USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 569 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 67 CYS SG : rot -125:sc= -10.3! USER MOD Set 1.2: A 72 MET CE :methyl -178:sc= -2.1 (180deg=-1.07) USER MOD Set 2.1: A 53 LYS NZ :NH3+ 154:sc= -0.174 (180deg=-1.41!) USER MOD Set 2.2: A 58 SER OG : rot -150:sc= 0 USER MOD Set 3.1: A 34 SER OG : rot 92:sc= 1.31 USER MOD Set 3.2: A 41 TYR OH : rot -135:sc= -1.48! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= -0.0672 (180deg=-0.438) USER MOD Single : A 2 LYS NZ :NH3+ -134:sc= -2.1 (180deg=-4.72!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 120:sc= -0.595 USER MOD Single : A 11 ASN :FLIP amide:sc= -3.03! C(o=-4.1!,f=-3!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 150:sc= -0.355 USER MOD Single : A 17 TYR OH : rot 0:sc= -0.285 USER MOD Single : A 18 HIS : no HD1:sc= -4.25! C(o=-4.3!,f=-5.8!) USER MOD Single : A 19 TYR OH : rot -167:sc= -6.62! USER MOD Single : A 23 SER OG : rot -49:sc= -1.33! USER MOD Single : A 28 LYS NZ :NH3+ -145:sc= -0.196 (180deg=-1.11) USER MOD Single : A 32 LYS NZ :NH3+ -161:sc= -1.21 (180deg=-1.83) USER MOD Single : A 36 GLN : amide:sc= -0.0903 K(o=-0.09,f=-1.3!) USER MOD Single : A 38 HIS : no HD1:sc= -1.6! C(o=-1.6!,f=-5.5!) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.717 F(o=-4.6!,f=-0.72) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 67:sc= 0.263 USER MOD Single : A 47 ASN : amide:sc= -5.88! C(o=-5.9!,f=-7.5!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -1.04 K(o=-1,f=-2.6!) USER MOD Single : A 57 LYS NZ :NH3+ -153:sc= -0.146 (180deg=-0.647) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.914 F(o=-1.5,f=-0.91) USER MOD Single : A 66 LYS NZ :NH3+ -172:sc= 0.167 (180deg=0.108!) USER MOD Single : A 68 TYR OH : rot -50:sc= -3.72! USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 155:sc= -0.0604 (180deg=-0.434) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.347 -20.266 -23.885 1.00 0.00 N ATOM 2 CA MET A 1 -7.236 -19.847 -23.000 1.00 0.00 C ATOM 3 C MET A 1 -7.784 -19.102 -21.790 1.00 0.00 C ATOM 4 O MET A 1 -8.043 -17.918 -21.854 1.00 0.00 O ATOM 5 CB MET A 1 -6.284 -18.909 -23.761 1.00 0.00 C ATOM 6 CG MET A 1 -5.494 -19.721 -24.790 1.00 0.00 C ATOM 7 SD MET A 1 -4.483 -18.801 -25.976 1.00 0.00 S ATOM 8 CE MET A 1 -3.062 -18.516 -24.891 1.00 0.00 C ATOM 0 H1 MET A 1 -8.042 -21.072 -24.467 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.165 -20.547 -23.307 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.616 -19.474 -24.503 1.00 0.00 H new ATOM 0 HA MET A 1 -6.700 -20.738 -22.675 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.850 -18.122 -24.258 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.602 -18.420 -23.065 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.840 -20.405 -24.249 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.201 -20.332 -25.352 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.300 -17.953 -25.430 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.380 -17.950 -24.016 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.649 -19.473 -24.574 1.00 0.00 H new ATOM 20 N LYS A 2 -7.954 -19.812 -20.707 1.00 0.00 N ATOM 21 CA LYS A 2 -8.483 -19.157 -19.486 1.00 0.00 C ATOM 22 C LYS A 2 -7.593 -17.992 -19.076 1.00 0.00 C ATOM 23 O LYS A 2 -6.447 -17.918 -19.474 1.00 0.00 O ATOM 24 CB LYS A 2 -8.500 -20.192 -18.350 1.00 0.00 C ATOM 25 CG LYS A 2 -9.061 -19.541 -17.081 1.00 0.00 C ATOM 26 CD LYS A 2 -9.443 -20.634 -16.073 1.00 0.00 C ATOM 27 CE LYS A 2 -8.180 -21.380 -15.618 1.00 0.00 C ATOM 28 NZ LYS A 2 -7.769 -22.386 -16.637 1.00 0.00 N ATOM 0 H LYS A 2 -7.750 -20.808 -20.619 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.486 -18.780 -19.686 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.110 -21.050 -18.633 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.492 -20.564 -18.167 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -8.320 -18.871 -16.645 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.934 -18.935 -17.325 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.945 -20.190 -15.213 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.146 -21.332 -16.527 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -7.370 -20.669 -15.454 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.367 -21.875 -14.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.547 -23.286 -16.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -8.545 -22.532 -17.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -6.928 -22.043 -17.144 1.00 0.00 H new ATOM 42 N GLU A 3 -8.132 -17.097 -18.285 1.00 0.00 N ATOM 43 CA GLU A 3 -7.319 -15.929 -17.842 1.00 0.00 C ATOM 44 C GLU A 3 -7.822 -15.378 -16.512 1.00 0.00 C ATOM 45 O GLU A 3 -8.453 -14.341 -16.466 1.00 0.00 O ATOM 46 CB GLU A 3 -7.437 -14.822 -18.906 1.00 0.00 C ATOM 47 CG GLU A 3 -6.714 -15.263 -20.185 1.00 0.00 C ATOM 48 CD GLU A 3 -6.482 -14.046 -21.082 1.00 0.00 C ATOM 49 OE1 GLU A 3 -5.729 -13.189 -20.648 1.00 0.00 O ATOM 50 OE2 GLU A 3 -7.071 -14.040 -22.150 1.00 0.00 O ATOM 0 H GLU A 3 -9.089 -17.126 -17.932 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.285 -16.251 -17.716 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -8.486 -14.619 -19.120 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.003 -13.895 -18.531 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.762 -15.731 -19.935 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.308 -16.010 -20.713 1.00 0.00 H new ATOM 57 N THR A 4 -7.536 -16.085 -15.453 1.00 0.00 N ATOM 58 CA THR A 4 -7.988 -15.618 -14.117 1.00 0.00 C ATOM 59 C THR A 4 -7.557 -14.165 -13.898 1.00 0.00 C ATOM 60 O THR A 4 -6.560 -13.731 -14.436 1.00 0.00 O ATOM 61 CB THR A 4 -7.319 -16.525 -13.054 1.00 0.00 C ATOM 62 OG1 THR A 4 -8.009 -17.755 -13.135 1.00 0.00 O ATOM 63 CG2 THR A 4 -7.590 -16.033 -11.616 1.00 0.00 C ATOM 0 H THR A 4 -7.012 -16.960 -15.457 1.00 0.00 H new ATOM 0 HA THR A 4 -9.074 -15.670 -14.042 1.00 0.00 H new ATOM 0 HB THR A 4 -6.245 -16.558 -13.238 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.633 -18.384 -12.484 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.102 -16.700 -10.905 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.196 -15.024 -11.497 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.664 -16.028 -11.430 1.00 0.00 H new ATOM 71 N ARG A 5 -8.326 -13.431 -13.118 1.00 0.00 N ATOM 72 CA ARG A 5 -7.967 -11.995 -12.855 1.00 0.00 C ATOM 73 C ARG A 5 -7.249 -11.883 -11.524 1.00 0.00 C ATOM 74 O ARG A 5 -7.224 -12.819 -10.752 1.00 0.00 O ATOM 75 CB ARG A 5 -9.262 -11.126 -12.832 1.00 0.00 C ATOM 76 CG ARG A 5 -10.331 -11.727 -13.804 1.00 0.00 C ATOM 77 CD ARG A 5 -11.293 -12.666 -13.044 1.00 0.00 C ATOM 78 NE ARG A 5 -12.460 -12.967 -13.920 1.00 0.00 N ATOM 79 CZ ARG A 5 -12.259 -13.519 -15.086 1.00 0.00 C ATOM 80 NH1 ARG A 5 -11.642 -14.668 -15.140 1.00 0.00 N ATOM 81 NH2 ARG A 5 -12.683 -12.906 -16.156 1.00 0.00 N ATOM 0 H ARG A 5 -9.175 -13.760 -12.658 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.309 -11.637 -13.647 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.663 -11.084 -11.819 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.028 -10.103 -13.125 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.896 -10.922 -14.274 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.835 -12.277 -14.604 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.781 -13.588 -12.767 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.627 -12.196 -12.119 1.00 0.00 H new ATOM 0 HE ARG A 5 -13.406 -12.744 -13.612 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.327 -15.118 -14.281 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -11.475 -15.116 -16.041 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.163 -12.010 -16.074 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.535 -13.323 -17.075 1.00 0.00 H new ATOM 95 N TYR A 6 -6.682 -10.740 -11.265 1.00 0.00 N ATOM 96 CA TYR A 6 -5.950 -10.565 -9.971 1.00 0.00 C ATOM 97 C TYR A 6 -5.863 -9.100 -9.572 1.00 0.00 C ATOM 98 O TYR A 6 -6.387 -8.241 -10.255 1.00 0.00 O ATOM 99 CB TYR A 6 -4.497 -11.100 -10.179 1.00 0.00 C ATOM 100 CG TYR A 6 -4.496 -12.251 -11.181 1.00 0.00 C ATOM 101 CD1 TYR A 6 -4.691 -13.544 -10.754 1.00 0.00 C ATOM 102 CD2 TYR A 6 -4.286 -12.013 -12.524 1.00 0.00 C ATOM 103 CE1 TYR A 6 -4.670 -14.583 -11.646 1.00 0.00 C ATOM 104 CE2 TYR A 6 -4.262 -13.055 -13.422 1.00 0.00 C ATOM 105 CZ TYR A 6 -4.453 -14.350 -12.992 1.00 0.00 C ATOM 106 OH TYR A 6 -4.416 -15.396 -13.889 1.00 0.00 O ATOM 0 H TYR A 6 -6.690 -9.927 -11.880 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.482 -11.103 -9.186 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.854 -10.296 -10.537 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.086 -11.437 -9.227 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.862 -13.742 -9.706 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.139 -11.001 -12.873 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.824 -15.593 -11.295 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.092 -12.857 -14.470 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.123 -15.279 -14.558 1.00 0.00 H new ATOM 116 N CYS A 7 -5.199 -8.827 -8.444 1.00 0.00 N ATOM 117 CA CYS A 7 -5.072 -7.409 -8.000 1.00 0.00 C ATOM 118 C CYS A 7 -4.666 -6.607 -9.190 1.00 0.00 C ATOM 119 O CYS A 7 -3.721 -6.962 -9.864 1.00 0.00 O ATOM 120 CB CYS A 7 -3.965 -7.310 -6.920 1.00 0.00 C ATOM 121 SG CYS A 7 -3.224 -5.717 -6.591 1.00 0.00 S ATOM 0 H CYS A 7 -4.757 -9.519 -7.839 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.012 -7.045 -7.584 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.383 -7.679 -5.984 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.165 -7.994 -7.203 1.00 0.00 H new ATOM 126 N ALA A 8 -5.380 -5.563 -9.455 1.00 0.00 N ATOM 127 CA ALA A 8 -5.033 -4.733 -10.624 1.00 0.00 C ATOM 128 C ALA A 8 -3.520 -4.647 -10.838 1.00 0.00 C ATOM 129 O ALA A 8 -3.066 -4.739 -11.956 1.00 0.00 O ATOM 130 CB ALA A 8 -5.606 -3.305 -10.410 1.00 0.00 C ATOM 0 H ALA A 8 -6.186 -5.249 -8.915 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.465 -5.196 -11.511 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.356 -2.680 -11.268 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.689 -3.360 -10.304 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.175 -2.871 -9.508 1.00 0.00 H new ATOM 136 N VAL A 9 -2.756 -4.561 -9.759 1.00 0.00 N ATOM 137 CA VAL A 9 -1.275 -4.465 -9.956 1.00 0.00 C ATOM 138 C VAL A 9 -0.433 -4.663 -8.678 1.00 0.00 C ATOM 139 O VAL A 9 0.710 -5.067 -8.761 1.00 0.00 O ATOM 140 CB VAL A 9 -1.026 -2.975 -10.373 1.00 0.00 C ATOM 141 CG1 VAL A 9 0.457 -2.577 -10.122 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.391 -2.740 -11.865 1.00 0.00 C ATOM 0 H VAL A 9 -3.084 -4.554 -8.793 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.984 -5.240 -10.665 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.671 -2.348 -9.758 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.610 -1.539 -10.418 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.690 -2.691 -9.063 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.111 -3.222 -10.709 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.208 -1.697 -12.125 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.778 -3.384 -12.495 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.444 -2.973 -12.023 1.00 0.00 H new ATOM 152 N CYS A 10 -0.999 -4.383 -7.542 1.00 0.00 N ATOM 153 CA CYS A 10 -0.188 -4.541 -6.250 1.00 0.00 C ATOM 154 C CYS A 10 -0.294 -5.872 -5.442 1.00 0.00 C ATOM 155 O CYS A 10 0.031 -5.865 -4.273 1.00 0.00 O ATOM 156 CB CYS A 10 -0.520 -3.312 -5.317 1.00 0.00 C ATOM 157 SG CYS A 10 -2.258 -2.772 -5.136 1.00 0.00 S ATOM 0 H CYS A 10 -1.959 -4.059 -7.425 1.00 0.00 H new ATOM 0 HA CYS A 10 0.846 -4.578 -6.591 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.144 -3.545 -4.321 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.052 -2.459 -5.682 1.00 0.00 H new ATOM 162 N ASN A 11 -0.729 -6.982 -6.016 1.00 0.00 N ATOM 163 CA ASN A 11 -0.780 -8.206 -5.163 1.00 0.00 C ATOM 164 C ASN A 11 -1.053 -9.474 -5.973 1.00 0.00 C ATOM 165 O ASN A 11 -0.146 -10.031 -6.558 1.00 0.00 O ATOM 166 CB ASN A 11 -1.842 -8.011 -4.051 1.00 0.00 C ATOM 167 CG ASN A 11 -2.281 -9.361 -3.454 1.00 0.00 C ATOM 168 OD1 ASN A 11 -1.415 -10.333 -3.387 1.00 0.00 O flip ATOM 169 ND2 ASN A 11 -3.414 -9.535 -3.049 1.00 0.00 N flip ATOM 0 H ASN A 11 -1.033 -7.085 -6.984 1.00 0.00 H new ATOM 0 HA ASN A 11 0.201 -8.344 -4.709 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.435 -7.378 -3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.709 -7.493 -4.460 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.095 -8.778 -3.099 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.683 -10.438 -2.659 1.00 0.00 H new ATOM 176 N ASP A 12 -2.285 -9.883 -6.023 1.00 0.00 N ATOM 177 CA ASP A 12 -2.614 -11.119 -6.790 1.00 0.00 C ATOM 178 C ASP A 12 -4.106 -11.405 -6.745 1.00 0.00 C ATOM 179 O ASP A 12 -4.898 -10.520 -6.501 1.00 0.00 O ATOM 180 CB ASP A 12 -1.872 -12.334 -6.152 1.00 0.00 C ATOM 181 CG ASP A 12 -1.690 -13.431 -7.208 1.00 0.00 C ATOM 182 OD1 ASP A 12 -2.316 -13.294 -8.245 1.00 0.00 O ATOM 183 OD2 ASP A 12 -0.934 -14.342 -6.915 1.00 0.00 O ATOM 0 H ASP A 12 -3.075 -9.423 -5.572 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.304 -10.969 -7.824 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.902 -12.020 -5.767 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.442 -12.719 -5.306 1.00 0.00 H new ATOM 188 N TYR A 13 -4.450 -12.672 -6.969 1.00 0.00 N ATOM 189 CA TYR A 13 -5.889 -13.087 -6.956 1.00 0.00 C ATOM 190 C TYR A 13 -6.744 -12.200 -6.076 1.00 0.00 C ATOM 191 O TYR A 13 -6.776 -12.344 -4.870 1.00 0.00 O ATOM 192 CB TYR A 13 -6.011 -14.501 -6.426 1.00 0.00 C ATOM 193 CG TYR A 13 -5.096 -15.459 -7.211 1.00 0.00 C ATOM 194 CD1 TYR A 13 -5.510 -16.023 -8.414 1.00 0.00 C ATOM 195 CD2 TYR A 13 -3.873 -15.834 -6.690 1.00 0.00 C ATOM 196 CE1 TYR A 13 -4.719 -16.947 -9.061 1.00 0.00 C ATOM 197 CE2 TYR A 13 -3.082 -16.755 -7.344 1.00 0.00 C ATOM 198 CZ TYR A 13 -3.498 -17.318 -8.533 1.00 0.00 C ATOM 199 OH TYR A 13 -2.704 -18.238 -9.186 1.00 0.00 O ATOM 0 H TYR A 13 -3.788 -13.425 -7.158 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.241 -13.009 -7.985 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.746 -14.522 -5.369 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.046 -14.835 -6.502 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.458 -15.734 -8.843 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.533 -15.401 -5.761 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.057 -17.385 -9.989 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.129 -17.038 -6.922 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.880 -18.381 -8.674 1.00 0.00 H new ATOM 209 N ALA A 14 -7.412 -11.305 -6.701 1.00 0.00 N ATOM 210 CA ALA A 14 -8.279 -10.380 -5.953 1.00 0.00 C ATOM 211 C ALA A 14 -9.368 -11.157 -5.231 1.00 0.00 C ATOM 212 O ALA A 14 -9.932 -12.089 -5.769 1.00 0.00 O ATOM 213 CB ALA A 14 -8.914 -9.392 -6.955 1.00 0.00 C ATOM 0 H ALA A 14 -7.399 -11.167 -7.712 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.693 -9.837 -5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.561 -8.697 -6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.128 -8.836 -7.466 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.502 -9.945 -7.688 1.00 0.00 H new ATOM 219 N SER A 15 -9.643 -10.761 -4.024 1.00 0.00 N ATOM 220 CA SER A 15 -10.693 -11.468 -3.247 1.00 0.00 C ATOM 221 C SER A 15 -12.086 -11.065 -3.698 1.00 0.00 C ATOM 222 O SER A 15 -13.069 -11.594 -3.217 1.00 0.00 O ATOM 223 CB SER A 15 -10.532 -11.099 -1.766 1.00 0.00 C ATOM 224 OG SER A 15 -10.712 -9.691 -1.735 1.00 0.00 O ATOM 0 H SER A 15 -9.190 -9.984 -3.544 1.00 0.00 H new ATOM 0 HA SER A 15 -10.578 -12.540 -3.405 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.270 -11.608 -1.146 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.549 -11.383 -1.390 1.00 0.00 H new ATOM 0 HG SER A 15 -11.096 -9.429 -0.872 1.00 0.00 H new ATOM 230 N GLY A 16 -12.159 -10.137 -4.616 1.00 0.00 N ATOM 231 CA GLY A 16 -13.507 -9.702 -5.097 1.00 0.00 C ATOM 232 C GLY A 16 -13.455 -8.292 -5.689 1.00 0.00 C ATOM 233 O GLY A 16 -12.523 -7.548 -5.462 1.00 0.00 O ATOM 0 H GLY A 16 -11.362 -9.669 -5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.871 -10.402 -5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.216 -9.726 -4.270 1.00 0.00 H new ATOM 237 N TYR A 17 -14.468 -7.964 -6.443 1.00 0.00 N ATOM 238 CA TYR A 17 -14.531 -6.617 -7.073 1.00 0.00 C ATOM 239 C TYR A 17 -15.125 -5.608 -6.070 1.00 0.00 C ATOM 240 O TYR A 17 -16.241 -5.774 -5.621 1.00 0.00 O ATOM 241 CB TYR A 17 -15.470 -6.734 -8.327 1.00 0.00 C ATOM 242 CG TYR A 17 -14.786 -6.177 -9.590 1.00 0.00 C ATOM 243 CD1 TYR A 17 -14.761 -4.819 -9.832 1.00 0.00 C ATOM 244 CD2 TYR A 17 -14.265 -7.030 -10.548 1.00 0.00 C ATOM 245 CE1 TYR A 17 -14.236 -4.329 -11.012 1.00 0.00 C ATOM 246 CE2 TYR A 17 -13.750 -6.530 -11.722 1.00 0.00 C ATOM 247 CZ TYR A 17 -13.731 -5.182 -11.960 1.00 0.00 C ATOM 248 OH TYR A 17 -13.209 -4.688 -13.139 1.00 0.00 O ATOM 0 H TYR A 17 -15.258 -8.575 -6.650 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.538 -6.274 -7.364 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.739 -7.778 -8.487 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.397 -6.191 -8.143 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.154 -4.135 -9.095 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -14.263 -8.096 -10.373 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.223 -3.264 -11.190 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -13.356 -7.209 -12.464 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.276 -3.710 -13.142 1.00 0.00 H new ATOM 258 N HIS A 18 -14.363 -4.580 -5.740 1.00 0.00 N ATOM 259 CA HIS A 18 -14.872 -3.548 -4.763 1.00 0.00 C ATOM 260 C HIS A 18 -14.760 -2.143 -5.359 1.00 0.00 C ATOM 261 O HIS A 18 -15.747 -1.542 -5.734 1.00 0.00 O ATOM 262 CB HIS A 18 -14.012 -3.625 -3.466 1.00 0.00 C ATOM 263 CG HIS A 18 -13.575 -5.069 -3.225 1.00 0.00 C ATOM 264 ND1 HIS A 18 -12.388 -5.468 -3.243 1.00 0.00 N ATOM 265 CD2 HIS A 18 -14.334 -6.185 -2.934 1.00 0.00 C ATOM 266 CE1 HIS A 18 -12.313 -6.708 -2.990 1.00 0.00 C ATOM 267 NE2 HIS A 18 -13.510 -7.258 -2.779 1.00 0.00 N ATOM 0 H HIS A 18 -13.423 -4.412 -6.099 1.00 0.00 H new ATOM 0 HA HIS A 18 -15.920 -3.749 -4.541 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.138 -2.981 -3.559 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -14.587 -3.262 -2.614 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -15.410 -6.204 -2.844 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.384 -7.258 -2.950 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -13.746 -8.226 -2.560 1.00 0.00 H new ATOM 275 N TYR A 19 -13.559 -1.654 -5.430 1.00 0.00 N ATOM 276 CA TYR A 19 -13.345 -0.304 -5.991 1.00 0.00 C ATOM 277 C TYR A 19 -14.002 -0.217 -7.370 1.00 0.00 C ATOM 278 O TYR A 19 -15.128 0.216 -7.518 1.00 0.00 O ATOM 279 CB TYR A 19 -11.815 -0.130 -6.170 1.00 0.00 C ATOM 280 CG TYR A 19 -11.194 0.469 -4.901 1.00 0.00 C ATOM 281 CD1 TYR A 19 -11.426 1.769 -4.584 1.00 0.00 C ATOM 282 CD2 TYR A 19 -10.576 -0.347 -3.978 1.00 0.00 C ATOM 283 CE1 TYR A 19 -11.094 2.259 -3.324 1.00 0.00 C ATOM 284 CE2 TYR A 19 -10.242 0.132 -2.731 1.00 0.00 C ATOM 285 CZ TYR A 19 -10.497 1.434 -2.392 1.00 0.00 C ATOM 286 OH TYR A 19 -10.145 1.910 -1.157 1.00 0.00 O ATOM 0 H TYR A 19 -12.714 -2.136 -5.121 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.768 0.459 -5.338 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.356 -1.094 -6.387 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.613 0.519 -7.023 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.871 2.428 -5.315 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.352 -1.372 -4.235 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.304 3.289 -3.075 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.774 -0.526 -2.013 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.559 1.263 -0.712 1.00 0.00 H new ATOM 296 N GLY A 20 -13.253 -0.641 -8.341 1.00 0.00 N ATOM 297 CA GLY A 20 -13.731 -0.630 -9.740 1.00 0.00 C ATOM 298 C GLY A 20 -12.751 -1.406 -10.569 1.00 0.00 C ATOM 299 O GLY A 20 -12.435 -1.047 -11.683 1.00 0.00 O ATOM 0 H GLY A 20 -12.307 -1.003 -8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.724 -1.075 -9.807 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.815 0.393 -10.106 1.00 0.00 H new ATOM 303 N VAL A 21 -12.307 -2.490 -9.994 1.00 0.00 N ATOM 304 CA VAL A 21 -11.343 -3.352 -10.686 1.00 0.00 C ATOM 305 C VAL A 21 -11.125 -4.625 -9.883 1.00 0.00 C ATOM 306 O VAL A 21 -11.410 -4.660 -8.704 1.00 0.00 O ATOM 307 CB VAL A 21 -9.950 -2.622 -10.732 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.867 -1.617 -11.908 1.00 0.00 C ATOM 309 CG2 VAL A 21 -9.743 -1.886 -9.395 1.00 0.00 C ATOM 0 H VAL A 21 -12.581 -2.808 -9.064 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.725 -3.572 -11.683 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.168 -3.365 -10.887 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.890 -1.134 -11.905 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.007 -2.147 -12.850 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.646 -0.862 -11.797 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.781 -1.373 -9.407 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.541 -1.157 -9.253 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.760 -2.606 -8.577 1.00 0.00 H new ATOM 319 N TRP A 22 -10.639 -5.662 -10.525 1.00 0.00 N ATOM 320 CA TRP A 22 -10.407 -6.914 -9.741 1.00 0.00 C ATOM 321 C TRP A 22 -9.313 -6.540 -8.768 1.00 0.00 C ATOM 322 O TRP A 22 -8.149 -6.775 -9.026 1.00 0.00 O ATOM 323 CB TRP A 22 -9.884 -8.038 -10.665 1.00 0.00 C ATOM 324 CG TRP A 22 -11.050 -8.725 -11.359 1.00 0.00 C ATOM 325 CD1 TRP A 22 -11.291 -8.627 -12.642 1.00 0.00 C ATOM 326 CD2 TRP A 22 -11.936 -9.485 -10.764 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.394 -9.378 -12.822 1.00 0.00 N ATOM 328 CE2 TRP A 22 -12.870 -9.962 -11.665 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.022 -9.845 -9.435 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -13.883 -10.792 -11.237 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -13.036 -10.675 -9.009 1.00 0.00 C ATOM 332 CH2 TRP A 22 -13.966 -11.149 -9.909 1.00 0.00 C ATOM 0 H TRP A 22 -10.402 -5.698 -11.516 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.317 -7.273 -9.261 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -9.202 -7.622 -11.407 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.317 -8.765 -10.083 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.735 -8.073 -13.383 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.838 -9.504 -13.732 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -11.294 -9.476 -8.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -14.612 -11.163 -11.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -13.102 -10.955 -7.968 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -14.760 -11.800 -9.573 1.00 0.00 H new ATOM 343 N SER A 23 -9.701 -5.968 -7.657 1.00 0.00 N ATOM 344 CA SER A 23 -8.686 -5.549 -6.646 1.00 0.00 C ATOM 345 C SER A 23 -8.538 -6.467 -5.453 1.00 0.00 C ATOM 346 O SER A 23 -9.420 -7.202 -5.065 1.00 0.00 O ATOM 347 CB SER A 23 -9.088 -4.123 -6.134 1.00 0.00 C ATOM 348 OG SER A 23 -10.367 -3.888 -6.707 1.00 0.00 O ATOM 0 H SER A 23 -10.671 -5.774 -7.408 1.00 0.00 H new ATOM 0 HA SER A 23 -7.720 -5.574 -7.150 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.128 -4.089 -5.045 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.367 -3.370 -6.450 1.00 0.00 H new ATOM 0 HG SER A 23 -10.337 -4.085 -7.667 1.00 0.00 H new ATOM 354 N CYS A 24 -7.389 -6.337 -4.909 1.00 0.00 N ATOM 355 CA CYS A 24 -6.966 -7.092 -3.739 1.00 0.00 C ATOM 356 C CYS A 24 -7.936 -6.952 -2.563 1.00 0.00 C ATOM 357 O CYS A 24 -9.052 -6.493 -2.704 1.00 0.00 O ATOM 358 CB CYS A 24 -5.650 -6.402 -3.368 1.00 0.00 C ATOM 359 SG CYS A 24 -5.548 -4.650 -3.864 1.00 0.00 S ATOM 0 H CYS A 24 -6.680 -5.691 -5.256 1.00 0.00 H new ATOM 0 HA CYS A 24 -6.901 -8.160 -3.947 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.511 -6.470 -2.289 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.826 -6.946 -3.830 1.00 0.00 H new ATOM 364 N GLU A 25 -7.451 -7.368 -1.419 1.00 0.00 N ATOM 365 CA GLU A 25 -8.242 -7.306 -0.172 1.00 0.00 C ATOM 366 C GLU A 25 -7.431 -6.524 0.850 1.00 0.00 C ATOM 367 O GLU A 25 -7.969 -5.840 1.697 1.00 0.00 O ATOM 368 CB GLU A 25 -8.464 -8.740 0.344 1.00 0.00 C ATOM 369 CG GLU A 25 -9.590 -8.737 1.382 1.00 0.00 C ATOM 370 CD GLU A 25 -9.127 -7.992 2.638 1.00 0.00 C ATOM 371 OE1 GLU A 25 -7.980 -8.200 3.000 1.00 0.00 O ATOM 372 OE2 GLU A 25 -9.946 -7.256 3.165 1.00 0.00 O ATOM 0 H GLU A 25 -6.515 -7.756 -1.305 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.206 -6.827 -0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.719 -9.401 -0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.546 -9.125 0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.478 -8.258 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.868 -9.760 1.635 1.00 0.00 H new ATOM 379 N GLY A 26 -6.122 -6.646 0.733 1.00 0.00 N ATOM 380 CA GLY A 26 -5.211 -5.926 1.672 1.00 0.00 C ATOM 381 C GLY A 26 -4.829 -4.578 1.071 1.00 0.00 C ATOM 382 O GLY A 26 -5.161 -3.546 1.619 1.00 0.00 O ATOM 0 H GLY A 26 -5.653 -7.214 0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.702 -5.782 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.317 -6.521 1.857 1.00 0.00 H new ATOM 386 N CYS A 27 -4.129 -4.593 -0.052 1.00 0.00 N ATOM 387 CA CYS A 27 -3.755 -3.290 -0.647 1.00 0.00 C ATOM 388 C CYS A 27 -5.037 -2.467 -0.847 1.00 0.00 C ATOM 389 O CYS A 27 -5.002 -1.260 -0.945 1.00 0.00 O ATOM 390 CB CYS A 27 -3.018 -3.494 -2.027 1.00 0.00 C ATOM 391 SG CYS A 27 -2.476 -5.158 -2.525 1.00 0.00 S ATOM 0 H CYS A 27 -3.818 -5.425 -0.554 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.070 -2.766 0.020 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.681 -3.121 -2.808 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.137 -2.853 -2.023 1.00 0.00 H new ATOM 396 N LYS A 28 -6.144 -3.157 -0.927 1.00 0.00 N ATOM 397 CA LYS A 28 -7.432 -2.447 -1.114 1.00 0.00 C ATOM 398 C LYS A 28 -7.693 -1.603 0.135 1.00 0.00 C ATOM 399 O LYS A 28 -8.237 -0.520 0.062 1.00 0.00 O ATOM 400 CB LYS A 28 -8.566 -3.534 -1.332 1.00 0.00 C ATOM 401 CG LYS A 28 -9.819 -3.260 -0.454 1.00 0.00 C ATOM 402 CD LYS A 28 -10.985 -4.112 -0.963 1.00 0.00 C ATOM 403 CE LYS A 28 -12.148 -4.012 0.028 1.00 0.00 C ATOM 404 NZ LYS A 28 -11.700 -4.391 1.398 1.00 0.00 N ATOM 0 H LYS A 28 -6.207 -4.173 -0.871 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.414 -1.787 -1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.857 -3.548 -2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.170 -4.522 -1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.607 -3.498 0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.081 -2.203 -0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.300 -3.768 -1.948 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.672 -5.150 -1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.541 -2.995 0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.961 -4.665 -0.