USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 688 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 73 GLN : amide:sc= 0.455 X(o=0.46,f=0.14) USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 28 HIS : no HD1:sc= -1.2 K(o=-1.1,f=-12!) USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 4 THR OG1 : rot 146:sc= 0.194 USER MOD Single : A 10 THR OG1 : rot 79:sc= 0.687 USER MOD Single : A 15 THR OG1 : rot 69:sc= 0.691 USER MOD Single : A 16 CYS SG : rot -170:sc= -2.05 USER MOD Single : A 22 THR OG1 : rot -57:sc= 0.801 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.75 USER MOD Single : A 27 SER OG : rot 120:sc= -0.0521 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -172:sc=-0.00221 (180deg=-0.0565) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 67:sc= 0.252 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0.0026) USER MOD Single : A 65 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.35) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.512 K(o=-0.51,f=-1.3) USER MOD Single : A 91 LYS NZ :NH3+ -141:sc= -0.0218 (180deg=-0.705) USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 -6.914 -2.633 2.690 1.00 0.00 N ATOM 46 CA THR A 4 -5.480 -2.446 2.933 1.00 0.00 C ATOM 47 C THR A 4 -5.006 -1.161 2.228 1.00 0.00 C ATOM 48 O THR A 4 -4.372 -0.317 2.855 1.00 0.00 O ATOM 49 CB THR A 4 -4.673 -3.696 2.457 1.00 0.00 C ATOM 50 OG1 THR A 4 -5.102 -4.833 3.227 1.00 0.00 O ATOM 51 CG2 THR A 4 -3.151 -3.518 2.605 1.00 0.00 C ATOM 0 HA THR A 4 -5.303 -2.338 4.003 1.00 0.00 H new ATOM 0 HB THR A 4 -4.870 -3.838 1.395 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.074 -5.637 2.667 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.644 -4.419 2.258 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.825 -2.666 2.009 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.905 -3.344 3.653 1.00 0.00 H new ATOM 59 N PHE A 5 -5.420 -1.002 0.950 1.00 0.00 N ATOM 60 CA PHE A 5 -5.166 0.214 0.142 1.00 0.00 C ATOM 61 C PHE A 5 -5.680 1.489 0.847 1.00 0.00 C ATOM 62 O PHE A 5 -5.024 2.522 0.784 1.00 0.00 O ATOM 63 CB PHE A 5 -5.813 0.078 -1.274 1.00 0.00 C ATOM 64 CG PHE A 5 -6.016 1.414 -2.005 1.00 0.00 C ATOM 65 CD1 PHE A 5 -4.928 2.139 -2.487 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.293 1.970 -2.141 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.111 3.371 -3.076 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.469 3.197 -2.743 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.377 3.896 -3.204 1.00 0.00 C ATOM 0 H PHE A 5 -5.943 -1.718 0.447 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.086 0.311 0.030 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.184 -0.567 -1.888 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.778 -0.419 -1.174 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.932 1.731 -2.398 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.152 1.431 -1.769 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.259 3.926 -3.438 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.461 3.609 -2.853 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.514 4.861 -3.669 1.00 0.00 H new ATOM 79 N ASP A 6 -6.862 1.402 1.480 1.00 0.00 N ATOM 80 CA ASP A 6 -7.473 2.531 2.222 1.00 0.00 C ATOM 81 C ASP A 6 -6.512 3.046 3.309 1.00 0.00 C ATOM 82 O ASP A 6 -6.245 4.253 3.413 1.00 0.00 O ATOM 83 CB ASP A 6 -8.822 2.090 2.839 1.00 0.00 C ATOM 84 CG ASP A 6 -9.506 3.171 3.699 1.00 0.00 C ATOM 85 OD1 ASP A 6 -10.081 4.122 3.126 1.00 0.00 O ATOM 86 OD2 ASP A 6 -9.481 3.075 4.946 1.00 0.00 O ATOM 0 H ASP A 6 -7.424 0.551 1.495 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.662 3.349 1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.499 1.799 2.035 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.656 1.204 3.453 1.00 0.00 H new ATOM 91 N ARG A 7 -5.965 2.089 4.070 1.00 0.00 N ATOM 92 CA ARG A 7 -4.971 2.360 5.116 1.00 0.00 C ATOM 93 C ARG A 7 -3.635 2.872 4.522 1.00 0.00 C ATOM 94 O ARG A 7 -3.029 3.785 5.087 1.00 0.00 O ATOM 95 CB ARG A 7 -4.739 1.092 5.968 1.00 0.00 C ATOM 96 CG ARG A 7 -5.932 0.677 6.857 1.00 0.00 C ATOM 97 CD ARG A 7 -6.191 1.675 7.999 1.00 0.00 C ATOM 98 NE ARG A 7 -7.336 1.268 8.847 1.00 0.00 N ATOM 99 CZ ARG A 7 -8.227 2.108 9.401 1.00 0.00 C ATOM 100 NH1 ARG A 7 -8.157 3.414 9.194 1.00 0.00 N ATOM 101 NH2 ARG A 7 -9.199 1.622 10.161 1.00 0.00 N ATOM 0 H ARG A 7 -6.201 1.101 3.977 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.364 3.151 5.754 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.496 0.264 5.302 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.869 1.254 6.605 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.828 0.594 6.242 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.741 -0.310 7.278 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.296 1.760 8.616 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.384 2.663 7.580 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.458 0.271 9.024 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.418 3.798 8.606 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.842 4.036 9.623 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.267 0.617 10.322 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.879 2.253 10.585 1.00 0.00 H new ATOM 115 N VAL A 8 -3.207 2.316 3.359 1.00 0.00 N ATOM 116 CA VAL A 8 -1.928 2.686 2.700 1.00 0.00 C ATOM 117 C VAL A 8 -1.980 4.137 2.193 1.00 0.00 C ATOM 118 O VAL A 8 -1.040 4.899 2.399 1.00 0.00 O ATOM 119 CB VAL A 8 -1.588 1.723 1.494 1.00 0.00 C ATOM 120 CG1 VAL A 8 -0.319 2.174 0.724 1.00 0.00 C ATOM 121 CG2 VAL A 8 -1.432 0.269 1.979 1.00 0.00 C ATOM 0 H VAL A 8 -3.735 1.604 2.855 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.143 2.588 3.450 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.427 1.775 0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.125 1.482 -0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.473 3.176 0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.534 2.181 1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.198 -0.374 1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.625 0.214 2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.362 -0.062 2.440 1.00 0.00 H new ATOM 131 N ALA A 9 -3.117 4.496 1.563 1.00 0.00 N ATOM 132 CA ALA A 9 -3.381 5.843 1.020 1.00 0.00 C ATOM 133 C ALA A 9 -3.264 6.889 2.129 1.00 0.00 C ATOM 134 O ALA A 9 -2.619 7.929 1.950 1.00 0.00 O ATOM 135 CB ALA A 9 -4.786 5.905 0.370 1.00 0.00 C ATOM 0 H ALA A 9 -3.890 3.847 1.415 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.638 6.058 0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.961 6.906 -0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.843 5.180 -0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.544 5.672 1.118 1.00 0.00 H new ATOM 141 N THR A 10 -3.870 6.562 3.287 1.00 0.00 N ATOM 142 CA THR A 10 -3.814 7.394 4.496 1.00 0.00 C ATOM 143 C THR A 10 -2.363 7.595 4.979 1.00 0.00 C ATOM 144 O THR A 10 -1.957 8.727 5.208 1.00 0.00 O ATOM 145 CB THR A 10 -4.693 6.776 5.628 1.00 0.00 C ATOM 146 OG1 THR A 10 -6.028 6.609 5.127 1.00 0.00 O ATOM 147 CG2 THR A 10 -4.732 7.643 6.906 1.00 0.00 C ATOM 0 H THR A 10 -4.414 5.708 3.406 1.00 0.00 H new ATOM 0 HA THR A 10 -4.214 8.376 4.242 1.00 0.00 H new ATOM 0 HB THR A 10 -4.248 5.821 5.908 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.070 5.804 4.569 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.359 7.159 7.655 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.722 7.758 7.298 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.143 8.624 6.668 1.00 0.00 H new ATOM 155 N ILE A 11 -1.588 6.494 5.073 1.00 0.00 N ATOM 156 CA ILE A 11 -0.162 6.521 5.495 1.00 0.00 C ATOM 157 C ILE A 11 0.690 7.430 4.582 1.00 0.00 C ATOM 158 O ILE A 11 1.456 8.268 5.077 1.00 0.00 O ATOM 159 CB ILE A 11 0.442 5.059 5.513 1.00 0.00 C ATOM 160 CG1 ILE A 11 -0.268 4.189 6.599 1.00 0.00 C ATOM 161 CG2 ILE A 11 1.982 5.059 5.715 1.00 0.00 C ATOM 162 CD1 ILE A 11 0.110 2.720 6.595 1.00 0.00 C ATOM 0 H ILE A 11 -1.929 5.557 4.859 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.132 6.934 6.503 1.00 0.00 H new ATOM 0 HB ILE A 11 0.255 4.617 4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.040 4.604 7.581 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.346 4.271 6.460 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.348 4.032 5.720 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.456 5.609 4.902 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.224 5.535 6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.435 2.202 7.384 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.144 2.281 5.630 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.182 2.620 6.768 1.00 0.00 H new ATOM 174 N ILE A 12 0.530 7.261 3.261 1.00 0.00 N ATOM 175 CA ILE A 12 1.232 8.063 2.239 1.00 0.00 C ATOM 176 C ILE A 12 0.919 9.565 2.420 1.00 0.00 C ATOM 177 O ILE A 12 1.820 10.413 2.369 1.00 0.00 O ATOM 178 CB ILE A 12 0.824 7.585 0.788 1.00 0.00 C ATOM 179 CG1 ILE A 12 1.269 6.108 0.547 1.00 0.00 C ATOM 180 CG2 ILE A 12 1.389 8.508 -0.315 1.00 0.00 C ATOM 181 CD1 ILE A 12 1.029 5.570 -0.853 1.00 0.00 C ATOM 0 H ILE A 12 -0.095 6.559 2.865 1.00 0.00 H new ATOM 0 HA ILE A 12 2.305 7.918 2.363 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.263 7.641 0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.333 6.027 0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.744 5.469 1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.081 8.137 -1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.008 9.519 -0.174 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.477 8.519 -0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.374 4.538 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.036 5.610 -1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.577 6.176 -1.575 1.00 0.00 H new ATOM 193 N ALA A 13 -0.371 9.858 2.650 1.00 0.00 N ATOM 194 CA ALA A 13 -0.868 11.207 2.969 1.00 0.00 C ATOM 195 C ALA A 13 -0.201 11.802 4.229 1.00 0.00 C ATOM 196 O ALA A 13 0.192 12.977 4.225 1.00 0.00 O ATOM 197 CB ALA A 13 -2.395 11.163 3.124 1.00 0.00 C ATOM 0 H ALA A 13 -1.109 9.155 2.619 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.602 11.867 2.143 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.766 12.160 3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.845 10.820 2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.659 10.478 