USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 623 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.468 (180deg=-0.423) USER MOD Single : A 3 ASN : amide:sc= -0.3 X(o=-0.3,f=-0.19) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.436 K(o=-0.44,f=-1.8) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 66:sc= 1.07 USER MOD Single : A 14 THR OG1 : rot -49:sc= -2.41! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 46:sc= 0.37 USER MOD Single : A 24 GLN : amide:sc= -0.268 K(o=-0.27,f=-2.7!) USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= -0.0522 (180deg=-0.358) USER MOD Single : A 30 ASN : amide:sc= -0.162 K(o=-0.16,f=-2.1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0341 USER MOD Single : A 40 LYS NZ :NH3+ -162:sc= -0.0051 (180deg=-0.488) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 153:sc= -0.322 (180deg=-1.04) USER MOD Single : A 50 MET CE :methyl -174:sc= -2.77 (180deg=-2.85) USER MOD Single : A 51 GLN : amide:sc= -0.666 K(o=-0.67,f=-1.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.0192 K(o=-0.019,f=-0.68) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 45:sc= 0.782 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0898 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.992 3.782 -15.879 1.00 0.00 N ATOM 2 CA MET A 1 2.555 3.211 -14.578 1.00 0.00 C ATOM 3 C MET A 1 3.485 3.639 -13.448 1.00 0.00 C ATOM 4 O MET A 1 4.671 3.309 -13.447 1.00 0.00 O ATOM 5 CB MET A 1 2.534 1.686 -14.697 1.00 0.00 C ATOM 6 CG MET A 1 3.791 1.108 -15.326 1.00 0.00 C ATOM 7 SD MET A 1 3.592 0.759 -17.083 1.00 0.00 S ATOM 8 CE MET A 1 5.285 0.897 -17.650 1.00 0.00 C ATOM 0 H1 MET A 1 2.278 4.458 -16.219 1.00 0.00 H new ATOM 0 H2 MET A 1 3.901 4.271 -15.755 1.00 0.00 H new ATOM 0 H3 MET A 1 3.102 3.017 -16.574 1.00 0.00 H new ATOM 0 HA MET A 1 1.558 3.583 -14.341 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.403 1.254 -13.705 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.670 1.388 -15.291 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.615 1.808 -15.190 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.063 0.190 -14.806 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.326 0.707 -18.723 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.657 1.901 -17.445 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.904 0.167 -17.128 1.00 0.00 H new ATOM 20 N ARG A 2 2.939 4.379 -12.489 1.00 0.00 N ATOM 21 CA ARG A 2 3.717 4.855 -11.352 1.00 0.00 C ATOM 22 C ARG A 2 3.635 3.877 -10.185 1.00 0.00 C ATOM 23 O ARG A 2 2.853 2.926 -10.212 1.00 0.00 O ATOM 24 CB ARG A 2 3.221 6.233 -10.916 1.00 0.00 C ATOM 25 CG ARG A 2 4.017 7.380 -11.519 1.00 0.00 C ATOM 26 CD ARG A 2 4.332 8.442 -10.481 1.00 0.00 C ATOM 27 NE ARG A 2 4.304 9.789 -11.048 1.00 0.00 N ATOM 28 CZ ARG A 2 4.236 10.899 -10.317 1.00 0.00 C ATOM 29 NH1 ARG A 2 4.186 10.829 -8.993 1.00 0.00 N ATOM 30 NH2 ARG A 2 4.219 12.084 -10.913 1.00 0.00 N ATOM 0 H ARG A 2 1.959 4.662 -12.477 1.00 0.00 H new ATOM 0 HA ARG A 2 4.759 4.931 -11.661 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.174 6.340 -11.198 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.267 6.300 -9.829 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.945 6.997 -11.943 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.452 7.826 -12.338 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.611 8.377 -9.666 1.00 0.00 H new ATOM 0 HD3 ARG A 2 5.316 8.250 -10.053 1.00 0.00 H new ATOM 0 HE ARG A 2 4.339 9.884 -12.063 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.200 9.921 -8.529 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.134 11.684 -8.439 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.258 12.144 -11.931 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.167 12.935 -10.354 1.00 0.00 H new ATOM 44 N ASN A 3 4.448 4.116 -9.161 1.00 0.00 N ATOM 45 CA ASN A 3 4.468 3.254 -7.984 1.00 0.00 C ATOM 46 C ASN A 3 3.951 3.998 -6.757 1.00 0.00 C ATOM 47 O ASN A 3 3.822 5.222 -6.768 1.00 0.00 O ATOM 48 CB ASN A 3 5.886 2.742 -7.725 1.00 0.00 C ATOM 49 CG ASN A 3 6.273 1.614 -8.662 1.00 0.00 C ATOM 50 OD1 ASN A 3 6.504 0.485 -8.231 1.00 0.00 O ATOM 51 ND2 ASN A 3 6.346 1.916 -9.953 1.00 0.00 N ATOM 0 H ASN A 3 5.101 4.899 -9.122 1.00 0.00 H new ATOM 0 HA ASN A 3 3.812 2.405 -8.175 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.593 3.564 -7.839 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.962 2.397 -6.694 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.602 1.198 -10.631 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.146 2.866 -10.267 1.00 0.00 H new ATOM 58 N ILE A 4 3.657 3.249 -5.699 1.00 0.00 N ATOM 59 CA ILE A 4 3.154 3.835 -4.463 1.00 0.00 C ATOM 60 C ILE A 4 3.902 3.286 -3.253 1.00 0.00 C ATOM 61 O ILE A 4 3.976 2.073 -3.053 1.00 0.00 O ATOM 62 CB ILE A 4 1.647 3.568 -4.288 1.00 0.00 C ATOM 63 CG1 ILE A 4 0.889 3.956 -5.559 1.00 0.00 C ATOM 64 CG2 ILE A 4 1.109 4.332 -3.087 1.00 0.00 C ATOM 65 CD1 ILE A 4 0.444 2.768 -6.385 1.00 0.00 C ATOM 0 H ILE A 4 3.759 2.234 -5.673 1.00 0.00 H new ATOM 0 HA ILE A 4 3.318 4.910 -4.531 1.00 0.00 H new ATOM 0 HB ILE A 4 1.499 2.503 -4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.014 4.546 -5.285 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.525 4.596 -6.171 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.043 4.133 -2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.633 4.011 -2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.265 5.400 -3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.087 3.119 -7.270 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.316 2.190 -6.690 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.218 2.139 -5.790 1.00 0.00 H new ATOM 77 N TYR A 5 4.456 4.187 -2.447 1.00 0.00 N ATOM 78 CA TYR A 5 5.200 3.792 -1.257 1.00 0.00 C ATOM 79 C TYR A 5 4.334 3.910 -0.006 1.00 0.00 C ATOM 80 O TYR A 5 3.791 4.975 0.286 1.00 0.00 O ATOM 81 CB TYR A 5 6.454 4.654 -1.106 1.00 0.00 C ATOM 82 CG TYR A 5 7.322 4.264 0.069 1.00 0.00 C ATOM 83 CD1 TYR A 5 7.572 2.928 0.358 1.00 0.00 C ATOM 84 CD2 TYR A 5 7.891 5.231 0.888 1.00 0.00 C ATOM 85 CE1 TYR A 5 8.364 2.568 1.431 1.00 0.00 C ATOM 86 CE2 TYR A 5 8.684 4.878 1.963 1.00 0.00 C ATOM 87 CZ TYR A 5 8.918 3.546 2.230 1.00 0.00 C ATOM 88 OH TYR A 5 9.708 3.190 3.299 1.00 0.00 O ATOM 0 H TYR A 5 4.403 5.195 -2.597 1.00 0.00 H new ATOM 0 HA TYR A 5 5.495 2.749 -1.374 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.043 4.585 -2.020 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.156 5.697 -0.996 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.140 2.159 -0.266 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.711 6.276 0.681 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.549 1.525 1.643 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.118 5.642 2.591 1.00 0.00 H new ATOM 0 HH TYR A 5 10.020 3.997 3.758 1.00 0.00 H new ATOM 98 N VAL A 6 4.210 2.809 0.727 1.00 0.00 N ATOM 99 CA VAL A 6 3.412 2.789 1.948 1.00 0.00 C ATOM 100 C VAL A 6 4.191 2.159 3.099 1.00 0.00 C ATOM 101 O VAL A 6 4.937 1.200 2.904 1.00 0.00 O ATOM 102 CB VAL A 6 2.092 2.018 1.746 1.00 0.00 C ATOM 103 CG1 VAL A 6 2.366 0.571 1.360 1.00 0.00 C ATOM 104 CG2 VAL A 6 1.231 2.090 2.999 1.00 0.00 C ATOM 0 H VAL A 6 4.652 1.919 0.497 1.00 0.00 H new ATOM 0 HA VAL A 6 3.180 3.825 2.194 1.00 0.00 H new ATOM 0 HB VAL A 6 1.544 2.488 0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.421 0.046 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.935 0.544 0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.939 0.086 2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.304 1.540 2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.771 1.650 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.000 3.132 3.222 1.00 0.00 H new ATOM 114 N GLY A 7 4.011 2.703 4.297 1.00 0.00 N ATOM 115 CA GLY A 7 4.704 2.181 5.459 1.00 0.00 C ATOM 116 C GLY A 7 3.802 2.070 6.672 1.00 0.00 C ATOM 117 O GLY A 7 2.621 2.408 6.609 1.00 0.00 O ATOM 0 H GLY A 7 3.398 3.496 4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.113 1.198 5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.548 2.829 5.696 1.00 0.00 H new ATOM 121 N ASN A 8 4.362 1.595 7.780 1.00 0.00 N ATOM 122 CA ASN A 8 3.601 1.440 9.014 1.00 0.00 C ATOM 123 C ASN A 8 2.468 0.433 8.834 1.00 0.00 C ATOM 124 O ASN A 8 1.422 0.541 9.473 1.00 0.00 O ATOM 125 CB ASN A 8 3.038 2.791 9.464 1.00 0.00 C ATOM 126 CG ASN A 8 3.787 3.363 10.652 1.00 0.00 C ATOM 127 OD1 ASN A 8 4.732 4.136 10.491 1.00 0.00 O ATOM 128 ND2 ASN A 8 3.369 2.985 11.854 1.00 0.00 N ATOM 0 H ASN A 8 5.339 1.311 7.848 1.00 0.00 H new ATOM 0 HA ASN A 8 4.275 1.063 9.783 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.086 3.496 8.634 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.986 2.675 9.723 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.835 3.337 12.690 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.582 2.342 11.941 1.00 0.00 H new ATOM 135 N LEU A 9 2.685 -0.546 7.960 1.00 0.00 N ATOM 136 CA LEU A 9 1.680 -1.569 7.698 1.00 0.00 C ATOM 137 C LEU A 9 2.239 -2.965 7.956 1.00 0.00 C ATOM 138 O LEU A 9 3.386 -3.118 8.377 1.00 0.00 O ATOM 139 CB LEU A 9 1.166 -1.456 6.261 1.00 0.00 C ATOM 140 CG LEU A 9 2.246 -1.394 5.184 1.00 0.00 C ATOM 141 CD1 LEU A 9 3.122 -2.631 5.250 1.00 0.00 C ATOM 142 CD2 LEU A 9 1.613 -1.258 3.809 1.00 0.00 C ATOM 0 H LEU A 9 3.546 -0.652 7.423 1.00 0.00 H new ATOM 0 HA