USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 GLN : amide:sc= -7.47! C(o=-12!,f=-11!) USER MOD Set 1.2: A 45 ASN : amide:sc= -4.62! K(o=-12!,f=-9.1) USER MOD Set 2.1: A 36 LYS NZ :NH3+ 162:sc= -0.0211 (180deg=-0.244) USER MOD Set 2.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 THR N :NH3+ 155:sc= 0.0194 (180deg=-0.0862) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 120:sc= -1.21 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 MET CE :methyl -179:sc= -5.84! (180deg=-6.02!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.00495) USER MOD Single : A 31 ASN : amide:sc= -1.17 X(o=-1.2,f=-1.4) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.345! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -43:sc= -0.233! USER MOD Single : A 65 MET CE :methyl 147:sc= -2.9! (180deg=-3.02!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -23.811 38.381 21.298 1.00 0.00 N ATOM 2 CA THR A 1 -23.050 39.556 20.908 1.00 0.00 C ATOM 3 C THR A 1 -21.661 39.150 20.410 1.00 0.00 C ATOM 4 O THR A 1 -20.660 39.757 20.790 1.00 0.00 O ATOM 5 CB THR A 1 -23.012 40.511 22.103 1.00 0.00 C ATOM 6 OG1 THR A 1 -24.355 40.972 22.221 1.00 0.00 O ATOM 7 CG2 THR A 1 -22.207 41.780 21.812 1.00 0.00 C ATOM 0 H1 THR A 1 -24.532 38.651 21.997 1.00 0.00 H new ATOM 0 H2 THR A 1 -24.275 37.974 20.461 1.00 0.00 H new ATOM 0 H3 THR A 1 -23.171 37.676 21.716 1.00 0.00 H new ATOM 0 HA THR A 1 -23.521 40.075 20.073 1.00 0.00 H new ATOM 0 HB THR A 1 -22.584 39.998 22.964 1.00 0.00 H new ATOM 0 HG1 THR A 1 -24.422 41.596 22.974 1.00 0.00 H new ATOM 0 HG21 THR A 1 -22.211 42.423 22.692 1.00 0.00 H new ATOM 0 HG22 THR A 1 -21.180 41.511 21.564 1.00 0.00 H new ATOM 0 HG23 THR A 1 -22.655 42.311 20.972 1.00 0.00 H new ATOM 15 N TYR A 2 -21.645 38.128 19.568 1.00 0.00 N ATOM 16 CA TYR A 2 -20.396 37.634 19.014 1.00 0.00 C ATOM 17 C TYR A 2 -20.650 36.522 17.994 1.00 0.00 C ATOM 18 O TYR A 2 -21.798 36.172 17.725 1.00 0.00 O ATOM 19 CB TYR A 2 -19.610 37.059 20.193 1.00 0.00 C ATOM 20 CG TYR A 2 -20.327 35.921 20.923 1.00 0.00 C ATOM 21 CD1 TYR A 2 -20.332 34.650 20.384 1.00 0.00 C ATOM 22 CD2 TYR A 2 -20.968 36.165 22.120 1.00 0.00 C ATOM 23 CE1 TYR A 2 -21.007 33.580 21.071 1.00 0.00 C ATOM 24 CE2 TYR A 2 -21.643 35.095 22.807 1.00 0.00 C ATOM 25 CZ TYR A 2 -21.629 33.855 22.249 1.00 0.00 C ATOM 26 OH TYR A 2 -22.267 32.843 22.897 1.00 0.00 O ATOM 0 H TYR A 2 -22.477 37.628 19.256 1.00 0.00 H new ATOM 0 HA TYR A 2 -19.859 38.434 18.504 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -18.647 36.696 19.832 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -19.403 37.859 20.903 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -19.830 34.458 19.447 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -20.963 37.159 22.542 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -21.019 32.581 20.660 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -22.149 35.273 23.744 1.00 0.00 H new ATOM 0 HH TYR A 2 -22.665 33.184 23.725 1.00 0.00 H new ATOM 36 N SER A 3 -19.559 35.998 17.454 1.00 0.00 N ATOM 37 CA SER A 3 -19.649 34.933 16.470 1.00 0.00 C ATOM 38 C SER A 3 -18.515 33.928 16.681 1.00 0.00 C ATOM 39 O SER A 3 -17.674 34.111 17.561 1.00 0.00 O ATOM 40 CB SER A 3 -19.604 35.493 15.047 1.00 0.00 C ATOM 41 OG SER A 3 -20.867 35.396 14.395 1.00 0.00 O ATOM 0 H SER A 3 -18.608 36.291 17.679 1.00 0.00 H new ATOM 0 HA SER A 3 -20.605 34.425 16.602 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.291 36.537 15.078 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.855 34.953 14.468 1.00 0.00 H new ATOM 0 HG SER A 3 -20.797 35.765 13.490 1.00 0.00 H new ATOM 47 N LEU A 4 -18.527 32.889 15.860 1.00 0.00 N ATOM 48 CA LEU A 4 -17.510 31.855 15.946 1.00 0.00 C ATOM 49 C LEU A 4 -17.599 30.955 14.711 1.00 0.00 C ATOM 50 O LEU A 4 -18.606 30.281 14.501 1.00 0.00 O ATOM 51 CB LEU A 4 -17.627 31.096 17.269 1.00 0.00 C ATOM 52 CG LEU A 4 -16.308 30.677 17.921 1.00 0.00 C ATOM 53 CD1 LEU A 4 -15.395 29.980 16.911 1.00 0.00 C ATOM 54 CD2 LEU A 4 -15.621 31.872 18.586 1.00 0.00 C ATOM 0 H LEU A 4 -19.225 32.741 15.131 1.00 0.00 H new ATOM 0 HA LEU A 4 -16.515 32.299 15.947 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -18.176 31.719 17.975 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -18.226 30.201 17.100 1.00 0.00 H new ATOM 0 HG LEU A 4 -16.529 29.955 18.707 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.464 29.692 17.400 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -15.892 29.090 16.525 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -15.177 30.660 16.088 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.686 31.547 19.042 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.413 32.636 17.836 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.274 32.286 19.354 1.00 0.00 H new ATOM 66 N ARG A 5 -16.530 30.972 13.928 1.00 0.00 N ATOM 67 CA ARG A 5 -16.475 30.166 12.720 1.00 0.00 C ATOM 68 C ARG A 5 -15.958 28.763 13.042 1.00 0.00 C ATOM 69 O ARG A 5 -15.764 28.421 14.208 1.00 0.00 O ATOM 70 CB ARG A 5 -15.566 30.809 11.671 1.00 0.00 C ATOM 71 CG ARG A 5 -16.280 30.922 10.322 1.00 0.00 C ATOM 72 CD ARG A 5 -16.336 32.377 9.852 1.00 0.00 C ATOM 73 NE ARG A 5 -17.685 32.936 10.094 1.00 0.00 N ATOM 74 CZ ARG A 5 -18.188 33.992 9.442 1.00 0.00 C ATOM 75 NH1 ARG A 5 -17.457 34.611 8.504 1.00 0.00 N ATOM 76 NH2 ARG A 5 -19.422 34.430 9.727 1.00 0.00 N ATOM 0 H ARG A 5 -15.696 31.531 14.106 1.00 0.00 H new ATOM 0 HA ARG A 5 -17.486 30.101 12.318 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -15.259 31.799 12.008 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.659 30.216 11.558 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -15.761 30.316 9.580 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -17.291 30.524 10.407 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.588 32.968 10.381 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -16.095 32.434 8.791 1.00 0.00 H new ATOM 0 HE ARG A 5 -18.268 32.489 10.802 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -16.518 34.278 8.287 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -17.840 35.415 8.007 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -19.978 33.959 10.441 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -19.805 35.234 9.230 1.00 0.00 H new ATOM 90 N THR A 6 -15.749 27.987 11.989 1.00 0.00 N ATOM 91 CA THR A 6 -15.258 26.628 12.145 1.00 0.00 C ATOM 92 C THR A 6 -14.403 26.229 10.941 1.00 0.00 C ATOM 93 O THR A 6 -14.120 27.055 10.074 1.00 0.00 O ATOM 94 CB THR A 6 -16.464 25.713 12.364 1.00 0.00 C ATOM 95 OG1 THR A 6 -17.290 25.947 11.227 1.00 0.00 O ATOM 96 CG2 THR A 6 -17.327 26.153 13.548 1.00 0.00 C ATOM 0 H THR A 6 -15.911 28.273 11.024 1.00 0.00 H new ATOM 0 HA THR A 6 -14.603 26.540 13.012 1.00 0.00 H new ATOM 0 HB THR A 6 -16.118 24.692 12.527 1.00 0.00 H new ATOM 0 HG1 THR A 6 -18.095 25.391 11.287 1.00 0.00 H new ATOM 0 HG21 THR A 6 -18.169 25.469 13.659 1.00 0.00 H new ATOM 0 HG22 THR A 6 -16.728 26.142 14.459 1.00 0.00 H new ATOM 0 HG23 THR A 6 -17.700 27.162 13.371 1.00 0.00 H new ATOM 104 N PHE A 7 -14.014 24.962 10.926 1.00 0.00 N ATOM 105 CA PHE A 7 -13.196 24.443 9.843 1.00 0.00 C ATOM 106 C PHE A 7 -13.520 22.973 9.568 1.00 0.00 C ATOM 107 O PHE A 7 -14.415 22.404 10.190 1.00 0.00 O ATOM 108 CB PHE A 7 -11.738 24.557 10.289 1.00 0.00 C ATOM 109 CG PHE A 7 -10.833 25.274 9.284 1.00 0.00 C ATOM 110 CD1 PHE A 7 -10.835 26.632 9.217 1.00 0.00 C ATOM 111 CD2 PHE A 7 -10.029 24.553 8.459 1.00 0.00 C ATOM 112 CE1 PHE A 7 -9.995 27.297 8.284 1.00 0.00 C ATOM 113 CE2 PHE A 7 -9.189 25.218 7.526 1.00 0.00 C ATOM 114 CZ PHE A 7 -9.191 26.576 7.458 1.00 0.00 C ATOM 0 H PHE A 7 -14.250 24.280 11.647 1.00 0.00 H new ATOM 0 HA PHE A 7 -13.387 25.007 8.930 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -11.700 25.089 11.240 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -11.344 23.556 10.467 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -11.475 27.205 9.872 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -10.029 23.474 8.513 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.995 28.376 8.231 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.549 24.645 6.871 1.00 0.00 H new ATOM 0 HZ PHE A 7 -8.554 27.082 6.748 1.00 0.00 H new ATOM 124 N PHE A 8 -12.773 22.401 8.635 1.00 0.00 N ATOM 125 CA PHE A 8 -12.969 21.008 8.270 1.00 0.00 C ATOM 126 C PHE A 8 -11.695 20.416 7.663 1.00 0.00 C ATOM 127 O PHE A 8 -10.642 21.051 7.680 1.00 0.00 O ATOM 128 CB PHE A 8 -14.083 