USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ 168:sc= 0 (180deg=-0.117) USER MOD Single : A 2 SER OG : rot 19:sc= 0.855 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl -132:sc= -0.811 (180deg=-4.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -179:sc= 0.349 (180deg=0.349) USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 19 SER OG : rot 64:sc= -0.718 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc=-0.00303 X(o=-0.003,f=-0.3) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -140:sc= -0.338 (180deg=-0.878) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -1.82! C(o=-1.8!,f=-3.4!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0317 USER MOD Single : A 51 HIS : no HE2:sc= 0.00224 X(o=0.0022,f=-0.052) USER MOD Single : A 52 TYR OH : rot 30:sc= -4.2! USER MOD Single : A 54 ASN : amide:sc= -0.298 K(o=-0.3,f=-2.6!) USER MOD Single : A 55 SER OG : rot 170:sc= -2.22 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -7.52! C(o=-9.5!,f=-7.5!) USER MOD Single : A 68 THR OG1 : rot 82:sc= -1.63! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -5.46! C(o=-5.5!,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 6.908 -13.988 -0.214 1.00 0.00 N ATOM 2 CA ARG A 1 6.910 -12.582 0.156 1.00 0.00 C ATOM 3 C ARG A 1 7.402 -11.727 -1.013 1.00 0.00 C ATOM 4 O ARG A 1 8.213 -10.821 -0.827 1.00 0.00 O ATOM 5 CB ARG A 1 7.805 -12.335 1.372 1.00 0.00 C ATOM 6 CG ARG A 1 9.278 -12.551 1.021 1.00 0.00 C ATOM 7 CD ARG A 1 10.165 -11.510 1.710 1.00 0.00 C ATOM 8 NE ARG A 1 11.302 -12.178 2.381 1.00 0.00 N ATOM 9 CZ ARG A 1 11.195 -12.887 3.512 1.00 0.00 C ATOM 10 NH1 ARG A 1 10.003 -13.026 4.106 1.00 0.00 N ATOM 11 NH2 ARG A 1 12.282 -13.458 4.050 1.00 0.00 N ATOM 0 H1 ARG A 1 6.771 -14.571 0.636 1.00 0.00 H new ATOM 0 H2 ARG A 1 6.135 -14.169 -0.886 1.00 0.00 H new ATOM 0 H3 ARG A 1 7.817 -14.232 -0.657 1.00 0.00 H new ATOM 0 HA ARG A 1 5.887 -12.303 0.409 1.00 0.00 H new ATOM 0 HB2 ARG A 1 7.659 -11.317 1.735 1.00 0.00 H new ATOM 0 HB3 ARG A 1 7.518 -13.006 2.182 1.00 0.00 H new ATOM 0 HG2 ARG A 1 9.584 -13.552 1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 1 9.411 -12.490 -0.059 1.00 0.00 H new ATOM 0 HD2 ARG A 1 10.535 -10.793 0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 1 9.581 -10.948 2.439 1.00 0.00 H new ATOM 0 HE ARG A 1 12.225 -12.093 1.955 1.00 0.00 H new ATOM 0 HH11 ARG A 1 9.176 -12.592 3.697 1.00 0.00 H new ATOM 0 HH12 ARG A 1 9.922 -13.566 4.967 1.00 0.00 H new ATOM 0 HH21 ARG A 1 13.190 -13.352 3.598 1.00 0.00 H new ATOM 0 HH22 ARG A 1 12.201 -13.998 4.911 1.00 0.00 H new ATOM 25 N SER A 2 6.888 -12.043 -2.193 1.00 0.00 N ATOM 26 CA SER A 2 7.264 -11.314 -3.392 1.00 0.00 C ATOM 27 C SER A 2 6.200 -11.502 -4.475 1.00 0.00 C ATOM 28 O SER A 2 6.351 -12.344 -5.359 1.00 0.00 O ATOM 29 CB SER A 2 8.632 -11.769 -3.907 1.00 0.00 C ATOM 30 OG SER A 2 9.702 -11.147 -3.203 1.00 0.00 O ATOM 0 H SER A 2 6.214 -12.794 -2.344 1.00 0.00 H new ATOM 0 HA SER A 2 7.334 -10.256 -3.141 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.714 -12.851 -3.809 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.714 -11.538 -4.969 1.00 0.00 H new ATOM 0 HG SER A 2 9.372 -10.796 -2.350 1.00 0.00 H new ATOM 36 N ALA A 3 5.148 -10.705 -4.369 1.00 0.00 N ATOM 37 CA ALA A 3 4.058 -10.772 -5.328 1.00 0.00 C ATOM 38 C ALA A 3 2.907 -9.884 -4.850 1.00 0.00 C ATOM 39 O ALA A 3 2.210 -10.225 -3.895 1.00 0.00 O ATOM 40 CB ALA A 3 3.631 -12.230 -5.513 1.00 0.00 C ATOM 0 H ALA A 3 5.027 -10.009 -3.633 1.00 0.00 H new ATOM 0 HA ALA A 3 4.379 -10.399 -6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.813 -12.281 -6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.475 -12.812 -5.881 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.300 -12.636 -4.557 1.00 0.00 H new ATOM 46 N LEU A 4 2.744 -8.762 -5.535 1.00 0.00 N ATOM 47 CA LEU A 4 1.690 -7.822 -5.193 1.00 0.00 C ATOM 48 C LEU A 4 2.091 -7.050 -3.934 1.00 0.00 C ATOM 49 O LEU A 4 2.177 -5.823 -3.955 1.00 0.00 O ATOM 50 CB LEU A 4 0.348 -8.545 -5.070 1.00 0.00 C ATOM 51 CG LEU A 4 -0.705 -8.189 -6.123 1.00 0.00 C ATOM 52 CD1 LEU A 4 -0.100 -8.204 -7.528 1.00 0.00 C ATOM 53 CD2 LEU A 4 -1.923 -9.107 -6.013 1.00 0.00 C ATOM 0 H LEU A 4 3.324 -8.482 -6.326 1.00 0.00 H new ATOM 0 HA LEU A 4 1.559 -7.089 -5.989 1.00 0.00 H new ATOM 0 HB2 LEU A 4 0.531 -9.619 -5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.067 -8.334 -4.084 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.051 -7.173 -5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.868 -7.948 -8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.710 -7.477 -7.583 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.290 -9.198 -7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.655 -8.832 -6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.614 -10.141 -6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.369 -9.003 -5.024 1.00 0.00 H new ATOM 65 N SER A 5 2.325 -7.801 -2.867 1.00 0.00 N ATOM 66 CA SER A 5 2.715 -7.203 -1.602 1.00 0.00 C ATOM 67 C SER A 5 3.543 -5.941 -1.852 1.00 0.00 C ATOM 68 O SER A 5 3.235 -4.877 -1.318 1.00 0.00 O ATOM 69 CB SER A 5 3.503 -8.194 -0.743 1.00 0.00 C ATOM 70 OG SER A 5 2.712 -8.732 0.312 1.00 0.00 O ATOM 0 H SER A 5 2.252 -8.818 -2.853 1.00 0.00 H new ATOM 0 HA SER A 5 1.809 -6.933 -1.058 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.870 -9.006 -1.371 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.377 -7.695 -0.323 1.00 0.00 H new ATOM 0 HG SER A 5 3.250 -9.361 0.836 1.00 0.00 H new ATOM 76 N CYS A 6 4.577 -6.102 -2.664 1.00 0.00 N ATOM 77 CA CYS A 6 5.451 -4.989 -2.992 1.00 0.00 C ATOM 78 C CYS A 6 4.613 -3.902 -3.667 1.00 0.00 C ATOM 79 O CYS A 6 4.381 -2.842 -3.087 1.00 0.00 O ATOM 80 CB CYS A 6 6.625 -5.431 -3.868 1.00 0.00 C ATOM 81 SG CYS A 6 7.779 -4.091 -4.339 1.00 0.00 S ATOM 0 H CYS A 6 4.829 -6.987 -3.105 1.00 0.00 H new ATOM 0 HA CYS A 6 5.894 -4.590 -2.079 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.184 -6.203 -3.339 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.231 -5.888 -4.776 1.00 0.00 H new ATOM 86 N GLN A 7 4.181 -4.202 -4.883 1.00 0.00 N ATOM 87 CA GLN A 7 3.375 -3.263 -5.643 1.00 0.00 C ATOM 88 C GLN A 7 2.401 -2.530 -4.718 1.00 0.00 C ATOM 89 O GLN A 7 2.343 -1.301 -4.721 1.00 0.00 O ATOM 90 CB GLN A 7 2.627 -3.973 -6.774 1.00 0.00 C ATOM 91 CG GLN A 7 3.552 -4.235 -7.963 1.00 0.00 C ATOM 92 CD GLN A 7 2.884 -3.828 -9.278 1.00 0.00 C ATOM 93 OE1 GLN A 7 2.163 -4.592 -9.901 1.00 0.00 O ATOM 94 NE2 GLN A 7 3.162 -2.586 -9.664 1.00 0.00 N ATOM 0 H GLN A 7 4.374 -5.082 -5.360 1.00 0.00 H new ATOM 0 HA GLN A 7 4.039 -2.527 -6.096 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.221 -4.917 -6.410 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.781 -3.364 -7.094 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.481 -3.679 -7.835 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.816 -5.292 -7.997 1.00 0.00 H new ATOM 0 HE21 GLN A 7 3.773 -2.000 -9.095 1.00 0.00 H new ATOM 0 HE22 GLN A 7 2.764 -2.220 -10.529 1.00 0.00 H new ATOM 103 N MET A 8 1.661 -3.315 -3.948 1.00 0.00 N ATOM 104 CA MET A 8 0.693 -2.754 -3.020 1.00 0.00 C ATOM 105 C MET A 8 1.299 -1.590 -2.233 1.00 0.00 C ATOM 106 O MET A 8 0.638 -0.578 -2.007 1.00 0.00 O ATOM 107 CB MET A 8 0.229 -3.842 -2.049 1.00 0.00 C ATOM 108 CG MET A 8 -0.451 -4.990 -2.796 1.00 0.00 C ATOM 109 SD MET A 8 -1.808 -5.628 -1.829 1.00 0.00 S ATOM 110 CE MET A 8 -2.576 -6.695 -3.037 1.00 0.00 C ATOM 0 H MET A 8 1.712 -4.334 -3.948 1.00 0.00 H new ATOM 0 HA MET A 8 -0.156 -2.378 -3.591 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.083 -4.223 -1.489 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.463 -3.415 -1.323 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.815 -4.641 -3.762 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.270 -5.783 -2.994 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.650 -6.510 -3.056 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.155 -6.492 -4.022 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.392 -7.736 -2.772 1.00 0.00 H new ATOM 120 N CYS A 9 2.549 -1.774 -1.835 1.00 0.00 N ATOM 121 CA CYS A 9 3.251 -0.751 -1.078 1.00 0.00 C ATOM 122 C CYS A 9 3.402 0.486 -1.965 1.00 0.00 C ATOM 123 O CYS A 9 3.256 1.613 -1.495 1.00 0.00 O ATOM 124 CB CYS A 9 4.603 -1.254 -0.567 1.00 0.00 C ATOM 125 SG CYS A 9 5.895 0.033 -0.419 1.00 0.00 S ATOM 0 H CYS A 9 3.094 -2.616 -2.022 1.00 0.00 H new ATOM 0 HA CYS A 9 2.673 -0.492 -0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.457 -1.716 0.409 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.962 -2.034 -1.239 1.00 0.00 H new ATOM 130 N GLU A 10 3.690 0.234 -3.234 1.00 0.00 N ATOM 131 CA GLU A 10 3.860 1.314 -4.192 1.00 0.00 C ATOM 132 C GLU A 10 2.523 2.008 -4.451 1.00 0.00 C ATOM 133 O GLU A 10 2.473 3.030 -5.135 1.00 0.00 O ATOM 134 CB GLU A 10 4.474 0.798 -5.494 1.00 0.00 C ATOM 135 CG GLU A 10 4.743 1.949 -6.466 1.00 0.00 C ATOM 136 CD GLU A 10 6.198 1.938 -6.940 1.00 0.00 C ATOM 137 OE1 GLU A 10 7.079 1.795 -6.065 1.00 0.00 O ATOM 138 OE2 GLU A 10 6.397 2.073 -8.167 1.00 0.00 O ATOM 0 H GLU A 10 3.810 -0.702 -3.621 1.00 0.00 H new ATOM 0 HA GLU A 10 4.549 2.045 -3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.405 0.274 -5.279 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.801 0.076 -5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.076 1.868 -7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.522 2.899 -5.980 1.00 0.00 H new ATOM 146 N LEU A 11 1.472 1.427 -3.893 1.00 0.00 N ATOM 147 CA LEU A 11 0.137 1.978 -4.056 1.00 0.00 C ATOM 148 C LEU A 11 -0.171 2.913 -2.886 1.00 0.00 C ATOM 149 O LEU A 11 -0.550 4.066 -3.090 1.00 0.00 O ATOM 150 CB LEU A 11 -0.887 0.856 -4.234 1.00 0.00 C ATOM 151 CG LEU A 11 -2.355 1.288 -4.268 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.617 2.255 -5.423 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.283 0.071 -4.317 1.00 0.00 C ATOM 0 H LEU A 11 1.517 0.580 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 11 0.080 2.577 -4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.662 0.329 -5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.758 0.141 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.574 1.824 -3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.668 2.545 -5.423 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.995 3.142 -5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.375 1.768 -6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.320 0.405 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.070 -0.513 -5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.121 -0.546 -3.433 1.00 0.00 H new ATOM 165 N VAL A 12 0.003 2.382 -1.684 1.00 0.00 N ATOM 166 CA VAL A 12 -0.253 3.155 -0.481 1.00 0.00 C ATOM 167 C VAL A 12 0.633 4.402 -0.484 1.00 0.00 C ATOM 168 O VAL A 12 0.176 5.493 -0.143 1.00 0.00 O ATOM 169 CB VAL A 12 -0.046 2.278 0.757 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.852 0.983 0.651 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.439 1.984 0.980 1.00 0.00 C ATOM 0 H VAL A 12 0.318 1.426 -1.518 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.289 3.492 -0.456 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.411 2.830 1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.688 0.378 1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.912 1.220 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.532 0.426 -0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.557 1.360 1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.841 1.462 0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.978 2.921 1.122 1.00 0.00 H new ATOM 181 N VAL A 13 1.884 4.201 -0.872 1.00 0.00 N ATOM 182 CA VAL A 13 2.837 5.297 -0.923 1.00 0.00 C ATOM 183 C VAL A 13 2.419 6.279 -2.017 1.00 0.00 C ATOM 184 O VAL A 13 2.181 7.455 -1.743 1.00 0.00 O ATOM 185 CB VAL A 13 4.252 4.749 -1.120 1.00 0.00 C ATOM 186 CG1 VAL A 13 4.654 3.836 0.041 1.00 0.00 C ATOM 187 CG2 VAL A 13 4.377 4.020 -2.460 1.00 0.00 C ATOM 0 H VAL A 13 2.260 3.296 -1.154 1.00 0.00 H new ATOM 0 HA VAL A 13 2.842 5.844 0.020 1.00 0.00 H new ATOM 0 HB VAL A 13 4.939 5.595 -1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.664 3.460 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.625 4.399 0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.960 2.997 0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.392 3.641 -2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.673 3.188 -2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.154 4.712 -3.273 1.00 0.00 H new ATOM 197 N LYS A 14 2.341 5.762 -3.235 1.00 0.00 N ATOM 198 CA LYS A 14 1.955 6.580 -4.373 1.00 0.00 C ATOM 199 C LYS A 14 0.745 7.438 -3.992 1.00 0.00 C ATOM 200 O LYS A 14 0.587 8.550 -4.493 1.00 0.00 O ATOM 201 CB LYS A 14 1.724 5.706 -5.607 1.00 0.00 C ATOM 202 CG LYS A 14 1.350 6.560 -6.821 1.00 0.00 C ATOM 203 CD LYS A 14 1.981 6.004 -8.098 1.00 0.00 C ATOM 204 CE LYS A 14 0.908 5.548 -9.088 1.00 0.00 C ATOM 205 NZ LYS A 14 0.911 6.408 -10.291 1.00 0.00 N ATOM 0 H LYS A 14 2.539 4.787 -3.459 1.00 0.00 H new ATOM 0 HA LYS A 14 2.760 7.264 -4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.625 5.133 -5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.930 4.987 -5.405 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.266 6.589 -6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.682 7.586 -6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.606 6.767 -8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.632 5.166 -7.851 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.087 4.512 -9.375 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.072 5.583 -8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.176 6.083 -10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.718 7.392 -10.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.841 6.354 -10.754 1.00 0.00 H new ATOM 219 N LYS A 15 -0.075 6.888 -3.109 1.00 0.00 N ATOM 220 CA LYS A 15 -1.265 7.588 -2.656 1.00 0.00 C ATOM 221 C LYS A 15 -0.878 8.584 -1.562 1.00 0.00 C ATOM 222 O LYS A 15 -1.394 9.700 -1.523 1.00 0.00 O ATOM 223 CB LYS A 15 -2.343 6.591 -2.227 1.00 0.00 C ATOM 224 CG LYS A 15 -2.871 5.803 -3.428 1.00 0.00 C ATOM 225 CD LYS A 15 -3.662 6.709 -4.373 1.00 0.00 C ATOM 226 CE LYS A 15 -4.269 5.904 -5.524 1.00 0.00 C ATOM 227 NZ LYS A 15 -5.276 6.712 -6.248 1.00 0.00 N ATOM 0 H LYS A 15 0.061 5.966 -2.695 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.703 8.163 -3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.933 5.903 -1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.165 7.123 -1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.038 5.350 -3.965 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.507 4.989 -3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.454 7.214 -3.820 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.008 7.484 -4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.483 5.591 -6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.733 4.997 -5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.690 6.145 -7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.026 7.003 -5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.820 7.556 -6.649 1.00 0.00 H new ATOM 241 N TYR A 16 0.026 8.145 -0.698 1.00 0.00 N ATOM 242 CA TYR A 16 0.487 8.985 0.394 1.00 0.00 C ATOM 243 C TYR A 16 1.430 10.078 -0.115 1.00 0.00 C ATOM 244 O TYR A 16 1.094 11.260 -0.074 1.00 0.00 O ATOM 245 CB TYR A 16 1.260 8.062 1.339 1.00 0.00 C ATOM 246 CG TYR A 16 1.880 8.778 2.540 1.00 0.00 C ATOM 247 CD1 TYR A 16 1.571 10.100 2.790 1.00 0.00 C ATOM 248 CD2 TYR A 16 2.749 8.102 3.373 1.00 0.00 C ATOM 249 CE1 TYR A 16 2.156 10.773 3.920 1.00 0.00 C ATOM 250 CE2 TYR A 16 3.333 8.777 4.503 1.00 0.00 C ATOM 251 CZ TYR A 16 3.007 10.079 4.722 1.00 0.00 C ATOM 252 OH TYR A 16 3.559 10.716 5.789 1.00 0.00 O ATOM 0 H TYR A 16 0.451 7.219 -0.732 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.355 9.475 0.883 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.588 7.284 1.700 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.051 7.565 0.778 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.891 10.629 2.138 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.991 7.068 3.177 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.924 11.807 4.126 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.015 8.261 5.162 1.00 0.00 H new ATOM 0 HH TYR A 16 2.943 11.406 6.112 1.00 0.00 H new ATOM 262 N GLU A 17 2.591 9.643 -0.582 1.00 0.00 N ATOM 263 CA GLU A 17 3.584 10.569 -1.098 1.00 0.00 C ATOM 264 C GLU A 17 2.925 11.590 -2.027 1.00 0.00 C ATOM 265 O GLU A 17 3.292 12.764 -2.025 1.00 0.00 O ATOM 266 CB GLU A 17 4.711 9.822 -1.814 1.00 0.00 C ATOM 267 CG GLU A 17 5.487 8.934 -0.839 1.00 0.00 C ATOM 268 CD GLU A 17 6.238 9.779 0.192 1.00 0.00 C ATOM 269 OE1 GLU A 17 7.386 10.163 -0.117 1.00 0.00 O ATOM 270 OE2 GLU A 17 5.646 10.021 1.267 1.00 0.00 O ATOM 0 H GLU A 17 2.866 8.661 -0.614 1.00 0.00 H new ATOM 0 HA GLU A 17 4.025 11.104 -0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.295 9.211 -2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.389 10.538 -2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.799 8.259 -0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.193 8.313 -1.390 1.00 0.00 H new ATOM 278 N GLY A 18 1.965 11.105 -2.801 1.00 0.00 N ATOM 279 CA GLY A 18 1.252 11.962 -3.734 1.00 0.00 C ATOM 280 C GLY A 18 -0.230 12.057 -3.366 1.00 0.00 C ATOM 281 O GLY A 18 -1.098 11.871 -4.218 1.00 0.00 O ATOM 0 H GLY A 18 1.664 10.130 -2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.696 12.958 -3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.355 11.570 -4.746 1.00 0.00 H new ATOM 285 N SER A 19 -0.475 12.347 -2.097 1.00 0.00 N ATOM 286 CA SER A 19 -1.837 12.470 -1.607 1.00 0.00 C ATOM 287 C SER A 19 -2.253 13.943 -1.582 1.00 0.00 C ATOM 288 O SER A 19 -3.342 14.292 -2.037 1.00 0.00 O ATOM 289 CB SER A 19 -1.979 11.855 -0.214 1.00 0.00 C ATOM 290 OG SER A 19 -3.145 11.044 -0.104 1.00 0.00 O ATOM 0 H SER A 19 0.247 12.500 -1.393 1.00 0.00 H new ATOM 0 HA SER A 19 -2.494 11.924 -2.284 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.097 11.254 0.008 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.019 12.650 0.531 1.00 0.00 H new ATOM 0 HG SER A 19 -3.067 10.276 -0.708 1.00 0.00 H new ATOM 296 N ALA A 20 -1.366 14.767 -1.045 1.00 0.00 N ATOM 297 CA ALA A 20 -1.627 16.193 -0.955 1.00 0.00 C ATOM 298 C ALA A 20 -2.639 16.451 0.164 1.00 0.00 C ATOM 299 O ALA A 20 -3.035 17.592 0.395 1.00 0.00 O ATOM 300 CB ALA A 20 -2.111 16.710 -2.311 1.00 0.00 C ATOM 0 H ALA A 20 -0.465 14.474 -0.667 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.715 16.736 -0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.307 17.780 -2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.345 