LEU A 9 0.846 -1.408 8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.520 -2.310 6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.547 -0.562 6.183 1.00 0.00 H new ATOM 0 HG LEU A 9 2.870 -0.518 5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.889 -2.576 4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.597 -2.688 6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.510 -3.519 5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.395 -1.215 3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.970 -2.117 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.020 -0.344 3.770 1.00 0.00 H new ATOM 154 N VAL A 10 1.422 -3.981 7.699 1.00 0.00 N ATOM 155 CA VAL A 10 1.834 -5.364 7.901 1.00 0.00 C ATOM 156 C VAL A 10 1.326 -6.253 6.764 1.00 0.00 C ATOM 157 O VAL A 10 0.834 -5.755 5.751 1.00 0.00 O ATOM 158 CB VAL A 10 1.340 -5.899 9.269 1.00 0.00 C ATOM 159 CG1 VAL A 10 -0.025 -6.571 9.155 1.00 0.00 C ATOM 160 CG2 VAL A 10 2.363 -6.851 9.872 1.00 0.00 C ATOM 0 H VAL A 10 0.470 -3.872 7.350 1.00 0.00 H new ATOM 0 HA VAL A 10 2.924 -5.391 7.900 1.00 0.00 H new ATOM 0 HB VAL A 10 1.226 -5.044 9.935 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.336 -6.932 10.135 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.755 -5.851 8.785 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.039 -7.410 8.463 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.999 -7.216 10.832 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.517 -7.694 9.198 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.307 -6.326 10.018 1.00 0.00 H new ATOM 170 N TYR A 11 1.448 -7.567 6.934 1.00 0.00 N ATOM 171 CA TYR A 11 1.000 -8.512 5.917 1.00 0.00 C ATOM 172 C TYR A 11 -0.479 -8.310 5.598 1.00 0.00 C ATOM 173 O TYR A 11 -0.859 -8.161 4.436 1.00 0.00 O ATOM 174 CB TYR A 11 1.242 -9.948 6.383 1.00 0.00 C ATOM 175 CG TYR A 11 1.232 -10.960 5.259 1.00 0.00 C ATOM 176 CD1 TYR A 11 1.897 -10.708 4.067 1.00 0.00 C ATOM 177 CD2 TYR A 11 0.559 -12.168 5.393 1.00 0.00 C ATOM 178 CE1 TYR A 11 1.892 -11.631 3.037 1.00 0.00 C ATOM 179 CE2 TYR A 11 0.550 -13.096 4.369 1.00 0.00 C ATOM 180 CZ TYR A 11 1.217 -12.823 3.194 1.00 0.00 C ATOM 181 OH TYR A 11 1.210 -13.744 2.172 1.00 0.00 O ATOM 0 H TYR A 11 1.852 -8.000 7.764 1.00 0.00 H new ATOM 0 HA TYR A 11 1.576 -8.330 5.010 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.202 -9.997 6.896 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.477 -10.219 7.111 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.427 -9.776 3.942 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.035 -12.385 6.312 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.414 -11.419 2.115 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.023 -14.031 4.489 1.00 0.00 H new ATOM 0 HH TYR A 11 0.691 -14.530 2.443 1.00 0.00 H new ATOM 191 N SER A 12 -1.308 -8.306 6.636 1.00 0.00 N ATOM 192 CA SER A 12 -2.745 -8.121 6.467 1.00 0.00 C ATOM 193 C SER A 12 -3.256 -6.981 7.344 1.00 0.00 C ATOM 194 O SER A 12 -4.188 -7.156 8.129 1.00 0.00 O ATOM 195 CB SER A 12 -3.488 -9.416 6.804 1.00 0.00 C ATOM 196 OG SER A 12 -4.727 -9.487 6.121 1.00 0.00 O ATOM 0 H SER A 12 -1.010 -8.429 7.604 1.00 0.00 H new ATOM 0 HA SER A 12 -2.934 -7.862 5.425 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.871 -10.273 6.534 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.658 -9.472 7.879 1.00 0.00 H new ATOM 0 HG SER A 12 -4.566 -9.551 5.157 1.00 0.00 H new ATOM 202 N ALA A 13 -2.638 -5.812 7.205 1.00 0.00 N ATOM 203 CA ALA A 13 -3.030 -4.644 7.984 1.00 0.00 C ATOM 204 C ALA A 13 -4.124 -3.854 7.276 1.00 0.00 C ATOM 205 O ALA A 13 -5.185 -3.597 7.844 1.00 0.00 O ATOM 206 CB ALA A 13 -1.824 -3.754 8.246 1.00 0.00 C ATOM 0 H ALA A 13 -1.864 -5.649 6.560 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.426 -4.992 8.938 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.132 -2.886 8.829 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.072 -4.315 8.801 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.403 -3.423 7.297 1.00 0.00 H new ATOM 212 N THR A 14 -3.857 -3.470 6.033 1.00 0.00 N ATOM 213 CA THR A 14 -4.819 -2.707 5.245 1.00 0.00 C ATOM 214 C THR A 14 -4.489 -2.778 3.758 1.00 0.00 C ATOM 215 O THR A 14 -5.380 -2.927 2.922 1.00 0.00 O ATOM 216 CB THR A 14 -4.843 -1.248 5.703 1.00 0.00 C ATOM 217 OG1 THR A 14 -4.475 -1.143 7.068 1.00 0.00 O ATOM 218 CG2 THR A 14 -6.199 -0.593 5.543 1.00 0.00 C ATOM 0 H THR A 14 -2.983 -3.674 5.549 1.00 0.00 H new ATOM 0 HA THR A 14 -5.804 -3.147 5.400 1.00 0.00 H new ATOM 0 HB THR A 14 -4.129 -0.733 5.061 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.993 -1.785 7.597 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.147 0.440 5.886 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.491 -0.612 4.493 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.937 -1.135 6.135 1.00 0.00 H new ATOM 226 N SER A 15 -3.203 -2.669 3.434 1.00 0.00 N ATOM 227 CA SER A 15 -2.761 -2.721 2.045 1.00 0.00 C ATOM 228 C SER A 15 -3.261 -3.987 1.358 1.00 0.00 C ATOM 229 O SER A 15 -3.818 -3.931 0.262 1.00 0.00 O ATOM 230 CB SER A 15 -1.234 -2.653 1.969 1.00 0.00 C ATOM 231 OG SER A 15 -0.795 -2.521 0.628 1.00 0.00 O ATOM 0 H SER A 15 -2.452 -2.545 4.113 1.00 0.00 H new ATOM 0 HA SER A 15 -3.182 -1.860 1.526 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.875 -1.809 2.557 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.805 -3.553 2.409 1.00 0.00 H new ATOM 0 HG SER A 15 0.184 -2.478 0.607 1.00 0.00 H new ATOM 237 N GLU A 16 -3.067 -5.125 2.013 1.00 0.00 N ATOM 238 CA GLU A 16 -3.509 -6.401 1.466 1.00 0.00 C ATOM 239 C GLU A 16 -5.033 -6.490 1.464 1.00 0.00 C ATOM 240 O GLU A 16 -5.612 -7.359 0.810 1.00 0.00 O ATOM 241 CB GLU A 16 -2.919 -7.558 2.275 1.00 0.00 C ATOM 242 CG GLU A 16 -3.204 -8.926 1.675 1.00 0.00 C ATOM 243 CD GLU A 16 -4.086 -9.783 2.563 1.00 0.00 C ATOM 244 OE1 GLU A 16 -3.879 -9.767 3.795 1.00 0.00 O ATOM 245 OE2 GLU A 16 -4.982 -10.468 2.028 1.00 0.00 O ATOM 0 H GLU A 16 -2.608 -5.190 2.921 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.156 -6.471 0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.840 -7.422 2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.320 -7.524 3.288 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.685 -8.800 0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.261 -9.444 1.498 1.00 0.00 H new ATOM 252 N GLN A 17 -5.679 -5.587 2.197 1.00 0.00 N ATOM 253 CA GLN A 17 -7.134 -5.564 2.278 1.00 0.00 C ATOM 254 C GLN A 17 -7.730 -4.671 1.194 1.00 0.00 C ATOM 255 O GLN A 17 -8.783 -4.976 0.634 1.00 0.00 O ATOM 256 CB GLN A 17 -7.581 -5.079 3.659 1.00 0.00 C ATOM 257 CG GLN A 17 -9.091 -5.043 3.832 1.00 0.00 C ATOM 258 CD GLN A 17 -9.534 -5.552 5.190 1.00 0.00 C ATOM 259 OE1 GLN A 17 -10.028 -6.673 5.314 1.00 0.00 O ATOM 260 NE2 GLN A 17 -9.357 -4.729 6.217 1.00 0.00 N ATOM 0 H GLN A 17 -5.216 -4.861 2.744 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.496 -6.580 2.122 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.152 -5.731 4.420 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.180 -4.080 3.831 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.444 -4.020 3.698 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.557 -5.646 3.052 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.943 -3.809 6.068 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.635 -5.017 7.155 1.00 0.00 H new ATOM 269 N VAL A 18 -7.055 -3.561 0.912 1.00 0.00 N ATOM 270 CA VAL A 18 -7.522 -2.618 -0.096 1.00 0.00 C ATOM 271 C VAL A 18 -7.096 -3.040 -1.500 1.00 0.00 C ATOM 272 O VAL A 18 -7.768 -2.725 -2.482 1.00 0.00 O ATOM 273 CB VAL A 18 -6.996 -1.195 0.184 1.00 0.00 C ATOM 274 CG1 VAL A 18 -5.477 -1.161 0.122 1.00 0.00 C ATOM 275 CG2 VAL A 18 -7.604 -0.194 -0.792 1.00 0.00 C ATOM 0 H VAL A 18 -6.183 -3.293 1.368 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.611 -2.617 -0.042 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.299 -0.911 1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.127 -0.148 0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.067 -1.841 0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.146 -1.469 -0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.220 0.803 -0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.339 -0.473 -1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.689 -0.195 -0.686 1.00 0.00 H new ATOM 285 N LYS A 19 -5.977 -3.754 -1.592 1.00 0.00 N ATOM 286 CA LYS A 19 -5.467 -4.213 -2.881 1.00 0.00 C ATOM 287 C LYS A 19 -6.540 -4.976 -3.653 1.00 0.00 C ATOM 288 O LYS A 19 -6.603 -4.906 -4.880 1.00 0.00 O ATOM 289 CB LYS A 19 -4.233 -5.097 -2.684 1.00 0.00 C ATOM 290 CG LYS A 19 -4.534 -6.430 -2.021 1.00 0.00 C ATOM 291 CD LYS A 19 -3.344 -7.373 -2.101 1.00 0.00 C ATOM 292 CE LYS A 19 -3.753 -8.813 -1.833 1.00 0.00 C ATOM 293 NZ LYS A 19 -3.801 -9.618 -3.085 1.00 0.00 N ATOM 0 H LYS A 19 -5.407 -4.027 -0.791 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.184 -3.336 -3.462 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.770 -5.280 -3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.504 -4.558 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.800 -6.266 -0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.397 -6.890 -2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.888 -7.301 -3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.588 -7.068 -1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.048 -9.267 -1.136 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.731 -8.829 -1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.084 -10.593 -2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.492 -9.200 -3.