USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 708 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: B 39 SER OG : rot 45:sc= 0.175 USER MOD Set 1.2: B 42 GLN : amide:sc= -0.463 X(o=-0.29,f=-0.29) USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0.2 USER MOD Set 2.2: A 59 SER OG : rot 147:sc= 0.209 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.24) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN :FLIP amide:sc= 0 F(o=-0.56!,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -174:sc= -0.203 (180deg=-0.32) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 141:sc= 1.23 (180deg=0.464) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -178:sc= 1.13 (180deg=1.09) USER MOD Single : B 31 THR OG1 : rot 23:sc= 0.169 USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= 1.09 K(o=1.1,f=-6.7!) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 MET CE :methyl 172:sc= 0 (180deg=-0.127) USER MOD Single : B 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 SER OG : rot -90:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 60 TYR OH : rot 180:sc= 0 USER MOD Single : B 62 LYS NZ :NH3+ -159:sc= 1.03 (180deg=0.73) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ 176:sc= 0.0831 (180deg=0.0812) USER MOD Single : B 71 LYS NZ :NH3+ 166:sc= 1.02 (180deg=0.861) USER MOD ----------------------------------------------------------------- ATOM 15 N ARG A 32 -7.301 11.006 -11.098 1.00 0.00 N ATOM 16 CA ARG A 32 -6.374 11.006 -9.958 1.00 0.00 C ATOM 17 C ARG A 32 -4.946 10.648 -10.370 1.00 0.00 C ATOM 18 O ARG A 32 -4.694 10.236 -11.500 1.00 0.00 O ATOM 19 CB ARG A 32 -6.904 10.063 -8.859 1.00 0.00 C ATOM 20 CG ARG A 32 -7.068 10.823 -7.539 1.00 0.00 C ATOM 21 CD ARG A 32 -8.350 11.662 -7.507 1.00 0.00 C ATOM 22 NE ARG A 32 -9.521 10.804 -7.241 1.00 0.00 N ATOM 23 CZ ARG A 32 -10.765 10.956 -7.658 1.00 0.00 C ATOM 24 NH1 ARG A 32 -11.117 11.878 -8.502 1.00 0.00 N ATOM 25 NH2 ARG A 32 -11.700 10.160 -7.240 1.00 0.00 N ATOM 0 HA ARG A 32 -6.325 12.019 -9.559 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.861 9.640 -9.164 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.216 9.229 -8.723 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.080 10.113 -6.712 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.207 11.474 -7.387 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.271 12.429 -6.737 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.478 12.178 -8.459 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.347 9.985 -6.658 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.420 12.524 -8.872 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.091 11.956 -8.795 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.477 9.411 -6.585 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.658 10.283 -7.566 1.00 0.00 H new ATOM 39 N ALA A 33 -4.021 10.786 -9.425 1.00 0.00 N ATOM 40 CA ALA A 33 -2.599 10.496 -9.577 1.00 0.00 C ATOM 41 C ALA A 33 -2.089 9.630 -8.412 1.00 0.00 C ATOM 42 O ALA A 33 -2.391 9.900 -7.246 1.00 0.00 O ATOM 43 CB ALA A 33 -1.850 11.831 -9.674 1.00 0.00 C ATOM 0 H ALA A 33 -4.253 11.118 -8.489 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.423 9.920 -10.485 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.783 11.642 -9.788 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.214 12.391 -10.536 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.021 12.411 -8.767 1.00 0.00 H new ATOM 49 N VAL A 34 -1.302 8.600 -8.727 1.00 0.00 N ATOM 50 CA VAL A 34 -0.643 7.688 -7.778 1.00 0.00 C ATOM 51 C VAL A 34 0.825 7.587 -8.160 1.00 0.00 C ATOM 52 O VAL A 34 1.191 6.832 -9.056 1.00 0.00 O ATOM 53 CB VAL A 34 -1.331 6.311 -7.714 1.00 0.00 C ATOM 54 CG1 VAL A 34 -0.603 5.347 -6.768 1.00 0.00 C ATOM 55 CG2 VAL A 34 -2.771 6.436 -7.198 1.00 0.00 C ATOM 0 H VAL A 34 -1.094 8.364 -9.697 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.727 8.090 -6.769 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.312 5.923 -8.733 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.123 4.389 -6.754 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.420 5.200 -7.115 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.588 5.766 -5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.232 5.449 -7.163 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.763 6.868 -6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.342 7.080 -7.866 1.00 0.00 H new ATOM 65 N SER A 35 1.648 8.410 -7.515 1.00 0.00 N ATOM 66 CA SER A 35 3.057 8.647 -7.840 1.00 0.00 C ATOM 67 C SER A 35 3.969 8.127 -6.741 1.00 0.00 C ATOM 68 O SER A 35 3.933 8.608 -5.605 1.00 0.00 O ATOM 69 CB SER A 35 3.293 10.130 -8.112 1.00 0.00 C ATOM 70 OG SER A 35 4.636 10.370 -8.502 1.00 0.00 O ATOM 0 H SER A 35 1.338 8.958 -6.712 1.00 0.00 H new ATOM 0 HA SER A 35 3.302 8.094 -8.747 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.617 10.471 -8.896 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.062 10.708 -7.217 1.00 0.00 H new ATOM 0 HG SER A 35 4.761 11.327 -8.672 1.00 0.00 H new ATOM 76 N LEU A 36 4.737 7.088 -7.071 1.00 0.00 N ATOM 77 CA LEU A 36 5.397 6.211 -6.108 1.00 0.00 C ATOM 78 C LEU A 36 6.865 5.944 -6.451 1.00 0.00 C ATOM 79 O LEU A 36 7.360 6.277 -7.529 1.00 0.00 O ATOM 80 CB LEU A 36 4.599 4.898 -6.031 1.00 0.00 C ATOM 81 CG LEU A 36 3.174 5.062 -5.480 1.00 0.00 C ATOM 82 CD1 LEU A 36 2.465 3.731 -5.641 1.00 0.00 C ATOM 83 CD2 LEU A 36 3.150 5.436 -3.996 1.00 0.00 C ATOM 0 H LEU A 36 4.921 6.828 -8.040 1.00 0.00 H new ATOM 0 HA LEU A 36 5.411 6.708 -5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.544 4.460 -7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.141 4.192 -5.402 1.00 0.00 H new ATOM 0 HG LEU A 36 2.690 5.869 -6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.448 3.812 -5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.436 3.460 -6.696 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.002 2.963 -5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.117 5.538 -3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.643 4.656 -3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.673 6.381 -3.850 1.00 0.00 H new ATOM 95 N TYR A 37 7.542 5.314 -5.494 1.00 0.00 N ATOM 96 CA TYR A 37 8.985 5.148 -5.428 1.00 0.00 C ATOM 97 C TYR A 37 9.324 3.662 -5.283 1.00 0.00 C ATOM 98 O TYR A 37 9.412 3.126 -4.175 1.00 0.00 O ATOM 99 CB TYR A 37 9.523 6.028 -4.288 1.00 0.00 C ATOM 100 CG TYR A 37 9.507 7.508 -4.630 1.00 0.00 C ATOM 101 CD1 TYR A 37 8.342 8.282 -4.453 1.00 0.00 C ATOM 102 CD2 TYR A 37 10.654 8.096 -5.193 1.00 0.00 C ATOM 103 CE1 TYR A 37 8.317 9.628 -4.868 1.00 0.00 C ATOM 104 CE2 TYR A 37 10.645 9.442 -5.593 1.00 0.00 C ATOM 105 CZ TYR A 37 9.471 10.214 -5.439 1.00 0.00 C ATOM 106 OH TYR A 37 9.441 11.516 -5.838 1.00 0.00 O ATOM 0 H TYR A 37 7.068 4.883 -4.701 1.00 0.00 H new ATOM 0 HA TYR A 37 9.473 5.477 -6.345 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.925 5.860 -3.392 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.543 5.725 -4.052 1.00 0.00 H new ATOM 0 HD1 TYR A 37 7.467 7.842 -3.998 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.550 7.507 -5.319 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.417 10.213 -4.750 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.533 9.886 -6.017 1.00 0.00 H new ATOM 0 HH TYR A 37 10.314 11.765 -6.208 1.00 0.00 H new ATOM 116 N PHE A 38 9.424 2.973 -6.420 1.00 0.00 N ATOM 117 CA PHE A 38 9.842 1.587 -6.539 1.00 0.00 C ATOM 118 C PHE A 38 11.376 1.476 -6.513 1.00 0.00 C ATOM 119 O PHE A 38 12.088 2.477 -6.666 1.00 0.00 O ATOM 120 CB PHE A 38 9.267 1.072 -7.863 1.00 0.00 C ATOM 121 CG PHE A 38 7.782 0.737 -7.812 1.00 0.00 C ATOM 122 CD1 PHE A 38 6.803 1.751 -7.825 1.00 0.00 C ATOM 123 CD2 PHE A 38 7.375 -0.608 -7.740 1.00 0.00 C ATOM 124 CE1 PHE A 38 5.436 1.419 -7.779 1.00 0.00 C ATOM 125 CE2 PHE A 38 6.011 -0.941 -7.691 1.00 0.00 C ATOM 126 CZ PHE A 38 5.039 0.072 -7.713 1.00 0.00 C ATOM 0 H PHE A 38 9.204 3.392 -7.324 1.00 0.00 H new ATOM 0 HA PHE A 38 9.477 0.990 -5.703 1.00 0.00 H new ATOM 0 HB2 PHE A 38 9.432 1.824 -8.634 1.00 0.00 H new ATOM 0 HB3 PHE A 38 9.819 0.181 -8.163 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.103 2.787 -7.870 1.00 0.00 H new ATOM 0 HD2 PHE A 38 8.118 -1.392 -7.722 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.691 2.200 -7.794 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.710 -1.977 -7.636 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.990 -0.183 -7.679 1.00 0.00 H new ATOM 136 N SER A 39 11.885 0.251 -6.368 1.00 0.00 N ATOM 137 CA SER A 39 13.324 -0.029 -6.310 1.00 0.00 C ATOM 138 C SER A 39 13.818 -0.689 -7.587 1.00 0.00 C ATOM 139 O SER A 39 13.021 -1.170 -8.391 1.00 0.00 O ATOM 140 CB SER A 39 13.670 -0.887 -5.083 1.00 0.00 C ATOM 141 OG SER A 39 13.214 -0.272 -3.888 1.00 0.00 O ATOM 0 H SER A 39 11.305 -0.584 -6.287 1.00 0.00 H new ATOM 0 HA SER A 39 13.838 0.927 -6.213 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.217 -1.873 -5.185 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.749 -1.036 -5.031 1.00 0.00 H new ATOM 0 HG SER A 39 13.444 -0.837 -3.121 1.00 0.00 H new ATOM 147 N ASP A 40 15.137 -0.717 -7.783 1.00 0.00 N ATOM 148 CA ASP A 40 15.753 -1.179 -9.026 1.00 0.00 C ATOM 149 C ASP A 40 15.296 -2.588 -9.430 1.00 0.00 C ATOM 150 O ASP A 40 14.927 -2.787 -10.583 1.00 0.00 O ATOM 151 CB ASP A 40 17.284 -1.036 -8.970 1.00 0.00 C ATOM 152 CG ASP A 40 17.981 -2.064 -8.061 1.00 0.00 C ATOM 153 OD1 ASP A 40 17.753 -2.036 -6.829 1.00 0.00 O ATOM 154 OD2 ASP A 40 18.763 -2.893 -8.582 1.00 0.00 O ATOM 0 H ASP A 40 15.811 -0.418 -7.079 1.00 0.00 H new ATOM 0 HA ASP A 40 15.399 -0.527 -9.825 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.684 -1.131 -9.980 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.532 -0.033 -8.622 1.00 0.00 H new ATOM 159 N GLU A 41 15.259 -3.554 -8.509 1.00 0.00 N ATOM 160 CA GLU A 41 14.792 -4.927 -8.764 1.00 0.00 C ATOM 161 C GLU A 41 13.317 -4.970 -9.172 1.00 0.00 C ATOM 162 O GLU A 41 12.959 -5.557 -10.192 1.00 0.00 O ATOM 163 CB GLU A 41 14.974 -5.784 -7.502 1.00 0.00 C ATOM 164 CG GLU A 41 16.435 -5.928 -7.065 1.00 0.00 C ATOM 165 CD GLU A 41 17.079 -7.215 -7.617 1.00 0.00 C ATOM 166 OE1 GLU A 41 17.291 -7.315 -8.850 1.00 0.00 O ATOM 167 OE2 GLU A 41 17.377 -8.139 -6.821 1.00 0.00 O ATOM 0 H GLU A 41 15.558 -3.405 -7.545 1.00 0.00 H new ATOM 0 HA GLU A 41 15.389 -5.319 -9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.401 -5.342 -6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.558 -6.775 -7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.003 -5.063 -7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.489 -5.934 -5.976 1.00 