16.528 -3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.027 16.191 -2.593 1.00 0.00 H new ATOM 306 N ASP A 21 -3.028 15.372 0.827 1.00 0.00 N ATOM 307 CA ASP A 21 -3.986 15.468 1.916 1.00 0.00 C ATOM 308 C ASP A 21 -3.287 15.135 3.235 1.00 0.00 C ATOM 309 O ASP A 21 -3.835 15.375 4.311 1.00 0.00 O ATOM 310 CB ASP A 21 -5.135 14.477 1.727 1.00 0.00 C ATOM 311 CG ASP A 21 -6.405 14.802 2.515 1.00 0.00 C ATOM 312 OD1 ASP A 21 -6.464 14.387 3.692 1.00 0.00 O ATOM 313 OD2 ASP A 21 -7.290 15.456 1.922 1.00 0.00 O ATOM 0 H ASP A 21 -2.698 14.427 0.631 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.383 16.483 1.927 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.385 14.431 0.667 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.790 13.484 2.016 1.00 0.00 H new ATOM 319 N LYS A 22 -2.086 14.589 3.111 1.00 0.00 N ATOM 320 CA LYS A 22 -1.306 14.221 4.281 1.00 0.00 C ATOM 321 C LYS A 22 -2.216 13.527 5.297 1.00 0.00 C ATOM 322 O LYS A 22 -2.292 13.941 6.453 1.00 0.00 O ATOM 323 CB LYS A 22 -0.575 15.442 4.844 1.00 0.00 C ATOM 324 CG LYS A 22 0.199 16.172 3.744 1.00 0.00 C ATOM 325 CD LYS A 22 1.364 15.319 3.235 1.00 0.00 C ATOM 326 CE LYS A 22 2.707 15.963 3.582 1.00 0.00 C ATOM 327 NZ LYS A 22 3.728 14.924 3.847 1.00 0.00 N ATOM 0 H LYS A 22 -1.634 14.392 2.218 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.527 13.509 4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.294 16.122 5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.112 15.129 5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.472 16.408 2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.578 17.119 4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.310 14.323 3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.284 15.195 2.155 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.034 16.601 2.761 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.595 16.602 4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.634 15.379 4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.422 14.332 4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.847 14.331 3.001 1.00 0.00 H new ATOM 341 N ASP A 23 -2.884 12.483 4.829 1.00 0.00 N ATOM 342 CA ASP A 23 -3.784 11.727 5.682 1.00 0.00 C ATOM 343 C ASP A 23 -3.693 10.242 5.326 1.00 0.00 C ATOM 344 O ASP A 23 -4.062 9.841 4.223 1.00 0.00 O ATOM 345 CB ASP A 23 -5.235 12.173 5.483 1.00 0.00 C ATOM 346 CG ASP A 23 -5.807 13.034 6.610 1.00 0.00 C ATOM 347 OD1 ASP A 23 -5.106 13.166 7.636 1.00 0.00 O ATOM 348 OD2 ASP A 23 -6.934 13.542 6.420 1.00 0.00 O ATOM 0 H ASP A 23 -2.820 12.143 3.869 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.491 11.900 6.718 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.303 12.731 4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.860 11.287 5.370 1.00 0.00 H new ATOM 354 N ALA A 24 -3.198 9.467 6.279 1.00 0.00 N ATOM 355 CA ALA A 24 -3.053 8.034 6.079 1.00 0.00 C ATOM 356 C ALA A 24 -4.438 7.402 5.933 1.00 0.00 C ATOM 357 O ALA A 24 -4.555 6.230 5.577 1.00 0.00 O ATOM 358 CB ALA A 24 -2.258 7.435 7.240 1.00 0.00 C ATOM 0 H ALA A 24 -2.892 9.803 7.192 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.498 7.828 5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.149 6.361 7.090 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.272 7.897 7.282 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.786 7.619 8.176 1.00 0.00 H new ATOM 364 N ASN A 25 -5.454 8.205 6.217 1.00 0.00 N ATOM 365 CA ASN A 25 -6.826 7.738 6.122 1.00 0.00 C ATOM 366 C ASN A 25 -7.277 7.788 4.661 1.00 0.00 C ATOM 367 O ASN A 25 -7.754 6.792 4.120 1.00 0.00 O ATOM 368 CB ASN A 25 -7.768 8.624 6.939 1.00 0.00 C ATOM 369 CG ASN A 25 -8.579 7.792 7.934 1.00 0.00 C ATOM 370 OD1 ASN A 25 -9.489 7.063 7.575 1.00 0.00 O ATOM 371 ND2 ASN A 25 -8.201 7.942 9.201 1.00 0.00 N ATOM 0 H ASN A 25 -5.354 9.176 6.513 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.863 6.720 6.510 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.191 9.377 7.475 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.443 9.157 6.270 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.682 7.430 9.941 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.431 8.569 9.433 1.00 0.00 H new ATOM 378 N VAL A 26 -7.112 8.960 4.064 1.00 0.00 N ATOM 379 CA VAL A 26 -7.497 9.154 2.677 1.00 0.00 C ATOM 380 C VAL A 26 -6.488 8.448 1.769 1.00 0.00 C ATOM 381 O VAL A 26 -6.707 8.330 0.564 1.00 0.00 O ATOM 382 CB VAL A 26 -7.632 10.648 2.375 1.00 0.00 C ATOM 383 CG1 VAL A 26 -8.590 10.886 1.206 1.00 0.00 C ATOM 384 CG2 VAL A 26 -8.077 11.420 3.617 1.00 0.00 C ATOM 0 H VAL A 26 -6.717 9.784 4.516 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.473 8.709 2.485 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.650 11.022 2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.668 11.956 1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.211 10.382 0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.574 10.490 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.165 12.479 3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.043 11.043 3.953 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.341 11.289 4.410 1.00 0.00 H new ATOM 394 N ILE A 27 -5.403 7.997 2.381 1.00 0.00 N ATOM 395 CA ILE A 27 -4.359 7.307 1.644 1.00 0.00 C ATOM 396 C ILE A 27 -4.664 5.807 1.620 1.00 0.00 C ATOM 397 O ILE A 27 -5.081 5.272 0.594 1.00 0.00 O ATOM 398 CB ILE A 27 -2.983 7.645 2.219 1.00 0.00 C ATOM 399 CG1 ILE A 27 -2.631 9.114 1.974 1.00 0.00 C ATOM 400 CG2 ILE A 27 -1.911 6.701 1.671 1.00 0.00 C ATOM 401 CD1 ILE A 27 -1.494 9.567 2.891 1.00 0.00 C ATOM 0 H ILE A 27 -5.224 8.096 3.380 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.337 7.646 0.608 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.020 7.498 3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.340 9.253 0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.510 9.735 2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.943 6.964 2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.159 5.674 1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.867 6.791 0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.264 10.614 2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.797 9.450 3.931 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.609 8.960 2.700 1.00 0.00 H new ATOM 413 N LYS A 28 -4.443 5.173 2.761 1.00 0.00 N ATOM 414 CA LYS A 28 -4.689 3.746 2.883 1.00 0.00 C ATOM 415 C LYS A 28 -5.982 3.391 2.149 1.00 0.00 C ATOM 416 O LYS A 28 -6.074 2.338 1.519 1.00 0.00 O ATOM 417 CB LYS A 28 -4.682 3.326 4.355 1.00 0.00 C ATOM 418 CG LYS A 28 -6.081 3.446 4.965 1.00 0.00 C ATOM 419 CD LYS A 28 -6.001 3.680 6.475 1.00 0.00 C ATOM 420 CE LYS A 28 -5.551 2.412 7.203 1.00 0.00 C ATOM 421 NZ LYS A 28 -6.123 2.367 8.568 1.00 0.00 N ATOM 0 H LYS A 28 -4.096 5.620 3.610 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.888 3.179 2.409 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.330 2.298 4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.983 3.950 4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.618 4.269 4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.649 2.538 4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.303 4.491 6.685 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.975 3.993 6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.865 1.532 6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.463 2.384 7.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.808 1.500 9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.802 3.197 9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.161 2.372 8.510 1.00 0.00 H new ATOM 435 N LYS A 29 -6.950 4.289 2.252 1.00 0.00 N ATOM 436 CA LYS A 29 -8.235 4.084 1.604 1.00 0.00 C ATOM 437 C LYS A 29 -8.053 4.152 0.086 1.00 0.00 C ATOM 438 O LYS A 29 -8.473 3.249 -0.634 1.00 0.00 O ATOM 439 CB LYS A 29 -9.271 5.071 2.145 1.00 0.00 C ATOM 440 CG LYS A 29 -9.941 4.526 3.407 1.00 0.00 C ATOM 441 CD LYS A 29 -10.519 5.662 4.255 1.00 0.00 C ATOM 442 CE LYS A 29 -11.248 6.682 3.379 1.00 0.00 C ATOM 443 NZ LYS A 29 -12.503 6.105 2.845 1.00 0.00 N ATOM 0 H LYS A 29 -6.871 5.161 2.775 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.624 3.092 1.834 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.790 6.023 2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.026 5.265 1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.736 3.833 3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.216 3.962 3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.208 5.254 4.995 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.717 6.156 4.804 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.471 7.576 3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.603 6.990 2.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.985 6.811 2.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.283 5.265 2.