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.861 -9.624 -3.530 1.00 0.00 H new ATOM 307 N GLU A 20 -7.383 -5.702 -2.926 1.00 0.00 N ATOM 308 CA GLU A 20 -8.455 -6.473 -3.544 1.00 0.00 C ATOM 309 C GLU A 20 -9.467 -5.550 -4.215 1.00 0.00 C ATOM 310 O GLU A 20 -9.984 -5.855 -5.290 1.00 0.00 O ATOM 311 CB GLU A 20 -9.154 -7.345 -2.498 1.00 0.00 C ATOM 312 CG GLU A 20 -8.614 -8.763 -2.428 1.00 0.00 C ATOM 313 CD GLU A 20 -9.661 -9.765 -1.985 1.00 0.00 C ATOM 314 OE1 GLU A 20 -10.657 -9.944 -2.717 1.00 0.00 O ATOM 315 OE2 GLU A 20 -9.487 -10.369 -0.905 1.00 0.00 O ATOM 0 H GLU A 20 -7.344 -5.772 -1.909 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.016 -7.117 -4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.050 -6.877 -1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.220 -7.382 -2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.232 -9.051 -3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.772 -8.793 -1.736 1.00 0.00 H new ATOM 322 N LEU A 21 -9.742 -4.419 -3.574 1.00 0.00 N ATOM 323 CA LEU A 21 -10.689 -3.447 -4.107 1.00 0.00 C ATOM 324 C LEU A 21 -9.997 -2.490 -5.072 1.00 0.00 C ATOM 325 O LEU A 21 -10.618 -1.969 -5.998 1.00 0.00 O ATOM 326 CB LEU A 21 -11.340 -2.660 -2.967 1.00 0.00 C ATOM 327 CG LEU A 21 -12.562 -1.831 -3.369 1.00 0.00 C ATOM 328 CD1 LEU A 21 -13.630 -1.892 -2.288 1.00 0.00 C ATOM 329 CD2 LEU A 21 -12.160 -0.389 -3.642 1.00 0.00 C ATOM 0 H LEU A 21 -9.322 -4.153 -2.684 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.462 -3.989 -4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.636 -3.360 -2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.594 -1.994 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.977 -2.253 -4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.491 -1.296 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.939 -2.927 -2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.227 -1.497 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.041 0.187 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.719 0.042 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.431 -0.362 -4.452 1.00 0.00 H new ATOM 341 N PHE A 22 -8.705 -2.263 -4.850 1.00 0.00 N ATOM 342 CA PHE A 22 -7.926 -1.370 -5.700 1.00 0.00 C ATOM 343 C PHE A 22 -7.955 -1.836 -7.154 1.00 0.00 C ATOM 344 O PHE A 22 -7.800 -1.035 -8.076 1.00 0.00 O ATOM 345 CB PHE A 22 -6.480 -1.292 -5.200 1.00 0.00 C ATOM 346 CG PHE A 22 -6.117 0.046 -4.621 1.00 0.00 C ATOM 347 CD1 PHE A 22 -6.463 1.216 -5.277 1.00 0.00 C ATOM 348 CD2 PHE A 22 -5.430 0.132 -3.420 1.00 0.00 C ATOM 349 CE1 PHE A 22 -6.131 2.448 -4.747 1.00 0.00 C ATOM 350 CE2 PHE A 22 -5.095 1.362 -2.885 1.00 0.00 C ATOM 351 CZ PHE A 22 -5.446 2.520 -3.549 1.00 0.00 C ATOM 0 H PHE A 22 -8.176 -2.686 -4.088 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.374 -0.377 -5.651 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.324 -2.061 -4.443 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.806 -1.516 -6.026 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.998 1.165 -6.214 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.154 -0.771 -2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.406 3.353 -5.268 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.559 1.417 -1.949 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.185 3.482 -3.133 1.00 0.00 H new ATOM 361 N SER A 23 -8.158 -3.136 -7.352 1.00 0.00 N ATOM 362 CA SER A 23 -8.209 -3.706 -8.693 1.00 0.00 C ATOM 363 C SER A 23 -9.543 -3.402 -9.368 1.00 0.00 C ATOM 364 O SER A 23 -9.631 -3.345 -10.594 1.00 0.00 O ATOM 365 CB SER A 23 -7.987 -5.219 -8.633 1.00 0.00 C ATOM 366 OG SER A 23 -8.400 -5.747 -7.385 1.00 0.00 O ATOM 0 H SER A 23 -8.290 -3.813 -6.601 1.00 0.00 H new ATOM 0 HA SER A 23 -7.415 -3.250 -9.284 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.541 -5.703 -9.437 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.932 -5.441 -8.794 1.00 0.00 H new ATOM 0 HG SER A 23 -9.280 -5.384 -7.151 1.00 0.00 H new ATOM 372 N GLN A 24 -10.582 -3.212 -8.560 1.00 0.00 N ATOM 373 CA GLN A 24 -11.910 -2.917 -9.083 1.00 0.00 C ATOM 374 C GLN A 24 -12.130 -1.412 -9.236 1.00 0.00 C ATOM 375 O GLN A 24 -13.092 -0.982 -9.873 1.00 0.00 O ATOM 376 CB GLN A 24 -12.983 -3.509 -8.164 1.00 0.00 C ATOM 377 CG GLN A 24 -13.522 -4.847 -8.643 1.00 0.00 C ATOM 378 CD GLN A 24 -14.874 -4.724 -9.317 1.00 0.00 C ATOM 379 OE1 GLN A 24 -15.529 -3.683 -9.238 1.00 0.00 O ATOM 380 NE2 GLN A 24 -15.303 -5.789 -9.985 1.00 0.00 N ATOM 0 H GLN A 24 -10.529 -3.257 -7.542 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.987 -3.372 -10.071 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.566 -3.631 -7.164 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.809 -2.802 -8.081 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -12.812 -5.292 -9.340 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -13.604 -5.526 -7.794 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -14.729 -6.631 -10.025 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -16.207 -5.765 -10.458 1.00 0.00 H new ATOM 389 N PHE A 25 -11.241 -0.614 -8.649 1.00 0.00 N ATOM 390 CA PHE A 25 -11.355 0.838 -8.726 1.00 0.00 C ATOM 391 C PHE A 25 -10.271 1.431 -9.622 1.00 0.00 C ATOM 392 O PHE A 25 -10.513 2.399 -10.343 1.00 0.00 O ATOM 393 CB PHE A 25 -11.268 1.452 -7.329 1.00 0.00 C ATOM 394 CG PHE A 25 -12.070 2.713 -7.178 1.00 0.00 C ATOM 395 CD1 PHE A 25 -11.508 3.946 -7.471 1.00 0.00 C ATOM 396 CD2 PHE A 25 -13.385 2.667 -6.744 1.00 0.00 C ATOM 397 CE1 PHE A 25 -12.244 5.108 -7.334 1.00 0.00 C ATOM 398 CE2 PHE A 25 -14.124 3.825 -6.604 1.00 0.00 C ATOM 399 CZ PHE A 25 -13.553 5.047 -6.900 1.00 0.00 C ATOM 0 H PHE A 25 -10.437 -0.948 -8.117 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.326 1.074 -9.162 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -11.613 0.721 -6.597 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -10.224 1.665 -7.099 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -10.484 3.999 -7.810 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -13.837 1.714 -6.512 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -11.795 6.063 -7.566 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -15.148 3.775 -6.263 1.00 0.00 H new ATOM 0 HZ PHE A 25 -14.130 5.954 -6.792 1.00 0.00 H new ATOM 409 N GLY A 26 -9.077 0.852 -9.569 1.00 0.00 N ATOM 410 CA GLY A 26 -7.979 1.347 -10.380 1.00 0.00 C ATOM 411 C GLY A 26 -7.206 0.240 -11.074 1.00 0.00 C ATOM 412 O GLY A 26 -6.143 0.487 -11.643 1.00 0.00 O ATOM 0 H GLY A 26 -8.849 0.051 -8.981 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.370 2.034 -11.130 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.298 1.918 -9.749 1.00 0.00 H new ATOM 416 N LYS A 27 -7.740 -0.981 -11.032 1.00 0.00 N ATOM 417 CA LYS A 27 -7.095 -2.132 -11.665 1.00 0.00 C ATOM 418 C LYS A 27 -5.589 -2.143 -11.403 1.00 0.00 C ATOM 419 O LYS A 27 -4.786 -2.195 -12.336 1.00 0.00 O ATOM 420 CB LYS A 27 -7.367 -2.130 -13.172 1.00 0.00 C ATOM 421 CG LYS A 27 -6.865 -0.883 -13.883 1.00 0.00 C ATOM 422 CD LYS A 27 -6.826 -1.078 -15.390 1.00 0.00 C ATOM 423 CE LYS A 27 -6.421 0.200 -16.106 1.00 0.00 C ATOM 424 NZ LYS A 27 -5.198 0.806 -15.511 1.00 0.00 N ATOM 0 H LYS A 27 -8.620 -1.199 -10.565 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.519 -3.035 -11.225 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.896 -3.006 -13.618 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.440 -2.225 -13.339 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.512 -0.040 -13.641 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.867 -0.634 -13.521 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.123 -1.873 -15.637 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.806 -1.399 -15.742 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.244 -0.015 -17.160 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.241 0.917 -16.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.819 1.528 -16.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.437 1.248 -14.