20.973 7.222 1.00 0.00 C ATOM 129 CG PHE A 8 -15.368 20.296 7.703 1.00 0.00 C ATOM 130 CD1 PHE A 8 -15.321 19.040 8.222 1.00 0.00 C ATOM 131 CD2 PHE A 8 -16.557 20.950 7.610 1.00 0.00 C ATOM 132 CE1 PHE A 8 -16.514 18.411 8.668 1.00 0.00 C ATOM 133 CE2 PHE A 8 -17.750 20.321 8.056 1.00 0.00 C ATOM 134 CZ PHE A 8 -17.703 19.065 8.576 1.00 0.00 C ATOM 0 H PHE A 8 -12.031 22.877 8.121 1.00 0.00 H new ATOM 0 HA PHE A 8 -13.224 20.424 9.154 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -14.314 21.994 6.918 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -13.719 20.451 6.337 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -14.377 18.521 8.295 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -16.594 21.947 7.197 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -16.477 17.413 9.080 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -18.694 20.840 7.982 1.00 0.00 H new ATOM 0 HZ PHE A 8 -18.610 18.587 8.916 1.00 0.00 H new ATOM 144 N VAL A 9 -11.834 19.207 7.140 1.00 0.00 N ATOM 145 CA VAL A 9 -10.708 18.522 6.528 1.00 0.00 C ATOM 146 C VAL A 9 -11.201 17.705 5.332 1.00 0.00 C ATOM 147 O VAL A 9 -11.515 18.264 4.282 1.00 0.00 O ATOM 148 CB VAL A 9 -9.982 17.673 7.573 1.00 0.00 C ATOM 149 CG1 VAL A 9 -10.976 16.860 8.406 1.00 0.00 C ATOM 150 CG2 VAL A 9 -8.944 16.762 6.915 1.00 0.00 C ATOM 0 H VAL A 9 -12.709 18.684 7.127 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.982 19.243 6.152 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.455 18.349 8.246 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.434 16.265 9.141 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.660 17.536 8.919 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.544 16.198 7.752 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.443 16.170 7.680 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.440 16.097 6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.209 17.370 6.387 1.00 0.00 H new ATOM 160 N ARG A 10 -11.254 16.396 5.531 1.00 0.00 N ATOM 161 CA ARG A 10 -11.704 15.497 4.482 1.00 0.00 C ATOM 162 C ARG A 10 -10.604 15.312 3.434 1.00 0.00 C ATOM 163 O ARG A 10 -10.524 16.074 2.472 1.00 0.00 O ATOM 164 CB ARG A 10 -12.964 16.034 3.800 1.00 0.00 C ATOM 165 CG ARG A 10 -13.740 14.906 3.117 1.00 0.00 C ATOM 166 CD ARG A 10 -15.194 15.312 2.870 1.00 0.00 C ATOM 167 NE ARG A 10 -16.105 14.240 3.332 1.00 0.00 N ATOM 168 CZ ARG A 10 -17.361 14.082 2.894 1.00 0.00 C ATOM 169 NH1 ARG A 10 -17.864 14.925 1.982 1.00 0.00 N ATOM 170 NH2 ARG A 10 -18.115 13.081 3.369 1.00 0.00 N ATOM 0 H ARG A 10 -10.993 15.937 6.403 1.00 0.00 H new ATOM 0 HA ARG A 10 -11.936 14.537 4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.600 16.524 4.537 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.690 16.789 3.064 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.263 14.654 2.170 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.709 14.011 3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -15.415 16.240 3.396 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.352 15.502 1.808 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.754 13.581 4.027 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.290 15.687 1.621 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.820 14.804 1.649 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -17.732 12.440 4.064 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -19.071 12.960 3.036 1.00 0.00 H new ATOM 184 N GLU A 11 -9.785 14.295 3.656 1.00 0.00 N ATOM 185 CA GLU A 11 -8.694 14.000 2.744 1.00 0.00 C ATOM 186 C GLU A 11 -8.281 12.532 2.866 1.00 0.00 C ATOM 187 O GLU A 11 -8.553 11.889 3.879 1.00 0.00 O ATOM 188 CB GLU A 11 -7.503 14.927 2.995 1.00 0.00 C ATOM 189 CG GLU A 11 -6.806 14.579 4.312 1.00 0.00 C ATOM 190 CD GLU A 11 -5.921 15.734 4.785 1.00 0.00 C ATOM 191 OE1 GLU A 11 -6.358 16.892 4.614 1.00 0.00 O ATOM 192 OE2 GLU A 11 -4.826 15.432 5.308 1.00 0.00 O ATOM 0 H GLU A 11 -9.855 13.665 4.455 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.041 14.176 1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.794 14.845 2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.843 15.962 3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.552 14.352 5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.201 13.682 4.181 1.00 0.00 H new ATOM 199 N SER A 12 -7.632 12.043 1.820 1.00 0.00 N ATOM 200 CA SER A 12 -7.180 10.662 1.797 1.00 0.00 C ATOM 201 C SER A 12 -6.164 10.463 0.670 1.00 0.00 C ATOM 202 O SER A 12 -5.629 11.431 0.133 1.00 0.00 O ATOM 203 CB SER A 12 -8.357 9.700 1.628 1.00 0.00 C ATOM 204 OG SER A 12 -8.936 9.788 0.329 1.00 0.00 O ATOM 0 H SER A 12 -7.408 12.579 0.981 1.00 0.00 H new ATOM 0 HA SER A 12 -6.702 10.442 2.751 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.019 8.679 1.806 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.116 9.920 2.379 1.00 0.00 H new ATOM 0 HG SER A 12 -9.683 9.157 0.260 1.00 0.00 H new ATOM 210 N ALA A 13 -5.930 9.200 0.345 1.00 0.00 N ATOM 211 CA ALA A 13 -4.988 8.861 -0.708 1.00 0.00 C ATOM 212 C ALA A 13 -5.422 9.536 -2.011 1.00 0.00 C ATOM 213 O ALA A 13 -5.313 10.753 -2.149 1.00 0.00 O ATOM 214 CB ALA A 13 -4.897 7.339 -0.841 1.00 0.00 C ATOM 0 H ALA A 13 -6.376 8.399 0.792 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.991 9.227 -0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.190 7.084 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.557 6.911 0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.879 6.936 -1.089 1.00 0.00 H new ATOM 220 N GLU A 14 -5.904 8.715 -2.933 1.00 0.00 N ATOM 221 CA GLU A 14 -6.354 9.218 -4.219 1.00 0.00 C ATOM 222 C GLU A 14 -5.525 10.435 -4.634 1.00 0.00 C ATOM 223 O GLU A 14 -6.019 11.561 -4.619 1.00 0.00 O ATOM 224 CB GLU A 14 -7.846 9.557 -4.184 1.00 0.00 C ATOM 225 CG GLU A 14 -8.389 9.790 -5.595 1.00 0.00 C ATOM 226 CD GLU A 14 -9.353 10.978 -5.622 1.00 0.00 C ATOM 227 OE1 GLU A 14 -10.387 10.885 -4.925 1.00 0.00 O ATOM 228 OE2 GLU A 14 -9.035 11.951 -6.338 1.00 0.00 O ATOM 0 H GLU A 14 -5.992 7.706 -2.815 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.210 8.435 -4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.396 8.745 -3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.006 10.448 -3.577 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.562 9.972 -6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.901 8.893 -5.944 1.00 0.00 H new ATOM 235 N GLY A 15 -4.278 10.167 -4.994 1.00 0.00 N ATOM 236 CA GLY A 15 -3.376 11.226 -5.411 1.00 0.00 C ATOM 237 C GLY A 15 -2.030 11.115 -4.692 1.00 0.00 C ATOM 238 O GLY A 15 -1.091 11.843 -5.009 1.00 0.00 O ATOM 0 H GLY A 15 -3.872 9.232 -5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.222 11.174 -6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.826 12.196 -5.200 1.00 0.00 H new ATOM 242 N LEU A 16 -1.979 10.198 -3.737 1.00 0.00 N ATOM 243 CA LEU A 16 -0.764 9.982 -2.970 1.00 0.00 C ATOM 244 C LEU A 16 0.407 9.761 -3.930 1.00 0.00 C ATOM 245 O LEU A 16 0.213 9.309 -5.058 1.00 0.00 O ATOM 246 CB LEU A 16 -0.959 8.845 -1.966 1.00 0.00 C ATOM 247 CG LEU A 16 -1.732 7.626 -2.474 1.00 0.00 C ATOM 248 CD1 LEU A 16 -1.232 7.197 -3.855 1.00 0.00 C ATOM 249 CD2 LEU A 16 -1.675 6.480 -1.463 1.00 0.00 C ATOM 0 H LEU A 16 -2.760 9.596 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.527 10.864 -2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.023 8.513 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.479 9.242 -1.094 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.780 7.907 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.798 6.329 -4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.367 8.016 -4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.174 6.940 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.232 5.626 -1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.637 6.191 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.115 6.804 -0.520 1.00 0.00 H new ATOM 261 N THR A 17 1.596 10.090 -3.448 1.00 0.00 N ATOM 262 CA THR A 17 2.798 9.933 -4.248 1.00 0.00 C ATOM 263 C THR A 17 3.366 8.522 -4.086 1.00 0.00 C ATOM 264 O THR A 17 3.094 7.849 -3.093 1.00 0.00 O ATOM 265 CB THR A 17 3.782 11.034 -3.846 1.00 0.00 C ATOM 266 OG1 THR A 17 3.678 11.090 -2.426 1.00 0.00 O ATOM 267 CG2 THR A 17 3.330 12.420 -4.309 1.00 0.00 C ATOM 0 H THR A 17 1.753 10.465 -2.512 1.00 0.00 H new ATOM 0 HA THR A 17 2.582 10.043 -5.311 1.00 0.00 H new ATOM 0 HB THR A 17 4.764 10.815 -4.265 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.551 