0.00 H new ATOM 174 N GLN A 42 12.463 -4.326 -8.372 1.00 0.00 N ATOM 175 CA GLN A 42 11.016 -4.252 -8.591 1.00 0.00 C ATOM 176 C GLN A 42 10.690 -3.602 -9.949 1.00 0.00 C ATOM 177 O GLN A 42 9.856 -4.108 -10.701 1.00 0.00 O ATOM 178 CB GLN A 42 10.345 -3.510 -7.422 1.00 0.00 C ATOM 179 CG GLN A 42 10.107 -4.373 -6.167 1.00 0.00 C ATOM 180 CD GLN A 42 11.360 -5.016 -5.576 1.00 0.00 C ATOM 181 OE1 GLN A 42 11.724 -6.140 -5.889 1.00 0.00 O ATOM 182 NE2 GLN A 42 12.064 -4.341 -4.694 1.00 0.00 N ATOM 0 H GLN A 42 12.766 -3.830 -7.534 1.00 0.00 H new ATOM 0 HA GLN A 42 10.613 -5.264 -8.624 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.964 -2.656 -7.148 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.388 -3.114 -7.762 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.640 -3.753 -5.402 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.396 -5.161 -6.416 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.774 -3.402 -4.421 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.900 -4.757 -4.282 1.00 0.00 H new ATOM 191 N TYR A 43 11.388 -2.518 -10.306 1.00 0.00 N ATOM 192 CA TYR A 43 11.237 -1.848 -11.602 1.00 0.00 C ATOM 193 C TYR A 43 11.706 -2.710 -12.768 1.00 0.00 C ATOM 194 O TYR A 43 11.042 -2.818 -13.794 1.00 0.00 O ATOM 195 CB TYR A 43 12.057 -0.560 -11.614 1.00 0.00 C ATOM 196 CG TYR A 43 11.593 0.407 -12.687 1.00 0.00 C ATOM 197 CD1 TYR A 43 10.320 1.004 -12.590 1.00 0.00 C ATOM 198 CD2 TYR A 43 12.405 0.664 -13.810 1.00 0.00 C ATOM 199 CE1 TYR A 43 9.867 1.874 -13.602 1.00 0.00 C ATOM 200 CE2 TYR A 43 11.960 1.545 -14.815 1.00 0.00 C ATOM 201 CZ TYR A 43 10.692 2.157 -14.712 1.00 0.00 C ATOM 202 OH TYR A 43 10.275 3.019 -15.679 1.00 0.00 O ATOM 0 H TYR A 43 12.079 -2.078 -9.698 1.00 0.00 H new ATOM 0 HA TYR A 43 10.173 -1.647 -11.726 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.987 -0.078 -10.639 1.00 0.00 H new ATOM 0 HB3 TYR A 43 13.107 -0.802 -11.775 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.690 0.794 -11.738 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.369 0.185 -13.900 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.888 2.324 -13.528 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.591 1.753 -15.667 1.00 0.00 H new ATOM 0 HH TYR A 43 10.968 3.098 -16.368 1.00 0.00 H new ATOM 212 N GLN A 44 12.867 -3.332 -12.594 1.00 0.00 N ATOM 213 CA GLN A 44 13.468 -4.243 -13.575 1.00 0.00 C ATOM 214 C GLN A 44 12.558 -5.435 -13.890 1.00 0.00 C ATOM 215 O GLN A 44 12.404 -5.789 -15.056 1.00 0.00 O ATOM 216 CB GLN A 44 14.847 -4.733 -13.118 1.00 0.00 C ATOM 217 CG GLN A 44 15.950 -3.721 -13.465 1.00 0.00 C ATOM 218 CD GLN A 44 17.281 -4.078 -12.808 1.00 0.00 C ATOM 219 OE1 GLN A 44 17.381 -3.913 -11.509 1.00 0.00 O flip ATOM 220 NE2 GLN A 44 18.240 -4.498 -13.445 1.00 0.00 N flip ATOM 0 H GLN A 44 13.432 -3.218 -11.752 1.00 0.00 H new ATOM 0 HA GLN A 44 13.593 -3.668 -14.493 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.835 -4.904 -12.042 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.069 -5.690 -13.590 1.00 0.00 H new ATOM 0 HG2 GLN A 44 16.079 -3.682 -14.547 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.643 -2.726 -13.144 1.00 0.00 H new ATOM 0 HE21 GLN A 44 18.165 -4.627 -14.454 1.00 0.00 H new ATOM 0 HE22 GLN A 44 19.113 -4.719 -12.966 1.00 0.00 H new ATOM 229 N LYS A 45 11.905 -6.024 -12.882 1.00 0.00 N ATOM 230 CA LYS A 45 10.877 -7.055 -13.043 1.00 0.00 C ATOM 231 C LYS A 45 9.691 -6.557 -13.875 1.00 0.00 C ATOM 232 O LYS A 45 9.239 -7.272 -14.771 1.00 0.00 O ATOM 233 CB LYS A 45 10.443 -7.547 -11.652 1.00 0.00 C ATOM 234 CG LYS A 45 10.984 -8.943 -11.304 1.00 0.00 C ATOM 235 CD LYS A 45 12.507 -8.955 -11.087 1.00 0.00 C ATOM 236 CE LYS A 45 13.063 -10.370 -10.868 1.00 0.00 C ATOM 237 NZ LYS A 45 12.613 -10.975 -9.584 1.00 0.00 N ATOM 0 H LYS A 45 12.083 -5.789 -11.905 1.00 0.00 H new ATOM 0 HA LYS A 45 11.296 -7.893 -13.600 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.784 -6.835 -10.900 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.354 -7.565 -11.604 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.490 -9.305 -10.402 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.730 -9.636 -12.106 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.997 -8.506 -11.951 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.752 -8.335 -10.224 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.752 -11.009 -11.694 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.152 -10.334 -10.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.018 -11.928 -9.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.932 -10.383 -8.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.575 -11.037 -9.575 1.00 0.00 H new ATOM 251 N LEU A 46 9.222 -5.328 -13.641 1.00 0.00 N ATOM 252 CA LEU A 46 8.202 -4.693 -14.472 1.00 0.00 C ATOM 253 C LEU A 46 8.676 -4.458 -15.905 1.00 0.00 C ATOM 254 O LEU A 46 7.951 -4.783 -16.835 1.00 0.00 O ATOM 255 CB LEU A 46 7.758 -3.392 -13.796 1.00 0.00 C ATOM 256 CG LEU A 46 6.554 -3.540 -12.861 1.00 0.00 C ATOM 257 CD1 LEU A 46 5.247 -3.469 -13.665 1.00 0.00 C ATOM 258 CD2 LEU A 46 6.537 -4.775 -11.961 1.00 0.00 C ATOM 0 H LEU A 46 9.542 -4.746 -12.867 1.00 0.00 H new ATOM 0 HA LEU A 46 7.350 -5.367 -14.557 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.596 -2.989 -13.227 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.515 -2.661 -14.567 1.00 0.00 H new ATOM 0 HG LEU A 46 6.650 -2.700 -12.173 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.398 -3.575 -12.990 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.186 -2.508 -14.176 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.228 -4.273 -14.401 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.636 -4.766 -11.348 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.547 -5.674 -12.577 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.415 -4.767 -11.316 1.00 0.00 H new ATOM 270 N GLU A 47 9.889 -3.952 -16.107 1.00 0.00 N ATOM 271 CA GLU A 47 10.484 -3.768 -17.435 1.00 0.00 C ATOM 272 C GLU A 47 10.652 -5.088 -18.203 1.00 0.00 C ATOM 273 O GLU A 47 10.378 -5.148 -19.405 1.00 0.00 O ATOM 274 CB GLU A 47 11.806 -3.000 -17.310 1.00 0.00 C ATOM 275 CG GLU A 47 12.323 -2.528 -18.674 1.00 0.00 C ATOM 276 CD GLU A 47 13.615 -1.700 -18.521 1.00 0.00 C ATOM 277 OE1 GLU A 47 14.710 -2.299 -18.385 1.00 0.00 O ATOM 278 OE2 GLU A 47 13.548 -0.448 -18.550 1.00 0.00 O ATOM 0 H GLU A 47 10.498 -3.653 -15.345 1.00 0.00 H new ATOM 0 HA GLU A 47 9.791 -3.175 -18.032 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.665 -2.139 -16.657 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.554 -3.638 -16.839 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.513 -3.391 -19.313 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.559 -1.928 -19.168 1.00 0.00 H new ATOM 285 N LYS A 48 11.030 -6.167 -17.506 1.00 0.00 N ATOM 286 CA LYS A 48 11.172 -7.511 -18.074 1.00 0.00 C ATOM 287 C LYS A 48 9.840 -8.016 -18.633 1.00 0.00 C ATOM 288 O LYS A 48 9.805 -8.570 -19.731 1.00 0.00 O ATOM 289 CB LYS A 48 11.801 -8.453 -17.027 1.00 0.00 C ATOM 290 CG LYS A 48 12.415 -9.739 -17.613 1.00 0.00 C ATOM 291 CD LYS A 48 11.462 -10.932 -17.794 1.00 0.00 C ATOM 292 CE LYS A 48 10.992 -11.503 -16.449 1.00 0.00 C ATOM 293 NZ LYS A 48 10.196 -12.746 -16.636 1.00 0.00 N ATOM 0 H LYS A 48 11.250 -6.128 -16.511 1.00 0.00 H new ATOM 0 HA LYS A 48 11.852 -7.482 -18.926 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.576 -7.909 -16.486 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.038 -8.729 -16.299 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.849 -9.499 -18.583 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.234 -10.052 -16.966 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.596 -10.619 -18.377 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.964 -11.714 -18.364 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.856 -11.714 -15.819 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.391 -10.759 -15.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.893 -13.107 -15.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.359 -12.538 -17.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.779 -13.463 -17.113 1.00 0.00 H new ATOM 307 N MET A 49 8.736 -7.770 -17.921 1.00 0.00 N ATOM 308 CA MET A 49 7.384 -8.045 -18.377 1.00 0.00 C ATOM 309 C MET A 49 6.927 -7.072 -19.476 1.00 0.00 C ATOM 310 O MET A 49 6.334 -7.489 -20.468 1.00 0.00 O ATOM 311 CB MET A 49 6.473 -7.916 -17.162 1.00 0.00 C ATOM 312 CG MET A 49 6.515 -9.131 -16.232 1.00 0.00 C ATOM 313 SD MET A 49 5.122 -9.209 -15.072 1.00 0.00 S ATOM 314 CE MET A 49 5.281 -7.589 -14.276 1.00 0.00 C ATOM 0 H MET A 49 8.767 -7.363 -16.986 1.00 0.00 H new ATOM 0 HA MET A 49 7.345 -9.043 -18.813 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.757 -7.028 -16.598 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.448 -7.764 -17.501 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.526 -10.039 -16.835 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.447 -9.113 -15.667 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.565 -7.514 -13.458 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.292 -7.473 -13.885 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.082 -6.804 -15.006 1.00 0.00 H new ATOM 324 N ALA A 50 7.222 -5.778 -19.332 1.00 0.00 N ATOM 325 CA ALA A 50 6.814 -4.713 -20.244 1.00 0.00 C ATOM 326 C ALA A 50 7.334 -4.915 -21.671 1.00 0.00 C ATOM 327 O ALA A 50 6.649 -4.539 -22.615 1.00 0.00 O ATOM 328 CB ALA A 50 7.252 -3.361 -19.676 1.00 0.00 C ATOM 0 H ALA A 50 7.773 -5.433 -18.546 1.00 0.00 H new ATOM 0 HA ALA A 50 5.727 -4.740 -20.321 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.948 -2.565 -20.356 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.784 -3.206 -18.704 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.336 -3.348 -19.563 1.00 0.00 H new ATOM 334 N ASN A 51 8.488 -5.557 -21.864 1.00 0.00 N ATOM 335 CA ASN A 51 8.980 -5.953 -23.186 1.00 0.00 C ATOM 336 C ASN A 51 8.012 -6.895 -23.937 1.00 0.00 C ATOM 337 O ASN A 51 7.909 -6.819 -25.160 1.00 0.00 O ATOM 338 CB ASN A 51 10.372 -6.572 -23.006 1.00 0.00 C ATOM 339 CG ASN A 51 11.006 -6.964 -24.332 1.00 0.00 C ATOM 340 OD1 ASN A 51 11.344 -6.127 -25.157 1.00 0.00 O ATOM 341 ND2 ASN A 51 11.195 -8.240 -24.582 1.00 0.00 N ATOM 0 H ASN A 51 9.113 -5.819 -21.101 1.00 0.00 H new ATOM 0 HA ASN A 51 9.045 -5.069 -23.821 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.019 -5.861 -22.492 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.296 -7.452 -22.368 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.622 -8.529 -25.462 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.914 -8.941 -23.896 1.00 0.00 H new ATOM 348 N GLU A 52 7.245 -7.722 -23.222 1.00 0.00 N ATOM 349 CA GLU A 52 6.193 -8.583 -23.777 1.00 0.00 C ATOM 350 C GLU A 52 4.899 -7.811 -24.121 1.00 0.00 C ATOM 351 O GLU A 52 4.077 -8.287 -24.906 1.00 0.00 O ATOM 352 CB GLU A 52 5.877 -9.755 -22.827 1.00 0.00 C ATOM 353 CG GLU A 52 7.117 -10.584 -22.460 1.00 0.00 C ATOM 354 CD GLU A 52 6.736 -11.824 -21.627 1.00 0.00 C ATOM 355 OE1 GLU A 52 6.311 -12.848 -22.218 1.00 0.00 O ATOM 356 OE2 GLU A 52 6.877 -11.795 -20.380 1.00 0.00 O ATOM 0 H GLU A 52 7.340 -7.815 -22.211 1.00 0.00 H new ATOM 0 HA GLU A 52 6.588 -8.978 -24.713 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.426 -9.364 -21.915 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.138 -10.405 -23.295 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.629 -10.898 -23.369 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.817 -9.966 -21.897 1.00 0.00 H new ATOM 363 N GLU A 53 4.741 -6.595 -23.587 1.00 0.00 N ATOM 364 CA GLU A 53 3.718 -5.600 -23.953 1.00 0.00 C ATOM 365 C GLU A 53 4.272 -4.533 -24.928 1.00 0.00 C ATOM 366 O GLU A 53 3.554 -3.628 -25.351 1.00 0.00 O ATOM 367 CB GLU A 53 3.148 -4.995 -22.656 1.00 0.00 C ATOM 368 CG GLU A 53 1.825 -4.237 -22.835 1.00 0.00 C ATOM 369 CD GLU A 53 1.171 -3.936 -21.476 1.00 0.00 C ATOM 370 OE1 GLU A 53 0.517 -4.846 -20.913 1.00 0.00 O ATOM 371 OE2 GLU A 53 1.277 -2.788 -20.984 1.00 0.00 O ATOM 0 H GLU A 53 5.356 -6.257 -22.847 1.00 0.00 H new ATOM 0 HA GLU A 53 2.908 -6.083 -24.500 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.998 -5.796 -21.932 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.887 -4.315 -22.232 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.006 -3.304 -23.369 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.144 -4.828 -23.447 1.00 0.00 H new ATOM 378 N GLU A 54 5.543 -4.669 -25.327 1.00 0.00 N ATOM 379 CA GLU A 54 6.302 -3.785 -26.218 1.00 0.00 C ATOM 380 C GLU A 54 6.631 -2.428 -25.558 1.00 0.00 C ATOM 381 O GLU A 54 6.269 -1.355 -26.042 1.00 0.00 O ATOM 382 CB GLU A 54 5.635 -3.705 -27.608 1.00 0.00 C ATOM 383 CG GLU A 54 6.645 -3.330 -28.696 1.00 0.00 C ATOM 384 CD GLU A 54 5.952 -3.172 -30.064 1.00 0.00 C ATOM 385 OE1 GLU A 54 5.792 -4.185 -30.790 1.00 0.00 O ATOM 386 OE2 GLU A 54 5.571 -2.034 -30.435 1.00 0.00 O ATOM 0 H GLU A 54 6.108 -5.458 -25.012 1.00 0.00 H new ATOM 0 HA GLU A 54 7.284 -4.222 -26.397 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.179 -4.665 -27.849 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.833 -2.968 -27.586 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.144 -2.399 -28.428 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.416 -4.098 -28.762 1.00 0.00 H new ATOM 393 N GLU A 55 7.359 -2.507 -24.436 1.00 0.00 N ATOM 394 CA GLU A 55 7.889 -1.426 -23.588 1.00 0.00 C ATOM 395 C GLU A 55 6.872 -0.326 -23.214 1.00 0.00 C ATOM 396 O GLU A 55 6.807 0.751 -23.810 1.00 0.00 O ATOM 397 CB GLU A 55 9.254 -0.910 -24.085 1.00 0.00 C ATOM 398 CG GLU A 55 9.334 -0.427 -25.542 1.00 0.00 C ATOM 399 CD GLU A 55 10.739 0.119 -25.862 1.00 0.00 C ATOM 400 OE1 GLU A 55 10.982 1.338 -25.678 1.00 0.00 O ATOM 401 OE2 GLU A 55 11.614 -0.662 -26.311 1.00 0.00 O ATOM 0 H GLU A 55 7.618 -3.419 -24.061 1.00 0.00 H new ATOM 0 HA GLU A 55 8.085 -1.888 -22.620 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.560 -0.087 -23.439 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.985 -1.707 -23.953 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.097 -1.250 -26.216 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.589 0.350 -25.713 1.00 0.00 H new ATOM 408 N SER A 56 6.094 -0.603 -22.161 1.00 0.00 N ATOM 409 CA SER A 56 5.077 0.285 -21.587 1.00 0.00 C ATOM 410 C SER A 56 5.108 0.143 -20.060 1.00 0.00 C ATOM 411 O SER A 56 4.168 -0.317 -19.406 1.00 0.00 O ATOM 412 CB SER A 56 3.708 -0.013 -22.214 1.00 0.00 C ATOM 413 OG SER A 56 2.832 1.090 -22.042 1.00 0.00 O ATOM 0 H SER A 56 6.159 -1.491 -21.664 1.00 0.00 H new ATOM 0 HA SER A 56 5.286 1.330 -21.816 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.827 -0.228 -23.276 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.277 -0.902 -21.755 1.00 0.00 H new ATOM 0 HG SER A 56 1.964 0.885 -22.448 1.00 0.00 H new ATOM 419 N VAL A 57 6.271 0.452 -19.477 1.00 0.00 N ATOM 420 CA VAL A 57 6.486 0.361 -18.025 1.00 0.00 C ATOM 421 C VAL A 57 5.588 1.356 -17.274 1.00 0.00 C ATOM 422 O VAL A 57 5.391 2.492 -17.708 1.00 0.00 O ATOM 423 CB VAL A 57 7.961 0.562 -17.602 1.00 0.00 C ATOM 424 CG1 VAL A 57 8.699 -0.776 -17.554 1.00 0.00 C ATOM 425 CG2 VAL A 57 8.751 1.500 -18.521 1.00 0.00 C ATOM 0 H VAL A 57 7.089 0.772 -19.995 1.00 0.00 H new ATOM 0 HA VAL A 57 6.216 -0.659 -17.751 1.00 0.00 H new ATOM 0 HB VAL A 57 7.908 1.023 -16.616 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.734 -0.610 -17.254 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.213 -1.434 -16.833 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.677 -1.239 -18.540 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.775 1.589 -18.157 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.759 1.096 -19.533 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.282 2.484 -18.527 1.00 0.00 H new ATOM 435 N GLY A 58 5.014 0.915 -16.153 1.00 0.00 N ATOM 436 CA GLY A 58 4.000 1.639 -15.372 1.00 0.00 C ATOM 437 C GLY A 58 2.583 1.270 -15.814 1.00 0.00 C ATOM 438 O GLY A 58 1.740 0.922 -14.990 1.00 0.00 O ATOM 0 H GLY A 58 5.249 0.010 -15.746 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.123 1.410 -14.313 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.150 2.713 -15.486 1.00 0.00 H new ATOM 442 N SER A 59 2.336 1.227 -17.123 1.00 0.00 N ATOM 443 CA SER A 59 1.084 0.730 -17.703 1.00 0.00 C ATOM 444 C SER A 59 0.862 -0.745 -17.364 1.00 0.00 C ATOM 445 O SER A 59 -0.241 -1.134 -16.985 1.00 0.00 O ATOM 446 CB SER A 59 1.106 0.896 -19.220 1.00 0.00 C ATOM 447 OG SER A 59 1.440 2.222 -19.597 1.00 0.00 O ATOM 0 H SER A 59 3.009 1.541 -17.823 1.00 0.00 H new ATOM 0 HA SER A 59 0.268 1.313 -17.277 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.827 0.202 -19.652 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.130 0.636 -19.629 1.00 0.00 H new ATOM 0 HG SER A 59 1.949 2.206 -20.435 1.00 0.00 H new ATOM 453 N TYR A 60 1.927 -1.555 -17.406 1.00 0.00 N ATOM 454 CA TYR A 60 1.910 -2.952 -16.960 1.00 0.00 C ATOM 455 C TYR A 60 1.516 -3.083 -15.479 1.00 0.00 C ATOM 456 O TYR A 60 0.680 -3.917 -15.136 1.00 0.00 O ATOM 457 CB TYR A 60 3.277 -3.601 -17.223 1.00 0.00 C ATOM 458 CG TYR A 60 3.183 -5.082 -17.547 1.00 0.00 C ATOM 459 CD1 TYR A 60 2.841 -6.017 -16.548 1.00 0.00 C ATOM 460 CD2 TYR A 60 3.399 -5.521 -18.867 1.00 0.00 C ATOM 461 CE1 TYR A 60 2.696 -7.380 -16.874 1.00 0.00 C ATOM 462 CE2 TYR A 60 3.290 -6.886 -19.189 1.00 0.00 C ATOM 463 CZ TYR A 60 2.921 -7.820 -18.197 1.00 0.00 C ATOM 464 OH TYR A 60 2.807 -9.137 -18.519 1.00 0.00 O ATOM 0 H TYR A 60 2.837 -1.254 -17.756 1.00 0.00 H new ATOM 0 HA TYR A 60 1.148 -3.477 -17.536 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.764 -3.085 -18.050 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.911 -3.467 -16.346 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.690 -5.687 -15.531 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.650 -4.806 -19.637 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.412 -8.090 -16.111 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.489 -7.220 -20.197 1.00 0.00 H new ATOM 0 HH TYR A 60 2.996 -9.258 -19.473 1.00 0.00 H new ATOM 474 N ILE A 61 2.066 -2.218 -14.611 1.00 0.00 N ATOM 475 CA ILE A 61 1.687 -2.098 -13.183 1.00 0.00 C ATOM 476 C ILE A 61 0.179 -1.889 -13.070 1.00 0.00 C ATOM 477 O ILE A 61 -0.508 -2.625 -12.358 1.00 0.00 O ATOM 478 CB ILE A 61 2.498 -0.981 -12.454 1.00 0.00 C ATOM 479 CG1 ILE A 61 3.371 -1.574 -11.330 1.00 0.00 C ATOM 480 CG2 ILE A 61 1.679 0.156 -11.798 1.00 0.00 C ATOM 481 CD1 ILE A 61 4.569 -0.684 -10.998 1.00 0.00 C ATOM 0 H ILE A 61 2.802 -1.567 -14.883 1.00 0.00 H new ATOM 0 HA ILE A 61 1.943 -3.027 -12.674 1.00 0.00 H new ATOM 0 HB ILE A 61 3.073 -0.546 -13.271 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.764 -1.712 -10.435 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.725 -2.560 -11.630 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.357 0.867 -11.326 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.091 0.667 -12.560 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.012 -0.264 -11.045 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.154 -1.143 -10.201 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.192 -0.567 -11.884 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.216 0.294 -10.671 1.00 0.00 H new ATOM 493 N LYS A 62 -0.339 -0.909 -13.818 1.00 0.00 N ATOM 494 CA LYS A 62 -1.745 -0.525 -13.774 1.00 0.00 C ATOM 495 C LYS A 62 -2.622 -1.699 -14.220 1.00 0.00 C ATOM 496 O LYS A 62 -3.535 -2.091 -13.502 1.00 0.00 O ATOM 497 CB LYS A 62 -1.955 0.752 -14.612 1.00 0.00 C ATOM 498 CG LYS A 62 -3.328 1.385 -14.343 1.00 0.00 C ATOM 499 CD LYS A 62 -3.625 2.558 -15.288 1.00 0.00 C ATOM 500 CE LYS A 62 -5.103 2.955 -15.162 1.00 0.00 C ATOM 501 NZ LYS A 62 -5.471 4.049 -16.099 1.00 0.00 N ATOM 0 H LYS A 62 0.214 -0.358 -14.475 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.046 -0.287 -12.754 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.170 1.472 -14.381 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.866 0.512 -15.671 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.103 0.627 -14.454 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.369 1.734 -13.311 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.987 3.407 -15.043 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.399 2.276 -16.317 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.729 2.085 -15.358 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.307 3.271 -14.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.421 3.871 -16.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.467 4.957 -15.