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.483 0.067 -15.360 1.00 0.00 H new ATOM 438 N VAL A 28 -5.214 -2.093 -10.128 1.00 0.00 N ATOM 439 CA VAL A 28 -3.807 -2.097 -9.738 1.00 0.00 C ATOM 440 C VAL A 28 -3.028 -3.184 -10.476 1.00 0.00 C ATOM 441 O VAL A 28 -3.454 -4.337 -10.534 1.00 0.00 O ATOM 442 CB VAL A 28 -3.649 -2.305 -8.219 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.228 -3.647 -7.797 1.00 0.00 C ATOM 444 CG2 VAL A 28 -2.188 -2.194 -7.812 1.00 0.00 C ATOM 0 H VAL A 28 -5.867 -2.049 -9.345 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.401 -1.122 -10.010 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.205 -1.520 -7.706 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.106 -3.774 -6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.288 -3.681 -8.049 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.705 -4.449 -8.318 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.098 -2.344 -6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.606 -2.953 -8.334 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.812 -1.205 -8.073 1.00 0.00 H new ATOM 454 N PHE A 29 -1.885 -2.805 -11.038 1.00 0.00 N ATOM 455 CA PHE A 29 -1.046 -3.744 -11.774 1.00 0.00 C ATOM 456 C PHE A 29 -0.593 -4.890 -10.874 1.00 0.00 C ATOM 457 O PHE A 29 -0.842 -6.058 -11.170 1.00 0.00 O ATOM 458 CB PHE A 29 0.172 -3.023 -12.356 1.00 0.00 C ATOM 459 CG PHE A 29 -0.174 -2.048 -13.445 1.00 0.00 C ATOM 460 CD1 PHE A 29 -0.315 -2.475 -14.755 1.00 0.00 C ATOM 461 CD2 PHE A 29 -0.358 -0.705 -13.158 1.00 0.00 C ATOM 462 CE1 PHE A 29 -0.634 -1.581 -15.759 1.00 0.00 C ATOM 463 CE2 PHE A 29 -0.676 0.194 -14.157 1.00 0.00 C ATOM 464 CZ PHE A 29 -0.814 -0.245 -15.460 1.00 0.00 C ATOM 0 H PHE A 29 -1.518 -1.854 -10.998 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.637 -4.160 -12.590 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.688 -2.493 -11.555 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.869 -3.763 -12.749 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.174 -3.519 -14.994 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.251 -0.357 -12.141 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.742 -1.927 -16.776 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.817 1.238 -13.920 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.062 0.456 -16.243 1.00 0.00 H new ATOM 474 N ASN A 30 0.075 -4.547 -9.777 1.00 0.00 N ATOM 475 CA ASN A 30 0.561 -5.550 -8.836 1.00 0.00 C ATOM 476 C ASN A 30 0.761 -4.947 -7.449 1.00 0.00 C ATOM 477 O ASN A 30 0.784 -3.726 -7.289 1.00 0.00 O ATOM 478 CB ASN A 30 1.876 -6.153 -9.338 1.00 0.00 C ATOM 479 CG ASN A 30 1.890 -7.666 -9.241 1.00 0.00 C ATOM 480 OD1 ASN A 30 1.135 -8.256 -8.468 1.00 0.00 O ATOM 481 ND2 ASN A 30 2.752 -8.302 -10.026 1.00 0.00 N ATOM 0 H ASN A 30 0.292 -3.584 -9.518 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.189 -6.337 -8.763 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.037 -5.856 -10.374 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.704 -5.746 -8.758 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.807 -9.320 -10.003 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.359 -7.772 -10.652 1.00 0.00 H new ATOM 488 N VAL A 31 0.904 -5.812 -6.451 1.00 0.00 N ATOM 489 CA VAL A 31 1.102 -5.367 -5.077 1.00 0.00 C ATOM 490 C VAL A 31 2.099 -6.264 -4.350 1.00 0.00 C ATOM 491 O VAL A 31 1.836 -7.445 -4.125 1.00 0.00 O ATOM 492 CB VAL A 31 -0.224 -5.352 -4.295 1.00 0.00 C ATOM 493 CG1 VAL A 31 -0.035 -4.703 -2.932 1.00 0.00 C ATOM 494 CG2 VAL A 31 -1.305 -4.635 -5.089 1.00 0.00 C ATOM 0 H VAL A 31 0.886 -6.825 -6.568 1.00 0.00 H new ATOM 0 HA VAL A 31 1.497 -4.352 -5.125 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.543 -6.383 -4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.983 -4.702 -2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.705 -5.264 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.309 -3.677 -3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.235 -4.635 -4.520 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.996 -3.607 -5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.461 -5.148 -6.038 1.00 0.00 H new ATOM 504 N LYS A 32 3.244 -5.696 -3.986 1.00 0.00 N ATOM 505 CA LYS A 32 4.281 -6.447 -3.286 1.00 0.00 C ATOM 506 C LYS A 32 4.561 -5.844 -1.913 1.00 0.00 C ATOM 507 O LYS A 32 4.383 -4.645 -1.702 1.00 0.00 O ATOM 508 CB LYS A 32 5.565 -6.475 -4.115 1.00 0.00 C ATOM 509 CG LYS A 32 6.429 -7.699 -3.859 1.00 0.00 C ATOM 510 CD LYS A 32 7.066 -8.211 -5.142 1.00 0.00 C ATOM 511 CE LYS A 32 6.319 -9.415 -5.696 1.00 0.00 C ATOM 512 NZ LYS A 32 7.225 -10.577 -5.917 1.00 0.00 N ATOM 0 H LYS A 32 3.478 -4.719 -4.164 1.00 0.00 H new ATOM 0 HA LYS A 32 3.923 -7.467 -3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.305 -6.439 -5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.146 -5.579 -3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.208 -7.451 -3.139 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.822 -8.487 -3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.077 -7.415 -5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.104 -8.483 -4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.526 -9.700 -5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.840 -9.144 -6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.678 -11.377 -6.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.968 -10.314 -6.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.663 -10.852 -5.015 1.00 0.00 H new ATOM 526 N LEU A 33 5.003 -6.686 -0.985 1.00 0.00 N ATOM 527 CA LEU A 33 5.311 -6.240 0.369 1.00 0.00 C ATOM 528 C LEU A 33 6.686 -6.739 0.803 1.00 0.00 C ATOM 529 O LEU A 33 7.133 -7.803 0.376 1.00 0.00 O ATOM 530 CB LEU A 33 4.243 -6.735 1.348 1.00 0.00 C ATOM 531 CG LEU A 33 2.865 -6.089 1.186 1.00 0.00 C ATOM 532 CD1 LEU A 33 1.765 -7.132 1.316 1.00 0.00 C ATOM 533 CD2 LEU A 33 2.673 -4.978 2.209 1.00 0.00 C ATOM 0 H LEU A 33 5.156 -7.682 -1.146 1.00 0.00 H new ATOM 0 HA LEU A 33 5.320 -5.150 0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.137 -7.814 1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.593 -6.557 2.365 1.00 0.00 H new ATOM 0 HG LEU A 33 2.806 -5.653 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.793 -6.653 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.891 -7.892 0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.822 -7.600 2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.688 -4.530 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.754 -5.391 3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.440 -4.216 2.067 1.00 0.00 H new ATOM 545 N ILE A 34 7.352 -5.965 1.654 1.00 0.00 N ATOM 546 CA ILE A 34 8.675 -6.334 2.142 1.00 0.00 C ATOM 547 C ILE A 34 8.588 -7.487 3.139 1.00 0.00 C ATOM 548 O ILE A 34 7.514 -8.043 3.365 1.00 0.00 O ATOM 549 CB ILE A 34 9.383 -5.137 2.808 1.00 0.00 C ATOM 550 CG1 ILE A 34 8.579 -4.640 4.010 1.00 0.00 C ATOM 551 CG2 ILE A 34 9.588 -4.014 1.800 1.00 0.00 C ATOM 552 CD1 ILE A 34 8.918 -5.357 5.298 1.00 0.00 C ATOM 0 H ILE A 34 6.998 -5.081 2.019 1.00 0.00 H new ATOM 0 HA ILE A 34 9.258 -6.650 1.277 1.00 0.00 H new ATOM 0 HB ILE A 34 10.360 -5.466 3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.756 -3.572 4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.516 -4.764 3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.089 -3.176 2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.201 -4.374 0.974 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.621 -3.687 1.418 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.311 -4.955 6.109 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.714 -6.422 5.186 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.973 -5.212 5.528 1.00 0.00 H new ATOM 564 N TYR A 35 9.725 -7.844 3.728 1.00 0.00 N ATOM 565 CA TYR A 35 9.773 -8.935 4.695 1.00 0.00 C ATOM 566 C TYR A 35 10.861 -8.695 5.736 1.00 0.00 C ATOM 567 O TYR A 35 11.520 -7.654 5.734 1.00 0.00 O ATOM 568 CB TYR A 35 10.020 -10.263 3.980 1.00 0.00 C ATOM 569 CG TYR A 35 9.174 -10.453 2.742 1.00 0.00 C ATOM 570 CD1 TYR A 35 7.860 -10.892 2.836 1.00 0.00 C ATOM 571 CD2 TYR A 35 9.690 -10.192 1.478 1.00 0.00 C ATOM 572 CE1 TYR A 35 7.083 -11.066 1.706 1.00 0.00 C ATOM 573 CE2 TYR A 35 8.919 -10.363 0.343 1.00 0.00 C ATOM 574 CZ TYR A 35 7.617 -10.800 0.463 1.00 0.00 C ATOM 575 OH TYR A 35 6.847 -10.971 -0.665 1.00 0.00 O ATOM 0 H TYR A 35 10.624 -7.395 3.553 1.00 0.00 H new ATOM 0 HA TYR A 35 8.811 -8.977 5.207 1.00 0.00 H new ATOM 0 HB2 TYR A 35 11.072 -10.326 3.703 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.823 -11.081 4.673 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.438 -11.101 3.808 1.00 0.00 H new ATOM 0 HD2 TYR A 35 10.710 -9.850 1.381 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.063 -11.409 1.796 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.334 -10.155 -0.632 1.00 0.00 H new ATOM 0 HH TYR A 35 7.373 -10.739 -1.459 1.00 0.00 H new ATOM 585 N ASP A 36 11.047 -9.667 6.624 1.00 0.00 N ATOM 586 CA ASP A 36 12.057 -9.565 7.671 1.00 0.00 C ATOM 587 C ASP A 36 13.438 -9.921 7.129 1.00 0.00 C ATOM 588 O ASP A 36 13.629 -10.037 5.919 1.00 0.00 O ATOM 589 CB ASP A 36 11.700 -10.485 8.841 1.00 0.00 C ATOM 590 CG ASP A 36 12.015 -9.861 10.186 1.00 0.00 C ATOM 591 OD1 ASP A 36 12.822 -8.907 10.224 1.00 0.00 O ATOM 592 OD2 ASP A 36 11.457 -10.325 11.203 1.00 0.00 O ATOM 0 H ASP A 36 10.511 -10.535 6.639 1.00 0.00 H new ATOM 0 HA ASP A 36 12.081 -8.534 8.023 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.639 -10.729 8.797 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.247 -11.423 8.742 1.00 0.00 H new ATOM 597 N ARG A 37 14.396 -10.094 8.034 1.00 0.00 N ATOM 598 CA ARG A 37 15.760 -10.438 7.646 1.00 0.00 C ATOM 599 C ARG A 37 16.183 -11.764 8.270 1.00 0.00 C ATOM 600 O ARG A 37 17.341 -11.942 8.649 1.00 0.00 O ATOM 601 CB ARG A 37 16.727 -9.331 8.069 1.00 0.00 C ATOM 602 CG ARG A 37 16.461 -7.998 7.388 1.00 0.00 C ATOM 603 CD ARG A 37 16.931 -6.833 8.243 1.00 0.00 C ATOM 604 NE ARG A 37 17.473 -5.743 7.435 1.00 0.00 N ATOM 605 CZ ARG A 37 17.619 -4.495 7.874 1.00 0.00 C ATOM 606 NH1 ARG A 37 17.266 -4.175 9.113 1.00 0.00 N ATOM 607 NH2 ARG A 37 18.120 -3.564 7.074 1.00 0.00 N ATOM 0 H ARG A 37 14.254 -10.002 9.040 1.00 0.00 H new ATOM 0 HA ARG A 37 15.789 -10.541 6.561 1.00 0.00 H new ATOM 0 HB2 ARG A 37 16.663 -9.197 9.149 1.00 0.00 H new ATOM 0 HB3 ARG A 37 17.747 -9.646 7.847 1.00 0.00 H new ATOM 0 HG2 ARG A 37 16.970 -7.972 6.425 1.00 0.00 H new ATOM 0 HG3 ARG A 37 15.394 -7.897 7.188 1.00 0.00 H new ATOM 0 HD2 ARG A 