3.929 1.00 0.00 H new ATOM 203 N GLU A 14 -0.074 10.981 5.294 1.00 0.00 N ATOM 204 CA GLU A 14 0.583 11.381 6.557 1.00 0.00 C ATOM 205 C GLU A 14 2.073 11.709 6.343 1.00 0.00 C ATOM 206 O GLU A 14 2.616 12.608 6.995 1.00 0.00 O ATOM 207 CB GLU A 14 0.476 10.255 7.625 1.00 0.00 C ATOM 208 CG GLU A 14 -0.951 9.783 7.969 1.00 0.00 C ATOM 209 CD GLU A 14 -1.874 10.897 8.485 1.00 0.00 C ATOM 210 OE1 GLU A 14 -1.680 11.353 9.634 1.00 0.00 O ATOM 211 OE2 GLU A 14 -2.806 11.309 7.764 1.00 0.00 O ATOM 0 H GLU A 14 -0.424 10.023 5.302 1.00 0.00 H new ATOM 0 HA GLU A 14 0.064 12.274 6.907 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.048 9.395 7.276 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.953 10.604 8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.399 9.338 7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.890 8.998 8.723 1.00 0.00 H new ATOM 218 N THR A 15 2.724 10.954 5.441 1.00 0.00 N ATOM 219 CA THR A 15 4.170 11.056 5.218 1.00 0.00 C ATOM 220 C THR A 15 4.532 12.280 4.344 1.00 0.00 C ATOM 221 O THR A 15 5.260 13.169 4.796 1.00 0.00 O ATOM 222 CB THR A 15 4.732 9.748 4.564 1.00 0.00 C ATOM 223 OG1 THR A 15 4.346 8.612 5.353 1.00 0.00 O ATOM 224 CG2 THR A 15 6.270 9.774 4.427 1.00 0.00 C ATOM 0 H THR A 15 2.263 10.261 4.851 1.00 0.00 H new ATOM 0 HA THR A 15 4.633 11.189 6.196 1.00 0.00 H new ATOM 0 HB THR A 15 4.311 9.679 3.561 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.378 8.476 5.279 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.610 8.845 3.968 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.565 10.617 3.802 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.721 9.878 5.414 1.00 0.00 H new ATOM 232 N CYS A 16 3.997 12.336 3.110 1.00 0.00 N ATOM 233 CA CYS A 16 4.456 13.277 2.063 1.00 0.00 C ATOM 234 C CYS A 16 3.527 14.506 1.910 1.00 0.00 C ATOM 235 O CYS A 16 3.617 15.209 0.898 1.00 0.00 O ATOM 236 CB CYS A 16 4.567 12.493 0.729 1.00 0.00 C ATOM 237 SG CYS A 16 5.801 11.173 0.765 1.00 0.00 S ATOM 0 H CYS A 16 3.234 11.731 2.808 1.00 0.00 H new ATOM 0 HA CYS A 16 5.427 13.679 2.354 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.595 12.063 0.488 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.815 13.189 -0.072 1.00 0.00 H new ATOM 0 HG CYS A 16 5.978 10.711 -0.437 1.00 0.00 H new ATOM 243 N ASP A 17 2.678 14.779 2.940 1.00 0.00 N ATOM 244 CA ASP A 17 1.738 15.939 2.971 1.00 0.00 C ATOM 245 C ASP A 17 0.936 16.070 1.648 1.00 0.00 C ATOM 246 O ASP A 17 1.131 17.007 0.864 1.00 0.00 O ATOM 247 CB ASP A 17 2.505 17.257 3.337 1.00 0.00 C ATOM 248 CG ASP A 17 1.602 18.507 3.462 1.00 0.00 C ATOM 249 OD1 ASP A 17 0.582 18.448 4.174 1.00 0.00 O ATOM 250 OD2 ASP A 17 1.929 19.568 2.880 1.00 0.00 O ATOM 0 H ASP A 17 2.625 14.198 3.777 1.00 0.00 H new ATOM 0 HA ASP A 17 1.001 15.758 3.754 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.030 17.107 4.280 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.263 17.445 2.576 1.00 0.00 H new ATOM 255 N ILE A 18 0.076 15.076 1.387 1.00 0.00 N ATOM 256 CA ILE A 18 -0.725 14.983 0.141 1.00 0.00 C ATOM 257 C ILE A 18 -2.133 14.429 0.465 1.00 0.00 C ATOM 258 O ILE A 18 -2.266 13.659 1.402 1.00 0.00 O ATOM 259 CB ILE A 18 0.006 14.086 -0.956 1.00 0.00 C ATOM 260 CG1 ILE A 18 0.628 12.801 -0.315 1.00 0.00 C ATOM 261 CG2 ILE A 18 1.082 14.895 -1.733 1.00 0.00 C ATOM 262 CD1 ILE A 18 1.415 11.929 -1.279 1.00 0.00 C ATOM 0 H ILE A 18 -0.090 14.305 2.034 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.828 15.983 -0.280 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.752 13.772 -1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.285 13.100 0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.173 12.205 0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.559 14.251 -2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.610 15.738 -2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.833 15.265 -1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.809 11.063 -0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.761 11.594 -2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.241 12.504 -1.698 1.00 0.00 H new ATOM 274 N PRO A 19 -3.211 14.850 -0.273 1.00 0.00 N ATOM 275 CA PRO A 19 -4.594 14.366 -0.021 1.00 0.00 C ATOM 276 C PRO A 19 -4.808 12.913 -0.511 1.00 0.00 C ATOM 277 O PRO A 19 -4.764 12.655 -1.714 1.00 0.00 O ATOM 278 CB PRO A 19 -5.464 15.376 -0.818 1.00 0.00 C ATOM 279 CG PRO A 19 -4.584 15.825 -1.948 1.00 0.00 C ATOM 280 CD PRO A 19 -3.175 15.842 -1.387 1.00 0.00 C ATOM 0 HA PRO A 19 -4.840 14.326 1.040 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.376 14.908 -1.188 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.768 16.217 -0.194 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.659 15.146 -2.797 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.876 16.813 -2.303 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.442 15.564 -2.144 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.902 16.834 -1.028 1.00 0.00 H new ATOM 288 N ARG A 20 -5.092 11.974 0.425 1.00 0.00 N ATOM 289 CA ARG A 20 -5.243 10.528 0.116 1.00 0.00 C ATOM 290 C ARG A 20 -6.427 10.236 -0.824 1.00 0.00 C ATOM 291 O ARG A 20 -6.492 9.154 -1.415 1.00 0.00 O ATOM 292 CB ARG A 20 -5.300 9.666 1.420 1.00 0.00 C ATOM 293 CG ARG A 20 -6.489 9.882 2.400 1.00 0.00 C ATOM 294 CD ARG A 20 -7.807 9.256 1.917 1.00 0.00 C ATOM 295 NE ARG A 20 -7.645 7.853 1.477 1.00 0.00 N ATOM 296 CZ ARG A 20 -8.292 6.796 1.972 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.058 6.897 3.050 1.00 0.00 N ATOM 298 NH2 ARG A 20 -8.145 5.621 1.391 1.00 0.00 N ATOM 0 H ARG A 20 -5.223 12.195 1.412 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.348 10.233 -0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.300 8.617 1.124 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.378 9.841 1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.230 9.459 3.371 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.637 10.952 2.548 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.541 9.298 2.722 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.205 9.848 1.092 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.977 7.677 0.726 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.162 7.797 3.519 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.543 6.075 3.410 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.542 5.528 0.573 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.634 4.805 1.759 1.00 0.00 H new ATOM 312 N GLU A 21 -7.353 11.206 -0.946 1.00 0.00 N ATOM 313 CA GLU A 21 -8.576 11.074 -1.763 1.00 0.00 C ATOM 314 C GLU A 21 -8.221 11.005 -3.258 1.00 0.00 C ATOM 315 O GLU A 21 -8.913 10.348 -4.042 1.00 0.00 O ATOM 316 CB GLU A 21 -9.521 12.274 -1.480 1.00 0.00 C ATOM 317 CG GLU A 21 -8.908 13.662 -1.783 1.00 0.00 C ATOM 318 CD GLU A 21 -9.836 14.829 -1.426 1.00 0.00 C ATOM 319 OE1 GLU A 21 -9.874 15.224 -0.247 1.00 0.00 O ATOM 320 OE2 GLU A 21 -10.548 15.341 -2.316 1.00 0.00 O ATOM 0 H GLU A 21 -7.274 12.109 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.086 10.149 -1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.427 12.154 -2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.820 12.245 -0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.975 13.767 -1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.658 13.717 -2.843 1.00 0.00 H new ATOM 327 N THR A 22 -7.117 11.680 -3.632 1.00 0.00 N ATOM 328 CA THR A 22 -6.643 11.748 -5.024 1.00 0.00 C ATOM 329 C THR A 22 -5.767 10.528 -5.363 1.00 0.00 C ATOM 330 O THR A 22 -5.523 10.249 -6.542 1.00 0.00 O ATOM 331 CB THR A 22 -5.856 13.073 -5.290 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.713 13.140 -4.429 1.00 0.00 O ATOM 333 CG2 THR A 22 -6.737 14.319 -5.061 1.00 0.00 C ATOM 0 H THR A 22 -6.529 12.193 -2.975 1.00 0.00 H new ATOM 0 HA THR A 22 -7.519 11.738 -5.673 1.00 0.00 H new ATOM 0 HB THR A 22 -5.542 13.065 -6.334 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.002 13.072 -3.495 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.153 15.218 -5.256 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.593 14.288 -5.735 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.088 14.331 -4.029 1.00 0.00 H new ATOM 341 N ILE A 23 -5.323 9.781 -4.321 1.00 0.00 N ATOM 342 CA ILE A 23 -4.506 8.571 -4.489 1.00 0.00 C ATOM 343 C ILE A 23 -5.465 7.432 -4.909 1.00 0.00 C ATOM 344 O ILE A 23 -6.316 7.006 -4.113 1.00 0.00 O ATOM 345 CB ILE A 23 -3.707 8.204 -3.152 1.00 0.00 C ATOM 346 CG1 ILE A 23 -2.449 9.123 -2.933 1.00 0.00 C ATOM 347 CG2 ILE A 23 -3.273 6.719 -3.119 1.00 0.00 C ATOM 348 CD1 ILE A 23 -2.717 10.594 -2.702 1.00 0.00 C ATOM 0 H ILE A 23 -5.525 10.007 -3.347 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.745 8.731 -5.252 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.409 8.381 -2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.892 8.740 -2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.801 9.027 -3.804 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.734 6.518 -2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.155 6.081 -3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.623 6.511 -3.969 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.772 11.119 -2.565 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.240 11.008 -3.564 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.332 10.716 -1.811 1.00 0.00 H new ATOM 360 N THR A 24 -5.378 7.013 -6.184 1.00 0.00 N ATOM 361 CA THR A 24 -6.201 5.921 -6.743 1.00 0.00 C ATOM 362 C THR A 24 -5.459 4.576 -6.582 1.00 0.00 C ATOM 363 O THR A 24 -4.233 4.572 -6.434 1.00 0.00 O ATOM 364 CB THR A 24 -6.527 6.184 -8.258 1.00 0.00 C ATOM 365 OG1 THR A 24 -5.318 6.206 -9.025 1.00 0.00 O ATOM 366 CG2 THR A 24 -7.301 7.505 -8.463 1.00 0.00 C ATOM 0 H THR A 24 -4.733 7.423 -6.860 1.00 0.00 H new ATOM 0 HA THR A 24 -7.143 5.880 -6.197 1.00 0.00 H new ATOM 0 HB THR A 24 -7.165 5.369 -8.600 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.531 6.369 -9.968 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.505 7.646 -9.524 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.242 7.464 -7.915 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.703 8.338 -8.095 1.00 0.00 H new ATOM 374 N PRO A 25 -6.181 3.402 -6.588 1.00 0.00 N ATOM 375 CA PRO A 25 -5.525 2.067 -6.578 1.00 0.00 C ATOM 376 C PRO A 25 -4.726 1.791 -7.875 1.00 0.00 C ATOM 377 O PRO A 25 -3.837 0.949 -7.886 1.00 0.00 O ATOM 