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.472 -4.883 1.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.875 -5.020 1.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.440 -3.534 1.928 1.00 0.00 H new ATOM 418 N ALA A 29 -7.294 -2.134 1.261 1.00 0.00 N ATOM 419 CA ALA A 29 -7.494 -1.403 2.531 1.00 0.00 C ATOM 420 C ALA A 29 -6.589 -0.170 2.553 1.00 0.00 C ATOM 421 O ALA A 29 -6.944 0.866 3.080 1.00 0.00 O ATOM 422 CB ALA A 29 -7.125 -2.372 3.704 1.00 0.00 C ATOM 0 H ALA A 29 -6.839 -3.043 1.349 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.528 -1.073 2.633 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.263 -1.860 4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.770 -3.250 3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.085 -2.682 3.606 1.00 0.00 H new ATOM 428 N PHE A 30 -5.434 -0.324 1.978 1.00 0.00 N ATOM 429 CA PHE A 30 -4.468 0.796 1.932 1.00 0.00 C ATOM 430 C PHE A 30 -5.022 1.901 1.071 1.00 0.00 C ATOM 431 O PHE A 30 -5.059 3.051 1.463 1.00 0.00 O ATOM 432 CB PHE A 30 -3.162 0.232 1.292 1.00 0.00 C ATOM 433 CG PHE A 30 -2.132 1.341 0.978 1.00 0.00 C ATOM 434 CD1 PHE A 30 -2.331 2.214 -0.084 1.00 0.00 C ATOM 435 CD2 PHE A 30 -0.954 1.442 1.712 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.386 3.158 -0.407 1.00 0.00 C ATOM 437 CE2 PHE A 30 -0.007 2.396 1.384 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.228 3.254 0.327 1.00 0.00 C ATOM 0 H PHE A 30 -5.117 -1.186 1.535 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.276 1.199 2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.714 -0.495 1.969 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.411 -0.299 0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.240 2.150 -0.663 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.778 0.773 2.541 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.554 3.826 -1.239 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.906 2.469 1.956 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.510 4.002 0.076 1.00 0.00 H new ATOM 448 N PHE A 31 -5.451 1.527 -0.094 1.00 0.00 N ATOM 449 CA PHE A 31 -6.018 2.536 -1.029 1.00 0.00 C ATOM 450 C PHE A 31 -7.178 3.297 -0.393 1.00 0.00 C ATOM 451 O PHE A 31 -7.214 4.498 -0.456 1.00 0.00 O ATOM 452 CB PHE A 31 -6.532 1.800 -2.315 1.00 0.00 C ATOM 453 CG PHE A 31 -6.942 2.840 -3.424 1.00 0.00 C ATOM 454 CD1 PHE A 31 -6.155 3.953 -3.697 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.183 2.741 -4.061 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.599 4.934 -4.534 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.626 3.749 -4.906 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.825 4.842 -5.141 1.00 0.00 C ATOM 0 H PHE A 31 -5.435 0.569 -0.443 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.236 3.254 -1.278 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.754 1.140 -2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.387 1.172 -2.064 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.180 4.042 -3.241 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.802 1.872 -3.894 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.976 5.796 -4.721 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.595 3.675 -5.377 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.161 5.627 -5.803 1.00 0.00 H new ATOM 468 N LYS A 32 -8.078 2.583 0.247 1.00 0.00 N ATOM 469 CA LYS A 32 -9.246 3.269 0.891 1.00 0.00 C ATOM 470 C LYS A 32 -8.788 4.238 1.966 1.00 0.00 C ATOM 471 O LYS A 32 -9.275 5.346 2.066 1.00 0.00 O ATOM 472 CB LYS A 32 -10.166 2.171 1.537 1.00 0.00 C ATOM 473 CG LYS A 32 -11.662 2.506 1.302 1.00 0.00 C ATOM 474 CD LYS A 32 -12.025 3.845 1.974 1.00 0.00 C ATOM 475 CE LYS A 32 -11.765 3.764 3.487 1.00 0.00 C ATOM 476 NZ LYS A 32 -12.076 2.403 4.005 1.00 0.00 N ATOM 0 H LYS A 32 -8.055 1.568 0.350 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.789 3.836 0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.934 1.196 1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.966 2.104 2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.865 2.562 0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.287 1.709 1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.435 4.651 1.538 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.073 4.081 1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.723 4.008 3.695 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.375 4.504 4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.208 2.446 5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.947 2.052 3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.290 1.759 3.783 1.00 0.00 H new ATOM 490 N ARG A 33 -7.855 3.807 2.740 1.00 0.00 N ATOM 491 CA ARG A 33 -7.349 4.686 3.821 1.00 0.00 C ATOM 492 C ARG A 33 -6.397 5.732 3.262 1.00 0.00 C ATOM 493 O ARG A 33 -6.057 6.690 3.927 1.00 0.00 O ATOM 494 CB ARG A 33 -6.575 3.793 4.806 1.00 0.00 C ATOM 495 CG ARG A 33 -6.367 4.535 6.150 1.00 0.00 C ATOM 496 CD ARG A 33 -7.605 4.353 7.052 1.00 0.00 C ATOM 497 NE ARG A 33 -7.696 5.513 7.983 1.00 0.00 N ATOM 498 CZ ARG A 33 -8.464 5.434 9.037 1.00 0.00 C ATOM 499 NH1 ARG A 33 -9.395 4.520 9.073 1.00 0.00 N ATOM 500 NH2 ARG A 33 -8.274 6.272 10.020 1.00 0.00 N ATOM 0 H ARG A 33 -7.417 2.888 2.678 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.181 5.199 4.303 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.122 2.866 4.975 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.610 3.520 4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.480 4.150 6.654 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.194 5.595 5.966 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.508 4.285 6.445 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.528 3.423 7.615 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.163 6.363 7.799 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.514 3.882 8.286 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.004 4.444 9.888 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.536 6.973 9.957 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.864 6.226 10.851 1.00 0.00 H new ATOM 514 N SER A 34 -5.996 5.531 2.036 1.00 0.00 N ATOM 515 CA SER A 34 -5.049 6.499 1.387 1.00 0.00 C ATOM 516 C SER A 34 -5.643 7.315 0.239 1.00 0.00 C ATOM 517 O SER A 34 -4.929 8.079 -0.361 1.00 0.00 O ATOM 518 CB SER A 34 -3.934 5.668 0.791 1.00 0.00 C ATOM 519 OG SER A 34 -3.266 5.111 1.913 1.00 0.00 O ATOM 0 H SER A 34 -6.279 4.743 1.453 1.00 0.00 H new ATOM 0 HA SER A 34 -4.745 7.210 2.155 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.326 4.890 0.136 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.260 6.280 0.191 1.00 0.00 H new ATOM 0 HG SER A 34 -3.655 4.237 2.125 1.00 0.00 H new ATOM 525 N ILE A 35 -6.897 7.142 -0.076 1.00 0.00 N ATOM 526 CA ILE A 35 -7.456 7.966 -1.222 1.00 0.00 C ATOM 527 C ILE A 35 -7.234 9.465 -1.018 1.00 0.00 C ATOM 528 O ILE A 35 -8.129 10.192 -0.640 1.00 0.00 O ATOM 529 CB ILE A 35 -8.985 7.732 -1.420 1.00 0.00 C ATOM 530 CG1 ILE A 35 -9.369 6.265 -1.205 1.00 0.00 C ATOM 531 CG2 ILE A 35 -9.346 8.145 -2.879 1.00 0.00 C ATOM 532 CD1 ILE A 35 -8.842 5.405 -2.372 1.00 0.00 C ATOM 0 H ILE A 35 -7.546 6.500 0.378 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.913 7.632 -2.106 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.531 8.327 -0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.955 5.907 -0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.453 6.171 -1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.412 7.992 -3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.102 9.197 -3.030 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.777 7.536 -3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.120 4.363 -2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.277 5.756 -3.308 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.756 5.487 -2.423 1.00 0.00 H new ATOM 544 N GLN A 36 -6.049 9.882 -1.307 1.00 0.00 N ATOM 545 CA GLN A 36 -5.683 11.299 -1.166 1.00 0.00 C ATOM 546 C GLN A 36 -4.397 11.536 -1.924 1.00 0.00 C ATOM 547 O GLN A 36 -3.562 10.664 -2.003 1.00 0.00 O ATOM 548 CB GLN A 36 -5.425 11.638 0.318 1.00 0.00 C ATOM 549 CG GLN A 36 -6.754 11.682 1.094 1.00 0.00 C ATOM 550 CD GLN A 36 -6.568 12.501 2.377 1.00 0.00 C ATOM 551 OE1 GLN A 36 -5.851 13.482 2.403 1.00 0.00 O ATOM 552 NE2 GLN A 36 -7.197 12.135 3.459 1.00 0.00 N ATOM 0 H GLN A 36 -5.297 9.281 -1.645 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.494 11.918 -1.550 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.763 10.893 0.759 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.918 12.600 0.396 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.534 12.126 0.476 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.078 10.671 1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.800 11.313 3.445 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.086 12.671 4.320 1.00 0.00 H new ATOM 561 N GLY A 37 -4.249 12.691 -2.463 1.00 0.00 N ATOM 562 CA GLY A 37 -2.999 12.976 -3.221 1.00 0.00 C ATOM 563 C GLY A 37 -1.908 13.335 -2.228 1.00 0.00 