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.783 4.085 -16.878 1.00 0.00 H new ATOM 515 N ARG A 63 -2.298 -2.338 -15.351 1.00 0.00 N ATOM 516 CA ARG A 63 -2.978 -3.553 -15.835 1.00 0.00 C ATOM 517 C ARG A 63 -2.957 -4.703 -14.824 1.00 0.00 C ATOM 518 O ARG A 63 -3.971 -5.372 -14.678 1.00 0.00 O ATOM 519 CB ARG A 63 -2.405 -4.009 -17.187 1.00 0.00 C ATOM 520 CG ARG A 63 -2.812 -3.068 -18.334 1.00 0.00 C ATOM 521 CD ARG A 63 -2.427 -3.649 -19.700 1.00 0.00 C ATOM 522 NE ARG A 63 -3.278 -4.806 -20.054 1.00 0.00 N ATOM 523 CZ ARG A 63 -2.912 -6.051 -20.307 1.00 0.00 C ATOM 524 NH1 ARG A 63 -1.670 -6.426 -20.399 1.00 0.00 N ATOM 525 NH2 ARG A 63 -3.818 -6.973 -20.473 1.00 0.00 N ATOM 0 H ARG A 63 -1.547 -2.024 -15.966 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.024 -3.277 -15.970 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.318 -4.053 -17.123 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.753 -5.019 -17.406 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.888 -2.896 -18.301 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.330 -2.100 -18.200 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.522 -2.878 -20.465 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.381 -3.956 -19.685 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.279 -4.619 -20.110 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.921 -5.745 -20.274 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.445 -7.401 -20.596 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.807 -6.733 -20.408 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.538 -7.934 -20.668 1.00 0.00 H new ATOM 539 N TYR A 64 -1.870 -4.912 -14.082 1.00 0.00 N ATOM 540 CA TYR A 64 -1.747 -5.972 -13.067 1.00 0.00 C ATOM 541 C TYR A 64 -2.698 -5.751 -11.880 1.00 0.00 C ATOM 542 O TYR A 64 -3.348 -6.670 -11.384 1.00 0.00 O ATOM 543 CB TYR A 64 -0.292 -6.060 -12.572 1.00 0.00 C ATOM 544 CG TYR A 64 0.176 -7.475 -12.276 1.00 0.00 C ATOM 545 CD1 TYR A 64 -0.388 -8.202 -11.208 1.00 0.00 C ATOM 546 CD2 TYR A 64 1.164 -8.072 -13.084 1.00 0.00 C ATOM 547 CE1 TYR A 64 0.010 -9.532 -10.969 1.00 0.00 C ATOM 548 CE2 TYR A 64 1.577 -9.396 -12.838 1.00 0.00 C ATOM 549 CZ TYR A 64 0.993 -10.134 -11.784 1.00 0.00 C ATOM 550 OH TYR A 64 1.377 -11.420 -11.562 1.00 0.00 O ATOM 0 H TYR A 64 -1.030 -4.340 -14.167 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.030 -6.913 -13.539 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.364 -5.621 -13.324 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.189 -5.458 -11.669 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.127 -7.738 -10.571 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.606 -7.512 -13.895 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.438 -10.092 -10.161 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.340 -9.847 -13.455 1.00 0.00 H new ATOM 0 HH TYR A 64 2.061 -11.675 -12.216 1.00 0.00 H new ATOM 560 N ILE A 65 -2.813 -4.497 -11.453 1.00 0.00 N ATOM 561 CA ILE A 65 -3.747 -4.025 -10.423 1.00 0.00 C ATOM 562 C ILE A 65 -5.187 -4.182 -10.906 1.00 0.00 C ATOM 563 O ILE A 65 -6.033 -4.670 -10.162 1.00 0.00 O ATOM 564 CB ILE A 65 -3.423 -2.567 -10.042 1.00 0.00 C ATOM 565 CG1 ILE A 65 -2.078 -2.464 -9.297 1.00 0.00 C ATOM 566 CG2 ILE A 65 -4.537 -1.865 -9.245 1.00 0.00 C ATOM 567 CD1 ILE A 65 -2.047 -3.055 -7.879 1.00 0.00 C ATOM 0 H ILE A 65 -2.235 -3.745 -11.829 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.634 -4.633 -9.525 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.346 -2.035 -10.990 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.315 -2.964 -9.894 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.798 -1.412 -9.237 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.232 -0.844 -9.016 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.452 -1.846 -9.837 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.717 -2.407 -8.317 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.052 -2.926 -7.453 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.779 -2.542 -7.255 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.288 -4.117 -7.922 1.00 0.00 H new ATOM 579 N LEU A 66 -5.467 -3.826 -12.161 1.00 0.00 N ATOM 580 CA LEU A 66 -6.808 -3.912 -12.753 1.00 0.00 C ATOM 581 C LEU A 66 -7.224 -5.372 -12.979 1.00 0.00 C ATOM 582 O LEU A 66 -8.381 -5.729 -12.756 1.00 0.00 O ATOM 583 CB LEU A 66 -6.824 -3.086 -14.049 1.00 0.00 C ATOM 584 CG LEU A 66 -7.140 -1.585 -13.862 1.00 0.00 C ATOM 585 CD1 LEU A 66 -6.576 -0.906 -12.608 1.00 0.00 C ATOM 586 CD2 LEU A 66 -6.594 -0.817 -15.063 1.00 0.00 C ATOM 0 H LEU A 66 -4.762 -3.465 -12.804 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.546 -3.497 -12.067 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.852 -3.180 -14.534 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.562 -3.516 -14.727 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.225 -1.555 -13.757 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.870 0.143 -12.599 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.968 -1.401 -11.719 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.488 -0.978 -12.613 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.810 0.245 -14.945 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.516 -0.963 -15.129 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.066 -1.184 -15.975 1.00 0.00 H new ATOM 598 N LYS A 67 -6.260 -6.233 -13.324 1.00 0.00 N ATOM 599 CA LYS A 67 -6.389 -7.692 -13.386 1.00 0.00 C ATOM 600 C LYS A 67 -6.790 -8.259 -12.022 1.00 0.00 C ATOM 601 O LYS A 67 -7.752 -9.023 -11.935 1.00 0.00 O ATOM 602 CB LYS A 67 -5.060 -8.273 -13.903 1.00 0.00 C ATOM 603 CG LYS A 67 -5.068 -9.795 -14.110 1.00 0.00 C ATOM 604 CD LYS A 67 -3.681 -10.271 -14.574 1.00 0.00 C ATOM 605 CE LYS A 67 -3.546 -11.801 -14.614 1.00 0.00 C ATOM 606 NZ LYS A 67 -4.345 -12.421 -15.706 1.00 0.00 N ATOM 0 H LYS A 67 -5.325 -5.916 -13.579 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.184 -7.977 -14.075 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.811 -7.792 -14.849 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.268 -8.019 -13.198 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.341 -10.295 -13.181 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.821 -10.065 -14.850 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.480 -9.869 -15.567 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.922 -9.864 -13.906 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.496 -12.066 -14.742 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.864 -12.215 -13.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.217 -13.453 -15.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.351 -12.194 -15.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.026 -12.050 -16.624 1.00 0.00 H new ATOM 620 N ALA A 68 -6.084 -7.848 -10.966 1.00 0.00 N ATOM 621 CA ALA A 68 -6.338 -8.258 -9.585 1.00 0.00 C ATOM 622 C ALA A 68 -7.650 -7.698 -9.002 1.00 0.00 C ATOM 623 O ALA A 68 -8.289 -8.365 -8.190 1.00 0.00 O ATOM 624 CB ALA A 68 -5.140 -7.832 -8.729 1.00 0.00 C ATOM 0 H ALA A 68 -5.298 -7.203 -11.052 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.460 -9.341 -9.576 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.309 -8.128 -7.694 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.236 -8.314 -9.102 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.022 -6.750 -8.782 1.00 0.00 H new ATOM 630 N LEU A 69 -8.094 -6.509 -9.426 1.00 0.00 N ATOM 631 CA LEU A 69 -9.252 -5.785 -8.878 1.00 0.00 C ATOM 632 C LEU A 69 -10.565 -6.555 -9.037 1.00 0.00 C ATOM 633 O LEU A 69 -11.465 -6.443 -8.201 1.00 0.00 O ATOM 634 CB LEU A 69 -9.366 -4.406 -9.566 1.00 0.00 C ATOM 635 CG LEU A 69 -9.578 -3.217 -8.616 1.00 0.00 C ATOM 636 CD1 LEU A 69 -8.284 -2.837 -7.898 1.00 0.00 C ATOM 637 CD2 LEU A 69 -10.039 -1.997 -9.418 1.00 0.00 C ATOM 0 H LEU A 69 -7.642 -6.004 -10.188 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.084 -5.666 -7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.459 -4.231 -10.145 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.195 -4.438 -10.273 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.326 -3.514 -7.881 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.471 -1.993 -7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.929 -3.686 -7.314 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.528 -2.561 -8.633 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.189 -1.154 -8.744 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.280 -1.740 -10.157 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.976 -2.228 -9.925 1.00 0.00 H new ATOM 649 N ARG A 70 -10.636 -7.364 -10.097 1.00 0.00 N ATOM 650 CA ARG A 70 -11.726 -8.291 -10.410 1.00 0.00 C ATOM 651 C ARG A 70 -11.869 -9.439 -9.400 1.00 0.00 C ATOM 652 O ARG A 70 -12.947 -10.027 -9.299 1.00 0.00 O ATOM 653 CB ARG A 70 -11.534 -8.870 -11.824 1.00 0.00 C ATOM 654 CG ARG A 70 -11.470 -7.787 -12.917 1.00 0.00 C ATOM 655 CD ARG A 70 -11.448 -8.383 -14.329 1.00 0.00 C ATOM 656 NE ARG A 70 -10.287 -9.272 -14.545 1.00 0.00 N ATOM 657 CZ ARG A 70 -10.039 -9.995 -15.622 1.00 0.00 C ATOM 658 NH1 ARG A 70 -10.787 -9.935 -16.687 1.00 0.00 N ATOM 659 NH2 ARG A 70 -9.023 -10.808 -15.646 1.00 0.00 N ATOM 0 H ARG A 70 -9.895 -7.391 -10.797 1.00 0.00 H new ATOM 0 HA ARG A 70 -12.646 -7.709 -10.354 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.616 -9.457 -11.848 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -12.354 -9.553 -12.045 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.330 -7.124 -12.819 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.579 -7.177 -12.769 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.368 -8.943 -14.499 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.426 -7.576 -15.061 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.609 -9.333 -13.786 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.596 -9.314 -16.708 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.564 -10.509 -17.500 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.415 -10.889 -14.831 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.835 -11.365 -16.480 1.00 0.00 H new ATOM 673 N LYS A 71 -10.789 -9.775 -8.678 1.00 0.00 N ATOM 674 CA LYS A 71 -10.653 -10.984 -7.846 1.00 0.00 C ATOM 675 C LYS A 71 -9.820 -10.795 -6.557 1.00 0.00 C ATOM 676 O LYS A 71 -9.198 -11.746 -6.081 1.00 0.00 O ATOM 677 CB LYS A 71 -10.185 -12.162 -8.734 1.00 0.00 C ATOM 678 CG LYS A 71 -11.113 -13.390 -8.639 1.00 0.00 C ATOM 679 CD LYS A 71 -11.128 -14.028 -7.242 1.00 0.00 C ATOM 680 CE LYS A 71 -12.239 -15.074 -7.115 1.00 0.00 C ATOM 681 NZ LYS A 71 -12.422 -15.467 -5.695 1.00 0.00 N ATOM 0 H LYS A 71 -9.953 -9.191 -8.656 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.638 -11.223 -7.445 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.134 -11.831 -9.771 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.176 -12.452 -8.442 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.127 -13.093 -8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.796 -14.135 -9.369 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.163 -14.495 -7.044 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.268 -13.253 -6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.172 -14.672 -7.511 