10.895 -2.026 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.063 13.164 -3.998 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.241 12.430 -5.395 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.363 12.655 -3.864 1.00 0.00 H new ATOM 275 N GLN A 18 4.146 8.115 -5.077 1.00 0.00 N ATOM 276 CA GLN A 18 4.755 6.796 -5.057 1.00 0.00 C ATOM 277 C GLN A 18 5.528 6.588 -3.753 1.00 0.00 C ATOM 278 O GLN A 18 5.584 5.476 -3.231 1.00 0.00 O ATOM 279 CB GLN A 18 5.663 6.592 -6.272 1.00 0.00 C ATOM 280 CG GLN A 18 5.045 5.600 -7.259 1.00 0.00 C ATOM 281 CD GLN A 18 4.527 6.318 -8.506 1.00 0.00 C ATOM 282 OE1 GLN A 18 3.365 6.676 -8.611 1.00 0.00 O ATOM 283 NE2 GLN A 18 5.451 6.508 -9.444 1.00 0.00 N ATOM 0 H GLN A 18 4.370 8.676 -5.899 1.00 0.00 H new ATOM 0 HA GLN A 18 3.962 6.050 -5.109 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.831 7.547 -6.769 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.637 6.227 -5.945 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.788 4.856 -7.546 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.227 5.064 -6.777 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.406 6.183 -9.292 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.204 6.978 -10.315 1.00 0.00 H new ATOM 292 N GLY A 19 6.106 7.676 -3.266 1.00 0.00 N ATOM 293 CA GLY A 19 6.873 7.627 -2.033 1.00 0.00 C ATOM 294 C GLY A 19 5.953 7.478 -0.819 1.00 0.00 C ATOM 295 O GLY A 19 6.304 6.810 0.152 1.00 0.00 O ATOM 0 H GLY A 19 6.059 8.597 -3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.572 6.791 -2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.467 8.535 -1.934 1.00 0.00 H new ATOM 299 N GLU A 20 4.794 8.112 -0.915 1.00 0.00 N ATOM 300 CA GLU A 20 3.821 8.058 0.163 1.00 0.00 C ATOM 301 C GLU A 20 3.268 6.639 0.309 1.00 0.00 C ATOM 302 O GLU A 20 3.072 6.157 1.424 1.00 0.00 O ATOM 303 CB GLU A 20 2.692 9.065 -0.067 1.00 0.00 C ATOM 304 CG GLU A 20 3.061 10.440 0.492 1.00 0.00 C ATOM 305 CD GLU A 20 1.808 11.243 0.846 1.00 0.00 C ATOM 306 OE1 GLU A 20 1.279 11.904 -0.074 1.00 0.00 O ATOM 307 OE2 GLU A 20 1.407 11.178 2.028 1.00 0.00 O ATOM 0 H GLU A 20 4.507 8.666 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 20 4.322 8.329 1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.484 9.146 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.779 8.708 0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.683 10.321 1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.653 10.988 -0.241 1.00 0.00 H new ATOM 314 N LEU A 21 3.033 6.009 -0.833 1.00 0.00 N ATOM 315 CA LEU A 21 2.507 4.655 -0.846 1.00 0.00 C ATOM 316 C LEU A 21 3.472 3.730 -0.102 1.00 0.00 C ATOM 317 O LEU A 21 3.045 2.857 0.651 1.00 0.00 O ATOM 318 CB LEU A 21 2.209 4.209 -2.279 1.00 0.00 C ATOM 319 CG LEU A 21 0.981 3.316 -2.463 1.00 0.00 C ATOM 320 CD1 LEU A 21 0.887 2.275 -1.346 1.00 0.00 C ATOM 321 CD2 LEU A 21 -0.295 4.155 -2.573 1.00 0.00 C ATOM 0 H LEU A 21 3.197 6.412 -1.756 1.00 0.00 H new ATOM 0 HA LEU A 21 1.554 4.612 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.082 5.099 -2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.080 3.677 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 21 1.092 2.772 -3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.005 1.653 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.779 1.648 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.810 2.780 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.154 3.496 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.423 4.743 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.218 4.824 -3.430 1.00 0.00 H new ATOM 333 N MET A 22 4.756 3.953 -0.340 1.00 0.00 N ATOM 334 CA MET A 22 5.786 3.151 0.298 1.00 0.00 C ATOM 335 C MET A 22 5.623 3.159 1.819 1.00 0.00 C ATOM 336 O MET A 22 5.453 2.107 2.434 1.00 0.00 O ATOM 337 CB MET A 22 7.165 3.703 -0.071 1.00 0.00 C ATOM 338 CG MET A 22 8.270 2.972 0.695 1.00 0.00 C ATOM 339 SD MET A 22 9.818 3.116 -0.183 1.00 0.00 S ATOM 340 CE MET A 22 9.502 2.016 -1.552 1.00 0.00 C ATOM 0 H MET A 22 5.107 4.678 -0.966 1.00 0.00 H new ATOM 0 HA MET A 22 5.690 2.124 -0.054 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.329 3.596 -1.143 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.206 4.769 0.153 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.369 3.392 1.696 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.007 1.921 0.815 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.381 1.974 -2.195 1.00 0.00 H new ATOM 0 HE2 MET A 22 9.281 1.018 -1.173 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.650 2.383 -2.125 1.00 0.00 H new ATOM 350 N LYS A 23 5.681 4.356 2.383 1.00 0.00 N ATOM 351 CA LYS A 23 5.543 4.515 3.820 1.00 0.00 C ATOM 352 C LYS A 23 4.191 3.950 4.263 1.00 0.00 C ATOM 353 O LYS A 23 4.077 3.386 5.350 1.00 0.00 O ATOM 354 CB LYS A 23 5.760 5.975 4.222 1.00 0.00 C ATOM 355 CG LYS A 23 6.731 6.081 5.399 1.00 0.00 C ATOM 356 CD LYS A 23 8.148 6.397 4.914 1.00 0.00 C ATOM 357 CE LYS A 23 8.801 7.468 5.790 1.00 0.00 C ATOM 358 NZ LYS A 23 10.045 7.964 5.160 1.00 0.00 N ATOM 0 H LYS A 23 5.822 5.226 1.870 1.00 0.00 H new ATOM 0 HA LYS A 23 6.314 3.948 4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.150 6.536 3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.806 6.427 4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.395 6.860 6.083 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.734 5.145 5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.753 5.490 4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.114 6.739 3.880 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.108 8.295 5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.024 7.055 6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.476 8.690 5.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.711 7.175 5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.823 8.376 4.231 1.00 0.00 H new ATOM 372 N LEU A 24 3.202 4.120 3.398 1.00 0.00 N ATOM 373 CA LEU A 24 1.864 3.634 3.686 1.00 0.00 C ATOM 374 C LEU A 24 1.879 2.105 3.728 1.00 0.00 C ATOM 375 O LEU A 24 1.250 1.498 4.593 1.00 0.00 O ATOM 376 CB LEU A 24 0.858 4.212 2.689 1.00 0.00 C ATOM 377 CG LEU A 24 0.631 5.723 2.764 1.00 0.00 C ATOM 378 CD1 LEU A 24 0.219 6.284 1.402 1.00 0.00 C ATOM 379 CD2 LEU A 24 -0.381 6.072 3.857 1.00 0.00 C ATOM 0 H LEU A 24 3.301 4.588 2.497 1.00 0.00 H new ATOM 0 HA LEU A 24 1.538 3.977 4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.192 3.965 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.099 3.713 2.839 1.00 0.00 H new ATOM 0 HG LEU A 24 1.574 6.197 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.064 7.360 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.005 6.085 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.706 5.808 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.524 7.152 3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.332 5.586 3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.009 5.727 4.821 1.00 0.00 H new ATOM 391 N ILE A 25 2.605 1.526 2.783 1.00 0.00 N ATOM 392 CA ILE A 25 2.710 0.079 2.701 1.00 0.00 C ATOM 393 C ILE A 25 3.486 -0.440 3.913 1.00 0.00 C ATOM 394 O ILE A 25 3.083 -1.419 4.539 1.00 0.00 O ATOM 395 CB ILE A 25 3.314 -0.339 1.359 1.00 0.00 C ATOM 396 CG1 ILE A 25 2.229 -0.476 0.289 1.00 0.00 C ATOM 397 CG2 ILE A 25 4.141 -1.618 1.504 1.00 0.00 C ATOM 398 CD1 ILE A 25 2.837 -0.861 -1.062 1.00 0.00 C ATOM 0 H ILE A 25 3.126 2.033 2.068 1.00 0.00 H new ATOM 0 HA ILE A 25 1.721 -0.378 2.735 1.00 0.00 H new ATOM 0 HB ILE A 25 3.993 0.447 1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.505 -1.231 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.687 0.465 0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.559 -1.893 0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.951 -1.449 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.503 -2.424 1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.045 -0.952 -1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.542 -0.092 -1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.358 -1.814 -0.968 1.00 0.00 H new ATOM 410 N LYS A 26 4.586 0.238 4.207 1.00 0.00 N ATOM 411 CA LYS A 26 5.422 -0.143 5.332 1.00 0.00 C ATOM 412 C LYS A 26 4.626 0.015 6.630 1.00 0.00 C ATOM 413 O LYS A 26 4.819 -0.745 7.577 1.00 0.00 O ATOM 414 CB LYS A 26 6.734 0.643 5.316 1.00 0.00 C ATOM 415 CG LYS A 26 7.674 0.165 6.424 1.00 0.00 C ATOM 416 CD LYS A 26 7.513 1.016 7.685 1.00 0.00 C ATOM 417 CE LYS A 26 8.461 2.216 7.662 1.00 0.00 C ATOM 418 NZ LYS A 26 9.831 1.802 8.040 1.00 0.00 N ATOM 0 H LYS A 26 4.917 1.049 3.685 1.00 0.00 H new ATOM 0 HA LYS A 26 5.706 -1.193 5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.220 0.527 4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.527 1.706 5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.466 -0.879 6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.706 0.215 6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.483 1.363 7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.713 0.407 8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.471 2.660 6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.104 2.982 8.