378 CB PRO A 25 -6.707 1.076 -6.393 1.00 0.00 C ATOM 379 CG PRO A 25 -7.907 1.819 -6.896 1.00 0.00 C ATOM 380 CD PRO A 25 -7.670 3.272 -6.548 1.00 0.00 C ATOM 0 HA PRO A 25 -4.779 1.979 -5.789 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.545 0.157 -6.956 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.826 0.792 -5.347 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.024 1.689 -7.972 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.820 1.449 -6.429 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.151 3.940 -7.263 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.068 3.519 -5.564 1.00 0.00 H new ATOM 388 N GLU A 26 -5.006 2.553 -8.950 1.00 0.00 N ATOM 389 CA GLU A 26 -4.325 2.397 -10.251 1.00 0.00 C ATOM 390 C GLU A 26 -3.222 3.467 -10.416 1.00 0.00 C ATOM 391 O GLU A 26 -2.607 3.576 -11.482 1.00 0.00 O ATOM 392 CB GLU A 26 -5.371 2.482 -11.393 1.00 0.00 C ATOM 393 CG GLU A 26 -6.185 3.793 -11.435 1.00 0.00 C ATOM 394 CD GLU A 26 -7.271 3.780 -12.520 1.00 0.00 C ATOM 395 OE1 GLU A 26 -6.958 4.108 -13.685 1.00 0.00 O ATOM 396 OE2 GLU A 26 -8.431 3.410 -12.219 1.00 0.00 O ATOM 0 H GLU A 26 -5.709 3.292 -8.942 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.842 1.421 -10.294 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.857 2.360 -12.346 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.063 1.645 -11.295 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.650 3.959 -10.463 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.510 4.630 -11.612 1.00 0.00 H new ATOM 403 N SER A 27 -2.977 4.241 -9.338 1.00 0.00 N ATOM 404 CA SER A 27 -1.955 5.295 -9.316 1.00 0.00 C ATOM 405 C SER A 27 -0.566 4.690 -9.118 1.00 0.00 C ATOM 406 O SER A 27 -0.399 3.763 -8.323 1.00 0.00 O ATOM 407 CB SER A 27 -2.242 6.302 -8.182 1.00 0.00 C ATOM 408 OG SER A 27 -1.247 7.304 -8.115 1.00 0.00 O ATOM 0 H SER A 27 -3.486 4.148 -8.459 1.00 0.00 H new ATOM 0 HA SER A 27 -1.986 5.815 -10.273 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.216 6.765 -8.343 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.293 5.774 -7.230 1.00 0.00 H new ATOM 0 HG SER A 27 -1.658 8.183 -8.253 1.00 0.00 H new ATOM 414 N HIS A 28 0.414 5.216 -9.854 1.00 0.00 N ATOM 415 CA HIS A 28 1.823 4.903 -9.645 1.00 0.00 C ATOM 416 C HIS A 28 2.365 5.855 -8.568 1.00 0.00 C ATOM 417 O HIS A 28 2.402 7.070 -8.790 1.00 0.00 O ATOM 418 CB HIS A 28 2.616 5.070 -10.958 1.00 0.00 C ATOM 419 CG HIS A 28 3.937 4.366 -10.941 1.00 0.00 C ATOM 420 ND1 HIS A 28 4.975 4.780 -10.151 1.00 0.00 N ATOM 421 CD2 HIS A 28 4.311 3.270 -11.612 1.00 0.00 C ATOM 422 CE1 HIS A 28 5.950 3.924 -10.367 1.00 0.00 C ATOM 423 NE2 HIS A 28 5.594 2.992 -11.249 1.00 0.00 N ATOM 0 H HIS A 28 0.249 5.874 -10.615 1.00 0.00 H new ATOM 0 HA HIS A 28 1.932 3.867 -9.323 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.019 4.689 -11.787 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.779 6.132 -11.144 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.708 2.710 -12.311 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.917 3.971 -9.889 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.170 2.221 -11.587 1.00 0.00 H new ATOM 431 N ALA A 29 2.746 5.307 -7.400 1.00 0.00 N ATOM 432 CA ALA A 29 3.310 6.079 -6.274 1.00 0.00 C ATOM 433 C ALA A 29 4.485 6.996 -6.691 1.00 0.00 C ATOM 434 O ALA A 29 4.571 8.134 -6.240 1.00 0.00 O ATOM 435 CB ALA A 29 3.737 5.113 -5.160 1.00 0.00 C ATOM 0 H ALA A 29 2.671 4.308 -7.208 1.00 0.00 H new ATOM 0 HA ALA A 29 2.529 6.746 -5.909 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.154 5.679 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.871 4.548 -4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.490 4.425 -5.544 1.00 0.00 H new ATOM 441 N ILE A 30 5.329 6.526 -7.618 1.00 0.00 N ATOM 442 CA ILE A 30 6.549 7.257 -8.007 1.00 0.00 C ATOM 443 C ILE A 30 6.234 8.214 -9.175 1.00 0.00 C ATOM 444 O ILE A 30 6.470 9.418 -9.075 1.00 0.00 O ATOM 445 CB ILE A 30 7.727 6.281 -8.400 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.139 5.395 -7.178 1.00 0.00 C ATOM 447 CG2 ILE A 30 8.953 7.044 -8.976 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.281 4.423 -7.453 1.00 0.00 C ATOM 0 H ILE A 30 5.193 5.645 -8.114 1.00 0.00 H new ATOM 0 HA ILE A 30 6.882 7.832 -7.143 1.00 0.00 H new ATOM 0 HB ILE A 30 7.359 5.629 -9.192 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.426 6.048 -6.353 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.269 4.828 -6.848 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.737 6.332 -9.232 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.654 7.591 -9.870 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.328 7.745 -8.230 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.498 3.852 -6.550 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.994 3.741 -8.254 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.169 4.980 -7.752 1.00 0.00 H new ATOM 460 N ASP A 31 5.660 7.668 -10.255 1.00 0.00 N ATOM 461 CA ASP A 31 5.516 8.375 -11.546 1.00 0.00 C ATOM 462 C ASP A 31 4.313 9.339 -11.561 1.00 0.00 C ATOM 463 O ASP A 31 4.409 10.446 -12.112 1.00 0.00 O ATOM 464 CB ASP A 31 5.404 7.346 -12.705 1.00 0.00 C ATOM 465 CG ASP A 31 5.376 7.996 -14.102 1.00 0.00 C ATOM 466 OD1 ASP A 31 6.349 8.709 -14.447 1.00 0.00 O ATOM 467 OD2 ASP A 31 4.389 7.817 -14.851 1.00 0.00 O ATOM 0 H ASP A 31 5.280 6.722 -10.264 1.00 0.00 H new ATOM 0 HA ASP A 31 6.409 8.984 -11.685 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.246 6.656 -12.651 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.498 6.755 -12.570 1.00 0.00 H new ATOM 472 N ASP A 32 3.185 8.931 -10.950 1.00 0.00 N ATOM 473 CA ASP A 32 1.946 9.747 -10.939 1.00 0.00 C ATOM 474 C ASP A 32 1.957 10.703 -9.741 1.00 0.00 C ATOM 475 O ASP A 32 1.822 11.921 -9.909 1.00 0.00 O ATOM 476 CB ASP A 32 0.661 8.863 -10.899 1.00 0.00 C ATOM 477 CG ASP A 32 0.333 8.202 -12.247 1.00 0.00 C ATOM 478 OD1 ASP A 32 0.011 8.930 -13.210 1.00 0.00 O ATOM 479 OD2 ASP A 32 0.365 6.962 -12.351 1.00 0.00 O ATOM 0 H ASP A 32 3.101 8.042 -10.456 1.00 0.00 H new ATOM 0 HA ASP A 32 1.924 10.319 -11.867 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.786 8.087 -10.143 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.184 9.477 -10.589 1.00 0.00 H new ATOM 484 N LEU A 33 2.129 10.137 -8.529 1.00 0.00 N ATOM 485 CA LEU A 33 2.111 10.914 -7.266 1.00 0.00 C ATOM 486 C LEU A 33 3.405 11.727 -7.056 1.00 0.00 C ATOM 487 O LEU A 33 3.477 12.538 -6.128 1.00 0.00 O ATOM 488 CB LEU A 33 1.862 9.971 -6.056 1.00 0.00 C ATOM 489 CG LEU A 33 0.576 9.091 -6.126 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.458 8.175 -4.887 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.701 9.957 -6.319 1.00 0.00 C ATOM 0 H LEU A 33 2.283 9.138 -8.395 1.00 0.00 H new ATOM 0 HA LEU A 33 1.292 11.630 -7.341 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.724 9.312 -5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.814 10.578 -5.152 1.00 0.00 H new ATOM 0 HG LEU A 33 0.665 8.450 -7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.448 7.574 -4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.326 7.518 -4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.412 8.786 -3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.577 9.309 -6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.802 10.647 -5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.620 10.522 -7.248 1.00 0.00 H new ATOM 503 N GLY A 34 4.417 11.490 -7.917 1.00 0.00 N ATOM 504 CA GLY A 34 5.677 12.247 -7.893 1.00 0.00 C ATOM 505 C GLY A 34 6.505 12.027 -6.628 1.00 0.00 C ATOM 506 O GLY A 34 7.258 12.911 -6.213 1.00 0.00 O ATOM 0 H GLY A 34 4.380 10.773 -8.642 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.275 11.967 -8.760 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.454 13.309 -7.989 1.00 0.00 H new ATOM 510 N ILE A 35 6.369 10.836 -6.024 1.00 0.00 N ATOM 511 CA ILE A 35 7.064 10.477 -4.778 1.00 0.00 C ATOM 512 C ILE A 35 8.437 9.881 -5.120 1.00 0.00 C ATOM 513 O ILE A 35 8.522 8.937 -5.912 1.00 0.00 O ATOM 514 CB ILE A 35 6.211 9.448 -3.948 1.00 0.00 C ATOM 515 CG1 ILE A 35 4.842 10.083 -3.535 1.00 0.00 C ATOM 516 CG2 ILE A 35 6.974 8.914 -2.709 1.00 0.00 C ATOM 517 CD1 ILE A 35 3.856 9.113 -2.909 1.00 0.00 C ATOM 0 H ILE A 35 5.772 10.093 -6.387 1.00 0.00 H new ATOM 0 HA ILE A 35 7.199 11.372 -4.170 1.00 0.00 H new ATOM 0 HB ILE A 35 6.020 8.589 -4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.031 10.893 -2.831 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.382 10.528 -4.417 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.343 8.208 -2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.886 8.412 -3.032 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.230 9.746 -2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.937 9.641 -2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.632 8.315 -3.616 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.290 8.686 -2.005 1.00 0.00 H new ATOM 529 N ASP A 36 9.506 10.461 -4.547 1.00 0.00 N ATOM 530 CA ASP A 36 10.881 9.971 -4.730 1.00 0.00 C ATOM 531 C ASP A 36 11.108 8.704 -3.886 1.00 0.00 C ATOM 532 O ASP A 36 10.369 8.449 -2.925 1.00 0.00 O ATOM 533 CB ASP A 36 11.896 11.087 -4.353 1.00 0.00 C ATOM 534 CG ASP A 36 13.339 10.781 -4.790 1.00 0.00 C ATOM 535 OD1 ASP A 36 14.090 10.135 -4.025 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.721 11.157 -5.922 1.00 0.00 O ATOM 0 H ASP A 36 9.440 11.282 -3.945 1.00 0.00 H new ATOM 0 HA ASP A 36 11.035 9.711 -5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.578 12.025 -4.809 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.876 11.235 -3.273 1.00 0.00 H new ATOM 541 N SER A 37 12.148 7.933 -4.257 1.00 0.00 N ATOM 542 CA SER A 37 12.518 6.676 -3.591 1.00 0.00 C ATOM 543 C SER A 37 12.802 6.886 -2.088 1.00 0.00 C ATOM 544 O SER A 37 12.451 6.033 -1.273 1.00 0.00 O ATOM 545 CB SER A 37 13.747 6.057 -4.298 1.00 0.00 C ATOM 546 OG SER A 37 13.528 5.964 -5.700 1.00 0.00 O ATOM 0 H SER A 37 12.760 8.171 -5.037 1.00 0.00 H new ATOM 0 HA SER A 37 11.674 5.990 -3.665 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.630 6.666 -4.103 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.947 5.066 -3.890 1.00 0.00 H new ATOM 0 HG SER A 37 14.317 5.572 -6.129 1.00 0.00 H new ATOM 552 N LEU A 38 13.370 8.066 -1.731 1.00 0.00 N ATOM 553 CA LEU A 38 13.755 8.383 -0.337 1.00 0.00 C ATOM 554 C LEU A 