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.991 -15.951 -7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.155 -16.202 -5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.526 -15.838 -5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.713 -14.637 -5.140 1.00 0.00 H new ATOM 695 N ILE A 72 -9.826 -9.594 -5.959 1.00 0.00 N ATOM 696 CA ILE A 72 -9.206 -9.320 -4.641 1.00 0.00 C ATOM 697 C ILE A 72 -9.633 -10.349 -3.567 1.00 0.00 C ATOM 698 O ILE A 72 -8.797 -10.819 -2.791 1.00 0.00 O ATOM 699 CB ILE A 72 -9.518 -7.875 -4.176 1.00 0.00 C ATOM 700 CG1 ILE A 72 -9.108 -6.840 -5.247 1.00 0.00 C ATOM 701 CG2 ILE A 72 -8.812 -7.550 -2.843 1.00 0.00 C ATOM 702 CD1 ILE A 72 -9.478 -5.398 -4.889 1.00 0.00 C ATOM 0 H ILE A 72 -10.264 -8.773 -6.376 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.128 -9.419 -4.767 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.596 -7.815 -4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.031 -6.900 -5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.582 -7.103 -6.193 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.051 -6.529 -2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.152 -8.243 -2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.734 -7.648 -2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -9.158 -4.731 -5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.558 -5.320 -4.762 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.982 -5.115 -3.960 1.00 0.00 H new ATOM 714 N GLU A 73 -10.920 -10.729 -3.539 1.00 0.00 N ATOM 715 CA GLU A 73 -11.523 -11.732 -2.643 1.00 0.00 C ATOM 716 C GLU A 73 -11.866 -13.049 -3.366 1.00 0.00 C ATOM 717 O GLU A 73 -12.737 -13.052 -4.266 1.00 0.00 O ATOM 718 CB GLU A 73 -12.770 -11.127 -1.980 1.00 0.00 C ATOM 719 CG GLU A 73 -12.437 -10.039 -0.948 1.00 0.00 C ATOM 720 CD GLU A 73 -13.715 -9.544 -0.230 1.00 0.00 C ATOM 721 OE1 GLU A 73 -14.363 -8.582 -0.715 1.00 0.00 O ATOM 722 OE2 GLU A 73 -14.083 -10.108 0.831 1.00 0.00 O ATOM 0 H GLU A 73 -11.607 -10.323 -4.175 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.786 -11.991 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.414 -10.703 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.336 -11.921 -1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.733 -10.432 -0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.947 -9.201 -1.443 1.00 0.00 H new ATOM 730 N THR B 31 16.552 6.451 -6.650 1.00 0.00 N ATOM 731 CA THR B 31 15.259 5.739 -6.596 1.00 0.00 C ATOM 732 C THR B 31 14.472 6.060 -7.874 1.00 0.00 C ATOM 733 O THR B 31 14.729 7.082 -8.520 1.00 0.00 O ATOM 734 CB THR B 31 14.451 6.189 -5.359 1.00 0.00 C ATOM 735 OG1 THR B 31 15.243 6.176 -4.186 1.00 0.00 O ATOM 736 CG2 THR B 31 13.238 5.314 -5.048 1.00 0.00 C ATOM 0 HA THR B 31 15.434 4.666 -6.521 1.00 0.00 H new ATOM 0 HB THR B 31 14.119 7.193 -5.625 1.00 0.00 H new ATOM 0 HG1 THR B 31 16.190 6.237 -4.430 1.00 0.00 H new ATOM 0 HG21 THR B 31 12.728 5.700 -4.165 1.00 0.00 H new ATOM 0 HG22 THR B 31 12.554 5.325 -5.897 1.00 0.00 H new ATOM 0 HG23 THR B 31 13.566 4.292 -4.860 1.00 0.00 H new ATOM 744 N ARG B 32 13.514 5.210 -8.258 1.00 0.00 N ATOM 745 CA ARG B 32 12.652 5.410 -9.433 1.00 0.00 C ATOM 746 C ARG B 32 11.428 6.274 -9.099 1.00 0.00 C ATOM 747 O ARG B 32 11.111 6.491 -7.931 1.00 0.00 O ATOM 748 CB ARG B 32 12.255 4.032 -10.006 1.00 0.00 C ATOM 749 CG ARG B 32 12.263 4.019 -11.543 1.00 0.00 C ATOM 750 CD ARG B 32 13.681 4.011 -12.135 1.00 0.00 C ATOM 751 NE ARG B 32 14.328 2.689 -12.014 1.00 0.00 N ATOM 752 CZ ARG B 32 15.575 2.384 -12.327 1.00 0.00 C ATOM 753 NH1 ARG B 32 16.429 3.282 -12.727 1.00 0.00 N ATOM 754 NH2 ARG B 32 15.996 1.153 -12.250 1.00 0.00 N ATOM 0 H ARG B 32 13.310 4.347 -7.753 1.00 0.00 H new ATOM 0 HA ARG B 32 13.205 5.959 -10.195 1.00 0.00 H new ATOM 0 HB2 ARG B 32 12.944 3.274 -9.634 1.00 0.00 H new ATOM 0 HB3 ARG B 32 11.261 3.764 -9.647 1.00 0.00 H new ATOM 0 HG2 ARG B 32 11.723 3.141 -11.896 1.00 0.00 H new ATOM 0 HG3 ARG B 32 11.726 4.893 -11.911 1.00 0.00 H new ATOM 0 HD2 ARG B 32 13.636 4.297 -13.186 1.00 0.00 H new ATOM 0 HD3 ARG B 32 14.289 4.759 -11.627 1.00 0.00 H new ATOM 0 HE ARG B 32 13.751 1.931 -11.650 1.00 0.00 H new ATOM 0 HH11 ARG B 32 16.143 4.258 -12.807 1.00 0.00 H new ATOM 0 HH12 ARG B 32 17.384 3.010 -12.960 1.00 0.00 H new ATOM 0 HH21 ARG B 32 15.361 0.415 -11.946 1.00 0.00 H new ATOM 0 HH22 ARG B 32 16.960 0.928 -12.494 1.00 0.00 H new ATOM 768 N ALA B 33 10.721 6.718 -10.133 1.00 0.00 N ATOM 769 CA ALA B 33 9.469 7.472 -10.066 1.00 0.00 C ATOM 770 C ALA B 33 8.422 6.821 -10.987 1.00 0.00 C ATOM 771 O ALA B 33 8.636 6.699 -12.196 1.00 0.00 O ATOM 772 CB ALA B 33 9.747 8.936 -10.428 1.00 0.00 C ATOM 0 H ALA B 33 11.021 6.554 -11.094 1.00 0.00 H new ATOM 0 HA ALA B 33 9.060 7.453 -9.056 1.00 0.00 H new ATOM 0 HB1 ALA B 33 8.819 9.505 -10.380 1.00 0.00 H new ATOM 0 HB2 ALA B 33 10.466 9.355 -9.724 1.00 0.00 H new ATOM 0 HB3 ALA B 33 10.154 8.990 -11.438 1.00 0.00 H new ATOM 778 N VAL B 34 7.308 6.364 -10.410 1.00 0.00 N ATOM 779 CA VAL B 34 6.263 5.561 -11.058 1.00 0.00 C ATOM 780 C VAL B 34 4.905 6.190 -10.764 1.00 0.00 C ATOM 781 O VAL B 34 4.331 5.984 -9.697 1.00 0.00 O ATOM 782 CB VAL B 34 6.323 4.077 -10.636 1.00 0.00 C ATOM 783 CG1 VAL B 34 5.380 3.232 -11.502 1.00 0.00 C ATOM 784 CG2 VAL B 34 7.735 3.490 -10.781 1.00 0.00 C ATOM 0 H VAL B 34 7.098 6.552 -9.430 1.00 0.00 H new ATOM 0 HA VAL B 34 6.429 5.563 -12.135 1.00 0.00 H new ATOM 0 HB VAL B 34 6.024 4.045 -9.588 1.00 0.00 H new ATOM 0 HG11 VAL B 34 5.436 2.189 -11.190 1.00 0.00 H new ATOM 0 HG12 VAL B 34 4.358 3.592 -11.384 1.00 0.00 H new ATOM 0 HG13 VAL B 34 5.675 3.314 -12.548 1.00 0.00 H new ATOM 0 HG21 VAL B 34 7.728 2.445 -10.473 1.00 0.00 H new ATOM 0 HG22 VAL B 34 8.053 3.559 -11.821 1.00 0.00 H new ATOM 0 HG23 VAL B 34 8.428 4.049 -10.152 1.00 0.00 H new ATOM 794 N SER B 35 4.431 7.012 -11.700 1.00 0.00 N ATOM 795 CA SER B 35 3.180 7.776 -11.610 1.00 0.00 C ATOM 796 C SER B 35 2.092 7.234 -12.528 1.00 0.00 C ATOM 797 O SER B 35 2.237 7.208 -13.754 1.00 0.00 O ATOM 798 CB SER B 35 3.427 9.262 -11.850 1.00 0.00 C ATOM 799 OG SER B 35 2.243 9.996 -11.590 1.00 0.00 O ATOM 0 H SER B 35 4.925 7.172 -12.578 1.00 0.00 H new ATOM 0 HA SER B 35 2.809 7.654 -10.592 1.00 0.00 H new ATOM 0 HB2 SER B 35 4.233 9.614 -11.206 1.00 0.00 H new ATOM 0 HB3 SER B 35 3.748 9.425 -12.879 1.00 0.00 H new ATOM 0 HG SER B 35 2.409 10.949 -11.744 1.00 0.00 H new ATOM 805 N LEU B 36 1.010 6.767 -11.904 1.00 0.00 N ATOM 806 CA LEU B 36 -0.153 6.161 -12.545 1.00 0.00 C ATOM 807 C LEU B 36 -1.351 7.121 -12.495 1.00 0.00 C ATOM 808 O LEU B 36 -1.442 7.982 -11.616 1.00 0.00 O ATOM 809 CB LEU B 36 -0.506 4.832 -11.847 1.00 0.00 C ATOM 810 CG LEU B 36 0.565 3.722 -11.762 1.00 0.00 C ATOM 811 CD1 LEU B 36 1.404 3.590 -13.036 1.00 0.00 C ATOM 812 CD2 LEU B 36 1.491 3.876 -10.554 1.00 0.00 C ATOM 0 H LEU B 36 0.918 6.804 -10.889 1.00 0.00 H new ATOM 0 HA LEU B 36 0.087 5.960 -13.589 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.817 5.068 -10.829 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.374 4.413 -12.357 1.00 0.00 H new ATOM 0 HG LEU B 36 -0.011 2.805 -11.640 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.136 2.793 -12.908 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.753 3.353 -13.878 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.921 4.530 -13.230 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.221 3.067 -10.550 1.00 0.00 H new ATOM 0 HD22 LEU B 36 2.010 4.833 -10.613 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.902 3.839 -9.637 1.00 0.00 H new ATOM 824 N TYR B 37 -2.295 6.923 -13.415 1.00 0.00 N ATOM 825 CA TYR B 37 -3.460 7.785 -13.633 1.00 0.00 C ATOM 826 C TYR B 37 -4.752 6.968 -13.671 1.00 0.00 C ATOM 827 O TYR B 37 -5.180 6.491 -14.725 1.00 0.00 O ATOM 828 CB TYR B 37 -3.261 8.627 -14.902 1.00 0.00 C ATOM 829 CG TYR B 37 -2.309 9.791 -14.708 1.00 0.00 C ATOM 830 CD1 TYR B 37 -2.805 11.006 -14.200 1.00 0.00 C ATOM 831 CD2 TYR B 37 -0.939 9.661 -15.011 1.00 0.00 C ATOM 832 CE1 TYR B 37 -1.943 12.098 -14.001 1.00 0.00 C ATOM 833 CE2 TYR B 37 -0.068 10.750 -14.807 1.00 0.00 C ATOM 834 CZ TYR B 37 -0.567 11.973 -14.303 1.00 0.00 C ATOM 835 OH TYR B 37 0.279 13.023 -14.117 1.00 0.00 O ATOM 0 H TYR B 37 -2.270 6.128 -14.054 1.00 0.00 H new ATOM 0 HA TYR B 37 -3.555 8.472 -12.792 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -2.883 7.986 -15.699 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -4.227 9.008 -15.232 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -3.854 11.100 -13.962 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -0.557 8.728 -15.399 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -2.331 13.031 -13.618 1.00 0.00 H new ATOM 0 HE2 TYR B 37 0.983 10.650 -15.036 1.00 0.00 H new ATOM 0 HH TYR B 37 1.187 12.761 -14.375 1.00 0.00 H new ATOM 845 N PHE B 38 -5.357 6.761 -12.502 1.00 0.00 N ATOM 846 CA PHE B 38 -6.648 6.123 -12.316 1.00 0.00 C ATOM 847 C PHE B 38 -7.814 7.101 -12.486 1.00 0.00 C ATOM 848 O PHE B 38 -7.639 8.323 -12.460 1.00 0.00 O ATOM 849 CB PHE B 38 -6.643 5.563 -10.899 1.00 0.00 C ATOM 850 CG PHE B 38 -5.624 4.464 -10.697 1.00 0.00 C ATOM 851 CD1 PHE B 38 -5.808 3.202 -11.296 1.00 0.00 C ATOM 852 CD2 PHE B 38 -4.476 4.706 -9.926 1.00 0.00 C ATOM 853 CE1 PHE B 38 -4.879 2.172 -11.077 1.00 0.00 C ATOM 854 CE2 PHE B 38 -3.524 3.691 -9.759 1.00 0.00 C ATOM 855 CZ PHE B 38 -3.716 2.428 -10.342 1.00 0.00 C ATOM 0 H PHE B 38 -4.935 7.050 -11.620 1.00 0.00 H new ATOM 0 HA PHE B 38 -6.791 5.348 -13.069 1.00 0.00 H new ATOM 0 HB2 PHE B 38 -6.440 6.371 -10.196 1.00 0.00 H new ATOM 0 HB3 PHE B 38 -7.635 5.178 -10.664 1.00 0.00 H new ATOM 0 HD1 PHE B 38 -6.667 3.026 -11.926 1.00 0.00 H new ATOM 0 HD2 PHE B 38 -4.327 5.670 -9.463 1.00 0.00 H new ATOM 0 HE1 PHE B 38 -5.062 1.185 -11.475 1.00 0.00 H new ATOM 0 HE2 PHE B 38 -2.635 3.882 -9.177 1.00 0.00 H new ATOM 0 HZ PHE B 38 -2.969 1.657 -10.224 1.00 0.00 H new ATOM 865 N SER B 39 -9.024 6.552 -12.604 1.00 0.00 N ATOM 866 CA SER B 39 -10.222 7.312 -12.947 1.00 0.00 C ATOM 867 C SER B 39 -11.397 6.990 -12.034 1.00 0.00 C ATOM 868 O SER B 39 -12.231 6.129 -12.318 1.00 0.00 O ATOM 869 CB SER B 39 -10.547 7.157 -14.440 1.00 0.00 C ATOM 870 OG SER B 39 -10.729 5.791 -14.790 1.00 0.00 O ATOM 0 H SER B 39 -9.199 5.557 -12.462 1.00 0.00 H new ATOM 0 HA SER B 39 -10.016 8.368 -12.773 1.00 0.00 H new ATOM 0 HB2 SER B 39 -11.450 7.719 -14.678 1.00 0.00 H new ATOM 0 HB3 SER B 39 -9.740 7.583 -15.036 1.00 0.00 H new ATOM 0 HG SER B 39 -11.293 5.354 -14.119 1.00 0.00 H new ATOM 876 N ASP B 40 -11.438 7.726 -10.924 1.00 0.00 N ATOM 877 CA ASP B 40 -12.456 7.731 -9.876 1.00 0.00 C ATOM 878 