ATOM 931 NH1 ARG A 55 -11.801 8.146 2.238 1.00 73.53 N ATOM 932 NH2 ARG A 55 -12.238 6.211 3.382 1.00 61.42 N ATOM 0 H ARG A 55 -6.088 8.901 -1.658 1.00 54.31 H new ATOM 0 HA ARG A 55 -6.476 9.084 1.121 1.00 40.23 H new ATOM 0 HB2 ARG A 55 -8.296 8.671 -0.500 1.00 60.54 H new ATOM 0 HB3 ARG A 55 -7.584 7.136 -0.958 1.00 60.54 H new ATOM 0 HG2 ARG A 55 -8.019 6.211 1.291 1.00 70.30 H new ATOM 0 HG3 ARG A 55 -8.608 7.763 1.852 1.00 70.30 H new ATOM 0 HD2 ARG A 55 -10.467 7.624 0.147 1.00 35.13 H new ATOM 0 HD3 ARG A 55 -9.904 6.024 -0.292 1.00 35.13 H new ATOM 0 HE ARG A 55 -10.644 5.160 1.810 1.00 15.02 H new ATOM 0 HH11 ARG A 55 -11.303 8.642 1.499 1.00 73.53 H new ATOM 0 HH12 ARG A 55 -12.451 8.649 2.842 1.00 73.53 H new ATOM 0 HH21 ARG A 55 -12.082 5.214 3.532 1.00 61.42 H new ATOM 0 HH22 ARG A 55 -12.886 6.721 3.982 1.00 61.42 H new ATOM 946 N ILE A 56 -5.095 6.263 0.049 1.00 5.23 N ATOM 947 CA ILE A 56 -4.351 5.054 0.414 1.00 31.14 C ATOM 948 C ILE A 56 -2.941 5.426 0.923 1.00 70.13 C ATOM 949 O ILE A 56 -2.429 4.798 1.853 1.00 74.34 O ATOM 950 CB ILE A 56 -4.261 4.082 -0.819 1.00 15.23 C ATOM 951 CG1 ILE A 56 -5.689 3.769 -1.382 1.00 33.40 C ATOM 952 CG2 ILE A 56 -3.514 2.775 -0.452 1.00 12.24 C ATOM 953 CD1 ILE A 56 -5.699 3.104 -2.747 1.00 24.24 C ATOM 0 H ILE A 56 -5.246 6.359 -0.955 1.00 5.23 H new ATOM 0 HA ILE A 56 -4.880 4.542 1.218 1.00 31.14 H new ATOM 0 HB ILE A 56 -3.687 4.583 -1.599 1.00 15.23 H new ATOM 0 HG12 ILE A 56 -6.211 3.124 -0.675 1.00 33.40 H new ATOM 0 HG13 ILE A 56 -6.254 4.699 -1.442 1.00 33.40 H new ATOM 0 HG21 ILE A 56 -3.469 2.124 -1.325 1.00 12.24 H new ATOM 0 HG22 ILE A 56 -2.502 3.014 -0.124 1.00 12.24 H new ATOM 0 HG23 ILE A 56 -4.045 2.266 0.352 1.00 12.24 H new ATOM 0 HD11 ILE A 56 -6.729 2.925 -3.057 1.00 24.24 H new ATOM 0 HD12 ILE A 56 -5.210 3.754 -3.472 1.00 24.24 H new ATOM 0 HD13 ILE A 56 -5.166 2.155 -2.693 1.00 24.24 H new ATOM 965 N LEU A 57 -2.357 6.486 0.321 1.00 53.54 N ATOM 966 CA LEU A 57 -1.004 6.981 0.657 1.00 14.14 C ATOM 967 C LEU A 57 -0.942 7.442 2.121 1.00 23.43 C ATOM 968 O LEU A 57 -0.003 7.093 2.840 1.00 13.23 O ATOM 969 CB LEU A 57 -0.607 8.140 -0.299 1.00 32.44 C ATOM 970 CG LEU A 57 0.835 8.720 -0.144 1.00 75.51 C ATOM 971 CD1 LEU A 57 1.914 7.645 -0.377 1.00 4.44 C ATOM 972 CD2 LEU A 57 1.041 9.935 -1.075 1.00 71.03 C ATOM 0 H LEU A 57 -2.814 7.025 -0.415 1.00 53.54 H new ATOM 0 HA LEU A 57 -0.294 6.164 0.530 1.00 14.14 H new ATOM 0 HB2 LEU A 57 -0.723 7.789 -1.324 1.00 32.44 H new ATOM 0 HB3 LEU A 57 -1.317 8.955 -0.158 1.00 32.44 H new ATOM 0 HG LEU A 57 0.943 9.061 0.886 1.00 75.51 H new ATOM 0 HD11 LEU A 57 2.902 8.090 -0.260 1.00 4.44 H new ATOM 0 HD12 LEU A 57 1.790 6.841 0.349 1.00 4.44 H new ATOM 0 HD13 LEU A 57 1.815 7.242 -1.385 1.00 4.44 H new ATOM 0 HD21 LEU A 57 2.052 10.322 -0.950 1.00 71.03 H new ATOM 0 HD22 LEU A 57 0.896 9.628 -2.111 1.00 71.03 H new ATOM 0 HD23 LEU A 57 0.321 10.713 -0.822 1.00 71.03 H new ATOM 984 N GLU A 58 -1.968 8.194 2.556 1.00 72.22 N ATOM 985 CA GLU A 58 -2.046 8.701 3.934 1.00 32.41 C ATOM 986 C GLU A 58 -2.525 7.593 4.884 1.00 4.41 C ATOM 987 O GLU A 58 -2.100 7.550 6.029 1.00 24.01 O ATOM 988 CB GLU A 58 -2.971 9.942 4.022 1.00 74.52 C ATOM 989 CG GLU A 58 -4.474 9.671 3.754 1.00 2.10 C ATOM 990 CD GLU A 58 -5.327 10.939 3.629 1.00 34.34 C ATOM 991 OE1 GLU A 58 -5.330 11.765 4.574 1.00 54.15 O ATOM 992 OE2 GLU A 58 -6.014 11.119 2.597 1.00 31.42 O ATOM 0 H GLU A 58 -2.757 8.464 1.969 1.00 72.22 H new ATOM 