USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 581 hydrogens (2 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 NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 102 CUCU :(H bumps) USER MOD Set 1.1: A 46 THR OG1 : rot 169:sc= 0.494 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0.588 USER MOD Set 2.1: A 16 SER OG : rot -170:sc= 0.0258 USER MOD Set 2.2: A 28 MET CE :methyl -142:sc= -0.0488 (180deg=-1.15) USER MOD Single : A 1 VAL N :NH3+ 169:sc= -0.102 (180deg=-0.487) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= -0.205 USER MOD Single : A 5 ASN : amide:sc= -2.68! C(o=-2.7!,f=-3.6!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.307 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.0146 F(o=-0.94,f=-0.015) USER MOD Single : A 17 LYS NZ :NH3+ -121:sc= -3.28! (180deg=-4.31!) USER MOD Single : A 19 HIS : no HD1:sc= 0.686 K(o=0.69,f=-2.8!) USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= -0.0395 (180deg=-0.546) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -7.16! C(o=-15!,f=-7.2!) USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= -1.53 (180deg=-2.08) USER MOD Single : A 34 LYS NZ :NH3+ -153:sc= -1.54 (180deg=-2.28!) USER MOD Single : A 35 SER OG : rot 48:sc= -3.81! USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN :FLIP amide:sc= -1.23 F(o=-2.2!,f=-1.2) USER MOD Single : A 38 MET CE :methyl -108:sc= 0 (180deg=-0.0304) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -152:sc= -1.61 (180deg=-3.21!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 156:sc= -1.19 (180deg=-2.19) USER MOD Single : A 55 LYS NZ :NH3+ 137:sc= -0.288 (180deg=-1.35!) USER MOD Single : A 57 ASN :FLIP amide:sc= -1.38 F(o=-3.4!,f=-1.4) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 3.359 12.392 -5.598 1.00 0.00 N ATOM 2 CA VAL A 1 2.981 13.347 -6.688 1.00 0.00 C ATOM 3 C VAL A 1 2.209 12.605 -7.779 1.00 0.00 C ATOM 4 O VAL A 1 1.033 12.283 -7.600 1.00 0.00 O ATOM 5 CB VAL A 1 4.247 14.029 -7.255 1.00 0.00 C ATOM 6 CG1 VAL A 1 5.339 12.979 -7.592 1.00 0.00 C ATOM 7 CG2 VAL A 1 3.882 14.863 -8.516 1.00 0.00 C ATOM 0 H1 VAL A 1 4.036 12.850 -4.955 1.00 0.00 H new ATOM 0 H2 VAL A 1 2.508 12.118 -5.066 1.00 0.00 H new ATOM 0 H3 VAL A 1 3.795 11.545 -6.015 1.00 0.00 H new ATOM 0 HA VAL A 1 2.334 14.126 -6.285 1.00 0.00 H new ATOM 0 HB VAL A 1 4.650 14.698 -6.494 1.00 0.00 H new ATOM 0 HG11 VAL A 1 6.219 13.484 -7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 1 5.611 12.434 -6.688 1.00 0.00 H new ATOM 0 HG13 VAL A 1 4.955 12.281 -8.336 1.00 0.00 H new ATOM 0 HG21 VAL A 1 4.780 15.340 -8.909 1.00 0.00 H new ATOM 0 HG22 VAL A 1 3.457 14.207 -9.276 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.153 15.627 -8.248 1.00 0.00 H new ATOM 18 N ASP A 2 2.865 12.326 -8.899 1.00 0.00 N ATOM 19 CA ASP A 2 2.219 11.615 -9.995 1.00 0.00 C ATOM 20 C ASP A 2 1.009 12.392 -10.509 1.00 0.00 C ATOM 21 O ASP A 2 0.208 12.905 -9.726 1.00 0.00 O ATOM 22 CB ASP A 2 1.780 10.228 -9.522 1.00 0.00 C ATOM 23 CG ASP A 2 2.867 9.611 -8.647 1.00 0.00 C ATOM 24 OD1 ASP A 2 3.263 10.252 -7.686 1.00 0.00 O ATOM 25 OD2 ASP A 2 3.288 8.508 -8.950 1.00 0.00 O ATOM 0 H ASP A 2 3.838 12.579 -9.072 1.00 0.00 H new ATOM 0 HA ASP A 2 2.935 11.514 -10.811 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.848 10.303 -8.961 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.584 9.586 -10.381 1.00 0.00 H new ATOM 30 N MET A 3 0.885 12.478 -11.830 1.00 0.00 N ATOM 31 CA MET A 3 -0.230 13.195 -12.440 1.00 0.00 C ATOM 32 C MET A 3 -1.493 12.341 -12.418 1.00 0.00 C ATOM 33 O MET A 3 -2.549 12.786 -11.965 1.00 0.00 O ATOM 34 CB MET A 3 0.114 13.565 -13.882 1.00 0.00 C ATOM 35 CG MET A 3 1.345 14.473 -13.899 1.00 0.00 C ATOM 36 SD MET A 3 1.704 14.972 -15.601 1.00 0.00 S ATOM 37 CE MET A 3 3.158 15.985 -15.239 1.00 0.00 C ATOM 0 H MET A 3 1.538 12.063 -12.495 1.00 0.00 H new ATOM 0 HA MET A 3 -0.411 14.104 -11.866 1.00 0.00 H new ATOM 0 HB2 MET A 3 0.307 12.663 -14.463 1.00 0.00 H new ATOM 0 HB3 MET A 3 -0.730 14.071 -14.350 1.00 0.00 H new