C ASP B 40 -12.669 6.358 -9.215 1.00 0.00 C ATOM 879 O ASP B 40 -12.131 6.114 -8.140 1.00 0.00 O ATOM 880 CB ASP B 40 -13.728 8.416 -10.413 1.00 0.00 C ATOM 881 CG ASP B 40 -14.631 8.924 -9.285 1.00 0.00 C ATOM 882 OD1 ASP B 40 -14.131 9.709 -8.441 1.00 0.00 O ATOM 883 OD2 ASP B 40 -15.821 8.542 -9.231 1.00 0.00 O ATOM 0 H ASP B 40 -10.694 8.392 -10.718 1.00 0.00 H new ATOM 0 HA ASP B 40 -12.103 8.328 -9.035 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -13.446 9.251 -11.054 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -14.284 7.712 -11.032 1.00 0.00 H new ATOM 888 N GLU B 41 -13.381 5.434 -9.857 1.00 0.00 N ATOM 889 CA GLU B 41 -13.684 4.085 -9.362 1.00 0.00 C ATOM 890 C GLU B 41 -12.425 3.309 -8.957 1.00 0.00 C ATOM 891 O GLU B 41 -12.332 2.811 -7.838 1.00 0.00 O ATOM 892 CB GLU B 41 -14.435 3.300 -10.445 1.00 0.00 C ATOM 893 CG GLU B 41 -15.783 3.925 -10.819 1.00 0.00 C ATOM 894 CD GLU B 41 -16.940 3.344 -9.982 1.00 0.00 C ATOM 895 OE1 GLU B 41 -17.063 3.692 -8.782 1.00 0.00 O ATOM 896 OE2 GLU B 41 -17.739 2.538 -10.520 1.00 0.00 O ATOM 0 H GLU B 41 -13.782 5.609 -10.778 1.00 0.00 H new ATOM 0 HA GLU B 41 -14.300 4.199 -8.470 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -13.811 3.237 -11.337 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -14.599 2.280 -10.097 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -15.736 5.004 -10.672 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -15.980 3.755 -11.878 1.00 0.00 H new ATOM 903 N GLN B 42 -11.438 3.242 -9.855 1.00 0.00 N ATOM 904 CA GLN B 42 -10.130 2.614 -9.615 1.00 0.00 C ATOM 905 C GLN B 42 -9.395 3.240 -8.413 1.00 0.00 C ATOM 906 O GLN B 42 -8.874 2.506 -7.571 1.00 0.00 O ATOM 907 CB GLN B 42 -9.280 2.659 -10.889 1.00 0.00 C ATOM 908 CG GLN B 42 -9.665 1.606 -11.947 1.00 0.00 C ATOM 909 CD GLN B 42 -11.081 1.755 -12.501 1.00 0.00 C ATOM 910 OE1 GLN B 42 -11.990 1.005 -12.174 1.00 0.00 O ATOM 911 NE2 GLN B 42 -11.336 2.731 -13.347 1.00 0.00 N ATOM 0 H GLN B 42 -11.526 3.632 -10.793 1.00 0.00 H new ATOM 0 HA GLN B 42 -10.302 1.570 -9.355 1.00 0.00 H new ATOM 0 HB2 GLN B 42 -9.365 3.651 -11.333 1.00 0.00 H new ATOM 0 HB3 GLN B 42 -8.233 2.519 -10.618 1.00 0.00 H new ATOM 0 HG2 GLN B 42 -8.957 1.664 -12.774 1.00 0.00 H new ATOM 0 HG3 GLN B 42 -9.562 0.614 -11.508 1.00 0.00 H new ATOM 0 HE21 GLN B 42 -10.591 3.367 -13.632 1.00 0.00 H new ATOM 0 HE22 GLN B 42 -12.279 2.851 -13.718 1.00 0.00 H new ATOM 920 N TYR B 43 -9.389 4.575 -8.282 1.00 0.00 N ATOM 921 CA TYR B 43 -8.794 5.237 -7.112 1.00 0.00 C ATOM 922 C TYR B 43 -9.551 4.927 -5.810 1.00 0.00 C ATOM 923 O TYR B 43 -8.944 4.663 -4.773 1.00 0.00 O ATOM 924 CB TYR B 43 -8.725 6.750 -7.334 1.00 0.00 C ATOM 925 CG TYR B 43 -7.911 7.447 -6.261 1.00 0.00 C ATOM 926 CD1 TYR B 43 -6.503 7.432 -6.328 1.00 0.00 C ATOM 927 CD2 TYR B 43 -8.555 8.052 -5.163 1.00 0.00 C ATOM 928 CE1 TYR B 43 -5.742 8.038 -5.309 1.00 0.00 C ATOM 929 CE2 TYR B 43 -7.796 8.656 -4.141 1.00 0.00 C ATOM 930 CZ TYR B 43 -6.385 8.650 -4.212 1.00 0.00 C ATOM 931 OH TYR B 43 -5.642 9.228 -3.229 1.00 0.00 O ATOM 0 H TYR B 43 -9.788 5.215 -8.969 1.00 0.00 H new ATOM 0 HA TYR B 43 -7.786 4.839 -7.001 1.00 0.00 H new ATOM 0 HB2 TYR B 43 -8.286 6.953 -8.311 1.00 0.00 H new ATOM 0 HB3 TYR B 43 -9.735 7.161 -7.347 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -6.007 6.956 -7.161 1.00 0.00 H new ATOM 0 HD2 TYR B 43 -9.633 8.053 -5.105 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -4.664 8.034 -5.368 1.00 0.00 H new ATOM 0 HE2 TYR B 43 -8.293 9.123 -3.304 1.00 0.00 H new ATOM 0 HH TYR B 43 -6.237 9.605 -2.548 1.00 0.00 H new ATOM 941 N GLN B 44 -10.883 4.912 -5.863 1.00 0.00 N ATOM 942 CA GLN B 44 -11.736 4.577 -4.724 1.00 0.00 C ATOM 943 C GLN B 44 -11.583 3.115 -4.290 1.00 0.00 C ATOM 944 O GLN B 44 -11.567 2.842 -3.092 1.00 0.00 O ATOM 945 CB GLN B 44 -13.213 4.897 -5.005 1.00 0.00 C ATOM 946 CG GLN B 44 -13.620 6.301 -4.533 1.00 0.00 C ATOM 947 CD GLN B 44 -13.250 7.411 -5.512 1.00 0.00 C ATOM 948 OE1 GLN B 44 -12.178 8.003 -5.473 1.00 0.00 O ATOM 949 NE2 GLN B 44 -14.155 7.761 -6.398 1.00 0.00 N ATOM 0 H GLN B 44 -11.406 5.135 -6.710 1.00 0.00 H new ATOM 0 HA GLN B 44 -11.399 5.205 -3.899 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -13.401 4.810 -6.075 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -13.841 4.156 -4.510 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -14.697 6.320 -4.367 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -13.145 6.503 -3.573 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -15.049 7.271 -6.435 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -13.963 8.522 -7.049 1.00 0.00 H new ATOM 958 N LYS B 45 -11.415 2.172 -5.225 1.00 0.00 N ATOM 959 CA LYS B 45 -11.070 0.777 -4.926 1.00 0.00 C ATOM 960 C LYS B 45 -9.730 0.688 -4.196 1.00 0.00 C ATOM 961 O LYS B 45 -9.652 0.011 -3.174 1.00 0.00 O ATOM 962 CB LYS B 45 -11.102 -0.076 -6.209 1.00 0.00 C ATOM 963 CG LYS B 45 -12.107 -1.238 -6.119 1.00 0.00 C ATOM 964 CD LYS B 45 -11.673 -2.346 -5.144 1.00 0.00 C ATOM 965 CE LYS B 45 -12.772 -3.399 -4.913 1.00 0.00 C ATOM 966 NZ LYS B 45 -13.120 -4.170 -6.140 1.00 0.00 N ATOM 0 H LYS B 45 -11.516 2.359 -6.223 1.00 0.00 H new ATOM 0 HA LYS B 45 -11.821 0.367 -4.250 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -11.360 0.558 -7.057 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -10.106 -0.475 -6.401 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -13.075 -0.848 -5.806 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.242 -1.669 -7.111 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -10.781 -2.837 -5.533 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -11.399 -1.897 -4.189 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -12.444 -4.092 -4.138 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -13.667 -2.903 -4.538 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -13.865 -4.861 -5.916 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -13.462 -3.518 -6.874 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -12.277 -4.670 -6.487 1.00 0.00 H new ATOM 980 N LEU B 46 -8.712 1.436 -4.636 1.00 0.00 N ATOM 981 CA LEU B 46 -7.448 1.568 -3.921 1.00 0.00 C ATOM 982 C LEU B 46 -7.611 2.129 -2.507 1.00 0.00 C ATOM 983 O LEU B 46 -7.021 1.606 -1.569 1.00 0.00 O ATOM 984 CB LEU B 46 -6.515 2.438 -4.765 1.00 0.00 C ATOM 985 CG LEU B 46 -5.493 1.629 -5.556 1.00 0.00 C ATOM 986 CD1 LEU B 46 -4.354 1.183 -4.624 1.00 0.00 C ATOM 987 CD2 LEU B 46 -6.044 0.439 -6.341 1.00 0.00 C ATOM 0 H LEU B 46 -8.747 1.969 -5.505 1.00 0.00 H new ATOM 0 HA LEU B 46 -7.021 0.575 -3.782 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -7.111 3.034 -5.456 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -5.990 3.136 -4.113 1.00 0.00 H new ATOM 0 HG LEU B 46 -5.127 2.307 -6.327 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -3.625 0.605 -5.192 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -3.868 2.061 -4.197 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -4.760 0.567 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -5.229 -0.061 -6.864 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -6.518 -0.262 -5.654 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -6.779 0.790 -7.066 1.00 0.00 H new ATOM 999 N GLU B 47 -8.435 3.158 -2.329 1.00 0.00 N ATOM 1000 CA GLU B 47 -8.775 3.691 -1.005 1.00 0.00 C ATOM 1001 C GLU B 47 -9.528 2.678 -0.120 1.00 0.00 C ATOM 1002 O GLU B 47 -9.247 2.573 1.075 1.00 0.00 O ATOM 1003 CB GLU B 47 -9.537 5.013 -1.164 1.00 0.00 C ATOM 1004 CG GLU B 47 -9.714 5.761 0.162 1.00 0.00 C ATOM 1005 CD GLU B 47 -10.418 7.114 -0.058 1.00 0.00 C ATOM 1006 OE1 GLU B 47 -11.673 7.151 -0.084 1.00 0.00 O ATOM 1007 OE2 GLU B 47 -9.725 8.152 -0.193 1.00 0.00 O ATOM 0 H GLU B 47 -8.889 3.650 -3.099 1.00 0.00 H new ATOM 0 HA GLU B 47 -7.845 3.887 -0.472 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -9.003 5.652 -1.868 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -10.517 4.812 -1.596 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -10.297 5.152 0.853 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -8.741 5.924 0.625 1.00 0.00 H new ATOM 1014 N LYS B 48 -10.432 1.875 -0.696 1.00 0.00 N ATOM 1015 CA LYS B 48 -11.176 0.816 0.003 1.00 0.00 C ATOM 1016 C LYS B 48 -10.270 -0.333 0.451 1.00 0.00 C ATOM 1017 O LYS B 48 -10.438 -0.858 1.550 1.00 0.00 O ATOM 1018 CB LYS B 48 -12.322 0.288 -0.883 1.00 0.00 C ATOM 1019 CG LYS B 48 -13.567 1.191 -0.880 1.00 0.00 C ATOM 1020 CD LYS B 48 -14.391 1.037 0.409 1.00 0.00 C ATOM 1021 CE LYS B 48 -15.679 1.865 0.326 1.00 0.00 C ATOM 1022 NZ LYS B 48 -16.525 1.678 1.534 1.00 0.00 N ATOM 0 H LYS B 48 -10.673 1.944 -1.685 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.598 1.260 0.904 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -11.961 0.184 -1.906 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.605 -0.708 -0.542 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -13.260 2.231 -0.991 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -14.192 0.949 -1.740 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -14.636 -0.013 0.567 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -13.800 1.359 1.266 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -15.428 2.920 0.216 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -16.242 1.577 -0.562 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -17.388 2.252 1.446 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -16.784 0.675 1.625 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -15.996 1.976 2.378 1.00 0.00 H new ATOM 1036 N MET B 49 -9.283 -0.685 -0.371 1.00 0.00 N ATOM 1037 CA MET B 49 -8.216 -1.626 -0.076 1.00 0.00 C ATOM 1038 C MET B 49 -7.326 -1.082 1.050 1.00 0.00 C ATOM 1039 O MET B 49 -7.138 -1.731 2.077 1.00 0.00 O ATOM 1040 CB MET B 49 -7.429 -1.803 -1.377 1.00 0.00 C ATOM 1041 CG MET B 49 -8.107 -2.730 -2.392 1.00 0.00 C ATOM 1042 SD MET B 49 -7.561 -2.492 -4.110 1.00 0.00 S ATOM 1043 CE MET B 49 -5.766 -2.648 -3.932 1.00 0.00 C ATOM 0 H MET B 49 -9.207 -0.297 -1.311 1.00 0.00 H new ATOM 0 HA MET B 49 -8.605 -2.584 0.269 1.00 0.00 H new ATOM 0 HB2 MET B 49 -7.280 -0.826 -1.836 1.00 0.00 H new ATOM 0 HB3 MET B 49 -6.441 -2.199 -1.142 1.00 0.00 H new ATOM 0 HG2 MET B 49 -7.918 -3.764 -2.104 1.00 0.00 H new ATOM 0 HG3 MET B 49 -9.185 -2.577 -2.342 1.00 0.00 H new ATOM 0 HE1 MET B 49 -5.303 -2.667 -4.919 1.00 0.00 H new ATOM 0 HE2 MET B 49 -5.381 -1.799 -3.367 1.00 0.00 H new ATOM 0 HE3 MET B 49 -5.532 -3.572 -3.403 1.00 0.00 H new ATOM 1053 N ALA B 50 -6.845 0.151 0.892 1.00 0.00 N ATOM 1054 CA ALA B 50 -6.011 0.874 1.846 1.00 0.00 C ATOM 1055 C ALA B 50 -6.647 1.043 3.230 1.00 