C ATOM 564 O GLY A 37 -0.942 12.618 -2.058 1.00 0.00 O ATOM 0 H GLY A 37 -4.925 13.454 -2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.705 12.106 -3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.159 13.796 -3.922 1.00 0.00 H new ATOM 568 N HIS A 38 -2.095 14.456 -1.602 1.00 0.00 N ATOM 569 CA HIS A 38 -1.108 14.926 -0.598 1.00 0.00 C ATOM 570 C HIS A 38 -0.944 13.891 0.493 1.00 0.00 C ATOM 571 O HIS A 38 -1.214 12.733 0.282 1.00 0.00 O ATOM 572 CB HIS A 38 -1.642 16.241 0.022 1.00 0.00 C ATOM 573 CG HIS A 38 -0.476 17.041 0.611 1.00 0.00 C ATOM 574 ND1 HIS A 38 0.685 16.607 0.758 1.00 0.00 N ATOM 575 CD2 HIS A 38 -0.445 18.341 1.082 1.00 0.00 C ATOM 576 CE1 HIS A 38 1.447 17.482 1.268 1.00 0.00 C ATOM 577 NE2 HIS A 38 0.813 18.629 1.513 1.00 0.00 N ATOM 0 H HIS A 38 -2.895 15.073 -1.743 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.142 15.089 -1.075 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.154 16.831 -0.738 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -2.373 16.018 0.799 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.285 19.019 1.104 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.493 17.317 1.480 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.175 19.493 1.916 1.00 0.00 H new ATOM 585 N ASN A 39 -0.486 14.348 1.630 1.00 0.00 N ATOM 586 CA ASN A 39 -0.266 13.436 2.824 1.00 0.00 C ATOM 587 C ASN A 39 1.138 12.842 2.798 1.00 0.00 C ATOM 588 O ASN A 39 1.787 12.827 1.772 1.00 0.00 O ATOM 589 CB ASN A 39 -1.312 12.300 2.818 1.00 0.00 C ATOM 590 CG ASN A 39 -1.466 11.735 4.236 1.00 0.00 C ATOM 591 OD1 ASN A 39 -0.506 11.004 4.735 1.00 0.00 O flip ATOM 592 ND2 ASN A 39 -2.460 11.954 4.899 1.00 0.00 N flip ATOM 0 H ASN A 39 -0.248 15.326 1.797 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.377 14.027 3.733 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.270 12.676 2.459 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.003 11.511 2.133 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.214 12.524 4.515 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.541 11.568 5.840 1.00 0.00 H new ATOM 599 N ASP A 40 1.585 12.362 3.932 1.00 0.00 N ATOM 600 CA ASP A 40 2.950 11.771 3.974 1.00 0.00 C ATOM 601 C ASP A 40 2.982 10.432 3.293 1.00 0.00 C ATOM 602 O ASP A 40 2.483 9.448 3.803 1.00 0.00 O ATOM 603 CB ASP A 40 3.384 11.577 5.406 1.00 0.00 C ATOM 604 CG ASP A 40 3.203 12.883 6.180 1.00 0.00 C ATOM 605 OD1 ASP A 40 4.089 13.712 6.057 1.00 0.00 O ATOM 606 OD2 ASP A 40 2.189 12.978 6.852 1.00 0.00 O ATOM 0 H ASP A 40 1.072 12.355 4.814 1.00 0.00 H new ATOM 0 HA ASP A 40 3.621 12.458 3.458 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.798 10.784 5.870 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.427 11.264 5.441 1.00 0.00 H new ATOM 611 N TYR A 41 3.569 10.424 2.153 1.00 0.00 N ATOM 612 CA TYR A 41 3.678 9.165 1.352 1.00 0.00 C ATOM 613 C TYR A 41 5.101 9.050 0.792 1.00 0.00 C ATOM 614 O TYR A 41 6.040 8.842 1.531 1.00 0.00 O ATOM 615 CB TYR A 41 2.647 9.229 0.159 1.00 0.00 C ATOM 616 CG TYR A 41 1.245 8.767 0.635 1.00 0.00 C ATOM 617 CD1 TYR A 41 0.588 9.424 1.653 1.00 0.00 C ATOM 618 CD2 TYR A 41 0.675 7.628 0.106 1.00 0.00 C ATOM 619 CE1 TYR A 41 -0.601 8.943 2.153 1.00 0.00 C ATOM 620 CE2 TYR A 41 -0.520 7.141 0.603 1.00 0.00 C ATOM 621 CZ TYR A 41 -1.166 7.796 1.631 1.00 0.00 C ATOM 622 OH TYR A 41 -2.343 7.305 2.138 1.00 0.00 O ATOM 0 H TYR A 41 3.992 11.244 1.719 1.00 0.00 H new ATOM 0 HA TYR A 41 3.462 8.300 1.980 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.590 10.247 -0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.988 8.595 -0.660 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.012 10.328 2.064 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.167 7.111 -0.705 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.095 9.466 2.959 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.950 6.243 0.184 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.266 6.336 2.264 1.00 0.00 H new ATOM 632 N MET A 42 5.229 9.219 -0.497 1.00 0.00 N ATOM 633 CA MET A 42 6.564 9.128 -1.132 1.00 0.00 C ATOM 634 C MET A 42 7.297 7.834 -0.769 1.00 0.00 C ATOM 635 O MET A 42 7.028 7.200 0.229 1.00 0.00 O ATOM 636 CB MET A 42 7.415 10.331 -0.661 1.00 0.00 C ATOM 637 CG MET A 42 8.476 10.652 -1.721 1.00 0.00 C ATOM 638 SD MET A 42 9.678 11.947 -1.329 1.00 0.00 S ATOM 639 CE MET A 42 10.740 10.952 -0.253 1.00 0.00 C ATOM 0 H MET A 42 4.459 9.417 -1.136 1.00 0.00 H new ATOM 0 HA MET A 42 6.422 9.135 -2.213 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.777 11.199 -0.495 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.894 10.101 0.291 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.026 9.736 -1.936 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.961 10.937 -2.638 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.565 11.564 0.111 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.159 10.586 0.594 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.136 10.106 -0.814 1.00 0.00 H new ATOM 649 N CYS A 43 8.213 7.486 -1.611 1.00 0.00 N ATOM 650 CA CYS A 43 9.024 6.248 -1.403 1.00 0.00 C ATOM 651 C CYS A 43 10.494 6.561 -1.710 1.00 0.00 C ATOM 652 O CYS A 43 10.777 7.563 -2.321 1.00 0.00 O ATOM 653 CB CYS A 43 8.516 5.167 -2.407 1.00 0.00 C ATOM 654 SG CYS A 43 9.729 4.408 -3.521 1.00 0.00 S ATOM 0 H CYS A 43 8.446 8.011 -2.454 1.00 0.00 H new ATOM 0 HA CYS A 43 8.930 5.893 -0.377 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.046 4.370 -1.831 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.736 5.620 -3.020 1.00 0.00 H new ATOM 659 N PRO A 44 11.412 5.700 -1.260 1.00 0.00 N ATOM 660 CA PRO A 44 12.844 5.918 -1.510 1.00 0.00 C ATOM 661 C PRO A 44 13.116 6.080 -3.026 1.00 0.00 C ATOM 662 O PRO A 44 13.597 5.180 -3.685 1.00 0.00 O ATOM 663 CB PRO A 44 13.548 4.639 -0.934 1.00 0.00 C ATOM 664 CG PRO A 44 12.420 3.720 -0.340 1.00 0.00 C ATOM 665 CD PRO A 44 11.083 4.495 -0.470 1.00 0.00 C ATOM 0 HA PRO A 44 13.215 6.829 -1.041 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.098 4.117 -1.717 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.270 4.910 -0.163 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.371 2.774 -0.879 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.627 3.482 0.703 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.324 3.892 -0.969 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.685 4.762 0.509 1.00 0.00 H new ATOM 673 N ALA A 45 12.788 7.237 -3.532 1.00 0.00 N ATOM 674 CA ALA A 45 12.990 7.527 -4.954 1.00 0.00 C ATOM 675 C ALA A 45 12.275 8.783 -5.227 1.00 0.00 C ATOM 676 O ALA A 45 12.830 9.855 -5.088 1.00 0.00 O ATOM 677 CB ALA A 45 12.390 6.376 -5.802 1.00 0.00 C ATOM 0 H ALA A 45 12.380 8.003 -2.996 1.00 0.00 H new ATOM 0 HA ALA A 45 14.047 7.617 -5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 45 12.539 6.588 -6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.886 5.439 -5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.323 6.290 -5.595 1.00 0.00 H new ATOM 683 N THR A 46 11.055 8.674 -5.606 1.00 0.00 N ATOM 684 CA THR A 46 10.318 9.890 -5.879 1.00 0.00 C ATOM 685 C THR A 46 8.901 9.575 -6.334 1.00 0.00 C ATOM 686 O THR A 46 8.030 10.405 -6.228 1.00 0.00 O ATOM 687 CB THR A 46 11.112 10.709 -6.964 1.00 0.00 C ATOM 688 OG1 THR A 46 11.445 11.926 -6.331 1.00 0.00 O ATOM 689 CG2 THR A 46 10.231 11.143 -8.165 1.00 0.00 C ATOM 0 H THR A 46 10.545 7.800 -5.736 1.00 0.00 H new ATOM 0 HA THR A 46 10.225 10.487 -4.972 1.00 0.00 H new ATOM 0 HB THR A 46 11.938 10.095 -7.323 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.081 11.754 -5.606 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.837 11.703 -8.877 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.821 10.259 -8.654 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.415 11.772 -7.809 1.00 0.00 H new ATOM 697 N ASN A 47 8.738 8.356 -6.786 1.00 0.00 N ATOM 698 CA ASN A 47 7.399 7.828 -7.294 1.00 0.00 C ATOM 699 C ASN A 47 7.596 7.016 -8.574 1.00 0.00 C ATOM 700 O ASN A 47 6.904 7.232 -9.550 1.00 0.00 O ATOM 701 CB ASN A 47 6.417 8.982 -7.645 1.00 0.00 C ATOM 702 CG ASN A 47 7.106 9.984 -8.579 1.00 0.00 C ATOM 703 OD1 ASN A 47 7.771 9.611 -9.525 1.00 0.00 O ATOM 704 ND2 ASN A 47 6.970 11.261 -8.349 1.00 0.00 N ATOM 0 H ASN A 47 9.493 7.672 -6.831 1.00 0.00 H new ATOM 0 HA ASN A 47 6.987 7.216 -6.491 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.524 8.579 -8.124 1.00 0.00 H new ATOM 0 HB3 ASN A 47 6.091 9.484 -6.734 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.421 11.940 -8.962 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.413 11.580 -7.556 1.00 0.00 H new ATOM 711 N GLN A 48 8.531 6.093 -8.563 1.00 0.00 N ATOM 712 CA GLN A 48 8.749 5.282 -9.797 1.00 0.00 C ATOM 713 C GLN A 48 9.515 3.992 -9.515 1.00 0.00 C ATOM 714 O GLN A 48 10.715 4.000 -9.329 1.00 0.00 O ATOM 715 CB GLN A 48 9.555 6.117 -10.793 1.00 0.00 C ATOM 716 CG GLN A 48 9.515 5.424 -12.153 1.00 0.00 C ATOM 717 CD GLN A 48 10.391 6.197 -13.142 1.00 0.00 C ATOM 718 OE1 GLN A 48 11.603 6.102 -13.121 1.00 0.00 O ATOM 719 NE2 GLN A 48 9.820 6.973 -14.023 1.00 0.00 