ATOM 0 HG2 MET A 3 1.169 15.353 -13.280 1.00 0.00 H new ATOM 0 HG3 MET A 3 2.202 13.950 -13.474 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.551 16.401 -16.166 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.878 16.796 -14.567 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.922 15.369 -14.765 1.00 0.00 H new ATOM 47 N SER A 4 -1.379 11.112 -12.912 1.00 0.00 N ATOM 48 CA SER A 4 -2.520 10.203 -12.946 1.00 0.00 C ATOM 49 C SER A 4 -3.253 10.210 -11.609 1.00 0.00 C ATOM 50 O SER A 4 -4.456 9.954 -11.549 1.00 0.00 O ATOM 51 CB SER A 4 -2.046 8.784 -13.263 1.00 0.00 C ATOM 52 OG SER A 4 -0.946 8.459 -12.425 1.00 0.00 O ATOM 0 H SER A 4 -0.515 10.725 -13.292 1.00 0.00 H new ATOM 0 HA SER A 4 -3.206 10.540 -13.723 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.858 8.074 -13.108 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.754 8.711 -14.311 1.00 0.00 H new ATOM 0 HG SER A 4 -0.641 7.549 -12.624 1.00 0.00 H new ATOM 58 N ASN A 5 -2.522 10.505 -10.540 1.00 0.00 N ATOM 59 CA ASN A 5 -3.114 10.543 -9.208 1.00 0.00 C ATOM 60 C ASN A 5 -3.803 9.220 -8.888 1.00 0.00 C ATOM 61 O ASN A 5 -4.895 9.199 -8.322 1.00 0.00 O ATOM 62 CB ASN A 5 -4.130 11.683 -9.120 1.00 0.00 C ATOM 63 CG ASN A 5 -3.442 13.016 -9.391 1.00 0.00 C ATOM 64 OD1 ASN A 5 -3.873 13.771 -10.263 1.00 0.00 O ATOM 65 ND2 ASN A 5 -2.393 13.354 -8.693 1.00 0.00 N ATOM 0 H ASN A 5 -1.525 10.720 -10.569 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.317 10.709 -8.483 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.931 11.524 -9.842 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.590 11.696 -8.132 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.929 14.245 -8.869 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -2.037 12.727 -7.971 1.00 0.00 H new ATOM 72 N VAL A 6 -3.155 8.118 -9.252 1.00 0.00 N ATOM 73 CA VAL A 6 -3.713 6.795 -8.997 1.00 0.00 C ATOM 74 C VAL A 6 -3.984 6.608 -7.508 1.00 0.00 C ATOM 75 O VAL A 6 -3.383 7.281 -6.670 1.00 0.00 O ATOM 76 CB VAL A 6 -2.745 5.716 -9.482 1.00 0.00 C ATOM 77 CG1 VAL A 6 -2.625 5.782 -11.004 1.00 0.00 C ATOM 78 CG2 VAL A 6 -1.369 5.948 -8.852 1.00 0.00 C ATOM 0 H VAL A 6 -2.249 8.114 -9.721 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.654 6.707 -9.540 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.120 4.735 -9.191 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.934 5.012 -11.348 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.604 5.618 -11.454 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.250 6.763 -11.297 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.677 5.180 -9.196 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.996 6.930 -9.144 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.453 5.900 -7.766 1.00 0.00 H new ATOM 88 N VAL A 7 -4.894 5.691 -7.183 1.00 0.00 N ATOM 89 CA VAL A 7 -5.239 5.426 -5.787 1.00 0.00 C ATOM 90 C VAL A 7 -5.706 3.984 -5.614 1.00 0.00 C ATOM 91 O VAL A 7 -6.177 3.353 -6.560 1.00 0.00 O ATOM 92 CB VAL A 7 -6.348 6.379 -5.334 1.00 0.00 C ATOM 93 CG1 VAL A 7 -5.833 7.819 -5.367 1.00 0.00 C ATOM 94 CG2 VAL A 7 -7.549 6.245 -6.272 1.00 0.00 C ATOM 0 H VAL A 7 -5.402 5.123 -7.861 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.350 5.584 -5.177 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.650 6.126 -4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.624 8.496 -5.044 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.978 7.915 -4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.530 8.074 -6.382 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.339 6.923 -5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.247 6.496 -7.289 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.918 5.220 -6.246 1.00 0.00 H new ATOM 104 N LYS A 8 -5.570 3.472 -4.395 1.00 0.00 N ATOM 105 CA LYS A 8 -5.979 2.103 -4.096 1.00 0.00 C ATOM 106 C LYS A 8 -6.095 1.904 -2.591 1.00 0.00 C ATOM 107 O LYS A 8 -5.309 2.457 -1.821 1.00 0.00 O ATOM 108 CB LYS A 8 -4.950 1.112 -4.658 1.00 0.00 C ATOM 109 CG LYS A 8 -5.493 -0.342 -4.582 1.00 0.00 C ATOM 110 CD LYS A 8 -5.947 -0.822 -5.969 1.00 0.00 C ATOM 111 CE LYS A 8 -7.156 -0.003 -6.429 1.00 0.00 C ATOM 112 NZ LYS A 8 -7.783 -0.664 -7.608 1.00 0.00 N ATOM 0 H LYS A 8 -5.182 3.981 -3.601 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.949 1.924 -4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.720 1.366 -5.693 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.019 1.188 -4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.719 -1.006 -4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.329 -0.388 -3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.132 -0.718 -6.685 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.206 -1.880 -5.931 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.880 0.083 -5.619 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.846 1.009 -6.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.604 -0.108 -7.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.090 -0.724 -8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.093 -1.621 -7.345 1.00 0.00 H new ATOM 126 N THR A 9 -7.075 1.107 -2.172 1.00 0.00 N ATOM 127 CA THR A 9 -7.274 0.841 -0.751 1.00 0.00 C ATOM 128 C THR A 9 -7.965 -0.503 -0.544 1.00 0.00 C ATOM 129 O THR A 9 -9.145 -0.661 -0.857 1.00 0.00 O ATOM 130 CB THR A 9 -8.124 1.953 -0.128 1.00 0.00 C ATOM 131 OG1 THR A 9 -7.540 3.214 -0.424 1.00 0.00 O ATOM 132 CG2 THR A 9 -8.189 1.760 1.387 1.00 0.00 C ATOM 0 H THR A 9 -7.738 0.638 -2.790 1.00 0.00 H new ATOM 0 HA THR A 9 -6.298 0.811 -0.268 1.00 0.00 H new ATOM 0 HB THR A 9 -9.133 1.914 -0.539 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.083 3.927 -0.028 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.794 2.552 1.829 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.638 0.792 1.612 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.182 1.798 1.802 1.00 0.00 H new ATOM 140 N TYR A 10 -7.221 -1.465 0.000 1.00 0.00 N ATOM 141 CA TYR A 10 -7.762 -2.797 0.268 1.00 0.00 C ATOM 142 C TYR A 10 -8.098 -2.924 1.753 1.00 0.00 C ATOM 143 O TYR A 10 -7.203 -3.039 2.590 1.00 0.00 O ATOM 144 CB TYR A 10 -6.735 -3.868 -0.122 1.00 0.00 C ATOM 145 CG TYR A 10 -6.652 -3.989 -1.632 1.00 0.00 C ATOM 146 CD1 TYR A 10 -7.770 -4.407 -2.365 1.00 0.00 C ATOM 147 CD2 TYR A 10 -5.454 -3.681 -2.300 1.00 0.00 C ATOM 148 CE1 TYR A 10 -7.693 -4.519 -3.758 1.00 0.00 C ATOM 149 CE2 TYR A 10 -5.381 -3.794 -3.693 1.00 0.00 C ATOM 150 CZ TYR A 10 -6.499 -4.211 -4.422 1.00 0.00 C ATOM 151 OH TYR A 10 -6.425 -4.320 -5.796 1.00 0.00 O ATOM 0 H TYR A 10 -6.243 -1.347 0.264 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.667 -2.940 -0.322 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.757 -3.609 0.284 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -7.016 -4.827 0.312 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.692 -4.643 -1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.590 -3.357 -1.738 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.555 -4.843 -4.322 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.460 -3.559 -4.206 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.527 -4.068 -6.096 1.00 0.00 H new ATOM 161 N ASP A 11 -9.388 -2.883 2.075 1.00 0.00 N ATOM 162 CA ASP A 11 -9.821 -2.976 3.464 1.00 0.00 C ATOM 163 C ASP A 11 -9.539 -4.358 4.039 1.00 0.00 C ATOM 164 O ASP A 11 -10.407 -5.229 4.049 1.00 0.00 O ATOM 165 CB ASP A 11 -11.312 -2.684 3.568 1.00 0.00 C ATOM 166 CG ASP A 11 -11.579 -1.213 3.263 1.00 0.00 C ATOM 167 OD1 ASP A 11 -10.994 -0.708 2.319 1.00 0.00 O ATOM 168 OD2 ASP A 11 -12.366 -0.614 3.978 1.00 0.00 O ATOM 0 H ASP A 11 -10.145 -2.787 1.399 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.259 -2.239 4.037 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.864 -3.314 2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.669 -2.927 4.569 1.00 0.00 H new ATOM 173 N LEU A 12 -8.323 -4.539 4.534 1.00 0.00 N ATOM 174 CA LEU A 12 -7.915 -5.810 5.130 1.00 0.00 C ATOM 175 C LEU A 12 -8.838 -6.162 6.298 1.00 0.00 C ATOM 176 O LEU A 12 -9.515 -5.297 6.853 1.00 