0 HA GLU A 58 -1.047 9.011 4.240 1.00 32.41 H new ATOM 0 HB2 GLU A 58 -2.870 10.380 5.015 1.00 74.52 H new ATOM 0 HB3 GLU A 58 -2.620 10.687 3.308 1.00 74.52 H new ATOM 0 HG2 GLU A 58 -4.569 9.090 2.837 1.00 2.10 H new ATOM 0 HG3 GLU A 58 -4.871 9.057 4.563 1.00 2.10 H new ATOM 999 N GLU A 59 -3.390 6.688 4.368 1.00 40.42 N ATOM 1000 CA GLU A 59 -4.051 5.643 5.175 1.00 54.23 C ATOM 1001 C GLU A 59 -3.037 4.635 5.732 1.00 32.32 C ATOM 1002 O GLU A 59 -3.106 4.274 6.906 1.00 5.25 O ATOM 1003 CB GLU A 59 -5.127 4.900 4.335 1.00 72.35 C ATOM 1004 CG GLU A 59 -5.967 3.867 5.127 1.00 72.33 C ATOM 1005 CD GLU A 59 -6.774 4.491 6.288 1.00 52.53 C ATOM 1006 OE1 GLU A 59 -7.928 4.916 6.061 1.00 12.34 O ATOM 1007 OE2 GLU A 59 -6.273 4.533 7.438 1.00 64.34 O ATOM 0 H GLU A 59 -3.647 6.664 3.381 1.00 40.42 H new ATOM 0 HA GLU A 59 -4.535 6.139 6.016 1.00 54.23 H new ATOM 0 HB2 GLU A 59 -5.801 5.637 3.898 1.00 72.35 H new ATOM 0 HB3 GLU A 59 -4.634 4.389 3.508 1.00 72.35 H new ATOM 0 HG2 GLU A 59 -6.654 3.369 4.444 1.00 72.33 H new ATOM 0 HG3 GLU A 59 -5.303 3.100 5.527 1.00 72.33 H new ATOM 1014 N VAL A 60 -2.109 4.184 4.875 1.00 12.53 N ATOM 1015 CA VAL A 60 -1.032 3.262 5.281 1.00 33.41 C ATOM 1016 C VAL A 60 -0.073 3.951 6.285 1.00 13.21 C ATOM 1017 O VAL A 60 0.401 3.320 7.226 1.00 21.30 O ATOM 1018 CB VAL A 60 -0.257 2.685 4.030 1.00 61.23 C ATOM 1019 CG1 VAL A 60 0.303 3.797 3.122 1.00 12.53 C ATOM 1020 CG2 VAL A 60 0.856 1.695 4.460 1.00 4.32 C ATOM 0 H VAL A 60 -2.081 4.444 3.889 1.00 12.53 H new ATOM 0 HA VAL A 60 -1.489 2.411 5.787 1.00 33.41 H new ATOM 0 HB VAL A 60 -0.986 2.132 3.438 1.00 61.23 H new ATOM 0 HG11 VAL A 60 0.826 3.348 2.278 1.00 12.53 H new ATOM 0 HG12 VAL A 60 -0.517 4.414 2.754 1.00 12.53 H new ATOM 0 HG13 VAL A 60 0.996 4.416 3.691 1.00 12.53 H new ATOM 0 HG21 VAL A 60 1.369 1.317 3.575 1.00 4.32 H new ATOM 0 HG22 VAL A 60 1.571 2.208 5.103 1.00 4.32 H new ATOM 0 HG23 VAL A 60 0.412 0.862 5.005 1.00 4.32 H new ATOM 1030 N ARG A 61 0.141 5.267 6.099 1.00 31.54 N ATOM 1031 CA ARG A 61 0.969 6.087 7.009 1.00 31.24 C ATOM 1032 C ARG A 61 0.266 6.298 8.377 1.00 63.32 C ATOM 1033 O ARG A 61 0.937 6.466 9.404 1.00 52.43 O ATOM 1034 CB ARG A 61 1.306 7.442 6.337 1.00 74.31 C ATOM 1035 CG ARG A 61 2.212 7.323 5.086 1.00 11.21 C ATOM 1036 CD ARG A 61 2.550 8.690 4.458 1.00 5.44 C ATOM 1037 NE ARG A 61 3.251 9.569 5.410 1.00 73.13 N ATOM 1038 CZ ARG A 61 3.782 10.770 5.131 1.00 32.32 C ATOM 1039 NH1 ARG A 61 3.713 11.287 3.909 1.00 55.10 N ATOM 1040 NH2 ARG A 61 4.377 11.455 6.095 1.00 14.13 N ATOM 0 H ARG A 61 -0.252 5.792 5.318 1.00 31.54 H new ATOM 0 HA ARG A 61 1.899 5.554 7.205 1.00 31.24 H new ATOM 0 HB2 ARG A 61 0.376 7.935 6.053 1.00 74.31 H new ATOM 0 HB3 ARG A 61 1.797 8.085 7.068 1.00 74.31 H new ATOM 0 HG2 ARG A 61 3.137 6.816 5.360 1.00 11.21 H new ATOM 0 HG3 ARG A 61 1.716 6.700 4.342 1.00 11.21 H new ATOM 0 HD2 ARG A 61 3.171 8.541 3.575 1.00 5.44 H new ATOM 0 HD3 ARG A 61 1.632 9.174 4.124 1.00 5.44 H new ATOM 0 HE ARG A 61 3.341 9.234 6.369 1.00 73.13 H new ATOM 0 HH11 ARG A 61 3.250 10.770 3.162 1.00 55.10 H new ATOM 0 HH12 ARG A 61 4.123 12.201 3.718 1.00 55.10 H new ATOM 0 HH21 ARG A 61 4.428 11.069 7.038 1.00 14.13 H new ATOM 0 HH22 ARG A 61 4.784 12.369 5.895 1.00 14.13 H new ATOM 1054 N ARG A 62 -1.086 6.281 8.369 1.00 33.33 N ATOM 1055 CA ARG A 62 -1.911 6.345 9.598 1.00 52.45 C ATOM 1056 C ARG A 62 -1.862 5.005 10.339 1.00 12.35 C ATOM 1057 O ARG A 62 -1.704 4.950 11.562 1.00 1.22 