USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 508 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 28 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 55 LYS NZ :NH3+ -167:sc= 0.193 (180deg=0.141) USER MOD Set 2.1: A 8 THR OG1 : rot -160:sc= 0.00326 USER MOD Set 2.2: A 26 ASN : amide:sc= -1.38 X(o=-1.4,f=-0.99) USER MOD Single : A 3 MET CE :methyl -155:sc= 0 (180deg=-0.343) USER MOD Single : A 4 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.082) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 159:sc= 1.24 (180deg=0.853) USER MOD Single : A 14 LYS NZ :NH3+ -127:sc= 0.58 (180deg=-0.339) USER MOD Single : A 20 LYS NZ :NH3+ -175:sc= 0.348 (180deg=0.23) USER MOD Single : A 23 ASN : amide:sc= -0.0758 X(o=-0.076,f=0) USER MOD Single : A 30 HIS : no HD1:sc= -4.62! C(o=-4.6!,f=-5.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.354 K(o=-0.35,f=-14!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.147) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.686 USER MOD Single : A 51 THR OG1 : rot 150:sc=-0.00296 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -3.66! C(o=-3.7!,f=-11!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 58 SER OG : rot 172:sc= -2.3! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= 2.14 (180deg=1.45) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -12.042 -3.354 -2.565 1.00 0.00 N ATOM 21 CA ALA A 2 -11.335 -2.544 -1.572 1.00 0.00 C ATOM 22 C ALA A 2 -11.113 -3.317 -0.278 1.00 0.00 C ATOM 23 O ALA A 2 -12.057 -3.654 0.436 1.00 0.00 O ATOM 24 CB ALA A 2 -12.059 -1.233 -1.297 1.00 0.00 C ATOM 0 HA ALA A 2 -10.359 -2.304 -1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.504 -0.659 -0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.133 -0.657 -2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.060 -1.442 -0.919 1.00 0.00 H new ATOM 30 N MET A 3 -9.854 -3.595 0.014 1.00 0.00 N ATOM 31 CA MET A 3 -9.490 -4.292 1.236 1.00 0.00 C ATOM 32 C MET A 3 -8.651 -3.394 2.127 1.00 0.00 C ATOM 33 O MET A 3 -8.040 -2.431 1.652 1.00 0.00 O ATOM 34 CB MET A 3 -8.715 -5.569 0.930 1.00 0.00 C ATOM 35 CG MET A 3 -9.534 -6.615 0.203 1.00 0.00 C ATOM 36 SD MET A 3 -9.549 -6.378 -1.586 1.00 0.00 S ATOM 37 CE MET A 3 -10.529 -7.784 -2.098 1.00 0.00 C ATOM 0 H MET A 3 -9.064 -3.348 -0.581 1.00 0.00 H new ATOM 0 HA MET A 3 -10.412 -4.558 1.753 1.00 0.00 H new ATOM 0 HB2 MET A 3 -7.842 -5.319 0.327 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.346 -5.993 1.864 1.00 0.00 H new ATOM 0 HG2 MET A 3 -9.135 -7.604 0.430 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.558 -6.591 0.576 1.00 0.00 H new ATOM 0 HE1 MET A 3 -10.279 -8.047 -3.126 1.00 0.00 H new ATOM 0 HE2 MET A 3 -10.318 -8.631 -1.445 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.588 -7.532 -2.035 1.00 0.00 H new ATOM 47 N ASN A 4 -8.629 -3.700 3.412 1.00 0.00 N ATOM 48 CA ASN A 4 -7.780 -2.983 4.344 1.00 0.00 C ATOM 49 C ASN A 4 -6.506 -3.769 4.583 1.00 0.00 C ATOM 50 O ASN A 4 -6.541 -4.968 4.857 1.00 0.00 O ATOM 51 CB ASN A 4 -8.499 -2.712 5.668 1.00 0.00 C ATOM 52 CG ASN A 4 -9.038 -3.969 6.332 1.00 0.00 C ATOM 53 OD1 ASN A 4 -8.371 -4.581 7.166 1.00 0.00 O ATOM 54 ND2 ASN A 4 -10.254 -4.353 5.977 1.00 0.00 N ATOM 0 H ASN A 4 -9.190 -4.441 3.833 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.532 -2.017 3.905 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.810 -2.216 6.352 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.324 -2.022 5.490 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.670 -5.183 6.399 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.775 -3.819 5.282 1.00 0.00 H new ATOM 61 N GLY A 5 -5.387 -3.091 4.458 1.00 0.00 N ATOM 62 CA GLY A 5 -4.108 -3.748 4.591 1.00 0.00 C ATOM 63 C GLY A 5 -3.156 -2.977 5.472 1.00 0.00 C ATOM 64 O GLY A 5 -3.363 -1.792 5.732 1.00 0.00 O ATOM 0 H GLY A 5 -5.337 -2.091 4.266 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.256 -4.745 5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.663 -3.876 3.604 1.00 0.00 H new ATOM 68 N THR A 6 -2.116 -3.647 5.932 1.00 0.00 N ATOM 69 CA THR A 6 -1.110 -3.019 6.762 1.00 0.00 C ATOM 70 C THR A 6 0.199 -2.887 5.991 1.00 0.00 C ATOM 71 O THR A 6 0.606 -3.801 5.264 1.00 0.00 O ATOM 72 CB THR A 6 -0.861 -3.831 8.042 1.00 0.00 C ATOM 73 OG1 THR A 6 -2.115 -4.243 8.602 1.00 0.00 O ATOM 74 CG2 THR A 6 -0.092 -3.014 9.068 1.00 0.00 C ATOM 0 H THR A 6 -1.947 -4.635 5.742 1.00 0.00 H new ATOM 0 HA THR A 6 -1.477 -2.031 7.039 1.00 0.00 H new ATOM 0 HB THR A 6 -0.265 -4.705 7.781 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.954 -4.762 9.417 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.070 -3.614 9.964 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.870 -2.718 8.650 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.664 -2.123 9.327 1.00 0.00 H new ATOM 82 N ILE A 7 0.843 -1.750 6.152 1.00 0.00 N ATOM 83 CA ILE A 7 2.089 -1.468 5.458 1.00 0.00 C ATOM 84 C ILE A 7 3.250 -2.159 6.160 1.00 0.00 C ATOM 85 O ILE A 7 3.576 -1.833 7.303 1.00 0.00 O ATOM 86 CB ILE A 7 2.347 0.049 5.398 1.00 0.00 C ATOM 87 CG1 ILE A 7 1.120 0.764 4.824 1.00 0.00 C ATOM 88 CG2 ILE A 7 3.584 0.345 4.560 1.00 0.00 C ATOM 89 CD1 ILE A 7 1.200 2.272 4.893 1.00 0.00 C ATOM 0 H ILE A 7 0.523 -0.998 6.762 1.00 0.00 H new ATOM 0 HA ILE A 7 2.006 -1.850 4.440 1.00 0.00 H new ATOM 0 HB ILE A 7 2.525 0.418 6.408 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.991 0.464 3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.233 0.432 5.364 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.752 1.421 4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.450 -0.145 5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.436 -0.030 3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.294 2.704 4.467 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.297 2.584 5.933 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.066 2.617 4.329 1.00 0.00 H new ATOM 101 N THR A 8 3.870 -3.112 5.480 1.00 0.00 N ATOM 102 CA THR A 8 4.919 -3.911 6.083 1.00 0.00 C ATOM 103 C THR A 8 6.266 -3.627 5.431 1.00 0.00 C ATOM 104 O THR A 8 7.233 -3.276 6.107 1.00 0.00 O ATOM 105 CB THR A 8 4.580 -5.407 5.981 1.00 0.00 C ATOM 106 OG1 THR A 8 3.895 -5.665 4.744 1.00 0.00 O ATOM 107 CG2 THR A 8 3.711 -5.847 7.152 1.00 0.00 C ATOM 0 H THR A 8 3.663 -3.349 4.510 1.00 0.00 H new ATOM 0 HA THR A 8 4.988 -3.638 7.136 1.00 0.00 H new ATOM 0 HB THR A 8 5.510 -5.975 6.010 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.408 -6.513 4.810 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.484 -6.909 7.058 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.244 -5.671 8.087 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.782 -5.276 7.151 1.00 0.00 H new ATOM 115 N THR A 9 6.323 -3.782 4.120 1.00 0.00 N ATOM 116 CA THR A 9 7.515 -3.450 3.363 1.00 0.00 C ATOM 117 C THR A 9 7.293 -2.138 2.622 1.00 0.00 C ATOM 118 O THR A 9 6.326 -2.008 1.874 1.00 0.00 O ATOM 119 CB THR A 9 7.859 -4.558 2.344 1.00 0.00 C ATOM 120 OG1 THR A 9 7.970 -5.822 3.012 1.00 0.00 O ATOM 121 CG2 THR A 9 9.162 -4.252 1.617 1.00 0.00 C ATOM 0 H THR A 9 5.552 -4.138 3.555 1.00 0.00 H new ATOM 0 HA THR A 9 8.347 -3.355 4.061 1.00 0.00 H new ATOM 0 HB THR A 9 7.055 -4.600 1.610 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.187 -6.519 2.359 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.378 -5.050 0.906 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.068 -3.306 1.083 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.974 -4.181 2.340 1.00 0.00 H new ATOM 129 N TRP A 10 8.168 -1.167 2.835 1.00 0.00 N ATOM 130 CA TRP A 10 8.012 0.129 2.196 1.00 0.00 C ATOM 131 C TRP A 10 9.323 0.900 2.174 1.00 0.00 C ATOM 132 O TRP A 10 9.970 1.081 3.205 1.00 0.00 O ATOM 133 CB TRP A 10 6.937 0.955 2.909 1.00 0.00 C ATOM 134 CG TRP A 10 6.736 2.310 2.304 1.00 0.00 C ATOM 135 CD1 TRP A 10 7.100 3.509 2.847 1.00 0.00 C ATOM 136 CD2 TRP A 10 6.136 2.606 1.036 1.00 0.00 C ATOM 137 NE1 TRP A 10 6.759 4.532 1.997 1.00 0.00 N ATOM 138 CE2 TRP A 10 6.167 4.004 0.879 1.00 0.00 C ATOM 139 CE3 TRP A 10 5.574 1.828 0.022 1.00 0.00 C ATOM 140 CZ2 TRP A 10 5.660 4.638 -0.250 1.00 0.00 C ATOM 141 CZ3 TRP A 10 5.070 2.459 -1.100 1.00 0.00 C ATOM 142 CH2 TRP A 10 5.116 3.853 -1.227 1.00 0.00 C ATOM 0 H TRP A 10 8.985 -1.251 3.439 1.00 0.00 H new ATOM 0 HA TRP A 10 7.703 -0.050 1.166 1.00 0.00 H new ATOM 0 HB2 TRP A 10 5.993 0.410 2.885 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.212 1.070 3.958 1.00 0.00 H new ATOM 0 HD1 TRP A 10 7.585 3.634 3.804 1.00 0.00 H new ATOM 0 HE1 TRP A 10 6.920 5.524 2.170 1.00 0.00 H new ATOM 0 HE3 TRP A 10 5.534 0.753 0.