0.00 O ATOM 177 CB LEU A 12 -6.445 -5.702 5.610 1.00 0.00 C ATOM 178 CG LEU A 12 -5.483 -6.449 4.660 1.00 0.00 C ATOM 179 CD1 LEU A 12 -5.757 -6.077 3.188 1.00 0.00 C ATOM 180 CD2 LEU A 12 -4.031 -6.087 5.023 1.00 0.00 C ATOM 0 H LEU A 12 -7.598 -3.822 4.536 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.989 -6.603 4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.157 -4.652 5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.358 -6.114 6.615 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.642 -7.521 4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.066 -6.617 2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.781 -6.346 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.618 -5.004 3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.347 -6.612 4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.887 -5.012 4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.829 -6.381 6.053 1.00 0.00 H new ATOM 192 N GLN A 13 -8.850 -7.440 6.664 1.00 0.00 N ATOM 193 CA GLN A 13 -9.685 -7.901 7.765 1.00 0.00 C ATOM 194 C GLN A 13 -9.051 -7.541 9.105 1.00 0.00 C ATOM 195 O GLN A 13 -9.722 -7.520 10.136 1.00 0.00 O ATOM 196 CB GLN A 13 -9.873 -9.417 7.678 1.00 0.00 C ATOM 197 CG GLN A 13 -8.507 -10.106 7.740 1.00 0.00 C ATOM 198 CD GLN A 13 -8.666 -11.603 7.501 1.00 0.00 C ATOM 199 OE1 GLN A 13 -9.552 -12.026 6.641 1.00 0.00 O flip ATOM 200 NE2 GLN A 13 -7.965 -12.408 8.113 1.00 0.00 N flip ATOM 0 H GLN A 13 -8.295 -8.170 6.217 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.655 -7.410 7.691 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.504 -9.763 8.496 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.382 -9.678 6.750 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.841 -9.679 6.991 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.047 -9.932 8.712 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.273 -12.075 8.785 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.076 -13.409 7.949 1.00 0.00 H new ATOM 209 N ASP A 14 -7.751 -7.260 9.081 1.00 0.00 N ATOM 210 CA ASP A 14 -7.032 -6.902 10.300 1.00 0.00 C ATOM 211 C ASP A 14 -7.268 -5.435 10.649 1.00 0.00 C ATOM 212 O ASP A 14 -6.576 -4.872 11.497 1.00 0.00 O ATOM 213 CB ASP A 14 -5.536 -7.149 10.114 1.00 0.00 C ATOM 214 CG ASP A 14 -4.807 -6.963 11.440 1.00 0.00 C ATOM 215 OD1 ASP A 14 -4.849 -7.876 12.251 1.00 0.00 O ATOM 216 OD2 ASP A 14 -4.219 -5.912 11.630 1.00 0.00 O ATOM 0 H ASP A 14 -7.177 -7.273 8.238 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.404 -7.523 11.115 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.370 -8.158 9.737 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.135 -6.461 9.370 1.00 0.00 H new ATOM 221 N GLY A 15 -8.247 -4.824 9.989 1.00 0.00 N ATOM 222 CA GLY A 15 -8.564 -3.423 10.239 1.00 0.00 C ATOM 223 C GLY A 15 -7.584 -2.506 9.513 1.00 0.00 C ATOM 224 O GLY A 15 -7.813 -1.302 9.403 1.00 0.00 O ATOM 0 H GLY A 15 -8.830 -5.273 9.283 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.581 -3.211 9.908 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.530 -3.224 11.310 1.00 0.00 H new ATOM 228 N SER A 16 -6.494 -3.085 9.021 1.00 0.00 N ATOM 229 CA SER A 16 -5.486 -2.310 8.306 1.00 0.00 C ATOM 230 C SER A 16 -5.981 -1.950 6.908 1.00 0.00 C ATOM 231 O SER A 16 -7.105 -2.286 6.532 1.00 0.00 O ATOM 232 CB SER A 16 -4.190 -3.111 8.199 1.00 0.00 C ATOM 233 OG SER A 16 -4.487 -4.426 7.751 1.00 0.00 O ATOM 0 H SER A 16 -6.287 -4.080 9.103 1.00 0.00 H new ATOM 0 HA SER A 16 -5.299 -1.391 8.862 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.504 -2.624 7.505 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.691 -3.148 9.167 1.00 0.00 H new ATOM 0 HG SER A 16 -3.688 -4.987 7.831 1.00 0.00 H new ATOM 239 N LYS A 17 -5.135 -1.265 6.142 1.00 0.00 N ATOM 240 CA LYS A 17 -5.493 -0.861 4.784 1.00 0.00 C ATOM 241 C LYS A 17 -4.245 -0.753 3.917 1.00 0.00 C ATOM 242 O LYS A 17 -3.322 -0.005 4.237 1.00 0.00 O ATOM 243 CB LYS A 17 -6.209 0.491 4.807 1.00 0.00 C ATOM 244 CG LYS A 17 -7.575 0.342 5.477 1.00 