O ATOM 1058 CB ARG A 62 -3.401 6.643 9.272 1.00 73.11 C ATOM 1059 CG ARG A 62 -3.693 8.027 8.680 1.00 52.51 C ATOM 1060 CD ARG A 62 -5.173 8.177 8.303 1.00 45.10 C ATOM 1061 NE ARG A 62 -5.459 9.470 7.674 1.00 64.52 N ATOM 1062 CZ ARG A 62 -6.688 9.993 7.526 1.00 21.41 C ATOM 1063 NH1 ARG A 62 -7.767 9.353 7.949 1.00 20.34 N ATOM 1064 NH2 ARG A 62 -6.835 11.165 6.942 1.00 73.21 N ATOM 0 H ARG A 62 -1.636 6.223 7.512 1.00 33.33 H new ATOM 0 HA ARG A 62 -1.502 7.147 10.212 1.00 52.45 H new ATOM 0 HB2 ARG A 62 -3.758 5.887 8.572 1.00 73.11 H new ATOM 0 HB3 ARG A 62 -3.983 6.530 10.187 1.00 73.11 H new ATOM 0 HG2 ARG A 62 -3.420 8.797 9.401 1.00 52.51 H new ATOM 0 HG3 ARG A 62 -3.074 8.184 7.797 1.00 52.51 H new ATOM 0 HD2 ARG A 62 -5.455 7.374 7.622 1.00 45.10 H new ATOM 0 HD3 ARG A 62 -5.786 8.067 9.197 1.00 45.10 H new ATOM 0 HE ARG A 62 -4.669 10.011 7.324 1.00 64.52 H new ATOM 0 HH11 ARG A 62 -7.676 8.442 8.399 1.00 20.34 H new ATOM 0 HH12 ARG A 62 -8.689 9.771 7.825 1.00 20.34 H new ATOM 0 HH21 ARG A 62 -6.017 11.672 6.604 1.00 73.21 H new ATOM 0 HH22 ARG A 62 -7.766 11.565 6.828 1.00 73.21 H new ATOM 1078 N LYS A 63 -2.019 3.926 9.555 1.00 41.14 N ATOM 1079 CA LYS A 63 -2.295 2.587 10.083 1.00 2.51 C ATOM 1080 C LYS A 63 -1.041 1.976 10.704 1.00 52.41 C ATOM 1081 O LYS A 63 -1.079 1.444 11.819 1.00 13.51 O ATOM 1082 CB LYS A 63 -2.814 1.659 8.934 1.00 61.20 C ATOM 1083 CG LYS A 63 -3.670 0.454 9.406 1.00 74.35 C ATOM 1084 CD LYS A 63 -5.054 0.906 9.939 1.00 21.34 C ATOM 1085 CE LYS A 63 -5.925 1.562 8.840 1.00 11.21 C ATOM 1086 NZ LYS A 63 -7.074 2.314 9.402 1.00 64.45 N ATOM 0 H LYS A 63 -1.957 3.961 8.537 1.00 41.14 H new ATOM 0 HA LYS A 63 -3.058 2.676 10.856 1.00 2.51 H new ATOM 0 HB2 LYS A 63 -3.406 2.258 8.242 1.00 61.20 H new ATOM 0 HB3 LYS A 63 -1.957 1.281 8.376 1.00 61.20 H new ATOM 0 HG2 LYS A 63 -3.809 -0.240 8.577 1.00 74.35 H new ATOM 0 HG3 LYS A 63 -3.137 -0.086 10.189 1.00 74.35 H new ATOM 0 HD2 LYS A 63 -5.581 0.045 10.350 1.00 21.34 H new ATOM 0 HD3 LYS A 63 -4.912 1.613 10.756 1.00 21.34 H new ATOM 0 HE2 LYS A 63 -5.308 2.237 8.246 1.00 11.21 H new ATOM 0 HE3 LYS A 63 -6.295 0.790 8.165 1.00 11.21 H new ATOM 0 HZ1 LYS A 63 -7.953 1.788 9.225 1.00 64.45 H new ATOM 0 HZ2 LYS A 63 -6.943 2.434 10.427 1.00 64.45 H new ATOM 0 HZ3 LYS A 63 -7.133 3.248 8.949 1.00 64.45 H new ATOM 1100 N VAL A 64 0.083 2.109 9.974 1.00 42.43 N ATOM 1101 CA VAL A 64 1.322 1.361 10.239 1.00 45.14 C ATOM 1102 C VAL A 64 2.562 2.270 9.969 1.00 44.25 C ATOM 1103 O VAL A 64 2.762 2.743 8.841 1.00 62.33 O ATOM 1104 CB VAL A 64 1.360 0.034 9.375 1.00 74.01 C ATOM 1105 CG1 VAL A 64 0.236 -0.946 9.795 1.00 22.23 C ATOM 1106 CG2 VAL A 64 1.277 0.319 7.859 1.00 75.43 C ATOM 0 H VAL A 64 0.155 2.744 9.179 1.00 42.43 H new ATOM 0 HA VAL A 64 1.350 1.066 11.288 1.00 45.14 H new ATOM 0 HB VAL A 64 2.324 -0.434 9.573 1.00 74.01 H new ATOM 0 HG11 VAL A 64 0.290 -1.846 9.183 1.00 22.23 H new ATOM 0 HG12 VAL A 64 0.360 -1.213 10.845 1.00 22.23 H new ATOM 0 HG13 VAL A 64 -0.734 -0.469 9.654 1.00 22.23 H new ATOM 0 HG21 VAL A 64 1.307 -0.622 7.310 1.00 75.43 H new ATOM 0 HG22 VAL A 64 0.345 0.839 7.637 1.00 75.43 H new ATOM 0 HG23 VAL A 64 2.120 0.941 7.559 1.00 75.43 H new ATOM 1116 N PRO A 65 3.394 2.580 11.014 1.00 32.22 N ATOM 1117 CA PRO A 65 4.546 3.499 10.868 1.00 12.31 C ATOM 1118 C PRO A 65 5.869 2.801 10.462 1.00 54.24 C ATOM 1119 O PRO A 65 6.758 3.448 9.897 1.00 41.22 O ATOM 1120 CB PRO A 65 4.611 4.130 12.279 1.00 13.20 C ATOM 