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.124 5.833 3.634 1.00 0.00 H new ATOM 457 N ASP A 30 -7.426 5.234 -0.353 1.00 0.00 N ATOM 458 CA ASP A 30 -7.183 5.432 -1.772 1.00 0.00 C ATOM 459 C ASP A 30 -6.605 4.148 -2.371 1.00 0.00 C ATOM 460 O ASP A 30 -7.104 3.649 -3.378 1.00 0.00 O ATOM 461 CB ASP A 30 -6.173 6.558 -2.006 1.00 0.00 C ATOM 462 CG ASP A 30 -6.640 7.656 -2.965 1.00 0.00 C ATOM 463 OD1 ASP A 30 -7.287 7.294 -3.970 1.00 0.00 O ATOM 464 OD2 ASP A 30 -6.339 8.833 -2.669 1.00 0.00 O ATOM 0 H ASP A 30 -7.079 5.982 0.248 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.131 5.693 -2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.931 7.014 -1.046 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.252 6.124 -2.395 1.00 0.00 H new ATOM 470 N PHE A 31 -5.561 3.649 -1.726 1.00 0.00 N ATOM 471 CA PHE A 31 -4.909 2.433 -2.182 1.00 0.00 C ATOM 472 C PHE A 31 -5.941 1.370 -2.565 1.00 0.00 C ATOM 473 O PHE A 31 -5.935 0.870 -3.689 1.00 0.00 O ATOM 474 CB PHE A 31 -4.066 1.913 -1.015 1.00 0.00 C ATOM 475 CG PHE A 31 -3.723 0.425 -1.111 1.00 0.00 C ATOM 476 CD1 PHE A 31 -4.640 -0.510 -0.745 1.00 0.00 C ATOM 477 CD2 PHE A 31 -2.500 0.037 -1.564 1.00 0.00 C ATOM 478 CE1 PHE A 31 -4.321 -1.891 -0.834 1.00 0.00 C ATOM 479 CE2 PHE A 31 -2.182 -1.343 -1.653 1.00 0.00 C ATOM 480 CZ PHE A 31 -3.099 -2.278 -1.286 1.00 0.00 C ATOM 0 H PHE A 31 -5.150 4.065 -0.890 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.300 2.643 -3.061 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.140 2.486 -0.965 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.603 2.092 -0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.611 -0.202 -0.387 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.772 0.779 -1.856 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.049 -2.633 -0.543 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.211 -1.651 -2.012 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.856 -3.328 -1.354 1.00 0.00 H new ATOM 490 N ASP A 32 -6.802 1.055 -1.608 1.00 0.00 N ATOM 491 CA ASP A 32 -7.837 0.060 -1.831 1.00 0.00 C ATOM 492 C ASP A 32 -8.553 0.362 -3.148 1.00 0.00 C ATOM 493 O ASP A 32 -9.005 -0.551 -3.837 1.00 0.00 O ATOM 494 CB ASP A 32 -8.878 0.088 -0.710 1.00 0.00 C ATOM 495 CG ASP A 32 -10.027 -0.910 -0.871 1.00 0.00 C ATOM 496 OD1 ASP A 32 -9.841 -1.871 -1.647 1.00 0.00 O ATOM 497 OD2 ASP A 32 -11.067 -0.687 -0.212 1.00 0.00 O ATOM 0 H ASP A 32 -6.804 1.471 -0.677 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.362 -0.921 -1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.376 -0.109 0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.295 1.093 -0.647 1.00 0.00 H new ATOM 503 N ALA A 33 -8.634 1.647 -3.460 1.00 0.00 N ATOM 504 CA ALA A 33 -9.287 2.081 -4.684 1.00 0.00 C ATOM 505 C ALA A 33 -8.584 1.449 -5.885 1.00 0.00 C ATOM 506 O ALA A 33 -9.195 0.699 -6.644 1.00 0.00 O ATOM 507 CB ALA A 33 -9.290 3.609 -4.747 1.00 0.00 C ATOM 0 H ALA A 33 -8.258 2.402 -2.886 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.326 1.752 -4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -9.780 3.934 -5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.829 4.008 -3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.264 3.976 -4.734 1.00 0.00 H new ATOM 513 N GLU A 34 -7.306 1.773 -6.020 1.00 0.00 N ATOM 514 CA GLU A 34 -6.512 1.245 -7.117 1.00 0.00 C ATOM 515 C GLU A 34 -5.941 -0.125 -6.747 1.00 0.00 C ATOM 516 O GLU A 34 -4.958 -0.571 -7.336 1.00 0.00 O ATOM 517 CB GLU A 34 -5.395 2.219 -7.502 1.00 0.00 C ATOM 518 CG GLU A 34 -4.869 1.919 -8.908 1.00 0.00 C ATOM 519 CD GLU A 34 -6.017 1.820 -9.913 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.665 2.865 -10.141 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.221 0.702 -10.434 1.00 0.00 O ATOM 0 H GLU A 34 -6.801 2.394 -5.388 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.160 1.124 -7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.769 3.242 -7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.580 2.147 -6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.178 2.703 -9.216 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.308 0.985 -8.898 1.00 0.00 H new ATOM 529 N CYS A 35 -6.583 -0.755 -5.774 1.00 0.00 N ATOM 530 CA CYS A 35 -6.151 -2.066 -5.320 1.00 0.00 C ATOM 531 C CYS A 35 -7.207 -3.091 -5.738 1.00 0.00 C ATOM 532 O CYS A 35 -6.873 -4.158 -6.250 1.00 0.00 O ATOM 533 CB CYS A 35 -5.902 -2.087 -3.810 1.00 0.00 C ATOM 534 SG CYS A 35 -4.911 -3.507 -3.216 1.00 0.00 S ATOM 0 H CYS A 35 -7.398 -0.382 -5.288 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.197 -2.319 -5.784 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.396 -1.164 -3.526 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.864 -2.093 -3.297 1.00 0.00 H new ATOM 539 N LYS A 36 -8.460 -2.731 -5.505 1.00 0.00 N ATOM 540 CA LYS A 36 -9.568 -3.606 -5.850 1.00 0.00 C ATOM 541 C LYS A 36 -9.745 -3.620 -7.370 1.00 0.00 C ATOM 542 O LYS A 36 -9.723 -4.681 -7.992 1.00 0.00 O ATOM 543 CB LYS A 36 -10.830 -3.201 -5.087 1.00 0.00 C ATOM 544 CG LYS A 36 -11.055 -4.111 -3.877 1.00 0.00 C ATOM 545 CD LYS A 36 -12.497 -4.621 -3.835 1.00 0.00 C ATOM 546 CE LYS A 36 -12.848 -5.159 -2.447 1.00 0.00 C ATOM 547 NZ LYS A 36 -13.568 -6.447 -2.557 1.00 0.00 N ATOM 0 H LYS A 36 -8.733 -1.844 -5.081 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.355 -4.630 -5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.743 -2.166 -4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.693 -3.253 -5.751 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.368 -4.956 -3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.832 -3.565 -2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.180 -3.814 -4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.630 -5.407 -4.578 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.938 -5.293 -1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.465 -4.435 -1.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.333 -6.478 -1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.971 -6.539 -3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.906 -7.230 -2.384 1.00 0.00 H new ATOM 561 N LYS A 37 -9.920 -2.428 -7.924 1.00 0.00 N ATOM 562 CA LYS A 37 -10.102 -2.290 -9.359 1.00 0.00 C ATOM 563 C LYS A 37 -8.852 -2.801 -10.079 1.00 0.00 C ATOM 564 O LYS A 37 -8.953 -3.469 -11.106 1.00 0.00 O ATOM 565 CB LYS A 37 -10.471 -0.848 -9.715 1.00 0.00 C ATOM 566 CG LYS A 37 -11.889 -0.515 -9.251 1.00 0.00 C ATOM 567 CD LYS A 37 -11.907 0.772 -8.423 1.00 0.00 C ATOM 568 CE LYS A 37 -11.699 1.999 -9.311 1.00 0.00 C ATOM 569 NZ LYS A 37 -13.002 2.540 -9.761 1.00 0.00 N ATOM 0 H LYS A 37 -9.939 -1.550 -7.405 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.938 -2.902 -9.698 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.762 -0.162 -9.251 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.394 -0.705 -10.793 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.542 -0.404 -10.117 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.284 -1.339 -8.657 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.858 0.857 -7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.125 0.731 -7.664 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.151 2.764 -8.761 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.092 1.731 -10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.843 3.373 -10.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.511 1.813 -10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.568 2.814 -8.933 1.00 0.00 H new ATOM 583 N LEU A 38 -7.702 -2.467 -9.510 1.00 0.00 N ATOM 584 CA LEU A 38 -6.435 -2.885 -10.085 1.00 0.00 C ATOM 585 C LEU A 38 -6.335 -4.411 -10.038 1.00 0.00 C ATOM 586 O LEU A 38 -6.184 -5.059 -11.072 1.00 0.00 O ATOM 587 CB LEU A 38 -5.272 -2.170 -9.392 1.00 0.00 C ATOM 588 CG LEU A 38 -3.893 -2.364 -10.027 1.00 0.00 C ATOM 589 CD1 LEU A 38 -2.803 -1.709 -9.177 1.00 0.00 C ATOM 590 CD2 LEU A 38 -3.610 -3.845 -10.282 1.00 0.00 C ATOM 0 H LEU A 38 -7.622 -1.912 -8.658 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.379 -2.595 -11.134 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.491 -1.103 -9.366 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.226 -2.512 -8.358 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.889 -1.865 -10.996 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.833 -1.861 -9.650 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.001 -0.641 -9.091 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.797 -2.158 -8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.624 -3.955 -10.734 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.639 -4.389 -9.338 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.365 -4.249 -10.957 1.00 0.00 H new ATOM 602 N PHE A 39 -6.425 -4.940 -8.826 1.00 0.00 N ATOM 603 CA PHE A 39 -6.347 -6.377 -8.630 1.00 0.00 C ATOM 604 C PHE A 39 -7.738 -7.013 -8.675 1.00 0.00 C ATOM 605 O PHE A 39 -7.980 -8.030 -8.027 1.00 0.00 O ATOM 606 CB PHE A 39 -5.738 -6.608 -7.245 1.00 0.00 C ATOM 607 CG PHE A 39 -4.394 -5.908 -7.032 1.00 0.00 C ATOM 608 CD1 PHE A 39 -3.383 -6.090 -7.924 1.00 0.00 C ATOM 609 CD2 PHE A 39 -4.210 -5.104 -5.951 1.00 0.00 C ATOM 610 CE1 PHE A 39 -2.137 -5.440 -7.727 1.00 0.00 C ATOM 611 CE2 PHE A 39 -2.963 -4.455 -5.752 1.00 0.00 C ATOM 612 CZ PHE A 39 -1.952 -4.636 -6.645 1.00 0.00 C ATOM 0 H PHE A 39 -6.551 -4.399 -7.971 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.745 -6.828 -9.419 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.441 -6.261 -6.488 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.607 -7.679 -7.091 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.529 -6.729 -8.782 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.013 -4.959 -5.243 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.335 -5.584 -8.436 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.817 -3.818 -4.892 