38 12.507 8.575 0.541 1.00 0.00 C ATOM 555 O LEU A 38 12.490 8.165 1.706 1.00 0.00 O ATOM 556 CB LEU A 38 14.712 9.628 -0.287 1.00 0.00 C ATOM 557 CG LEU A 38 14.160 11.053 -0.716 1.00 0.00 C ATOM 558 CD1 LEU A 38 13.430 11.804 0.435 1.00 0.00 C ATOM 559 CD2 LEU A 38 15.288 11.936 -1.302 1.00 0.00 C ATOM 0 H LEU A 38 13.571 8.814 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 38 14.311 7.538 0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 38 15.083 9.715 0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.571 9.406 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 38 13.416 10.863 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.078 12.770 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.580 11.212 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.120 11.956 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.880 12.906 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.067 12.076 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.713 11.449 -2.180 1.00 0.00 H new ATOM 571 N ASP A 39 11.465 9.198 -0.053 1.00 0.00 N ATOM 572 CA ASP A 39 10.158 9.412 0.605 1.00 0.00 C ATOM 573 C ASP A 39 9.461 8.081 0.817 1.00 0.00 C ATOM 574 O ASP A 39 8.895 7.832 1.880 1.00 0.00 O ATOM 575 CB ASP A 39 9.230 10.310 -0.254 1.00 0.00 C ATOM 576 CG ASP A 39 9.770 11.721 -0.460 1.00 0.00 C ATOM 577 OD1 ASP A 39 9.547 12.579 0.416 1.00 0.00 O ATOM 578 OD2 ASP A 39 10.402 11.990 -1.502 1.00 0.00 O ATOM 0 H ASP A 39 11.507 9.567 -1.003 1.00 0.00 H new ATOM 0 HA ASP A 39 10.351 9.904 1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.082 9.841 -1.227 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.252 10.370 0.223 1.00 0.00 H new ATOM 583 N PHE A 40 9.539 7.226 -0.223 1.00 0.00 N ATOM 584 CA PHE A 40 8.858 5.931 -0.246 1.00 0.00 C ATOM 585 C PHE A 40 9.431 4.986 0.833 1.00 0.00 C ATOM 586 O PHE A 40 8.716 4.120 1.326 1.00 0.00 O ATOM 587 CB PHE A 40 8.947 5.290 -1.658 1.00 0.00 C ATOM 588 CG PHE A 40 7.921 4.172 -1.880 1.00 0.00 C ATOM 589 CD1 PHE A 40 8.193 2.852 -1.508 1.00 0.00 C ATOM 590 CD2 PHE A 40 6.666 4.456 -2.421 1.00 0.00 C ATOM 591 CE1 PHE A 40 7.248 1.858 -1.681 1.00 0.00 C ATOM 592 CE2 PHE A 40 5.727 3.460 -2.589 1.00 0.00 C ATOM 593 CZ PHE A 40 6.017 2.164 -2.218 1.00 0.00 C ATOM 0 H PHE A 40 10.078 7.421 -1.067 1.00 0.00 H new ATOM 0 HA PHE A 40 7.805 6.095 -0.017 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.800 6.064 -2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.950 4.889 -1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.154 2.606 -1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.427 5.468 -2.712 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.475 0.842 -1.395 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.762 3.696 -3.012 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.278 1.388 -2.349 1.00 0.00 H new ATOM 603 N LEU A 41 10.722 5.165 1.186 1.00 0.00 N ATOM 604 CA LEU A 41 11.370 4.405 2.282 1.00 0.00 C ATOM 605 C LEU A 41 10.674 4.688 3.629 1.00 0.00 C ATOM 606 O LEU A 41 10.443 3.771 4.421 1.00 0.00 O ATOM 607 CB LEU A 41 12.879 4.754 2.390 1.00 0.00 C ATOM 608 CG LEU A 41 13.753 4.434 1.144 1.00 0.00 C ATOM 609 CD1 LEU A 41 15.242 4.732 1.408 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.548 2.984 0.678 1.00 0.00 C ATOM 0 H LEU A 41 11.341 5.833 0.726 1.00 0.00 H new ATOM 0 HA LEU A 41 11.274 3.345 2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.969 5.819 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 41 13.293 4.219 3.245 1.00 0.00 H new ATOM 0 HG LEU A 41 13.427 5.090 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.824 4.497 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.364 5.787 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.593 4.123 2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.172 2.791 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.825 2.301 1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.501 2.830 0.416 1.00 0.00 H new ATOM 622 N ASP A 42 10.347 5.974 3.851 1.00 0.00 N ATOM 623 CA ASP A 42 9.678 6.451 5.083 1.00 0.00 C ATOM 624 C ASP A 42 8.193 6.081 5.081 1.00 0.00 C ATOM 625 O ASP A 42 7.627 5.780 6.141 1.00 0.00 O ATOM 626 CB ASP A 42 9.842 7.977 5.246 1.00 0.00 C ATOM 627 CG ASP A 42 11.307 8.374 5.453 1.00 0.00 C ATOM 628 OD1 ASP A 42 11.827 8.199 6.576 1.00 0.00 O ATOM 629 OD2 ASP A 42 11.952 8.835 4.495 1.00 0.00 O ATOM 0 H ASP A 42 10.539 6.718 3.180 1.00 0.00 H new ATOM 0 HA ASP A 42 10.157 5.957 5.929 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.450 8.481 4.362 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.250 8.317 6.096 1.00 0.00 H new ATOM 634 N ILE A 43 7.575 6.108 3.882 1.00 0.00 N ATOM 635 CA ILE A 43 6.196 5.627 3.678 1.00 0.00 C ATOM 636 C ILE A 43 6.111 4.142 4.066 1.00 0.00 C ATOM 637 O ILE A 43 5.245 3.742 4.839 1.00 0.00 O ATOM 638 CB ILE A 43 5.730 5.798 2.177 1.00 0.00 C ATOM 639 CG1 ILE A 43 5.637 7.307 1.788 1.00 0.00 C ATOM 640 CG2 ILE A 43 4.390 5.064 1.896 1.00 0.00 C ATOM 641 CD1 ILE A 43 5.231 7.580 0.348 1.00 0.00 C ATOM 0 H ILE A 43 8.016 6.462 3.033 1.00 0.00 H new ATOM 0 HA ILE A 43 5.537 6.226 4.307 1.00 0.00 H new ATOM 0 HB ILE A 43 6.489 5.331 1.549 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.920 7.793 2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.605 7.773 1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.108 5.208 0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.510 3.999 2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.611 5.469 2.542 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.195 8.656 0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.959 7.130 -0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.247 7.150 0.160 1.00 0.00 H new ATOM 653 N ALA A 44 7.083 3.362 3.556 1.00 0.00 N ATOM 654 CA ALA A 44 7.125 1.901 3.697 1.00 0.00 C ATOM 655 C ALA A 44 7.510 1.505 5.134 1.00 0.00 C ATOM 656 O ALA A 44 7.127 0.442 5.605 1.00 0.00 O ATOM 657 CB ALA A 44 8.103 1.305 2.665 1.00 0.00 C ATOM 0 H ALA A 44 7.870 3.738 3.028 1.00 0.00 H new ATOM 0 HA ALA A 44 6.133 1.494 3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.131 0.221 2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.771 1.560 1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.100 1.712 2.832 1.00 0.00 H new ATOM 663 N PHE A 45 8.308 2.359 5.795 1.00 0.00 N ATOM 664 CA PHE A 45 8.629 2.234 7.231 1.00 0.00 C ATOM 665 C PHE A 45 7.356 2.367 8.093 1.00 0.00 C ATOM 666 O PHE A 45 7.146 1.595 9.034 1.00 0.00 O ATOM 667 CB PHE A 45 9.678 3.312 7.627 1.00 0.00 C ATOM 668 CG PHE A 45 10.112 3.277 9.098 1.00 0.00 C ATOM 669 CD1 PHE A 45 10.976 2.283 9.563 1.00 0.00 C ATOM 670 CD2 PHE A 45 9.650 4.223 10.018 1.00 0.00 C ATOM 671 CE1 PHE A 45 11.366 2.242 10.889 1.00 0.00 C ATOM 672 CE2 PHE A 45 10.044 4.178 11.345 1.00 0.00 C ATOM 673 CZ PHE A 45 10.899 3.186 11.780 1.00 0.00 C ATOM 0 H PHE A 45 8.752 3.161 5.348 1.00 0.00 H new ATOM 0 HA PHE A 45 9.050 1.245 7.413 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.560 3.188 6.999 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.267 4.297 7.407 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.345 1.535 8.877 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.976 5.000 9.689 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.039 1.468 11.228 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.681 4.920 12.040 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.202 3.149 12.816 1.00 0.00 H new ATOM 683 N ALA A 46 6.509 3.351 7.744 1.00 0.00 N ATOM 684 CA ALA A 46 5.243 3.610 8.455 1.00 0.00 C ATOM 685 C ALA A 46 4.199 2.516 8.147 1.00 0.00 C ATOM 686 O ALA A 46 3.374 2.184 8.999 1.00 0.00 O ATOM 687 CB ALA A 46 4.712 5.001 8.096 1.00 0.00 C ATOM 0 H ALA A 46 6.681 3.987 6.965 1.00 0.00 H new ATOM 0 HA ALA A 46 5.436 3.582 9.527 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.777 5.182 8.626 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.444 5.755 8.384 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.536 5.057 7.022 1.00 0.00 H new ATOM 693 N ILE A 47 4.261 1.959 6.924 1.00 0.00 N ATOM 694 CA ILE A 47 3.424 0.808 6.506 1.00 0.00 C ATOM 695 C ILE A 47 3.821 -0.454 7.291 1.00 0.00 C ATOM 696 O ILE A 47 2.963 -1.191 7.785 1.00 0.00 O ATOM 697 CB ILE A 47 3.567 0.542 4.955 1.00 0.00 C ATOM 698 CG1 ILE A 47 2.912 1.689 4.122 1.00 0.00 C ATOM 699 CG2 ILE A 47 2.990 -0.831 4.546 1.00 0.00 C ATOM 700 CD1 ILE A 47 3.124 1.595 2.615 1.00 0.00 C ATOM 0 H ILE A 47 4.891 2.291 6.194 1.00 0.00 H new ATOM 0 HA ILE A 47 2.383 1.050 6.722 1.00 0.00 H new ATOM 0 HB ILE A 47 4.634 0.525 4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.841 1.697 4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.309 2.643 4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.110 -0.971 3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.521 -1.621 5.076 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.931 -0.871 4.801 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.632 2.435 2.125 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.191 1.621 2.395 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.700 0.661 2.246 1.00 0.00 H new ATOM 712 N ASP A 48 5.138 -0.663 7.381 1.00 0.00 N ATOM 713 CA ASP A 48 5.766 -1.798 8.084 1.00 0.00 C ATOM 714 C ASP A 48 5.220 -1.905 9.523 1.00 0.00 C ATOM 715 O ASP A 48 4.770 -2.967 9.960 1.00 0.00 O ATOM 716 CB ASP A 48 7.303 -1.570 8.088 1.00 0.00 C ATOM 717 CG ASP A 48 8.129 -2.730 8.659 1.00 0.00 C ATOM 718 OD1 ASP A 48 8.253 -2.839 9.900 1.00 0.00 O ATOM 719 OD2 ASP A 48 8.676 -3.529 7.865 1.00 0.00 O ATOM 0 H ASP A 48 5.819 -0.033 6.957 1.00 0.00 H new ATOM 0 HA ASP A 48 5.534 -2.734 7.577 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.630 -1.380 7.066 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.520 -0.671 8.664 1.00 0.00 H new ATOM 724 N LYS A 49 5.228 -0.760 10.219 1.00 0.00 N ATOM 725 CA LYS A 49 4.768 -0.651 11.611 1.00 0.00 C ATOM 726 C LYS A 49 3.229 -0.757 11.723 1.00 0.00 C ATOM 727 O LYS A 49 2.725 -1.545 12.528 1.00 0.00 O ATOM 728 CB LYS A 49 5.263 0.677 12.221 1.00 0.00 C ATOM 729 CG LYS A 49 6.801 0.842 12.212 1.00 0.00 C ATOM 730 CD LYS A 49 7.253 2.162 12.871 1.00 0.00 C ATOM 731 CE LYS A 49 6.875 2.237 14.368 1.00 0.00 C ATOM 732 NZ LYS A 49 7.032 3.602 14.927 1.00 0.00 N ATOM 0 H LYS A 49 5.556 0.124 9.829 1.00 0.00 H new ATOM 0 HA LYS A 49 5.189 -1.487 12.169 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.816 1.506 11.671 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.907 0.747 13.249 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.257 0.002 12.736 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.161 0.810 11.184 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.333 2.265 12.767 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.800 3.001 12.343 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.842 1.913 14.495 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.499 1.543 14.