1121 CG PRO A 65 4.187 3.024 13.220 1.00 11.04 C ATOM 1122 CD PRO A 65 3.258 2.108 12.424 1.00 22.15 C ATOM 0 HA PRO A 65 4.419 4.217 10.058 1.00 12.31 H new ATOM 0 HB2 PRO A 65 5.617 4.480 12.509 1.00 13.20 H new ATOM 0 HB3 PRO A 65 3.948 4.991 12.357 1.00 13.20 H new ATOM 0 HG2 PRO A 65 5.053 2.474 13.587 1.00 11.04 H new ATOM 0 HG3 PRO A 65 3.676 3.432 14.092 1.00 11.04 H new ATOM 0 HD2 PRO A 65 3.549 1.062 12.523 1.00 22.15 H new ATOM 0 HD3 PRO A 65 2.228 2.186 12.772 1.00 22.15 H new ATOM 1130 N ASN A 66 5.981 1.483 10.725 1.00 50.51 N ATOM 1131 CA ASN A 66 7.214 0.701 10.437 1.00 35.14 C ATOM 1132 C ASN A 66 7.293 0.367 8.937 1.00 32.31 C ATOM 1133 O ASN A 66 8.363 0.026 8.417 1.00 51.51 O ATOM 1134 CB ASN A 66 7.246 -0.608 11.261 1.00 22.24 C ATOM 1135 CG ASN A 66 7.047 -0.391 12.760 1.00 23.51 C ATOM 1136 OD1 ASN A 66 7.999 -0.243 13.521 1.00 21.34 O ATOM 1137 ND2 ASN A 66 5.793 -0.374 13.195 1.00 3.54 N ATOM 0 H ASN A 66 5.231 0.930 11.139 1.00 50.51 H new ATOM 0 HA ASN A 66 8.072 1.311 10.719 1.00 35.14 H new ATOM 0 HB2 ASN A 66 6.469 -1.278 10.893 1.00 22.24 H new ATOM 0 HB3 ASN A 66 8.201 -1.107 11.098 1.00 22.24 H new ATOM 0 HD21 ASN A 66 5.599 -0.235 14.187 1.00 3.54 H new ATOM 0 HD22 ASN A 66 5.023 -0.500 12.538 1.00 3.54 H new ATOM 1144 N ALA A 67 6.137 0.452 8.265 1.00 64.35 N ATOM 1145 CA ALA A 67 6.031 0.272 6.821 1.00 41.51 C ATOM 1146 C ALA A 67 6.555 1.530 6.096 1.00 14.03 C ATOM 1147 O ALA A 67 5.957 2.602 6.198 1.00 45.51 O ATOM 1148 CB ALA A 67 4.576 -0.035 6.444 1.00 24.13 C ATOM 0 H ALA A 67 5.244 0.650 8.718 1.00 64.35 H new ATOM 0 HA ALA A 67 6.645 -0.573 6.507 1.00 41.51 H new ATOM 0 HB1 ALA A 67 4.500 -0.169 5.365 1.00 24.13 H new ATOM 0 HB2 ALA A 67 4.255 -0.947 6.946 1.00 24.13 H new ATOM 0 HB3 ALA A 67 3.938 0.793 6.753 1.00 24.13 H new ATOM 1154 N ARG A 68 7.714 1.384 5.432 1.00 54.43 N ATOM 1155 CA ARG A 68 8.323 2.431 4.599 1.00 43.21 C ATOM 1156 C ARG A 68 7.439 2.685 3.355 1.00 51.03 C ATOM 1157 O ARG A 68 7.429 1.884 2.418 1.00 0.13 O ATOM 1158 CB ARG A 68 9.756 1.998 4.171 1.00 41.22 C ATOM 1159 CG ARG A 68 10.558 3.075 3.400 1.00 43.23 C ATOM 1160 CD ARG A 68 11.002 4.238 4.305 1.00 23.34 C ATOM 1161 NE ARG A 68 11.874 3.772 5.404 1.00 33.24 N ATOM 1162 CZ ARG A 68 12.355 4.531 6.403 1.00 61.15 C ATOM 1163 NH1 ARG A 68 12.072 5.829 6.483 1.00 12.14 N ATOM 1164 NH2 ARG A 68 13.116 3.971 7.330 1.00 31.34 N ATOM 0 H ARG A 68 8.260 0.523 5.460 1.00 54.43 H new ATOM 0 HA ARG A 68 8.396 3.355 5.172 1.00 43.21 H new ATOM 0 HB2 ARG A 68 10.317 1.717 5.063 1.00 41.22 H new ATOM 0 HB3 ARG A 68 9.680 1.107 3.548 1.00 41.22 H new ATOM 0 HG2 ARG A 68 11.436 2.615 2.947 1.00 43.23 H new ATOM 0 HG3 ARG A 68 9.947 3.465 2.586 1.00 43.23 H new ATOM 0 HD2 ARG A 68 11.532 4.981 3.709 1.00 23.34 H new ATOM 0 HD3 ARG A 68 10.124 4.731 4.721 1.00 23.34 H new ATOM 0 HE ARG A 68 12.134 2.786 5.404 1.00 33.24 H new ATOM 0 HH11 ARG A 68 11.479 6.266 5.777 1.00 12.14 H new ATOM 0 HH12 ARG A 68 12.448 6.387 7.250 1.00 12.14 H new ATOM 0 HH21 ARG A 68 13.331 2.975 7.280 1.00 31.34 H new ATOM 0 HH22 ARG A 68 13.488 4.535 8.094 1.00 31.34 H new ATOM 1178 N VAL A 69 6.698 3.793 3.386 1.00 25.04 N ATOM 1179 CA VAL A 69 5.747 4.185 2.336 1.00 72.25 C ATOM 1180 C VAL A 69 6.414 5.203 1.397 1.00 42.45 C ATOM 1181 O VAL A 69 6.668 6.341 1.801 1.00 61.10 O ATOM 1182 CB VAL A 69 4.460 4.801 2.986 1.00 71.23 C ATOM 1183 CG1 VAL A 69 3.447 5.267 1.919 1.00 41.41 C ATOM 1184 CG2 VAL A 69 3.818 3.795 3.968 1.00 