0.00 C ATOM 245 CD LYS A 17 -8.389 1.622 5.271 1.00 0.00 C ATOM 246 CE LYS A 17 -9.744 1.484 5.965 1.00 0.00 C ATOM 247 NZ LYS A 17 -10.542 0.421 5.292 1.00 0.00 N ATOM 0 H LYS A 17 -4.201 -0.979 6.436 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.158 -1.617 4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.607 1.223 5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.331 0.866 3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.107 -0.511 5.056 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.450 0.146 6.542 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.848 2.478 5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.531 1.807 4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.602 1.236 7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.280 2.432 5.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.432 0.826 4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.999 0.031 4.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.753 -0.337 5.972 1.00 0.00 H new ATOM 261 N VAL A 18 -4.224 -1.499 2.818 1.00 0.00 N ATOM 262 CA VAL A 18 -3.077 -1.469 1.915 1.00 0.00 C ATOM 263 C VAL A 18 -3.165 -0.252 0.992 1.00 0.00 C ATOM 264 O VAL A 18 -4.252 0.263 0.728 1.00 0.00 O ATOM 265 CB VAL A 18 -3.020 -2.748 1.057 1.00 0.00 C ATOM 266 CG1 VAL A 18 -1.582 -3.004 0.594 1.00 0.00 C ATOM 267 CG2 VAL A 18 -3.503 -3.960 1.859 1.00 0.00 C ATOM 0 H VAL A 18 -4.977 -2.125 2.532 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.174 -1.407 2.522 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.670 -2.605 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.551 -3.910 -0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.235 -2.158 0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.936 -3.126 1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.455 -4.852 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.867 -4.094 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.532 -3.797 2.180 1.00 0.00 H new ATOM 277 N HIS A 19 -2.015 0.193 0.497 1.00 0.00 N ATOM 278 CA HIS A 19 -1.957 1.341 -0.408 1.00 0.00 C ATOM 279 C HIS A 19 -0.875 1.091 -1.462 1.00 0.00 C ATOM 280 O HIS A 19 0.301 0.961 -1.129 1.00 0.00 O ATOM 281 CB HIS A 19 -1.669 2.619 0.419 1.00 0.00 C ATOM 282 CG HIS A 19 -0.796 3.589 -0.340 1.00 0.00 C ATOM 283 ND1 HIS A 19 -1.306 4.468 -1.282 1.00 0.00 N ATOM 284 CD2 HIS A 19 0.555 3.823 -0.299 1.00 0.00 C ATOM 285 CE1 HIS A 19 -0.276 5.185 -1.767 1.00 0.00 C ATOM 286 NE2 HIS A 19 0.882 4.831 -1.202 1.00 0.00 N ATOM 0 H HIS A 19 -1.108 -0.223 0.706 1.00 0.00 H new ATOM 0 HA HIS A 19 -2.907 1.478 -0.925 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.610 3.103 0.680 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.181 2.345 1.354 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.258 3.305 0.337 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.373 5.953 -2.521 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.807 5.217 -1.392 1.00 0.00 H new ATOM 295 N VAL A 20 -1.277 1.011 -2.734 1.00 0.00 N ATOM 296 CA VAL A 20 -0.318 0.762 -3.812 1.00 0.00 C ATOM 297 C VAL A 20 0.208 2.080 -4.383 1.00 0.00 C ATOM 298 O VAL A 20 -0.442 3.120 -4.278 1.00 0.00 O ATOM 299 CB VAL A 20 -0.936 -0.111 -4.944 1.00 0.00 C ATOM 300 CG1 VAL A 20 -1.943 -1.136 -4.380 1.00 0.00 C ATOM 301 CG2 VAL A 20 -1.641 0.775 -5.982 1.00 0.00 C ATOM 0 H VAL A 20 -2.245 1.113 -3.039 1.00 0.00 H new ATOM 0 HA VAL A 20 0.516 0.207 -3.383 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.119 -0.652 -5.420 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.355 -1.728 -5.197 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.436 -1.794 -3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.750 -0.610 -3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.067 0.149 -6.766 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.436 1.341 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.920 1.465 -6.421 1.00 0.00 H new ATOM 311 N PHE A 21 1.393 2.020 -4.990 1.00 0.00 N ATOM 312 CA PHE A 21 2.015 3.201 -5.588 1.00 