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 5.695 5.713 -0.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 4.634 1.867 -1.891 1.00 0.00 H new ATOM 0 HH2 TRP A 10 4.713 4.317 -2.115 1.00 0.00 H new ATOM 153 N PHE A 11 9.706 1.341 0.987 1.00 0.00 N ATOM 154 CA PHE A 11 10.857 2.211 0.820 1.00 0.00 C ATOM 155 C PHE A 11 10.376 3.585 0.374 1.00 0.00 C ATOM 156 O PHE A 11 10.031 3.780 -0.791 1.00 0.00 O ATOM 157 CB PHE A 11 11.833 1.629 -0.206 1.00 0.00 C ATOM 158 CG PHE A 11 12.360 0.270 0.164 1.00 0.00 C ATOM 159 CD1 PHE A 11 13.467 0.140 0.990 1.00 0.00 C ATOM 160 CD2 PHE A 11 11.746 -0.880 -0.310 1.00 0.00 C ATOM 161 CE1 PHE A 11 13.952 -1.108 1.332 1.00 0.00 C ATOM 162 CE2 PHE A 11 12.227 -2.131 0.029 1.00 0.00 C ATOM 163 CZ PHE A 11 13.331 -2.245 0.852 1.00 0.00 C ATOM 0 H PHE A 11 9.230 1.107 0.116 1.00 0.00 H new ATOM 0 HA PHE A 11 11.384 2.297 1.770 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.334 1.565 -1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.672 2.314 -0.325 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.956 1.025 1.370 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.881 -0.797 -0.952 1.00 0.00 H new ATOM 0 HE1 PHE A 11 14.816 -1.194 1.974 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.740 -3.018 -0.349 1.00 0.00 H new ATOM 0 HZ PHE A 11 13.708 -3.221 1.120 1.00 0.00 H new ATOM 173 N LYS A 12 10.340 4.523 1.310 1.00 0.00 N ATOM 174 CA LYS A 12 9.777 5.847 1.063 1.00 0.00 C ATOM 175 C LYS A 12 10.721 6.677 0.194 1.00 0.00 C ATOM 176 O LYS A 12 10.279 7.530 -0.579 1.00 0.00 O ATOM 177 CB LYS A 12 9.505 6.547 2.405 1.00 0.00 C ATOM 178 CG LYS A 12 8.420 7.620 2.364 1.00 0.00 C ATOM 179 CD LYS A 12 8.914 8.923 1.757 1.00 0.00 C ATOM 180 CE LYS A 12 7.857 10.016 1.837 1.00 0.00 C ATOM 181 NZ LYS A 12 7.506 10.349 3.244 1.00 0.00 N ATOM 0 H LYS A 12 10.697 4.391 2.256 1.00 0.00 H new ATOM 0 HA LYS A 12 8.835 5.743 0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.222 5.793 3.140 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.432 7.002 2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.572 7.253 1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.060 7.807 3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.815 9.249 2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.189 8.758 0.715 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.222 10.911 1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.961 9.694 1.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.079 11.297 3.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.828 9.649 3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.366 10.334 3.829 1.00 0.00 H new ATOM 195 N ASP A 13 12.018 6.417 0.323 1.00 0.00 N ATOM 196 CA ASP A 13 13.025 7.121 -0.471 1.00 0.00 C ATOM 197 C ASP A 13 12.798 6.884 -1.962 1.00 0.00 C ATOM 198 O ASP A 13 12.894 7.805 -2.774 1.00 0.00 O ATOM 199 CB ASP A 13 14.431 6.660 -0.079 1.00 0.00 C ATOM 200 CG ASP A 13 15.525 7.386 -0.842 1.00 0.00 C ATOM 201 OD1 ASP A 13 15.923 6.909 -1.925 1.00 0.00 O ATOM 202 OD2 ASP A 13 16.006 8.429 -0.353 1.00 0.00 O ATOM 0 H ASP A 13 12.399 5.725 0.969 1.00 0.00 H new ATOM 0 HA ASP A 13 12.932 8.188 -0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 13 14.575 6.817 0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 13 14.520 5.588 -0.258 1.00 0.00 H new ATOM 207 N LYS A 14 12.484 5.644 -2.311 1.00 0.00 N ATOM 208 CA LYS A 14 12.240 5.277 -3.700 1.00 0.00 C ATOM 209 C LYS A 14 10.764 5.435 -4.055 1.00 0.00 C ATOM 210 O LYS A 14 10.420 6.087 -5.045 1.00 0.00 O ATOM 211 CB LYS A 14 12.704 3.844 -3.952 1.00 0.00 C ATOM 212 CG LYS A 14 14.216 3.690 -3.942 1.00 0.00 C ATOM 213 CD LYS A 14 14.846 4.410 -5.122 1.00 0.00 C ATOM 214 CE LYS A 14 16.365 4.382 -5.060 1.00 0.00 C ATOM 215 NZ LYS A 14 16.892 5.196 -3.934 1.00 0.00 N ATOM 0 H LYS A 14 12.392 4.873 -1.650 1.00 0.00 H new ATOM 0 HA LYS A 14 12.811 5.949 -4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.274 3.192 -3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.318 3.509 -4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.619 4.089 -3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.477 2.632 -3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.512 3.946 -6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.503 5.444 -5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.704 3.352 -4.952 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.773 4.755 -5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.597 5.871 -4.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.111 5.717 -3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.338 4.571 -3.233 1.00 0.00 H new ATOM 229 N GLY A 15 9.900 4.844 -3.243 1.00 0.00 N ATOM 230 CA GLY A 15 8.474 4.978 -3.454 1.00 0.00 C ATOM 231 C GLY A 15 7.800 3.681 -3.857 1.00 0.00 C ATOM 232 O GLY A 15 6.887 3.689 -4.680 1.00 0.00 O ATOM 0 H GLY A 15 10.162 4.273 -2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.012 5.350 -2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.297 5.726 -4.227 1.00 0.00 H new ATOM 236 N PHE A 16 8.236 2.565 -3.289 1.00 0.00 N ATOM 237 CA PHE A 16 7.585 1.282 -3.549 1.00 0.00 C ATOM 238 C PHE A 16 7.686 0.370 -2.338 1.00 0.00 C ATOM 239 O PHE A 16 8.445 0.644 -1.404 1.00 0.00 O ATOM 240 CB PHE A 16 8.162 0.584 -4.791 1.00 0.00 C ATOM 241 CG PHE A 16 9.643 0.327 -4.750 1.00 0.00 C ATOM 242 CD1 PHE A 16 10.156 -0.768 -4.071 1.00 0.00 C ATOM 243 CD2 PHE A 16 10.520 1.168 -5.413 1.00 0.00 C ATOM 244 CE1 PHE A 16 11.515 -1.015 -4.051 1.00 0.00 C ATOM 245 CE2 PHE A 16 11.880 0.927 -5.395 1.00 0.00 C ATOM 246 CZ PHE A 16 12.379 -0.166 -4.713 1.00 0.00 C ATOM 0 H PHE A 16 9.030 2.518 -2.650 1.00 0.00 H new ATOM 0 HA PHE A 16 6.534 1.492 -3.747 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.648 -0.368 -4.925 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.939 1.193 -5.667 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.485 -1.436 -3.551 1.00 0.00 H new ATOM 0 HD2 PHE A 16 10.136 2.023 -5.951 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.901 -1.871 -3.518 1.00 0.00 H new ATOM 0 HE2 PHE A 16 12.553 1.593 -5.914 1.00 0.00 H new ATOM 0 HZ PHE A 16 13.442 -0.356 -4.698 1.00 0.00 H new ATOM 256 N GLY A 17 6.912 -0.704 -2.358 1.00 0.00 N ATOM 257 CA GLY A 17 6.904 -1.639 -1.253 1.00 0.00 C ATOM 258 C GLY A 17 5.807 -2.673 -1.391 1.00 0.00 C ATOM 259 O GLY A 17 5.275 -2.878 -2.485 1.00 0.00 O ATOM 0 H GLY A 17 6.285 -0.946 -3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.870 -2.141 -1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.773 -1.094 -0.318 1.00 0.00 H new ATOM 263 N PHE A 18 5.449 -3.307 -0.283 1.00 0.00 N ATOM 264 CA PHE A 18 4.446 -4.355 -0.286 1.00 0.00 C ATOM 265 C PHE A 18 3.530 -4.189 0.914 1.00 0.00 C ATOM 