37 16.098 -6.462 8.839 1.00 0.00 H new ATOM 0 HD3 ARG A 37 17.693 -7.180 8.941 1.00 0.00 H new ATOM 0 HE ARG A 37 17.756 -5.951 6.477 1.00 0.00 H new ATOM 0 HH11 ARG A 37 16.881 -4.887 9.734 1.00 0.00 H new ATOM 0 HH12 ARG A 37 17.380 -3.217 9.444 1.00 0.00 H new ATOM 0 HH21 ARG A 37 18.394 -3.804 6.121 1.00 0.00 H new ATOM 0 HH22 ARG A 37 18.231 -2.608 7.411 1.00 0.00 H new ATOM 621 N GLU A 38 15.237 -12.692 8.375 1.00 0.00 N ATOM 622 CA GLU A 38 15.512 -14.002 8.954 1.00 0.00 C ATOM 623 C GLU A 38 14.407 -14.995 8.607 1.00 0.00 C ATOM 624 O GLU A 38 14.661 -16.029 7.990 1.00 0.00 O ATOM 625 CB GLU A 38 15.653 -13.890 10.473 1.00 0.00 C ATOM 626 CG GLU A 38 16.218 -15.142 11.125 1.00 0.00 C ATOM 627 CD GLU A 38 17.102 -14.831 12.317 1.00 0.00 C ATOM 628 OE1 GLU A 38 18.267 -14.436 12.105 1.00 0.00 O ATOM 629 OE2 GLU A 38 16.628 -14.981 13.463 1.00 0.00 O ATOM 0 H GLU A 38 14.274 -12.561 8.067 1.00 0.00 H new ATOM 0 HA GLU A 38 16.449 -14.368 8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 38 16.299 -13.044 10.708 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.676 -13.674 10.905 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.396 -15.783 11.444 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.792 -15.703 10.388 1.00 0.00 H new ATOM 636 N THR A 39 13.180 -14.673 9.007 1.00 0.00 N ATOM 637 CA THR A 39 12.037 -15.538 8.738 1.00 0.00 C ATOM 638 C THR A 39 11.226 -15.035 7.543 1.00 0.00 C ATOM 639 O THR A 39 10.276 -15.688 7.111 1.00 0.00 O ATOM 640 CB THR A 39 11.140 -15.630 9.973 1.00 0.00 C ATOM 641 OG1 THR A 39 11.285 -14.477 10.785 1.00 0.00 O ATOM 642 CG2 THR A 39 11.434 -16.838 10.837 1.00 0.00 C ATOM 0 H THR A 39 12.953 -13.820 9.518 1.00 0.00 H new ATOM 0 HA THR A 39 12.420 -16.529 8.496 1.00 0.00 H new ATOM 0 HB THR A 39 10.124 -15.717 9.587 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.702 -14.554 11.569 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.763 -16.843 11.696 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.285 -17.747 10.254 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.466 -16.795 11.184 1.00 0.00 H new ATOM 650 N LYS A 40 11.602 -13.874 7.010 1.00 0.00 N ATOM 651 CA LYS A 40 10.904 -13.296 5.867 1.00 0.00 C ATOM 652 C LYS A 40 9.456 -12.971 6.221 1.00 0.00 C ATOM 653 O LYS A 40 8.556 -13.111 5.391 1.00 0.00 O ATOM 654 CB LYS A 40 10.951 -14.255 4.676 1.00 0.00 C ATOM 655 CG LYS A 40 12.125 -14.008 3.742 1.00 0.00 C ATOM 656 CD LYS A 40 13.447 -14.357 4.405 1.00 0.00 C ATOM 657 CE LYS A 40 13.903 -15.759 4.035 1.00 0.00 C ATOM 658 NZ LYS A 40 13.226 -16.799 4.858 1.00 0.00 N ATOM 0 H LYS A 40 12.385 -13.317 7.352 1.00 0.00 H new ATOM 0 HA LYS A 40 11.408 -12.368 5.595 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.001 -15.279 5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.023 -14.166 4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.003 -14.603 2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.135 -12.962 3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.207 -13.635 4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.344 -14.281 5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.698 -15.941 2.980 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.982 -15.837 4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.762 -17.688 4.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.180 -16.483 5.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.262 -16.953 4.499 1.00 0.00 H new ATOM 672 N LYS A 41 9.237 -12.536 7.457 1.00 0.00 N ATOM 673 CA LYS A 41 7.898 -12.189 7.920 1.00 0.00 C ATOM 674 C LYS A 41 7.473 -10.822 7.382 1.00 0.00 C ATOM 675 O LYS A 41 8.087 -9.806 7.708 1.00 0.00 O ATOM 676 CB LYS A 41 7.852 -12.185 9.450 1.00 0.00 C ATOM 677 CG LYS A 41 7.440 -13.519 10.049 1.00 0.00 C ATOM 678 CD LYS A 41 6.087 -13.972 9.524 1.00 0.00 C ATOM 679 CE LYS A 41 5.264 -14.645 10.612 1.00 0.00 C ATOM 680 NZ LYS A 41 4.631 -13.651 11.523 1.00 0.00 N ATOM 0 H LYS A 41 9.969 -12.415 8.157 1.00 0.00 H new ATOM 0 HA LYS A 41 7.203 -12.939 7.544 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.835 -11.912 9.834 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.155 -11.416 9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.193 -14.272 9.815 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.400 -13.435 11.135 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.542 -13.113 9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.231 -14.664 8.694 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.491 -15.262 10.154 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.903 -15.313 11.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.079 -14.149 12.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.370 -13.079 11.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.002 -13.030 10.976 1.00 0.00 H new ATOM 694 N PRO A 42 6.417 -10.774 6.549 1.00 0.00 N ATOM 695 CA PRO A 42 5.923 -9.518 5.972 1.00 0.00 C ATOM 696 C PRO A 42 5.457 -8.534 7.040 1.00 0.00 C ATOM 697 O PRO A 42 4.483 -8.789 7.749 1.00 0.00 O ATOM 698 CB PRO A 42 4.738 -9.953 5.099 1.00 0.00 C ATOM 699 CG PRO A 42 4.933 -11.413 4.874 1.00 0.00 C ATOM 700 CD PRO A 42 5.625 -11.932 6.099 1.00 0.00 C ATOM 0 HA PRO A 42 6.705 -8.997 5.419 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.789 -9.755 5.597 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.723 -9.408 4.155 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.978 -11.915 4.723 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.532 -11.594 3.982 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.913 -12.254 6.859 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.258 -12.790 5.872 1.00 0.00 H new ATOM 708 N LYS A 43 6.155 -7.407 7.150 1.00 0.00 N ATOM 709 CA LYS A 43 5.806 -6.384 8.131 1.00 0.00 C ATOM 710 C LYS A 43 6.726 -5.173 8.008 1.00 0.00 C ATOM 711 O LYS A 43 7.937 -5.312 7.849 1.00 0.00 O ATOM 712 CB LYS A 43 5.872 -6.949 9.555 1.00 0.00 C ATOM 713 CG LYS A 43 6.937 -8.018 9.752 1.00 0.00 C ATOM 714 CD LYS A 43 8.311 -7.524 9.330 1.00 0.00 C ATOM 715 CE LYS A 43 9.418 -8.385 9.914 1.00 0.00 C ATOM 716 NZ LYS A 43 10.074 -7.730 11.080 1.00 0.00 N ATOM 0 H LYS A 43 6.965 -7.179 6.573 1.00 0.00 H new ATOM 0 HA LYS A 43 4.784 -6.066 7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.061 -6.131 10.250 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.900 -7.369 9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.963 -8.317 10.800 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.675 -8.904 9.174 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.382 -7.528 8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.443 -6.492 9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.006 -9.346 10.222 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.163 -8.589 9.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.464 -8.457 11.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.842 -7.114 10.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.374 -7.161 11.598 1.00 0.00 H new ATOM 730 N GLY A 44 6.138 -3.982 8.083 1.00 0.00 N ATOM 731 CA GLY A 44 6.919 -2.762 7.981 1.00 0.00 C ATOM 732 C GLY A 44 6.369 -1.802 6.944 1.00 0.00 C ATOM 733 O GLY A 44 5.806 -0.763 7.288 1.00 0.00 O ATOM 0 H GLY A 44 5.136 -3.840 8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.942 -2.268 8.952 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.949 -3.014 7.727 1.00 0.00 H new ATOM 737 N PHE A 45 6.537 -2.148 5.672 1.00 0.00 N ATOM 738 CA PHE A 45 6.058 -1.309 4.581 1.00 0.00 C ATOM 739 C PHE A 45 5.741 -2.150 3.348 1.00 0.00 C ATOM 740 O PHE A 45 5.859 -3.374 3.374 1.00 0.00 O ATOM 741 CB PHE A 45 7.098 -0.242 4.233 1.00 0.00 C ATOM 742 CG PHE A 45 8.507 -0.764 4.186 1.00 0.00 C ATOM 743 CD1 PHE A 45 9.165 -1.121 5.352 1.00 0.00 C ATOM 744 CD2 PHE A 45 9.170 -0.897 2.978 1.00 0.00 C ATOM 745 CE1 PHE A 45 10.461 -1.602 5.312 1.00 0.00 C ATOM 746 CE2 PHE A 45 10.465 -1.376 2.931 1.00 0.00 C ATOM 747 CZ PHE A 45 11.111 -1.729 4.101 1.00 0.00 C ATOM 0 H PHE A 45 7.002 -3.005 5.372 1.00 0.00 H new ATOM 0 HA PHE A 45 5.142 -0.818 4.909 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.849 0.194 3.265 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.042 0.561 4.968 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.661 -1.023 6.302 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.669 -0.623 2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.964 -1.878 6.227 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.972 -1.474 1.982 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.123 -2.104 4.068 1.00 0.00 H new ATOM 757 N GLY A 46 5.337 -1.485 2.270 1.00 0.00 N ATOM 758 CA GLY A 46 5.010 -2.191 1.046 1.00 0.00 C ATOM 759 C GLY A 46 5.171 -1.324 -0.187 1.00 0.00 C ATOM 760 O GLY A 46 5.705 -0.217 -0.110 1.00 0.00 O ATOM 0 H GLY A 46 5.231 -0.472 2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.650 -3.069 0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.982 -2.550 1.101 1.00 0.00 H new ATOM 764 N PHE A 47 4.709 -1.828 -1.326 1.00 0.00 N ATOM 765 CA PHE A 47 4.803 -1.092 -2.581 1.00 0.00 C ATOM 766 C PHE A 47 3.712 -1.532 -3.554 1.00 0.00 C ATOM 767 O PHE A 47 3.460 -2.725 -3.722 1.00 0.00 O ATOM 768 CB PHE A 47 6.183 -1.297 -3.214 1.00 0.00 C ATOM 769 CG PHE A 47 6.981 -0.030 -3.331 1.00 0.00 C ATOM 770 CD1 PHE A 47 7.688 0.463 -2.247 1.00 0.00 C ATOM 771 CD2 PHE A 47 7.024 0.667 -4.529 1.00 0.00 C ATOM 