21.54 C ATOM 0 H VAL A 69 6.740 4.460 4.157 1.00 25.04 H new ATOM 0 HA VAL A 69 5.457 3.307 1.759 1.00 72.25 H new ATOM 0 HB VAL A 69 4.759 5.686 3.547 1.00 71.23 H new ATOM 0 HG11 VAL A 69 2.569 5.688 2.410 1.00 41.41 H new ATOM 0 HG12 VAL A 69 3.908 6.026 1.287 1.00 41.41 H new ATOM 0 HG13 VAL A 69 3.147 4.417 1.306 1.00 41.41 H new ATOM 0 HG21 VAL A 69 2.926 4.238 4.411 1.00 21.54 H new ATOM 0 HG22 VAL A 69 3.544 2.887 3.431 1.00 21.54 H new ATOM 0 HG23 VAL A 69 4.531 3.550 4.756 1.00 21.54 H new ATOM 1194 N ARG A 70 6.700 4.791 0.153 1.00 32.11 N ATOM 1195 CA ARG A 70 7.384 5.639 -0.837 1.00 34.34 C ATOM 1196 C ARG A 70 6.551 5.665 -2.135 1.00 50.40 C ATOM 1197 O ARG A 70 6.416 4.653 -2.815 1.00 25.11 O ATOM 1198 CB ARG A 70 8.847 5.117 -1.088 1.00 42.23 C ATOM 1199 CG ARG A 70 9.888 6.220 -1.439 1.00 4.02 C ATOM 1200 CD ARG A 70 9.641 6.935 -2.787 1.00 21.01 C ATOM 1201 NE ARG A 70 10.570 8.064 -2.991 1.00 50.13 N ATOM 1202 CZ ARG A 70 10.634 8.832 -4.098 1.00 0.00 C ATOM 1203 NH1 ARG A 70 9.833 8.619 -5.130 1.00 21.22 N ATOM 1204 NH2 ARG A 70 11.484 9.846 -4.146 1.00 21.32 N ATOM 0 H ARG A 70 6.464 3.862 -0.196 1.00 32.11 H new ATOM 0 HA ARG A 70 7.470 6.659 -0.461 1.00 34.34 H new ATOM 0 HB2 ARG A 70 9.186 4.589 -0.197 1.00 42.23 H new ATOM 0 HB3 ARG A 70 8.823 4.390 -1.900 1.00 42.23 H new ATOM 0 HG2 ARG A 70 9.890 6.965 -0.643 1.00 4.02 H new ATOM 0 HG3 ARG A 70 10.881 5.771 -1.458 1.00 4.02 H new ATOM 0 HD2 ARG A 70 9.754 6.221 -3.603 1.00 21.01 H new ATOM 0 HD3 ARG A 70 8.614 7.299 -2.822 1.00 21.01 H new ATOM 0 HE ARG A 70 11.217 8.281 -2.233 1.00 50.13 H new ATOM 0 HH11 ARG A 70 9.150 7.862 -5.098 1.00 21.22 H new ATOM 0 HH12 ARG A 70 9.898 9.212 -5.957 1.00 21.22 H new ATOM 0 HH21 ARG A 70 12.087 10.044 -3.348 1.00 21.32 H new ATOM 0 HH22 ARG A 70 11.536 10.429 -4.981 1.00 21.32 H new ATOM 1218 N GLU A 71 6.021 6.849 -2.465 1.00 10.41 N ATOM 1219 CA GLU A 71 5.231 7.092 -3.684 1.00 0.31 C ATOM 1220 C GLU A 71 6.180 7.241 -4.889 1.00 3.41 C ATOM 1221 O GLU A 71 7.206 7.909 -4.788 1.00 22.41 O ATOM 1222 CB GLU A 71 4.384 8.381 -3.466 1.00 71.30 C ATOM 1223 CG GLU A 71 3.653 8.935 -4.713 1.00 31.53 C ATOM 1224 CD GLU A 71 2.706 7.930 -5.391 1.00 62.33 C ATOM 1225 OE1 GLU A 71 1.714 7.516 -4.755 1.00 1.35 O ATOM 1226 OE2 GLU A 71 2.945 7.568 -6.564 1.00 60.45 O ATOM 0 H GLU A 71 6.129 7.681 -1.885 1.00 10.41 H new ATOM 0 HA GLU A 71 4.561 6.257 -3.888 1.00 0.31 H new ATOM 0 HB2 GLU A 71 3.641 8.177 -2.695 1.00 71.30 H new ATOM 0 HB3 GLU A 71 5.040 9.161 -3.078 1.00 71.30 H new ATOM 0 HG2 GLU A 71 3.081 9.816 -4.423 1.00 31.53 H new ATOM 0 HG3 GLU A 71 4.396 9.263 -5.440 1.00 31.53 H new ATOM 1233 N THR A 72 5.824 6.598 -6.014 1.00 13.45 N ATOM 1234 CA THR A 72 6.624 6.566 -7.251 1.00 21.23 C ATOM 1235 C THR A 72 5.660 6.685 -8.449 1.00 23.32 C ATOM 1236 O THR A 72 4.863 5.785 -8.700 1.00 63.03 O ATOM 1237 CB THR A 72 7.461 5.234 -7.366 1.00 75.21 C ATOM 1238 OG1 THR A 72 6.614 4.087 -7.176 1.00 52.24 O ATOM 1239 CG2 THR A 72 8.621 5.177 -6.356 1.00 32.34 C ATOM 0 H THR A 72 4.952 6.074 -6.091 1.00 13.45 H new ATOM 0 HA THR A 72 7.332 7.394 -7.240 1.00 21.23 H new ATOM 0 HB THR A 72 7.887 5.222 -8.369 1.00 75.21 H new ATOM 0 HG1 THR A 72 5.765 4.370 -6.777 1.00 52.24 H new ATOM 0 HG21 THR A 72 9.164 4.240 -6.478 1.00 32.34 H new ATOM 0 HG22 THR A 72 9.297 6.014 -6.531 1.00 32.34 H new ATOM 0 HG23 THR A 72 8.224 5.237 -5.343 1.00 32.34 H new ATOM 1247 N GLU A 73 5.742 7.804 -9.172 1.00 72.52 N ATOM 1248 CA GLU