266 O PHE A 18 3.989 -4.078 2.055 1.00 0.00 O ATOM 267 CB PHE A 18 5.088 -5.744 -0.243 1.00 0.00 C ATOM 268 CG PHE A 18 5.976 -6.053 -1.418 1.00 0.00 C ATOM 269 CD1 PHE A 18 5.433 -6.478 -2.619 1.00 0.00 C ATOM 270 CD2 PHE A 18 7.352 -5.923 -1.317 1.00 0.00 C ATOM 271 CE1 PHE A 18 6.245 -6.765 -3.700 1.00 0.00 C ATOM 272 CE2 PHE A 18 8.170 -6.209 -2.394 1.00 0.00 C ATOM 273 CZ PHE A 18 7.615 -6.631 -3.587 1.00 0.00 C ATOM 0 H PHE A 18 5.844 -3.109 0.636 1.00 0.00 H new ATOM 0 HA PHE A 18 3.874 -4.270 -1.210 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.673 -5.833 0.673 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.299 -6.494 -0.191 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.362 -6.586 -2.712 1.00 0.00 H new ATOM 0 HD2 PHE A 18 7.790 -5.594 -0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.809 -7.094 -4.632 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.241 -6.103 -2.303 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.252 -6.856 -4.430 1.00 0.00 H new ATOM 283 N ILE A 19 2.244 -4.169 0.651 1.00 0.00 N ATOM 284 CA ILE A 19 1.251 -4.033 1.698 1.00 0.00 C ATOM 285 C ILE A 19 0.380 -5.276 1.735 1.00 0.00 C ATOM 286 O ILE A 19 -0.081 -5.756 0.696 1.00 0.00 O ATOM 287 CB ILE A 19 0.387 -2.770 1.492 1.00 0.00 C ATOM 288 CG1 ILE A 19 1.267 -1.518 1.575 1.00 0.00 C ATOM 289 CG2 ILE A 19 -0.737 -2.705 2.516 1.00 0.00 C ATOM 290 CD1 ILE A 19 0.537 -0.229 1.271 1.00 0.00 C ATOM 0 H ILE A 19 1.855 -4.246 -0.289 1.00 0.00 H new ATOM 0 HA ILE A 19 1.766 -3.924 2.653 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.068 -2.818 0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.695 -1.453 2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.099 -1.625 0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.330 -1.806 2.349 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.373 -3.584 2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.313 -2.678 3.520 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.229 0.609 1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.132 -0.270 0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.278 -0.096 1.983 1.00 0.00 H new ATOM 302 N LYS A 20 0.179 -5.807 2.928 1.00 0.00 N ATOM 303 CA LYS A 20 -0.553 -7.048 3.095 1.00 0.00 C ATOM 304 C LYS A 20 -1.877 -6.791 3.789 1.00 0.00 C ATOM 305 O LYS A 20 -1.923 -6.127 4.825 1.00 0.00 O ATOM 306 CB LYS A 20 0.269 -8.045 3.916 1.00 0.00 C ATOM 307 CG LYS A 20 -0.439 -9.369 4.150 1.00 0.00 C ATOM 308 CD LYS A 20 0.321 -10.252 5.122 1.00 0.00 C ATOM 309 CE LYS A 20 -0.433 -11.541 5.394 1.00 0.00 C ATOM 310 NZ LYS A 20 -1.798 -11.288 5.931 1.00 0.00 N ATOM 0 H LYS A 20 0.515 -5.395 3.799 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.743 -7.468 2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.213 -8.233 3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.512 -7.597 4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.441 -9.182 4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.556 -9.891 3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.306 -10.482 4.715 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.480 -9.716 6.058 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.508 -12.118 4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.129 -12.146 6.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.246 -12.193 6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.732 -10.688 6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.371 -10.807 5.209 1.00 0.00 H new ATOM 324 N ASP A 21 -2.946 -7.312 3.216 1.00 0.00 N ATOM 325 CA ASP A 21 -4.256 -7.225 3.835 1.00 0.00 C ATOM 326 C ASP A 21 -4.490 -8.456 4.694 1.00 0.00 C ATOM 327 O ASP A 21 -3.575 -9.258 4.911 1.00 0.00 O ATOM 328 CB ASP A 21 -5.360 -7.105 2.780 1.00 0.00 C ATOM 329 CG ASP A 21 -5.494 -8.342 1.919 1.00 0.00 C ATOM 330 OD1 ASP A 21 -4.489 -8.774 1.329 1.00 0.00 O ATOM 331 OD2 ASP A 21 -6.607 -8.880 1.814 1.00 0.00 O ATOM 0 H ASP A 21 -2.933 -7.801 2.321 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.287 -6.330 4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.310 -6.911 3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.153 -6.246 2.142 1.00 0.00 H new ATOM 336 N GLU A 22 -5.707 -8.615 5.170 1.00 0.00 N ATOM 337 CA GLU A 22 -6.025 -9.716 6.064 1.00 0.00 C ATOM 338 C GLU A 22 -6.781 -10.814 5.325 1.00 0.00 C ATOM 339 O GLU A 22 -6.999 -11.906 5.856 1.00 0.00 O ATOM 340 CB GLU A 22 -6.856 -9.216 7.241 1.00 0.00 C ATOM 341 CG GLU A 22 -6.559 -9.949 8.535 1.00 0.00 C ATOM 342 CD GLU A 22 -7.558 -9.636 9.623 1.00 0.00 C ATOM 343 OE1 GLU A 22 -7.651 -8.463 10.037 1.00 0.00 O ATOM 344 OE2 GLU A 22 -8.253 -10.569 10.074 1.00 0.00 O ATOM 0 H GLU A 22 -6.492 -8.000 4.956 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.089 -10.132 6.438 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.670 -8.151 7.383 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.914 -9.326 7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.556 -11.023 8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.559 -9.683 8.878 1.00 0.00 H new ATOM 351 N ASN A 23 -7.177 -10.521 4.098 1.00 0.00 N ATOM 352 CA ASN A 23 -7.951 -11.461 3.306 1.00 0.00 C ATOM 353 C ASN A 23 -7.042 -12.241 2.360 1.00 0.00 C ATOM 354 O ASN A 23 -7.159 -13.463 2.233 1.00 0.00 O ATOM 355 CB ASN A 23 -9.028 -10.718 2.509 1.00 0.00 C ATOM 356 CG ASN A 23 -10.003 -11.662 1.835 1.00 0.00 C ATOM 357 OD1 ASN A 23 -11.046 -11.998 2.397 1.00 0.00 O ATOM 358 ND2 ASN A 23 -9.675 -12.099 0.630 1.00 0.00 N ATOM 0 H ASN A 23 -6.975 -9.638 3.628 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.434 -12.167 3.982 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.574 -10.051 3.176 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.551 -10.093 1.754 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.296 -12.738 0.133 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.802 -11.797 0.198 1.00 0.00 H new ATOM 365 N GLY A 24 -6.134 -11.534 1.702 1.00 0.00 N ATOM 366 CA GLY A 24 -5.265 -12.162 0.727 1.00 0.00 C ATOM 367 C GLY A 24 -3.829 -12.292 1.197 1.00 0.00 C ATOM 368 O GLY A 24 -3.501 -13.188 1.977 1.00 0.00 O ATOM 0 H GLY A 24 -5.983 -10.533 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.653 -13.153 0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.287 -11.582 -0.195 1.00 0.00 H new ATOM 372 N ASP A 25 -2.976 -11.383 0.738 1.00 0.00 N ATOM 373 CA ASP A 25 -1.537 -11.490 0.963 1.00 0.00 C ATOM 374 C ASP A 25 -0.866 -10.159 0.614 1.00 0.00 C ATOM 375 O ASP A 25 -1.534 -9.125 0.551 1.00 0.00 O ATOM 376 CB ASP A 25 -0.960 -12.623 0.099 1.00 0.00 C ATOM 377 CG ASP A 25 0.336 -13.190 0.647 1.00 0.00 C ATOM 378 OD1 ASP A 25 1.420 -12.685 0.285 1.00 0.00 O ATOM 379 OD2 ASP A 25 0.279 -14.152 1.442 1.00 0.00 O ATOM 0 H ASP A 25 -3.257 -10.560 0.205 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.346 -11.718 2.012 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.696 -13.424 0.022 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.788 -12.250 -0.911 1.00 0.00 H new ATOM 384 N ASN A 26 0.441 -10.180 0.383 1.00 0.00 N ATOM 385 CA ASN A 26 1.175 -8.976 0.018 1.00 0.00 C ATOM 386 C ASN A 26 0.981 -8.659 -1.455 1.00 0.00 C ATOM 387 O ASN A 26 1.027 -9.548 -2.303 1.00 0.00 O ATOM 388 CB ASN A 26 2.673 -9.136 0.304 1.00 0.00 C ATOM 389 CG ASN A 26 3.030 -8.979 1.771 1.00 0.00 C ATOM 390 OD1 ASN A 26 3.037 -9.950 2.528 1.00 0.00 O ATOM 391 ND2 ASN A 26 3.351 -7.759 2.180 1.00 0.00 N ATOM 0 H ASN A 26 1.015 -11.021 0.442 1.00 0.00 H new ATOM 0 HA ASN A 26 0.784 -8.157 0.622 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.997 -10.119 -0.037 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.227 -8.399 -0.277 