USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 536 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 17 CYS SG : rot -11:sc= -0.515 USER MOD Set 1.2: A 20 CYS SG : rot -20:sc= 0.624 USER MOD Set 1.3: A 69 TYR OH : rot -8:sc= -0.497 USER MOD Set 2.1: A 5 GLN : amide:sc= -0.688 K(o=0.44,f=-0.37!) USER MOD Set 2.2: A 35 THR OG1 : rot 157:sc= 1.12 USER MOD Set 3.1: A 11 GLN : amide:sc= -0.49 X(o=0.72,f=0.77) USER MOD Set 3.2: A 45 THR OG1 : rot 72:sc= 1.21 USER MOD Single : A 3 SER OG : rot 25:sc= 0.088 USER MOD Single : A 6 LYS NZ :NH3+ -131:sc= 0.961 (180deg=-1.9!) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 1.3 (180deg=1.02) USER MOD Single : A 31 MET CE :methyl -155:sc= -0.0474 (180deg=-0.331) USER MOD Single : A 38 ASN : amide:sc= 0.618 K(o=0.62,f=-0.14) USER MOD Single : A 40 ASN : amide:sc= -1.57 K(o=-1.6,f=-4.7!) USER MOD Single : A 43 THR OG1 : rot -52:sc= 0.785 USER MOD Single : A 47 ASN : amide:sc= 0.269 X(o=0.27,f=-0.0033) USER MOD Single : A 50 TYR OH : rot 180:sc= 0.003 USER MOD Single : A 55 THR OG1 : rot 75:sc= 1.41 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0326 X(o=-0.033,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 39 N SER A 3 -0.095 14.999 13.750 1.00 0.87 N ATOM 40 CA SER A 3 -0.072 13.952 12.733 1.00 0.57 C ATOM 41 C SER A 3 1.343 13.726 12.194 1.00 0.55 C ATOM 42 O SER A 3 1.735 14.310 11.184 1.00 0.89 O ATOM 43 CB SER A 3 -1.063 14.269 11.606 1.00 0.72 C ATOM 44 OG SER A 3 -2.367 14.368 12.148 1.00 0.94 O ATOM 0 HA SER A 3 -0.387 13.020 13.202 1.00 0.57 H new ATOM 0 HB2 SER A 3 -0.788 15.203 11.116 1.00 0.72 H new ATOM 0 HB3 SER A 3 -1.030 13.488 10.846 1.00 0.72 H new ATOM 0 HG SER A 3 -2.310 14.602 13.098 1.00 0.94 H new ATOM 50 N GLU A 4 2.117 12.872 12.871 1.00 0.46 N ATOM 51 CA GLU A 4 3.425 12.468 12.392 1.00 0.42 C ATOM 52 C GLU A 4 3.306 11.719 11.063 1.00 0.40 C ATOM 53 O GLU A 4 2.213 11.489 10.558 1.00 0.54 O ATOM 54 CB GLU A 4 4.118 11.614 13.454 1.00 0.47 C ATOM 55 CG GLU A 4 4.930 12.424 14.448 1.00 0.62 C ATOM 56 CD GLU A 4 5.946 11.549 15.170 1.00 0.97 C ATOM 57 OE1 GLU A 4 6.990 11.271 14.543 1.00 2.11 O ATOM 58 OE2 GLU A 4 5.650 11.159 16.319 1.00 1.79 O ATOM 0 H GLU A 4 1.849 12.449 13.760 1.00 0.46 H new ATOM 0 HA GLU A 4 4.032 13.355 12.212 1.00 0.42 H new ATOM 0 HB2 GLU A 4 3.366 11.039 13.994 1.00 0.47 H new ATOM 0 HB3 GLU A 4 4.774 10.896 12.961 1.00 0.47 H new ATOM 0 HG2 GLU A 4 5.446 13.232 13.928 1.00 0.62 H new ATOM 0 HG3 GLU A 4 4.263 12.887 15.175 1.00 0.62 H new ATOM 65 N GLN A 5 4.446 11.341 10.484 1.00 0.37 N ATOM 66 CA GLN A 5 4.506 10.517 9.294 1.00 0.35 C ATOM 67 C GLN A 5 5.555 9.437 9.502 1.00 0.36 C ATOM 68 O GLN A 5 6.625 9.715 10.038 1.00 0.43 O ATOM 69 CB GLN A 5 4.910 11.386 8.104 1.00 0.43 C ATOM 70 CG GLN A 5 3.870 12.465 7.773 1.00 0.51 C ATOM 71 CD GLN A 5 2.727 11.970 6.894 1.00 0.62 C ATOM 72 OE1 GLN A 5 1.961 12.779 6.387 1.00 1.18 O ATOM 73 NE2 GLN A 5 2.617 10.663 6.659 1.00 0.61 N ATOM 0 H GLN A 5 5.364 11.607 10.841 1.00 0.37 H new ATOM 0 HA GLN A 5 3.534 10.062 9.103 1.00 0.35 H new ATOM 0 HB2 GLN A 5 5.866 11.863 8.317 1.00 0.43 H new ATOM 0 HB3 GLN A 5 5.058 10.751 7.230 1.00 0.43 H new ATOM 0 HG2 GLN A 5 3.457 12.856 8.703 1.00 0.51 H new ATOM 0 HG3 GLN A 5 4.368 13.295 7.272 1.00 0.51 H new ATOM 0 HE21 GLN A 5 3.269 10.010 7.094 1.00 0.61 H new ATOM 0 HE22 GLN A 5 1.881 10.316 6.044 1.00 0.61 H new ATOM 82 N LYS A 6 5.257 8.227 9.035 1.00 0.34 N ATOM 83 CA LYS A 6 6.217 7.157 8.844 1.00 0.33 C ATOM 84 C LYS A 6 6.004 6.540 7.470 1.00 0.34 C ATOM 85 O LYS A 6 4.922 6.614 6.887 1.00 0.35 O ATOM 86 CB LYS A 6 6.123 6.091 9.944 1.00 0.39 C ATOM 87 CG LYS A 6 6.772 6.549 11.261 1.00 0.87 C ATOM 88 CD LYS A 6 7.959 5.686 11.730 1.00 1.07 C ATOM 89 CE LYS A 6 9.210 5.830 10.845 1.00 2.57 C ATOM 90 NZ LYS A 6 9.295 4.839 9.750 1.00 4.09 N ATOM 0 H LYS A 6 4.308 7.962 8.772 1.00 0.34 H new ATOM 0 HA LYS A 6 7.220 7.578 8.908 1.00 0.33 H new ATOM 0 HB2 LYS A 6 5.075 5.849 10.123 1.00 0.39 H new ATOM 0 HB3 LYS A 6 6.607 5.176 9.602 1.00 0.39 H new ATOM 0 HG2 LYS A 6 7.113 7.578 11.143 1.00 0.87 H new ATOM 0 HG3 LYS A 6 6.012 6.552 12.042 1.00 0.87 H new ATOM 0 HD2 LYS A 6 8.214 5.959 12.754 1.00 1.07 H new ATOM 0 HD3 LYS A 6 7.653 4.640 11.746 1.00 1.07 H new ATOM 0 HE2 LYS A 6 9.224 6.832 10.415 1.00 2.57 H new ATOM 0 HE3 LYS A 6 10.097 5.739 11.472 1.00 2.57 H new ATOM 0 HZ1 LYS A 6 10.240 4.405 9.747 1.00 4.09 H new ATOM 0 HZ2 LYS A 6 8.575 4.102 9.892 1.00 4.09 H new ATOM 0 HZ3 LYS A 6 9.129 5.313 8.839 1.00 4.09 H new ATOM 104 N GLU A 7 7.081 5.924 7.003 1.00 0.39 N ATOM 105 CA GLU A 7 7.234 5.136 5.815 1.00 0.34 C ATOM 106 C GLU A 7 7.291 3.735 6.382 1.00 0.49 C ATOM 107 O GLU A 7 8.137 3.463 7.243 1.00 1.02 O ATOM 108 CB GLU A 7 8.561 5.457 5.093 1.00 0.37 C ATOM 109 CG GLU A 7 9.218 6.801 5.452 1.00 0.48 C ATOM 110 CD GLU A 7 10.101 6.692 6.693 1.00 0.81 C ATOM 111 OE1 GLU A 7 9.547 6.363 7.767 1.00 0.84 O ATOM 112 OE2 GLU A 7 11.325 6.884 6.558 1.00 1.81 O ATOM 0 H GLU A 7 7.961 5.979 7.515 1.00 0.39 H new ATOM 0 HA GLU A 7 6.446 5.304 5.081 1.00 0.34 H new ATOM 0 HB2 GLU A 7 9.271 4.659 5.310 1.00 0.37 H new ATOM 0 HB3 GLU A 7 8.380 5.440 4.018 1.00 0.37 H new ATOM 0 HG2 GLU A 7 9.817 7.148 4.610 1.00 0.48 H new ATOM 0 HG3 GLU A 7 8.444 7.549 5.622 1.00 0.48 H new ATOM 119 N ILE A 8 6.377 2.873 5.965 1.00 0.27 N ATOM 120 CA ILE A 8 6.476 1.470 6.230 1.00 0.28 C ATOM 121 C ILE A 8 6.990 0.816 4.944 1.00 0.24 C ATOM 122 O ILE A 8 7.015 1.456 3.889 1.00 0.25 O ATOM 123 CB ILE A 8 5.104 1.006 6.706 1.00 0.37 C ATOM 124 CG1 ILE A 8 4.435 1.872 7.780 1.00 1.12 C ATOM 125 CG2 ILE A 8 5.195 -0.435 7.148 1.00 0.80 C ATOM 126 CD1 ILE A 8 5.315 1.980 9.005 1.00 2.08 C ATOM 0 H ILE A 8 5.549 3.140 5.433 1.00 0.27 H new ATOM 0 HA ILE A 8 7.177 1.195 7.018 1.00 0.28 H new ATOM 0 HB ILE A 8 4.443 1.114 5.846 1.00 0.37 H new ATOM 0 HG12 ILE A 8 4.236 2.866 7.380 1.00 1.12 H new ATOM 0 HG13 ILE A 8 3.472 1.440 8.055 1.00 1.12 H new ATOM 0 HG21 ILE A 8 4.217 -0.773 7.490 1.00 0.80 H new ATOM 0 HG22 ILE A 8 5.520 -1.053 6.311 1.00 0.80 H new ATOM 0 HG23 ILE A 8 5.914 -0.521 7.963 1.00 0.80 H new ATOM 0 HD11 ILE A 8 4.821 2.599 9.754 1.00 2.08 H new ATOM 0 HD12 ILE A 8 5.492 0.986 9.415 1.00 2.08 H new ATOM 0 HD13 ILE A 8 6.267 2.434 8.730 1.00 2.08 H new ATOM 138 N ALA A 9 7.448 -0.432 5.035 1.00 0.25 N ATOM 139 CA ALA A 9 7.927 -1.229 3.919 1.00 0.26 C ATOM 140 C ALA A 9 7.398 -2.644 4.120 1.00 0.34 C ATOM 141 O ALA A 9 7.509 -3.154 5.235 1.00 0.47 O ATOM 142 CB ALA A 9 9.458 -1.238 3.908 1.00 0.33 C ATOM 0 H ALA A 9 7.495 -0.930 5.924 1.00 0.25 H new ATOM 0 HA ALA A 9 7.583 -0.819 2.969 1.00 0.26 H new ATOM 0 HB1 ALA A 9 9.812 -1.837 3.069 1.00 0.33 H new ATOM 0 HB2 ALA A 9 9.827 -0.217 3.807 1.00 0.33 H new ATOM 0 HB3 ALA A 9 9.826 -1.666 4.840 1.00 0.33 H new ATOM 148 N MET A 10 6.824 -3.271 3.089 1.00 0.33 N ATOM 149 CA MET A 10 6.406 -4.667 3.167 1.00 0.49 C ATOM 150 C MET A 10 6.323 -5.292 1.766 1.00 0.27 C ATOM 151 O MET A 10 6.606 -4.614 0.780 1.00 0.22 O ATOM 152 CB MET A 10 5.139 -4.829 4.025 1.00 0.92 C ATOM 153 CG MET A 10 3.880 -4.206 3.417 1.00 1.14 C ATOM 154 SD MET A 10 3.528 -2.478 3.823 1.00 1.58 S ATOM 155 CE MET A 10 2.573 -2.729 5.338 1.00 2.00 C ATOM 0 H MET A 10 6.639 -2.829 2.189 1.00 0.33 H new ATOM 0 HA MET A 10 7.169 -5.241 3.693 1.00 0.49 H new ATOM 0 HB2 MET A 10 4.960 -5.891 