N ATOM 0 H GLN A 48 9.137 5.872 -7.773 1.00 0.00 H new ATOM 0 HA GLN A 48 7.771 5.011 -10.196 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.139 7.122 -10.868 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.585 6.223 -10.452 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.870 4.397 -12.061 1.00 0.00 H new ATOM 0 HG3 GLN A 48 8.489 5.376 -12.519 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.804 7.057 -14.046 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.390 7.495 -14.688 1.00 0.00 H new ATOM 728 N CYS A 49 8.791 2.909 -9.498 1.00 0.00 N ATOM 729 CA CYS A 49 9.415 1.573 -9.234 1.00 0.00 C ATOM 730 C CYS A 49 8.342 0.483 -9.334 1.00 0.00 C ATOM 731 O CYS A 49 7.165 0.775 -9.392 1.00 0.00 O ATOM 732 CB CYS A 49 10.057 1.539 -7.783 1.00 0.00 C ATOM 733 SG CYS A 49 10.174 3.083 -6.847 1.00 0.00 S ATOM 0 H CYS A 49 7.784 2.887 -9.657 1.00 0.00 H new ATOM 0 HA CYS A 49 10.197 1.398 -9.973 1.00 0.00 H new ATOM 0 HB2 CYS A 49 9.482 0.832 -7.184 1.00 0.00 H new ATOM 0 HB3 CYS A 49 11.064 1.132 -7.877 1.00 0.00 H new ATOM 738 N THR A 50 8.766 -0.751 -9.357 1.00 0.00 N ATOM 739 CA THR A 50 7.773 -1.843 -9.451 1.00 0.00 C ATOM 740 C THR A 50 7.009 -1.953 -8.140 1.00 0.00 C ATOM 741 O THR A 50 7.369 -1.331 -7.162 1.00 0.00 O ATOM 742 CB THR A 50 8.512 -3.159 -9.712 1.00 0.00 C ATOM 743 OG1 THR A 50 9.080 -3.017 -10.999 1.00 0.00 O ATOM 744 CG2 THR A 50 7.519 -4.322 -9.856 1.00 0.00 C ATOM 0 H THR A 50 9.743 -1.042 -9.315 1.00 0.00 H new ATOM 0 HA THR A 50 7.074 -1.636 -10.261 1.00 0.00 H new ATOM 0 HB THR A 50 9.217 -3.355 -8.904 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.574 -3.831 -11.230 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.066 -5.247 -10.041 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.939 -4.421 -8.939 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.847 -4.125 -10.691 1.00 0.00 H new ATOM 752 N ILE A 51 5.966 -2.744 -8.131 1.00 0.00 N ATOM 753 CA ILE A 51 5.174 -2.893 -6.874 1.00 0.00 C ATOM 754 C ILE A 51 4.544 -4.291 -6.802 1.00 0.00 C ATOM 755 O ILE A 51 4.163 -4.863 -7.805 1.00 0.00 O ATOM 756 CB ILE A 51 4.078 -1.742 -6.868 1.00 0.00 C ATOM 757 CG1 ILE A 51 4.342 -0.751 -5.718 1.00 0.00 C ATOM 758 CG2 ILE A 51 2.630 -2.309 -6.709 1.00 0.00 C ATOM 759 CD1 ILE A 51 3.959 -1.376 -4.359 1.00 0.00 C ATOM 0 H ILE A 51 5.632 -3.286 -8.928 1.00 0.00 H new ATOM 0 HA ILE A 51 5.808 -2.796 -5.993 1.00 0.00 H new ATOM 0 HB ILE A 51 4.153 -1.236 -7.831 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.395 -0.468 -5.710 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.768 0.161 -5.879 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.915 -1.486 -6.710 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.410 -2.982 -7.537 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.554 -2.854 -5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.153 -0.659 -3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.900 -1.636 -4.363 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.552 -2.275 -4.192 1.00 0.00 H new ATOM 771 N ASP A 52 4.456 -4.798 -5.604 1.00 0.00 N ATOM 772 CA ASP A 52 3.867 -6.141 -5.407 1.00 0.00 C ATOM 773 C ASP A 52 3.711 -6.422 -3.910 1.00 0.00 C ATOM 774 O ASP A 52 2.872 -5.836 -3.255 1.00 0.00 O ATOM 775 CB ASP A 52 4.818 -7.184 -6.024 1.00 0.00 C ATOM 776 CG ASP A 52 6.249 -6.911 -5.547 1.00 0.00 C ATOM 777 OD1 ASP A 52 6.669 -5.778 -5.714 1.00 0.00 O ATOM 778 OD2 ASP A 52 6.841 -7.853 -5.044 1.00 0.00 O ATOM 0 H ASP A 52 4.770 -4.333 -4.752 1.00 0.00 H new ATOM 0 HA ASP A 52 2.888 -6.191 -5.883 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.511 -8.189 -5.734 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.770 -7.138 -7.112 1.00 0.00 H new ATOM 783 N LYS A 53 4.526 -7.312 -3.398 1.00 0.00 N ATOM 784 CA LYS A 53 4.444 -7.645 -1.948 1.00 0.00 C ATOM 785 C LYS A 53 2.991 -7.743 -1.478 1.00 0.00 C ATOM 786 O LYS A 53 2.103 -8.051 -2.249 1.00 0.00 O ATOM 787 CB LYS A 53 5.142 -6.522 -1.150 1.00 0.00 C ATOM 788 CG LYS A 53 6.560 -6.286 -1.705 1.00 0.00 C ATOM 789 CD LYS A 53 7.455 -7.494 -1.375 1.00 0.00 C ATOM 790 CE LYS A 53 8.926 -7.092 -1.531 1.00 0.00 C ATOM 791 NZ LYS A 53 9.246 -5.925 -0.660 1.00 0.00 N ATOM 0 H LYS A 53 5.240 -7.818 -3.921 1.00 0.00 H new ATOM 0 HA LYS A 53 4.925 -8.609 -1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.560 -5.603 -1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.195 -6.793 -0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.518 -6.136 -2.784 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.983 -5.379 -1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.265 -7.835 -0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.221 -8.327 -2.039 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.568 -7.934 -1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.132 -6.843 -2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.260 -5.933 -0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.013 -5.044 -1.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.689 -5.983 0.217 1.00 0.00 H new ATOM 805 N ASN A 54 2.784 -7.472 -0.217 1.00 0.00 N ATOM 806 CA ASN A 54 1.410 -7.537 0.340 1.00 0.00 C ATOM 807 C ASN A 54 1.404 -7.026 1.775 1.00 0.00 C ATOM 808 O ASN A 54 0.368 -6.889 2.391 1.00 0.00 O ATOM 809 CB ASN A 54 0.961 -9.005 0.342 1.00 0.00 C ATOM 810 CG ASN A 54 -0.545 -9.074 0.605 1.00 0.00 C ATOM 811 OD1 ASN A 54 -1.185 -8.078 0.873 1.00 0.00 O ATOM 812 ND2 ASN A 54 -1.147 -10.230 0.539 1.00 0.00 N ATOM 0 H ASN A 54 3.510 -7.209 0.449 1.00 0.00 H new ATOM 0 HA ASN A 54 0.741 -6.924 -0.264 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.196 -9.470 -0.615 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.501 -9.561 1.108 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.150 -10.293 0.712 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.614 -11.070 0.314 1.00 0.00 H new ATOM 819 N ARG A 55 2.578 -6.764 2.274 1.00 0.00 N ATOM 820 CA ARG A 55 2.703 -6.258 3.667 1.00 0.00 C ATOM 821 C ARG A 55 2.423 -4.781 3.747 1.00 0.00 C ATOM 822 O ARG A 55 2.154 -4.244 4.804 1.00 0.00 O ATOM 823 CB ARG A 55 4.140 -6.487 4.110 1.00 0.00 C ATOM 824 CG ARG A 55 4.500 -7.963 3.908 1.00 0.00 C ATOM 825 CD ARG A 55 5.943 -8.194 4.361 1.00 0.00 C ATOM 826 NE ARG A 55 6.816 -7.151 3.752 1.00 0.00 N ATOM 827 CZ ARG A 55 8.027 -6.983 4.209 1.00 0.00 C ATOM 828 NH1 ARG A 55 8.247 -7.134 5.486 1.00 0.00 N ATOM 829 NH2 ARG A 55 8.978 -6.666 3.372 1.00 0.00 N ATOM 0 H ARG A 55 3.460 -6.879 1.775 1.00 0.00 H new ATOM 0 HA ARG A 55 1.984 -6.781 4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.816 -5.853 3.535 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.259 -6.211 5.158 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.821 -8.597 4.478 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.387 -8.237 2.859 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.008 -8.151 5.448 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.277 -9.187 4.061 1.00 0.00 H new ATOM 0 HE ARG A 55 6.470 -6.574 2.985 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.479 -7.380 6.110 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.187 -7.006 5.860 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.768 -6.554 2.380 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.931 -6.530 3.710 1.00 0.00 H new ATOM 843 N ARG A 56 2.512 -4.165 2.638 1.00 0.00 N ATOM 844 CA ARG A 56 2.259 -2.694 2.569 1.00 0.00 C ATOM 845 C ARG A 56 3.188 -1.957 3.528 1.00 0.00 C ATOM 846 O ARG A 56 2.749 -1.368 4.497 1.00 0.00 O ATOM 847 CB ARG A 56 0.776 -2.404 2.960 1.00 0.00 C ATOM 848 CG ARG A 56 -0.125 -2.552 1.719 1.00 0.00 C ATOM 849 CD ARG A 56 -0.184 -4.025 1.297 1.00 0.00 C ATOM 850 NE ARG A 56 1.078 -4.382 0.585 1.00 0.00 N ATOM 851 CZ ARG A 56 1.219 -4.064 -0.675 1.00 0.00 C ATOM 852 NH1 ARG A 56 0.581 -4.760 -1.576 1.00 0.00 N ATOM 853 NH2 ARG A 56 1.993 -3.061 -0.989 1.00 0.00 N ATOM 0 H ARG A 56 2.752 -4.604 1.749 1.00 0.00 H new ATOM 0 HA ARG A 56 2.447 -2.348 1.553 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.454 -3.094 3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.687 -1.397 3.368 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.128 -2.186 1.940 1.00 0.00 H new ATOM 0 HG3 ARG A 56 0.263 -1.945 0.901 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.315 -4.662 2.172 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.043 -4.196 0.648 1.00 0.00 H new ATOM 0 HE ARG A 56 1.825 -4.871 1.078 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.015 -5.537 -1.292 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.679 -4.527 -2.564 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.475 -2.540 -0.257 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.115 -2.798 -1.967 1.00 0.00 H new ATOM 867 N LYS A 57 4.469 -2.004 3.239 1.00 0.00 N ATOM 868 CA LYS A 57 5.450 -1.312 4.124 1.00 0.00 C ATOM 869 C LYS A 57 6.711 -0.957 3.350 1.00 0.00 C ATOM 870 O LYS A 57 7.620 -0.341 3.867 1.00 0.00 O ATOM 871 CB LYS A 57 5.796 -2.271 5.298 1.00 0.00 C ATOM 872 CG LYS A 57 6.819 -1.627 6.264 1.00 0.00 C ATOM 873 CD LYS A 57 6.366 -0.204 6.649 1.00 0.00 C ATOM 874 CE LYS A 57 7.046 0.215 7.958 1.00 0.00 C ATOM 875 NZ LYS A 57 6.549 -0.613 9.092 1.00 0.00 N ATOM 0 H LYS A 57 4.870 -2.488 2.436 1.00 0.00 H new ATOM 0 HA LYS A 57 5.020 -0.385 4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.887 -2.525 5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.202 -3.202 4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.919 -2.239 7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.801 -1.589 5.793 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.621 0.497 5.854 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.283 -0.175 6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.126 0.104 7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.849 1.269 8.