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.520 2.456 7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.926 1.820 9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.011 0.838 7.693 1.00 0.00 H new ATOM 432 N GLU A 27 3.749 1.008 6.631 1.00 0.00 N ATOM 433 CA GLU A 27 2.923 1.276 7.796 1.00 0.00 C ATOM 434 C GLU A 27 2.141 0.022 8.192 1.00 0.00 C ATOM 435 O GLU A 27 2.013 -0.286 9.376 1.00 0.00 O ATOM 436 CB GLU A 27 1.980 2.453 7.541 1.00 0.00 C ATOM 437 CG GLU A 27 0.780 2.409 8.488 1.00 0.00 C ATOM 438 CD GLU A 27 0.370 3.819 8.921 1.00 0.00 C ATOM 439 OE1 GLU A 27 0.166 4.654 8.013 1.00 0.00 O ATOM 440 OE2 GLU A 27 0.271 4.030 10.149 1.00 0.00 O ATOM 0 H GLU A 27 3.592 1.637 5.843 1.00 0.00 H new ATOM 0 HA GLU A 27 3.576 1.550 8.625 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.519 3.391 7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.634 2.429 6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.059 1.918 7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.027 1.813 9.366 1.00 0.00 H new ATOM 447 N ILE A 28 1.638 -0.667 7.178 1.00 0.00 N ATOM 448 CA ILE A 28 0.872 -1.881 7.406 1.00 0.00 C ATOM 449 C ILE A 28 1.798 -2.969 7.952 1.00 0.00 C ATOM 450 O ILE A 28 1.422 -3.712 8.858 1.00 0.00 O ATOM 451 CB ILE A 28 0.126 -2.290 6.134 1.00 0.00 C ATOM 452 CG1 ILE A 28 -1.173 -1.496 5.980 1.00 0.00 C ATOM 453 CG2 ILE A 28 -0.117 -3.800 6.103 1.00 0.00 C ATOM 454 CD1 ILE A 28 -1.005 -0.360 4.970 1.00 0.00 C ATOM 0 H ILE A 28 1.746 -0.408 6.197 1.00 0.00 H new ATOM 0 HA ILE A 28 0.103 -1.710 8.159 1.00 0.00 H new ATOM 0 HB ILE A 28 0.754 -2.047 5.277 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.973 -2.161 5.655 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.470 -1.088 6.946 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.649 -4.064 5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.839 -4.323 6.131 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.715 -4.090 6.967 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.943 0.188 4.880 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.221 0.316 5.310 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.732 -0.774 3.999 1.00 0.00 H new ATOM 466 N VAL A 29 2.991 -3.028 7.380 1.00 0.00 N ATOM 467 CA VAL A 29 3.974 -4.013 7.799 1.00 0.00 C ATOM 468 C VAL A 29 4.729 -3.486 9.021 1.00 0.00 C ATOM 469 O VAL A 29 5.702 -4.094 9.464 1.00 0.00 O ATOM 470 CB VAL A 29 4.898 -4.360 6.630 1.00 0.00 C ATOM 471 CG1 VAL A 29 5.354 -5.818 6.706 1.00 0.00 C ATOM 472 CG2 VAL A 29 4.221 -4.066 5.290 1.00 0.00 C ATOM 0 H VAL A 29 3.300 -2.410 6.630 1.00 0.00 H new ATOM 0 HA VAL A 29 3.483 -4.940 8.095 1.00 0.00 H new ATOM 0 HB VAL A 29 5.783 -3.728 6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.010 -6.039 5.864 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.894 -5.982 7.639 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.484 -6.474 6.670 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.899 -4.321 4.476 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.311 -4.660 5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.970 -3.007 5.234 1.00 0.00 H new ATOM 482 N GLU A 30 4.251 -2.361 9.533 1.00 0.00 N ATOM 483 CA GLU A 30 4.868 -1.746 10.695 1.00 0.00 C ATOM 484 C GLU A 30 4.926 -2.742 11.855 1.00 0.00 C ATOM 485 O GLU A 30 5.825 -2.674 12.692 1.00 0.00 O ATOM 486 CB GLU A 30 4.122 -0.473 11.103 1.00 0.00 C ATOM 487 CG GLU A 30 4.708 0.118 12.387 1.00 0.00 C ATOM 488 CD GLU A 30 4.902 1.630 12.256 1.00 0.00 C ATOM 489 OE1 GLU A 30 5.827 2.020 11.511 1.00 0.00 O ATOM 490 OE2 GLU A 30 4.122 2.360 12.903 1.00 0.00 O ATOM 0 H GLU A 30 3.443 -1.860 9.164 1.00 0.00 H new ATOM 0 HA GLU A 30 5.887 -1.463 10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.182 0.261 10.300 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.066 -0.698 11.251 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.045 -0.096 13.226 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.664 -0.357 12.607 1.00 0.00 H new ATOM 497 N ASN A 31 3.956 -3.645 11.867 1.00 0.00 N ATOM 498 CA ASN A 31 3.886 -4.654 12.910 1.00 0.00 C ATOM 499 C ASN A 31 3.045 -5.833 12.417 1.00 0.00 C ATOM 500 O ASN A 31 2.179 -6.327 13.139 1.00 0.00 O ATOM 501 CB ASN A 31 3.226 -4.096 14.172 1.00 0.00 C ATOM 502 CG ASN A 31 1.737 -3.829 13.940 1.00 0.00 C ATOM 503 OD1 ASN A 31 0.871 -4.551 14.404 1.00 0.00 O ATOM 504 ND2 ASN A 31 1.491 -2.753 13.198 1.00 0.00 N ATOM 0 H ASN A 31 3.212 -3.699 11.171 1.00 0.00 H new ATOM 0 HA ASN A 31 4.903 -4.969 13.144 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.349 -4.802 14.993 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.723 -3.172 14.469 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.529 -2.489 12.986 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.264 -2.192 12.841 1.00 0.00 H new ATOM 511 N GLU A 32 3.328 -6.250 11.192 1.00 0.00 N ATOM 512 CA GLU A 32 2.608 -7.361 10.595 1.00 0.00 C ATOM 513 C GLU A 32 2.434 -8.490 11.613 1.00 0.00 C ATOM 514 O GLU A 32 3.202 -8.593 12.568 1.00 0.00 O ATOM 515 CB GLU A 32 3.319 -7.863 9.337 1.00 0.00 C ATOM 516 CG GLU A 32 4.832 -7.660 9.444 1.00 0.00 C ATOM 517 CD GLU A 32 5.589 -8.801 8.762 1.00 0.00 C ATOM 518 OE1 GLU A 32 5.216 -9.121 7.613 1.00 0.00 O ATOM 519 OE2 GLU A 32 6.522 -9.327 9.405 1.00 0.00 O ATOM 0 H GLU A 32 4.046 -5.838 10.597 1.00 0.00 H new ATOM 0 HA GLU A 32 1.620 -7.010 10.299 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.100 -8.920 9.189 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.938 -7.333 8.464 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.108 -6.711 8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.121 -7.603 10.493 1.00 0.00 H new ATOM 526 N ASP A 33 1.419 -9.308 11.375 1.00 0.00 N ATOM 527 CA ASP A 33 1.134 -10.425 12.259 1.00 0.00 C ATOM 528 C ASP A 33 1.998 -11.622 11.857 1.00 0.00 C ATOM 529 O ASP A 33 2.477 -11.694 10.726 1.00 0.00 O ATOM 530 CB ASP A 33 -0.333 -10.846 12.160 1.00 0.00 C ATOM 531 CG ASP A 33 -1.034 -11.068 13.501 1.00 0.00 C ATOM 532 OD1 ASP A 33 -0.338 -10.949 14.533 1.00 0.00 O ATOM 533 OD2 ASP A 33 -2.251 -11.352 13.465 1.00 0.00 O ATOM 0 H ASP A 33 0.784 -9.219 10.582 1.00 0.00 H new ATOM 0 HA ASP A 33 1.350 -10.110 13.280 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.878 -10.083 11.604 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.393 -11.766 11.579 1.00 0.00 H new ATOM 538 N LYS A 34 2.172 -12.531 12.805 1.00 0.00 N ATOM 539 CA LYS A 34 2.970 -13.721 12.563 1.00 0.00 C ATOM 540 C LYS A 34 2.303 -14.565 11.475 1.00 0.00 C ATOM 541 O LYS A 34 2.796 -14.638 10.351 1.00 0.00 O ATOM 542 CB LYS A 34 3.210 -14.480 13.869 1.00 0.00 C ATOM 543 CG LYS A 34 4.705 -14.694 14.113 1.00 0.00 C ATOM 544 CD LYS A 34 4.977 -16.098 14.656 1.00 0.00 C ATOM 545 CE LYS A 34 5.042 -16.091 16.185 1.00 0.00 C ATOM 546 NZ LYS A 34 5.542 -17.391 16.688 1.00 0.00 N ATOM 0 H LYS A 34 1.774 -12.467 13.742 1.00 0.00 H new ATOM 0 HA LYS A 34 3.959 -13.448 12.194 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.778 -13.924 14.701 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.702 -15.444 13.832 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.253 -14.548 13.182 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.072 -13.950 14.820 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.192 -16.778 14.325 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.916 -16.473 14.250 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.696 -15.287 16.524 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.052 -15.891 16.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.580 -17.370 17.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.903 -18.151 16.