4.191 1.00 0.92 H new ATOM 0 HB3 MET A 10 5.317 -4.380 5.002 1.00 0.92 H new ATOM 0 HG2 MET A 10 3.953 -4.289 2.333 1.00 1.14 H new ATOM 0 HG3 MET A 10 3.024 -4.806 3.726 1.00 1.14 H new ATOM 0 HE1 MET A 10 2.265 -1.763 5.738 1.00 2.00 H new ATOM 0 HE2 MET A 10 1.690 -3.328 5.116 1.00 2.00 H new ATOM 0 HE3 MET A 10 3.188 -3.248 6.074 1.00 2.00 H new ATOM 165 N GLN A 11 5.981 -6.583 1.687 1.00 0.30 N ATOM 166 CA GLN A 11 5.877 -7.355 0.451 1.00 0.25 C ATOM 167 C GLN A 11 4.446 -7.294 -0.099 1.00 0.26 C ATOM 168 O GLN A 11 3.523 -6.906 0.615 1.00 0.34 O ATOM 169 CB GLN A 11 6.274 -8.815 0.753 1.00 0.32 C ATOM 170 CG GLN A 11 7.791 -9.033 0.822 1.00 0.63 C ATOM 171 CD GLN A 11 8.457 -8.655 -0.490 1.00 1.14 C ATOM 172 OE1 GLN A 11 9.393 -7.864 -0.508 1.00 2.37 O ATOM 173 NE2 GLN A 11 7.925 -9.165 -1.596 1.00 0.78 N ATOM 0 H GLN A 11 5.762 -7.136 2.515 1.00 0.30 H new ATOM 0 HA GLN A 11 6.544 -6.938 -0.303 1.00 0.25 H new ATOM 0 HB2 GLN A 11 5.828 -9.116 1.701 1.00 0.32 H new ATOM 0 HB3 GLN A 11 5.856 -9.464 -0.017 1.00 0.32 H new ATOM 0 HG2 GLN A 11 8.211 -8.437 1.632 1.00 0.63 H new ATOM 0 HG3 GLN A 11 8.002 -10.077 1.053 1.00 0.63 H new ATOM 0 HE21 GLN A 11 7.146 -9.821 -1.532 1.00 0.78 H new ATOM 0 HE22 GLN A 11 8.296 -8.901 -2.509 1.00 0.78 H new ATOM 182 N VAL A 12 4.244 -7.707 -1.355 1.00 0.35 N ATOM 183 CA VAL A 12 2.928 -7.809 -1.981 1.00 0.47 C ATOM 184 C VAL A 12 2.760 -9.163 -2.669 1.00 0.33 C ATOM 185 O VAL A 12 3.750 -9.801 -3.011 1.00 0.41 O ATOM 186 CB VAL A 12 2.693 -6.647 -2.964 1.00 0.83 C ATOM 187 CG1 VAL A 12 2.168 -5.415 -2.224 1.00 2.16 C ATOM 188 CG2 VAL A 12 3.948 -6.272 -3.760 1.00 1.22 C ATOM 0 H VAL A 12 5.007 -7.984 -1.973 1.00 0.35 H new ATOM 0 HA VAL A 12 2.172 -7.736 -1.199 1.00 0.47 H new ATOM 0 HB VAL A 12 1.948 -6.997 -3.679 1.00 0.83 H new ATOM 0 HG11 VAL A 12 2.008 -4.604 -2.935 1.00 2.16 H new ATOM 0 HG12 VAL A 12 1.226 -5.659 -1.734 1.00 2.16 H new ATOM 0 HG13 VAL A 12 2.896 -5.103 -1.475 1.00 2.16 H new ATOM 0 HG21 VAL A 12 3.718 -5.447 -4.435 1.00 1.22 H new ATOM 0 HG22 VAL A 12 4.738 -5.969 -3.073 1.00 1.22 H new ATOM 0 HG23 VAL A 12 4.282 -7.133 -4.339 1.00 1.22 H new ATOM 198 N SER A 13 1.503 -9.581 -2.859 1.00 0.35 N ATOM 199 CA SER A 13 1.114 -10.807 -3.539 1.00 0.38 C ATOM 200 C SER A 13 -0.249 -10.597 -4.206 1.00 0.52 C ATOM 201 O SER A 13 -0.953 -9.633 -3.909 1.00 0.76 O ATOM 202 CB SER A 13 1.043 -11.969 -2.538 1.00 0.53 C ATOM 203 OG SER A 13 2.331 -12.288 -2.059 1.00 0.97 O ATOM 0 H SER A 13 0.700 -9.047 -2.526 1.00 0.35 H new ATOM 0 HA SER A 13 1.856 -11.054 -4.298 1.00 0.38 H new ATOM 0 HB2 SER A 13 0.395 -11.699 -1.704 1.00 0.53 H new ATOM 0 HB3 SER A 13 0.600 -12.842 -3.016 1.00 0.53 H new ATOM 0 HG SER A 13 2.268 -13.029 -1.421 1.00 0.97 H new ATOM 209 N GLY A 14 -0.627 -11.521 -5.095 1.00 0.56 N ATOM 210 CA GLY A 14 -1.869 -11.423 -5.846 1.00 0.74 C ATOM 211 C GLY A 14 -1.741 -10.314 -6.885 1.00 0.89 C ATOM 212 O GLY A 14 -2.399 -9.284 -6.782 1.00 1.74 O ATOM 0 H GLY A 14 -0.078 -12.353 -5.309 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -2.088 -12.372 -6.335 1.00 0.74 H new ATOM 0 HA3 GLY A 14 -2.700 -11.212 -5.172 1.00 0.74 H new ATOM 216 N MET A 15 -0.870 -10.528 -7.876 1.00 0.94 N ATOM 217 CA MET A 15 -0.533 -9.547 -8.890 1.00 0.97 C ATOM 218 C MET A 15 -0.222 -10.258 -10.204 1.00 1.03 C ATOM 219 O MET A 15 -0.019 -11.472 -10.211 1.00 1.28 O ATOM 220 CB MET A 15 0.659 -8.712 -8.398 1.00 0.95 C ATOM 221 CG MET A 15 2.000 -9.458 -8.384 1.00 0.97 C ATOM 222 SD MET A 15 2.944 -9.289 -9.922 1.00 1.55 S ATOM 223 CE MET A 15 3.535 -10.981 -10.130 1.00 2.48 C ATOM 0 H MET A 15 -0.373 -11.411 -7.990 1.00 0.94 H new ATOM 0 HA MET A 15 -1.372 -8.875 -9.068 1.00 0.97 H new ATOM 0 HB2 MET A 15 0.755 -7.831 -9.033 1.00 0.95 H new ATOM 0 HB3 MET A 15 0.445 -8.357 -7.390 1.00 0.95 H new ATOM 0 HG2 MET A 15 2.603 -9.087 -7.555 1.00 0.97 H new ATOM 0 HG3 MET A 15 1.815 -10.516 -8.196 1.00 0.97 H new ATOM 0 HE1 MET A 15 4.136 -11.047 -11.037 1.00 2.48 H new ATOM 0 HE2 MET A 15 4.143 -11.262 -9.270 1.00 2.48 H new ATOM 0 HE3 MET A 15 2.683 -11.657 -10.209 1.00 2.48 H new ATOM 233 N THR A 16 -0.163 -9.495 -11.298 1.00 0.96 N ATOM 234 CA THR A 16 0.350 -9.951 -12.585 1.00 1.06 C ATOM 235 C THR A 16 1.439 -8.994 -13.068 1.00 0.84 C ATOM 236 O THR A 16 2.578 -9.416 -13.264 1.00 1.27 O ATOM 237 CB THR A 16 -0.789 -10.069 -13.609 1.00 1.56 C ATOM 238 OG1 THR A 16 -1.737 -9.040 -13.401 1.00 1.84 O ATOM 239 CG2 THR A 16 -1.478 -11.434 -13.507 1.00 2.26 C ATOM 0 H THR A 16 -0.477 -8.525 -11.311 1.00 0.96 H new ATOM 0 HA THR A 16 0.788 -10.943 -12.470 1.00 1.06 H new ATOM 0 HB THR A 16 -0.360 -9.971 -14.606 1.00 1.56 H new ATOM 0 HG1 THR A 16 -2.458 -9.122 -14.059 1.00 1.84 H new ATOM 0 HG21 THR A 16 -2.281 -11.492 -14.242 1.00 2.26 H new ATOM 0 HG22 THR A 16 -0.752 -12.224 -13.699 1.00 2.26 H new ATOM 0 HG23 THR A 16 -1.893 -11.558 -12.507 1.00 2.26 H new ATOM 247 N CYS A 17 1.087 -7.721 -13.283 1.00 0.76 N ATOM 248 CA CYS A 17 1.990 -6.713 -13.819 1.00 1.19 C ATOM 249 C CYS A 17 2.377 -5.690 -12.751 1.00 1.24 C ATOM 250 O CYS A 17 1.607 -5.384 -11.839 1.00 2.17 O ATOM 251 CB CYS A 17 1.355 -6.059 -15.055 1.00 1.51 C ATOM 252 SG CYS A 17 -0.140 -5.113 -14.643 1.00 1.62 S ATOM 0 H CYS A 17 0.152 -7.364 -13.085 1.00 0.76 H new ATOM 0 HA CYS A 17 2.918 -7.192 -14.131 1.00 1.19 H new ATOM 0 HB2 CYS A 17 2.082 -5.398 -15.527 1.00 1.51 H new ATOM 0 HB3 CYS A 17 1.105 -6.830 -15.783 1.00 1.51 H new ATOM 0 HG CYS A 17 -0.494 -5.372 -13.419 1.00 1.62 H new ATOM 257 N ALA A 18 3.569 -5.106 -12.891 1.00 1.16 N ATOM 258 CA ALA A 18 4.047 -4.033 -12.030 1.00 1.15 C ATOM 259 C ALA A 18 3.364 -2.710 -12.403 1.00 0.96 C ATOM 260 O ALA A 18 4.039 -1.717 -12.667 1.00 1.71 O ATOM 261 CB ALA A 18 5.573 -3.941 -12.160 1.00 1.61 C ATOM 0 H ALA A 18 4.235 -5.372 -13.617 1.00 1.16 H new ATOM 0 HA ALA A 18 3.796 -4.243 -10.990 1.00 1.15 H new ATOM 0 HB1 ALA A 18 5.945 -3.141 -11.520 1.00 1.61 H new ATOM 0 HB2 ALA A 18 6.022 -4.887 -11.856 1.00 1.61 H new ATOM 0 HB3 ALA A 18 5.838 -3.730 -13.196 1.00 1.61 H new ATOM 267 N ALA A 19 2.028 -2.696 -12.445 1.00 0.69 N ATOM 268 CA ALA A 19 1.248 -1.538 -12.868 1.00 0.52 C ATOM 269 C ALA A 19 -0.056 -1.444 -12.083 1.00 0.42 C ATOM 270 O ALA A 19 -0.332 -0.403 -11.489 1.00 0.46 O ATOM 271 CB ALA A 19 1.011 -1.570 -14.379 1.00 0.62 C ATOM 0 H ALA A 19 1.456 -3.499 -12.183 1.00 0.69 H new ATOM 0 HA ALA A 19 1.818 -0.635 -12.649 1.00 0.52 H new ATOM 0 HB1 ALA A 19 0.428 -0.698 -14.674 1.00 0.62 H new ATOM 0 HB2 ALA A 19 1.969 -1.558 -14.898 1.00 0.62 H new ATOM 0 HB3 ALA A 19 0.467 -2.477 -14.643 1.00 0.62 H new ATOM 277 N CYS A 20 -0.856 -2.514 -12.019 1.00 0.41 N ATOM 278 CA CYS A 20 -1.967 -2.543 -11.065 1.00 0.39 C ATOM 279 C CYS A 20 -1.446 -2.291 -9.646 1.00 0.30 C ATOM 280 O CYS A 20 -2.044 -1.536 -8.877 1.00 0.31 O ATOM 281 CB CYS A 20 -2.773 -3.846 -11.179 1.00 0.52 C ATOM 282 SG CYS A 20 -1.731 -5.332 -11.154 1.00 2.51 S ATOM 0 H CYS A 20 -0.760 -3.348 -12.598 1.00 0.41 H new ATOM 0 HA CYS A 20 -2.662 -1.739 -11.308 1.00 0.39 H new ATOM 0 HB2 CYS A 20 -3.488 -3.897 -10.358 1.00 0.52 H new ATOM 0 HB3 CYS A 20 -3.350 -3.830 -12.104 1.00 0.52 H new ATOM 0 HG CYS A 20 -0.510 -5.011 -11.462 1.00 2.51 H new ATOM 287 N ALA A 21 -0.268 -2.849 -9.358 1.00 0.30 N ATOM 288 CA ALA A 21 0.510 -2.605 -8.153 1.00 0.30 C ATOM 289 C ALA A 21 0.655 -1.109 -7.827 1.00 0.27 C ATOM 290 O ALA A 21 0.772 -0.735 -6.663 1.00 0.32 O ATOM 291 CB ALA A 21 1.881 -3.274 -8.311 1.00 0.49 C ATOM 0 H ALA A 21 0.184 -3.511 -9.989 1.00 0.30 H new ATOM 0 HA ALA A 21 -0.023 -3.039 -7.307 1.00 0.30 H new ATOM 0 HB1 ALA A 21 2.476 -3.100 -7.415 1.00 0.49 H new ATOM 0 HB2 ALA A 21 1.748 -4.346 -8.456 1.00 0.49 H new ATOM 0 HB3 ALA A 21 2.394 -2.852 -9.175 1.00 0.49 H new ATOM 297 N ALA A 22 0.678 -0.235 -8.839 1.00 0.26 N ATOM 298 CA ALA A 22 0.650 1.202 -8.622 1.00 0.26 C ATOM 299 C ALA A 22 -0.744 1.633 -8.174 1.00 0.25 C ATOM 300 O ALA A 22 -0.902 2.289 -7.147 1.00 0.30 O ATOM 301 CB ALA A 22 1.068 1.939 -9.896 1.00 0.30 C ATOM 0 H ALA A 22 0.716 -0.508 -9.821 1.00 0.26 H new ATOM 0 HA ALA A 22 1.359 1.459 -7.835 1.00 0.26 H new ATOM 0 HB1 ALA A 22 1.043 3.014 -9.719 1.00 0.30 H new ATOM 0 HB2 ALA A 22 2.079 1.641 -10.174 1.00 0.30 H new ATOM 0 HB3 ALA A 22 0.381 1.688 -10.704 1.00 0.30 H new ATOM 307 N ARG A 23 -1.763 1.294 -8.968 1.00 0.29 N ATOM 308 CA ARG A 23 -3.128 1.736 -8.714 1.00 0.31 C ATOM 309 C ARG A 23 -3.582 1.367 -7.306 1.00 0.25 C ATOM 310 O ARG A 23 -4.215 2.197 -6.651 1.00 0.27 O ATOM 311 CB ARG A 23 -4.098 1.227 -9.789 1.00 0.51 C ATOM 312 CG ARG A 23 -3.970 2.062 -11.076 1.00 0.95 C ATOM 313 CD ARG A 23 -3.485 1.249 -12.277 1.00 1.44 C ATOM 314 NE ARG A 23 -4.557 0.407 -12.832 1.00 2.07 N ATOM 315 CZ ARG A 23 -4.497 -0.189 -14.033 1.00 3.35 C ATOM 316 NH1 ARG A 23 -3.337 -0.219 -14.698 1.00 4.30 N ATOM 317 NH2 ARG A 23 -5.594 -0.738 -14.569 1.00 4.23 N ATOM 0 H ARG A 23 -1.662 0.710 -9.798 1.00 0.29 H new ATOM 0 HA ARG A 23 -3.137 2.824 -8.774 1.00 0.31 H new ATOM 0 HB2 ARG A 23 -3.890 0.179 -10.007 1.00 0.51 H new ATOM 0 HB3 ARG A 23 -5.121 1.278 -9.416 1.00 0.51 H new ATOM 0 HG2 ARG A 23 -4.938 2.504 -11.312 1.00 0.95 H new ATOM 0 HG3 ARG A 23 -3.278 2.885 -10.900 1.00 0.95 H new ATOM 0 HD2 ARG A 23 -3.116 1.924 -13.049 1.00 1.44 H new ATOM 0 HD3 ARG A 23 -2.647 0.620 -11.977 1.00 1.44 H new ATOM 0 HE ARG A 23 -5.397 0.268 -12.270 1.00 2.07 H new ATOM 0 HH11 ARG A 23 -2.505 0.209 -14.292 1.00 4.30 H new ATOM 0 HH12 ARG A 23 -3.284 -0.670 -15.611 1.00 4.30 H new ATOM 0 HH21 ARG A 23 -6.480 -0.704 -14.064 1.00 4.23 H new ATOM 0 HH22 ARG A 23 -5.544 -1.190 -15.482 1.00 4.23 H new ATOM 331 N ILE A 24 -3.239 0.169 -6.819 1.00 0.28 N ATOM 332 CA ILE A 24 -3.576 -0.171 -5.440 1.00 0.31 C ATOM 333 C ILE A 24 -3.015 0.874 -4.469 1.00 0.31 C ATOM 334 O ILE A 24 -3.775 1.478 -3.720 1.00 0.36 O ATOM 335 CB ILE A 24 -3.245 -1.623 -5.062 1.00 0.38 C ATOM 336 CG1 ILE A 24 -1.738 -1.803 -4.906 1.00 0.41 C ATOM 337 CG2 ILE A 24 -3.854 -2.580 -6.093 1.00 0.49 C ATOM 338 CD1 ILE A 24 -1.255 -3.241 -4.786 1.00 0.49 C ATOM 0 H ILE A 24 -2.746 -0.556 -7.340 1.00 0.28 H new ATOM 0 HA ILE A 24 -4.662 -0.130 -5.353 1.00 0.31 H new ATOM 0 HB ILE A 24 -3.689 -1.863 -4.096 1.00 0.38 H new ATOM 0 HG12 ILE A 24 -1.245 -1.344 -5.763 1.00 0.41 H new ATOM 0 HG13 ILE A 24 -1.415 -1.255 -4.021 1.00 0.41 H new ATOM 0 HG21 ILE A 24 -3.616 -3.608 -5.820 1.00 0.49 H new ATOM 0 HG22 ILE A 24 -4.936 -2.451 -6.114 1.00 0.49 H new ATOM 0 HG23 ILE A 24 -3.443 -2.362 -7.079 1.00 0.49 H new ATOM 0 HD11 ILE A 24 -0.170 -3.253 -4.680 1.00 0.49 H new ATOM 0 HD12 ILE A 24 -1.710 -3.706 -3.912 1.00 0.49 H new ATOM 0 HD13 ILE A 24 -1.538 -3.796 -5.681 1.00 0.49 H new ATOM 350 N GLU A 25 -1.708 1.142 -4.529 1.00 0.29 N ATOM 351 CA GLU A 25 -1.045 2.117 -3.676 1.00 0.31 C ATOM 352 C GLU A 25 -1.669 3.503 -3.828 1.00 0.28 C ATOM 353 O GLU A 25 -1.811 4.240 -2.859 1.00 0.30 O ATOM 354 CB GLU A 25 0.457 2.148 -3.989 1.00 0.32 C ATOM 355 CG GLU A 25 1.190 1.066 -3.191 1.00 0.66 C ATOM 356 CD GLU A 25 1.371 1.484 -1.738 1.00 1.55 C ATOM 357 OE1 GLU A 25 2.302 2.287 -1.513 1.00 3.10 O ATOM 358 OE2 GLU A 25 0.579 1.010 -0.896 1.00 2.41 O ATOM 0 H GLU A 25 -1.077 0.678 -5.182 1.00 0.29 H new ATOM 0 HA GLU A 25 -1.179 1.816 -2.637 1.00 0.31 H new ATOM 0 HB2 GLU A 25 0.616 1.993 -5.056 1.00 0.32 H new ATOM 0 HB3 GLU A 25 0.866 3.129 -3.745 1.00 0.32 H new ATOM 0 HG2 GLU A 25 0.629 0.133 -3.237 1.00 0.66 H new ATOM 0 HG3 GLU A 25 2.164 0.875 -3.642 1.00 0.66 H new ATOM 365 N LYS A 26 -2.034 3.883 -5.049 1.00 0.30 N ATOM 366 CA LYS A 26 -2.541 5.221 -5.325 1.00 0.30 C ATOM 367 C LYS A 26 -3.948 5.386 -4.737 1.00 0.32 C ATOM 368 O LYS A 26 -4.232 6.378 -4.069 1.00 0.43 O ATOM 369 CB LYS A 26 -2.470 5.514 -6.829 1.00 0.38 C ATOM 370 CG LYS A 26 -1.031 5.417 -7.369 1.00 0.74 C ATOM 371 CD LYS A 26 -0.191 6.687 -7.172 1.00 1.22 C ATOM 372 CE LYS A 26 1.271 6.367 -7.534 1.00 0.73 C ATOM 373 NZ LYS A 26 2.125 7.571 -7.610 1.00 2.06 N ATOM 0 H LYS A 26 -1.987 3.277 -5.868 1.00 0.30 H new ATOM 0 HA LYS A 26 -1.913 5.965 -4.835 1.00 0.30 H new ATOM 0 HB2 LYS A 26 -3.107 4.811 -7.366 1.00 0.38 H new ATOM 0 HB3 LYS A 26 -2.863 6.512 -7.023 1.00 0.38 H new ATOM 0 HG2 LYS A 26 -0.528 4.584 -6.879 1.00 0.74 H new ATOM 0 HG3 LYS A 26 -1.070 5.184 -8.433 1.00 0.74 H new ATOM 0 HD2 LYS A 26 -0.569 7.493 -7.801 1.00 1.22 H new ATOM 0 HD3 LYS A 26 -0.259 7.030 -6.140 1.00 1.22 H new ATOM 0 HE2 LYS A 26 1.682 5.683 -6.791 1.00 0.73 H new ATOM 0 HE3 LYS A 26 1.297 5.849 -8.493 1.00 0.73 H new ATOM 0 HZ1 LYS A 26 3.096 7.293 -7.857 1.00 2.06 H new ATOM 0 HZ2 LYS A 26 1.754 8.215 -8.338 1.00 2.06 H new ATOM 0 HZ3 LYS A 26 2.127 8.054 -6.689 1.00 2.06 H new ATOM 387 N GLY A 27 -4.831 4.403 -4.941 1.00 0.31 N ATOM 388 CA GLY A 27 -6.135 4.394 -4.285 1.00 0.37 C ATOM 389 C GLY A 27 -5.967 4.306 -2.767 1.00 0.40 C ATOM 390 O GLY A 27 -6.663 4.971 -2.006 1.00 0.58 O ATOM 0 H GLY A 27 -4.663 3.606 -5.555 1.00 0.31 H new ATOM 0 HA2 GLY A 27 -6.686 5.298 -4.545 1.00 0.37 H new ATOM 0 HA3 GLY A 27 -6.723 3.548 -4.642 1.00 0.37 H new ATOM 394 N LEU A 28 -5.008 3.506 -2.317 1.00 0.36 N ATOM 395 CA LEU A 28 -4.650 3.396 -0.913 1.00 0.40 C ATOM 396 C LEU A 28 -4.192 4.761 -0.371 1.00 0.46 C ATOM 397 O LEU A 28 -4.533 5.142 0.747 1.00 0.69 O ATOM 398 CB LEU A 28 -3.660 2.242 -0.804 1.00 0.45 C ATOM 399 CG LEU A 28 -3.201 1.923 0.611 1.00 0.46 C ATOM 400 CD1 LEU A 28 -2.789 0.452 0.605 1.00 1.89 C ATOM 401 CD2 LEU A 28 -2.027 2.837 0.977 1.00 1.90 C ATOM 0 H LEU A 28 -4.451 2.908 -2.928 1.00 0.36 H new ATOM 0 HA LEU A 28 -5.490 3.149 -0.263 1.00 0.40 H new ATOM 0 HB2 LEU A 28 -4.116 1.349 -1.232 1.00 0.45 H new ATOM 0 HB3 LEU A 28 -2.785 2.475 -1.410 1.00 0.45 H new ATOM 0 HG LEU A 28 -3.983 2.090 1.352 1.00 0.46 H new ATOM 0 HD11 LEU A 28 -2.449 0.165 1.600 1.00 1.89 H new ATOM 0 HD12 LEU A 28 -3.643 -0.164 0.322 1.00 1.89 H new ATOM 0 HD13 LEU A 28 -1.981 0.303 -0.112 1.00 1.89 H new ATOM 0 HD21 LEU A 28 -1.694 2.613 1.990 1.00 1.90 H new ATOM 0 HD22 LEU A 28 -1.206 2.671 0.280 1.00 1.90 H new ATOM 0 HD23 LEU A 28 -2.345 3.878 0.922 1.00 1.90 H new ATOM 413 N LYS A 29 -3.496 5.559 -1.184 1.00 0.35 N ATOM 414 CA LYS A 29 -3.118 6.913 -0.812 1.00 0.41 C ATOM 415 C LYS A 29 -4.336 7.792 -0.538 1.00 0.45 C ATOM 416 O LYS A 29 -4.226 8.782 0.178 1.00 0.59 O ATOM 417 CB LYS A 29 -2.259 7.576 -1.896 1.00 0.42 C ATOM 418 CG LYS A 29 -1.341 8.652 -1.293 1.00 0.69 C ATOM 419 CD LYS A 29 -1.335 9.985 -2.062 1.00 0.75 C ATOM 420 CE LYS A 29 -1.962 11.134 -1.258 1.00 2.25 C ATOM 421 NZ LYS A 29 -3.412 10.997 -1.035 1.00 3.54 N ATOM 0 H LYS A 29 -3.182 5.281 -2.114 1.00 0.35 H new ATOM 0 HA LYS A 29 -2.535 6.823 0.105 1.00 0.41 H new ATOM 0 HB2 LYS A 29 -1.657 6.820 -2.400 1.00 0.42 H new ATOM 0 HB3 LYS A 29 -2.904 8.025 -2.651 1.00 0.42 H new ATOM 0 HG2 LYS A 29 -1.649 8.841 -0.265 1.00 0.69 H new ATOM 0 HG3 LYS A 29 -0.323 8.264 -1.254 1.00 0.69 H new ATOM 0 HD2 LYS A 29 -0.309 10.246 -2.322 1.00 0.75 H new ATOM 0 HD3 LYS A 29 -1.879 9.862 -2.998 1.00 0.75 H new ATOM 0 HE2 LYS A 29 -1.462 11.201 -0.292 1.00 2.25 H new ATOM 0 HE3 LYS A 29 -1.773 12.072 -1.780 1.00 2.25 H new ATOM 0 HZ1 LYS A 29 -3.781 11.870 -0.607 1.00 3.54 H new ATOM 0 HZ2 LYS A 29 -3.889 10.828 -1.944 1.00 3.54 H new ATOM 0 HZ3 LYS A 29 -3.591 10.196 -0.396 1.00 3.54 H new ATOM 435 N ARG A 30 -5.479 7.508 -1.164 1.00 0.41 N ATOM 436 CA ARG A 30 -6.681 8.315 -1.002 1.00 0.45 C ATOM 437 C ARG A 30 -7.325 8.118 0.379 1.00 0.50 C ATOM 438 O ARG A 30 -8.285 8.820 0.690 1.00 0.57 O ATOM 439 CB ARG A 30 -7.662 8.023 -2.155 1.00 0.49 C ATOM 440 CG ARG A 30 -7.609 9.065 -3.277 1.00 0.73 C ATOM 441 CD ARG A 30 -8.450 10.306 -2.944 1.00 1.58 C ATOM 442 NE ARG A 30 -8.720 11.124 -4.141 1.00 1.75 N ATOM 443 CZ ARG A 30 -9.611 10.819 -5.101 1.00 2.40 C ATOM 444 NH1 ARG A 30 -10.305 9.678 -5.026 1.00 3.38 N ATOM 445 NH2 ARG A 30 -9.801 11.649 -6.133 1.00 2.94 N ATOM 0 H ARG A 30 -5.594 6.714 -1.794 1.00 0.41 H new ATOM 0 HA ARG A 30 -6.403 9.368 -1.050 1.00 0.45 H new ATOM 0 HB2 ARG A 30 -7.440 7.040 -2.571 1.00 0.49 H new ATOM 0 HB3 ARG A 30 -8.676 7.979 -1.757 1.00 0.49 H new ATOM 0 HG2 ARG A 30 -6.574 9.362 -3.448 1.00 0.73 H new ATOM 0 HG3 ARG A 30 -7.970 8.619 -4.204 1.00 0.73 H new ATOM 0 HD2 ARG A 30 -9.394 9.995 -2.496 1.00 1.58 H new ATOM 0 HD3 ARG A 30 -7.928 10.910 -2.202 1.00 1.58 H new ATOM 0 HE ARG A 30 -8.190 11.989 -4.249 1.00 1.75 H new ATOM 0 HH11 ARG A 30 -10.158 9.042 -4.242 1.00 3.38 H new ATOM 0 HH12 ARG A 30 -10.982 9.444 -5.753 1.00 3.38 H new ATOM 0 HH21 ARG A 30 -9.269 12.517 -6.194 1.00 2.94 H new ATOM 0 HH22 ARG A 30 -10.478 11.414 -6.859 1.00 2.94 H new ATOM 459 N MET A 31 -6.827 7.189 1.204 1.00 0.50 N ATOM 460 CA MET A 31 -7.396 6.944 2.523 1.00 0.52 C ATOM 461 C MET A 31 -6.944 8.013 3.525 1.00 0.49 C ATOM 462 O MET A 31 -5.830 8.531 3.409 1.00 0.54 O ATOM 463 CB MET A 31 -7.006 5.535 2.985 1.00 0.56 C ATOM 464 CG MET A 31 -7.427 4.474 1.966 1.00 1.59 C ATOM 465 SD MET A 31 -9.116 4.562 1.309 1.00 3.17 S ATOM 466 CE MET A 31 -10.094 4.238 2.793 1.00 3.30 C ATOM 0 H MET A 31 -6.029 6.596 0.975 1.00 0.50 H new ATOM 0 HA MET A 31 -8.483 7.006 2.466 1.00 0.52 H new ATOM 0 HB2 MET A 31 -5.928 5.487 3.138 1.00 0.56 H new ATOM 0 HB3 MET A 31 -7.474 5.324 3.946 1.00 0.56 H new ATOM 0 HG2 MET A 31 -6.736 4.524 1.124 1.00 1.59 H new ATOM 0 HG3 MET A 31 -7.297 3.495 2.427 1.00 1.59 H new ATOM 0 HE1 MET A 31 -11.062 3.827 2.508 1.00 3.30 H new ATOM 0 HE2 MET A 31 -9.568 3.523 3.426 1.00 3.30 H new ATOM 0 HE3 MET A 31 -10.242 5.168 3.341 1.00 3.30 H new ATOM 476 N PRO A 32 -7.790 8.353 4.516 1.00 0.48 N ATOM 477 CA PRO A 32 -7.432 9.306 5.552 1.00 0.46 C ATOM 478 C PRO A 32 -6.165 8.818 6.255 1.00 0.51 C ATOM 479 O PRO A 32 -5.960 7.613 6.403 1.00 0.65 O ATOM 480 CB PRO A 32 -8.644 9.382 6.489 1.00 0.55 C ATOM 481 CG PRO A 32 -9.321 8.026 6.304 1.00 0.61 C ATOM 482 CD PRO A 32 -9.064 7.722 4.830 1.00 0.57 C ATOM 0 HA PRO A 32 -7.208 10.301 5.168 1.00 0.46 H new ATOM 0 HB2 PRO A 32 -8.342 9.542 7.524 1.00 0.55 H new ATOM 0 HB3 PRO A 32 -9.309 10.203 6.220 1.00 0.55 H new ATOM 0 HG2 PRO A 32 -8.890 7.266 6.956 1.00 0.61 H new ATOM 0 HG3 PRO A 32 -10.387 8.071 6.528 1.00 0.61 H new ATOM 0 HD2 PRO A 32 -9.023 6.647 4.653 1.00 0.57 H new ATOM 0 HD3 PRO A 32 -9.863 8.118 4.203 1.00 0.57 H new ATOM 490 N GLY A 33 -5.282 9.745 6.622 1.00 0.54 N ATOM 491 CA GLY A 33 -4.028 9.421 7.278 1.00 0.58 C ATOM 492 C GLY A 33 -2.892 9.103 6.301 1.00 0.48 C ATOM 493 O GLY A 33 -1.731 9.180 6.703 1.00 0.53 O ATOM 0 H GLY A 33 -5.422 10.744 6.470 1.00 0.54 H new ATOM 0 HA2 GLY A 33 -3.730 10.258 7.909 1.00 0.58 H new ATOM 0 HA3 GLY A 33 -4.181 8.565 7.935 1.00 0.58 H new ATOM 497 N VAL A 34 -3.176 8.736 5.040 1.00 0.50 N ATOM 498 CA VAL A 34 -2.131 8.386 4.081 1.00 0.35 C ATOM 499 C VAL A 34 -1.750 9.607 3.236 1.00 0.39 C ATOM 500 O VAL A 34 -2.598 10.212 2.580 1.00 0.63 O ATOM 501 CB VAL A 34 -2.539 7.177 3.224 1.00 0.35 C ATOM 502 CG1 VAL A 34 -1.316 6.691 2.434 1.00 0.29 C ATOM 503 CG2 VAL A 34 -3.049 6.018 4.092 1.00 0.53 C ATOM 0 H VAL A 34 -4.123 8.676 4.667 1.00 0.50 H new ATOM 0 HA VAL A 34 -1.240 8.083 4.631 1.00 0.35 H new ATOM 0 HB VAL A 34 -3.341 7.490 2.556 1.00 0.35 H new ATOM 0 HG11 VAL A 34 -1.595 5.833 1.823 1.00 0.29 H new ATOM 0 HG12 VAL A 34 -0.956 7.494 1.790 1.00 0.29 H new ATOM 0 HG13 VAL A 34 -0.527 6.401 3.127 1.00 0.29 H new ATOM 0 HG21 VAL A 34 -3.328 5.180 3.453 1.00 0.53 H new ATOM 0 HG22 VAL A 34 -2.263 5.704 4.778 1.00 0.53 H new ATOM 0 HG23 VAL A 34 -3.919 6.345 4.662 1.00 0.53 H new ATOM 513 N THR A 35 -0.462 9.959 3.246 1.00 0.33 N ATOM 514 CA THR A 35 0.066 11.181 2.648 1.00 0.46 C ATOM 515 C THR A 35 0.760 10.891 1.323 1.00 0.47 C ATOM 516 O THR A 35 0.638 11.683 0.392 1.00 0.75 O ATOM 517 CB THR A 35 0.978 11.887 3.659 1.00 0.61 C ATOM 518 OG1 THR A 35 0.235 12.891 4.315 1.00 1.02 O ATOM 519 CG2 THR A 35 2.265 12.489 3.087 1.00 1.06 C ATOM 0 H THR A 35 0.259 9.385 3.683 1.00 0.33 H new ATOM 0 HA THR A 35 -0.755 11.858 2.410 1.00 0.46 H new ATOM 0 HB THR A 35 1.317 11.110 4.344 1.00 0.61 H new ATOM 0 HG1 THR A 35 0.648 13.090 5.181 1.00 1.02 H new ATOM 0 HG21 THR A 35 2.833 12.962 3.888 1.00 1.06 H new ATOM 0 HG22 THR A 35 2.866 11.700 2.634 1.00 1.06 H new ATOM 0 HG23 THR A 35 2.014 13.233 2.331 1.00 1.06 H new ATOM 527 N ASP A 36 1.465 9.763 1.215 1.00 0.30 N ATOM 528 CA ASP A 36 2.067 9.346 -0.039 1.00 0.34 C ATOM 529 C ASP A 36 2.120 7.829 -0.075 1.00 0.24 C ATOM 530 O ASP A 36 1.946 7.173 0.950 1.00 0.21 O ATOM 531 CB ASP A 36 3.448 9.992 -0.249 1.00 0.53 C ATOM 532 CG ASP A 36 3.390 11.092 -1.300 1.00 0.87 C ATOM 533 OD1 ASP A 36 2.897 10.780 -2.408 1.00 1.50 O ATOM 534 OD2 ASP A 36 3.848 12.211 -0.984 1.00 2.13 O ATOM 0 H ASP A 36 1.630 9.122 1.991 1.00 0.30 H new ATOM 0 HA ASP A 36 1.454 9.692 -0.872 1.00 0.34 H new ATOM 0 HB2 ASP A 36 3.806 10.406 0.694 1.00 0.53 H new ATOM 0 HB3 ASP A 36 4.165 9.231 -0.556 1.00 0.53 H new ATOM 539 N ALA A 37 2.298 7.271 -1.268 1.00 0.28 N ATOM 540 CA ALA A 37 2.312 5.827 -1.470 1.00 0.31 C ATOM 541 C ALA A 37 3.103 5.479 -2.724 1.00 0.32 C ATOM 542 O ALA A 37 3.032 6.213 -3.712 1.00 0.38 O ATOM 543 CB ALA A 37 0.870 5.316 -1.530 1.00 0.46 C ATOM 0 H ALA A 37 2.437 7.809 -2.124 1.00 0.28 H new ATOM 0 HA ALA A 37 2.810 5.334 -0.635 1.00 0.31 H new ATOM 0 HB1 ALA A 37 0.873 4.237 -1.681 1.00 0.46 H new ATOM 0 HB2 ALA A 37 0.362 5.550 -0.595 1.00 0.46 H new ATOM 0 HB3 ALA A 37 0.348 5.797 -2.357 1.00 0.46 H new ATOM 549 N ASN A 38 3.908 4.411 -2.670 1.00 0.30 N ATOM 550 CA ASN A 38 4.930 4.154 -3.670 1.00 0.32 C ATOM 551 C ASN A 38 5.239 2.660 -3.693 1.00 0.27 C ATOM 552 O ASN A 38 5.862 2.126 -2.775 1.00 0.27 O ATOM 553 CB ASN A 38 6.223 4.979 -3.459 1.00 0.36 C ATOM 554 CG ASN A 38 6.292 5.909 -2.248 1.00 0.38 C ATOM 555 OD1 ASN A 38 6.510 7.106 -2.393 1.00 0.51 O ATOM 556 ND2 ASN A 38 6.156 5.376 -1.038 1.00 0.37 N ATOM 0 H ASN A 38 3.863 3.708 -1.932 1.00 0.30 H new ATOM 0 HA ASN A 38 4.532 4.474 -4.633 1.00 0.32 H new ATOM 0 HB2 ASN A 38 7.057 4.281 -3.391 1.00 0.36 H new ATOM 0 HB3 ASN A 38 6.384 5.582 -4.353 1.00 0.36 H new ATOM 0 