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.004 -4.142 -6.495 1.00 0.00 H new ATOM 622 N HIS A 40 -8.615 -6.388 -9.446 1.00 0.00 N ATOM 623 CA HIS A 40 -9.975 -6.880 -9.584 1.00 0.00 C ATOM 624 C HIS A 40 -9.967 -8.203 -10.351 1.00 0.00 C ATOM 625 O HIS A 40 -11.002 -8.854 -10.483 1.00 0.00 O ATOM 626 CB HIS A 40 -10.871 -5.824 -10.234 1.00 0.00 C ATOM 627 CG HIS A 40 -12.035 -6.396 -11.006 1.00 0.00 C ATOM 628 ND1 HIS A 40 -12.941 -7.282 -10.450 1.00 0.00 N ATOM 629 CD2 HIS A 40 -12.430 -6.202 -12.298 1.00 0.00 C ATOM 630 CE1 HIS A 40 -13.837 -7.600 -11.372 1.00 0.00 C ATOM 631 NE2 HIS A 40 -13.519 -6.929 -12.517 1.00 0.00 N ATOM 0 H HIS A 40 -8.410 -5.545 -9.982 1.00 0.00 H new ATOM 0 HA HIS A 40 -10.397 -7.074 -8.598 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -11.254 -5.160 -9.459 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.267 -5.214 -10.906 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.940 -5.565 -13.020 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -14.672 -8.272 -11.241 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -14.033 -6.978 -13.396 1.00 0.00 H new ATOM 640 N THR A 41 -8.787 -8.562 -10.836 1.00 0.00 N ATOM 641 CA THR A 41 -8.631 -9.797 -11.585 1.00 0.00 C ATOM 642 C THR A 41 -7.594 -10.700 -10.915 1.00 0.00 C ATOM 643 O THR A 41 -6.906 -11.468 -11.587 1.00 0.00 O ATOM 644 CB THR A 41 -8.275 -9.431 -13.028 1.00 0.00 C ATOM 645 OG1 THR A 41 -6.919 -9.002 -12.954 1.00 0.00 O ATOM 646 CG2 THR A 41 -9.031 -8.196 -13.523 1.00 0.00 C ATOM 0 H THR A 41 -7.931 -8.019 -10.725 1.00 0.00 H new ATOM 0 HA THR A 41 -9.557 -10.372 -11.598 1.00 0.00 H new ATOM 0 HB THR A 41 -8.494 -10.276 -13.681 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.607 -8.747 -13.848 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.742 -7.980 -14.551 1.00 0.00 H new ATOM 0 HG22 THR A 41 -10.104 -8.385 -13.480 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.787 -7.342 -12.891 1.00 0.00 H new ATOM 654 N ILE A 42 -7.513 -10.579 -9.599 1.00 0.00 N ATOM 655 CA ILE A 42 -6.572 -11.375 -8.830 1.00 0.00 C ATOM 656 C ILE A 42 -7.344 -12.346 -7.934 1.00 0.00 C ATOM 657 O ILE A 42 -8.364 -11.982 -7.352 1.00 0.00 O ATOM 658 CB ILE A 42 -5.605 -10.470 -8.064 1.00 0.00 C ATOM 659 CG1 ILE A 42 -5.108 -9.325 -8.949 1.00 0.00 C ATOM 660 CG2 ILE A 42 -4.448 -11.279 -7.472 1.00 0.00 C ATOM 661 CD1 ILE A 42 -4.294 -9.857 -10.130 1.00 0.00 C ATOM 0 H ILE A 42 -8.084 -9.941 -9.045 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.952 -11.977 -9.494 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.145 -10.022 -7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.958 -8.751 -9.318 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.496 -8.644 -8.358 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.776 -10.612 -6.933 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.842 -12.029 -6.786 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.901 -11.773 -8.275 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.953 -9.022 -10.742 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.432 -10.410 -9.758 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.917 -10.519 -10.732 1.00 0.00 H new ATOM 673 N PRO A 43 -6.814 -13.596 -7.851 1.00 0.00 N ATOM 674 CA PRO A 43 -7.441 -14.622 -7.036 1.00 0.00 C ATOM 675 C PRO A 43 -7.183 -14.376 -5.549 1.00 0.00 C ATOM 676 O PRO A 43 -7.450 -15.242 -4.717 1.00 0.00 O ATOM 677 CB PRO A 43 -6.853 -15.933 -7.533 1.00 0.00 C ATOM 678 CG PRO A 43 -5.582 -15.562 -8.280 1.00 0.00 C ATOM 679 CD PRO A 43 -5.606 -14.063 -8.527 1.00 0.00 C ATOM 0 HA PRO A 43 -8.527 -14.627 -7.129 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.636 -16.604 -6.702 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.553 -16.452 -8.187 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.703 -15.839 -7.698 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.523 -16.103 -9.224 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.715 -13.581 -8.124 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -5.636 -13.838 -9.593 1.00 0.00 H new ATOM 687 N PHE A 44 -6.667 -13.191 -5.259 1.00 0.00 N ATOM 688 CA PHE A 44 -6.370 -12.820 -3.885 1.00 0.00 C ATOM 689 C PHE A 44 -5.918 -11.361 -3.798 1.00 0.00 C ATOM 690 O PHE A 44 -5.048 -11.024 -2.996 1.00 0.00 O ATOM 691 CB PHE A 44 -5.229 -13.724 -3.415 1.00 0.00 C ATOM 692 CG PHE A 44 -4.227 -14.086 -4.514 1.00 0.00 C ATOM 693 CD1 PHE A 44 -3.482 -13.112 -5.102 1.00 0.00 C ATOM 694 CD2 PHE A 44 -4.084 -15.381 -4.904 1.00 0.00 C ATOM 695 CE1 PHE A 44 -2.553 -13.448 -6.122 1.00 0.00 C ATOM 696 CE2 PHE A 44 -3.155 -15.717 -5.924 1.00 0.00 C ATOM 697 CZ PHE A 44 -2.409 -14.744 -6.511 1.00 0.00 C ATOM 0 H PHE A 44 -6.447 -12.475 -5.951 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.261 -12.934 -3.267 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.698 -13.228 -2.603 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.651 -14.642 -3.006 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.597 -12.083 -4.793 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.677 -16.154 -4.438 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.961 -12.675 -6.589 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.041 -16.745 -6.233 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.702 -15.000 -7.286 1.00 0.00 H new ATOM 707 N GLY A 45 -6.529 -10.534 -4.633 1.00 0.00 N ATOM 708 CA GLY A 45 -6.201 -9.118 -4.660 1.00 0.00 C ATOM 709 C GLY A 45 -7.062 -8.337 -3.663 1.00 0.00 C ATOM 710 O GLY A 45 -6.646 -8.102 -2.530 1.00 0.00 O ATOM 0 H GLY A 45 -7.250 -10.817 -5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.146 -8.981 -4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.354 -8.724 -5.665 1.00 0.00 H new ATOM 714 N THR A 46 -8.245 -7.958 -4.123 1.00 0.00 N ATOM 715 CA THR A 46 -9.166 -7.208 -3.286 1.00 0.00 C ATOM 716 C THR A 46 -9.063 -7.671 -1.832 1.00 0.00 C ATOM 717 O THR A 46 -9.167 -6.862 -0.910 1.00 0.00 O ATOM 718 CB THR A 46 -10.571 -7.362 -3.874 1.00 0.00 C ATOM 719 OG1 THR A 46 -10.874 -8.742 -3.690 1.00 0.00 O ATOM 720 CG2 THR A 46 -10.593 -7.175 -5.393 1.00 0.00 C ATOM 0 H THR A 46 -8.587 -8.156 -5.063 1.00 0.00 H new ATOM 0 HA THR A 46 -8.916 -6.147 -3.275 1.00 0.00 H new ATOM 0 HB THR A 46 -11.241 -6.639 -3.409 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.769 -8.930 -4.042 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.613 -7.294 -5.760 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.232 -6.177 -5.642 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.950 -7.920 -5.861 1.00 0.00 H new ATOM 728 N ARG A 47 -8.859 -8.970 -1.670 1.00 0.00 N ATOM 729 CA ARG A 47 -8.740 -9.550 -0.343 1.00 0.00 C ATOM 730 C ARG A 47 -7.508 -8.992 0.372 1.00 0.00 C ATOM 731 O ARG A 47 -7.612 -8.473 1.482 1.00 0.00 O ATOM 732 CB ARG A 47 -8.632 -11.074 -0.416 1.00 0.00 C ATOM 733 CG ARG A 47 -8.393 -11.674 0.971 1.00 0.00 C ATOM 734 CD ARG A 47 -9.700 -11.768 1.761 1.00 0.00 C ATOM 735 NE ARG A 47 -9.447 -12.370 3.089 1.00 0.00 N ATOM 736 CZ ARG A 47 -10.392 -12.943 3.846 1.00 0.00 C ATOM 737 NH1 ARG A 47 -11.659 -12.997 3.411 1.00 0.00 N ATOM 738 NH2 ARG A 47 -10.071 -13.463 5.039 1.00 0.00 N ATOM 0 H ARG A 47 -8.773 -9.638 -2.436 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.638 -9.287 0.215 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.546 -11.487 -0.842 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.816 -11.353 -1.082 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.952 -12.666 0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.677 -11.061 1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.135 -10.776 1.879 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.424 -12.370 1.212 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.493 -12.347 3.450 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.904 -12.602 2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.378 -13.433 3.988 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.107 -13.422 5.370 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.791 -13.899 5.615 1.00 0.00 H new ATOM 752 N GLU A 48 -6.369 -9.117 -0.294 1.00 0.00 N ATOM 753 CA GLU A 48 -5.118 -8.631 0.264 1.00 0.00 C ATOM 754 C GLU A 48 -5.154 -7.107 0.398 1.00 0.00 C ATOM 755 O GLU A 48 -4.505 -6.543 1.277 1.00 0.00 O ATOM 756 CB GLU A 48 -3.928 -9.081 -0.586 1.00 0.00 C ATOM 757 CG GLU A 48 -2.950 -9.919 0.239 1.00 0.00 C ATOM 758 CD GLU A 48 -2.679 -9.267 1.597 1.00 0.00 C ATOM 759 OE1 GLU A 48 -2.494 -8.030 1.606 1.00 0.00 O ATOM 760 OE2 GLU A 48 -2.663 -10.019 2.595 1.00 0.00 O ATOM 0 H GLU A 48 -6.286 -9.548 -1.215 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.994 -9.060 1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.283 -9.663 -1.436 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.414 -8.208 -0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.357 -10.919 0.387 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.013 -10.034 -0.307 1.00 0.00 H new ATOM 768 N CYS A 49 -5.916 -6.485 -0.489 1.00 0.00 N ATOM 769 CA CYS A 49 -6.044 -5.038 -0.481 1.00 0.00 C ATOM 770 C CYS A 49 -6.383 -4.593 0.943 1.00 0.00 C ATOM 771 O CYS A 49 -5.538 -4.036 1.642 1.00 0.00 O ATOM 772 CB CYS A 49 -7.086 -4.556 -1.493 1.00 0.00 C ATOM 773 SG CYS A 49 -6.648 -4.853 -3.245 1.00 0.00 S ATOM 0 H CYS A 49 -6.451 -6.957 -1.218 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.101 -4.586 -0.787 