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.766 3.598 15.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.023 3.904 14.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.418 4.262 14.409 1.00 0.00 H new ATOM 746 N ALA A 50 2.498 0.028 10.898 1.00 0.00 N ATOM 747 CA ALA A 50 1.014 0.139 10.975 1.00 0.00 C ATOM 748 C ALA A 50 0.298 -1.199 10.693 1.00 0.00 C ATOM 749 O ALA A 50 -0.688 -1.535 11.358 1.00 0.00 O ATOM 750 CB ALA A 50 0.503 1.222 10.007 1.00 0.00 C ATOM 0 H ALA A 50 2.913 0.601 10.163 1.00 0.00 H new ATOM 0 HA ALA A 50 0.776 0.422 12.000 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.583 1.289 10.077 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.944 2.183 10.271 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.786 0.961 8.987 1.00 0.00 H new ATOM 756 N PHE A 51 0.796 -1.941 9.697 1.00 0.00 N ATOM 757 CA PHE A 51 0.249 -3.259 9.313 1.00 0.00 C ATOM 758 C PHE A 51 0.912 -4.412 10.078 1.00 0.00 C ATOM 759 O PHE A 51 0.516 -5.569 9.891 1.00 0.00 O ATOM 760 CB PHE A 51 0.407 -3.466 7.794 1.00 0.00 C ATOM 761 CG PHE A 51 -0.491 -2.562 6.958 1.00 0.00 C ATOM 762 CD1 PHE A 51 -1.813 -2.921 6.698 1.00 0.00 C ATOM 763 CD2 PHE A 51 -0.016 -1.369 6.417 1.00 0.00 C ATOM 764 CE1 PHE A 51 -2.620 -2.120 5.923 1.00 0.00 C ATOM 765 CE2 PHE A 51 -0.827 -0.571 5.644 1.00 0.00 C ATOM 766 CZ PHE A 51 -2.123 -0.950 5.395 1.00 0.00 C ATOM 0 H PHE A 51 1.592 -1.649 9.130 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.808 -3.266 9.578 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.446 -3.288 7.518 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.187 -4.506 7.553 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.208 -3.838 7.110 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.003 -1.067 6.607 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.642 -2.409 5.729 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.445 0.352 5.234 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.756 -0.326 4.781 1.00 0.00 H new ATOM 776 N GLY A 52 1.928 -4.090 10.912 1.00 0.00 N ATOM 777 CA GLY A 52 2.578 -5.074 11.794 1.00 0.00 C ATOM 778 C GLY A 52 3.244 -6.211 11.031 1.00 0.00 C ATOM 779 O GLY A 52 3.079 -7.386 11.373 1.00 0.00 O ATOM 0 H GLY A 52 2.314 -3.149 10.989 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.325 -4.568 12.405 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.836 -5.488 12.476 1.00 0.00 H new ATOM 783 N ILE A 53 3.974 -5.836 9.981 1.00 0.00 N ATOM 784 CA ILE A 53 4.628 -6.766 9.042 1.00 0.00 C ATOM 785 C ILE A 53 6.071 -6.331 8.788 1.00 0.00 C ATOM 786 O ILE A 53 6.525 -5.332 9.345 1.00 0.00 O ATOM 787 CB ILE A 53 3.839 -6.821 7.682 1.00 0.00 C ATOM 788 CG1 ILE A 53 3.677 -5.396 7.054 1.00 0.00 C ATOM 789 CG2 ILE A 53 2.467 -7.493 7.882 1.00 0.00 C ATOM 790 CD1 ILE A 53 3.012 -5.385 5.694 1.00 0.00 C ATOM 0 H ILE A 53 4.135 -4.856 9.749 1.00 0.00 H new ATOM 0 HA ILE A 53 4.629 -7.761 9.487 1.00 0.00 H new ATOM 0 HB ILE A 53 4.420 -7.422 6.982 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.094 -4.776 7.735 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.661 -4.936 6.968 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.934 -7.523 6.931 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.610 -8.509 8.250 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.885 -6.923 8.606 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.940 -4.359 5.333 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.604 -5.975 4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.013 -5.813 5.774 1.00 0.00 H new ATOM 802 N LYS A 54 6.781 -7.101 7.951 1.00 0.00 N ATOM 803 CA LYS A 54 8.119 -6.752 7.469 1.00 0.00 C ATOM 804 C LYS A 54 8.058 -6.719 5.938 1.00 0.00 C ATOM 805 O LYS A 54 7.849 -7.756 5.297 1.00 0.00 O ATOM 806 CB LYS A 54 9.190 -7.770 7.996 1.00 0.00 C ATOM 807 CG LYS A 54 10.671 -7.269 7.999 1.00 0.00 C ATOM 808 CD LYS A 54 11.311 -7.090 6.594 1.00 0.00 C ATOM 809 CE LYS A 54 11.422 -8.407 5.807 1.00 0.00 C ATOM 810 NZ LYS A 54 12.265 -9.414 6.510 1.00 0.00 N ATOM 0 H LYS A 54 6.437 -7.990 7.588 1.00 0.00 H new ATOM 0 HA LYS A 54 8.424 -5.776 7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.922 -8.054 9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.134 -8.673 7.388 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.714 -6.315 8.525 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.275 -7.975 8.569 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.717 -6.380 6.019 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.305 -6.657 6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.425 -8.818 5.648 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.845 -8.205 4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.423 -10.231 5.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.180 -8.987 6.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.781 -9.728 7.375 1.00 0.00 H new ATOM 824 N LEU A 55 8.226 -5.520 5.361 1.00 0.00 N ATOM 825 CA LEU A 55 8.275 -5.338 3.905 1.00 0.00 C ATOM 826 C LEU A 55 9.665 -5.738 3.358 1.00 0.00 C ATOM 827 O LEU A 55 10.676 -5.226 3.849 1.00 0.00 O ATOM 828 CB LEU A 55 7.977 -3.863 3.525 1.00 0.00 C ATOM 829 CG LEU A 55 6.575 -3.304 3.935 1.00 0.00 C ATOM 830 CD1 LEU A 55 6.404 -1.849 3.464 1.00 0.00 C ATOM 831 CD2 LEU A 55 5.430 -4.187 3.389 1.00 0.00 C ATOM 0 H LEU A 55 8.331 -4.654 5.889 1.00 0.00 H new ATOM 0 HA LEU A 55 7.514 -5.980 3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.741 -3.233 3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.082 -3.762 2.445 1.00 0.00 H new ATOM 0 HG LEU A 55 6.522 -3.324 5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.421 -1.483 3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.175 -1.227 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.494 -1.805 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.471 -3.768 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.483 -4.219 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.528 -5.197 3.787 1.00 0.00 H new ATOM 843 N PRO A 56 9.743 -6.667 2.343 1.00 0.00 N ATOM 844 CA PRO A 56 10.972 -6.903 1.553 1.00 0.00 C ATOM 845 C PRO A 56 11.137 -5.810 0.473 1.00 0.00 C ATOM 846 O PRO A 56 11.289 -6.108 -0.716 1.00 0.00 O ATOM 847 CB PRO A 56 10.752 -8.322 0.933 1.00 0.00 C ATOM 848 CG PRO A 56 9.448 -8.816 1.503 1.00 0.00 C ATOM 849 CD PRO A 56 8.673 -7.589 1.913 1.00 0.00 C ATOM 0 HA PRO A 56 11.885 -6.860 2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 56 10.710 -8.272 -0.155 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.571 -8.993 1.190 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.895 -9.396 0.764 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.620 -9.470 2.357 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.092 -7.180 1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.972 -7.802 2.720 1.00 0.00 H new ATOM 857 N LEU A 57 11.126 -4.542 0.936 1.00 0.00 N ATOM 858 CA LEU A 57 11.192 -3.335 0.092 1.00 0.00 C ATOM 859 C LEU A 57 12.492 -3.349 -0.726 1.00 0.00 C ATOM 860 O LEU A 57 12.489 -2.989 -1.909 1.00 0.00 O ATOM 861 CB LEU A 57 11.081 -2.058 1.006 1.00 0.00 C ATOM 862 CG LEU A 57 10.918 -0.636 0.334 1.00 0.00 C ATOM 863 CD1 LEU A 57 12.225 -0.105 -0.288 1.00 0.00 C ATOM 864 CD2 LEU A 57 9.773 -0.629 -0.693 1.00 0.00 C ATOM 0 H LEU A 57 11.070 -4.327 1.931 1.00 0.00 H new ATOM 0 HA LEU A 57 10.361 -3.316 -0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.231 -2.205 1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.973 -2.024 1.631 1.00 0.00 H new ATOM 0 HG LEU A 57 10.660 0.051 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.045 0.874 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.987 -0.018 0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.568 -0.796 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.688 0.363 -1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.981 -1.359 -1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.837 -0.886 -0.196 1.00 0.00 H new ATOM 876 N GLU A 58 13.584 -3.786 -0.069 1.00 0.00 N ATOM 877 CA GLU A 58 14.908 -3.914 -0.695 1.00 0.00 C ATOM 878 C GLU A 58 14.869 -4.830 -1.938 1.00 0.00 C ATOM 879 O GLU A 58 15.440 -4.490 -2.972 1.00 0.00 O ATOM 880 CB GLU A 58 15.955 -4.431 0.331 1.00 0.00 C ATOM 881 CG GLU A 58 15.643 -5.809 0.943 1.00 0.00 C ATOM 882 CD GLU A 58 16.812 -6.380 1.756 1.00 0.00 C ATOM 883 OE1 GLU A 58 17.670 -7.077 1.170 1.00 0.00 O ATOM 884 OE2 GLU A 58 16.893 -6.129 2.973 1.00 0.00 O ATOM 0 H GLU A 58 13.569 -4.060 0.913 1.00 0.00 H new ATOM 0 HA GLU A 58 15.207 -2.920 -1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 58 16.928 -4.480 -0.159 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.041 -3.703 1.138 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.767 -5.725 1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.388 -6.506 0.145 1.00 0.00 H new ATOM 891 N LYS A 59 14.131 -5.954 -1.837 1.00 0.00 N ATOM 892 CA LYS A 59 14.007 -6.938 -2.928 1.00 0.00 C ATOM 893 C LYS A 59 13.269 -6.314 -4.121 1.00 0.00 C ATOM 894 O LYS A 59 13.685 -6.470 -5.265 1.00 0.00 O ATOM 895 CB LYS A 59 13.258 -8.209 -2.433 1.00 0.00 C ATOM 896 CG LYS A 59 13.088 -9.335 -3.487 1.00 0.00 C ATOM 897 CD LYS A 59 14.425 -9.955 -3.964 1.00 0.00 C ATOM 898 CE LYS A 59 15.151 -10.745 -2.856 1.00 0.00 C ATOM 899 NZ LYS A 59 16.487 -11.212 -3.292 1.00 0.00 N ATOM 0 H LYS A 59 13.606 -6.203 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 59 15.007 -7.231 -3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.795 -8.615 -1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.270 -7.913 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.464 -10.123 -3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.556 -8.934 -4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.232 -10.617 -4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.079 -9.161 -4.325 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.258 -10.116 -1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.544 -11.603 -2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.940 -11.738 -2.