HD21 ASN A 38 6.233 5.966 -0.209 1.00 0.37 H new ATOM 0 HD22 ASN A 38 5.975 4.377 -0.938 1.00 0.37 H new ATOM 563 N VAL A 39 4.843 1.985 -4.772 1.00 0.28 N ATOM 564 CA VAL A 39 5.098 0.570 -4.928 1.00 0.24 C ATOM 565 C VAL A 39 6.517 0.369 -5.470 1.00 0.21 C ATOM 566 O VAL A 39 6.790 0.617 -6.644 1.00 0.45 O ATOM 567 CB VAL A 39 3.981 -0.069 -5.775 1.00 0.33 C ATOM 568 CG1 VAL A 39 4.116 0.104 -7.294 1.00 0.65 C ATOM 569 CG2 VAL A 39 3.866 -1.541 -5.384 1.00 0.53 C ATOM 0 H VAL A 39 4.341 2.408 -5.552 1.00 0.28 H new ATOM 0 HA VAL A 39 5.068 0.050 -3.971 1.00 0.24 H new ATOM 0 HB VAL A 39 3.064 0.473 -5.546 1.00 0.33 H new ATOM 0 HG11 VAL A 39 3.278 -0.384 -7.792 1.00 0.65 H new ATOM 0 HG12 VAL A 39 4.117 1.166 -7.541 1.00 0.65 H new ATOM 0 HG13 VAL A 39 5.050 -0.347 -7.630 1.00 0.65 H new ATOM 0 HG21 VAL A 39 3.080 -2.013 -5.973 1.00 0.53 H new ATOM 0 HG22 VAL A 39 4.814 -2.043 -5.575 1.00 0.53 H new ATOM 0 HG23 VAL A 39 3.622 -1.618 -4.324 1.00 0.53 H new ATOM 579 N ASN A 40 7.450 -0.085 -4.633 1.00 0.29 N ATOM 580 CA ASN A 40 8.805 -0.384 -5.078 1.00 0.26 C ATOM 581 C ASN A 40 8.835 -1.806 -5.651 1.00 0.25 C ATOM 582 O ASN A 40 9.606 -2.671 -5.226 1.00 0.23 O ATOM 583 CB ASN A 40 9.778 -0.174 -3.913 1.00 0.28 C ATOM 584 CG ASN A 40 11.231 -0.188 -4.375 1.00 0.34 C ATOM 585 OD1 ASN A 40 11.538 -0.531 -5.513 1.00 0.52 O ATOM 586 ND2 ASN A 40 12.145 0.216 -3.498 1.00 0.63 N ATOM 0 H ASN A 40 7.288 -0.253 -3.640 1.00 0.29 H new ATOM 0 HA ASN A 40 9.122 0.289 -5.874 1.00 0.26 H new ATOM 0 HB2 ASN A 40 9.561 0.777 -3.426 1.00 0.28 H new ATOM 0 HB3 ASN A 40 9.626 -0.955 -3.168 1.00 0.28 H new ATOM 0 HD21 ASN A 40 13.129 0.246 -3.764 1.00 0.63 H new ATOM 0 HD22 ASN A 40 11.862 0.496 -2.559 1.00 0.63 H new ATOM 593 N LEU A 41 7.982 -2.035 -6.655 1.00 0.30 N ATOM 594 CA LEU A 41 7.813 -3.336 -7.287 1.00 0.34 C ATOM 595 C LEU A 41 9.080 -3.689 -8.075 1.00 0.39 C ATOM 596 O LEU A 41 9.367 -4.859 -8.306 1.00 0.45 O ATOM 597 CB LEU A 41 6.533 -3.320 -8.146 1.00 0.44 C ATOM 598 CG LEU A 41 5.671 -4.599 -8.138 1.00 0.54 C ATOM 599 CD1 LEU A 41 6.379 -5.812 -8.745 1.00 1.01 C ATOM 600 CD2 LEU A 41 5.126 -4.971 -6.756 1.00 1.10 C ATOM 0 H LEU A 41 7.385 -1.310 -7.052 1.00 0.30 H new ATOM 0 HA LEU A 41 7.682 -4.122 -6.543 1.00 0.34 H new ATOM 0 HB2 LEU A 41 5.911 -2.490 -7.812 1.00 0.44 H new ATOM 0 HB3 LEU A 41 6.819 -3.110 -9.177 1.00 0.44 H new ATOM 0 HG LEU A 41 4.825 -4.337 -8.774 1.00 0.54 H new ATOM 0 HD11 LEU A 41 5.716 -6.677 -8.707 1.00 1.01 H new ATOM 0 HD12 LEU A 41 6.640 -5.600 -9.782 1.00 1.01 H new ATOM 0 HD13 LEU A 41 7.286 -6.025 -8.179 1.00 1.01 H new ATOM 0 HD21 LEU A 41 4.530 -5.881 -6.833 1.00 1.10 H new ATOM 0 HD22 LEU A 41 5.957 -5.138 -6.070 1.00 1.10 H new ATOM 0 HD23 LEU A 41 4.503 -4.160 -6.380 1.00 1.10 H new ATOM 612 N ALA A 42 9.897 -2.682 -8.409 1.00 0.39 N ATOM 613 CA ALA A 42 11.248 -2.878 -8.917 1.00 0.44 C ATOM 614 C ALA A 42 12.044 -3.866 -8.060 1.00 0.45 C ATOM 615 O ALA A 42 12.799 -4.662 -8.612 1.00 0.55 O ATOM 616 CB ALA A 42 11.986 -1.543 -8.971 1.00 0.45 C ATOM 0 H ALA A 42 9.630 -1.701 -8.331 1.00 0.39 H new ATOM 0 HA ALA A 42 11.161 -3.296 -9.920 1.00 0.44 H new ATOM 0 HB1 ALA A 42 12.995 -1.700 -9.352 1.00 0.45 H new ATOM 0 HB2 ALA A 42 11.452 -0.858 -9.630 1.00 0.45 H new ATOM 0 HB3 ALA A 42 12.039 -1.116 -7.970 1.00 0.45 H new ATOM 622 N THR A 43 11.882 -3.819 -6.729 1.00 0.42 N ATOM 623 CA THR A 43 12.436 -4.836 -5.843 1.00 0.52 C ATOM 624 C THR A 43 11.311 -5.575 -5.109 1.00 0.64 C ATOM 625 O THR A 43 11.473 -5.952 -3.950 1.00 1.24 O ATOM 626 CB THR A 43 13.496 -4.237 -4.900 1.00 0.55 C ATOM 627 OG1 THR A 43 14.060 -5.251 -4.092 1.00 0.73 O ATOM 628 CG2 THR A 43 12.954 -3.123 -3.999 1.00 0.61 C ATOM 0 H THR A 43 11.368 -3.081 -6.248 1.00 0.42 H new ATOM 0 HA THR A 43 12.961 -5.582 -6.440 1.00 0.52 H new ATOM 0 HB THR A 43 14.253 -3.791 -5.544 1.00 0.55 H new ATOM 0 HG1 THR A 43 13.344 -5.753 -3.650 1.00 0.73 H new ATOM 0 HG21 THR A 43 13.755 -2.748 -3.362 1.00 0.61 H new ATOM 0 HG22 THR A 43 12.570 -2.310 -4.616 1.00 0.61 H new ATOM 0 HG23 THR A 43 12.150 -3.517 -3.377 1.00 0.61 H new ATOM 636 N GLU A 44 10.179 -5.798 -5.783 1.00 0.36 N ATOM 637 CA GLU A 44 9.076 -6.615 -5.295 1.00 0.38 C ATOM 638 C GLU A 44 8.537 -6.169 -3.921 1.00 0.46 C ATOM 639 O GLU A 44 7.993 -6.982 -3.182 1.00 0.76 O ATOM 640 CB GLU A 44 9.505 -8.100 -5.341 1.00 0.43 C ATOM 641 CG GLU A 44 8.606 -8.928 -6.266 1.00 0.83 C ATOM 642 CD GLU A 44 7.202 -9.066 -5.695 1.00 2.59 C ATOM 643 OE1 GLU A 44 7.018 -10.003 -4.891 1.00 3.23 O ATOM 644 OE2 GLU A 44 6.354 -8.227 -6.066 1.00 4.15 O ATOM 0 H GLU A 44 10.005 -5.403 -6.707 1.00 0.36 H new ATOM 0 HA GLU A 44 8.219 -6.477 -5.954 1.00 0.38 H new ATOM 0 HB2 GLU A 44 10.538 -8.169 -5.682 1.00 0.43 H new ATOM 0 HB3 GLU A 44 9.473 -8.518 -4.335 1.00 0.43 H new ATOM 0 HG2 GLU A 44 8.557 -8.456 -7.247 1.00 0.83 H new ATOM 0 HG3 GLU A 44 9.041 -9.917 -6.410 1.00 0.83 H new ATOM 651 N THR A 45 8.680 -4.886 -3.566 1.00 0.27 N ATOM 652 CA THR A 45 8.350 -4.343 -2.257 1.00 0.25 C ATOM 653 C THR A 45 7.322 -3.215 -2.437 1.00 0.20 C ATOM 654 O THR A 45 7.172 -2.686 -3.535 1.00 0.25 O ATOM 655 CB THR A 45 9.669 -3.840 -1.643 1.00 0.32 C ATOM 656 OG1 THR A 45 10.629 -4.874 -1.583 1.00 0.63 O ATOM 657 CG2 THR A 45 9.509 -3.339 -0.216 1.00 0.46 C ATOM 0 H THR A 45 9.041 -4.180 -4.208 1.00 0.27 H new ATOM 0 HA THR A 45 7.904 -5.083 -1.592 1.00 0.25 H new ATOM 0 HB THR A 45 9.985 -3.024 -2.294 1.00 0.32 H new ATOM 0 HG1 THR A 45 10.951 -5.074 -2.487 1.00 0.63 H new ATOM 0 HG21 THR A 45 10.474 -2.998 0.160 1.00 0.46 H new ATOM 0 HG22 THR A 45 8.800 -2.511 -0.198 1.00 0.46 H new ATOM 0 HG23 THR A 45 9.139 -4.148 0.414 1.00 0.46 H new ATOM 665 N VAL A 46 6.619 -2.811 -1.376 1.00 0.20 N ATOM 666 CA VAL A 46 5.757 -1.632 -1.369 1.00 0.18 C ATOM 667 C VAL A 46 6.144 -0.724 -0.202 1.00 0.17 C ATOM 668 O VAL A 46 6.563 -1.238 0.838 1.00 0.24 O ATOM 669 CB VAL A 46 4.281 -2.058 -1.338 1.00 0.22 C ATOM 670 CG1 VAL A 46 3.934 -2.945 -0.139 1.00 0.35 C ATOM 671 CG2 VAL A 46 3.352 -0.843 -1.325 1.00 0.29 C ATOM 0 H VAL A 46 6.635 -3.304 -0.483 1.00 0.20 H new ATOM 0 HA VAL A 46 5.895 -1.056 -2.284 1.00 0.18 H new ATOM 0 HB VAL A 46 4.132 -2.639 -2.248 1.00 0.22 H new ATOM 0 HG11 VAL A 46 2.877 -3.210 -0.176 1.00 0.35 H new ATOM 0 HG12 VAL A 46 4.537 -3.852 -0.171 1.00 0.35 H new ATOM 0 HG13 VAL A 46 4.140 -2.405 0.785 1.00 0.35 H new ATOM 0 HG21 VAL A 46 2.315 -1.178 -1.303 1.00 0.29 H new ATOM 0 HG22 VAL A 46 3.557 -0.238 -0.442 1.00 0.29 H new ATOM 0 HG23 VAL A 46 3.521 -0.246 -2.221 1.00 0.29 H new ATOM 681 N ASN A 47 6.025 0.602 -0.377 1.00 0.17 N ATOM 682 CA ASN A 47 6.302 1.592 0.654 1.00 0.19 C ATOM 683 C ASN A 47 5.136 2.565 0.700 1.00 0.21 C ATOM 684 O ASN A 47 4.765 3.097 -0.342 1.00 0.32 O ATOM 685 CB ASN A 47 7.579 2.375 0.325 1.00 0.22 C ATOM 686 CG ASN A 47 8.846 1.603 0.655 1.00 0.25 C ATOM 687 OD1 ASN A 47 9.618 1.244 -0.228 1.00 0.29 O ATOM 688 ND2 ASN A 47 9.086 1.368 1.941 1.00 0.28 N ATOM 0 H ASN A 47 5.727 1.015 -1.261 1.00 0.17 H new ATOM 0 HA ASN A 47 6.436 1.087 1.611 1.00 0.19 H new ATOM 0 HB2 ASN A 47 7.580 2.630 -0.735 1.00 0.22 H new ATOM 0 HB3 ASN A 47 7.577 3.314 0.879 1.00 0.22 H new ATOM 0 HD21 ASN A 47 9.934 0.875 2.220 1.00 0.28 H new ATOM 0 HD22 ASN A 47 8.422 1.681 2.649 1.00 0.28 H new ATOM 695 N VAL A 48 4.597 2.846 1.887 1.00 0.18 N ATOM 696 CA VAL