0.00 C ATOM 313 C PHE A 21 1.788 3.217 -7.097 1.00 0.00 C ATOM 314 O PHE A 21 0.907 2.528 -7.608 1.00 0.00 O ATOM 315 CB PHE A 21 3.516 3.195 -5.293 1.00 0.00 C ATOM 316 CG PHE A 21 3.733 3.272 -3.802 1.00 0.00 C ATOM 317 CD1 PHE A 21 3.758 4.516 -3.163 1.00 0.00 C ATOM 318 CD2 PHE A 21 3.908 2.099 -3.057 1.00 0.00 C ATOM 319 CE1 PHE A 21 3.958 4.589 -1.780 1.00 0.00 C ATOM 320 CE2 PHE A 21 4.107 2.171 -1.673 1.00 0.00 C ATOM 321 CZ PHE A 21 4.132 3.417 -1.034 1.00 0.00 C ATOM 0 H PHE A 21 1.942 1.165 -5.081 1.00 0.00 H new ATOM 0 HA PHE A 21 1.561 4.093 -5.157 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.973 2.289 -5.692 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.998 4.039 -5.786 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.623 5.421 -3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.889 1.138 -3.550 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.978 5.550 -1.288 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.241 1.266 -1.099 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.285 3.474 0.034 1.00 0.00 H new ATOM 331 N LYS A 22 2.590 4.007 -7.806 1.00 0.00 N ATOM 332 CA LYS A 22 2.466 4.103 -9.256 1.00 0.00 C ATOM 333 C LYS A 22 3.036 2.859 -9.930 1.00 0.00 C ATOM 334 O LYS A 22 2.584 2.464 -11.005 1.00 0.00 O ATOM 335 CB LYS A 22 3.206 5.343 -9.760 1.00 0.00 C ATOM 336 CG LYS A 22 3.000 5.484 -11.270 1.00 0.00 C ATOM 337 CD LYS A 22 3.616 6.800 -11.750 1.00 0.00 C ATOM 338 CE LYS A 22 3.440 6.925 -13.263 1.00 0.00 C ATOM 339 NZ LYS A 22 4.214 5.850 -13.944 1.00 0.00 N ATOM 0 H LYS A 22 3.327 4.586 -7.403 1.00 0.00 H new ATOM 0 HA LYS A 22 1.408 4.182 -9.506 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.838 6.232 -9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.269 5.262 -9.534 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.460 4.644 -11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.936 5.461 -11.506 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.139 7.641 -11.247 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.675 6.833 -11.493 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.385 6.849 -13.524 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.782 7.903 -13.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.395 6.124 -14.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.120 5.710 -13.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.669 4.964 -13.925 1.00 0.00 H new ATOM 353 N ASP A 23 4.029 2.248 -9.294 1.00 0.00 N ATOM 354 CA ASP A 23 4.652 1.049 -9.847 1.00 0.00 C ATOM 355 C ASP A 23 3.769 -0.172 -9.609 1.00 0.00 C ATOM 356 O ASP A 23 4.223 -1.310 -9.723 1.00 0.00 O ATOM 357 CB ASP A 23 6.020 0.826 -9.198 1.00 0.00 C ATOM 358 CG ASP A 23 6.719 -0.359 -9.857 1.00 0.00 C ATOM 359 OD1 ASP A 23 6.426 -0.628 -11.011 1.00 0.00 O ATOM 360 OD2 ASP A 23 7.539 -0.979 -9.199 1.00 0.00 O ATOM 0 H ASP A 23 4.418 2.558 -8.404 1.00 0.00 H new ATOM 0 HA ASP A 23 4.777 1.189 -10.921 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.631 1.723 -9.300 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.900 0.641 -8.130 1.00 0.00 H new ATOM 365 N GLY A 24 2.505 0.074 -9.279 1.00 0.00 N ATOM 366 CA GLY A 24 1.566 -1.013 -9.028 1.00 0.00 C ATOM 367 C GLY A 24 1.937 -1.773 -7.759 1.00 0.00 C ATOM 368 O GLY A 24 1.175 -2.616 -7.283 1.00 0.00 O ATOM 0 H GLY A 24 2.110 1.009 -9.180 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.557 -0.612 -8.934 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.560 -1.697 -9.877 1.00 0.00 H new ATOM 372 N LYS A 25 3.110 -1.469 -7.212 1.00 0.00 N ATOM 373 CA LYS A 25 3.565 -2.129 -5.994 1.00 0.00 C ATOM 374 C LYS A 25 2.632 -1.782 -4.839 1.00 0.00 C ATOM 375 O LYS A 25 2.109 -0.673 -4.776 1.00 0.00 O ATOM 376 CB LYS A 25 4.993 -1.657 -5.678 1.00 0.00 C ATOM 377 CG LYS A 25 5.996 -2.313 -6.650 1.00 0.00 C ATOM 378 CD LYS A 25 6.467 -3.665 -6.100 1.00 0.00 C ATOM 379 CE LYS A 25 7.169 -4.450 -7.210 1.00 0.00 C ATOM 380 NZ LYS A 25 7.639 -5.759 -6.672 1.00 0.00 N ATOM 0 H LYS A 25 3.757 -0.776 -7.589 1.00 0.00 H new