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.616 -7.600 3.152 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.333 -6.980 1.522 1.00 0.00 H new ATOM 398 N ARG A 27 0.746 -7.393 -1.751 1.00 0.00 N ATOM 399 CA ARG A 27 0.640 -6.934 -3.128 1.00 0.00 C ATOM 400 C ARG A 27 1.737 -5.927 -3.417 1.00 0.00 C ATOM 401 O ARG A 27 2.272 -5.303 -2.498 1.00 0.00 O ATOM 402 CB ARG A 27 -0.729 -6.305 -3.386 1.00 0.00 C ATOM 403 CG ARG A 27 -1.881 -7.281 -3.243 1.00 0.00 C ATOM 404 CD ARG A 27 -3.222 -6.576 -3.351 1.00 0.00 C ATOM 405 NE ARG A 27 -4.330 -7.456 -2.980 1.00 0.00 N ATOM 406 CZ ARG A 27 -4.563 -7.860 -1.731 1.00 0.00 C ATOM 407 NH1 ARG A 27 -3.735 -7.518 -0.755 1.00 0.00 N ATOM 408 NH2 ARG A 27 -5.617 -8.623 -1.455 1.00 0.00 N ATOM 0 H ARG A 27 0.624 -6.659 -1.053 1.00 0.00 H new ATOM 0 HA ARG A 27 0.752 -7.792 -3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.876 -5.478 -2.692 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.743 -5.884 -4.391 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.808 -8.048 -4.015 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.812 -7.789 -2.281 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.224 -5.698 -2.706 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.365 -6.222 -4.372 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.958 -7.778 -3.716 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.917 -6.944 -0.958 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.916 -7.829 0.200 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.253 -8.903 -2.201 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.789 -8.928 -0.497 1.00 0.00 H new ATOM 422 N TYR A 28 2.073 -5.783 -4.685 1.00 0.00 N ATOM 423 CA TYR A 28 3.085 -4.835 -5.107 1.00 0.00 C ATOM 424 C TYR A 28 2.494 -3.431 -5.170 1.00 0.00 C ATOM 425 O TYR A 28 1.560 -3.172 -5.931 1.00 0.00 O ATOM 426 CB TYR A 28 3.642 -5.249 -6.471 1.00 0.00 C ATOM 427 CG TYR A 28 4.715 -4.330 -7.011 1.00 0.00 C ATOM 428 CD1 TYR A 28 5.958 -4.245 -6.398 1.00 0.00 C ATOM 429 CD2 TYR A 28 4.486 -3.559 -8.143 1.00 0.00 C ATOM 430 CE1 TYR A 28 6.940 -3.410 -6.895 1.00 0.00 C ATOM 431 CE2 TYR A 28 5.463 -2.727 -8.648 1.00 0.00 C ATOM 432 CZ TYR A 28 6.689 -2.658 -8.023 1.00 0.00 C ATOM 433 OH TYR A 28 7.665 -1.834 -8.531 1.00 0.00 O ATOM 0 H TYR A 28 1.655 -6.317 -5.447 1.00 0.00 H new ATOM 0 HA TYR A 28 3.900 -4.831 -4.383 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.049 -6.257 -6.393 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.822 -5.291 -7.188 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.160 -4.840 -5.520 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.527 -3.612 -8.636 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.899 -3.347 -6.403 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.268 -2.133 -9.529 1.00 0.00 H new ATOM 0 HH TYR A 28 7.325 -1.377 -9.328 1.00 0.00 H new ATOM 443 N PHE A 29 3.026 -2.539 -4.348 1.00 0.00 N ATOM 444 CA PHE A 29 2.561 -1.163 -4.313 1.00 0.00 C ATOM 445 C PHE A 29 3.637 -0.216 -4.814 1.00 0.00 C ATOM 446 O PHE A 29 4.831 -0.518 -4.767 1.00 0.00 O ATOM 447 CB PHE A 29 2.141 -0.753 -2.899 1.00 0.00 C ATOM 448 CG PHE A 29 0.866 -1.389 -2.423 1.00 0.00 C ATOM 449 CD1 PHE A 29 0.817 -2.732 -2.097 1.00 0.00 C ATOM 450 CD2 PHE A 29 -0.286 -0.632 -2.292 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.354 -3.310 -1.648 1.00 0.00 C ATOM 452 CE2 PHE A 29 -1.459 -1.203 -1.844 1.00 0.00 C ATOM 453 CZ PHE A 29 -1.493 -2.545 -1.521 1.00 0.00 C ATOM 0 H PHE A 29 3.782 -2.745 -3.695 1.00 0.00 H new ATOM 0 HA PHE A 29 1.693 -1.099 -4.969 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.942 -1.010 -2.206 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.027 0.331 -2.866 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.706 -3.337 -2.195 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.266 0.418 -2.544 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.377 -4.360 -1.397 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.350 -0.601 -1.746 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.410 -2.994 -1.170 1.00 0.00 H new ATOM 463 N HIS A 30 3.198 0.935 -5.284 1.00 0.00 N ATOM 464 CA HIS A 30 4.094 1.956 -5.780 1.00 0.00 C ATOM 465 C HIS A 30 3.475 3.327 -5.520 1.00 0.00 C ATOM 466 O HIS A 30 2.272 3.512 -5.705 1.00 0.00 O ATOM 467 CB HIS A 30 4.376 1.738 -7.274 1.00 0.00 C ATOM 468 CG HIS A 30 5.461 2.614 -7.825 1.00 0.00 C ATOM 469 ND1 HIS A 30 5.257 3.494 -8.858 1.00 0.00 N ATOM 470 CD2 HIS A 30 6.762 2.748 -7.474 1.00 0.00 C ATOM 471 CE1 HIS A 30 6.372 4.140 -9.116 1.00 0.00 C ATOM 472 NE2 HIS A 30 7.307 3.707 -8.290 1.00 0.00 N ATOM 0 H HIS A 30 2.211 1.187 -5.332 1.00 0.00 H new ATOM 0 HA HIS A 30 5.049 1.899 -5.258 1.00 0.00 H new ATOM 0 HB2 HIS A 30 4.650 0.695 -7.433 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.459 1.916 -7.836 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.275 2.202 -6.696 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.502 4.897 -9.875 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.274 4.032 -8.263 1.00 0.00 H new ATOM 481 N VAL A 31 4.311 4.269 -5.086 1.00 0.00 N ATOM 482 CA VAL A 31 3.878 5.599 -4.635 1.00 0.00 C ATOM 483 C VAL A 31 2.923 6.292 -5.616 1.00 0.00 C ATOM 484 O VAL A 31 2.046 7.048 -5.206 1.00 0.00 O ATOM 485 CB VAL A 31 5.111 6.508 -4.385 1.00 0.00 C ATOM 486 CG1 VAL A 31 5.901 6.730 -5.669 1.00 0.00 C ATOM 487 CG2 VAL A 31 4.698 7.836 -3.771 1.00 0.00 C ATOM 0 H VAL A 31 5.321 4.133 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 31 3.327 5.443 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 31 5.759 5.995 -3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.759 7.370 -5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.248 5.771 -6.053 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.262 7.208 -6.411 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.582 8.452 -3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.016 8.353 -4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.199 7.657 -2.819 1.00 0.00 H new ATOM 497 N ILE A 32 3.081 6.009 -6.903 1.00 0.00 N ATOM 498 CA ILE A 32 2.305 6.675 -7.944 1.00 0.00 C ATOM 499 C ILE A 32 0.799 6.407 -7.800 1.00 0.00 C ATOM 500 O ILE A 32 -0.028 7.253 -8.135 1.00 0.00 O ATOM 501 CB ILE A 32 2.793 6.234 -9.345 1.00 0.00 C ATOM 502 CG1 ILE A 32 2.081 7.023 -10.434 1.00 0.00 C ATOM 503 CG2 ILE A 32 2.559 4.744 -9.549 1.00 0.00 C ATOM 504 CD1 ILE A 32 2.808 7.030 -11.760 1.00 0.00 C ATOM 0 H ILE A 32 3.744 5.318 -7.253 1.00 0.00 H new ATOM 0 HA ILE A 32 2.461 7.748 -7.829 1.00 0.00 H new ATOM 0 HB ILE A 32 3.863 6.434 -9.408 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.085 6.605 -10.579 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.950 8.051 -10.097 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.908 4.453 -10.540 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.106 4.183 -8.792 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.494 4.528 -9.462 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.238 7.612 -12.484 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.795 7.475 -11.632 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.916 6.007 -12.121 1.00 0.00 H new ATOM 516 N LYS A 33 0.458 5.247 -7.262 1.00 0.00 N ATOM 517 CA LYS A 33 -0.934 4.822 -7.158 1.00 0.00 C ATOM 518 C LYS A 33 -1.542 5.195 -5.809 1.00 0.00 C ATOM 519 O LYS A 33 -2.642 4.755 -5.472 1.00 0.00 O ATOM 520 CB LYS A 33 -1.040 3.310 -7.373 1.00 0.00 C ATOM 521 CG LYS A 33 -0.727 2.877 -8.795 1.00 0.00 C ATOM 522 CD LYS A 33 -1.689 3.515 -9.780 1.00 0.00 C ATOM 523 CE LYS A 33 -1.439 3.048 -11.204 1.00 0.00 C ATOM 524 NZ LYS A 33 -2.416 3.645 -12.153 1.00 0.00 N ATOM 0 H LYS A 33 1.129 4.577 -6.887 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.495 5.343 -7.934 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.358 2.805 -6.689 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.048 2.984 -7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.296 3.156 -9.047 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.789 1.791 -8.871 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.713 3.274 -9.494 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.591 4.600 -9.732 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.427 3.319 -11.504 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.505 1.961 -11.