772 CE1 PHE A 47 8.423 1.628 -2.354 1.00 0.00 C ATOM 773 CE2 PHE A 47 7.758 1.833 -4.641 1.00 0.00 C ATOM 774 CZ PHE A 47 8.459 2.314 -3.552 1.00 0.00 C ATOM 0 H PHE A 47 4.266 -2.743 -1.406 1.00 0.00 H new ATOM 0 HA PHE A 47 4.664 -0.033 -2.364 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.744 -2.017 -2.618 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.058 -1.732 -4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.665 -0.069 -1.308 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.478 0.295 -5.384 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.969 2.002 -1.501 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.783 2.368 -5.579 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.034 3.224 -3.637 1.00 0.00 H new ATOM 784 N VAL A 48 3.071 -0.560 -4.194 1.00 0.00 N ATOM 785 CA VAL A 48 2.009 -0.845 -5.152 1.00 0.00 C ATOM 786 C VAL A 48 2.314 -0.219 -6.509 1.00 0.00 C ATOM 787 O VAL A 48 3.074 0.745 -6.603 1.00 0.00 O ATOM 788 CB VAL A 48 0.647 -0.326 -4.652 1.00 0.00 C ATOM 789 CG1 VAL A 48 -0.466 -0.740 -5.604 1.00 0.00 C ATOM 790 CG2 VAL A 48 0.365 -0.830 -3.244 1.00 0.00 C ATOM 0 H VAL A 48 3.268 0.433 -4.067 1.00 0.00 H new ATOM 0 HA VAL A 48 1.958 -1.929 -5.257 1.00 0.00 H new ATOM 0 HB VAL A 48 0.685 0.763 -4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.420 -0.364 -5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.272 -0.325 -6.593 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.505 -1.827 -5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.601 -0.453 -2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.349 -1.920 -3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.145 -0.479 -2.569 1.00 0.00 H new ATOM 800 N GLU A 49 1.716 -0.775 -7.558 1.00 0.00 N ATOM 801 CA GLU A 49 1.923 -0.271 -8.912 1.00 0.00 C ATOM 802 C GLU A 49 0.606 0.188 -9.528 1.00 0.00 C ATOM 803 O GLU A 49 -0.278 -0.623 -9.803 1.00 0.00 O ATOM 804 CB GLU A 49 2.559 -1.353 -9.789 1.00 0.00 C ATOM 805 CG GLU A 49 2.996 -0.849 -11.155 1.00 0.00 C ATOM 806 CD GLU A 49 3.530 -1.957 -12.040 1.00 0.00 C ATOM 807 OE1 GLU A 49 4.001 -2.978 -11.496 1.00 0.00 O ATOM 808 OE2 GLU A 49 3.476 -1.805 -13.279 1.00 0.00 O ATOM 0 H GLU A 49 1.085 -1.574 -7.497 1.00 0.00 H new ATOM 0 HA GLU A 49 2.596 0.585 -8.856 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.423 -1.768 -9.270 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.846 -2.167 -9.922 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.151 -0.370 -11.649 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.765 -0.087 -11.028 1.00 0.00 H new ATOM 815 N MET A 50 0.480 1.494 -9.740 1.00 0.00 N ATOM 816 CA MET A 50 -0.730 2.061 -10.323 1.00 0.00 C ATOM 817 C MET A 50 -0.398 3.250 -11.221 1.00 0.00 C ATOM 818 O MET A 50 0.729 3.744 -11.222 1.00 0.00 O ATOM 819 CB MET A 50 -1.698 2.494 -9.220 1.00 0.00 C ATOM 820 CG MET A 50 -2.307 1.332 -8.454 1.00 0.00 C ATOM 821 SD MET A 50 -3.795 1.799 -7.550 1.00 0.00 S ATOM 822 CE MET A 50 -5.064 1.089 -8.596 1.00 0.00 C ATOM 0 H MET A 50 1.201 2.180 -9.517 1.00 0.00 H new ATOM 0 HA MET A 50 -1.204 1.291 -10.932 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.171 3.143 -8.520 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.499 3.086 -9.663 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.547 0.529 -9.151 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.570 0.937 -7.754 1.00 0.00 H new ATOM 0 HE1 MET A 50 -6.046 1.384 -8.227 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.937 1.448 -9.617 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.982 0.002 -8.581 1.00 0.00 H new ATOM 832 N GLN A 51 -1.389 3.703 -11.981 1.00 0.00 N ATOM 833 CA GLN A 51 -1.205 4.835 -12.883 1.00 0.00 C ATOM 834 C GLN A 51 -1.084 6.138 -12.100 1.00 0.00 C ATOM 835 O GLN A 51 -1.489 6.217 -10.941 1.00 0.00 O ATOM 836 CB GLN A 51 -2.371 4.924 -13.868 1.00 0.00 C ATOM 837 CG GLN A 51 -2.660 3.617 -14.587 1.00 0.00 C ATOM 838 CD GLN A 51 -1.849 3.459 -15.857 1.00 0.00 C ATOM 839 OE1 GLN A 51 -0.905 2.670 -15.910 1.00 0.00 O ATOM 840 NE2 GLN A 51 -2.212 4.211 -16.889 1.00 0.00 N ATOM 0 H GLN A 51 -2.328 3.304 -11.991 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.281 4.679 -13.440 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.266 5.240 -13.332 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.154 5.695 -14.607 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.446 2.784 -13.918 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.721 3.567 -14.830 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.001 4.852 -16.801 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.702 4.148 -17.770 1.00 0.00 H new ATOM 849 N GLU A 52 -0.525 7.160 -12.743 1.00 0.00 N ATOM 850 CA GLU A 52 -0.353 8.460 -12.105 1.00 0.00 C ATOM 851 C GLU A 52 -1.642 9.275 -12.172 1.00 0.00 C ATOM 852 O GLU A 52 -1.669 10.372 -12.732 1.00 0.00 O ATOM 853 CB GLU A 52 0.790 9.231 -12.770 1.00 0.00 C ATOM 854 CG GLU A 52 0.626 9.386 -14.273 1.00 0.00 C ATOM 855 CD GLU A 52 1.310 10.630 -14.808 1.00 0.00 C ATOM 856 OE1 GLU A 52 1.582 11.549 -14.007 1.00 0.00 O ATOM 857 OE2 GLU A 52 1.574 10.684 -16.028 1.00 0.00 O ATOM 0 H GLU A 52 -0.184 7.112 -13.703 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.106 8.293 -11.057 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.862 10.220 -12.317 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.730 8.718 -12.567 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.035 8.508 -14.772 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.436 9.426 -14.517 1.00 0.00 H new ATOM 864 N GLU A 53 -2.708 8.731 -11.596 1.00 0.00 N ATOM 865 CA GLU A 53 -4.001 9.407 -11.585 1.00 0.00 C ATOM 866 C GLU A 53 -4.690 9.232 -10.237 1.00 0.00 C ATOM 867 O GLU A 53 -5.199 10.192 -9.659 1.00 0.00 O ATOM 868 CB GLU A 53 -4.893 8.862 -12.702 1.00 0.00 C ATOM 869 CG GLU A 53 -5.901 9.874 -13.223 1.00 0.00 C ATOM 870 CD GLU A 53 -5.533 10.414 -14.591 1.00 0.00 C ATOM 871 OE1 GLU A 53 -5.827 9.734 -15.597 1.00 0.00 O ATOM 872 OE2 GLU A 53 -4.951 11.518 -14.658 1.00 0.00 O ATOM 0 H GLU A 53 -2.703 7.824 -11.130 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.831 10.471 -11.752 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.264 8.529 -13.528 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.427 7.986 -12.335 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.885 9.408 -13.273 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.976 10.702 -12.518 1.00 0.00 H new ATOM 879 N SER A 54 -4.700 8.000 -9.741 1.00 0.00 N ATOM 880 CA SER A 54 -5.325 7.695 -8.459 1.00 0.00 C ATOM 881 C SER A 54 -4.324 7.837 -7.313 1.00 0.00 C ATOM 882 O SER A 54 -4.714 7.983 -6.155 1.00 0.00 O ATOM 883 CB SER A 54 -5.904 6.280 -8.473 1.00 0.00 C ATOM 884 OG SER A 54 -7.271 6.291 -8.845 1.00 0.00 O ATOM 0 H SER A 54 -4.282 7.195 -10.208 1.00 0.00 H new ATOM 0 HA SER A 54 -6.133 8.409 -8.301 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.340 5.660 -9.169 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.796 5.830 -7.486 1.00 0.00 H new ATOM 0 HG SER A 54 -7.617 5.374 -8.848 1.00 0.00 H new ATOM 890 N VAL A 55 -3.035 7.790 -7.640 1.00 0.00 N ATOM 891 CA VAL A 55 -1.987 7.911 -6.633 1.00 0.00 C ATOM 892 C VAL A 55 -2.008 9.289 -5.979 1.00 0.00 C ATOM 893 O VAL A 55 -1.841 9.414 -4.765 1.00 0.00 O ATOM 894 CB VAL A 55 -0.592 7.662 -7.240 1.00 0.00 C ATOM 895 CG1 VAL A 55 0.478 7.690 -6.159 1.00 0.00 C ATOM 896 CG2 VAL A 55 -0.564 6.339 -7.990 1.00 0.00 C ATOM 0 H VAL A 55 -2.693 7.669 -8.593 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.186 7.151 -5.877 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.380 8.462 -7.949 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.455 7.512 -6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.476 8.664 -5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.271 6.914 -5.422 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.429 6.181 -8.411 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.801 5.526 -7.303 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.300 6.361 -8.794 1.00 0.00 H new ATOM 906 N SER A 56 -2.210 10.323 -6.789 1.00 0.00 N ATOM 907 CA SER A 56 -2.247 11.693 -6.288 1.00 0.00 C ATOM 908 C SER A 56 -3.324 11.860 -5.219 1.00 0.00 C ATOM 909 O SER A 56 -3.074 12.430 -4.157 1.00 0.00 O ATOM 910 CB SER A 56 -2.498 12.670 -7.438 1.00 0.00 C ATOM 911 OG SER A 56 -1.387 12.723 -8.315 1.00 0.00 O ATOM 0 H SER A 56 -2.351 10.239 -7.796 1.00 0.00 H new ATOM 0 HA SER A 56 -1.280 11.912 -5.836 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.387 12.365 -7.990 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.697 13.664 -7.038 1.00 0.00 H new ATOM 0 HG SER A 56 -1.574 13.353 -9.042 1.00 0.00 H new ATOM 917 N GLU A 57 -4.522 11.363 -5.508 1.00 0.00 N ATOM 918 CA GLU A 57 -5.636 11.462 -4.571 1.00 0.00 C ATOM 919 C GLU A 57 -5.577 10.350 -3.527 1.00 0.00 C ATOM 920 O GLU A 57 -6.054 10.514 -2.405 1.00 0.00 O ATOM 921 CB GLU A 57 -6.968 11.400 -5.322 1.00 0.00 C ATOM 922 CG GLU A 57 -7.572 12.766 -5.603 1.00 0.00 C ATOM 923 CD GLU A 57 -9.079 12.782 -5.443 1.00 0.00 C ATOM 924 OE1 GLU A 57 -9.731 11.803 -5.863 1.00 0.00 O ATOM 925 OE2 GLU A 57 -9.608 13.772 -4.896 1.00 0.00 O ATOM 0 H GLU A 57 -4.747 10.888 -6.382 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.558 12.420 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.819 10.877 -6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.677 