A 48 3.419 3.674 2.051 1.00 0.20 C ATOM 697 C VAL A 48 3.747 4.664 3.161 1.00 0.18 C ATOM 698 O VAL A 48 4.321 4.267 4.179 1.00 0.21 O ATOM 699 CB VAL A 48 2.178 2.800 2.308 1.00 0.27 C ATOM 700 CG1 VAL A 48 2.358 1.817 3.473 1.00 1.73 C ATOM 701 CG2 VAL A 48 0.936 3.675 2.509 1.00 1.63 C ATOM 0 H VAL A 48 4.977 2.497 2.767 1.00 0.18 H new ATOM 0 HA VAL A 48 3.164 4.236 1.152 1.00 0.20 H new ATOM 0 HB VAL A 48 2.039 2.187 1.418 1.00 0.27 H new ATOM 0 HG11 VAL A 48 1.447 1.232 3.600 1.00 1.73 H new ATOM 0 HG12 VAL A 48 3.192 1.148 3.259 1.00 1.73 H new ATOM 0 HG13 VAL A 48 2.564 2.372 4.389 1.00 1.73 H new ATOM 0 HG21 VAL A 48 0.069 3.040 2.689 1.00 1.63 H new ATOM 0 HG22 VAL A 48 1.089 4.332 3.365 1.00 1.63 H new ATOM 0 HG23 VAL A 48 0.766 4.276 1.616 1.00 1.63 H new ATOM 711 N ILE A 49 3.461 5.945 2.908 1.00 0.22 N ATOM 712 CA ILE A 49 3.855 7.071 3.731 1.00 0.24 C ATOM 713 C ILE A 49 2.596 7.617 4.408 1.00 0.23 C ATOM 714 O ILE A 49 1.762 8.259 3.756 1.00 0.33 O ATOM 715 CB ILE A 49 4.523 8.169 2.876 1.00 0.30 C ATOM 716 CG1 ILE A 49 5.543 7.645 1.851 1.00 0.42 C ATOM 717 CG2 ILE A 49 5.146 9.239 3.784 1.00 0.36 C ATOM 718 CD1 ILE A 49 6.669 6.830 2.483 1.00 0.34 C ATOM 0 H ILE A 49 2.926 6.227 2.087 1.00 0.22 H new ATOM 0 HA ILE A 49 4.582 6.751 4.477 1.00 0.24 H new ATOM 0 HB ILE A 49 3.728 8.613 2.277 1.00 0.30 H new ATOM 0 HG12 ILE A 49 5.025 7.028 1.116 1.00 0.42 H new ATOM 0 HG13 ILE A 49 5.973 8.489 1.312 1.00 0.42 H new ATOM 0 HG21 ILE A 49 5.615 10.009 3.171 1.00 0.36 H new ATOM 0 HG22 ILE A 49 4.369 9.690 4.401 1.00 0.36 H new ATOM 0 HG23 ILE A 49 5.898 8.779 4.426 1.00 0.36 H new ATOM 0 HD11 ILE A 49 7.353 6.491 1.705 1.00 0.34 H new ATOM 0 HD12 ILE A 49 7.210 7.450 3.197 1.00 0.34 H new ATOM 0 HD13 ILE A 49 6.248 5.967 2.998 1.00 0.34 H new ATOM 730 N TYR A 50 2.432 7.356 5.705 1.00 0.26 N ATOM 731 CA TYR A 50 1.195 7.670 6.404 1.00 0.27 C ATOM 732 C TYR A 50 1.451 8.067 7.844 1.00 0.26 C ATOM 733 O TYR A 50 2.563 7.914 8.345 1.00 0.28 O ATOM 734 CB TYR A 50 0.234 6.483 6.335 1.00 0.27 C ATOM 735 CG TYR A 50 0.648 5.244 7.105 1.00 0.27 C ATOM 736 CD1 TYR A 50 0.215 5.076 8.429 1.00 1.70 C ATOM 737 CD2 TYR A 50 1.326 4.194 6.463 1.00 1.45 C ATOM 738 CE1 TYR A 50 0.357 3.836 9.066 1.00 1.70 C ATOM 739 CE2 TYR A 50 1.399 2.930 7.077 1.00 1.46 C ATOM 740 CZ TYR A 50 0.846 2.735 8.354 1.00 0.40 C ATOM 741 OH TYR A 50 0.715 1.481 8.881 1.00 0.63 O ATOM 0 H TYR A 50 3.147 6.926 6.292 1.00 0.26 H new ATOM 0 HA TYR A 50 0.738 8.525 5.907 1.00 0.27 H new ATOM 0 HB2 TYR A 50 -0.739 6.807 6.704 1.00 0.27 H new ATOM 0 HB3 TYR A 50 0.102 6.209 5.288 1.00 0.27 H new ATOM 0 HD1 TYR A 50 -0.229 5.905 8.959 1.00 1.70 H new ATOM 0 HD2 TYR A 50 1.790 4.357 5.501 1.00 1.45 H new ATOM 0 HE1 TYR A 50 0.089 3.730 10.107 1.00 1.70 H new ATOM 0 HE2 TYR A 50 1.880 2.109 6.566 1.00 1.46 H new ATOM 0 HH TYR A 50 1.104 0.825 8.265 1.00 0.63 H new ATOM 751 N ASP A 51 0.402 8.581 8.481 1.00 0.28 N ATOM 752 CA ASP A 51 0.395 8.947 9.891 1.00 0.34 C ATOM 753 C ASP A 51 -0.008 7.743 10.750 1.00 0.32 C ATOM 754 O ASP A 51 -1.188 7.380 10.742 1.00 0.36 O ATOM 755 CB ASP A 51 -0.566 10.121 10.120 1.00 0.46 C ATOM 756 CG ASP A 51 -0.731 10.460 11.600 1.00 1.94 C ATOM 757 OD1 ASP A 51 -0.007 9.860 12.427 1.00 3.06 O ATOM 758 OD2 ASP A 51 -1.605 11.301 11.895 1.00 2.63 O ATOM 0 H ASP A 51 -0.489 8.758 8.017 1.00 0.28 H new ATOM 0 HA ASP A 51 1.399 9.255 10.184 1.00 0.34 H new ATOM 0 HB2 ASP A 51 -0.197 10.998 9.588 1.00 0.46 H new ATOM 0 HB3 ASP A 51 -1.540 9.878 9.695 1.00 0.46 H new ATOM 763 N PRO A 52 0.921 7.130 11.507 1.00 0.37 N ATOM 764 CA PRO A 52 0.629 5.972 12.338 1.00 0.42 C ATOM 765 C PRO A 52 -0.231 6.305 13.565 1.00 0.52 C ATOM 766 O PRO A 52 -0.518 5.403 14.352 1.00 0.64 O ATOM 767 CB PRO A 52 1.990 5.403 12.737 1.00 0.50 C ATOM 768 CG PRO A 52 2.849 6.660 12.818 1.00 0.53 C ATOM 769 CD PRO A 52 2.322 7.502 11.657 1.00 0.44 C ATOM 0 HA PRO A 52 0.029 5.249 11.785 1.00 0.42 H new ATOM 0 HB2 PRO A 52 1.948 4.876 13.690 1.00 0.50 H new ATOM 0 HB3 PRO A 52 2.369 4.697 11.998 1.00 0.50 H new ATOM 0 HG2 PRO A 52 2.731 7.170 13.774 1.00 0.53 H new ATOM 0 HG3 PRO A 52 3.909 6.434 12.706 1.00 0.53 H new ATOM 0 HD2 PRO A 52 2.424 8.567 11.867 1.00 0.44 H new ATOM 0 HD3 PRO A 52 2.881 7.302 10.743 1.00 0.44 H new ATOM 777 N ALA A 53 -0.643 7.563 13.759 1.00 0.57 N ATOM 778 CA ALA A 53 -1.659 7.907 14.733 1.00 0.67 C ATOM 779 C ALA A 53 -3.039 7.705 14.110 1.00 0.58 C ATOM 780 O ALA A 53 -3.993 7.423 14.833 1.00 0.71 O ATOM 781 CB ALA A 53 -1.487 9.368 15.157 1.00 0.80 C ATOM 0 H ALA A 53 -0.276 8.362 13.242 1.00 0.57 H new ATOM 0 HA ALA A 53 -1.561 7.268 15.611 1.00 0.67 H new ATOM 0 HB1 ALA A 53 -2.251 9.627 15.890 1.00 0.80 H new ATOM 0 HB2 ALA A 53 -0.500 9.505 15.599 1.00 0.80 H new ATOM 0 HB3 ALA A 53 -1.587 10.014 14.285 1.00 0.80 H new ATOM 787 N GLU A 54 -3.146 7.895 12.786 1.00 0.44 N ATOM 788 CA GLU A 54 -4.410 8.001 12.078 1.00 0.44 C ATOM 789 C GLU A 54 -4.731 6.735 11.288 1.00 0.44 C ATOM 790 O GLU A 54 -5.773 6.116 11.498 1.00 0.64 O ATOM 791 CB GLU A 54 -4.433 9.274 11.222 1.00 0.56 C ATOM 792 CG GLU A 54 -5.863 9.598 10.762 1.00 0.69 C ATOM 793 CD GLU A 54 -6.063 11.074 10.448 1.00 1.54 C ATOM 794 OE1 GLU A 54 -6.404 11.810 11.400 1.00 2.31 O ATOM 795 OE2 GLU A 54 -5.906 11.429 9.259 1.00 2.72 O ATOM 0 H GLU A 54 -2.334 7.980 12.175 1.00 0.44 H new ATOM 0 HA GLU A 54 -5.213 8.091 12.810 1.00 0.44 H new ATOM 0 HB2 GLU A 54 -4.033 10.110 11.795 1.00 0.56 H new ATOM 0 HB3 GLU A 54 -3.787 9.145 10.353 1.00 0.56 H new ATOM 0 HG2 GLU A 54 -6.097 9.008 9.876 1.00 0.69 H new ATOM 0 HG3 GLU A 54 -6.566 9.298 11.539 1.00 0.69 H new ATOM 802 N THR A 55 -3.815 6.329 10.406 1.00 0.35 N ATOM 803 CA THR A 55 -3.722 4.939 9.983 1.00 0.40 C ATOM 804 C THR A 55 -2.736 4.186 10.859 1.00 0.39 C ATOM 805 O THR A 55 -2.232 4.705 11.847 1.00 0.43 O ATOM 806 CB THR A 55 -3.543 4.764 8.463 1.00 0.42 C ATOM 807 OG1 THR A 55 -2.718 5.774 7.948 1.00 0.42 O ATOM 808 CG2 THR A 55 -4.901 4.877 7.782 1.00 0.51 C ATOM 0 H THR A 55 -3.129 6.947 9.973 1.00 0.35 H new ATOM 0 HA THR A 55 -4.689 4.463 10.148 1.00 0.40 H new ATOM 0 HB THR A 55 -3.093 3.789 8.278 1.00 0.42 H new ATOM 0 HG1 THR A 55 -1.786 5.591 8.191 1.00 0.42 H new ATOM 0 HG21 THR A 55 -4.780 4.754 6.706 1.00 0.51 H new ATOM 0 HG22 THR A 55 -5.565 4.101 8.163 1.00 0.51 H new ATOM 0 HG23 THR A 55 -5.331 5.857 7.989 1.00 0.51 H new ATOM 816 N GLY A 56 -2.537 2.916 10.528 1.00 0.56 N ATOM 817 CA GLY A 56 -1.890 1.948 11.380 1.00 0.57 C ATOM 818 C GLY A 56 -2.404 0.592 10.935 1.00 1.01 C ATOM 819 O GLY A 56 -3.365 0.102 11.512 1.00 2.42 O ATOM 0 H GLY A 56 -2.833 2.528 9.632 1.00 0.56 H new ATOM 0 HA2 GLY A 56 -0.806 2.006 11.283 1.00 0.57 H new ATOM 0 HA3 GLY A 56 -2.127 2.130 12.428 1.00 0.57 H new ATOM 823 N THR A 57 -1.709 -0.030 9.973 1.00 0.46 N ATOM 824 CA THR A 57 -2.026 -0.777 8.747 1.00 0.71 C ATOM 825 C THR A 57 -3.479 -1.136 8.424 1.00 0.53 C ATOM 826 O THR A 57 -3.768 -1.406 7.263 1.00 0.59 O ATOM 827 CB THR A 57 -1.255 -2.107 8.831 1.00 1.03 C ATOM 828 OG1 THR A 57 -1.688 -2.823 9.969 1.00 1.13 O ATOM 829 CG2 THR A 57 0.265 -1.939 8.935 1.00 1.17 C ATOM 0 H THR A 57 -0.693 -0.012 10.065 1.00 0.46 H new ATOM 0 HA THR A 57 -1.753 -0.084 7.951 1.00 0.71 H new ATOM 0 HB THR A 57 -1.464 -2.637 7.902 1.00 1.03 H new ATOM 0 HG1 THR A 57 -1.201 -3.672 10.026 1.00 1.13 H new ATOM 