A 73 4.818 8.126 -10.281 1.00 45.12 C ATOM 1249 C GLU A 73 5.545 8.063 -11.643 1.00 2.04 C ATOM 1250 O GLU A 73 6.635 8.622 -11.814 1.00 64.32 O ATOM 1251 CB GLU A 73 4.138 9.518 -10.054 1.00 4.22 C ATOM 1252 CG GLU A 73 5.052 10.766 -10.086 1.00 60.22 C ATOM 1253 CD GLU A 73 6.120 10.805 -8.979 1.00 53.00 C ATOM 1254 OE1 GLU A 73 5.779 11.140 -7.824 1.00 24.34 O ATOM 1255 OE2 GLU A 73 7.306 10.498 -9.250 1.00 71.53 O ATOM 0 H GLU A 73 6.451 8.520 -9.011 1.00 72.52 H new ATOM 0 HA GLU A 73 4.029 7.374 -10.297 1.00 45.12 H new ATOM 0 HB2 GLU A 73 3.367 9.645 -10.814 1.00 4.22 H new ATOM 0 HB3 GLU A 73 3.633 9.494 -9.088 1.00 4.22 H new ATOM 0 HG2 GLU A 73 5.550 10.811 -11.055 1.00 60.22 H new ATOM 0 HG3 GLU A 73 4.430 11.658 -10.005 1.00 60.22 H new ATOM 1262 N THR A 74 4.932 7.353 -12.598 1.00 1.03 N ATOM 1263 CA THR A 74 5.450 7.199 -13.963 1.00 31.14 C ATOM 1264 C THR A 74 5.118 8.451 -14.796 1.00 54.11 C ATOM 1265 O THR A 74 4.132 9.136 -14.508 1.00 63.34 O ATOM 1266 CB THR A 74 4.838 5.920 -14.630 1.00 40.35 C ATOM 1267 OG1 THR A 74 4.969 4.796 -13.735 1.00 34.32 O ATOM 1268 CG2 THR A 74 5.517 5.583 -15.971 1.00 61.13 C ATOM 0 H THR A 74 4.051 6.863 -12.442 1.00 1.03 H new ATOM 0 HA THR A 74 6.533 7.084 -13.921 1.00 31.14 H new ATOM 0 HB THR A 74 3.787 6.127 -14.830 1.00 40.35 H new ATOM 0 HG1 THR A 74 4.584 3.998 -14.154 1.00 34.32 H new ATOM 0 HG21 THR A 74 5.060 4.689 -16.396 1.00 61.13 H new ATOM 0 HG22 THR A 74 5.393 6.417 -16.661 1.00 61.13 H new ATOM 0 HG23 THR A 74 6.579 5.403 -15.806 1.00 61.13 H new ATOM 1276 N GLY A 75 5.962 8.750 -15.810 1.00 31.10 N ATOM 1277 CA GLY A 75 5.737 9.871 -16.730 1.00 62.24 C ATOM 1278 C GLY A 75 5.756 11.214 -16.030 1.00 65.14 C ATOM 1279 O GLY A 75 4.821 12.003 -16.169 1.00 3.02 O ATOM 0 H GLY A 75 6.811 8.220 -16.007 1.00 31.10 H new ATOM 0 HA2 GLY A 75 6.503 9.859 -17.505 1.00 62.24 H new ATOM 0 HA3 GLY A 75 4.777 9.739 -17.229 1.00 62.24 H new ATOM 1283 N SER A 76 6.806 11.450 -15.240 1.00 11.30 N ATOM 1284 CA SER A 76 6.977 12.685 -14.471 1.00 13.24 C ATOM 1285 C SER A 76 7.648 13.769 -15.339 1.00 23.14 C ATOM 1286 O SER A 76 8.880 13.803 -15.466 1.00 15.53 O ATOM 1287 CB SER A 76 7.793 12.384 -13.192 1.00 43.02 C ATOM 1288 OG SER A 76 7.135 11.400 -12.414 1.00 70.24 O ATOM 0 H SER A 76 7.568 10.784 -15.115 1.00 11.30 H new ATOM 0 HA SER A 76 6.003 13.071 -14.171 1.00 13.24 H new ATOM 0 HB2 SER A 76 8.791 12.038 -13.461 1.00 43.02 H new ATOM 0 HB3 SER A 76 7.918 13.296 -12.608 1.00 43.02 H new ATOM 0 HG SER A 76 7.387 10.508 -12.733 1.00 70.24 H new ATOM 1294 N LEU A 77 6.815 14.604 -15.993 1.00 42.41 N ATOM 1295 CA LEU A 77 7.280 15.766 -16.765 1.00 42.41 C ATOM 1296 C LEU A 77 7.713 16.874 -15.786 1.00 40.22 C ATOM 1297 O LEU A 77 6.868 17.596 -15.234 1.00 74.23 O ATOM 1298 CB LEU A 77 6.181 16.292 -17.743 1.00 54.31 C ATOM 1299 CG LEU A 77 5.876 15.416 -19.013 1.00 51.54 C ATOM 1300 CD1 LEU A 77 5.190 14.081 -18.652 1.00 2.25 C ATOM 1301 CD2 LEU A 77 5.042 16.213 -20.046 1.00 73.21 C ATOM 0 H LEU A 77 5.802 14.488 -15.998 1.00 42.41 H new ATOM 0 HA LEU A 77 8.128 15.461 -17.378 1.00 42.41 H new ATOM 0 HB2 LEU A 77 5.254 16.407 -17.181 1.00 54.31 H new ATOM 0 HB3 LEU A 77 6.475 17.286 -18.080 1.00 54.31 H new ATOM 0 HG LEU A 77 6.834 15.165 -19.468 1.00 51.54 H new ATOM 0 HD11 LEU A 77 5.000 13.512 -19.562 1.00 2.25 H new ATOM 0 HD12 LEU A 77 5.839 13.505 -17.993 1.00 2.25 H new ATOM 0 HD13 LEU A 77 4.246 14.282 -18.146 1.00 2.25 H new ATOM 0 HD21 LEU A 77 4.844 