ATOM 0 HA LYS A 25 3.559 -3.210 -6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.052 -0.572 -5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.250 -1.913 -4.650 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.529 -2.453 -7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.852 -1.655 -6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.147 -3.512 -5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.617 -4.232 -5.721 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.486 -4.612 -8.044 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.013 -3.879 -7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.116 -6.293 -7.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.305 -5.594 -5.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.824 -6.304 -6.324 1.00 0.00 H new ATOM 394 N MET A 26 2.428 -2.738 -3.936 1.00 0.00 N ATOM 395 CA MET A 26 1.548 -2.536 -2.785 1.00 0.00 C ATOM 396 C MET A 26 2.260 -1.767 -1.672 1.00 0.00 C ATOM 397 O MET A 26 3.438 -1.429 -1.780 1.00 0.00 O ATOM 398 CB MET A 26 1.049 -3.899 -2.245 1.00 0.00 C ATOM 399 CG MET A 26 -0.346 -4.204 -2.793 1.00 0.00 C ATOM 400 SD MET A 26 -0.787 -5.918 -2.401 1.00 0.00 S ATOM 401 CE MET A 26 -1.368 -6.411 -4.041 1.00 0.00 C ATOM 0 H MET A 26 2.860 -3.661 -3.978 1.00 0.00 H new ATOM 0 HA MET A 26 0.694 -1.946 -3.117 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.742 -4.689 -2.534 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.024 -3.880 -1.155 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.076 -3.521 -2.359 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.367 -4.049 -3.872 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.691 -7.452 -4.015 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.206 -5.779 -4.336 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.558 -6.300 -4.762 1.00 0.00 H new ATOM 411 N GLY A 27 1.518 -1.511 -0.599 1.00 0.00 N ATOM 412 CA GLY A 27 2.051 -0.796 0.557 1.00 0.00 C ATOM 413 C GLY A 27 1.286 -1.200 1.808 1.00 0.00 C ATOM 414 O GLY A 27 0.058 -1.133 1.839 1.00 0.00 O ATOM 0 H GLY A 27 0.541 -1.789 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.111 -1.021 0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.969 0.280 0.401 1.00 0.00 H new ATOM 418 N MET A 28 2.007 -1.645 2.833 1.00 0.00 N ATOM 419 CA MET A 28 1.374 -2.087 4.071 1.00 0.00 C ATOM 420 C MET A 28 1.280 -0.958 5.095 1.00 0.00 C ATOM 421 O MET A 28 2.120 -0.841 5.986 1.00 0.00 O ATOM 422 CB MET A 28 2.182 -3.246 4.657 1.00 0.00 C ATOM 423 CG MET A 28 1.386 -3.932 5.767 1.00 0.00 C ATOM 424 SD MET A 28 -0.084 -4.759 5.086 1.00 0.00 S ATOM 425 CE MET A 28 -1.193 -4.454 6.484 1.00 0.00 C ATOM 0 H MET A 28 3.025 -1.709 2.831 1.00 0.00 H new ATOM 0 HA MET A 28 0.358 -2.408 3.840 1.00 0.00 H new ATOM 0 HB2 MET A 28 2.422 -3.965 3.874 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.128 -2.877 5.052 1.00 0.00 H new ATOM 0 HG2 MET A 28 2.016 -4.661 6.276 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.083 -3.196 6.512 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.827 -5.326 6.642 1.00 0.00 H new ATOM 0 HE2 MET A 28 -0.604 -4.266 7.382 1.00 0.00 H new ATOM 0 HE3 MET A 28 -1.817 -3.586 6.271 1.00 0.00 H new ATOM 435 N GLU A 29 0.234 -0.137 4.969 1.00 0.00 N ATOM 436 CA GLU A 29 0.006 0.977 5.894 1.00 0.00 C ATOM 437 C GLU A 29 -1.215 0.685 6.762 1.00 0.00 C ATOM 438 O GLU A 29 -2.346 0.692 6.275 1.00 0.00 O ATOM 439 CB GLU A 29 -0.222 2.268 5.107 1.00 0.00 C ATOM 440 CG GLU A 29 -0.359 3.443 6.080 1.00 0.00 C ATOM 441 CD GLU A 29 -0.475 4.751 5.306 1.00 0.00 C ATOM 442 OE1 GLU A 29 -0.864 4.700 4.149 1.00 0.00 O ATOM 443 OE2 GLU A 29 -0.174 5.785 5.879 1.00 0.00 O ATOM 0 H GLU A 29 -0.469 -0.223 4.235 1.00 0.00 H new ATOM 0 HA GLU A 29 0.882 1.095 6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.610 2.442 4.425 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.121 2.181 4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.238 3.304 6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.505 3.479 6.743 1.00 