0.00 C ATOM 1056 O ALA B 50 -5.940 0.953 4.233 1.00 0.00 O ATOM 1057 CB ALA B 50 -5.662 2.215 1.205 1.00 0.00 C ATOM 0 H ALA B 50 -7.037 0.698 0.053 1.00 0.00 H new ATOM 0 HA ALA B 50 -5.113 0.290 2.048 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -5.036 2.792 1.886 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -5.122 2.044 0.274 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -6.578 2.768 0.997 1.00 0.00 H new ATOM 1063 N ASN B 51 -7.963 1.236 3.318 1.00 0.00 N ATOM 1064 CA ASN B 51 -8.694 1.292 4.585 1.00 0.00 C ATOM 1065 C ASN B 51 -8.584 -0.013 5.403 1.00 0.00 C ATOM 1066 O ASN B 51 -8.634 0.034 6.631 1.00 0.00 O ATOM 1067 CB ASN B 51 -10.147 1.673 4.275 1.00 0.00 C ATOM 1068 CG ASN B 51 -10.988 1.833 5.530 1.00 0.00 C ATOM 1069 OD1 ASN B 51 -10.793 2.740 6.326 1.00 0.00 O ATOM 1070 ND2 ASN B 51 -11.957 0.969 5.747 1.00 0.00 N ATOM 0 H ASN B 51 -8.560 1.360 2.500 1.00 0.00 H new ATOM 0 HA ASN B 51 -8.244 2.050 5.227 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -10.162 2.605 3.710 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -10.592 0.908 3.639 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -12.543 1.057 6.577 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -12.122 0.211 5.085 1.00 0.00 H new ATOM 1077 N GLU B 52 -8.357 -1.163 4.760 1.00 0.00 N ATOM 1078 CA GLU B 52 -8.092 -2.442 5.430 1.00 0.00 C ATOM 1079 C GLU B 52 -6.687 -2.515 6.072 1.00 0.00 C ATOM 1080 O GLU B 52 -6.507 -3.185 7.089 1.00 0.00 O ATOM 1081 CB GLU B 52 -8.328 -3.606 4.450 1.00 0.00 C ATOM 1082 CG GLU B 52 -8.551 -4.938 5.177 1.00 0.00 C ATOM 1083 CD GLU B 52 -8.934 -6.058 4.191 1.00 0.00 C ATOM 1084 OE1 GLU B 52 -10.138 -6.195 3.859 1.00 0.00 O ATOM 1085 OE2 GLU B 52 -8.040 -6.826 3.758 1.00 0.00 O ATOM 0 H GLU B 52 -8.352 -1.233 3.742 1.00 0.00 H new ATOM 0 HA GLU B 52 -8.795 -2.525 6.259 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -9.194 -3.384 3.827 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -7.471 -3.697 3.783 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -7.644 -5.218 5.714 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -9.339 -4.821 5.921 1.00 0.00 H new ATOM 1092 N GLU B 53 -5.701 -1.778 5.540 1.00 0.00 N ATOM 1093 CA GLU B 53 -4.400 -1.521 6.187 1.00 0.00 C ATOM 1094 C GLU B 53 -4.421 -0.268 7.095 1.00 0.00 C ATOM 1095 O GLU B 53 -3.427 0.051 7.750 1.00 0.00 O ATOM 1096 CB GLU B 53 -3.289 -1.415 5.119 1.00 0.00 C ATOM 1097 CG GLU B 53 -2.404 -2.671 5.090 1.00 0.00 C ATOM 1098 CD GLU B 53 -1.110 -2.469 4.278 1.00 0.00 C ATOM 1099 OE1 GLU B 53 -0.287 -1.591 4.631 1.00 0.00 O ATOM 1100 OE2 GLU B 53 -0.836 -3.245 3.333 1.00 0.00 O ATOM 0 H GLU B 53 -5.785 -1.332 4.626 1.00 0.00 H new ATOM 0 HA GLU B 53 -4.188 -2.368 6.840 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -3.741 -1.266 4.138 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -2.672 -0.540 5.322 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -2.147 -2.953 6.111 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -2.970 -3.499 4.664 1.00 0.00 H new ATOM 1107 N GLU B 54 -5.568 0.414 7.164 1.00 0.00 N ATOM 1108 CA GLU B 54 -5.864 1.630 7.934 1.00 0.00 C ATOM 1109 C GLU B 54 -5.197 2.887 7.330 1.00 0.00 C ATOM 1110 O GLU B 54 -4.505 3.652 8.005 1.00 0.00 O ATOM 1111 CB GLU B 54 -5.629 1.405 9.442 1.00 0.00 C ATOM 1112 CG GLU B 54 -6.495 2.343 10.291 1.00 0.00 C ATOM 1113 CD GLU B 54 -6.208 2.155 11.794 1.00 0.00 C ATOM 1114 OE1 GLU B 54 -6.840 1.279 12.433 1.00 0.00 O ATOM 1115 OE2 GLU B 54 -5.358 2.890 12.355 1.00 0.00 O ATOM 0 H GLU B 54 -6.385 0.104 6.638 1.00 0.00 H new ATOM 0 HA GLU B 54 -6.929 1.847 7.849 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -5.855 0.369 9.696 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -4.577 1.568 9.676 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -6.302 3.378 10.007 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -7.549 2.149 10.092 1.00 0.00 H new ATOM 1122 N GLU B 55 -5.457 3.097 6.033 1.00 0.00 N ATOM 1123 CA GLU B 55 -5.039 4.217 5.173 1.00 0.00 C ATOM 1124 C GLU B 55 -3.546 4.191 4.788 1.00 0.00 C ATOM 1125 O GLU B 55 -2.642 4.528 5.555 1.00 0.00 O ATOM 1126 CB GLU B 55 -5.520 5.566 5.718 1.00 0.00 C ATOM 1127 CG GLU B 55 -5.393 6.694 4.685 1.00 0.00 C ATOM 1128 CD GLU B 55 -5.877 8.034 5.273 1.00 0.00 C ATOM 1129 OE1 GLU B 55 -7.098 8.318 5.226 1.00 0.00 O ATOM 1130 OE2 GLU B 55 -5.038 8.820 5.778 1.00 0.00 O ATOM 0 H GLU B 55 -6.018 2.426 5.508 1.00 0.00 H new ATOM 0 HA GLU B 55 -5.550 4.075 4.221 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -6.561 5.478 6.030 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -4.942 5.823 6.605 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -4.355 6.786 4.366 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -5.978 6.449 3.799 1.00 0.00 H new ATOM 1137 N SER B 56 -3.317 3.752 3.551 1.00 0.00 N ATOM 1138 CA SER B 56 -2.039 3.398 2.920 1.00 0.00 C ATOM 1139 C SER B 56 -2.109 3.589 1.390 1.00 0.00 C ATOM 1140 O SER B 56 -1.504 2.841 0.620 1.00 0.00 O ATOM 1141 CB SER B 56 -1.704 1.941 3.288 1.00 0.00 C ATOM 1142 OG SER B 56 -2.793 1.084 2.989 1.00 0.00 O ATOM 0 H SER B 56 -4.093 3.622 2.901 1.00 0.00 H new ATOM 0 HA SER B 56 -1.250 4.055 3.285 1.00 0.00 H new ATOM 0 HB2 SER B 56 -0.819 1.617 2.740 1.00 0.00 H new ATOM 0 HB3 SER B 56 -1.464 1.875 4.349 1.00 0.00 H new ATOM 0 HG SER B 56 -3.383 1.021 3.769 1.00 0.00 H new ATOM 1148 N VAL B 57 -2.921 4.543 0.911 1.00 0.00 N ATOM 1149 CA VAL B 57 -3.286 4.666 -0.514 1.00 0.00 C ATOM 1150 C VAL B 57 -2.050 4.923 -1.389 1.00 0.00 C ATOM 1151 O VAL B 57 -1.334 5.909 -1.205 1.00 0.00 O ATOM 1152 CB VAL B 57 -4.357 5.749 -0.786 1.00 0.00 C ATOM 1153 CG1 VAL B 57 -5.068 5.451 -2.115 1.00 0.00 C ATOM 1154 CG2 VAL B 57 -5.438 5.852 0.300 1.00 0.00 C ATOM 0 H VAL B 57 -3.347 5.257 1.502 1.00 0.00 H new ATOM 0 HA VAL B 57 -3.727 3.706 -0.783 1.00 0.00 H new ATOM 0 HB VAL B 57 -3.815 6.694 -0.807 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -5.822 6.215 -2.304 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -4.339 5.452 -2.926 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -5.548 4.474 -2.060 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -6.149 6.634 0.033 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -5.961 4.899 0.384 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -4.972 6.096 1.255 1.00 0.00 H new ATOM 1164 N GLY B 58 -1.775 3.999 -2.312 1.00 0.00 N ATOM 1165 CA GLY B 58 -0.571 3.962 -3.152 1.00 0.00 C ATOM 1166 C GLY B 58 0.460 2.972 -2.610 1.00 0.00 C ATOM 1167 O GLY B 58 0.923 2.094 -3.335 1.00 0.00 O ATOM 0 H GLY B 58 -2.409 3.224 -2.504 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -0.845 3.683 -4.170 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -0.130 4.958 -3.202 1.00 0.00 H new ATOM 1171 N SER B 59 0.744 3.010 -1.310 1.00 0.00 N ATOM 1172 CA SER B 59 1.537 1.982 -0.630 1.00 0.00 C ATOM 1173 C SER B 59 0.894 0.596 -0.757 1.00 0.00 C ATOM 1174 O SER B 59 1.605 -0.389 -0.954 1.00 0.00 O ATOM 1175 CB SER B 59 1.706 2.338 0.846 1.00 0.00 C ATOM 1176 OG SER B 59 2.191 3.662 1.024 1.00 0.00 O ATOM 0 H SER B 59 0.430 3.759 -0.693 1.00 0.00 H new ATOM 0 HA SER B 59 2.514 1.947 -1.112 1.00 0.00 H new ATOM 0 HB2 SER B 59 0.749 2.231 1.356 1.00 0.00 H new ATOM 0 HB3 SER B 59 2.396 1.634 1.312 1.00 0.00 H new ATOM 0 HG SER B 59 2.283 3.851 1.981 1.00 0.00 H new ATOM 1182 N TYR B 60 -0.444 0.510 -0.741 1.00 0.00 N ATOM 1183 CA TYR B 60 -1.188 -0.728 -1.011 1.00 0.00 C ATOM 1184 C TYR B 60 -0.991 -1.243 -2.446 1.00 0.00 C ATOM 1185 O TYR B 60 -0.876 -2.445 -2.670 1.00 0.00 O ATOM 1186 CB TYR B 60 -2.680 -0.509 -0.737 1.00 0.00 C ATOM 1187 CG TYR B 60 -3.381 -1.759 -0.235 1.00 0.00 C ATOM 1188 CD1 TYR B 60 -3.739 -2.788 -1.129 1.00 0.00 C ATOM 1189 CD2 TYR B 60 -3.646 -1.911 1.140 1.00 0.00 C ATOM 1190 CE1 TYR B 60 -4.395 -3.942 -0.654 1.00 0.00 C ATOM 1191 CE2 TYR B 60 -4.301 -3.060 1.619 1.00 0.00 C ATOM 1192 CZ TYR B 60 -4.686 -4.077 0.719 1.00 0.00 C ATOM 1193 OH TYR B 60 -5.330 -5.192 1.162 1.00 0.00 O ATOM 0 H TYR B 60 -1.047 1.308 -0.538 1.00 0.00 H new ATOM 0 HA TYR B 60 -0.790 -1.491 -0.341 1.00 0.00 H new ATOM 0 HB2 TYR B 60 -2.796 0.286 -0.001 1.00 0.00 H new ATOM 0 HB3 TYR B 60 -3.166 -0.169 -1.652 1.00 0.00 H new ATOM 0 HD1 TYR B 60 -3.510 -2.692 -2.180 1.00 0.00 H new ATOM 0 HD2 TYR B 60 -3.344 -1.139 1.832 1.00 0.00 H new ATOM 0 HE1 TYR B 60 -4.675 -4.725 -1.344 1.00 0.00 H new ATOM 0 HE2 TYR B 60 -4.509 -3.164 2.674 1.00 0.00 H new ATOM 0 HH TYR B 60 -5.455 -5.134 2.132 1.00 0.00 H new ATOM 1203 N ILE B 61 -0.906 -0.332 -3.420 1.00 0.00 N ATOM 1204 CA ILE B 61 -0.570 -0.649 -4.827 1.00 0.00 C ATOM 1205 C ILE B 61 0.781 -1.351 -4.883 1.00 0.00 C ATOM 1206 O ILE B 61 0.905 -2.439 -5.448 1.00 0.00 O ATOM 1207 CB ILE B 61 -0.640 0.613 -5.735 1.00 0.00 C ATOM 1208 CG1 ILE B 61 -1.628 0.380 -6.891 1.00 0.00 C ATOM 1209 CG2 ILE B 61 0.666 1.107 -6.397 1.00 0.00 C ATOM 1210 CD1 ILE B 61 -2.239 1.686 -7.394 1.00 0.00 C ATOM 0 H ILE B 61 -1.069 0.662 -3.260 1.00 0.00 H new ATOM 0 HA ILE B 61 -1.317 -1.334 -5.228 1.00 0.00 H new ATOM 0 HB ILE B 61 -0.937 1.382 -5.022 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -1.114 -0.119 -7.712 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -2.423 -0.288 -6.559 1.00 0.00 H new ATOM 0 HG21 ILE B 61 0.457 1.992 -6.997 1.00 0.00 H new ATOM 0 HG22 ILE B 61 1.394 1.356 -5.625 1.00 0.00 H new ATOM 0 HG23 ILE B 61 1.069 0.322 -7.037 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -2.930 1.474 -8.210 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -2.776 2.173 -6.581 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -1.447 2.344 -7.751 1.00 0.00 H new ATOM 1222 N LYS B 62 1.775 -0.759 -4.213 1.00 0.00 N ATOM 1223 CA LYS B 62 3.116 -1.328 -4.099 1.00 0.00 C ATOM 1224 C LYS B 62 3.061 -2.693 -3.414 1.00 0.00 C ATOM 1225 O LYS B 62 3.535 -3.668 -3.982 1.00 0.00 O ATOM 1226 CB LYS B 62 4.069 -0.336 -3.400 1.00 0.00 C ATOM 1227 CG LYS B 62 5.428 -0.283 -4.118 1.00 0.00 C ATOM 1228 CD LYS B 62 6.567 0.316 -3.279 1.00 0.00 C ATOM 1229 CE LYS B 62 6.309 1.777 -2.890 1.00 0.00 C ATOM 1230 NZ LYS B 62 7.482 2.364 -2.185 1.00 0.00 N ATOM 0 H LYS B 62 1.668 0.134 -3.732 1.00 0.00 H new ATOM 0 HA LYS B 62 3.523 -1.496 -5.096 1.00 0.00 H new ATOM 0 HB2 LYS B 62 3.621 0.658 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.213 -0.634 -2.362 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.706 -1.293 -4.417 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.320 0.302 -5.031 1.00 0.00 H new ATOM 0 HD2 LYS B 62 6.699 -0.279 -2.375 1.00 0.00 H new ATOM 0 HD3 LYS B 62 7.499 0.253 -3.841 1.00 0.00 H new ATOM 0 HE2 LYS B 62 