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.495 -17.566 16.310 1.00 0.00 H new ATOM 560 N ARG A 35 1.191 -15.182 11.848 1.00 0.00 N ATOM 561 CA ARG A 35 0.451 -16.018 10.918 1.00 0.00 C ATOM 562 C ARG A 35 -0.298 -15.150 9.905 1.00 0.00 C ATOM 563 O ARG A 35 -0.903 -15.667 8.966 1.00 0.00 O ATOM 564 CB ARG A 35 -0.551 -16.909 11.655 1.00 0.00 C ATOM 565 CG ARG A 35 -0.879 -18.159 10.837 1.00 0.00 C ATOM 566 CD ARG A 35 -0.869 -19.410 11.718 1.00 0.00 C ATOM 567 NE ARG A 35 -2.211 -20.033 11.727 1.00 0.00 N ATOM 568 CZ ARG A 35 -2.442 -21.313 12.049 1.00 0.00 C ATOM 569 NH1 ARG A 35 -1.423 -22.113 12.390 1.00 0.00 N ATOM 570 NH2 ARG A 35 -3.693 -21.794 12.029 1.00 0.00 N ATOM 0 H ARG A 35 0.785 -15.120 12.782 1.00 0.00 H new ATOM 0 HA ARG A 35 1.169 -16.652 10.398 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.141 -17.200 12.622 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.465 -16.349 11.852 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.858 -18.046 10.371 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.153 -18.271 10.032 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.131 -20.121 11.346 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.574 -19.147 12.734 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.010 -19.452 11.472 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.471 -21.748 12.405 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.599 -23.087 12.635 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.469 -21.186 11.769 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.869 -22.768 12.274 1.00 0.00 H new ATOM 584 N LYS A 36 -0.234 -13.846 10.129 1.00 0.00 N ATOM 585 CA LYS A 36 -0.899 -12.901 9.247 1.00 0.00 C ATOM 586 C LYS A 36 0.056 -11.750 8.927 1.00 0.00 C ATOM 587 O LYS A 36 -0.010 -10.692 9.551 1.00 0.00 O ATOM 588 CB LYS A 36 -2.228 -12.447 9.853 1.00 0.00 C ATOM 589 CG LYS A 36 -3.234 -12.083 8.758 1.00 0.00 C ATOM 590 CD LYS A 36 -4.639 -11.914 9.339 1.00 0.00 C ATOM 591 CE LYS A 36 -4.784 -10.561 10.040 1.00 0.00 C ATOM 592 NZ LYS A 36 -4.831 -9.466 9.046 1.00 0.00 N ATOM 0 H LYS A 36 0.268 -13.421 10.909 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.153 -13.377 8.300 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.637 -13.241 10.478 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.062 -11.586 10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.926 -11.159 8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.243 -12.861 7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.378 -11.996 8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.843 -12.718 10.046 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.692 -10.552 10.643 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.948 -10.406 10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.227 -8.612 9.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.869 -9.265 8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.430 -9.750 8.245 1.00 0.00 H new ATOM 606 N PRO A 37 0.945 -12.001 7.928 1.00 0.00 N ATOM 607 CA PRO A 37 1.912 -10.997 7.518 1.00 0.00 C ATOM 608 C PRO A 37 1.244 -9.896 6.692 1.00 0.00 C ATOM 609 O PRO A 37 0.032 -9.699 6.779 1.00 0.00 O ATOM 610 CB PRO A 37 2.969 -11.765 6.739 1.00 0.00 C ATOM 611 CG PRO A 37 2.321 -13.082 6.345 1.00 0.00 C ATOM 612 CD PRO A 37 1.052 -13.242 7.167 1.00 0.00 C ATOM 0 HA PRO A 37 2.359 -10.474 8.363 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.287 -11.207 5.858 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.857 -11.933 7.348 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.089 -13.090 5.280 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.002 -13.913 6.529 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.182 -13.391 6.527 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.114 -14.107 7.827 1.00 0.00 H new ATOM 620 N TYR A 38 2.062 -9.207 5.910 1.00 0.00 N ATOM 621 CA TYR A 38 1.564 -8.131 5.070 1.00 0.00 C ATOM 622 C TYR A 38 2.445 -7.951 3.832 1.00 0.00 C ATOM 623 O TYR A 38 3.048 -6.895 3.643 1.00 0.00 O ATOM 624 CB TYR A 38 1.637 -6.863 5.923 1.00 0.00 C ATOM 625 CG TYR A 38 0.541 -6.763 6.985 1.00 0.00 C ATOM 626 CD1 TYR A 38 -0.721 -7.256 6.722 1.00 0.00 C ATOM 627 CD2 TYR A 38 0.814 -6.182 8.206 1.00 0.00 C ATOM 628 CE1 TYR A 38 -1.753 -7.162 7.722 1.00 0.00 C ATOM 629 CE2 TYR A 38 -0.218 -6.088 9.206 1.00 0.00 C ATOM 630 CZ TYR A 38 -1.451 -6.583 8.915 1.00 0.00 C ATOM 631 OH TYR A 38 -2.425 -6.495 9.860 1.00 0.00 O ATOM 0 H TYR A 38 3.066 -9.373 5.840 1.00 0.00 H new ATOM 0 HA TYR A 38 0.552 -8.347 4.728 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.609 -6.824 6.414 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.575 -5.993 5.269 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.935 -7.712 5.767 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.802 -5.798 8.412 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.745 -7.543 7.529 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.017 -5.635 10.165 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.065 -6.060 10.661 1.00 0.00 H new ATOM 641 N SER A 39 2.492 -8.997 3.021 1.00 0.00 N ATOM 642 CA SER A 39 3.289 -8.967 1.806 1.00 0.00 C ATOM 643 C SER A 39 2.591 -8.115 0.743 1.00 0.00 C ATOM 644 O SER A 39 1.589 -7.461 1.027 1.00 0.00 O ATOM 645 CB SER A 39 3.537 -10.380 1.275 1.00 0.00 C ATOM 646 OG SER A 39 4.041 -10.369 -0.058 1.00 0.00 O ATOM 0 H SER A 39 1.991 -9.871 3.181 1.00 0.00 H new ATOM 0 HA SER A 39 4.256 -8.522 2.042 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.245 -10.893 1.926 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.607 -10.947 1.306 1.00 0.00 H new ATOM 0 HG SER A 39 4.188 -11.290 -0.360 1.00 0.00 H new ATOM 652 N ASP A 40 3.149 -8.151 -0.458 1.00 0.00 N ATOM 653 CA ASP A 40 2.594 -7.391 -1.564 1.00 0.00 C ATOM 654 C ASP A 40 1.155 -7.845 -1.818 1.00 0.00 C ATOM 655 O ASP A 40 0.310 -7.047 -2.221 1.00 0.00 O ATOM 656 CB ASP A 40 3.395 -7.619 -2.847 1.00 0.00 C ATOM 657 CG ASP A 40 3.961 -9.031 -3.013 1.00 0.00 C ATOM 658 OD1 ASP A 40 4.989 -9.311 -2.359 1.00 0.00 O ATOM 659 OD2 ASP A 40 3.353 -9.799 -3.790 1.00 0.00 O ATOM 0 H ASP A 40 3.980 -8.695 -0.689 1.00 0.00 H new ATOM 0 HA ASP A 40 2.632 -6.334 -1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.755 -7.397 -3.701 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.220 -6.907 -2.874 1.00 0.00 H new ATOM 664 N GLN A 41 0.920 -9.125 -1.571 1.00 0.00 N ATOM 665 CA GLN A 41 -0.402 -9.695 -1.767 1.00 0.00 C ATOM 666 C GLN A 41 -1.398 -9.076 -0.785 1.00 0.00 C ATOM 667 O GLN A 41 -2.442 -8.569 -1.192 1.00 0.00 O ATOM 668 CB GLN A 41 -0.368 -11.219 -1.627 1.00 0.00 C ATOM 669 CG GLN A 41 -1.552 -11.719 -0.797 1.00 0.00 C ATOM 670 CD GLN A 41 -2.881 -11.362 -1.465 1.00 0.00 C ATOM 671 OE1 GLN A 41 -2.934 -10.899 -2.593 1.00 0.00 O ATOM 672 NE2 GLN A 41 -3.948 -11.601 -0.708 1.00 0.00 N ATOM 0 H GLN A 41 1.623 -9.784 -1.237 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.730 -9.463 -2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.391 -11.679 -2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.566 -11.524 -1.155 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.483 -12.800 -0.672 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.513 -11.280 0.200 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.833 -11.990 0.228 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.882 -11.396 -1.063 1.00 0.00 H new ATOM 681 N GLU A 42 -1.041 -9.138 0.489 1.00 0.00 N ATOM 682 CA GLU A 42 -1.890 -8.590 1.532 1.00 0.00 C ATOM 683 C GLU A 42 -2.086 -7.087 1.322 1.00 0.00 C ATOM 684 O GLU A 42 -3.189 -6.639 1.013 1.00 0.00 O ATOM 685 CB GLU A 42 -1.312 -8.878 2.919 1.00 0.00 C ATOM 686 CG GLU A 42 -2.420 -9.235 3.912 1.00 0.00 C ATOM 687 CD GLU A 42 -2.988 -7.978 4.573 1.00 0.00 C ATOM 688 OE1 GLU A 42 -2.475 -6.885 4.250 1.00 0.00 O ATOM 689 OE2 GLU A 42 -3.923 -8.138 5.388 1.00 0.00 O ATOM 0 H GLU A 42 -0.174 -9.560 0.823 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.864 -9.076 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.597 -9.699 2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.765 -8.006 3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.217 -9.771 3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.027 -9.906 4.676 1.00 0.00 H new ATOM 696 N ILE A 43 -0.999 -6.350 1.498 1.00 0.00 N ATOM 697 CA ILE A 43 -1.038 -4.907 1.332 1.00 0.00 C ATOM 698 C ILE A 43 -1.874 -4.563 0.097 1.00 0.00 C ATOM 699 O ILE A 43 -2.744 -3.696 0.155 1.00 0.00 O ATOM 700 CB ILE A 43 0.380 -4.334 1.293 1.00 0.00 C ATOM 701 CG1 ILE A 43 0.743 -3.680 2.628 1.00 0.00 C ATOM 702 CG2 ILE A 43 0.550 -3.370 0.117 