10.811 -4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.131 13.500 -4.928 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.315 13.071 -6.617 1.00 0.00 H new ATOM 932 N ALA A 58 -4.992 9.218 -3.904 1.00 0.00 N ATOM 933 CA ALA A 58 -4.876 8.079 -3.001 1.00 0.00 C ATOM 934 C ALA A 58 -4.115 8.452 -1.732 1.00 0.00 C ATOM 935 O ALA A 58 -4.484 8.042 -0.638 1.00 0.00 O ATOM 936 CB ALA A 58 -4.194 6.915 -3.702 1.00 0.00 C ATOM 0 H ALA A 58 -4.591 9.065 -4.829 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.883 7.777 -2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.115 6.072 -3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.781 6.620 -4.572 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.197 7.217 -4.022 1.00 0.00 H new ATOM 942 N ILE A 59 -3.050 9.227 -1.890 1.00 0.00 N ATOM 943 CA ILE A 59 -2.232 9.655 -0.757 1.00 0.00 C ATOM 944 C ILE A 59 -2.737 10.977 -0.180 1.00 0.00 C ATOM 945 O ILE A 59 -2.495 11.293 0.984 1.00 0.00 O ATOM 946 CB ILE A 59 -0.752 9.811 -1.176 1.00 0.00 C ATOM 947 CG1 ILE A 59 -0.225 8.498 -1.758 1.00 0.00 C ATOM 948 CG2 ILE A 59 0.108 10.255 0.001 1.00 0.00 C ATOM 949 CD1 ILE A 59 0.252 8.620 -3.190 1.00 0.00 C ATOM 0 H ILE A 59 -2.730 9.574 -2.794 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.309 8.884 0.009 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.696 10.584 -1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.597 8.140 -1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.012 7.746 -1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.144 10.356 -0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.252 11.214 0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.048 9.512 0.796 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.612 7.652 -3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.573 8.948 -3.822 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.061 9.348 -3.243 1.00 0.00 H new ATOM 961 N ALA A 60 -3.424 11.750 -1.011 1.00 0.00 N ATOM 962 CA ALA A 60 -3.948 13.050 -0.606 1.00 0.00 C ATOM 963 C ALA A 60 -4.987 12.949 0.510 1.00 0.00 C ATOM 964 O ALA A 60 -4.887 13.642 1.523 1.00 0.00 O ATOM 965 CB ALA A 60 -4.553 13.755 -1.808 1.00 0.00 C ATOM 0 H ALA A 60 -3.633 11.498 -1.977 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.110 13.625 -0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.943 14.726 -1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.787 13.896 -2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.363 13.150 -2.215 1.00 0.00 H new ATOM 971 N LYS A 61 -5.998 12.111 0.311 1.00 0.00 N ATOM 972 CA LYS A 61 -7.067 11.959 1.296 1.00 0.00 C ATOM 973 C LYS A 61 -6.763 10.861 2.310 1.00 0.00 C ATOM 974 O LYS A 61 -7.367 10.814 3.381 1.00 0.00 O ATOM 975 CB LYS A 61 -8.392 11.660 0.592 1.00 0.00 C ATOM 976 CG LYS A 61 -9.219 12.902 0.300 1.00 0.00 C ATOM 977 CD LYS A 61 -8.509 13.827 -0.675 1.00 0.00 C ATOM 978 CE LYS A 61 -9.479 14.798 -1.329 1.00 0.00 C ATOM 979 NZ LYS A 61 -9.453 16.137 -0.675 1.00 0.00 N ATOM 0 H LYS A 61 -6.102 11.528 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.142 12.900 1.840 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.187 11.141 -0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.978 10.981 1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.185 12.609 -0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.418 13.435 1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.733 14.384 -0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.012 13.235 -1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.229 14.905 -2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.489 14.390 -1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.128 16.769 -1.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.717 16.039 0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.496 16.538 -0.744 1.00 0.00 H new ATOM 993 N LEU A 62 -5.844 9.971 1.965 1.00 0.00 N ATOM 994 CA LEU A 62 -5.493 8.869 2.851 1.00 0.00 C ATOM 995 C LEU A 62 -4.354 9.242 3.796 1.00 0.00 C ATOM 996 O LEU A 62 -4.563 9.403 4.998 1.00 0.00 O ATOM 997 CB LEU A 62 -5.106 7.649 2.024 1.00 0.00 C ATOM 998 CG LEU A 62 -6.220 7.099 1.131 1.00 0.00 C ATOM 999 CD1 LEU A 62 -5.757 5.840 0.415 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -7.472 6.820 1.950 1.00 0.00 C ATOM 0 H LEU A 62 -5.330 9.989 1.084 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.366 8.639 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.252 7.908 1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.778 6.859 2.699 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.462 7.851 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.562 5.463 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.890 6.071 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.487 5.082 1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.254 6.429 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.245 6.087 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.816 7.744 2.415 1.00 0.00 H new ATOM 1012 N ASP A 63 -3.150 9.366 3.247 1.00 0.00 N ATOM 1013 CA ASP A 63 -1.973 9.705 4.043 1.00 0.00 C ATOM 1014 C ASP A 63 -2.254 10.870 4.994 1.00 0.00 C ATOM 1015 O ASP A 63 -2.872 11.864 4.610 1.00 0.00 O ATOM 1016 CB ASP A 63 -0.786 10.019 3.118 1.00 0.00 C ATOM 1017 CG ASP A 63 -0.378 11.484 3.125 1.00 0.00 C ATOM 1018 OD1 ASP A 63 -1.233 12.340 2.821 1.00 0.00 O ATOM 1019 OD2 ASP A 63 0.797 11.770 3.435 1.00 0.00 O ATOM 0 H ASP A 63 -2.962 9.237 2.253 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.718 8.843 4.660 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.068 9.412 3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.043 9.727 2.100 1.00 0.00 H new ATOM 1024 N ASN A 64 -1.796 10.734 6.234 1.00 0.00 N ATOM 1025 CA ASN A 64 -1.994 11.767 7.243 1.00 0.00 C ATOM 1026 C ASN A 64 -1.310 11.384 8.551 1.00 0.00 C ATOM 1027 O ASN A 64 -0.588 12.186 9.144 1.00 0.00 O ATOM 1028 CB ASN A 64 -3.487 11.999 7.483 1.00 0.00 C ATOM 1029 CG ASN A 64 -3.760 13.307 8.200 1.00 0.00 C ATOM 1030 OD1 ASN A 64 -3.132 14.327 7.917 1.00 0.00 O ATOM 1031 ND2 ASN A 64 -4.702 13.283 9.135 1.00 0.00 N ATOM 0 H ASN A 64 -1.284 9.916 6.564 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.547 12.690 6.875 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.011 11.995 6.527 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.890 11.174 8.071 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.930 14.133 9.651 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.198 12.415 9.337 1.00 0.00 H new ATOM 1038 N THR A 65 -1.541 10.153 8.996 1.00 0.00 N ATOM 1039 CA THR A 65 -0.946 9.663 10.234 1.00 0.00 C ATOM 1040 C THR A 65 -1.035 8.142 10.318 1.00 0.00 C ATOM 1041 O THR A 65 -1.476 7.483 9.376 1.00 0.00 O ATOM 1042 CB THR A 65 -1.638 10.296 11.443 1.00 0.00 C ATOM 1043 OG1 THR A 65 -2.949 10.711 11.108 1.00 0.00 O ATOM 1044 CG2 THR A 65 -0.900 11.498 11.991 1.00 0.00 C ATOM 0 H THR A 65 -2.136 9.477 8.518 1.00 0.00 H new ATOM 0 HA THR A 65 0.107 9.946 10.238 1.00 0.00 H new ATOM 0 HB THR A 65 -1.654 9.520 12.208 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.376 11.112 11.894 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.443 11.899 12.847 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.100 11.199 12.304 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.825 12.262 11.218 1.00 0.00 H new ATOM 1052 N ASP A 66 -0.613 7.591 11.451 1.00 0.00 N ATOM 1053 CA ASP A 66 -0.643 6.148 11.660 1.00 0.00 C ATOM 1054 C ASP A 66 -1.959 5.717 12.302 1.00 0.00 C ATOM 1055 O ASP A 66 -2.241 6.060 13.450 1.00 0.00 O ATOM 1056 CB ASP A 66 0.532 5.713 12.538 1.00 0.00 C ATOM 1057 CG ASP A 66 0.585 6.473 13.849 1.00 0.00 C ATOM 1058 OD1 ASP A 66 0.681 7.717 13.811 1.00 0.00 O ATOM 1059 OD2 ASP A 66 0.530 5.822 14.914 1.00 0.00 O ATOM 0 H ASP A 66 -0.246 8.123 12.240 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.559 5.665 10.687 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.453 4.645 12.743 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.464 5.866 11.995 1.00 0.00 H new ATOM 1064 N PHE A 67 -2.758 4.962 11.554 1.00 0.00 N ATOM 1065 CA PHE A 67 -4.043 4.484 12.051 1.00 0.00 C ATOM 1066 C PHE A 67 -4.191 2.983 11.823 1.00 0.00 C ATOM 1067 O PHE A 67 -3.241 2.309 11.424 1.00 0.00 O ATOM 1068 CB PHE A 67 -5.188 5.234 11.365 1.00 0.00 C ATOM 1069 CG PHE A 67 -5.830 6.275 12.237 1.00 0.00 C ATOM 1070 CD1 PHE A 67 -5.062 7.242 12.864 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -7.203 6.283 12.429 1.00 0.00 C ATOM 1072 CE1 PHE A 67 -5.651 8.200 13.667 1.00 0.00 C ATOM 1073 CE2 PHE A 67 -7.798 7.240 13.231 1.00 0.00 C ATOM 1074 CZ PHE A 67 -7.021 8.199 13.851 1.00 0.00 C ATOM 0 H PHE A 67 -2.538 4.668 10.602 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.084 4.674 13.123 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.809 5.712 10.462 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.946 4.516 11.052 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.991 7.247 12.724 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.814 5.534 11.947 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -5.041 8.949 14.150 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.869 7.237 13.372 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.483 8.947 14.478 1.00 0.00 H new ATOM 1084 N MET A 68 -5.388 2.466 12.079 1.00 0.00 N ATOM 1085 CA MET A 68 -5.661 1.045 