6.090 2.360 -3.784 1.00 0.00 H new ATOM 0 HE3 LYS B 62 5.430 1.835 -2.248 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 7.177 3.191 -1.632 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 7.895 1.654 -1.547 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 8.195 2.658 -2.883 1.00 0.00 H new ATOM 1244 N ARG B 63 2.395 -2.802 -2.260 1.00 0.00 N ATOM 1245 CA ARG B 63 2.171 -4.051 -1.503 1.00 0.00 C ATOM 1246 C ARG B 63 1.663 -5.176 -2.407 1.00 0.00 C ATOM 1247 O ARG B 63 2.211 -6.270 -2.379 1.00 0.00 O ATOM 1248 CB ARG B 63 1.195 -3.783 -0.336 1.00 0.00 C ATOM 1249 CG ARG B 63 1.078 -4.938 0.678 1.00 0.00 C ATOM 1250 CD ARG B 63 2.153 -4.884 1.770 1.00 0.00 C ATOM 1251 NE ARG B 63 1.899 -3.783 2.720 1.00 0.00 N ATOM 1252 CZ ARG B 63 2.780 -3.097 3.424 1.00 0.00 C ATOM 1253 NH1 ARG B 63 4.060 -3.338 3.366 1.00 0.00 N ATOM 1254 NH2 ARG B 63 2.386 -2.145 4.216 1.00 0.00 N ATOM 0 H ARG B 63 1.977 -1.991 -1.803 1.00 0.00 H new ATOM 0 HA ARG B 63 3.125 -4.384 -1.095 1.00 0.00 H new ATOM 0 HB2 ARG B 63 1.517 -2.885 0.191 1.00 0.00 H new ATOM 0 HB3 ARG B 63 0.207 -3.575 -0.746 1.00 0.00 H new ATOM 0 HG2 ARG B 63 0.093 -4.908 1.143 1.00 0.00 H new ATOM 0 HG3 ARG B 63 1.152 -5.888 0.149 1.00 0.00 H new ATOM 0 HD2 ARG B 63 2.177 -5.832 2.307 1.00 0.00 H new ATOM 0 HD3 ARG B 63 3.133 -4.753 1.312 1.00 0.00 H new ATOM 0 HE ARG B 63 0.922 -3.520 2.848 1.00 0.00 H new ATOM 0 HH11 ARG B 63 4.412 -4.079 2.761 1.00 0.00 H new ATOM 0 HH12 ARG B 63 4.709 -2.785 3.926 1.00 0.00 H new ATOM 0 HH21 ARG B 63 1.393 -1.926 4.295 1.00 0.00 H new ATOM 0 HH22 ARG B 63 3.070 -1.617 4.758 1.00 0.00 H new ATOM 1268 N TYR B 64 0.661 -4.899 -3.239 1.00 0.00 N ATOM 1269 CA TYR B 64 0.013 -5.865 -4.129 1.00 0.00 C ATOM 1270 C TYR B 64 0.933 -6.340 -5.262 1.00 0.00 C ATOM 1271 O TYR B 64 1.020 -7.528 -5.566 1.00 0.00 O ATOM 1272 CB TYR B 64 -1.263 -5.243 -4.715 1.00 0.00 C ATOM 1273 CG TYR B 64 -2.411 -6.232 -4.790 1.00 0.00 C ATOM 1274 CD1 TYR B 64 -2.353 -7.331 -5.671 1.00 0.00 C ATOM 1275 CD2 TYR B 64 -3.510 -6.090 -3.922 1.00 0.00 C ATOM 1276 CE1 TYR B 64 -3.380 -8.294 -5.668 1.00 0.00 C ATOM 1277 CE2 TYR B 64 -4.547 -7.041 -3.927 1.00 0.00 C ATOM 1278 CZ TYR B 64 -4.485 -8.147 -4.801 1.00 0.00 C ATOM 1279 OH TYR B 64 -5.462 -9.091 -4.763 1.00 0.00 O ATOM 0 H TYR B 64 0.263 -3.963 -3.316 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.233 -6.744 -3.533 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -1.561 -4.391 -4.104 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -1.051 -4.861 -5.714 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -1.519 -7.434 -6.350 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -3.557 -5.247 -3.249 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -3.323 -9.146 -6.329 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -5.390 -6.924 -3.262 1.00 0.00 H new ATOM 0 HH TYR B 64 -6.144 -8.829 -4.110 1.00 0.00 H new ATOM 1289 N ILE B 65 1.652 -5.401 -5.867 1.00 0.00 N ATOM 1290 CA ILE B 65 2.646 -5.647 -6.916 1.00 0.00 C ATOM 1291 C ILE B 65 3.828 -6.434 -6.349 1.00 0.00 C ATOM 1292 O ILE B 65 4.309 -7.364 -6.987 1.00 0.00 O ATOM 1293 CB ILE B 65 3.071 -4.306 -7.547 1.00 0.00 C ATOM 1294 CG1 ILE B 65 1.916 -3.673 -8.354 1.00 0.00 C ATOM 1295 CG2 ILE B 65 4.333 -4.413 -8.417 1.00 0.00 C ATOM 1296 CD1 ILE B 65 1.573 -4.360 -9.684 1.00 0.00 C ATOM 0 H ILE B 65 1.559 -4.412 -5.636 1.00 0.00 H new ATOM 0 HA ILE B 65 2.213 -6.258 -7.708 1.00 0.00 H new ATOM 0 HB ILE B 65 3.320 -3.654 -6.710 1.00 0.00 H new ATOM 0 HG12 ILE B 65 1.023 -3.667 -7.729 1.00 0.00 H new ATOM 0 HG13 ILE B 65 2.169 -2.633 -8.559 1.00 0.00 H new ATOM 0 HG21 ILE B 65 4.575 -3.433 -8.829 1.00 0.00 H new ATOM 0 HG22 ILE B 65 5.166 -4.766 -7.809 1.00 0.00 H new ATOM 0 HG23 ILE B 65 4.155 -5.115 -9.231 1.00 0.00 H new ATOM 0 HD11 ILE B 65 0.749 -3.832 -10.164 1.00 0.00 H new ATOM 0 HD12 ILE B 65 2.445 -4.343 -10.338 1.00 0.00 H new ATOM 0 HD13 ILE B 65 1.281 -5.393 -9.495 1.00 0.00 H new ATOM 1308 N LEU B 66 4.260 -6.127 -5.125 1.00 0.00 N ATOM 1309 CA LEU B 66 5.393 -6.778 -4.459 1.00 0.00 C ATOM 1310 C LEU B 66 4.990 -8.157 -3.909 1.00 0.00 C ATOM 1311 O LEU B 66 5.814 -9.070 -3.841 1.00 0.00 O ATOM 1312 CB LEU B 66 5.923 -5.824 -3.371 1.00 0.00 C ATOM 1313 CG LEU B 66 6.860 -4.692 -3.867 1.00 0.00 C ATOM 1314 CD1 LEU B 66 6.584 -4.101 -5.257 1.00 0.00 C ATOM 1315 CD2 LEU B 66 6.823 -3.527 -2.880 1.00 0.00 C ATOM 0 H LEU B 66 3.823 -5.403 -4.555 1.00 0.00 H new ATOM 0 HA LEU B 66 6.197 -6.972 -5.169 1.00 0.00 H new ATOM 0 HB2 LEU B 66 5.071 -5.370 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU B 66 6.458 -6.413 -2.626 1.00 0.00 H new ATOM 0 HG LEU B 66 7.826 -5.191 -3.940 1.00 0.00 H new ATOM 0 HD11 LEU B 66 7.315 -3.321 -5.472 1.00 0.00 H new ATOM 0 HD12 LEU B 66 6.660 -4.887 -6.008 1.00 0.00 H new ATOM 0 HD13 LEU B 66 5.581 -3.674 -5.278 1.00 0.00 H new ATOM 0 HD21 LEU B 66 7.482 -2.732 -3.230 1.00 0.00 H new ATOM 0 HD22 LEU B 66 5.804 -3.147 -2.804 1.00 0.00 H new ATOM 0 HD23 LEU B 66 7.156 -3.869 -1.900 1.00 0.00 H new ATOM 1327 N LYS B 67 3.708 -8.349 -3.578 1.00 0.00 N ATOM 1328 CA LYS B 67 3.067 -9.646 -3.331 1.00 0.00 C ATOM 1329 C LYS B 67 3.077 -10.525 -4.584 1.00 0.00 C ATOM 1330 O LYS B 67 3.453 -11.694 -4.509 1.00 0.00 O ATOM 1331 CB LYS B 67 1.646 -9.406 -2.790 1.00 0.00 C ATOM 1332 CG LYS B 67 0.941 -10.701 -2.359 1.00 0.00 C ATOM 1333 CD LYS B 67 -0.424 -10.448 -1.696 1.00 0.00 C ATOM 1334 CE LYS B 67 -1.449 -9.836 -2.665 1.00 0.00 C ATOM 1335 NZ LYS B 67 -2.796 -9.732 -2.039 1.00 0.00 N ATOM 0 H LYS B 67 3.060 -7.569 -3.470 1.00 0.00 H new ATOM 0 HA LYS B 67 3.634 -10.196 -2.580 1.00 0.00 H new ATOM 0 HB2 LYS B 67 1.697 -8.726 -1.939 1.00 0.00 H new ATOM 0 HB3 LYS B 67 1.050 -8.912 -3.557 1.00 0.00 H new ATOM 0 HG2 LYS B 67 0.803 -11.341 -3.231 1.00 0.00 H new ATOM 0 HG3 LYS B 67 1.582 -11.243 -1.664 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -0.814 -11.388 -1.307 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -0.292 -9.781 -0.844 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -1.113 -8.846 -2.975 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -1.511 -10.448 -3.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -3.447 -9.254 -2.694 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -3.155 -10.685 -1.828 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -2.728 -9.184 -1.157 1.00 0.00 H new ATOM 1349 N ALA B 68 2.723 -9.955 -5.736 1.00 0.00 N ATOM 1350 CA ALA B 68 2.748 -10.646 -7.023 1.00 0.00 C ATOM 1351 C ALA B 68 4.176 -10.994 -7.483 1.00 0.00 C ATOM 1352 O ALA B 68 4.421 -12.105 -7.949 1.00 0.00 O ATOM 1353 CB ALA B 68 2.021 -9.782 -8.059 1.00 0.00 C ATOM 0 H ALA B 68 2.407 -8.987 -5.801 1.00 0.00 H new ATOM 0 HA ALA B 68 2.235 -11.601 -6.912 1.00 0.00 H new ATOM 0 HB1 ALA B 68 2.032 -10.286 -9.025 1.00 0.00 H new ATOM 0 HB2 ALA B 68 0.990 -9.626 -7.743 1.00 0.00 H new ATOM 0 HB3 ALA B 68 2.524 -8.819 -8.147 1.00 0.00 H new ATOM 1359 N LEU B 69 5.139 -10.079 -7.321 1.00 0.00 N ATOM 1360 CA LEU B 69 6.511 -10.194 -7.829 1.00 0.00 C ATOM 1361 C LEU B 69 7.287 -11.351 -7.201 1.00 0.00 C ATOM 1362 O LEU B 69 8.139 -11.959 -7.852 1.00 0.00 O ATOM 1363 CB LEU B 69 7.251 -8.860 -7.603 1.00 0.00 C ATOM 1364 CG LEU B 69 7.688 -8.170 -8.903 1.00 0.00 C ATOM 1365 CD1 LEU B 69 6.505 -7.685 -9.736 1.00 0.00 C ATOM 1366 CD2 LEU B 69 8.531 -6.943 -8.571 1.00 0.00 C ATOM 0 H LEU B 69 4.979 -9.208 -6.815 1.00 0.00 H new ATOM 0 HA LEU B 69 6.449 -10.414 -8.895 1.00 0.00 H new ATOM 0 HB2 LEU B 69 6.603 -8.185 -7.044 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.130 -9.042 -6.985 1.00 0.00 H new ATOM 0 HG LEU B 69 8.247 -8.911 -9.474 1.00 0.00 H new ATOM 0 HD11 LEU B 69 6.871 -7.205 -10.643 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.876 -8.534 -10.003 1.00 0.00 H new ATOM 0 HD13 LEU B 69 5.922 -6.969 -9.157 1.00 0.00 H new ATOM 0 HD21 LEU B 69 8.841 -6.454 -9.494 1.00 0.00 H new ATOM 0 HD22 LEU B 69 7.942 -6.248 -7.972 1.00 0.00 H new ATOM 0 HD23 LEU B 69 9.413 -7.249 -8.009 1.00 0.00 H new ATOM 1378 N ARG B 70 6.951 -11.682 -5.951 1.00 0.00 N ATOM 1379 CA ARG B 70 7.480 -12.836 -5.222 1.00 0.00 C ATOM 1380 C ARG B 70 7.177 -14.187 -5.893 1.00 0.00 C ATOM 1381 O ARG B 70 7.956 -15.124 -5.702 1.00 0.00 O ATOM 1382 CB ARG B 70 7.020 -12.781 -3.753 1.00 0.00 C ATOM 1383 CG ARG B 70 7.918 -11.818 -2.954 1.00 0.00 C ATOM 1384 CD ARG B 70 7.440 -11.620 -1.510 1.00 0.00 C ATOM 1385 NE ARG B 70 6.376 -10.601 -1.415 1.00 0.00 N ATOM 1386 CZ ARG B 70 5.722 -10.244 -0.322 1.00 0.00 C ATOM 1387 NH1 ARG B 70 5.892 -10.857 0.815 1.00 0.00 N ATOM 1388 NH2 ARG B 70 4.880 -9.251 -0.342 1.00 0.00 N ATOM 0 H ARG B 70 6.284 -11.138 -5.403 1.00 0.00 H new ATOM 0 HA ARG B 70 8.568 -12.767 -5.247 1.00 0.00 H new ATOM 0 HB2 ARG B 70 5.982 -12.451 -3.701 1.00 0.00 H new ATOM 0 HB3 ARG B 70 7.060 -13.778 -3.313 1.00 0.00 H new ATOM 0 HG2 ARG B 70 8.938 -12.203 -2.945 1.00 0.00 H new ATOM 0 HG3 ARG B 70 7.946 -10.852 -3.458 1.00 0.00 H new ATOM 0 HD2 ARG B 70 7.071 -12.567 -1.117 1.00 0.00 H new ATOM 0 HD3 ARG B 70 8.283 -11.323 -0.886 1.00 0.00 H new ATOM 0 HE ARG B 70 6.119 -10.124 -2.279 1.00 0.00 H new ATOM 0 HH11 ARG B 70 6.545 -11.637 0.881 1.00 0.00 H new ATOM 0 HH12 ARG B 70 5.372 -10.556 1.639 1.00 0.00 H new ATOM 0 HH21 ARG B 70 4.718 -8.737 -1.208 1.00 0.00 H new ATOM 0 HH22 ARG B 70 4.383 -8.987 0.508 1.00 0.00 H new ATOM 1402 N LYS B 71 6.114 -14.287 -6.709 1.00 0.00 N ATOM 1403 CA LYS B 71 5.815 -15.443 -7.582 1.00 0.00 C ATOM 1404 C LYS B 71 4.877 -15.099 -8.763 1.00 0.00 C ATOM 1405 O LYS B 71 3.743 -15.579 -8.808 1.00 0.00 O ATOM 1406 CB LYS B 71 5.283 -16.614 -6.735 1.00 0.00 C ATOM 1407 CG LYS B 71 5.508 -17.968 -7.434 1.00 0.00 C ATOM 1408 CD LYS B 71 4.464 -19.034 -7.051 1.00 0.00 C ATOM 1409 CE LYS B 71 3.522 -19.350 -8.222 1.00 0.00 C ATOM 1410 NZ LYS B 71 2.653 -18.205 -8.594 1.00 0.00 N ATOM 0 H LYS B 71 5.417 -13.546 -6.784 1.00 0.00 H new ATOM 0 HA LYS B 71 6.750 -15.747 -8.052 1.00 0.00 H new ATOM 0 HB2 LYS B 71 5.780 -16.618 -5.765 1.00 0.00 H new ATOM 0 HB3 LYS B 71 4.219 -16.474 -6.547 1.00 0.00 H new ATOM 0 HG2 LYS B 71 5.486 -17.819 -8.514 1.00 0.00 H new ATOM 0 HG3 LYS B 71 6.502 -18.337 -7.183 1.00 0.00 H new ATOM 0 HD2 LYS B 71 4.972 -19.945 -6.736 1.00 0.00 H new ATOM 0 HD3 LYS B 71 3.881 -18.684 -6.199 1.00 0.00 H new ATOM 0 HE2 LYS B 71 4.114 -19.645 -9.088 1.00 0.00 H new ATOM 0 HE3 LYS B 71 2.897 -20.203 -7.958 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 2.217 -18.387 -9.521 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 1.908 -18.088 -7.878 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 3.224 -17.337 -8.644 1.00 0.00 H new