1.00 0.00 C ATOM 703 CD1 ILE A 43 2.137 -4.110 3.088 1.00 0.00 C ATOM 0 H ILE A 43 -0.086 -6.725 1.754 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.524 -4.438 2.188 1.00 0.00 H new ATOM 0 HB ILE A 43 1.077 -5.157 1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.708 -2.595 2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.006 -3.954 3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.567 -2.977 0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.361 -3.899 -0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.157 -2.546 0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.370 -3.631 4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.162 -5.193 3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.874 -3.813 2.342 1.00 0.00 H new ATOM 715 N ALA A 44 -1.580 -5.261 -0.990 1.00 0.00 N ATOM 716 CA ALA A 44 -2.294 -5.040 -2.237 1.00 0.00 C ATOM 717 C ALA A 44 -3.796 -5.194 -1.993 1.00 0.00 C ATOM 718 O ALA A 44 -4.593 -4.392 -2.478 1.00 0.00 O ATOM 719 CB ALA A 44 -1.773 -6.007 -3.302 1.00 0.00 C ATOM 0 H ALA A 44 -0.858 -5.980 -1.034 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.122 -4.028 -2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.308 -5.841 -4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.708 -5.836 -3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.931 -7.033 -2.970 1.00 0.00 H new ATOM 725 N ASN A 45 -4.138 -6.231 -1.242 1.00 0.00 N ATOM 726 CA ASN A 45 -5.531 -6.501 -0.929 1.00 0.00 C ATOM 727 C ASN A 45 -6.072 -5.388 -0.029 1.00 0.00 C ATOM 728 O ASN A 45 -7.240 -5.018 -0.128 1.00 0.00 O ATOM 729 CB ASN A 45 -5.680 -7.828 -0.182 1.00 0.00 C ATOM 730 CG ASN A 45 -5.835 -8.994 -1.160 1.00 0.00 C ATOM 731 OD1 ASN A 45 -6.911 -9.534 -1.358 1.00 0.00 O ATOM 732 ND2 ASN A 45 -4.703 -9.350 -1.761 1.00 0.00 N ATOM 0 H ASN A 45 -3.474 -6.894 -0.841 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.084 -6.551 -1.867 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.808 -7.993 0.451 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.548 -7.783 0.476 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.702 -10.117 -2.433 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.836 -8.856 -1.550 1.00 0.00 H new ATOM 739 N ILE A 46 -5.195 -4.887 0.829 1.00 0.00 N ATOM 740 CA ILE A 46 -5.570 -3.824 1.746 1.00 0.00 C ATOM 741 C ILE A 46 -5.920 -2.566 0.947 1.00 0.00 C ATOM 742 O ILE A 46 -6.957 -1.947 1.180 1.00 0.00 O ATOM 743 CB ILE A 46 -4.472 -3.604 2.789 1.00 0.00 C ATOM 744 CG1 ILE A 46 -4.572 -4.634 3.916 1.00 0.00 C ATOM 745 CG2 ILE A 46 -4.500 -2.169 3.320 1.00 0.00 C ATOM 746 CD1 ILE A 46 -3.439 -4.452 4.927 1.00 0.00 C ATOM 0 H ILE A 46 -4.227 -5.197 0.908 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.461 -4.103 2.308 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.506 -3.750 2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.533 -4.535 4.420 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.533 -5.640 3.498 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.710 -2.039 4.060 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.344 -1.473 2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.467 -1.971 3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.534 -5.197 5.717 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.480 -4.576 4.425 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.495 -3.453 5.361 1.00 0.00 H new ATOM 758 N LEU A 47 -5.035 -2.227 0.022 1.00 0.00 N ATOM 759 CA LEU A 47 -5.237 -1.054 -0.812 1.00 0.00 C ATOM 760 C LEU A 47 -6.574 -1.180 -1.546 1.00 0.00 C ATOM 761 O LEU A 47 -7.194 -0.175 -1.890 1.00 0.00 O ATOM 762 CB LEU A 47 -4.042 -0.848 -1.745 1.00 0.00 C ATOM 763 CG LEU A 47 -2.720 -0.476 -1.069 1.00 0.00 C ATOM 764 CD1 LEU A 47 -2.858 -0.498 0.454 1.00 0.00 C ATOM 765 CD2 LEU A 47 -1.583 -1.377 -1.555 1.00 0.00 C ATOM 0 H LEU A 47 -4.176 -2.744 -0.169 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.292 -0.155 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.890 -1.764 -2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.295 -0.065 -2.460 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.466 0.545 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.905 -0.230 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.621 0.218 0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.147 -1.498 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.655 -1.091 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.816 -2.415 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.467 -1.267 -2.633 1.00 0.00 H new ATOM 777 N LYS A 48 -6.979 -2.423 -1.762 1.00 0.00 N ATOM 778 CA LYS A 48 -8.231 -2.693 -2.448 1.00 0.00 C ATOM 779 C LYS A 48 -9.375 -2.002 -1.703 1.00 0.00 C ATOM 780 O LYS A 48 -10.437 -1.759 -2.275 1.00 0.00 O ATOM 781 CB LYS A 48 -8.433 -4.200 -2.622 1.00 0.00 C ATOM 782 CG LYS A 48 -8.785 -4.542 -4.071 1.00 0.00 C ATOM 783 CD LYS A 48 -7.632 -5.279 -4.756 1.00 0.00 C ATOM 784 CE LYS A 48 -8.128 -6.058 -5.976 1.00 0.00 C ATOM 785 NZ LYS A 48 -7.449 -5.585 -7.203 1.00 0.00 N ATOM 0 H LYS A 48 -6.462 -3.254 -1.474 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.210 -2.279 -3.456 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.525 -4.728 -2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.228 -4.543 -1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.682 -5.161 -4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.014 -3.628 -4.619 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.869 -4.563 -5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.162 -5.963 -4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.940 -7.123 -5.836 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.206 -5.936 -6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.797 -6.124 -8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.650 -4.574 -7.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.423 -5.724 -7.108 1.00 0.00 H new ATOM 799 N GLU A 49 -9.120 -1.704 -0.437 1.00 0.00 N ATOM 800 CA GLU A 49 -10.115 -1.045 0.392 1.00 0.00 C ATOM 801 C GLU A 49 -10.416 0.353 -0.151 1.00 0.00 C ATOM 802 O GLU A 49 -11.234 1.079 0.413 1.00 0.00 O ATOM 803 CB GLU A 49 -9.658 -0.981 1.850 1.00 0.00 C ATOM 804 CG GLU A 49 -9.551 -2.382 2.454 1.00 0.00 C ATOM 805 CD GLU A 49 -10.385 -2.494 3.732 1.00 0.00 C ATOM 806 OE1 GLU A 49 -9.914 -1.970 4.765 1.00 0.00 O ATOM 807 OE2 GLU A 49 -11.475 -3.100 3.648 1.00 0.00 O ATOM 0 H GLU A 49 -8.239 -1.907 0.035 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.033 -1.631 0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.691 -0.481 1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.362 -0.384 2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.890 -3.121 1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.508 -2.608 2.675 1.00 0.00 H new ATOM 814 N LYS A 50 -9.740 0.690 -1.239 1.00 0.00 N ATOM 815 CA LYS A 50 -9.925 1.988 -1.864 1.00 0.00 C ATOM 816 C LYS A 50 -9.323 3.072 -0.967 1.00 0.00 C ATOM 817 O LYS A 50 -9.960 4.091 -0.705 1.00 0.00 O ATOM 818 CB LYS A 50 -11.400 2.217 -2.198 1.00 0.00 C ATOM 819 CG LYS A 50 -11.619 3.610 -2.792 1.00 0.00 C ATOM 820 CD LYS A 50 -12.100 3.519 -4.242 1.00 0.00 C ATOM 821 CE LYS A 50 -10.979 3.885 -5.216 1.00 0.00 C ATOM 822 NZ LYS A 50 -11.538 4.236 -6.541 1.00 0.00 N ATOM 0 H LYS A 50 -9.063 0.086 -1.704 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.396 2.030 -2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.738 1.459 -2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.002 2.104 -1.297 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.352 4.152 -2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.690 4.178 -2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.451 2.508 -4.450 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.948 4.188 -4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.407 4.725 -4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.288 3.048 -5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.764 4.482 -7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.065 3.424 -6.