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.217 3.305 -13.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.380 3.366 -11.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.335 4.682 -12.128 1.00 0.00 H new ATOM 538 N VAL A 34 -0.828 6.005 -5.042 1.00 0.00 N ATOM 539 CA VAL A 34 -1.302 6.412 -3.730 1.00 0.00 C ATOM 540 C VAL A 34 -1.712 7.882 -3.749 1.00 0.00 C ATOM 541 O VAL A 34 -0.985 8.732 -4.265 1.00 0.00 O ATOM 542 CB VAL A 34 -0.224 6.189 -2.649 1.00 0.00 C ATOM 543 CG1 VAL A 34 -0.794 6.433 -1.260 1.00 0.00 C ATOM 544 CG2 VAL A 34 0.359 4.785 -2.755 1.00 0.00 C ATOM 0 H VAL A 34 0.078 6.392 -5.305 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.167 5.796 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 34 0.580 6.906 -2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.016 6.270 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.155 7.459 -1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.620 5.745 -1.080 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.117 4.647 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.435 4.050 -2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.812 4.652 -3.738 1.00 0.00 H new ATOM 554 N ALA A 35 -2.881 8.175 -3.194 1.00 0.00 N ATOM 555 CA ALA A 35 -3.403 9.538 -3.182 1.00 0.00 C ATOM 556 C ALA A 35 -2.811 10.344 -2.028 1.00 0.00 C ATOM 557 O ALA A 35 -2.769 11.574 -2.069 1.00 0.00 O ATOM 558 CB ALA A 35 -4.920 9.518 -3.087 1.00 0.00 C ATOM 0 H ALA A 35 -3.487 7.488 -2.746 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.112 10.021 -4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.298 10.540 -3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.331 8.986 -3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.220 9.013 -2.169 1.00 0.00 H new ATOM 564 N ASN A 36 -2.369 9.644 -0.997 1.00 0.00 N ATOM 565 CA ASN A 36 -1.751 10.276 0.166 1.00 0.00 C ATOM 566 C ASN A 36 -0.497 9.503 0.582 1.00 0.00 C ATOM 567 O ASN A 36 -0.468 8.824 1.608 1.00 0.00 O ATOM 568 CB ASN A 36 -2.766 10.396 1.322 1.00 0.00 C ATOM 569 CG ASN A 36 -3.450 9.082 1.696 1.00 0.00 C ATOM 570 OD1 ASN A 36 -3.410 8.100 0.952 1.00 0.00 O ATOM 571 ND2 ASN A 36 -4.138 9.074 2.831 1.00 0.00 N ATOM 0 H ASN A 36 -2.426 8.627 -0.938 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.443 11.288 -0.098 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.254 10.789 2.200 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.529 11.124 1.046 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.653 8.239 3.109 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.151 9.903 3.425 1.00 0.00 H new ATOM 578 N PRO A 37 0.567 9.609 -0.235 1.00 0.00 N ATOM 579 CA PRO A 37 1.767 8.772 -0.110 1.00 0.00 C ATOM 580 C PRO A 37 2.697 9.172 1.033 1.00 0.00 C ATOM 581 O PRO A 37 3.496 8.361 1.497 1.00 0.00 O ATOM 582 CB PRO A 37 2.464 8.976 -1.451 1.00 0.00 C ATOM 583 CG PRO A 37 2.082 10.353 -1.865 1.00 0.00 C ATOM 584 CD PRO A 37 0.681 10.563 -1.359 1.00 0.00 C ATOM 0 HA PRO A 37 1.501 7.740 0.121 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.545 8.876 -1.355 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.139 8.237 -2.183 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.764 11.091 -1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.126 10.461 -2.949 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.524 11.590 -1.030 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.059 10.360 -2.133 1.00 0.00 H new ATOM 592 N ASP A 38 2.605 10.411 1.493 1.00 0.00 N ATOM 593 CA ASP A 38 3.488 10.874 2.564 1.00 0.00 C ATOM 594 C ASP A 38 2.955 10.421 3.913 1.00 0.00 C ATOM 595 O ASP A 38 3.624 10.530 4.939 1.00 0.00 O ATOM 596 CB ASP A 38 3.630 12.393 2.539 1.00 0.00 C ATOM 597 CG ASP A 38 4.734 12.888 3.458 1.00 0.00 C ATOM 598 OD1 ASP A 38 5.911 12.527 3.233 1.00 0.00 O ATOM 599 OD2 ASP A 38 4.430 13.636 4.414 1.00 0.00 O ATOM 0 H ASP A 38 1.942 11.107 1.152 1.00 0.00 H new ATOM 0 HA ASP A 38 4.474 10.438 2.404 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.837 12.719 1.520 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.685 12.848 2.834 1.00 0.00 H new ATOM 604 N LEU A 39 1.747 9.895 3.889 1.00 0.00 N ATOM 605 CA LEU A 39 1.107 9.382 5.081 1.00 0.00 C ATOM 606 C LEU A 39 1.375 7.891 5.209 1.00 0.00 C ATOM 607 O LEU A 39 1.017 7.263 6.204 1.00 0.00 O ATOM 608 CB LEU A 39 -0.394 9.654 5.021 1.00 0.00 C ATOM 609 CG LEU A 39 -0.790 11.133 5.087 1.00 0.00 C ATOM 610 CD1 LEU A 39 -2.297 11.290 4.994 1.00 0.00 C ATOM 611 CD2 LEU A 39 -0.271 11.768 6.368 1.00 0.00 C ATOM 0 H LEU A 39 1.183 9.812 3.043 1.00 0.00 H new ATOM 0 HA LEU A 39 1.517 9.886 5.957 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.788 9.229 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.876 9.128 5.845 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.337 11.644 4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.556 12.348 5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.649 10.873 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.770 10.762 5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.562 12.818 6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.695 11.250 7.228 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.816 11.692 6.398 1.00 0.00 H new ATOM 623 N ILE A 40 2.010 7.335 4.186 1.00 0.00 N ATOM 624 CA ILE A 40 2.376 5.932 4.182 1.00 0.00 C ATOM 625 C ILE A 40 3.509 5.685 5.166 1.00 0.00 C ATOM 626 O ILE A 40 4.633 6.151 4.967 1.00 0.00 O ATOM 627 CB ILE A 40 2.823 5.472 2.781 1.00 0.00 C ATOM 628 CG1 ILE A 40 1.678 5.588 1.775 1.00 0.00 C ATOM 629 CG2 ILE A 40 3.347 4.044 2.825 1.00 0.00 C ATOM 630 CD1 ILE A 40 2.059 5.155 0.375 1.00 0.00 C ATOM 0 H ILE A 40 2.282 7.842 3.344 1.00 0.00 H new ATOM 0 HA ILE A 40 1.494 5.361 4.474 1.00 0.00 H new ATOM 0 HB ILE A 40 3.631 6.128 2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.840 4.982 2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.333 6.622 1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.657 3.739 1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.200 3.990 3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.560 3.378 3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.199 5.264 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.877 5.777 0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.376 4.112 0.390 1.00 0.00 H new ATOM 642 N LYS A 41 3.202 4.976 6.236 1.00 0.00 N ATOM 643 CA LYS A 41 4.189 4.659 7.250 1.00 0.00 C ATOM 644 C LYS A 41 4.030 3.209 7.684 1.00 0.00 C ATOM 645 O LYS A 41 2.961 2.619 7.522 1.00 0.00 O ATOM 646 CB LYS A 41 4.041 5.601 8.450 1.00 0.00 C ATOM 647 CG LYS A 41 4.077 7.074 8.068 1.00 0.00 C ATOM 648 CD LYS A 41 3.985 7.986 9.278 1.00 0.00 C ATOM 649 CE LYS A 41 3.942 9.445 8.852 1.00 0.00 C ATOM 650 NZ LYS A 41 4.027 10.372 10.009 1.00 0.00 N ATOM 0 H LYS A 41 2.270 4.607 6.426 1.00 0.00 H new ATOM 0 HA LYS A 41 5.187 4.794 6.833 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.100 5.387 8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.840 5.398 9.163 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.000 7.284 7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.253 7.291 7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.092 7.744 9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.841 7.818 9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.766 9.646 8.167 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.019 9.634 8.