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.034 -5.051 -1.281 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.245 -3.487 -1.349 1.00 0.00 H new ATOM 778 N ASP A 50 -7.623 -4.856 1.331 1.00 0.00 N ATOM 779 CA ASP A 50 -8.085 -4.490 2.659 1.00 0.00 C ATOM 780 C ASP A 50 -7.161 -5.116 3.706 1.00 0.00 C ATOM 781 O ASP A 50 -7.120 -4.668 4.850 1.00 0.00 O ATOM 782 CB ASP A 50 -9.503 -5.005 2.910 1.00 0.00 C ATOM 783 CG ASP A 50 -10.603 -3.946 2.812 1.00 0.00 C ATOM 784 OD1 ASP A 50 -10.328 -2.900 2.186 1.00 0.00 O ATOM 785 OD2 ASP A 50 -11.693 -4.207 3.364 1.00 0.00 O ATOM 0 H ASP A 50 -8.321 -5.318 0.749 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.079 -3.402 2.731 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.718 -5.797 2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.540 -5.454 3.902 1.00 0.00 H new ATOM 791 N HIS A 51 -6.444 -6.144 3.277 1.00 0.00 N ATOM 792 CA HIS A 51 -5.524 -6.837 4.163 1.00 0.00 C ATOM 793 C HIS A 51 -4.157 -6.152 4.121 1.00 0.00 C ATOM 794 O HIS A 51 -3.200 -6.632 4.725 1.00 0.00 O ATOM 795 CB HIS A 51 -5.453 -8.325 3.816 1.00 0.00 C ATOM 796 CG HIS A 51 -5.319 -9.230 5.016 1.00 0.00 C ATOM 797 ND1 HIS A 51 -4.143 -9.352 5.737 1.00 0.00 N ATOM 798 CD2 HIS A 51 -6.224 -10.056 5.616 1.00 0.00 C ATOM 799 CE1 HIS A 51 -4.344 -10.214 6.723 1.00 0.00 C ATOM 800 NE2 HIS A 51 -5.634 -10.649 6.646 1.00 0.00 N ATOM 0 H HIS A 51 -6.481 -6.514 2.327 1.00 0.00 H new ATOM 0 HA HIS A 51 -5.888 -6.780 5.189 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.351 -8.602 3.264 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.606 -8.492 3.151 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -3.270 -8.862 5.542 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.248 -10.202 5.305 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -3.614 -10.519 7.459 1.00 0.00 H new ATOM 809 N TYR A 52 -4.109 -5.041 3.401 1.00 0.00 N ATOM 810 CA TYR A 52 -2.876 -4.284 3.272 1.00 0.00 C ATOM 811 C TYR A 52 -2.993 -2.922 3.958 1.00 0.00 C ATOM 812 O TYR A 52 -2.111 -2.529 4.721 1.00 0.00 O ATOM 813 CB TYR A 52 -2.667 -4.070 1.772 1.00 0.00 C ATOM 814 CG TYR A 52 -1.217 -3.779 1.380 1.00 0.00 C ATOM 815 CD1 TYR A 52 -0.247 -4.745 1.555 1.00 0.00 C ATOM 816 CD2 TYR A 52 -0.878 -2.550 0.850 1.00 0.00 C ATOM 817 CE1 TYR A 52 1.117 -4.471 1.187 1.00 0.00 C ATOM 818 CE2 TYR A 52 0.487 -2.276 0.482 1.00 0.00 C ATOM 819 CZ TYR A 52 1.416 -3.250 0.669 1.00 0.00 C ATOM 820 OH TYR A 52 2.706 -2.992 0.321 1.00 0.00 O ATOM 0 H TYR A 52 -4.905 -4.647 2.900 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.048 -4.819 3.737 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.005 -4.958 1.238 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.295 -3.242 1.443 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.512 -5.707 1.968 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.637 -1.794 0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.886 -5.218 1.319 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.766 -1.319 0.067 1.00 0.00 H new ATOM 0 HH TYR A 52 3.144 -3.825 0.049 1.00 0.00 H new ATOM 830 N VAL A 53 -4.090 -2.239 3.663 1.00 0.00 N ATOM 831 CA VAL A 53 -4.334 -0.929 4.242 1.00 0.00 C ATOM 832 C VAL A 53 -4.804 -1.095 5.688 1.00 0.00 C ATOM 833 O VAL A 53 -5.856 -0.584 6.065 1.00 0.00 O ATOM 834 CB VAL A 53 -5.326 -0.151 3.377 1.00 0.00 C ATOM 835 CG1 VAL A 53 -5.071 -0.402 1.889 1.00 0.00 C ATOM 836 CG2 VAL A 53 -6.769 -0.497 3.751 1.00 0.00 C ATOM 0 H VAL A 53 -4.819 -2.568 3.031 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.414 -0.344 4.264 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.175 0.911 3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.790 0.163 1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.060 -0.083 1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.180 -1.465 1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.454 0.070 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.938 -1.564 3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.944 -0.244 4.797 1.00 0.00 H new ATOM 846 N ASN A 54 -4.000 -1.813 6.460 1.00 0.00 N ATOM 847 CA ASN A 54 -4.321 -2.053 7.856 1.00 0.00 C ATOM 848 C ASN A 54 -3.335 -3.070 8.435 1.00 0.00 C ATOM 849 O ASN A 54 -3.726 -3.960 9.189 1.00 0.00 O ATOM 850 CB ASN A 54 -5.732 -2.625 8.007 1.00 0.00 C ATOM 851 CG ASN A 54 -6.460 -1.986 9.191 1.00 0.00 C ATOM 852 OD1 ASN A 54 -6.071 -0.949 9.705 1.00 0.00 O ATOM 853 ND2 ASN A 54 -7.533 -2.659 9.594 1.00 0.00 N ATOM 0 H ASN A 54 -3.127 -2.236 6.144 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.259 -1.101 8.384 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.298 -2.452 7.092 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.677 -3.704 8.149 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.087 -2.314 10.378 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.803 -3.520 9.119 1.00 0.00 H new ATOM 860 N SER A 55 -2.075 -2.904 8.059 1.00 0.00 N ATOM 861 CA SER A 55 -1.030 -3.797 8.530 1.00 0.00 C ATOM 862 C SER A 55 0.261 -3.550 7.748 1.00 0.00 C ATOM 863 O SER A 55 1.356 -3.754 8.269 1.00 0.00 O ATOM 864 CB SER A 55 -1.456 -5.260 8.402 1.00 0.00 C ATOM 865 OG SER A 55 -0.342 -6.148 8.457 1.00 0.00 O ATOM 0 H SER A 55 -1.755 -2.165 7.434 1.00 0.00 H new ATOM 0 HA SER A 55 -0.854 -3.590 9.585 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.155 -5.505 9.202 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.987 -5.402 7.460 1.00 0.00 H new ATOM 0 HG SER A 55 -0.663 -7.071 8.534 1.00 0.00 H new ATOM 871 N LYS A 56 0.091 -3.113 6.509 1.00 0.00 N ATOM 872 CA LYS A 56 1.229 -2.836 5.649 1.00 0.00 C ATOM 873 C LYS A 56 1.274 -1.339 5.337 1.00 0.00 C ATOM 874 O LYS A 56 2.216 -0.861 4.707 1.00 0.00 O ATOM 875 CB LYS A 56 1.188 -3.723 4.404 1.00 0.00 C ATOM 876 CG LYS A 56 1.249 -5.205 4.782 1.00 0.00 C ATOM 877 CD LYS A 56 -0.156 -5.792 4.925 1.00 0.00 C ATOM 878 CE LYS A 56 -0.154 -6.997 5.867 1.00 0.00 C ATOM 879 NZ LYS A 56 0.065 -8.248 5.108 1.00 0.00 N ATOM 0 H LYS A 56 -0.819 -2.944 6.080 1.00 0.00 H new ATOM 0 HA LYS A 56 2.161 -3.084 6.158 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.275 -3.525 3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.024 -3.476 3.750 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.801 -5.756 4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.793 -5.323 5.719 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.835 -5.029 5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.530 -6.092 3.946 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.628 -6.878 6.617 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.103 -7.050 6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.063 -9.056 5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.696 -8.367 4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.981 -8.201 4.618 1.00 0.00 H new ATOM 893 N VAL A 57 0.244 -0.641 5.793 1.00 0.00 N ATOM 894 CA VAL A 57 0.155 0.793 5.570 1.00 0.00 C ATOM 895 C VAL A 57 0.703 1.530 6.792 1.00 0.00 C ATOM 896 O VAL A 57 1.542 2.420 6.661 1.00 0.00 O ATOM 897 CB VAL A 57 -1.286 1.181 5.234 1.00 0.00 C ATOM 898 CG1 VAL A 57 -1.680 2.484 5.933 1.00 0.00 C ATOM 899 CG2 VAL A 57 -1.488 1.286 3.721 1.00 0.00 C ATOM 0 H VAL A 57 -0.535 -1.041 6.315 1.00 0.00 H new ATOM 0 HA VAL A 57 0.764 1.085 4.715 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.940 0.392 5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.709 2.737 5.677 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.595 2.358 7.012 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.017 3.286 5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.521 1.563 3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.819 2.045 3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.268 0.324 3.257 1.00 0.00 H new ATOM 909 N ASP A 58 0.207 1.133 7.955 1.00 0.00 N ATOM 910 CA ASP A 58 0.637 1.744 9.201 1.00 0.00 C ATOM 911 C ASP A 58 2.166 1.782 9.245 1.00 0.00 C ATOM 912 O ASP A 58 2.755 2.793 9.626 1.00 0.00 O ATOM 913 CB ASP A 58 0.150 0.939 10.407 1.00 0.00 C ATOM 914 CG ASP A 58 -0.878 1.651 11.287 1.00 0.00 C ATOM 915 OD1 ASP A 58 -1.342 2.730 10.859 1.00 0.00 O ATOM 916 OD2 ASP A 58 -1.179 1.102 12.369 1.00 0.00 O ATOM 0 H ASP A 58 -0.489 0.395 8.060 1.00 0.00 H new ATOM 0 HA ASP A 58 0.217 2.749 9.245 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.284 0.005 10.050 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.011 0.676 11.021 1.00 0.00 H new ATOM 922 N PRO A 59 2.781 0.639 8.838 1.00 0.00 N ATOM 923 CA PRO A 59 4.231 0.532 8.828 1.00 0.00 C ATOM 924 C PRO A 59 4.829 1.313 7.655 1.00 0.00 C ATOM 925 O PRO A 59 5.658 2.199 7.853 1.00 0.00 O ATOM 926 CB PRO A 59 4.515 -0.959 8.756 1.00 0.00 C ATOM 927 CG PRO A 59 3.230 -1.605 8.262 1.00 0.00 C ATOM 928 CD PRO A 59 2.116 -0.577 8.381 1.00 0.00 C ATOM 0 HA PRO A 59 4.692 0.969 9.714 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.342 -1.167 8.077 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.798 -1.350 9.733 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.340 -1.931 7.228 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.997 -2.491 8.852 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.618 -0.420 7.424 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.353 -0.901 9.088 1.00 0.00 H new ATOM 936 N ILE A 60 4.385 0.953 6.459 1.00 0.00 N ATOM 937 CA ILE A 60 4.866 1.609 5.255 1.00 0.00 C ATOM 938 C ILE A 60 4.899 