0 HG21 THR A 57 0.737 -2.920 8.990 1.00 1.17 H new ATOM 0 HG22 THR A 57 0.633 -1.408 8.057 1.00 1.17 H new ATOM 0 HG23 THR A 57 0.508 -1.369 9.832 1.00 1.17 H new ATOM 837 N ALA A 58 -4.388 -1.072 9.384 1.00 0.47 N ATOM 838 CA ALA A 58 -5.824 -1.169 9.251 1.00 0.53 C ATOM 839 C ALA A 58 -6.358 -0.761 7.881 1.00 0.52 C ATOM 840 O ALA A 58 -6.920 -1.587 7.160 1.00 0.51 O ATOM 841 CB ALA A 58 -6.410 -0.262 10.338 1.00 0.67 C ATOM 0 H ALA A 58 -4.111 -0.940 10.357 1.00 0.47 H new ATOM 0 HA ALA A 58 -6.118 -2.213 9.360 1.00 0.53 H new ATOM 0 HB1 ALA A 58 -7.498 -0.292 10.289 1.00 0.67 H new ATOM 0 HB2 ALA A 58 -6.081 -0.609 11.318 1.00 0.67 H new ATOM 0 HB3 ALA A 58 -6.068 0.761 10.181 1.00 0.67 H new ATOM 847 N ALA A 59 -6.170 0.507 7.510 1.00 0.55 N ATOM 848 CA ALA A 59 -6.923 1.015 6.355 1.00 0.55 C ATOM 849 C ALA A 59 -6.325 0.458 5.077 1.00 0.50 C ATOM 850 O ALA A 59 -7.016 0.043 4.149 1.00 0.44 O ATOM 851 CB ALA A 59 -6.935 2.537 6.324 1.00 0.64 C ATOM 0 H ALA A 59 -5.541 1.171 7.961 1.00 0.55 H new ATOM 0 HA ALA A 59 -7.958 0.685 6.443 1.00 0.55 H new ATOM 0 HB1 ALA A 59 -7.500 2.879 5.457 1.00 0.64 H new ATOM 0 HB2 ALA A 59 -7.401 2.916 7.234 1.00 0.64 H new ATOM 0 HB3 ALA A 59 -5.912 2.908 6.259 1.00 0.64 H new ATOM 857 N ILE A 60 -4.998 0.477 5.068 1.00 0.57 N ATOM 858 CA ILE A 60 -4.161 -0.130 4.070 1.00 0.49 C ATOM 859 C ILE A 60 -4.608 -1.550 3.795 1.00 0.42 C ATOM 860 O ILE A 60 -4.911 -1.848 2.650 1.00 0.40 O ATOM 861 CB ILE A 60 -2.708 0.020 4.551 1.00 0.46 C ATOM 862 CG1 ILE A 60 -2.219 1.384 4.062 1.00 0.48 C ATOM 863 CG2 ILE A 60 -1.749 -1.108 4.157 1.00 0.40 C ATOM 864 CD1 ILE A 60 -1.711 2.256 5.213 1.00 0.87 C ATOM 0 H ILE A 60 -4.460 0.943 5.799 1.00 0.57 H new ATOM 0 HA ILE A 60 -4.240 0.361 3.100 1.00 0.49 H new ATOM 0 HB ILE A 60 -2.709 -0.051 5.639 1.00 0.46 H new ATOM 0 HG12 ILE A 60 -1.420 1.243 3.334 1.00 0.48 H new ATOM 0 HG13 ILE A 60 -3.032 1.898 3.549 1.00 0.48 H new ATOM 0 HG21 ILE A 60 -0.755 -0.895 4.550 1.00 0.40 H new ATOM 0 HG22 ILE A 60 -2.108 -2.051 4.569 1.00 0.40 H new ATOM 0 HG23 ILE A 60 -1.701 -1.182 3.071 1.00 0.40 H new ATOM 0 HD11 ILE A 60 -1.373 3.215 4.821 1.00 0.87 H new ATOM 0 HD12 ILE A 60 -2.517 2.420 5.929 1.00 0.87 H new ATOM 0 HD13 ILE A 60 -0.881 1.755 5.710 1.00 0.87 H new ATOM 876 N GLN A 61 -4.679 -2.410 4.807 1.00 0.42 N ATOM 877 CA GLN A 61 -4.997 -3.814 4.606 1.00 0.40 C ATOM 878 C GLN A 61 -6.444 -3.971 4.119 1.00 0.32 C ATOM 879 O GLN A 61 -6.687 -4.671 3.135 1.00 0.34 O ATOM 880 CB GLN A 61 -4.660 -4.603 5.876 1.00 0.58 C ATOM 881 CG GLN A 61 -3.841 -5.875 5.603 1.00 0.54 C ATOM 882 CD GLN A 61 -3.005 -6.257 6.821 1.00 0.80 C ATOM 883 OE1 GLN A 61 -3.255 -7.261 7.476 1.00 1.46 O ATOM 884 NE2 GLN A 61 -1.999 -5.443 7.135 1.00 1.20 N ATOM 0 H GLN A 61 -4.519 -2.153 5.781 1.00 0.42 H new ATOM 0 HA GLN A 61 -4.382 -4.240 3.813 1.00 0.40 H new ATOM 0 HB2 GLN A 61 -4.103 -3.960 6.558 1.00 0.58 H new ATOM 0 HB3 GLN A 61 -5.586 -4.877 6.381 1.00 0.58 H new ATOM 0 HG2 GLN A 61 -4.511 -6.695 5.345 1.00 0.54 H new ATOM 0 HG3 GLN A 61 -3.188 -5.715 4.745 1.00 0.54 H new ATOM 0 HE21 GLN A 61 -1.817 -4.614 6.568 1.00 1.20 H new ATOM 0 HE22 GLN A 61 -1.410 -5.648 7.942 1.00 1.20 H new ATOM 893 N GLU A 62 -7.387 -3.266 4.764 1.00 0.31 N ATOM 894 CA GLU A 62 -8.774 -3.179 4.312 1.00 0.33 C ATOM 895 C GLU A 62 -8.844 -2.923 2.804 1.00 0.36 C ATOM 896 O GLU A 62 -9.466 -3.659 2.033 1.00 0.41 O ATOM 897 CB GLU A 62 -9.478 -2.035 5.063 1.00 0.35 C ATOM 898 CG GLU A 62 -10.185 -2.497 6.339 1.00 0.62 C ATOM 899 CD GLU A 62 -10.892 -1.332 7.025 1.00 2.18 C ATOM 900 OE1 GLU A 62 -11.389 -0.454 6.286 1.00 2.85 O ATOM 901 OE2 GLU A 62 -10.918 -1.338 8.274 1.00 3.37 O ATOM 0 H GLU A 62 -7.202 -2.740 5.618 1.00 0.31 H new ATOM 0 HA GLU A 62 -9.271 -4.127 4.521 1.00 0.33 H new ATOM 0 HB2 GLU A 62 -8.744 -1.271 5.318 1.00 0.35 H new ATOM 0 HB3 GLU A 62 -10.207 -1.568 4.400 1.00 0.35 H new ATOM 0 HG2 GLU A 62 -10.909 -3.275 6.096 1.00 0.62 H new ATOM 0 HG3 GLU A 62 -9.459 -2.939 7.021 1.00 0.62 H new ATOM 908 N LYS A 63 -8.228 -1.825 2.380 1.00 0.36 N ATOM 909 CA LYS A 63 -8.289 -1.384 1.020 1.00 0.40 C ATOM 910 C LYS A 63 -7.488 -2.275 0.092 1.00 0.34 C ATOM 911 O LYS A 63 -7.935 -2.506 -1.022 1.00 0.38 O ATOM 912 CB LYS A 63 -7.827 0.058 0.984 1.00 0.45 C ATOM 913 CG LYS A 63 -8.942 0.968 1.508 1.00 0.58 C ATOM 914 CD LYS A 63 -9.913 1.490 0.436 1.00 0.62 C ATOM 915 CE LYS A 63 -10.789 0.423 -0.229 1.00 1.79 C ATOM 916 NZ LYS A 63 -11.874 1.035 -1.022 1.00 2.42 N ATOM 0 H LYS A 63 -7.672 -1.222 2.987 1.00 0.36 H new ATOM 0 HA LYS A 63 -9.313 -1.449 0.653 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -6.930 0.178 1.591 1.00 0.45 H new ATOM 0 HB3 LYS A 63 -7.562 0.340 -0.035 1.00 0.45 H new ATOM 0 HG2 LYS A 63 -9.513 0.422 2.259 1.00 0.58 H new ATOM 0 HG3 LYS A 63 -8.487 1.821 2.011 1.00 0.58 H new ATOM 0 HD2 LYS A 63 -10.562 2.238 0.891 1.00 0.62 H new ATOM 0 HD3 LYS A 63 -9.336 1.997 -0.338 1.00 0.62 H new ATOM 0 HE2 LYS A 63 -10.174 -0.205 -0.874 1.00 1.79 H new ATOM 0 HE3 LYS A 63 -11.216 -0.227 0.535 1.00 1.79 H new ATOM 0 HZ1 LYS A 63 -12.449 0.287 -1.459 1.00 2.42 H new ATOM 0 HZ2 LYS A 63 -12.474 1.614 -0.401 1.00 2.42 H new ATOM 0 HZ3 LYS A 63 -11.464 1.636 -1.766 1.00 2.42 H new ATOM 930 N ILE A 64 -6.334 -2.766 0.533 1.00 0.28 N ATOM 931 CA ILE A 64 -5.496 -3.703 -0.195 1.00 0.26 C ATOM 932 C ILE A 64 -6.408 -4.832 -0.716 1.00 0.30 C ATOM 933 O ILE A 64 -6.455 -5.114 -1.915 1.00 0.33 O ATOM 934 CB ILE A 64 -4.373 -4.207 0.731 1.00 0.28 C ATOM 935 CG1 ILE A 64 -3.061 -3.454 0.489 1.00 0.39 C ATOM 936 CG2 ILE A 64 -4.158 -5.721 0.740 1.00 0.28 C ATOM 937 CD1 ILE A 64 -2.362 -3.881 -0.800 1.00 0.46 C ATOM 0 H ILE A 64 -5.946 -2.511 1.441 1.00 0.28 H new ATOM 0 HA ILE A 64 -5.005 -3.239 -1.050 1.00 0.26 H new ATOM 0 HB ILE A 64 -4.730 -3.979 1.735 1.00 0.28 H new ATOM 0 HG12 ILE A 64 -3.264 -2.384 0.449 1.00 0.39 H new ATOM 0 HG13 ILE A 64 -2.391 -3.621 1.332 1.00 0.39 H new ATOM 0 HG21 ILE A 64 -3.346 -5.969 1.423 1.00 0.28 H new ATOM 0 HG22 ILE A 64 -5.072 -6.216 1.068 1.00 0.28 H new ATOM 0 HG23 ILE A 64 -3.903 -6.058 -0.265 1.00 0.28 H new ATOM 0 HD11 ILE A 64 -1.439 -3.314 -0.918 1.00 0.46 H new ATOM 0 HD12 ILE A 64 -2.131 -4.945 -0.753 1.00 0.46 H new ATOM 0 HD13 ILE A 64 -3.017 -3.689 -1.650 1.00 0.46 H new ATOM 949 N GLU A 65 -7.185 -5.423 0.206 1.00 0.32 N ATOM 950 CA GLU A 65 -8.173 -6.446 -0.106 1.00 0.38 C ATOM 951 C GLU A 65 -9.216 -5.894 -1.079 1.00 0.40 C ATOM 952 O GLU A 65 -9.416 -6.456 -2.153 1.00 0.43 O ATOM 953 CB GLU A 65 -8.831 -6.952 1.188 1.00 0.45 C ATOM 954 CG GLU A 65 -7.904 -7.870 1.998 1.00 0.52 C ATOM 955 CD GLU A 65 -8.107 -9.342 1.656 1.00 0.74 C ATOM 956 OE1 GLU A 65 -7.779 -9.717 0.511 1.00 1.99 O ATOM 957 OE2 GLU A 65 -8.594 -10.069 2.547 1.00 2.03 O ATOM 0 H GLU A 65 -7.137 -5.195 1.199 1.00 0.32 H new ATOM 0 HA GLU A 65 -7.678 -7.289 -0.588 1.00 0.38 H new ATOM 0 HB2 GLU A 65 -9.120 -6.099 1.802 1.00 0.45 H new ATOM 0 HB3 GLU A 65 -9.745 -7.491 0.940 1.00 0.45 H new ATOM 0 HG2 GLU A 65 -6.867 -7.595 1.808 1.00 0.52 H new ATOM 0 HG3 GLU A 65 -8.085 -7.718 3.062 1.00 0.52 H new ATOM 964 N LYS A 66 -9.893 -4.793 -0.730 1.00 0.41 N ATOM 965 CA LYS A 66 -10.971 -4.263 -1.570 1.00 0.48 C ATOM 966 C LYS A 66 -10.523 -3.866 -2.987 1.00 0.45 C ATOM 967 O LYS A 66 -11.334 -3.889 -3.911 1.00 0.48 O ATOM 968 CB LYS A 66 -11.709 -3.108 -0.867 1.00 0.56 C ATOM 969 CG LYS A 66 -13.033 -3.593 -0.261 1.00 0.77 C ATOM 970 CD LYS A 66 -14.078 -3.910 -1.349 1.00 2.20 C ATOM 971 CE LYS A 66 -15.048 -2.742 -1.582 1.00 2.96 C ATOM 972 NZ LYS A 66 -15.921 -2.978 -2.752 1.00 4.54 N ATOM 0 H LYS A 66 -9.715 -4.257 0.120 1.00 0.41 H new ATOM 0 HA LYS A 66 -11.670 -5.088 -1.708 1.00 0.48 H new ATOM 0 HB2 LYS A 66 -11.077 -2.691 -0.083 1.00 0.56 H new ATOM 0 HB3 LYS A 66 -11.903 -2.307 -1.580 1.00 0.56 H new ATOM 0 HG2 LYS A 66 -12.853 -4.484 0.341 1.00 0.77 H new ATOM 0 HG3 LYS A 66 -13.427 -2.830 0.410 1.00 0.77 H new ATOM 0 HD2 LYS A 66 -13.567 -4.147 -2.282 1.00 2.20 H new ATOM 0 HD3 LYS A 66 -14.643 -4.797 -1.060 1.00 2.20 H new ATOM 0 HE2 LYS A 66 -15.662 -2.597 -0.693 1.00 2.96 H new ATOM 0 HE3 LYS A 66 -14.481 -1.823 -1.731 1.00 2.96 H new ATOM 0 HZ1 LYS A 66 -16.561 -2.168 -2.876 1.00 4.54 H new ATOM 0 HZ2 LYS A 66 -15.336 -3.091 -3.604 1.00 4.54 H new ATOM 0 HZ3 LYS A 66 -16.481 -3.841 -2.599 1.00 4.54 H new ATOM 986 N LEU A 67 -9.260 -3.476 -3.152 1.00 0.43 N ATOM 987 CA LEU A 67 -8.614 -3.186 -4.426 1.00 0.45 C ATOM 988 C LEU A 67 -8.376 -4.466 -5.236 1.00 0.45 C ATOM 989 O LEU A 67 -8.160 -4.390 -6.443 1.00 0.48 O ATOM 990 CB LEU A 67 -7.306 -2.419 -4.163 1.00 0.45 C ATOM 991 CG LEU A 67 -7.588 -0.929 -3.886 1.00 0.53 C ATOM 992 CD1 LEU A 67 -6.489 -0.303 -3.018 1.00 0.49 C ATOM 993 CD2 LEU A 67 -7.745 -0.146 -5.203 1.00 0.70 C ATOM 0 H LEU A 67 -8.630 -3.348 -2.360 1.00 0.43 H new ATOM 0 HA LEU A 67 -9.271 -2.560 -5.030 1.00 0.45 H new ATOM 0 HB2 LEU A 67 -6.786 -2.859 -3.312 1.00 0.45 H new ATOM 0 HB3 LEU A 67 -6.645 -2.514 -5.024 1.00 0.45 H new ATOM 0 HG LEU A 67 -8.526 -0.870 -3.334 1.00 0.53 H new ATOM 0 HD11 LEU A 67 -6.719 0.748 -2.842 1.00 0.49 H new ATOM 0 HD12 LEU A 67 -6.436 -0.828 -2.064 1.00 0.49 H new ATOM 0 HD13 LEU A 67 -5.530 -0.384 -3.531 1.00 0.49 H new ATOM 0 HD21 LEU A 67 -7.943 0.903 -4.981 1.00 0.70 H new ATOM 0 HD22 LEU A 67 -6.827 -0.226 -5.786 1.00 0.70 H new ATOM 0 HD23 LEU A 67 -8.576 -0.559 -5.775 1.00 0.70 H new ATOM 1005 N GLY A 68 -8.414 -5.630 -4.584 1.00 0.43 N ATOM 1006 CA GLY A 68 -8.238 -6.931 -5.205 1.00 0.45 C ATOM 1007 C GLY A 68 -6.767 -7.329 -5.186 1.00 0.40 C ATOM 1008 O GLY A 68 -6.245 -7.794 -6.196 1.00 0.39 O ATOM 0 H GLY A 68 -8.573 -5.688 -3.578 1.00 0.43 H new ATOM 0 HA2 GLY A 68 -8.831 -7.677 -4.677 1.00 0.45 H new ATOM 0 HA3 GLY A 68 -8.602 -6.904 -6.232 1.00 0.45 H new ATOM 1012 N TYR A 69 -6.102 -7.140 -4.042 1.00 0.40 N ATOM 1013 CA TYR A 69 -4.684 -7.410 -3.871 1.00 0.35 C ATOM 1014 C TYR A 69 -4.423 -8.020 -2.504 1.00 0.33 C ATOM 1015 O TYR A 69 -5.319 -8.054 -1.666 1.00 0.34 O ATOM 1016 CB TYR A 69 -3.917 -6.095 -3.998 1.00 0.34 C ATOM 1017 CG TYR A 69 -2.903 -6.158 -5.102 1.00 0.38 C ATOM 1018 CD1 TYR A 69 -3.322 -6.018 -6.435 1.00 1.59 C ATOM 1019 CD2 TYR A 69 -1.554 -6.414 -4.807 1.00 1.89 C ATOM 1020 CE1 TYR A 69 -2.367 -5.936 -7.455 1.00 1.50 C ATOM 1021 CE2 TYR A 69 -0.597 -6.314 -5.826 1.00 2.02 C ATOM 1022 CZ TYR A 69 -1.002 -6.040 -7.144 1.00 0.63 C ATOM 1023 OH TYR A 69 -0.065 -5.760 -8.087 1.00 0.81 O ATOM 0 H TYR A 69 -6.550 -6.788 -3.196 1.00 0.40 H new ATOM 0 HA TYR A 69 -4.354 -8.115 -4.634 1.00 0.35 H new ATOM 0 HB2 TYR A 69 -4.616 -5.281 -4.190 1.00 0.34 H new ATOM 0 HB3 TYR A 69 -3.418 -5.871 -3.055 1.00 0.34 H new ATOM 0 HD1 TYR A 69 -4.375 -5.974 -6.672 1.00 1.59 H new ATOM 0 HD2 TYR A 69 -1.257 -6.685 -3.805 1.00 1.89 H new ATOM 0 HE1 TYR A 69 -2.680 -5.793 -8.479 1.00 1.50 H new ATOM 0 HE2 TYR A 69 0.450 -6.447 -5.599 1.00 2.02 H new ATOM 0 HH TYR A 69 -0.502 -5.636 -8.956 1.00 0.81 H new ATOM 1033 N HIS A 70 -3.180 -8.446 -2.259 1.00 0.33 N ATOM 1034 CA HIS A 70 -2.745 -8.862 -0.939 1.00 0.32 C ATOM 1035 C HIS A 70 -1.392 -8.221 -0.630 1.00 0.32 C ATOM 1036 O HIS A 70 -0.533 -8.135 -1.507 1.00 0.62 O ATOM 1037 CB HIS A 70 -2.688 -10.390 -0.891 1.00 0.57 C ATOM 1038 CG HIS A 70 -2.658 -10.919 0.515 1.00 0.75 C ATOM 1039 ND1 HIS A 70 -3.757 -11.246 1.277 1.00 1.51 N ATOM 1040 CD2 HIS A 70 -1.545 -11.095 1.290 1.00 2.19 C ATOM 1041 CE1 HIS A 70 -3.304 -11.638 2.480 1.00 1.25 C ATOM 1042 NE2 HIS A 70 -1.964 -11.567 2.536 1.00 1.82 N ATOM 0 H HIS A 70 -2.455 -8.509 -2.974 1.00 0.33 H new ATOM 0 HA HIS A 70 -3.448 -8.531 -0.175 1.00 0.32 H new ATOM 0 HB2 HIS A 70 -3.554 -10.800 -1.412 1.00 0.57 H new ATOM 0 HB3 HIS A 70 -1.802 -10.735 -1.425 1.00 0.57 H new ATOM 0 HD2 HIS A 70 -0.525 -10.903 0.992 1.00 2.19 H new ATOM 0 HE1 HIS A 70 -3.934 -11.966 3.294 1.00 1.25 H new ATOM 0 HE2 HIS A 70 -1.371 -11.809 3.330 1.00 1.82 H new ATOM 1050 N VAL A 71 -1.203 -7.773 0.612 1.00 0.32 N ATOM 1051 CA VAL A 71 0.057 -7.237 1.100 1.00 0.44 C ATOM 1052 C VAL A 71 0.599 -8.212 2.145 1.00 0.51 C ATOM 1053 O VAL A 71 -0.130 -8.584 3.062 1.00 0.81 O ATOM 1054 CB VAL A 71 -0.134 -5.795 1.600 1.00 0.59 C ATOM 1055 CG1 VAL A 71 -0.847 -5.686 2.953 1.00 1.51 C ATOM 1056 CG2 VAL A 71 1.216 -5.090 1.669 1.00 1.21 C ATOM 0 H VAL A 71 -1.940 -7.775 1.317 1.00 0.32 H new ATOM 0 HA VAL A 71 0.804 -7.156 0.310 1.00 0.44 H new ATOM 0 HB VAL A 71 -0.788 -5.310 0.876 1.00 0.59 H new ATOM 0 HG11 VAL A 71 -0.941 -4.636 3.231 1.00 1.51 H new ATOM 0 HG12 VAL A 71 -1.839 -6.131 2.878 1.00 1.51 H new ATOM 0 HG13 VAL A 71 -0.269 -6.213 3.712 1.00 1.51 H new ATOM 0 HG21 VAL A 71 1.076 -4.069 2.024 1.00 1.21 H new ATOM 0 HG22 VAL A 71 1.872 -5.626 2.356 1.00 1.21 H new ATOM 0 HG23 VAL A 71 1.667 -5.071 0.677 1.00 1.21 H new ATOM 1066 N VAL A 72 1.842 -8.672 1.981 1.00 0.39 N ATOM 1067 CA VAL A 72 2.465 -9.644 2.868 1.00 0.42 C ATOM 1068 C VAL A 72 3.461 -8.912 3.757 1.00 0.43 C ATOM 1069 O VAL A 72 4.213 -8.056 3.297 1.00 0.41 O ATOM 1070 CB VAL A 72 3.165 -10.759 2.089 1.00 0.44 C ATOM 1071 CG1 VAL A 72 3.682 -11.864 3.019 1.00 0.49 C ATOM 1072 CG2 VAL A 72 2.268 -11.405 1.029 1.00 0.51 C ATOM 0 H VAL A 72 2.448 -8.373 1.217 1.00 0.39 H new ATOM 0 HA VAL A 72 1.692 -10.118 3.472 1.00 0.42 H new ATOM 0 HB VAL A 72 4.001 -10.270 1.588 1.00 0.44 H new ATOM 0 HG11 VAL A 72 4.173 -12.637 2.428 1.00 0.49 H new ATOM 0 HG12 VAL A 72 4.395 -11.440 3.726 1.00 0.49 H new ATOM 0 HG13 VAL A 72 2.846 -12.301 3.565 1.00 0.49 H new ATOM 0 HG21 VAL A 72 2.822 -12.188 0.511 1.00 0.51 H new ATOM 0 HG22 VAL A 72 1.391 -11.839 1.510 1.00 0.51 H new ATOM 0 HG23 VAL A 72 1.951 -10.649 0.310 1.00 0.51 H new ATOM 1082 N ILE A 73 3.483 -9.276 5.036 1.00 0.51 N ATOM 1083 CA ILE A 73 4.349 -8.684 6.037 1.00 0.58 C ATOM 1084 C ILE A 73 5.418 -9.709 6.417 1.00 0.65 C ATOM 1085 O ILE A 73 5.368 -10.324 7.477 1.00 0.68 O ATOM 1086 CB ILE A 73 3.536 -8.112 7.215 1.00 0.72 C ATOM 1087 CG1 ILE A 73 2.635 -6.969 6.723 1.00 1.11 C ATOM 1088 CG2 ILE A 73 4.448 -7.486 8.270 1.00 0.81 C ATOM 1089 CD1 ILE A 73 1.256 -7.460 6.319 1.00 1.27 C ATOM 0 H ILE A 73 2.881 -10.010 5.409 1.00 0.51 H new ATOM 0 HA ILE A 73 4.872 -7.814 5.641 1.00 0.58 H new ATOM 0 HB ILE A 73 2.966 -8.942 7.633 1.00 0.72 H new ATOM 0 HG12 ILE A 73 2.537 -6.221 7.510 1.00 1.11 H new ATOM 0 HG13 ILE A 73 3.107 -6.476 5.873 1.00 1.11 H new ATOM 0 HG21 ILE A 73 3.843 -7.092 9.087 1.00 0.81 H new ATOM 0 HG22 ILE A 73 5.131 -8.243 8.656 1.00 0.81 H new ATOM 0 HG23 ILE A 73 5.022 -6.676 7.820 1.00 0.81 H new ATOM 0 HD11 ILE A 73 0.655 -6.617 5.978 1.00 1.27 H new ATOM 0 HD12 ILE A 73 1.351 -8.188 5.513 1.00 1.27 H new ATOM 0 HD13 ILE A 73 0.771 -7.928 7.176 1.00 1.27 H new