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.631 -0.074 9.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.552 -0.862 8.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.116 -1.482 9.162 1.00 0.00 H new ATOM 889 N SER A 58 6.722 -1.329 2.108 1.00 0.00 N ATOM 890 CA SER A 58 7.910 -1.036 1.239 1.00 0.00 C ATOM 891 C SER A 58 7.614 0.152 0.331 1.00 0.00 C ATOM 892 O SER A 58 7.778 1.291 0.722 1.00 0.00 O ATOM 893 CB SER A 58 8.190 -2.272 0.366 1.00 0.00 C ATOM 894 OG SER A 58 8.628 -3.256 1.289 1.00 0.00 O ATOM 0 H SER A 58 5.961 -1.826 1.645 1.00 0.00 H new ATOM 0 HA SER A 58 8.771 -0.801 1.865 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.295 -2.595 -0.166 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.951 -2.064 -0.386 1.00 0.00 H new ATOM 0 HG SER A 58 9.252 -3.867 0.844 1.00 0.00 H new ATOM 900 N CYS A 59 7.181 -0.133 -0.872 1.00 0.00 N ATOM 901 CA CYS A 59 6.868 0.964 -1.819 1.00 0.00 C ATOM 902 C CYS A 59 5.428 1.415 -1.560 1.00 0.00 C ATOM 903 O CYS A 59 4.604 1.503 -2.451 1.00 0.00 O ATOM 904 CB CYS A 59 7.046 0.397 -3.272 1.00 0.00 C ATOM 905 SG CYS A 59 8.503 0.934 -4.222 1.00 0.00 S ATOM 0 H CYS A 59 7.033 -1.076 -1.232 1.00 0.00 H new ATOM 0 HA CYS A 59 7.525 1.824 -1.693 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.072 -0.691 -3.206 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.157 0.660 -3.845 1.00 0.00 H new ATOM 910 N GLN A 60 5.178 1.696 -0.319 1.00 0.00 N ATOM 911 CA GLN A 60 3.830 2.143 0.090 1.00 0.00 C ATOM 912 C GLN A 60 3.340 3.318 -0.737 1.00 0.00 C ATOM 913 O GLN A 60 2.234 3.302 -1.226 1.00 0.00 O ATOM 914 CB GLN A 60 3.898 2.573 1.584 1.00 0.00 C ATOM 915 CG GLN A 60 3.693 1.349 2.481 1.00 0.00 C ATOM 916 CD GLN A 60 3.726 1.785 3.946 1.00 0.00 C ATOM 917 OE1 GLN A 60 4.879 2.009 4.514 1.00 0.00 O flip ATOM 918 NE2 GLN A 60 2.702 1.924 4.588 1.00 0.00 N flip ATOM 0 H GLN A 60 5.859 1.634 0.437 1.00 0.00 H new ATOM 0 HA GLN A 60 3.133 1.319 -0.063 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.862 3.035 1.796 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.133 3.321 1.793 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.740 0.872 2.253 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.472 0.611 2.292 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.798 1.750 4.149 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.748 2.214 5.565 1.00 0.00 H new ATOM 927 N ALA A 61 4.167 4.304 -0.916 1.00 0.00 N ATOM 928 CA ALA A 61 3.698 5.462 -1.716 1.00 0.00 C ATOM 929 C ALA A 61 3.435 5.088 -3.156 1.00 0.00 C ATOM 930 O ALA A 61 2.418 5.458 -3.708 1.00 0.00 O ATOM 931 CB ALA A 61 4.711 6.606 -1.642 1.00 0.00 C ATOM 0 H ALA A 61 5.119 4.360 -0.555 1.00 0.00 H new ATOM 0 HA ALA A 61 2.752 5.792 -1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.353 7.448 -2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.833 6.917 -0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.670 6.269 -2.035 1.00 0.00 H new ATOM 937 N CYS A 62 4.328 4.368 -3.759 1.00 0.00 N ATOM 938 CA CYS A 62 4.076 3.996 -5.161 1.00 0.00 C ATOM 939 C CYS A 62 2.808 3.179 -5.213 1.00 0.00 C ATOM 940 O CYS A 62 2.165 3.096 -6.230 1.00 0.00 O ATOM 941 CB CYS A 62 5.251 3.176 -5.682 1.00 0.00 C ATOM 942 SG CYS A 62 6.810 4.056 -5.932 1.00 0.00 S ATOM 0 H CYS A 62 5.200 4.030 -3.352 1.00 0.00 H new ATOM 0 HA CYS A 62 3.966 4.886 -5.781 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.430 2.358 -4.984 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.958 2.727 -6.631 1.00 0.00 H new ATOM 947 N ARG A 63 2.478 2.566 -4.095 1.00 0.00 N ATOM 948 CA ARG A 63 1.248 1.749 -4.052 1.00 0.00 C ATOM 949 C ARG A 63 0.071 2.662 -4.367 1.00 0.00 C ATOM 950 O ARG A 63 -0.743 2.377 -5.216 1.00 0.00 O ATOM 951 CB ARG A 63 1.098 1.178 -2.608 1.00 0.00 C ATOM 952 CG ARG A 63 0.394 -0.190 -2.636 1.00 0.00 C ATOM 953 CD ARG A 63 -0.955 -0.080 -3.343 1.00 0.00 C ATOM 954 NE ARG A 63 -1.777 0.953 -2.676 1.00 0.00 N ATOM 955 CZ ARG A 63 -3.033 1.054 -2.988 1.00 0.00 C ATOM 956 NH1 ARG A 63 -3.698 -0.029 -3.280 1.00 0.00 N ATOM 957 NH2 ARG A 63 -3.585 2.233 -2.986 1.00 0.00 N ATOM 0 H ARG A 63 3.011 2.604 -3.226 1.00 0.00 H new ATOM 0 HA ARG A 63 1.286 0.930 -4.770 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.081 1.078 -2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.527 1.874 -1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.022 -0.919 -3.148 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.250 -0.553 -1.618 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.808 0.178 -4.392 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.469 -1.041 -3.320 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.364 1.576 -1.982 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.230 -0.935 -3.261 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.686 0.030 -3.528 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.032 3.055 -2.742 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.571 2.335 -3.228 1.00 0.00 H new ATOM 971 N LEU A 64 0.008 3.750 -3.646 1.00 0.00 N ATOM 972 CA LEU A 64 -1.084 4.707 -3.869 1.00 0.00 C ATOM 973 C LEU A 64 -1.094 5.125 -5.311 1.00 0.00 C ATOM 974 O LEU A 64 -2.021 4.852 -6.045 1.00 0.00 O ATOM 975 CB LEU A 64 -0.790 5.957 -3.038 1.00 0.00 C ATOM 976 CG LEU A 64 -1.922 6.997 -3.195 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.301 6.361 -2.807 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.605 8.194 -2.246 1.00 0.00 C ATOM 0 H LEU A 64 0.672 4.007 -2.915 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.036 4.252 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.683 5.685 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.158 6.394 -3.352 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.982 7.334 -4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.090 7.104 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.506 5.511 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.268 6.025 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.389 8.946 -2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.558 7.839 -1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.647 8.634 -2.523 1.00 0.00 H new ATOM 990 N ARG A 65 -0.036 5.799 -5.694 1.00 0.00 N ATOM 991 CA ARG A 65 0.076 6.264 -7.087 1.00 0.00 C ATOM 992 C ARG A 65 -0.262 5.137 -8.020 1.00 0.00 C ATOM 993 O ARG A 65 -0.929 5.330 -9.016 1.00 0.00 O ATOM 994 CB ARG A 65 1.539 6.715 -7.327 1.00 0.00 C ATOM 995 CG ARG A 65 1.763 7.013 -8.823 1.00 0.00 C ATOM 996 CD ARG A 65 0.715 8.023 -9.308 1.00 0.00 C ATOM 997 NE ARG A 65 1.208 8.665 -10.571 1.00 0.00 N ATOM 998 CZ ARG A 65 1.859 9.805 -10.516 1.00 0.00 C ATOM 999 NH1 ARG A 65 2.916 9.899 -9.753 1.00 0.00 N ATOM 1000 NH2 ARG A 65 1.428 10.810 -11.229 1.00 0.00 N ATOM 0 H ARG A 65 0.750 6.041 -5.091 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.610 7.091 -7.268 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.755 7.604 -6.735 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.227 5.937 -6.996 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.766 7.411 -8.979 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.691 6.093 -9.402 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.237 7.523 -9.486 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.539 8.780 -8.544 1.00 0.00 H new ATOM 0 HE ARG A 65 1.038 8.217 -11.471 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.226 9.093 -9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.431 10.778 -9.701 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.600 10.702 -11.815 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.919 11.703 -11.200 1.00 0.00 H new ATOM 1014 N LYS A 66 0.200 3.969 -7.689 1.00 0.00 N ATOM 1015 CA LYS A 66 -0.103 2.846 -8.556 1.00 0.00 C ATOM 1016 C LYS A 66 -1.585 2.644 -8.535 1.00 0.00 C ATOM 1017 O LYS A 66 -2.184 2.365 -9.543 1.00 0.00 O ATOM 1018 CB LYS A 66 0.614 1.578 -8.031 1.00 0.00 C ATOM 1019 CG LYS A 66 2.098 1.598 -8.480 1.00 0.00 C ATOM 1020 CD LYS A 66 2.223 0.959 -9.872 1.00 0.00 C ATOM 1021 CE LYS A 66 3.583 1.314 -10.476 1.00 0.00 C ATOM 1022 NZ LYS A 66 4.682 0.711 -9.671 1.00 0.00 N ATOM 0 H LYS A 66 0.764 3.762 -6.865 1.00 0.00 H new ATOM 0 HA LYS A 66 0.238 3.038 -9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.553 1.537 -6.943 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.120 0.684 -8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.467 2.623 -8.505 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.713 1.055 -7.763 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.117 -0.123 -9.798 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.422 1.314 -10.520 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.637 0.954 -11.504 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.701 2.397 -10.