3.121 5.481 1.00 0.00 C ATOM 939 O ILE A 60 5.958 3.742 5.398 1.00 0.00 O ATOM 940 CB ILE A 60 4.031 1.186 4.045 1.00 0.00 C ATOM 941 CG1 ILE A 60 4.443 -0.203 3.552 1.00 0.00 C ATOM 942 CG2 ILE A 60 4.107 2.234 2.933 1.00 0.00 C ATOM 943 CD1 ILE A 60 3.585 -0.641 2.363 1.00 0.00 C ATOM 0 H ILE A 60 3.698 0.216 6.298 1.00 0.00 H new ATOM 0 HA ILE A 60 5.887 1.298 5.034 1.00 0.00 H new ATOM 0 HB ILE A 60 2.988 1.121 4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.494 -0.193 3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.343 -0.925 4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.505 1.909 2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.727 3.186 3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.143 2.355 2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.899 -1.631 2.033 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.538 -0.674 2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.706 0.070 1.545 1.00 0.00 H new ATOM 955 N ILE A 61 3.726 3.671 5.760 1.00 0.00 N ATOM 956 CA ILE A 61 3.608 5.100 5.998 1.00 0.00 C ATOM 957 C ILE A 61 4.532 5.498 7.151 1.00 0.00 C ATOM 958 O ILE A 61 4.925 6.659 7.263 1.00 0.00 O ATOM 959 CB ILE A 61 2.144 5.486 6.221 1.00 0.00 C ATOM 960 CG1 ILE A 61 1.249 4.893 5.131 1.00 0.00 C ATOM 961 CG2 ILE A 61 1.988 7.004 6.328 1.00 0.00 C ATOM 962 CD1 ILE A 61 0.061 5.811 4.838 1.00 0.00 C ATOM 0 H ILE A 61 2.850 3.153 5.827 1.00 0.00 H new ATOM 0 HA ILE A 61 3.932 5.661 5.121 1.00 0.00 H new ATOM 0 HB ILE A 61 1.819 5.061 7.171 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.830 4.742 4.221 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.888 3.914 5.445 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.938 7.252 6.486 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.578 7.372 7.167 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.336 7.471 5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.559 5.366 4.060 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.531 5.940 5.744 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.425 6.781 4.501 1.00 0.00 H new ATOM 974 N HIS A 62 4.850 4.515 7.979 1.00 0.00 N ATOM 975 CA HIS A 62 5.720 4.748 9.120 1.00 0.00 C ATOM 976 C HIS A 62 7.113 5.147 8.629 1.00 0.00 C ATOM 977 O HIS A 62 7.826 5.886 9.307 1.00 0.00 O ATOM 978 CB HIS A 62 5.744 3.530 10.044 1.00 0.00 C ATOM 979 CG HIS A 62 7.048 2.769 10.025 1.00 0.00 C ATOM 980 ND1 HIS A 62 7.849 2.400 8.984 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 7.660 2.300 11.174 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 8.895 1.743 9.471 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 8.778 1.679 10.828 1.00 0.00 N flip ATOM 0 H HIS A 62 4.521 3.554 7.883 1.00 0.00 H new ATOM 0 HA HIS A 62 5.331 5.574 9.715 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.541 3.857 11.064 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.937 2.855 9.759 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.289 2.420 12.181 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.704 1.328 8.889 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.436 1.231 11.466 1.00 0.00 H new ATOM 992 N GLU A 63 7.460 4.641 7.455 1.00 0.00 N ATOM 993 CA GLU A 63 8.754 4.936 6.866 1.00 0.00 C ATOM 994 C GLU A 63 8.698 6.253 6.090 1.00 0.00 C ATOM 995 O GLU A 63 9.582 7.098 6.228 1.00 0.00 O ATOM 996 CB GLU A 63 9.221 3.789 5.966 1.00 0.00 C ATOM 997 CG GLU A 63 10.406 3.050 6.590 1.00 0.00 C ATOM 998 CD GLU A 63 11.600 3.989 6.777 1.00 0.00 C ATOM 999 OE1 GLU A 63 11.353 5.209 6.880 1.00 0.00 O ATOM 1000 OE2 GLU A 63 12.735 3.463 6.813 1.00 0.00 O ATOM 0 H GLU A 63 6.867 4.028 6.896 1.00 0.00 H new ATOM 0 HA GLU A 63 9.481 5.043 7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.399 3.092 5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.506 4.181 4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.113 2.632 7.553 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.693 2.213 5.954 1.00 0.00 H new ATOM 1008 N LEU A 64 7.649 6.388 5.291 1.00 0.00 N ATOM 1009 CA LEU A 64 7.466 7.588 4.493 1.00 0.00 C ATOM 1010 C LEU A 64 7.475 8.812 5.412 1.00 0.00 C ATOM 1011 O LEU A 64 8.162 9.795 5.136 1.00 0.00 O ATOM 1012 CB LEU A 64 6.204 7.474 3.635 1.00 0.00 C ATOM 1013 CG LEU A 64 6.292 6.524 2.439 1.00 0.00 C ATOM 1014 CD1 LEU A 64 4.925 6.351 1.775 1.00 0.00 C ATOM 1015 CD2 LEU A 64 7.357 6.991 1.444 1.00 0.00 C ATOM 0 H LEU A 64 6.917 5.686 5.180 1.00 0.00 H new ATOM 0 HA LEU A 64 8.291 7.708 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.383 7.148 4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.947 8.467 3.267 1.00 0.00 H new ATOM 0 HG LEU A 64 6.600 5.544 2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.015 5.671 0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.219 5.940 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.565 7.319 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.399 6.298 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.104 7.987 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.328 7.021 1.938 1.00 0.00 H new ATOM 1027 N GLU A 65 6.705 8.712 6.486 1.00 0.00 N ATOM 1028 CA GLU A 65 6.616 9.799 7.446 1.00 0.00 C ATOM 1029 C GLU A 65 7.968 10.014 8.131 1.00 0.00 C ATOM 1030 O GLU A 65 8.353 11.149 8.410 1.00 0.00 O ATOM 1031 CB GLU A 65 5.516 9.532 8.476 1.00 0.00 C ATOM 1032 CG GLU A 65 5.968 8.492 9.503 1.00 0.00 C ATOM 1033 CD GLU A 65 6.814 9.139 10.602 1.00 0.00 C ATOM 1034 OE1 GLU A 65 6.337 10.147 11.166 1.00 0.00 O ATOM 1035 OE2 GLU A 65 7.919 8.611 10.853 1.00 0.00 O ATOM 0 H GLU A 65 6.137 7.895 6.712 1.00 0.00 H new ATOM 0 HA GLU A 65 6.353 10.711 6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.255 10.461 8.984 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.616 9.182 7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.096 8.010 9.946 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.545 7.712 9.006 1.00 0.00 H new ATOM 1043 N GLY A 66 8.650 8.907 8.382 1.00 0.00 N ATOM 1044 CA GLY A 66 9.950 8.960 9.029 1.00 0.00 C ATOM 1045 C GLY A 66 10.940 9.785 8.204 1.00 0.00 C ATOM 1046 O GLY A 66 11.686 10.596 8.751 1.00 0.00 O ATOM 0 H GLY A 66 8.327 7.968 8.149 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.848 9.395 10.023 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.336 7.949 9.162 1.00 0.00 H new ATOM 1050 N GLY A 67 10.915 9.550 6.900 1.00 0.00 N ATOM 1051 CA GLY A 67 11.801 10.261 5.995 1.00 0.00 C ATOM 1052 C GLY A 67 12.130 9.408 4.767 1.00 0.00 C ATOM 1053 O GLY A 67 12.579 9.929 3.748 1.00 0.00 O ATOM 0 H GLY A 67 10.295 8.877 6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.333 11.193 5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.721 10.526 6.515 1.00 0.00 H new ATOM 1057 N THR A 68 11.894 8.112 4.906 1.00 0.00 N ATOM 1058 CA THR A 68 12.158 7.182 3.822 1.00 0.00 C ATOM 1059 C THR A 68 11.322 7.543 2.593 1.00 0.00 C ATOM 1060 O THR A 68 10.313 8.237 2.706 1.00 0.00 O ATOM 1061 CB THR A 68 11.900 5.766 4.339 1.00 0.00 C ATOM 1062 OG1 THR A 68 12.992 5.512 5.217 1.00 0.00 O ATOM 1063 CG2 THR A 68 12.046 4.707 3.245 1.00 0.00 C ATOM 0 H THR A 68 11.522 7.684 5.754 1.00 0.00 H new ATOM 0 HA THR A 68 13.197 7.239 3.497 1.00 0.00 H new ATOM 0 HB THR A 68 10.898 5.712 4.764 1.00 0.00 H new ATOM 0 HG1 THR A 68 12.811 5.919 6.090 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.852 3.720 3.666 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.332 4.908 2.447 1.00 0.00 H new ATOM 0 HG23 THR A 68 13.058 4.737 2.842 1.00 0.00 H new ATOM 1071 N ALA A 69 11.772 7.055 1.447 1.00 0.00 N ATOM 1072 CA ALA A 69 11.078 7.318 0.197 1.00 0.00 C ATOM 1073 C ALA A 69 10.102 6.174 -0.088 1.00 0.00 C ATOM 1074 O ALA A 69 10.040 5.203 0.664 1.00 0.00 O ATOM 1075 CB ALA A 69 12.099 7.506 -0.925 1.00 0.00 C ATOM 0 H ALA A 69 12.609 6.479 1.357 1.00 0.00 H new ATOM 0 HA ALA A 69 10.498 8.238 0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.578 7.703 -1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.750 8.348 -0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.699 6.601 -1.027 1.00 0.00 H new ATOM 1081 N PRO A 70 9.344 6.331 -1.206 1.00 0.00 N ATOM 1082 CA PRO A 70 8.373 5.324 -1.601 1.00 0.00 C ATOM 1083 C PRO A 70 9.068 4.100 -2.202 1.00 0.00 C ATOM 1084 O PRO A 70 8.479 3.023 -2.277 1.00 0.00 O ATOM 1085 CB PRO A 70 7.453 6.028 -2.585 1.00 0.00 C ATOM 1086 CG PRO A 70 8.211 7.257 -3.058 1.00 0.00 C ATOM 1087 CD PRO A 70 9.389 7.469 -2.121 1.00 0.00 C ATOM 0 HA PRO A 70 7.805 4.933 -0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.205 5.376 -3.422 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.513 6.308 -2.109 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.558 7.120 -4.082 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.560 8.131 -3.056 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.331 7.499 -2.669 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.303 8.413 -1.583 1.00 0.00 H new ATOM 1095 N LYS A 71 10.310 4.307 -2.614 1.00 0.00 N ATOM 1096 CA LYS A 71 11.090 3.234 -3.206 1.00 0.00 C ATOM 1097 C LYS A 71 12.176 2.796 -2.221 1.00 0.00 C ATOM 1098 O LYS A 71 13.333 2.629 -2.601 1.00 0.00 O ATOM 1099 CB LYS A 71 11.635 3.659 -4.571 1.00 0.00 C ATOM 1100 CG LYS A 71 10.496 3.901 -5.565 1.00 0.00 C ATOM 1101 CD LYS A 71 10.034 5.359 -5.524 1.00 0.00 C ATOM 1102 CE LYS A 71 11.120 6.293 -6.058 1.00 0.00 C ATOM 1103 NZ LYS A 71 10.769 6.778 -7.411 1.00 0.00 N ATOM 0 H LYS A 71 10.795 5.202 -2.549 1.00 0.00 H new ATOM 0 HA LYS A 71 10.460 2.365 -3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.228 4.567 -4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.301 2.888 -4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.828 3.649 -6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.659 3.244 -5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.127 5.474 -6.117 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.782 5.636 -4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.244 7.140 -5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.075 5.769 -6.