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.384 -11.833 -4.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.076 -10.393 -3.545 1.00 0.00 H new ATOM 913 N TRP A 60 12.184 -5.579 -3.808 1.00 0.00 N ATOM 914 CA TRP A 60 11.317 -4.926 -4.810 1.00 0.00 C ATOM 915 C TRP A 60 12.121 -3.906 -5.642 1.00 0.00 C ATOM 916 O TRP A 60 12.115 -3.948 -6.883 1.00 0.00 O ATOM 917 CB TRP A 60 10.121 -4.217 -4.112 1.00 0.00 C ATOM 918 CG TRP A 60 9.281 -5.109 -3.216 1.00 0.00 C ATOM 919 CD1 TRP A 60 9.235 -6.480 -3.188 1.00 0.00 C ATOM 920 CD2 TRP A 60 8.344 -4.671 -2.227 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.364 -6.906 -2.223 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.796 -5.820 -1.630 1.00 0.00 C ATOM 923 CE3 TRP A 60 7.918 -3.422 -1.787 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.867 -5.751 -0.610 1.00 0.00 C ATOM 925 CZ3 TRP A 60 6.983 -3.356 -0.775 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.462 -4.516 -0.199 1.00 0.00 C ATOM 0 H TRP A 60 11.882 -5.420 -2.847 1.00 0.00 H new ATOM 0 HA TRP A 60 10.930 -5.695 -5.479 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.506 -3.389 -3.517 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.476 -3.786 -4.878 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.805 -7.130 -3.835 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.171 -7.879 -1.986 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.313 -2.520 -2.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.474 -6.647 -0.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.649 -2.391 -0.423 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.725 -4.433 0.586 1.00 0.00 H new ATOM 937 N THR A 61 12.847 -3.039 -4.915 1.00 0.00 N ATOM 938 CA THR A 61 13.680 -1.968 -5.486 1.00 0.00 C ATOM 939 C THR A 61 14.792 -2.549 -6.392 1.00 0.00 C ATOM 940 O THR A 61 15.011 -2.065 -7.512 1.00 0.00 O ATOM 941 CB THR A 61 14.310 -1.105 -4.332 1.00 0.00 C ATOM 942 OG1 THR A 61 13.261 -0.565 -3.504 1.00 0.00 O ATOM 943 CG2 THR A 61 15.194 0.054 -4.857 1.00 0.00 C ATOM 0 H THR A 61 12.871 -3.064 -3.896 1.00 0.00 H new ATOM 0 HA THR A 61 13.045 -1.331 -6.102 1.00 0.00 H new ATOM 0 HB THR A 61 14.955 -1.769 -3.756 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.814 -1.294 -3.026 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.600 0.613 -4.014 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.013 -0.353 -5.451 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.592 0.719 -5.477 1.00 0.00 H new ATOM 951 N GLN A 62 15.445 -3.628 -5.912 1.00 0.00 N ATOM 952 CA GLN A 62 16.589 -4.248 -6.609 1.00 0.00 C ATOM 953 C GLN A 62 16.150 -4.970 -7.897 1.00 0.00 C ATOM 954 O GLN A 62 16.839 -4.864 -8.902 1.00 0.00 O ATOM 955 CB GLN A 62 17.362 -5.209 -5.668 1.00 0.00 C ATOM 956 CG GLN A 62 18.134 -4.492 -4.541 1.00 0.00 C ATOM 957 CD GLN A 62 18.906 -5.447 -3.634 1.00 0.00 C ATOM 958 OE1 GLN A 62 18.378 -5.927 -2.631 1.00 0.00 O ATOM 959 NE2 GLN A 62 20.157 -5.738 -3.973 1.00 0.00 N ATOM 0 H GLN A 62 15.196 -4.090 -5.037 1.00 0.00 H new ATOM 0 HA GLN A 62 17.265 -3.444 -6.901 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.657 -5.911 -5.223 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.064 -5.795 -6.260 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.831 -3.780 -4.984 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.431 -3.917 -3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.568 -5.325 -4.810 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.707 -6.375 -3.396 1.00 0.00 H new ATOM 968 N GLU A 63 14.997 -5.676 -7.862 1.00 0.00 N ATOM 969 CA GLU A 63 14.445 -6.386 -9.049 1.00 0.00 C ATOM 970 C GLU A 63 14.148 -5.408 -10.203 1.00 0.00 C ATOM 971 O GLU A 63 14.392 -5.726 -11.372 1.00 0.00 O ATOM 972 CB GLU A 63 13.162 -7.177 -8.682 1.00 0.00 C ATOM 973 CG GLU A 63 13.384 -8.394 -7.754 1.00 0.00 C ATOM 974 CD GLU A 63 14.231 -9.506 -8.390 1.00 0.00 C ATOM 975 OE1 GLU A 63 13.695 -10.271 -9.223 1.00 0.00 O ATOM 976 OE2 GLU A 63 15.428 -9.610 -8.080 1.00 0.00 O ATOM 0 H GLU A 63 14.425 -5.772 -7.023 1.00 0.00 H new ATOM 0 HA GLU A 63 15.206 -7.091 -9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.460 -6.496 -8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.691 -7.523 -9.602 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.870 -8.058 -6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.415 -8.805 -7.469 1.00 0.00 H new ATOM 983 N VAL A 64 13.621 -4.222 -9.852 1.00 0.00 N ATOM 984 CA VAL A 64 13.412 -3.122 -10.817 1.00 0.00 C ATOM 985 C VAL A 64 14.751 -2.730 -11.485 1.00 0.00 C ATOM 986 O VAL A 64 14.853 -2.655 -12.720 1.00 0.00 O ATOM 987 CB VAL A 64 12.754 -1.867 -10.127 1.00 0.00 C ATOM 988 CG1 VAL A 64 12.635 -0.676 -11.114 1.00 0.00 C ATOM 989 CG2 VAL A 64 11.367 -2.241 -9.534 1.00 0.00 C ATOM 0 H VAL A 64 13.329 -3.997 -8.901 1.00 0.00 H new ATOM 0 HA VAL A 64 12.725 -3.478 -11.585 1.00 0.00 H new ATOM 0 HB VAL A 64 13.404 -1.550 -9.311 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.177 0.173 -10.606 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.627 -0.396 -11.467 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.017 -0.967 -11.963 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.925 -1.364 -9.061 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.712 -2.591 -10.332 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.489 -3.030 -8.792 1.00 0.00 H new ATOM 999 N ASN A 65 15.774 -2.533 -10.639 1.00 0.00 N ATOM 1000 CA ASN A 65 17.133 -2.132 -11.060 1.00 0.00 C ATOM 1001 C ASN A 65 17.851 -3.223 -11.880 1.00 0.00 C ATOM 1002 O ASN A 65 18.699 -2.902 -12.718 1.00 0.00 O ATOM 1003 CB ASN A 65 17.964 -1.742 -9.810 1.00 0.00 C ATOM 1004 CG ASN A 65 17.403 -0.507 -9.092 1.00 0.00 C ATOM 1005 OD1 ASN A 65 16.938 0.435 -9.729 1.00 0.00 O ATOM 1006 ND2 ASN A 65 17.400 -0.525 -7.773 1.00 0.00 N ATOM 0 H ASN A 65 15.683 -2.648 -9.630 1.00 0.00 H new ATOM 0 HA ASN A 65 17.036 -1.271 -11.722 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.987 -2.582 -9.116 1.00 0.00 H new ATOM 0 HB3 ASN A 65 18.994 -1.548 -10.109 1.00 0.00 H new ATOM 0 HD21 ASN A 65 17.004 0.258 -7.253 1.00 0.00 H new ATOM 0 HD22 ASN A 65 17.794 -1.322 -7.273 1.00 0.00 H new ATOM 1013 N ASP A 66 17.520 -4.507 -11.642 1.00 0.00 N ATOM 1014 CA ASP A 66 18.085 -5.646 -12.406 1.00 0.00 C ATOM 1015 C ASP A 66 17.380 -5.855 -13.758 1.00 0.00 C ATOM 1016 O ASP A 66 17.794 -6.721 -14.536 1.00 0.00 O ATOM 1017 CB ASP A 66 17.989 -6.958 -11.574 1.00 0.00 C ATOM 1018 CG ASP A 66 18.882 -6.973 -10.325 1.00 0.00 C ATOM 1019 OD1 ASP A 66 20.100 -6.737 -10.456 1.00 0.00 O ATOM 1020 OD2 ASP A 66 18.381 -7.250 -9.212 1.00 0.00 O ATOM 0 H ASP A 66 16.857 -4.787 -10.919 1.00 0.00 H new ATOM 0 HA ASP A 66 19.129 -5.402 -12.604 1.00 0.00 H new ATOM 0 HB2 ASP A 66 16.953 -7.108 -11.269 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.259 -7.800 -12.211 1.00 0.00 H new ATOM 1025 N GLY A 67 16.329 -5.057 -14.042 1.00 0.00 N ATOM 1026 CA GLY A 67 15.488 -5.266 -15.228 1.00 0.00 C ATOM 1027 C GLY A 67 14.663 -6.550 -15.166 1.00 0.00 C ATOM 1028 O GLY A 67 14.246 -7.081 -16.196 1.00 0.00 O ATOM 0 H GLY A 67 16.047 -4.265 -13.464 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.816 -4.416 -15.342 1.00 0.00 H new ATOM 0 HA3 GLY A 67 16.122 -5.292 -16.114 1.00 0.00 H new ATOM 1032 N LYS A 68 14.456 -7.061 -13.943 1.00 0.00 N ATOM 1033 CA LYS A 68 13.591 -8.223 -13.678 1.00 0.00 C ATOM 1034 C LYS A 68 12.121 -7.797 -13.666 1.00 0.00 C ATOM 1035 O LYS A 68 11.228 -8.605 -13.931 1.00 0.00 O ATOM 1036 CB LYS A 68 13.974 -8.866 -12.321 1.00 0.00 C ATOM 1037 CG LYS A 68 15.346 -9.581 -12.308 1.00 0.00 C ATOM 1038 CD LYS A 68 15.405 -10.768 -13.298 1.00 0.00 C ATOM 1039 CE LYS A 68 14.309 -11.816 -13.025 1.00 0.00 C ATOM 1040 NZ LYS A 68 14.294 -12.889 -14.033 1.00 0.00 N ATOM 0 H LYS A 68 14.887 -6.677 -13.102 1.00 0.00 H new ATOM 0 HA LYS A 68 13.733 -8.958 -14.470 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.977 -8.091 -11.555 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.203 -9.585 -12.044 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.128 -8.864 -12.558 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.555 -9.942 -11.301 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.300 -10.394 -14.316 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.383 -11.244 -13.232 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.464 -12.251 -12.038 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.336 -11.324 -13.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.540 -13.568 -13.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.119 -12.480 -14.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.212 -13.378 -14.033 1.00 0.00 H new ATOM 1054 N ALA A 69 11.901 -6.518 -13.350 1.00 0.00 N ATOM 1055 CA ALA A 69 10.579 -5.900 -13.296 1.00 0.00 C ATOM 1056 C ALA A 69 10.720 -4.399 -13.557 1.00 0.00 C ATOM 1057 O ALA A 69 11.840 -3.881 -13.602 1.00 0.00 O ATOM 1058 CB ALA A 69 9.932 -6.153 -11.922 1.00 0.00 C ATOM 0 H ALA A 69 12.656 -5.871 -13.120 1.00 0.00 H new ATOM 0 HA ALA A 69 9.936 -6.338 -14.059 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.947 -5.688 -11.893 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.832 -7.226 -11.759 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.559 -5.724 -11.140 1.00 0.00 H new ATOM 1064 N THR A 70 9.586 -3.716 -13.723 1.00 0.00 N ATOM 1065 CA THR A 70 9.534 -2.244 -13.791 1.00 0.00 C ATOM 1066 C THR A 70 8.979 -1.718 -12.462 1.00 0.00 C ATOM 1067 O THR A 70 8.463 -2.515 -11.655 1.00 0.00 O ATOM 1068 CB THR A 70 8.667 -1.734 -14.995 1.00 0.00 C ATOM 1069 OG1 THR A 70 7.335 -2.249 -14.914 1.00 0.00 O ATOM 1070 CG2 THR A 70 9.277 -2.133 -16.350 1.00 0.00 C ATOM 0 H THR A 70 8.674 -4.163 -13.815 1.00 0.00 H new ATOM 0 HA THR A 70 10.542 -1.865 -13.958 1.00 0.00 H new ATOM 0 HB THR A 70 8.646 -0.646 -14.930 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.810 -1.918 -15.672 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.646 -1.761 -17.157 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.274 -1.702 -16.441 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.344 -3.219 -16.413 1.00 0.00 H new ATOM 1078 N THR A 71 9.084 -0.397 -12.231 1.00 0.00 N ATOM 1079 CA THR A 71 8.648 