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.598 1.069 -10.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.559 0.966 -8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.657 -0.324 -9.770 1.00 0.00 H new ATOM 1036 N CYS A 67 -2.172 2.835 -7.374 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.621 2.655 -7.282 1.00 0.00 C ATOM 1038 C CYS A 67 -4.301 3.669 -8.150 1.00 0.00 C ATOM 1039 O CYS A 67 -5.248 3.374 -8.834 1.00 0.00 O ATOM 1040 CB CYS A 67 -4.051 2.809 -5.819 1.00 0.00 C ATOM 1041 SG CYS A 67 -5.031 1.450 -5.168 1.00 0.00 S ATOM 0 H CYS A 67 -1.702 3.103 -6.510 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.904 1.660 -7.627 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.158 2.921 -5.204 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.624 3.731 -5.720 1.00 0.00 H new ATOM 0 HG CYS A 67 -6.146 1.912 -4.684 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.836 4.863 -8.094 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.471 5.872 -8.935 1.00 0.00 C ATOM 1049 C TYR A 68 -4.167 5.504 -10.373 1.00 0.00 C ATOM 1050 O TYR A 68 -4.904 5.839 -11.279 1.00 0.00 O ATOM 1051 CB TYR A 68 -3.869 7.262 -8.616 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.264 7.776 -7.179 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.552 7.603 -6.653 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.345 8.515 -6.430 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -5.896 8.156 -5.435 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -3.711 9.074 -5.213 1.00 0.00 C ATOM 1057 CZ TYR A 68 -4.982 8.894 -4.714 1.00 0.00 C ATOM 1058 OH TYR A 68 -5.336 9.452 -3.515 1.00 0.00 O ATOM 0 H TYR A 68 -3.059 5.179 -7.514 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.546 5.910 -8.760 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.783 7.211 -8.694 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.208 7.981 -9.362 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.283 7.031 -7.206 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.340 8.653 -6.801 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.892 8.009 -5.043 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.993 9.655 -4.653 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.176 9.946 -3.619 1.00 0.00 H new ATOM 1068 N GLU A 69 -3.064 4.810 -10.554 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.684 4.397 -11.923 1.00 0.00 C ATOM 1070 C GLU A 69 -3.591 3.277 -12.373 1.00 0.00 C ATOM 1071 O GLU A 69 -3.919 3.146 -13.535 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.218 3.907 -11.908 1.00 0.00 C ATOM 1073 CG GLU A 69 -0.615 4.059 -13.309 1.00 0.00 C ATOM 1074 CD GLU A 69 -1.400 3.193 -14.294 1.00 0.00 C ATOM 1075 OE1 GLU A 69 -1.308 1.986 -14.148 1.00 0.00 O ATOM 1076 OE2 GLU A 69 -2.050 3.789 -15.139 1.00 0.00 O ATOM 0 H GLU A 69 -2.425 4.520 -9.814 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.782 5.238 -12.610 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.638 4.482 -11.186 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.175 2.864 -11.593 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.647 5.103 -13.620 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.433 3.761 -13.300 1.00 0.00 H new ATOM 1083 N VAL A 70 -3.971 2.496 -11.428 1.00 0.00 N ATOM 1084 CA VAL A 70 -4.876 1.349 -11.730 1.00 0.00 C ATOM 1085 C VAL A 70 -6.150 1.897 -12.313 1.00 0.00 C ATOM 1086 O VAL A 70 -6.907 1.205 -12.963 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.227 0.594 -10.402 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -6.420 -0.344 -10.639 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.027 -0.236 -9.921 1.00 0.00 C ATOM 0 H VAL A 70 -3.700 2.591 -10.449 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.389 0.665 -12.425 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.479 1.333 -9.642 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.661 -0.867 -9.714 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.283 0.239 -10.962 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.164 -1.070 -11.410 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.289 -0.753 -8.998 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.761 -0.968 -10.684 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.178 0.423 -9.739 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.349 3.135 -12.061 1.00 0.00 N ATOM 1100 CA GLY A 71 -7.568 3.804 -12.569 1.00 0.00 C ATOM 1101 C GLY A 71 -8.757 3.355 -11.723 1.00 0.00 C ATOM 1102 O GLY A 71 -9.788 2.976 -12.243 1.00 0.00 O ATOM 0 H GLY A 71 -5.720 3.729 -11.520 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.455 4.887 -12.518 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.731 3.549 -13.616 1.00 0.00 H new ATOM 1106 N MET A 72 -8.585 3.410 -10.419 1.00 0.00 N ATOM 1107 CA MET A 72 -9.701 2.984 -9.510 1.00 0.00 C ATOM 1108 C MET A 72 -10.541 4.140 -9.106 1.00 0.00 C ATOM 1109 O MET A 72 -11.676 4.299 -9.507 1.00 0.00 O ATOM 1110 CB MET A 72 -9.091 2.434 -8.177 1.00 0.00 C ATOM 1111 CG MET A 72 -8.554 1.025 -8.373 1.00 0.00 C ATOM 1112 SD MET A 72 -9.123 -0.173 -7.182 1.00 0.00 S ATOM 1113 CE MET A 72 -7.752 -0.151 -6.144 1.00 0.00 C ATOM 0 H MET A 72 -7.735 3.726 -9.952 1.00 0.00 H new ATOM 0 HA MET A 72 -10.292 2.244 -10.049 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.289 3.091 -7.840 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.852 2.433 -7.396 1.00 0.00 H new ATOM 0 HG2 MET A 72 -8.831 0.683 -9.370 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.465 1.060 -8.339 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.894 -0.872 -5.339 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.860 -0.414 -6.713 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.632 0.846 -5.721 1.00 0.00 H new ATOM 1123 N MET A 73 -9.932 4.911 -8.302 1.00 0.00 N ATOM 1124 CA MET A 73 -10.565 6.097 -7.771 1.00 0.00 C ATOM 1125 C MET A 73 -11.746 5.649 -6.990 1.00 0.00 C ATOM 1126 O MET A 73 -12.702 5.138 -7.538 1.00 0.00 O ATOM 1127 CB MET A 73 -11.005 7.033 -8.880 1.00 0.00 C ATOM 1128 CG MET A 73 -9.851 7.231 -9.867 1.00 0.00 C ATOM 1129 SD MET A 73 -10.075 8.466 -11.171 1.00 0.00 S ATOM 1130 CE MET A 73 -8.421 8.338 -11.895 1.00 0.00 C ATOM 0 H MET A 73 -8.977 4.759 -7.977 1.00 0.00 H new ATOM 0 HA MET A 73 -9.860 6.647 -7.147 1.00 0.00 H new ATOM 0 HB2 MET A 73 -11.872 6.621 -9.396 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.309 7.993 -8.462 1.00 0.00 H new ATOM 0 HG2 MET A 73 -8.962 7.500 -9.297 1.00 0.00 H new ATOM 0 HG3 MET A 73 -9.646 6.272 -10.343 1.00 0.00 H new ATOM 0 HE1 MET A 73 -8.337 9.028 -12.734 1.00 0.00 H new ATOM 0 HE2 MET A 73 -7.674 8.589 -11.142 1.00 0.00 H new ATOM 0 HE3 MET A 73 -8.255 7.319 -12.245 1.00 0.00 H new ATOM 1140 N LYS A 74 -11.652 5.832 -5.723 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.752 5.426 -4.824 1.00 0.00 C ATOM 1142 C LYS A 74 -14.133 5.593 -5.479 1.00 0.00 C ATOM 1143 O LYS A 74 -15.045 4.835 -5.214 1.00 0.00 O ATOM 1144 CB LYS A 74 -12.691 6.288 -3.547 1.00 0.00 C ATOM 1145 CG LYS A 74 -13.921 5.988 -2.652 1.00 0.00 C ATOM 1146 CD LYS A 74 -13.755 6.676 -1.274 1.00 0.00 C ATOM 1147 CE LYS A 74 -14.242 8.131 -1.359 1.00 0.00 C ATOM 1148 NZ LYS A 74 -15.724 8.177 -1.506 1.00 0.00 N ATOM 0 H LYS A 74 -10.848 6.253 -5.257 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.624 4.369 -4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.772 6.079 -3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.671 7.345 -3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.830 6.343 -3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.031 4.912 -2.519 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.323 6.136 -0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.709 6.650 -0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.942 8.674 -0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.771 8.630 -2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.080 9.086 -1.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.977 8.078 -2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.151 7.400 -0.963 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.250 6.583 -6.321 1.00 0.00 N ATOM 1163 CA GLY A 75 -15.556 6.814 -7.001 1.00 0.00 C ATOM 1164 C GLY A 75 -15.448 7.986 -7.978 1.00 0.00 C ATOM 1165 O GLY A 75 -16.043 9.004 -7.671 1.00 0.00 O ATOM 1166 OXT GLY A 75 -14.776 7.794 -8.978 1.00 0.00 O ATOM 0 H GLY A 75 -13.506 7.236 -6.566 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.859 5.914 -7.535 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.328 7.020 -6.260 1.00 0.00 H new TER 1170 GLY A 75 HETATM 1171 ZN ZN A 98 -3.385 -4.673 -4.567 1.00 0.00 ZN HETATM 1172 ZN ZN A 99 8.702 3.068 -5.078 1.00 0.00 ZN