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.994 11.355 9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.227 10.200 10.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.920 10.211 10.518 1.00 0.00 H new ATOM 664 N LYS A 42 5.095 2.638 8.222 1.00 0.00 N ATOM 665 CA LYS A 42 5.096 1.242 8.644 1.00 0.00 C ATOM 666 C LYS A 42 4.032 0.993 9.712 1.00 0.00 C ATOM 667 O LYS A 42 3.859 1.799 10.630 1.00 0.00 O ATOM 668 CB LYS A 42 6.494 0.852 9.151 1.00 0.00 C ATOM 669 CG LYS A 42 6.670 -0.633 9.460 1.00 0.00 C ATOM 670 CD LYS A 42 6.216 -0.985 10.869 1.00 0.00 C ATOM 671 CE LYS A 42 6.450 -2.454 11.186 1.00 0.00 C ATOM 672 NZ LYS A 42 5.957 -2.809 12.542 1.00 0.00 N ATOM 0 H LYS A 42 5.979 3.123 8.379 1.00 0.00 H new ATOM 0 HA LYS A 42 4.850 0.615 7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.231 1.143 8.403 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.711 1.425 10.052 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.102 -1.222 8.740 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.718 -0.906 9.339 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.753 -0.368 11.589 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.156 -0.754 10.978 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.946 -3.071 10.442 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.515 -2.676 11.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.324 -3.744 12.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.284 -2.099 13.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.917 -2.833 12.538 1.00 0.00 H new ATOM 686 N ASP A 43 3.311 -0.120 9.547 1.00 0.00 N ATOM 687 CA ASP A 43 2.299 -0.583 10.506 1.00 0.00 C ATOM 688 C ASP A 43 1.016 0.250 10.427 1.00 0.00 C ATOM 689 O ASP A 43 0.078 0.044 11.197 1.00 0.00 O ATOM 690 CB ASP A 43 2.863 -0.581 11.931 1.00 0.00 C ATOM 691 CG ASP A 43 1.979 -1.305 12.926 1.00 0.00 C ATOM 692 OD1 ASP A 43 1.531 -2.432 12.622 1.00 0.00 O ATOM 693 OD2 ASP A 43 1.765 -0.769 14.032 1.00 0.00 O ATOM 0 H ASP A 43 3.413 -0.732 8.737 1.00 0.00 H new ATOM 0 HA ASP A 43 2.038 -1.607 10.238 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.849 -1.047 11.925 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.999 0.449 12.259 1.00 0.00 H new ATOM 698 N ALA A 44 0.962 1.174 9.479 1.00 0.00 N ATOM 699 CA ALA A 44 -0.246 1.956 9.260 1.00 0.00 C ATOM 700 C ALA A 44 -1.218 1.185 8.374 1.00 0.00 C ATOM 701 O ALA A 44 -0.807 0.303 7.612 1.00 0.00 O ATOM 702 CB ALA A 44 0.088 3.307 8.643 1.00 0.00 C ATOM 0 H ALA A 44 1.735 1.400 8.853 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.721 2.135 10.225 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.830 3.873 8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.747 3.860 9.312 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.587 3.156 7.686 1.00 0.00 H new ATOM 708 N ALA A 45 -2.499 1.513 8.472 1.00 0.00 N ATOM 709 CA ALA A 45 -3.523 0.814 7.714 1.00 0.00 C ATOM 710 C ALA A 45 -3.912 1.603 6.471 1.00 0.00 C ATOM 711 O ALA A 45 -4.042 2.825 6.514 1.00 0.00 O ATOM 712 CB ALA A 45 -4.743 0.557 8.587 1.00 0.00 C ATOM 0 H ALA A 45 -2.852 2.260 9.070 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.116 -0.145 7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.502 0.033 8.006 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.456 -0.053 9.443 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.146 1.507 8.937 1.00 0.00 H new ATOM 718 N VAL A 46 -4.082 0.899 5.363 1.00 0.00 N ATOM 719 CA VAL A 46 -4.483 1.521 4.110 1.00 0.00 C ATOM 720 C VAL A 46 -5.621 0.740 3.471 1.00 0.00 C ATOM 721 O VAL A 46 -5.887 -0.403 3.848 1.00 0.00 O ATOM 722 CB VAL A 46 -3.312 1.598 3.103 1.00 0.00 C ATOM 723 CG1 VAL A 46 -2.169 2.429 3.660 1.00 0.00 C ATOM 724 CG2 VAL A 46 -2.829 0.205 2.731 1.00 0.00 C ATOM 0 H VAL A 46 -3.948 -0.110 5.306 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.807 2.534 4.349 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.677 2.087 2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.359 2.467 2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.521 3.440 3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.807 1.977 4.583 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.005 0.283 2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.488 -0.313 3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.647 -0.354 2.277 1.00 0.00 H new ATOM 734 N THR A 47 -6.287 1.357 2.510 1.00 0.00 N ATOM 735 CA THR A 47 -7.320 0.685 1.742 1.00 0.00 C ATOM 736 C THR A 47 -7.044 0.848 0.252 1.00 0.00 C ATOM 737 O THR A 47 -6.600 1.912 -0.192 1.00 0.00 O ATOM 738 CB THR A 47 -8.732 1.205 2.090 1.00 0.00 C ATOM 739 OG1 THR A 47 -8.751 2.638 2.100 1.00 0.00 O ATOM 740 CG2 THR A 47 -9.190 0.681 3.446 1.00 0.00 C ATOM 0 H THR A 47 -6.129 2.328 2.242 1.00 0.00 H new ATOM 0 HA THR A 47 -7.295 -0.373 2.003 1.00 0.00 H new ATOM 0 HB THR A 47 -9.417 0.841 1.324 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.653 2.952 2.320 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.187 1.063 3.666 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.215 -0.409 3.426 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.496 1.014 4.218 1.00 0.00 H new ATOM 748 N PHE A 48 -7.282 -0.208 -0.509 1.00 0.00 N ATOM 749 CA PHE A 48 -6.905 -0.235 -1.916 1.00 0.00 C ATOM 750 C PHE A 48 -7.821 -1.144 -2.721 1.00 0.00 C ATOM 751 O PHE A 48 -8.516 -1.993 -2.161 1.00 0.00 O ATOM 752 CB PHE A 48 -5.461 -0.718 -2.051 1.00 0.00 C ATOM 753 CG PHE A 48 -5.144 -1.906 -1.176 1.00 0.00 C ATOM 754 CD1 PHE A 48 -5.446 -3.193 -1.592 1.00 0.00 C ATOM 755 CD2 PHE A 48 -4.550 -1.731 0.065 1.00 0.00 C ATOM 756 CE1 PHE A 48 -5.162 -4.281 -0.790 1.00 0.00 C ATOM 757 CE2 PHE A 48 -4.264 -2.816 0.871 1.00 0.00 C ATOM 758 CZ PHE A 48 -4.569 -4.092 0.442 1.00 0.00 C ATOM 0 H PHE A 48 -7.735 -1.059 -0.177 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.000 0.777 -2.310 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.269 -0.980 -3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.787 0.100 -1.799 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.909 -3.347 -2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.308 -0.735 0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.404 -5.278 -1.126 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.802 -2.666 1.836 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.344 -4.942 1.070 1.00 0.00 H new ATOM 768 N GLU A 49 -7.795 -0.974 -4.037 1.00 0.00 N ATOM 769 CA GLU A 49 -8.585 -1.808 -4.933 1.00 0.00 C ATOM 770 C GLU A 49 -7.720 -2.961 -5.436 1.00 0.00 C ATOM 771 O GLU A 49 -6.531 -2.772 -5.698 1.00 0.00 O ATOM 772 CB GLU A 49 -9.090 -0.997 -6.136 1.00 0.00 C ATOM 773 CG GLU A 49 -9.585 0.403 -5.801 1.00 0.00 C ATOM 774 CD GLU A 49 -10.697 0.420 -4.768 1.00 0.00 C ATOM 775 OE1 GLU A 49 -11.822 -0.015 -5.091 1.00 0.00 O ATOM 776 OE2 GLU A 49 -10.455 0.887 -3.634 1.00 0.00 O ATOM 0 H GLU A 49 -7.234 -0.264 -4.508 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.446 -2.189 -4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.285 -0.917 -6.866 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.900 -1.549 -6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.749 0.997 -5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.940 0.883 -6.713 1.00 0.00 H new ATOM 783 N PRO A 50 -8.300 -4.160 -5.594 1.00 0.00 N