0.221 -10.971 1.00 0.00 C ATOM 1080 C THR A 71 7.166 -0.079 -10.666 1.00 0.00 C ATOM 1081 O THR A 71 6.844 -0.448 -9.545 1.00 0.00 O ATOM 1082 CB THR A 71 8.882 1.768 -10.945 1.00 0.00 C ATOM 1083 OG1 THR A 71 8.270 2.381 -12.086 1.00 0.00 O ATOM 1084 CG2 THR A 71 10.373 2.138 -10.908 1.00 0.00 C ATOM 0 H THR A 71 9.469 0.264 -12.906 1.00 0.00 H new ATOM 0 HA THR A 71 9.268 -0.229 -10.196 1.00 0.00 H new ATOM 0 HB THR A 71 8.425 2.140 -10.028 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.421 3.349 -12.058 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.478 3.223 -10.891 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.831 1.715 -10.014 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.869 1.739 -11.793 1.00 0.00 H new ATOM 1092 N GLU A 72 6.299 -0.014 -11.704 1.00 0.00 N ATOM 1093 CA GLU A 72 4.831 -0.186 -11.557 1.00 0.00 C ATOM 1094 C GLU A 72 4.428 -1.456 -10.784 1.00 0.00 C ATOM 1095 O GLU A 72 3.556 -1.392 -9.906 1.00 0.00 O ATOM 1096 CB GLU A 72 4.133 -0.141 -12.945 1.00 0.00 C ATOM 1097 CG GLU A 72 4.466 -1.309 -13.888 1.00 0.00 C ATOM 1098 CD GLU A 72 3.911 -1.126 -15.308 1.00 0.00 C ATOM 1099 OE1 GLU A 72 2.689 -1.300 -15.511 1.00 0.00 O ATOM 1100 OE2 GLU A 72 4.686 -0.781 -16.225 1.00 0.00 O ATOM 0 H GLU A 72 6.595 0.159 -12.665 1.00 0.00 H new ATOM 0 HA GLU A 72 4.488 0.653 -10.952 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.054 -0.117 -12.790 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.404 0.792 -13.439 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.548 -1.425 -13.942 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.067 -2.231 -13.466 1.00 0.00 H new ATOM 1107 N GLN A 73 5.131 -2.572 -11.056 1.00 0.00 N ATOM 1108 CA GLN A 73 4.807 -3.896 -10.497 1.00 0.00 C ATOM 1109 C GLN A 73 4.798 -3.907 -8.948 1.00 0.00 C ATOM 1110 O GLN A 73 4.074 -4.693 -8.337 1.00 0.00 O ATOM 1111 CB GLN A 73 5.795 -4.963 -11.053 1.00 0.00 C ATOM 1112 CG GLN A 73 5.436 -6.412 -10.673 1.00 0.00 C ATOM 1113 CD GLN A 73 6.330 -7.467 -11.312 1.00 0.00 C ATOM 1114 OE1 GLN A 73 6.053 -7.960 -12.404 1.00 0.00 O ATOM 1115 NE2 GLN A 73 7.400 -7.835 -10.631 1.00 0.00 N ATOM 0 H GLN A 73 5.943 -2.579 -11.673 1.00 0.00 H new ATOM 0 HA GLN A 73 3.793 -4.142 -10.812 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.827 -4.881 -12.139 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.797 -4.740 -10.687 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.490 -6.515 -9.589 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.403 -6.605 -10.961 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.602 -7.407 -9.728 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.025 -8.548 -11.008 1.00 0.00 H new ATOM 1124 N TYR A 74 5.600 -3.030 -8.324 1.00 0.00 N ATOM 1125 CA TYR A 74 5.657 -2.905 -6.848 1.00 0.00 C ATOM 1126 C TYR A 74 5.142 -1.540 -6.363 1.00 0.00 C ATOM 1127 O TYR A 74 4.592 -1.434 -5.265 1.00 0.00 O ATOM 1128 CB TYR A 74 7.112 -3.114 -6.367 1.00 0.00 C ATOM 1129 CG TYR A 74 7.732 -4.423 -6.865 1.00 0.00 C ATOM 1130 CD1 TYR A 74 7.311 -5.655 -6.359 1.00 0.00 C ATOM 1131 CD2 TYR A 74 8.728 -4.424 -7.845 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.864 -6.833 -6.809 1.00 0.00 C ATOM 1133 CE2 TYR A 74 9.280 -5.602 -8.295 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.849 -6.801 -7.775 1.00 0.00 C ATOM 1135 OH TYR A 74 9.404 -7.978 -8.221 1.00 0.00 O ATOM 0 H TYR A 74 6.224 -2.391 -8.817 1.00 0.00 H new ATOM 0 HA TYR A 74 5.007 -3.671 -6.425 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.723 -2.278 -6.707 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.133 -3.102 -5.277 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.540 -5.684 -5.603 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.070 -3.486 -8.256 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.528 -7.778 -6.408 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.049 -5.585 -9.053 1.00 0.00 H new ATOM 0 HH TYR A 74 10.082 -7.783 -8.901 1.00 0.00 H new ATOM 1145 N PHE A 75 5.303 -0.503 -7.200 1.00 0.00 N ATOM 1146 CA PHE A 75 5.147 0.906 -6.792 1.00 0.00 C ATOM 1147 C PHE A 75 3.891 1.538 -7.439 1.00 0.00 C ATOM 1148 O PHE A 75 3.819 2.751 -7.613 1.00 0.00 O ATOM 1149 CB PHE A 75 6.446 1.690 -7.159 1.00 0.00 C ATOM 1150 CG PHE A 75 7.735 1.132 -6.508 1.00 0.00 C ATOM 1151 CD1 PHE A 75 7.981 1.305 -5.149 1.00 0.00 C ATOM 1152 CD2 PHE A 75 8.693 0.427 -7.249 1.00 0.00 C ATOM 1153 CE1 PHE A 75 9.130 0.801 -4.557 1.00 0.00 C ATOM 1154 CE2 PHE A 75 9.841 -0.073 -6.655 1.00 0.00 C ATOM 1155 CZ PHE A 75 10.056 0.112 -5.307 1.00 0.00 C ATOM 0 H PHE A 75 5.546 -0.617 -8.184 1.00 0.00 H new ATOM 0 HA PHE A 75 5.000 0.958 -5.713 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.567 1.681 -8.242 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.324 2.731 -6.860 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.264 1.841 -4.544 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.533 0.270 -8.306 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.299 0.950 -3.501 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.567 -0.608 -7.249 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.947 -0.282 -4.841 1.00 0.00 H new ATOM 1165 N VAL A 76 2.906 0.689 -7.798 1.00 0.00 N ATOM 1166 CA VAL A 76 1.507 1.114 -8.042 1.00 0.00 C ATOM 1167 C VAL A 76 0.692 0.668 -6.827 1.00 0.00 C ATOM 1168 O VAL A 76 0.916 -0.420 -6.322 1.00 0.00 O ATOM 1169 CB VAL A 76 0.890 0.515 -9.374 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.647 0.709 -9.464 1.00 0.00 C ATOM 1171 CG2 VAL A 76 1.554 1.130 -10.622 1.00 0.00 C ATOM 0 H VAL A 76 3.056 -0.312 -7.928 1.00 0.00 H new ATOM 0 HA VAL A 76 1.482 2.195 -8.176 1.00 0.00 H new ATOM 0 HB VAL A 76 1.093 -0.556 -9.341 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.014 0.280 -10.396 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.127 0.211 -8.621 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.882 1.773 -9.438 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.110 0.700 -11.520 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.399 2.209 -10.622 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.623 0.917 -10.608 1.00 0.00 H new ATOM 1181 N LEU A 77 -0.255 1.510 -6.402 1.00 0.00 N ATOM 1182 CA LEU A 77 -1.008 1.377 -5.134 1.00 0.00 C ATOM 1183 C LEU A 77 -1.716 0.015 -4.946 1.00 0.00 C ATOM 1184 O LEU A 77 -1.737 -0.502 -3.831 1.00 0.00 O ATOM 1185 CB LEU A 77 -2.024 2.550 -5.006 1.00 0.00 C ATOM 1186 CG LEU A 77 -1.488 3.849 -4.335 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -1.121 3.580 -2.860 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -0.310 4.468 -5.119 1.00 0.00 C ATOM 0 H LEU A 77 -0.533 2.330 -6.941 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.270 1.423 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.384 2.802 -6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.884 2.199 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.288 4.589 -4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.748 4.497 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.006 3.241 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.350 2.811 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.029 5.371 -4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.510 3.751 -5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.636 4.719 -6.128 1.00 0.00 H new ATOM 1200 N LYS A 78 -2.299 -0.535 -6.022 1.00 0.00 N ATOM 1201 CA LYS A 78 -2.971 -1.865 -5.981 1.00 0.00 C ATOM 1202 C LYS A 78 -1.951 -2.985 -5.674 1.00 0.00 C ATOM 1203 O LYS A 78 -2.217 -3.885 -4.870 1.00 0.00 O ATOM 1204 CB LYS A 78 -3.703 -2.167 -7.324 1.00 0.00 C ATOM 1205 CG LYS A 78 -2.782 -2.124 -8.565 1.00 0.00 C ATOM 1206 CD LYS A 78 -3.480 -2.494 -9.886 1.00 0.00 C ATOM 1207 CE LYS A 78 -2.510 -2.465 -11.086 1.00 0.00 C ATOM 1208 NZ LYS A 78 -3.175 -2.881 -12.343 1.00 0.00 N ATOM 0 H LYS A 78 -2.324 -0.087 -6.938 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.713 -1.835 -5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.165 -3.152 -7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.509 -1.445 -7.457 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.363 -1.122 -8.657 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.946 -2.805 -8.406 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.917 -3.489 -9.798 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.301 -1.800 -10.068 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.108 -1.459 -11.204 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.665 -3.125 -10.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.490 -2.848 -13.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.537 -3.851 -12.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.965 -2.237 -12.547 1.00 0.00 H new ATOM 1222 N ASN A 79 -0.778 -2.884 -6.316 1.00 0.00 N ATOM 1223 CA ASN A 79 0.290 -3.894 -6.261 1.00 0.00 C ATOM 1224 C ASN A 79 1.017 -3.819 -4.919 1.00 0.00 C ATOM 1225 O ASN A 79 1.343 -4.840 -4.328 1.00 0.00 O ATOM 1226 CB ASN A 79 1.287 -3.661 -7.424 1.00 0.00 C ATOM 1227 CG ASN A 79 0.641 -3.755 -8.811 1.00 0.00 C ATOM 1228 OD1 ASN A 79 -0.278 -4.543 -9.037 1.00 0.00 O ATOM 1229 ND2 ASN A 79 1.106 -2.938 -9.743 1.00 0.00 N ATOM 0 H ASN A 79 -0.540 -2.082 -6.900 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.150 -4.886 -6.362 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.743 -2.677 -7.310 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.091 -4.394 -7.356 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.702 -2.950 -10.679 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.868 -2.297 -9.525 1.00 0.00 H new ATOM 1236 N LEU A 80 1.242 -2.580 -4.464 1.00 0.00 N ATOM 1237 CA LEU A 80 1.838 -2.271 -3.161 1.00 0.00 C ATOM 1238 C LEU A 80 0.945 -2.830 -2.045 1.00 0.00 C ATOM 1239 O LEU A 80 1.396 -3.621 -1.227 1.00 0.00 O ATOM 1240 CB LEU A 80 2.013 -0.731 -3.013 1.00 0.00 C ATOM 1241 CG LEU A 80 2.602 -0.230 -1.654 1.00 0.00 C ATOM 1242 CD1 LEU A 80 4.022 -0.804 -1.397 1.00 0.00 C ATOM 1243 CD2 LEU A 80 2.578 1.316 -1.567 1.00 0.00 C ATOM 0 H LEU A 80 1.009 -1.747 -5.005 1.00 0.00 H new ATOM 0 HA LEU A 80 2.821 -2.736 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.661 -0.381 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.041 -0.260 -3.159 1.00 0.00 H new ATOM 0 HG LEU A 80 1.960 -0.609 -0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.397 -0.433 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.975 -1.893 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.692 -0.490 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.994 1.633 -0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.173 1.735 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.550 1.669 -1.651 1.00 0.00 H new ATOM 1255 N ALA A 81 -0.349 -2.461 -2.087 1.00 0.00 N ATOM 1256 CA ALA A 81 -1.365 -2.919 -1.110 1.00 0.00 C ATOM 1257 C ALA A 81 -1.556 -4.449 -1.148 1.00 0.00 C ATOM 1258 O ALA A 81 -1.935 -5.042 -0.145 1.00 0.00 O ATOM 1259 CB ALA A 81 -2.702 -2.210 -1.353 1.00 0.00 C ATOM 0 H ALA A 81 -0.724 -1.835 -2.800 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.999 -2.659 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.436 -2.559 -0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.568 -1.134 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.054 -2.433 -2.360 1.00 0.00 H new ATOM 1265 N ALA A 82 -1.290 -5.065 -2.313 1.00 0.00 N ATOM 1266 CA ALA A 82 -1.315 -6.535 -2.471 1.00 0.00 C ATOM 1267 C ALA A 82 -0.152 -7.178 -1.695 1.00 0.00 C ATOM 1268 O ALA A 82 -0.365 -8.130 -0.939 1.00 0.00 O ATOM 1269 CB ALA A 82 -1.247 -6.915 -3.955 1.00 0.00 C ATOM 0 H ALA A 82 -1.053 -4.564 -3.169 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.252 -6.912 -2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.266 -8.000 -4.054 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.102 -6.488 -4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.325 -6.528 -4.388 1.00 0.00 H new ATOM 1275 N ARG A 83 1.065 -6.619 -1.899 1.00 0.00 N ATOM 1276 CA ARG A 83 2.311 -7.050 -1.212 1.00 0.00 C ATOM 1277 C ARG A 83 2.149 -6.967 0.318 1.00 0.00 C ATOM 1278 O ARG A 83 2.490 -7.891 1.050 1.00 0.00 O ATOM 1279 CB ARG A 83 3.507 -6.155 -1.648 1.00 0.00 C ATOM 1280 CG ARG A 83 3.887 -6.178 -3.154 1.00 0.00 C ATOM 1281 CD ARG A 83 4.744 -7.391 -3.578 1.00 0.00 C ATOM 1282 NE ARG A 83 4.005 -8.673 -3.602 1.00 0.00 N ATOM 1283 CZ ARG A 83 4.229 -9.663 -4.481 1.00 0.00 C ATOM 1284 NH1 ARG A 83 5.102 -9.506 -5.467 1.00 0.00 N ATOM 1285 NH2 ARG A 83 3.583 -10.805 -4.378 1.00 0.00 N ATOM 0 H ARG A 83 1.213 -5.849 -2.551 1.00 0.00 H new ATOM 0 HA ARG A 83 2.508 -8.084 -1.494 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.280 -5.126 -1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.383 -6.454 -1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.972 -6.170 -3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.430 -5.264 -3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.156 -7.203 -4.569 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.588 -7.483 -2.894 1.00 0.00 H new ATOM 0 HE ARG A 83 3.276 -8.814 -2.903 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.611 -8.627 -5.563 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.265 -10.264 -6.129 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.907 -10.943 -3.627 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.758 -11.553 -5.049 1.00 0.00 H new ATOM 1299 N ILE A 84 1.599 -5.846 0.764 1.00 0.00 N ATOM 1300 CA ILE A 84 1.347 -5.558 2.179 1.00 0.00 C ATOM 1301 C ILE A 84 0.320 -6.546 2.772 1.00 0.00 C ATOM 1302 O ILE A 84 0.594 -7.189 3.780 1.00 0.00 O ATOM 1303 CB ILE A 84 0.835 -4.082 2.303 1.00 0.00 C ATOM 1304 CG1 ILE A 84 1.931 -3.090 1.788 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.386 -3.732 3.737 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.443 -1.679 1.547 1.00 0.00 C ATOM 0 H ILE A 84 1.307 -5.092 0.143 1.00 0.00 H new ATOM 0 HA ILE A 84 2.271 -5.677 2.745 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.051 -3.984 1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.744 -3.060 2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.347 -3.480 0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.041 -2.699 3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.426 -4.395 4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.226 -3.855 4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.270 -1.064 1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.652 -1.691 0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.055 -1.264 2.477 1.00 0.00 H new ATOM 1318 N ASP A 85 -0.841 -6.664 2.104 1.00 0.00 N ATOM 1319 CA ASP A 85 -1.980 -7.499 2.558 1.00 0.00 C ATOM 1320 C ASP A 85 -1.600 -8.985 2.701 1.00 0.00 C ATOM 1321 O ASP A 85 -1.994 -9.638 3.669 1.00 0.00 O ATOM 1322 CB ASP A 85 -3.167 -7.349 1.575 1.00 0.00 C ATOM 1323 CG ASP A 85 -4.403 -8.185 1.961 1.00 0.00 C ATOM 1324 OD1 ASP A 85 -5.159 -7.761 2.860 1.00 0.00 O ATOM 1325 OD2 ASP A 85 -4.624 -9.270 1.373 1.00 0.00 O ATOM 0 H ASP A 85 -1.022 -6.180 1.225 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.269 -7.143 3.547 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.452 -6.298 1.522 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.840 -7.641 0.577 1.00 0.00 H new ATOM 1330 N GLU A 86 -0.825 -9.498 1.728 1.00 0.00 N ATOM 1331 CA GLU A 86 -0.390 -10.913 1.718 1.00 0.00 C ATOM 1332 C GLU A 86 0.617 -11.172 2.856 1.00 0.00 C ATOM 1333 O GLU A 86 0.682 -12.282 3.380 1.00 0.00 O ATOM 1334 CB GLU A 86 0.201 -11.313 0.340 1.00 0.00 C ATOM 1335 CG GLU A 86 1.501 -10.596 -0.034 1.00 0.00 C ATOM 1336 CD GLU A 86 1.983 -10.901 -1.457 1.00 0.00 C ATOM 1337 OE1 GLU A 86 1.435 -10.312 -2.413 1.00 0.00 O ATOM 1338 OE2 GLU A 86 2.901 -11.733 -1.626 1.00 0.00 O ATOM 0 H GLU A 86 -0.485 -8.954 0.935 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.266 -11.540 1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.381 -12.388 0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.543 -11.112 -0.431 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.355 -9.521 0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.280 -10.881 0.673 1.00 0.00 H new ATOM 1345 N LEU A 87 1.398 -10.133 3.226 1.00 0.00 N ATOM 1346 CA LEU A 87 2.285 -10.179 4.415 1.00 0.00 C ATOM 1347 C LEU A 87 1.476 -10.127 5.734 1.00 0.00 C ATOM 1348 O LEU A 87 1.863 -10.769 6.714 1.00 0.00 O ATOM 1349 CB LEU A 87 3.332 -9.038 4.368 1.00 0.00 C ATOM 1350 CG LEU A 87 4.382 -9.130 3.218 1.00 0.00 C ATOM 1351 CD1 LEU A 87 5.245 -7.860 3.156 1.00 0.00 C ATOM 1352 CD2 LEU A 87 5.260 -10.401 3.339 1.00 0.00 C ATOM 0 H LEU A 87 1.434 -9.249 2.718 1.00 0.00 H new ATOM 0 HA LEU A 87 2.814 -11.132 4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.804 -8.089 4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.863 -9.018 5.319 1.00 0.00 H new ATOM 0 HG LEU A 87 3.831 -9.209 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.968 -7.951 2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.607 -6.995 2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.773 -7.732 4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.978 -10.427 2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.794 -10.385 4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.626 -11.287 3.294 1.00 0.00 H new ATOM 1364 N VAL A 88 0.357 -9.358 5.754 1.00 0.00 N ATOM 1365 CA VAL A 88 -0.558 -9.276 6.931 1.00 0.00 C ATOM 1366 C VAL A 88 -1.221 -10.647 7.163 1.00 0.00 C ATOM 1367 O VAL A 88 -1.335 -11.125 8.297 1.00 0.00 O ATOM 1368 CB VAL A 88 -1.664 -8.149 6.758 1.00 0.00 C ATOM 1369 CG1 VAL A 88 -2.602 -8.082 7.997 1.00 0.00 C ATOM 1370 CG2 VAL A 88 -1.017 -6.764 6.498 1.00 0.00 C ATOM 0 H VAL A 88 0.062 -8.782 4.966 1.00 0.00 H new ATOM 0 HA VAL A 88 0.040 -9.002 7.800 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.265 -8.416 5.889 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.347 -7.301 7.847 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.103 -9.041 8.127 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.014 -7.856 8.887 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.799 -6.013 6.384 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.378 -6.497 7.340 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.419 -6.807 5.588 1.00 0.00 H new ATOM 1380 N ALA A 89 -1.609 -11.270 6.048 1.00 0.00 N ATOM 1381 CA ALA A 89 -2.187 -12.619 6.017 1.00 0.00 C ATOM 1382 C ALA A 89 -1.133 -13.677 6.404 1.00 0.00 C ATOM 1383 O ALA A 89 -1.450 -14.653 7.085 1.00 0.00 O ATOM 1384 CB ALA A 89 -2.769 -12.908 4.622 1.00 0.00 C ATOM 0 H ALA A 89 -1.530 -10.845 5.124 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.993 -12.671 6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.196 -13.911 4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.546 -12.179 4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.977 -12.839 3.876 1.00 0.00 H new ATOM 1390 N ALA A 90 0.120 -13.454 5.956 1.00 0.00 N ATOM 1391 CA ALA A 90 1.268 -14.332 6.273 1.00 0.00 C ATOM 1392 C ALA A 90 1.578 -14.337 7.782 1.00 0.00 C ATOM 1393 O ALA A 90 1.846 -15.394 8.366 1.00 0.00 O ATOM 1394 CB ALA A 90 2.516 -13.894 5.481 1.00 0.00 C ATOM 0 H ALA A 90 0.365 -12.660 5.364 1.00 0.00 H new ATOM 0 HA ALA A 90 0.996 -15.346 5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.351 -14.550 5.726 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.309 -13.954 4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.772 -12.868 5.744 1.00 0.00 H new ATOM 1400 N LYS A 91 1.534 -13.142 8.401 1.00 0.00 N ATOM 1401 CA LYS A 91 1.912 -12.959 9.818 1.00 0.00 C ATOM 1402 C LYS A 91 0.710 -13.236 10.735 1.00 0.00 C ATOM 1403 O LYS A 91 0.889 -13.373 11.938 1.00 0.00 O ATOM 1404 CB LYS A 91 2.471 -11.509 10.052 1.00 0.00 C ATOM 1405 CG LYS A 91 1.407 -10.374 10.228 1.00 0.00 C ATOM 1406 CD LYS A 91 1.027 -10.097 11.721 1.00 0.00 C ATOM 1407 CE LYS A 91 -0.096 -9.063 11.873 1.00 0.00 C ATOM 1408 NZ LYS A 91 0.285 -7.760 11.308 1.00 0.00 N ATOM 0 H LYS A 91 1.238 -12.282 7.939 1.00 0.00 H new ATOM 0 HA LYS A 91 2.699 -13.672 10.064 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.103 -11.526 10.940 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.112 -11.249 9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.791 -9.456 9.783 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.506 -10.643 9.677 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.719 -11.031 12.191 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.910 -9.747 12.256 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.995 -9.426 11.376 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.341 -8.944 12.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.073 -6.999 11.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.321 -7.697 11.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.123 -7.661 10.357 1.00 0.00 H new