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.179 5.049 -6.443 1.00 0.00 H new ATOM 836 N GLY A 51 -8.102 2.814 -0.520 1.00 0.00 N ATOM 837 CA GLY A 51 -7.407 3.755 0.342 1.00 0.00 C ATOM 838 C GLY A 51 -6.083 4.198 -0.284 1.00 0.00 C ATOM 839 O GLY A 51 -5.342 4.978 0.311 1.00 0.00 O ATOM 0 H GLY A 51 -7.577 1.967 -0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.038 4.625 0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.219 3.294 1.312 1.00 0.00 H new ATOM 843 N PHE A 52 -5.827 3.680 -1.476 1.00 0.00 N ATOM 844 CA PHE A 52 -4.606 4.013 -2.190 1.00 0.00 C ATOM 845 C PHE A 52 -4.736 3.691 -3.680 1.00 0.00 C ATOM 846 O PHE A 52 -4.499 4.551 -4.527 1.00 0.00 O ATOM 847 CB PHE A 52 -3.490 3.154 -1.590 1.00 0.00 C ATOM 848 CG PHE A 52 -3.430 3.190 -0.062 1.00 0.00 C ATOM 849 CD1 PHE A 52 -4.261 2.400 0.670 1.00 0.00 C ATOM 850 CD2 PHE A 52 -2.546 4.011 0.565 1.00 0.00 C ATOM 851 CE1 PHE A 52 -4.205 2.433 2.088 1.00 0.00 C ATOM 852 CE2 PHE A 52 -2.490 4.045 1.983 1.00 0.00 C ATOM 853 CZ PHE A 52 -3.321 3.255 2.715 1.00 0.00 C ATOM 0 H PHE A 52 -6.444 3.032 -1.966 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.397 5.078 -2.094 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.626 2.122 -1.914 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.533 3.490 -1.989 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.963 1.748 0.172 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.886 4.638 -0.016 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.864 1.805 2.669 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.788 4.698 2.480 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.279 3.280 3.794 1.00 0.00 H new ATOM 863 N LYS A 53 -5.113 2.451 -3.954 1.00 0.00 N ATOM 864 CA LYS A 53 -5.278 2.006 -5.327 1.00 0.00 C ATOM 865 C LYS A 53 -3.922 1.565 -5.882 1.00 0.00 C ATOM 866 O LYS A 53 -3.217 2.355 -6.507 1.00 0.00 O ATOM 867 CB LYS A 53 -5.962 3.089 -6.164 1.00 0.00 C ATOM 868 CG LYS A 53 -6.782 2.470 -7.298 1.00 0.00 C ATOM 869 CD LYS A 53 -6.242 2.901 -8.663 1.00 0.00 C ATOM 870 CE LYS A 53 -6.556 4.374 -8.936 1.00 0.00 C ATOM 871 NZ LYS A 53 -7.831 4.503 -9.676 1.00 0.00 N ATOM 0 H LYS A 53 -5.309 1.741 -3.249 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.938 1.139 -5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.611 3.690 -5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.211 3.762 -6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.756 1.383 -7.219 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.825 2.771 -7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.164 2.742 -8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.681 2.281 -9.444 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.618 4.919 -7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.747 4.824 -9.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.029 5.508 -9.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.758 3.999 -10.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.603 4.092 -9.113 1.00 0.00 H new ATOM 885 N VAL A 54 -3.598 0.304 -5.633 1.00 0.00 N ATOM 886 CA VAL A 54 -2.339 -0.251 -6.100 1.00 0.00 C ATOM 887 C VAL A 54 -2.618 -1.503 -6.934 1.00 0.00 C ATOM 888 O VAL A 54 -3.582 -1.544 -7.697 1.00 0.00 O ATOM 889 CB VAL A 54 -1.412 -0.517 -4.913 1.00 0.00 C ATOM 890 CG1 VAL A 54 0.056 -0.469 -5.341 1.00 0.00 C ATOM 891 CG2 VAL A 54 -1.684 0.467 -3.773 1.00 0.00 C ATOM 0 H VAL A 54 -4.186 -0.349 -5.114 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.823 0.461 -6.744 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.620 -1.522 -4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.693 -0.661 -4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.238 -1.227 -6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.284 0.516 -5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.011 0.256 -2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.518 1.485 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.717 0.362 -3.440 1.00 0.00 H new ATOM 901 N ALA A 55 -1.755 -2.494 -6.761 1.00 0.00 N ATOM 902 CA ALA A 55 -1.896 -3.744 -7.488 1.00 0.00 C ATOM 903 C ALA A 55 -0.712 -4.656 -7.160 1.00 0.00 C ATOM 904 O ALA A 55 0.436 -4.215 -7.166 1.00 0.00 O ATOM 905 CB ALA A 55 -2.011 -3.454 -8.986 1.00 0.00 C ATOM 0 H ALA A 55 -0.956 -2.456 -6.128 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.806 -4.263 -7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.117 -4.392 -9.531 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.884 -2.827 -9.169 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.114 -2.936 -9.326 1.00 0.00 H new ATOM 911 N ARG A 56 -1.032 -5.911 -6.882 1.00 0.00 N ATOM 912 CA ARG A 56 -0.009 -6.889 -6.552 1.00 0.00 C ATOM 913 C ARG A 56 1.281 -6.587 -7.319 1.00 0.00 C ATOM 914 O ARG A 56 2.376 -6.712 -6.772 1.00 0.00 O ATOM 915 CB ARG A 56 -0.473 -8.307 -6.889 1.00 0.00 C ATOM 916 CG ARG A 56 -0.881 -9.065 -5.624 1.00 0.00 C ATOM 917 CD ARG A 56 -0.666 -10.571 -5.793 1.00 0.00 C ATOM 918 NE ARG A 56 0.732 -10.923 -5.456 1.00 0.00 N ATOM 919 CZ ARG A 56 1.224 -12.169 -5.502 1.00 0.00 C ATOM 920 NH1 ARG A 56 0.436 -13.187 -5.873 1.00 0.00 N ATOM 921 NH2 ARG A 56 2.505 -12.395 -5.179 1.00 0.00 N ATOM 0 H ARG A 56 -1.985 -6.273 -6.878 1.00 0.00 H new ATOM 0 HA ARG A 56 0.177 -6.825 -5.480 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.316 -8.263 -7.579 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.328 -8.844 -7.397 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.299 -8.704 -4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.929 -8.867 -5.399 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.353 -11.119 -5.149 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.887 -10.866 -6.819 1.00 0.00 H new ATOM 0 HE ARG A 56 1.359 -10.171 -5.171 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.538 -13.014 -6.120 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.810 -14.135 -5.908 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.105 -11.619 -4.898 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.880 -13.343 -5.214 1.00 0.00 H new ATOM 935 N ARG A 57 1.108 -6.195 -8.572 1.00 0.00 N ATOM 936 CA ARG A 57 2.245 -5.874 -9.419 1.00 0.00 C ATOM 937 C ARG A 57 3.054 -4.727 -8.810 1.00 0.00 C ATOM 938 O ARG A 57 4.235 -4.888 -8.507 1.00 0.00 O ATOM 939 CB ARG A 57 1.789 -5.477 -10.825 1.00 0.00 C ATOM 940 CG ARG A 57 2.884 -5.759 -11.856 1.00 0.00 C ATOM 941 CD ARG A 57 3.771 -4.530 -12.063 1.00 0.00 C ATOM 942 NE ARG A 57 3.671 -4.064 -13.464 1.00 0.00 N ATOM 943 CZ ARG A 57 4.391 -3.055 -13.974 1.00 0.00 C ATOM 944 NH1 ARG A 57 5.269 -2.401 -13.201 1.00 0.00 N ATOM 945 NH2 ARG A 57 4.234 -2.700 -15.256 1.00 0.00 N ATOM 0 H ARG A 57 0.198 -6.092 -9.022 1.00 0.00 H new ATOM 0 HA ARG A 57 2.868 -6.765 -9.489 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.886 -6.028 -11.088 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.532 -4.418 -10.842 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.493 -6.600 -11.524 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.430 -6.048 -12.804 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.467 -3.734 -11.384 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.806 -4.774 -11.825 1.00 0.00 H new ATOM 0 HE ARG A 57 3.013 -4.541 -14.080 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.389 -2.671 -12.225 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.817 -1.633 -13.589 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.566 -3.198 -15.845 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.782 -1.932 -15.643 1.00 0.00 H new ATOM 959 N THR A 58 2.385 -3.595 -8.648 1.00 0.00 N ATOM 960 CA THR A 58 3.027 -2.421 -8.080 1.00 0.00 C ATOM 961 C THR A 58 3.518 -2.716 -6.661 1.00 0.00 C ATOM 962 O THR A 58 4.626 -2.330 -6.291 1.00 0.00 O ATOM 963 CB THR A 58 2.036 -1.259 -8.151 1.00 0.00 C ATOM 964 OG1 THR A 58 2.391 -0.572 -9.348 1.00 0.00 O ATOM 965 CG2 THR A 58 2.265 -0.225 -7.047 1.00 0.00 C ATOM 0 H THR A 58 1.405 -3.466 -8.900 1.00 0.00 H new ATOM 0 HA THR A 58 3.916 -2.143 -8.646 1.00 0.00 H new ATOM 0 HB THR A 58 1.019 -1.645 -8.081 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.796 0.197 -9.473 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.535 0.578 -7.144 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.153 -0.702 -6.073 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.271 0.186 -7.136 1.00 0.00 H new ATOM 973 N VAL A 59 2.669 -3.397 -5.906 1.00 0.00 N ATOM 974 CA VAL A 59 3.002 -3.748 -4.536 1.00 0.00 C ATOM 975 C VAL A 59 4.244 -4.641 -4.530 1.00 0.00 C ATOM 976 O VAL A 59 5.108 -4.504 -3.665 1.00 0.00 O ATOM 977 CB VAL A 59 1.796 -4.396 -3.853 1.00 0.00 C ATOM 978 CG1 VAL A 59 1.932 -4.340 -2.330 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.490 -3.744 -4.312 1.00 0.00 C ATOM 0 H VAL A 59 1.751 -3.715 -6.217 1.00 0.00 H new ATOM 0 HA VAL A 59 3.242 -2.854 -3.961 1.00 0.00 H new ATOM 0 HB VAL A 59 1.768 -5.445 -4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.062 -4.807 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.833 -4.872 -2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.998 -3.301 -2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.351 -4.223 -3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.505 -2.683 -4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.385 -3.860 -5.391 1.00 0.00 H new ATOM 989 N ALA A 60 4.294 -5.537 -5.505 1.00 0.00 N ATOM 990 CA ALA A 60 5.416 -6.453 -5.624 1.00 0.00 C ATOM 991 C ALA A 60 6.718 -5.652 -5.678 1.00 0.00 C ATOM 992 O ALA A 60 7.708 -6.026 -5.050 1.00 0.00 O ATOM 993 CB ALA A 60 5.224 -7.338 -6.856 1.00 0.00 C ATOM 0 H ALA A 60 3.575 -5.648 -6.220 1.00 0.00 H new ATOM 0 HA ALA A 60 5.469 -7.110 -4.756 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.066 -8.025 -6.945 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.300 -7.907 -6.755 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.169 -6.713 -7.748 1.00 0.00 H new ATOM 999 N LYS A 61 6.677 -4.565 -6.434 1.00 0.00 N ATOM 1000 CA LYS A 61 7.842 -3.709 -6.578 1.00 0.00 C ATOM 1001 C LYS A 61 8.195 -3.102 -5.219 1.00 0.00 C ATOM 1002 O LYS A 61 9.366 -3.046 -4.845 1.00 0.00 O ATOM 1003 CB LYS A 61 7.609 -2.667 -7.675 1.00 0.00 C ATOM 1004 CG LYS A 61 7.458 -3.336 -9.043 1.00 0.00 C ATOM 1005 CD LYS A 61 8.825 -3.644 -9.656 1.00 0.00 C ATOM 1006 CE LYS A 61 9.182 -5.122 -9.486 1.00 0.00 C ATOM 1007 NZ LYS A 61 10.611 -5.272 -9.129 1.00 0.00 N ATOM 0 H LYS A 61 5.855 -4.257 -6.954 1.00 0.00 H new ATOM 0 HA LYS A 61 8.705 -4.291 -6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.713 -2.089 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.443 -1.966 -7.699 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.886 -4.258 -8.940 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.895 -2.684 -9.711 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.819 -3.387 -10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.587 -3.025 -9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.559 -5.566 -8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.973 -5.661 -10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.837 -6.281 -9.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.202 -4.866 -9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.800 -4.774 -8.236 1.00 0.00 H new ATOM 1021 N TYR A 62 7.161 -2.663 -4.516 1.00 0.00 N ATOM 1022 CA TYR A 62 7.348 -2.062 -3.207 1.00 0.00 C ATOM 1023 C TYR A 62 7.924 -3.076 -2.216 1.00 0.00 C ATOM 1024 O TYR A 62 8.722 -2.719 -1.351 1.00 0.00 O ATOM 1025 CB TYR A 62 5.955 -1.640 -2.734 1.00 0.00 C ATOM 1026 CG TYR A 62 5.560 -0.222 -3.149 1.00 0.00 C ATOM 1027 CD1 TYR A 62 6.475 0.807 -3.049 1.00 0.00 C ATOM 1028 CD2 TYR A 62 4.289 0.030 -3.624 1.00 0.00 C ATOM 1029 CE1 TYR A 62 6.104 2.142 -3.440 1.00 0.00 C ATOM 1030 CE2 TYR A 62 3.917 1.365 -4.015 1.00 0.00 C ATOM 1031 CZ TYR A 62 4.843 2.355 -3.904 1.00 0.00 C ATOM 1032 OH TYR A 62 4.492 3.616 -4.273 1.00 0.00 O ATOM 0 H TYR A 62 6.191 -2.712 -4.829 1.00 0.00 H new ATOM 0 HA TYR A 62 8.042 -1.223 -3.265 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.220 -2.341 -3.130 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.914 -1.714 -1.647 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.470 0.610 -2.677 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.573 -0.775 -3.703 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.810 2.956 -3.367 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.925 1.575 -4.388 1.00 0.00 H new ATOM 0 HH TYR A 62 4.832 4.256 -3.613 1.00 0.00 H new ATOM 1042 N ARG A 63 7.497 -4.320 -2.375 1.00 0.00 N ATOM 1043 CA ARG A 63 7.960 -5.387 -1.505 1.00 0.00 C ATOM 1044 C ARG A 63 9.490 -5.430 -1.486 1.00 0.00 C ATOM 1045 O ARG A 63 10.096 -5.597 -0.429 1.00 0.00 O ATOM 1046 CB ARG A 63 7.425 -6.745 -1.966 1.00 0.00 C ATOM 1047 CG ARG A 63 7.846 -7.856 -1.002 1.00 0.00 C ATOM 1048 CD ARG A 63 8.736 -8.883 -1.705 1.00 0.00 C ATOM 1049 NE ARG A 63 9.957 -9.127 -0.904 1.00 0.00 N ATOM 1050 CZ ARG A 63 10.790 -10.158 -1.100 1.00 0.00 C ATOM 1051 NH1 ARG A 63 10.540 -11.047 -2.071 1.00 0.00 N ATOM 1052 NH2 ARG A 63 11.874 -10.300 -0.325 1.00 0.00 N ATOM 0 H ARG A 63 6.835 -4.613 -3.094 1.00 0.00 H new ATOM 0 HA ARG A 63 7.586 -5.183 -0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.338 -6.708 -2.032 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.797 -6.966 -2.966 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.381 -7.425 -0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.961 -8.350 -0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.189 -9.816 -1.844 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.008 -8.522 -2.697 1.00 0.00 H new ATOM 0 HE ARG A 63 10.178 -8.469 -0.156 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.715 -10.939 -2.661 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.174 -11.832 -2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.065 -9.623 0.414 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.508 -11.085 -0.474 1.00 0.00 H new ATOM 1066 N GLU A 64 10.069 -5.274 -2.667 1.00 0.00 N ATOM 1067 CA GLU A 64 11.516 -5.293 -2.799 1.00 0.00 C ATOM 1068 C GLU A 64 12.121 -4.025 -2.190 1.00 0.00 C ATOM 1069 O GLU A 64 13.161 -4.082 -1.536 1.00 0.00 O ATOM 1070 CB GLU A 64 11.932 -5.450 -4.263 1.00 0.00 C ATOM 1071 CG GLU A 64 13.333 -6.055 -4.373 1.00 0.00 C ATOM 1072 CD GLU A 64 13.790 -6.115 -5.832 1.00 0.00 C ATOM 1073 OE1 GLU A 64 12.967 -6.546 -6.668 1.00 0.00 O ATOM 1074 OE2 GLU A 64 14.953 -5.729 -6.078 1.00 0.00 O ATOM 0 H GLU A 64 9.563 -5.134 -3.541 1.00 0.00 H new ATOM 0 HA GLU A 64 11.900 -6.155 -2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.215 -6.086 -4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.912 -4.478 -4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.037 -5.460 -3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.335 -7.058 -3.946 1.00 0.00 H new ATOM 1081 N MET A 65 11.443 -2.912 -2.428 1.00 0.00 N ATOM 1082 CA MET A 65 11.900 -1.633 -1.911 1.00 0.00 C ATOM 1083 C MET A 65 11.778 -1.582 -0.387 1.00 0.00 C ATOM 1084 O MET A 65 12.474 -0.808 0.269 1.00 0.00 O ATOM 1085 CB MET A 65 11.069 -0.507 -2.528 1.00 0.00 C ATOM 1086 CG MET A 65 11.254 -0.456 -4.046 1.00 0.00 C ATOM 1087 SD MET A 65 10.479 1.009 -4.708 1.00 0.00 S ATOM 1088 CE MET A 65 9.014 0.287 -5.428 1.00 0.00 C ATOM 0 H MET A 65 10.581 -2.869 -2.972 1.00 0.00 H new ATOM 0 HA MET A 65 12.950 -1.509 -2.176 1.00 0.00 H new ATOM 0 HB2 MET A 65 10.016 -0.656 -2.291 1.00 0.00 H new ATOM 0 HB3 MET A 65 11.362 0.447 -2.090 1.00 0.00 H new ATOM 0 HG2 MET A 65 12.316 -0.458 -4.291 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.820 -1.345 -4.503 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.187 0.993 -5.355 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.201 0.054 -6.476 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.758 -0.627 -4.893 1.00 0.00 H new ATOM 1098 N LEU A 66 10.890 -2.416 0.132 1.00 0.00 N ATOM 1099 CA LEU A 66 10.668 -2.476 1.566 1.00 0.00 C ATOM 1100 C LEU A 66 10.196 -3.881 1.947 1.00 0.00 C ATOM 1101 O LEU A 66 9.061 -4.060 2.388 1.00 0.00 O ATOM 1102 CB LEU A 66 9.712 -1.366 2.007 1.00 0.00 C ATOM 1103 CG LEU A 66 8.251 -1.531 1.585 1.00 0.00 C ATOM 1104 CD1 LEU A 66 7.320 -1.476 2.797 1.00 0.00 C ATOM 1105 CD2 LEU A 66 7.868 -0.500 0.521 1.00 0.00 C ATOM 0 H LEU A 66 10.315 -3.056 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 66 11.599 -2.296 2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.749 -1.293 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.079 -0.419 1.611 1.00 0.00 H new ATOM 0 HG LEU A 66 8.135 -2.517 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.288 -1.596 2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.576 -2.278 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.432 -0.515 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.824 -0.639 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.005 0.504 0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.502 -0.630 -0.356 1.00 0.00 H new ATOM 1117 N GLY A 67 11.090 -4.841 1.763 1.00 0.00 N ATOM 1118 CA GLY A 67 10.779 -6.224 2.082 1.00 0.00 C ATOM 1119 C GLY A 67 11.694 -6.751 3.188 1.00 0.00 C ATOM 1120 O GLY A 67 11.242 -7.453 4.092 1.00 0.00 O ATOM 0 H GLY A 67 12.030 -4.689 1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.739 -6.303 2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.889 -6.840 1.190 1.00 0.00 H new TER 1124 GLY A 67