15.586 -20.915 1.00 73.21 H new ATOM 0 HD22 LEU A 77 4.097 16.516 -19.595 1.00 73.21 H new ATOM 0 HD23 LEU A 77 5.597 17.098 -20.356 1.00 73.21 H new ATOM 1313 N GLU A 78 9.027 16.967 -15.546 1.00 14.13 N ATOM 1314 CA GLU A 78 9.616 17.958 -14.627 1.00 15.21 C ATOM 1315 C GLU A 78 9.918 19.280 -15.365 1.00 43.22 C ATOM 1316 O GLU A 78 9.583 19.441 -16.555 1.00 2.43 O ATOM 1317 CB GLU A 78 10.900 17.378 -13.970 1.00 43.15 C ATOM 1318 CG GLU A 78 12.055 17.090 -14.955 1.00 13.01 C ATOM 1319 CD GLU A 78 13.334 16.620 -14.249 1.00 45.04 C ATOM 1320 OE1 GLU A 78 14.164 17.478 -13.871 1.00 63.30 O ATOM 1321 OE2 GLU A 78 13.501 15.395 -14.036 1.00 0.23 O ATOM 0 H GLU A 78 9.717 16.356 -15.984 1.00 14.13 H new ATOM 0 HA GLU A 78 8.895 18.177 -13.840 1.00 15.21 H new ATOM 0 HB2 GLU A 78 11.252 18.078 -13.213 1.00 43.15 H new ATOM 0 HB3 GLU A 78 10.642 16.453 -13.454 1.00 43.15 H new ATOM 0 HG2 GLU A 78 11.738 16.329 -15.667 1.00 13.01 H new ATOM 0 HG3 GLU A 78 12.272 17.992 -15.528 1.00 13.01 H new ATOM 1328 N HIS A 79 10.541 20.229 -14.632 1.00 72.52 N ATOM 1329 CA HIS A 79 10.998 21.515 -15.174 1.00 15.21 C ATOM 1330 C HIS A 79 12.140 21.291 -16.183 1.00 70.32 C ATOM 1331 O HIS A 79 12.950 20.369 -16.023 1.00 42.32 O ATOM 1332 CB HIS A 79 11.478 22.459 -14.028 1.00 23.44 C ATOM 1333 CG HIS A 79 12.784 22.067 -13.358 1.00 4.22 C ATOM 1334 ND1 HIS A 79 13.860 22.915 -13.278 1.00 71.31 N ATOM 1335 CD2 HIS A 79 13.188 20.909 -12.768 1.00 45.55 C ATOM 1336 CE1 HIS A 79 14.854 22.316 -12.666 1.00 35.22 C ATOM 1337 NE2 HIS A 79 14.476 21.096 -12.346 1.00 43.05 N ATOM 0 H HIS A 79 10.740 20.116 -13.638 1.00 72.52 H new ATOM 0 HA HIS A 79 10.159 21.988 -15.684 1.00 15.21 H new ATOM 0 HB2 HIS A 79 11.586 23.466 -14.432 1.00 23.44 H new ATOM 0 HB3 HIS A 79 10.699 22.502 -13.267 1.00 23.44 H new ATOM 0 HD2 HIS A 79 12.601 20.010 -12.654 1.00 45.55 H new ATOM 0 HE1 HIS A 79 15.821 22.751 -12.459 1.00 35.22 H new ATOM 0 HE2 HIS A 79 15.049 20.404 -11.863 1.00 43.05 H new ATOM 1346 N HIS A 80 12.192 22.147 -17.198 1.00 44.51 N ATOM 1347 CA HIS A 80 13.267 22.169 -18.204 1.00 51.50 C ATOM 1348 C HIS A 80 13.772 23.606 -18.346 1.00 62.45 C ATOM 1349 O HIS A 80 13.000 24.561 -18.150 1.00 31.30 O ATOM 1350 CB HIS A 80 12.795 21.586 -19.568 1.00 23.13 C ATOM 1351 CG HIS A 80 11.476 22.136 -20.048 1.00 34.44 C ATOM 1352 ND1 HIS A 80 11.337 23.376 -20.632 1.00 75.42 N ATOM 1353 CD2 HIS A 80 10.233 21.605 -20.007 1.00 75.41 C ATOM 1354 CE1 HIS A 80 10.064 23.584 -20.911 1.00 41.21 C ATOM 1355 NE2 HIS A 80 9.375 22.525 -20.543 1.00 11.23 N ATOM 0 H HIS A 80 11.480 22.860 -17.354 1.00 44.51 H new ATOM 0 HA HIS A 80 14.085 21.530 -17.872 1.00 51.50 H new ATOM 0 HB2 HIS A 80 13.557 21.789 -20.321 1.00 23.13 H new ATOM 0 HB3 HIS A 80 12.714 20.503 -19.480 1.00 23.13 H new ATOM 0 HD2 HIS A 80 9.967 20.632 -19.621 1.00 75.41 H new ATOM 0 HE1 HIS A 80 9.656 24.475 -21.365 1.00 41.21 H new ATOM 0 HE2 HIS A 80 8.366 22.409 -20.641 1.00 11.23 H new ATOM 1364 N HIS A 81 15.069 23.738 -18.693 1.00 63.04 N ATOM 1365 CA HIS A 81 15.786 25.026 -18.743 1.00 52.32 C ATOM 1366 C HIS A 81 15.082 26.013 -19.695 1.00 72.04 C ATOM 1367 O HIS A 81 14.646 25.634 -20.790 1.00 52.32 O ATOM 1368 CB HIS A 81 17.255 24.822 -19.196 1.00 42.34 C ATOM 1369 CG HIS A 81 18.078 23.897 -18.333 1.00 3.23 C ATOM 1370 ND1 HIS A 81 18.601 22.711 -18.802 1.00 71.01 N ATOM 1371 CD2 HIS A 81 18.511 24.011 -17.054 1.00 35.20 C ATOM 1372 CE1 HIS A 81 19.324 22.147 -17.860 1.00 73.40 C