ATOM 784 CA PRO A 50 -7.558 -5.335 -6.051 1.00 0.00 C ATOM 785 C PRO A 50 -7.336 -5.362 -7.563 1.00 0.00 C ATOM 786 O PRO A 50 -8.206 -4.966 -8.343 1.00 0.00 O ATOM 787 CB PRO A 50 -8.448 -6.500 -5.628 1.00 0.00 C ATOM 788 CG PRO A 50 -9.832 -5.946 -5.597 1.00 0.00 C ATOM 789 CD PRO A 50 -9.712 -4.471 -5.312 1.00 0.00 C ATOM 0 HA PRO A 50 -6.554 -5.358 -5.627 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.372 -7.329 -6.332 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.156 -6.884 -4.650 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.336 -6.115 -6.549 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.428 -6.440 -4.829 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.382 -3.888 -5.944 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.971 -4.243 -4.278 1.00 0.00 H new ATOM 797 N THR A 51 -6.167 -5.841 -7.961 1.00 0.00 N ATOM 798 CA THR A 51 -5.818 -5.983 -9.365 1.00 0.00 C ATOM 799 C THR A 51 -4.623 -6.926 -9.501 1.00 0.00 C ATOM 800 O THR A 51 -4.085 -7.406 -8.499 1.00 0.00 O ATOM 801 CB THR A 51 -5.501 -4.614 -10.016 1.00 0.00 C ATOM 802 OG1 THR A 51 -5.321 -4.758 -11.433 1.00 0.00 O ATOM 803 CG2 THR A 51 -4.252 -3.997 -9.409 1.00 0.00 C ATOM 0 H THR A 51 -5.434 -6.142 -7.319 1.00 0.00 H new ATOM 0 HA THR A 51 -6.676 -6.402 -9.890 1.00 0.00 H new ATOM 0 HB THR A 51 -6.348 -3.955 -9.825 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.596 -3.932 -11.883 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.053 -3.037 -9.884 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.402 -3.848 -8.340 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.404 -4.663 -9.567 1.00 0.00 H new ATOM 811 N THR A 52 -4.218 -7.200 -10.728 1.00 0.00 N ATOM 812 CA THR A 52 -3.133 -8.134 -10.978 1.00 0.00 C ATOM 813 C THR A 52 -1.936 -7.429 -11.619 1.00 0.00 C ATOM 814 O THR A 52 -2.082 -6.389 -12.267 1.00 0.00 O ATOM 815 CB THR A 52 -3.610 -9.280 -11.885 1.00 0.00 C ATOM 816 OG1 THR A 52 -4.963 -9.619 -11.546 1.00 0.00 O ATOM 817 CG2 THR A 52 -2.729 -10.512 -11.728 1.00 0.00 C ATOM 0 H THR A 52 -4.624 -6.789 -11.568 1.00 0.00 H new ATOM 0 HA THR A 52 -2.818 -8.544 -10.019 1.00 0.00 H new ATOM 0 HB THR A 52 -3.550 -8.946 -12.921 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.272 -10.348 -12.123 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.092 -11.305 -12.382 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.703 -10.262 -11.996 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.761 -10.853 -10.693 1.00 0.00 H new ATOM 825 N ASN A 53 -0.756 -8.004 -11.431 1.00 0.00 N ATOM 826 CA ASN A 53 0.482 -7.426 -11.934 1.00 0.00 C ATOM 827 C ASN A 53 1.310 -8.499 -12.637 1.00 0.00 C ATOM 828 O ASN A 53 1.014 -9.688 -12.528 1.00 0.00 O ATOM 829 CB ASN A 53 1.284 -6.828 -10.781 1.00 0.00 C ATOM 830 CG ASN A 53 2.414 -5.966 -11.279 1.00 0.00 C ATOM 831 OD1 ASN A 53 3.547 -6.422 -11.418 1.00 0.00 O ATOM 832 ND2 ASN A 53 2.103 -4.726 -11.591 1.00 0.00 N ATOM 0 H ASN A 53 -0.630 -8.882 -10.927 1.00 0.00 H new ATOM 0 HA ASN A 53 0.240 -6.638 -12.647 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.625 -6.234 -10.148 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.684 -7.630 -10.161 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.816 -4.100 -11.965 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.149 -4.391 -11.459 1.00 0.00 H new ATOM 839 N ASN A 54 2.347 -8.082 -13.348 1.00 0.00 N ATOM 840 CA ASN A 54 3.232 -9.012 -14.034 1.00 0.00 C ATOM 841 C ASN A 54 4.042 -9.833 -13.030 1.00 0.00 C ATOM 842 O ASN A 54 4.255 -11.030 -13.219 1.00 0.00 O ATOM 843 CB ASN A 54 4.177 -8.250 -14.964 1.00 0.00 C ATOM 844 CG ASN A 54 5.062 -9.165 -15.790 1.00 0.00 C ATOM 845 OD1 ASN A 54 6.160 -9.539 -15.374 1.00 0.00 O ATOM 846 ND2 ASN A 54 4.599 -9.511 -16.977 1.00 0.00 N ATOM 0 H ASN A 54 2.597 -7.100 -13.465 1.00 0.00 H new ATOM 0 HA ASN A 54 2.619 -9.694 -14.624 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.590 -7.621 -15.633 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.805 -7.586 -14.370 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.156 -10.110 -17.587 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.684 -9.180 -17.284 1.00 0.00 H new ATOM 853 N LYS A 55 4.475 -9.187 -11.950 1.00 0.00 N ATOM 854 CA LYS A 55 5.322 -9.833 -10.961 1.00 0.00 C ATOM 855 C LYS A 55 4.502 -10.465 -9.833 1.00 0.00 C ATOM 856 O LYS A 55 5.059 -11.090 -8.931 1.00 0.00 O ATOM 857 CB LYS A 55 6.316 -8.815 -10.397 1.00 0.00 C ATOM 858 CG LYS A 55 5.668 -7.638 -9.684 1.00 0.00 C ATOM 859 CD LYS A 55 6.670 -6.528 -9.403 1.00 0.00 C ATOM 860 CE LYS A 55 7.221 -5.929 -10.690 1.00 0.00 C ATOM 861 NZ LYS A 55 8.178 -4.821 -10.427 1.00 0.00 N ATOM 0 H LYS A 55 4.250 -8.214 -11.741 1.00 0.00 H new ATOM 0 HA LYS A 55 5.865 -10.640 -11.453 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.984 -9.323 -9.702 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.933 -8.436 -11.212 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.854 -7.247 -10.294 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.229 -7.978 -8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.191 -5.746 -8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.491 -6.922 -8.804 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.719 -6.708 -11.268 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.396 -5.558 -11.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.358 -4.301 -11.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.774 -4.174 -9.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.072 -5.212 -10.067 1.00 0.00 H new ATOM 875 N GLY A 56 3.185 -10.314 -9.889 1.00 0.00 N ATOM 876 CA GLY A 56 2.335 -10.881 -8.858 1.00 0.00 C ATOM 877 C GLY A 56 1.000 -10.179 -8.756 1.00 0.00 C ATOM 878 O GLY A 56 0.336 -9.942 -9.765 1.00 0.00 O ATOM 0 H GLY A 56 2.691 -9.811 -10.626 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.171 -11.938 -9.068 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.847 -10.823 -7.897 1.00 0.00 H new ATOM 882 N LEU A 57 0.600 -9.864 -7.537 1.00 0.00 N ATOM 883 CA LEU A 57 -0.629 -9.133 -7.291 1.00 0.00 C ATOM 884 C LEU A 57 -0.319 -7.667 -7.012 1.00 0.00 C ATOM 885 O LEU A 57 0.784 -7.333 -6.578 1.00 0.00 O ATOM 886 CB LEU A 57 -1.368 -9.750 -6.105 1.00 0.00 C ATOM 887 CG LEU A 57 -1.875 -11.177 -6.325 1.00 0.00 C ATOM 888 CD1 LEU A 57 -2.538 -11.705 -5.062 1.00 0.00 C ATOM 889 CD2 LEU A 57 -2.849 -11.229 -7.497 1.00 0.00 C ATOM 0 H LEU A 57 1.117 -10.107 -6.692 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.263 -9.194 -8.175 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.703 -9.747 -5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.217 -9.114 -5.856 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.020 -11.811 -6.561 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.893 -12.721 -5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.816 -11.707 -4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.381 -11.066 -4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.197 -12.253 -7.636 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.701 -10.581 -7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.346 -10.891 -8.403 1.00 0.00 H new ATOM 901 N SER A 58 -1.286 -6.798 -7.253 1.00 0.00 N ATOM 902 CA SER A 58 -1.088 -5.370 -7.074 1.00 0.00 C ATOM 903 C SER A 58 -2.377 -4.691 -6.643 1.00 0.00 C ATOM 904 O SER A 58 -3.441 -5.316 -6.615 1.00 0.00 O ATOM 905 CB SER A 58 -0.564 -4.730 -8.357 1.00 0.00 C ATOM 906 OG SER A 58 -1.135 -5.341 -9.501 1.00 0.00 O ATOM 0 H SER A 58 -2.219 -7.058 -7.574 1.00 0.00 H new ATOM 0 HA SER A 58 -0.346 -5.235 -6.287 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.795 -3.665 -8.356 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.522 -4.821 -8.396 1.00 0.00 H new ATOM 0 HG SER A 58 -0.886 -4.833 -10.302 1.00 0.00 H new ATOM 912 N ALA A 59 -2.268 -3.430 -6.260 1.00 0.00 N ATOM 913 CA ALA A 59 -3.428 -2.656 -5.852 1.00 0.00 C ATOM 914 C ALA A 59 -3.408 -1.261 -6.471 1.00 0.00 C ATOM 915 O ALA A 59 -2.342 -0.713 -6.758 1.00 0.00 O ATOM 916 CB ALA A 59 -3.480 -2.561 -4.341 1.00 0.00 C ATOM 0 H ALA A 59 -1.386 -2.920 -6.223 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.322 -3.167 -6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.352 -1.979 -4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.549 -3.562 -3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.576 -2.073 -3.976 1.00 0.00 H new ATOM 922 N TYR A 60 -4.594 -0.702 -6.684 1.00 0.00 N ATOM 923 CA TYR A 60 -4.733 0.658 -7.197 1.00 0.00 C ATOM 924 C TYR A 60 -5.546 1.491 -6.227 1.00 0.00 C ATOM 925 O TYR A 60 -6.145 0.948 -5.295 1.00 0.00 O ATOM 926 CB TYR A 60 -5.424 0.686 -8.562 1.00 0.00 C ATOM 927 CG TYR A 60 -4.685 -0.031 -9.669 1.00 0.00 C ATOM 928 CD1 TYR A 60 -3.308 0.078 -9.805 1.00 0.00 C ATOM 929 CD2 TYR A 60 -5.376 -0.808 -10.586 1.00 0.00 C ATOM 930 CE1 TYR A 60 -2.638 -0.574 -10.823 1.00 0.00 C ATOM 931 CE2 TYR A 60 -4.717 -1.461 -11.607 1.00 0.00 C ATOM 932 CZ TYR A 60 -3.348 -1.341 -11.722 1.00 0.00 C ATOM 933 OH TYR A 60 -2.688 -1.992 -12.741 1.00 0.00 O ATOM 0 H TYR A 60 -5.481 -1.174 -6.508 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.729 1.067 -7.309 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.414 0.242 -8.460 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.570 1.725 -8.857 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.751 0.682 -9.104 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.448 -0.904 -10.500 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.566 -0.483 -10.914 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.270 -2.063 -12.313 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.334 -2.489 -13.284 1.00 0.00 H new ATOM 943 N ALA A 61 -5.580 2.802 -6.472 1.00 0.00 N ATOM 944 CA ALA A 61 -6.330 3.738 -5.643 1.00 0.00 C ATOM 945 C ALA A 61 -6.026 3.520 -4.168 1.00 0.00 C ATOM 946 O ALA A 61 -6.919 3.228 -3.371 1.00 0.00 O ATOM 947 CB ALA A 61 -7.824 3.612 -5.915 1.00 0.00 C ATOM 0 H ALA A 61 -5.088 3.241 -7.250 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.019 4.750 -5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.369 4.318 -5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.023 3.831 -6.964 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.151 2.597 -5.688 1.00 0.00 H new ATOM 953 N VAL A 62 -4.756 3.640 -3.819 1.00 0.00 N ATOM 954 CA VAL A 62 -4.316 3.392 -2.459 1.00 0.00 C ATOM 955 C VAL A 62 -4.475 4.643 -1.603 1.00 0.00 C ATOM 956 O VAL A 62 -3.915 5.698 -1.910 1.00 0.00 O ATOM 957 CB VAL A 62 -2.845 2.925 -2.423 1.00 0.00 C ATOM 958 CG1 VAL A 62 -2.438 2.516 -1.013 1.00 0.00 C ATOM 959 CG2 VAL A 62 -2.620 1.782 -3.403 1.00 0.00 C ATOM 0 H VAL A 62 -4.011 3.908 -4.462 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.944 2.599 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.216 3.763 -2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.398 2.191 -1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.552 3.366 -0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.073 1.698 -0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.577 1.468 -3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.263 0.943 -3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.859 2.116 -4.413 1.00 0.00 H new ATOM 969 N LYS A 63 -5.265 4.529 -0.549 1.00 0.00 N ATOM 970 CA LYS A 63 -5.434 5.608 0.396 1.00 0.00 C ATOM 971 C LYS A 63 -5.091 5.136 1.799 1.00 0.00 C ATOM 972 O LYS A 63 -5.604 4.115 2.270 1.00 0.00 O ATOM 973 CB LYS A 63 -6.861 6.166 0.363 1.00 0.00 C ATOM 974 CG LYS A 63 -7.962 5.115 0.317 1.00 0.00 C ATOM 975 CD LYS A 63 -8.291 4.719 -1.113 1.00 0.00 C ATOM 976 CE LYS A 63 -9.325 3.607 -1.183 1.00 0.00 C ATOM 977 NZ LYS A 63 -9.637 3.245 -2.593 1.00 0.00 N ATOM 0 H LYS A 63 -5.802 3.690 -0.329 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.754 6.410 0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.012 6.790 1.244 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.962 6.814 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.650 4.234 0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.857 5.502 0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.662 5.591 -1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.380 4.396 -1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.954 2.729 -0.654 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.237 3.923 -0.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.015 2.277 -2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.344 3.906 -2.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.770 3.299 -3.165 1.00 0.00 H new ATOM 991 N VAL A 64 -4.207 5.874 2.448 1.00 0.00 N ATOM 992 CA VAL A 64 -3.799 5.572 3.810 1.00 0.00 C ATOM 993 C VAL A 64 -4.839 6.095 4.791 1.00 0.00 C ATOM 994 O VAL A 64 -5.536 7.066 4.497 1.00 0.00 O ATOM 995 CB VAL A 64 -2.430 6.211 4.133 1.00 0.00 C ATOM 996 CG1 VAL A 64 -1.893 5.728 5.473 1.00 0.00 C ATOM 997 CG2 VAL A 64 -1.435 5.927 3.023 1.00 0.00 C ATOM 0 H VAL A 64 -3.753 6.696 2.048 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.712 4.490 3.904 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.574 7.289 4.204 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.929 6.197 5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.594 5.995 6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.771 4.645 5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.477 6.385 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.306 4.850 2.917 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.807 6.342 2.086 1.00 0.00 H new ATOM 1007 N VAL A 65 -4.947 5.441 5.939 1.00 0.00 N ATOM 1008 CA VAL A 65 -5.857 5.863 6.992 1.00 0.00 C ATOM 1009 C VAL A 65 -5.079 6.488 8.152 1.00 0.00 C ATOM 1010 O VAL A 65 -4.654 5.787 9.073 1.00 0.00 O ATOM 1011 CB VAL A 65 -6.715 4.691 7.518 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -7.685 5.168 8.590 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.462 4.015 6.375 1.00 0.00 C ATOM 0 H VAL A 65 -4.408 4.605 6.165 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.527 6.605 6.558 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.047 3.957 7.969 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.278 4.325 8.945 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.126 5.595 9.423 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.346 5.926 8.171 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.060 3.192 6.767 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.116 4.739 5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.745 3.629 5.650 1.00 0.00 H new ATOM 1023 N PRO A 66 -4.828 7.804 8.097 1.00 0.00 N ATOM 1024 CA PRO A 66 -4.092 8.500 9.147 1.00 0.00 C ATOM 1025 C PRO A 66 -4.944 8.715 10.394 1.00 0.00 C ATOM 1026 O PRO A 66 -6.147 8.969 10.301 1.00 0.00 O ATOM 1027 CB PRO A 66 -3.738 9.836 8.498 1.00 0.00 C ATOM 1028 CG PRO A 66 -4.827 10.076 7.511 1.00 0.00 C ATOM 1029 CD PRO A 66 -5.258 8.718 7.023 1.00 0.00 C ATOM 0 HA PRO A 66 -3.224 7.937 9.489 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.690 10.635 9.237 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.764 9.794 8.011 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.660 10.607 7.972 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.474 10.693 6.684 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.336 8.673 6.867 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.788 8.467 6.072 1.00 0.00 H new