11.902 1.00 0.00 C ATOM 1086 C MET A 68 -6.159 0.758 10.487 1.00 0.00 C ATOM 1087 O MET A 68 -7.194 0.120 10.298 1.00 0.00 O ATOM 1088 CB MET A 68 -6.695 0.571 12.926 1.00 0.00 C ATOM 1089 CG MET A 68 -6.248 0.750 14.368 1.00 0.00 C ATOM 1090 SD MET A 68 -6.504 2.430 14.971 1.00 0.00 S ATOM 1091 CE MET A 68 -4.961 2.718 15.833 1.00 0.00 C ATOM 0 H MET A 68 -6.185 3.010 12.410 1.00 0.00 H new ATOM 0 HA MET A 68 -4.730 0.500 12.057 1.00 0.00 H new ATOM 0 HB2 MET A 68 -7.625 1.119 12.772 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.913 -0.482 12.750 1.00 0.00 H new ATOM 0 HG2 MET A 68 -6.795 0.053 15.003 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.191 0.495 14.451 1.00 0.00 H new ATOM 0 HE1 MET A 68 -4.966 3.720 16.263 1.00 0.00 H new ATOM 0 HE2 MET A 68 -4.846 1.982 16.629 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.131 2.628 15.133 1.00 0.00 H new ATOM 1101 N GLY A 69 -5.412 1.236 9.496 1.00 0.00 N ATOM 1102 CA GLY A 69 -5.791 1.022 8.112 1.00 0.00 C ATOM 1103 C GLY A 69 -6.797 2.045 7.622 1.00 0.00 C ATOM 1104 O GLY A 69 -7.708 1.715 6.861 1.00 0.00 O ATOM 0 H GLY A 69 -4.551 1.767 9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.901 1.063 7.484 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.212 0.022 8.004 1.00 0.00 H new ATOM 1108 N ARG A 70 -6.633 3.291 8.055 1.00 0.00 N ATOM 1109 CA ARG A 70 -7.533 4.366 7.653 1.00 0.00 C ATOM 1110 C ARG A 70 -6.790 5.429 6.850 1.00 0.00 C ATOM 1111 O ARG A 70 -7.213 5.804 5.757 1.00 0.00 O ATOM 1112 CB ARG A 70 -8.188 4.999 8.884 1.00 0.00 C ATOM 1113 CG ARG A 70 -9.699 4.839 8.921 1.00 0.00 C ATOM 1114 CD ARG A 70 -10.349 5.386 7.659 1.00 0.00 C ATOM 1115 NE ARG A 70 -11.589 6.103 7.949 1.00 0.00 N ATOM 1116 CZ ARG A 70 -11.632 7.329 8.468 1.00 0.00 C ATOM 1117 NH1 ARG A 70 -10.509 7.975 8.755 1.00 0.00 N ATOM 1118 NH2 ARG A 70 -12.801 7.909 8.699 1.00 0.00 N ATOM 0 H ARG A 70 -5.885 3.581 8.685 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.309 3.938 7.019 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.762 4.552 9.782 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.943 6.061 8.910 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.952 3.785 9.034 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.100 5.358 9.792 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.653 6.055 7.153 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.557 4.565 6.973 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.473 5.638 7.742 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.607 7.533 8.578 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.548 8.914 9.152 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.667 7.417 8.479 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.835 8.848 9.096 1.00 0.00 H new ATOM 1132 N THR A 71 -5.679 5.910 7.399 1.00 0.00 N ATOM 1133 CA THR A 71 -4.877 6.931 6.732 1.00 0.00 C ATOM 1134 C THR A 71 -3.485 6.398 6.399 1.00 0.00 C ATOM 1135 O THR A 71 -3.049 6.456 5.250 1.00 0.00 O ATOM 1136 CB THR A 71 -4.768 8.187 7.605 1.00 0.00 C ATOM 1137 OG1 THR A 71 -3.627 8.949 7.251 1.00 0.00 O ATOM 1138 CG2 THR A 71 -4.679 7.891 9.088 1.00 0.00 C ATOM 0 H THR A 71 -5.314 5.610 8.303 1.00 0.00 H new ATOM 0 HA THR A 71 -5.376 7.196 5.800 1.00 0.00 H new ATOM 0 HB THR A 71 -5.689 8.740 7.419 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.566 9.012 6.275 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.604 8.827 9.642 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.571 7.352 9.406 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.797 7.281 9.285 1.00 0.00 H new ATOM 1146 N ILE A 72 -2.793 5.878 7.409 1.00 0.00 N ATOM 1147 CA ILE A 72 -1.451 5.337 7.216 1.00 0.00 C ATOM 1148 C ILE A 72 -0.515 6.395 6.640 1.00 0.00 C ATOM 1149 O ILE A 72 -0.961 7.437 6.163 1.00 0.00 O ATOM 1150 CB ILE A 72 -1.466 4.113 6.275 1.00 0.00 C ATOM 1151 CG1 ILE A 72 -2.707 3.254 6.528 1.00 0.00 C ATOM 1152 CG2 ILE A 72 -0.201 3.287 6.458 1.00 0.00 C ATOM 1153 CD1 ILE A 72 -2.837 2.086 5.573 1.00 0.00 C ATOM 0 H ILE A 72 -3.138 5.820 8.367 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.089 5.026 8.196 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.501 4.471 5.246 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.676 2.876 7.550 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.595 3.880 6.447 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.227 2.428 5.788 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.670 3.900 6.228 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.139 2.940 7.490 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.738 1.521 5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.900 2.458 4.550 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.966 1.438 5.670 1.00 0.00 H new ATOM 1165 N ARG A 73 0.786 6.123 6.686 1.00 0.00 N ATOM 1166 CA ARG A 73 1.778 7.056 6.164 1.00 0.00 C ATOM 1167 C ARG A 73 2.082 6.761 4.697 1.00 0.00 C ATOM 1168 O ARG A 73 3.243 6.669 4.298 1.00 0.00 O ATOM 1169 CB ARG A 73 3.065 6.980 6.987 1.00 0.00 C ATOM 1170 CG ARG A 73 3.023 7.805 8.263 1.00 0.00 C ATOM 1171 CD ARG A 73 4.355 8.487 8.532 1.00 0.00 C ATOM 1172 NE ARG A 73 5.141 7.774 9.537 1.00 0.00 N ATOM 1173 CZ ARG A 73 5.920 6.727 9.268 1.00 0.00 C ATOM 1174 NH1 ARG A 73 6.025 6.268 8.027 1.00 0.00 N ATOM 1175 NH2 ARG A 73 6.597 6.138 10.244 1.00 0.00 N ATOM 0 H ARG A 73 1.177 5.266 7.078 1.00 0.00 H new ATOM 0 HA ARG A 73 1.367 8.063 6.238 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.261 5.939 7.244 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.899 7.319 6.373 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.238 8.557 8.185 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.766 7.162 9.105 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.924 8.550 7.604 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.178 9.509 8.868 1.00 0.00 H new ATOM 0 HE ARG A 73 5.090 8.098 10.503 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.507 6.717 7.272 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.623 5.466 7.829 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.521 6.486 11.200 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.194 5.336 10.039 1.00 0.00 H new ATOM 1189 N VAL A 74 1.030 6.612 3.898 1.00 0.00 N ATOM 1190 CA VAL A 74 1.184 6.327 2.476 1.00 0.00 C ATOM 1191 C VAL A 74 1.810 7.509 1.742 1.00 0.00 C ATOM 1192 O VAL A 74 1.723 8.650 2.194 1.00 0.00 O ATOM 1193 CB VAL A 74 -0.170 5.982 1.826 1.00 0.00 C ATOM 1194 CG1 VAL A 74 -1.139 7.147 1.947 1.00 0.00 C ATOM 1195 CG2 VAL A 74 0.019 5.582 0.369 1.00 0.00 C ATOM 0 H VAL A 74 0.062 6.684 4.211 1.00 0.00 H new ATOM 0 HA VAL A 74 1.847 5.465 2.393 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.597 5.132 2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.088 6.881 1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.303 7.376 3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.722 8.021 1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.949 5.342 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.472 6.408 -0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.669 4.709 0.313 1.00 0.00 H new ATOM 1205 N THR A 75 2.442 7.227 0.608 1.00 0.00 N ATOM 1206 CA THR A 75 3.083 8.268 -0.187 1.00 0.00 C ATOM 1207 C THR A 75 3.442 7.748 -1.575 1.00 0.00 C ATOM 1208 O THR A 75 3.572 6.542 -1.783 1.00 0.00 O ATOM 1209 CB THR A 75 4.339 8.777 0.520 1.00 0.00 C ATOM 1210 OG1 THR A 75 5.078 9.639 -0.328 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.267 7.667 0.968 1.00 0.00 C ATOM 0 H THR A 75 2.524 6.288 0.219 1.00 0.00 H new ATOM 0 HA THR A 75 2.378 9.092 -0.298 1.00 0.00 H new ATOM 0 HB THR A 75 3.978 9.305 1.403 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.877 9.955 0.143 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.138 8.098 1.462 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.742 7.012 1.664 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.590 7.091 0.101 1.00 0.00 H new ATOM 1219 N GLU A 76 3.600 8.667 -2.522 1.00 0.00 N ATOM 1220 CA GLU A 76 3.943 8.303 -3.892 1.00 0.00 C ATOM 1221 C GLU A 76 5.450 8.132 -4.049 1.00 0.00 C ATOM 1222 O GLU A 76 6.226 9.015 -3.684 1.00 0.00 O ATOM 1223 CB GLU A 76 3.435 9.368 -4.866 1.00 0.00 C ATOM 1224 CG GLU A 76 3.890 10.777 -4.520 1.00 0.00 C ATOM 1225 CD GLU A 76 2.732 11.731 -4.308 1.00 0.00 C ATOM 1226 OE1 GLU A 76 2.110 12.143 -5.310 1.00 0.00 O ATOM 1227 OE2 GLU A 76 2.445 12.066 -3.139 1.00 0.00 O ATOM 0 H GLU A 76 3.496 9.670 -2.366 1.00 0.00 H new ATOM 0 HA GLU A 76 3.462 7.352 -4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.777 9.122 -5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.345 9.341 -4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.500 10.746 -3.617 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.525 11.156 -5.320 1.00 0.00 H new ATOM 1234 N ALA A 77 5.857 6.991 -4.596 1.00 0.00 N ATOM 1235 CA ALA A 77 7.271 6.704 -4.802 1.00 0.00 C ATOM 1236 C ALA A 77 7.736 7.190 -6.171 1.00 0.00 C ATOM 1237 O ALA A 77 6.901 7.232 -7.098 1.00 0.00 O ATOM 1238 CB ALA A 77 7.535 5.214 -4.651 1.00 0.00 C ATOM 0 H ALA A 77 5.227 6.250 -4.904 1.00 0.00 H new ATOM 0 HA ALA A 77 7.840 7.241 -4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.595 5.015 -4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.250 4.894 -3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.950 4.664 -5.388 1.00 0.00 H new TER 1244 ALA A 77