ATOM 1373 NE2 HIS A 81 19.286 22.913 -16.792 1.00 11.33 N ATOM 0 H HIS A 81 15.654 22.942 -18.949 1.00 63.04 H new ATOM 0 HA HIS A 81 15.781 25.445 -17.737 1.00 52.32 H new ATOM 0 HB2 HIS A 81 17.252 24.434 -20.215 1.00 42.34 H new ATOM 0 HB3 HIS A 81 17.746 25.795 -19.227 1.00 42.34 H new ATOM 0 HD2 HIS A 81 18.287 24.816 -16.370 1.00 35.20 H new ATOM 0 HE1 HIS A 81 19.859 21.213 -17.948 1.00 73.40 H new ATOM 0 HE2 HIS A 81 19.759 22.720 -15.909 1.00 11.33 H new ATOM 1382 N HIS A 82 14.958 27.271 -19.245 1.00 31.23 N ATOM 1383 CA HIS A 82 14.339 28.364 -20.026 1.00 53.05 C ATOM 1384 C HIS A 82 15.370 29.021 -20.966 1.00 2.30 C ATOM 1385 O HIS A 82 15.022 29.908 -21.753 1.00 11.43 O ATOM 1386 CB HIS A 82 13.692 29.412 -19.073 1.00 61.54 C ATOM 1387 CG HIS A 82 12.641 28.837 -18.151 1.00 34.51 C ATOM 1388 ND1 HIS A 82 12.578 29.130 -16.809 1.00 30.54 N ATOM 1389 CD2 HIS A 82 11.605 27.989 -18.390 1.00 43.40 C ATOM 1390 CE1 HIS A 82 11.562 28.487 -16.267 1.00 34.35 C ATOM 1391 NE2 HIS A 82 10.957 27.795 -17.203 1.00 33.12 N ATOM 0 H HIS A 82 15.285 27.565 -18.324 1.00 31.23 H new ATOM 0 HA HIS A 82 13.551 27.941 -20.649 1.00 53.05 H new ATOM 0 HB2 HIS A 82 14.475 29.874 -18.472 1.00 61.54 H new ATOM 0 HB3 HIS A 82 13.242 30.204 -19.672 1.00 61.54 H new ATOM 0 HD2 HIS A 82 11.343 27.550 -19.342 1.00 43.40 H new ATOM 0 HE1 HIS A 82 11.276 28.524 -15.226 1.00 34.35 H new ATOM 0 HE2 HIS A 82 10.135 27.207 -17.067 1.00 33.12 H new ATOM 1400 N HIS A 83 16.641 28.573 -20.864 1.00 43.11 N ATOM 1401 CA HIS A 83 17.730 28.982 -21.765 1.00 30.32 C ATOM 1402 C HIS A 83 17.744 28.067 -23.000 1.00 1.11 C ATOM 1403 O HIS A 83 17.519 26.853 -22.875 1.00 24.22 O ATOM 1404 CB HIS A 83 19.110 28.897 -21.053 1.00 21.32 C ATOM 1405 CG HIS A 83 19.292 29.823 -19.885 1.00 34.43 C ATOM 1406 ND1 HIS A 83 20.403 30.615 -19.726 1.00 40.35 N ATOM 1407 CD2 HIS A 83 18.538 30.025 -18.776 1.00 1.04 C ATOM 1408 CE1 HIS A 83 20.324 31.263 -18.590 1.00 53.25 C ATOM 1409 NE2 HIS A 83 19.205 30.921 -17.991 1.00 20.50 N ATOM 0 H HIS A 83 16.937 27.912 -20.146 1.00 43.11 H new ATOM 0 HA HIS A 83 17.556 30.016 -22.062 1.00 30.32 H new ATOM 0 HB2 HIS A 83 19.260 27.873 -20.710 1.00 21.32 H new ATOM 0 HB3 HIS A 83 19.890 29.105 -21.785 1.00 21.32 H new ATOM 0 HD2 HIS A 83 17.587 29.563 -18.555 1.00 1.04 H new ATOM 0 HE1 HIS A 83 21.055 31.961 -18.210 1.00 53.25 H new ATOM 0 HE2 HIS A 83 18.887 31.269 -17.086 1.00 20.50 H new ATOM 1418 N HIS A 84 18.013 28.662 -24.171 1.00 5.32 N ATOM 1419 CA HIS A 84 18.152 27.930 -25.444 1.00 51.14 C ATOM 1420 C HIS A 84 19.495 27.148 -25.435 1.00 42.30 C ATOM 1421 O HIS A 84 20.553 27.763 -25.684 1.00 34.10 O ATOM 1422 CB HIS A 84 18.064 28.923 -26.641 1.00 14.33 C ATOM 1423 CG HIS A 84 18.097 28.264 -28.001 1.00 32.04 C ATOM 1424 ND1 HIS A 84 19.243 27.715 -28.541 1.00 55.40 N ATOM 1425 CD2 HIS A 84 17.124 28.071 -28.926 1.00 41.13 C ATOM 1426 CE1 HIS A 84 18.975 27.220 -29.731 1.00 31.11 C ATOM 1427 NE2 HIS A 84 17.698 27.426 -29.985 1.00 62.02 N ATOM 1428 OXT HIS A 84 19.490 25.934 -25.148 1.00 38.52 O ATOM 0 H HIS A 84 18.141 29.670 -24.265 1.00 5.32 H new ATOM 0 HA HIS A 84 17.340 27.212 -25.558 1.00 51.14 H new ATOM 0 HB2 HIS A 84 17.143 29.500 -26.552 1.00 14.33 H new ATOM 0 HB3 HIS A 84 18.891 29.630 -26.573 1.00 14.33 H new ATOM 0 HD2 HIS A 84 16.090 28.371 -28.841 1.00 41.13 H new ATOM 0 HE1 HIS A 84 19.680 26.730 -30.386 1.00 31.11 H new ATOM 0 HE2 HIS A 84 17.214 27.147 -30.839 1.00 62.02 H new TER 1437 HIS A 84