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.518 7.411 -7.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.674 5.968 -8.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.868 7.296 -7.371 1.00 0.00 H new ATOM 1117 N ASP A 72 11.762 2.620 -0.974 1.00 0.00 N ATOM 1118 CA ASP A 72 12.684 2.204 0.068 1.00 0.00 C ATOM 1119 C ASP A 72 11.891 1.661 1.258 1.00 0.00 C ATOM 1120 O ASP A 72 12.296 0.684 1.885 1.00 0.00 O ATOM 1121 CB ASP A 72 13.528 3.382 0.560 1.00 0.00 C ATOM 1122 CG ASP A 72 14.897 3.521 -0.109 1.00 0.00 C ATOM 1123 OD1 ASP A 72 15.426 2.475 -0.543 1.00 0.00 O ATOM 1124 OD2 ASP A 72 15.384 4.671 -0.173 1.00 0.00 O ATOM 0 H ASP A 72 10.801 2.758 -0.663 1.00 0.00 H new ATOM 0 HA ASP A 72 13.340 1.440 -0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.967 4.303 0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.675 3.280 1.635 1.00 0.00 H new ATOM 1130 N VAL A 73 10.774 2.319 1.533 1.00 0.00 N ATOM 1131 CA VAL A 73 9.920 1.916 2.637 1.00 0.00 C ATOM 1132 C VAL A 73 9.827 0.388 2.672 1.00 0.00 C ATOM 1133 O VAL A 73 10.649 -0.273 3.306 1.00 0.00 O ATOM 1134 CB VAL A 73 8.555 2.594 2.518 1.00 0.00 C ATOM 1135 CG1 VAL A 73 7.539 1.955 3.466 1.00 0.00 C ATOM 1136 CG2 VAL A 73 8.667 4.099 2.771 1.00 0.00 C ATOM 0 H VAL A 73 10.441 3.129 1.010 1.00 0.00 H new ATOM 0 HA VAL A 73 10.346 2.239 3.587 1.00 0.00 H new ATOM 0 HB VAL A 73 8.198 2.450 1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.577 2.457 3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.426 0.899 3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.889 2.053 4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.682 4.557 2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.057 4.271 3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.342 4.542 2.039 1.00 0.00 H new ATOM 1146 N CYS A 74 8.820 -0.127 1.983 1.00 0.00 N ATOM 1147 CA CYS A 74 8.609 -1.564 1.927 1.00 0.00 C ATOM 1148 C CYS A 74 9.975 -2.247 1.848 1.00 0.00 C ATOM 1149 O CYS A 74 10.298 -3.096 2.677 1.00 0.00 O ATOM 1150 CB CYS A 74 7.705 -1.957 0.757 1.00 0.00 C ATOM 1151 SG CYS A 74 7.754 -0.813 -0.670 1.00 0.00 S ATOM 0 H CYS A 74 8.141 0.425 1.459 1.00 0.00 H new ATOM 0 HA CYS A 74 8.091 -1.894 2.827 1.00 0.00 H new ATOM 0 HB2 CYS A 74 7.988 -2.953 0.416 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.678 -2.023 1.116 1.00 0.00 H new ATOM 1156 N THR A 75 10.742 -1.852 0.842 1.00 0.00 N ATOM 1157 CA THR A 75 12.066 -2.416 0.644 1.00 0.00 C ATOM 1158 C THR A 75 12.727 -2.712 1.990 1.00 0.00 C ATOM 1159 O THR A 75 12.673 -3.841 2.477 1.00 0.00 O ATOM 1160 CB THR A 75 12.868 -1.445 -0.226 1.00 0.00 C ATOM 1161 OG1 THR A 75 12.221 -1.499 -1.495 1.00 0.00 O ATOM 1162 CG2 THR A 75 14.285 -1.946 -0.508 1.00 0.00 C ATOM 0 H THR A 75 10.471 -1.148 0.155 1.00 0.00 H new ATOM 0 HA THR A 75 12.014 -3.374 0.126 1.00 0.00 H new ATOM 0 HB THR A 75 12.918 -0.474 0.266 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.676 -0.897 -2.120 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.811 -1.220 -1.129 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.820 -2.073 0.433 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.236 -2.902 -1.030 1.00 0.00 H new ATOM 1170 N LYS A 76 13.334 -1.680 2.557 1.00 0.00 N ATOM 1171 CA LYS A 76 14.004 -1.816 3.838 1.00 0.00 C ATOM 1172 C LYS A 76 13.048 -2.462 4.843 1.00 0.00 C ATOM 1173 O LYS A 76 13.482 -3.011 5.855 1.00 0.00 O ATOM 1174 CB LYS A 76 14.560 -0.467 4.298 1.00 0.00 C ATOM 1175 CG LYS A 76 13.429 0.488 4.688 1.00 0.00 C ATOM 1176 CD LYS A 76 13.872 1.946 4.553 1.00 0.00 C ATOM 1177 CE LYS A 76 15.084 2.235 5.440 1.00 0.00 C ATOM 1178 NZ LYS A 76 16.004 3.183 4.771 1.00 0.00 N ATOM 0 H LYS A 76 13.376 -0.745 2.152 1.00 0.00 H new ATOM 0 HA LYS A 76 14.867 -2.476 3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.226 -0.615 5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.156 -0.024 3.500 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.561 0.308 4.054 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.120 0.292 5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.119 2.160 3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.050 2.607 4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.754 2.650 6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.609 1.306 5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.821 3.368 5.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.333 2.773 3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.505 4.075 4.581 1.00 0.00 H new ATOM 1192 N LEU A 77 11.763 -2.375 4.529 1.00 0.00 N ATOM 1193 CA LEU A 77 10.742 -2.944 5.392 1.00 0.00 C ATOM 1194 C LEU A 77 10.542 -4.419 5.034 1.00 0.00 C ATOM 1195 O LEU A 77 9.537 -5.020 5.407 1.00 0.00 O ATOM 1196 CB LEU A 77 9.459 -2.115 5.322 1.00 0.00 C ATOM 1197 CG LEU A 77 9.252 -1.102 6.450 1.00 0.00 C ATOM 1198 CD1 LEU A 77 8.929 -1.808 7.768 1.00 0.00 C ATOM 1199 CD2 LEU A 77 10.460 -0.171 6.578 1.00 0.00 C ATOM 0 H LEU A 77 11.406 -1.919 3.689 1.00 0.00 H new ATOM 0 HA LEU A 77 11.060 -2.909 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.448 -1.579 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.609 -2.797 5.313 1.00 0.00 H new ATOM 0 HG LEU A 77 8.392 -0.481 6.199 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.787 -1.065 8.553 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.017 -2.394 7.653 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.753 -2.468 8.038 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.288 0.539 7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.351 -0.759 6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.602 0.371 5.643 1.00 0.00 H new ATOM 1211 N ASN A 78 11.515 -4.957 4.314 1.00 0.00 N ATOM 1212 CA ASN A 78 11.458 -6.349 3.902 1.00 0.00 C ATOM 1213 C ASN A 78 10.092 -6.636 3.275 1.00 0.00 C ATOM 1214 O ASN A 78 9.701 -7.793 3.134 1.00 0.00 O ATOM 1215 CB ASN A 78 11.635 -7.286 5.099 1.00 0.00 C ATOM 1216 CG ASN A 78 10.387 -7.288 5.982 1.00 0.00 C ATOM 1217 OD1 ASN A 78 10.307 -6.609 6.992 1.00 0.00 O ATOM 1218 ND2 ASN A 78 9.418 -8.089 5.547 1.00 0.00 N ATOM 0 H ASN A 78 12.347 -4.454 4.005 1.00 0.00 H new ATOM 0 HA ASN A 78 12.262 -6.522 3.187 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.837 -8.298 4.747 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.499 -6.974 5.685 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.544 -8.161 6.068 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.549 -8.631 4.693 1.00 0.00 H new ATOM 1225 N GLU A 79 9.405 -5.561 2.917 1.00 0.00 N ATOM 1226 CA GLU A 79 8.090 -5.683 2.309 1.00 0.00 C ATOM 1227 C GLU A 79 8.210 -5.702 0.784 1.00 0.00 C ATOM 1228 O GLU A 79 7.362 -6.269 0.097 1.00 0.00 O ATOM 1229 CB GLU A 79 7.166 -4.556 2.772 1.00 0.00 C ATOM 1230 CG GLU A 79 5.803 -5.105 3.200 1.00 0.00 C ATOM 1231 CD GLU A 79 4.967 -5.507 1.985 1.00 0.00 C ATOM 1232 OE1 GLU A 79 5.115 -4.830 0.944 1.00 0.00 O ATOM 1233 OE2 GLU A 79 4.199 -6.483 2.121 1.00 0.00 O ATOM 0 H GLU A 79 9.733 -4.603 3.036 1.00 0.00 H new ATOM 0 HA GLU A 79 7.648 -6.626 2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.625 -4.023 3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.034 -3.834 1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.943 -5.968 3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.269 -4.352 3.780 1.00 0.00 H new ATOM 1241 N CYS A 80 9.271 -5.074 0.298 1.00 0.00 N ATOM 1242 CA CYS A 80 9.514 -5.012 -1.134 1.00 0.00 C ATOM 1243 C CYS A 80 10.870 -5.659 -1.420 1.00 0.00 C ATOM 1244 O CYS A 80 11.858 -5.363 -0.750 1.00 0.00 O ATOM 1245 CB CYS A 80 9.446 -3.575 -1.656 1.00 0.00 C ATOM 1246 SG CYS A 80 7.892 -3.147 -2.522 1.00 0.00 S ATOM 0 H CYS A 80 9.972 -4.604 0.870 1.00 0.00 H new ATOM 0 HA CYS A 80 8.733 -5.559 -1.662 1.00 0.00 H new ATOM 0 HB2 CYS A 80 9.578 -2.892 -0.817 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.282 -3.410 -2.336 1.00 0.00 H new ATOM 1251 N PRO A 81 10.874 -6.556 -2.442 1.00 0.00 N ATOM 1252 CA PRO A 81 9.660 -6.850 -3.185 1.00 0.00 C ATOM 1253 C PRO A 81 8.717 -7.735 -2.367 1.00 0.00 C ATOM 1254 O PRO A 81 9.159 -8.677 -1.710 1.00 0.00 O ATOM 1255 CB PRO A 81 10.133 -7.514 -4.467 1.00 0.00 C ATOM 1256 CG PRO A 81 11.552 -7.987 -4.192 1.00 0.00 C ATOM 1257 CD PRO A 81 12.029 -7.311 -2.917 1.00 0.00 C ATOM 0 HA PRO A 81 9.077 -5.956 -3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.487 -8.350 -4.735 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.110 -6.813 -5.302 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.579 -9.071 -4.082 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.207 -7.735 -5.026 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.354 -8.044 -2.178 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.878 -6.655 -3.110 1.00 0.00 H new TER 1265 PRO A 81