0.00 H new ATOM 450 N ASN A 30 -0.985 0.414 8.044 1.00 0.00 N ATOM 451 CA ASN A 30 -2.085 0.106 8.952 1.00 0.00 C ATOM 452 C ASN A 30 -3.075 1.271 9.021 1.00 0.00 C ATOM 453 O ASN A 30 -3.043 2.175 8.187 1.00 0.00 O ATOM 454 CB ASN A 30 -1.533 -0.239 10.351 1.00 0.00 C ATOM 455 CG ASN A 30 -1.313 1.019 11.193 1.00 0.00 C ATOM 456 OD1 ASN A 30 -1.145 2.169 10.606 1.00 0.00 O flip ATOM 457 ND2 ASN A 30 -1.291 0.945 12.422 1.00 0.00 N flip ATOM 0 H ASN A 30 -0.060 0.401 8.473 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.623 -0.761 8.570 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.228 -0.904 10.864 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.592 -0.779 10.249 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.423 0.044 12.881 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.141 1.785 12.981 1.00 0.00 H new ATOM 464 N LYS A 31 -3.959 1.237 10.017 1.00 0.00 N ATOM 465 CA LYS A 31 -4.959 2.290 10.180 1.00 0.00 C ATOM 466 C LYS A 31 -4.370 3.512 10.889 1.00 0.00 C ATOM 467 O LYS A 31 -4.854 4.629 10.716 1.00 0.00 O ATOM 468 CB LYS A 31 -6.190 1.754 10.946 1.00 0.00 C ATOM 469 CG LYS A 31 -5.947 1.672 12.472 1.00 0.00 C ATOM 470 CD LYS A 31 -4.847 0.653 12.812 1.00 0.00 C ATOM 471 CE LYS A 31 -5.226 -0.745 12.297 1.00 0.00 C ATOM 472 NZ LYS A 31 -6.701 -0.939 12.395 1.00 0.00 N ATOM 0 H LYS A 31 -4.003 0.498 10.718 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.279 2.605 9.187 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.045 2.401 10.752 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.447 0.764 10.568 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.664 2.654 12.850 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.873 1.391 12.975 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.903 0.967 12.367 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.695 0.620 13.891 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.903 -0.861 11.262 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.710 -1.509 12.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.921 -1.955 12.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.045 -0.541 13.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.168 -0.456 11.601 1.00 0.00 H new ATOM 486 N PHE A 32 -3.328 3.292 11.688 1.00 0.00 N ATOM 487 CA PHE A 32 -2.692 4.388 12.419 1.00 0.00 C ATOM 488 C PHE A 32 -1.661 5.093 11.543 1.00 0.00 C ATOM 489 O PHE A 32 -0.785 5.799 12.044 1.00 0.00 O ATOM 490 CB PHE A 32 -2.008 3.848 13.677 1.00 0.00 C ATOM 491 CG PHE A 32 -1.662 4.992 14.599 1.00 0.00 C ATOM 492 CD1 PHE A 32 -2.644 5.540 15.435 1.00 0.00 C ATOM 493 CD2 PHE A 32 -0.361 5.510 14.618 1.00 0.00 C ATOM 494 CE1 PHE A 32 -2.324 6.601 16.289 1.00 0.00 C ATOM 495 CE2 PHE A 32 -0.041 6.572 15.472 1.00 0.00 C ATOM 496 CZ PHE A 32 -1.023 7.117 16.308 1.00 0.00 C ATOM 0 H PHE A 32 -2.909 2.375 11.845 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.463 5.105 12.701 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.666 3.144 14.186 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.105 3.301 13.405 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.648 5.143 15.420 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.396 5.090 13.973 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.081 7.022 16.934 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.963 6.971 15.486 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.777 7.936 16.968 1.00 0.00 H new ATOM 506 N GLY A 33 -1.768 4.897 10.234 1.00 0.00 N ATOM 507 CA GLY A 33 -0.836 5.517 9.298 1.00 0.00 C ATOM 508 C GLY A 33 0.567 4.950 9.484 1.00 0.00 C ATOM 509 O GLY A 33 1.514 5.374 8.820 1.00 0.00 O ATOM 0 H GLY A 33 -2.486 4.318 9.798 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.171 5.345 8.275 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.821 6.596 9.452 1.00 0.00 H new ATOM 513 N LYS A 34 0.689 3.986 10.390 1.00 0.00 N ATOM 514 CA LYS A 34 1.975 3.354 10.662 1.00 0.00 C ATOM 515 C LYS A 34 2.263 2.275 9.626 1.00 0.00 C ATOM 516 O LYS A 34 1.404 1.449 9.319 1.00 0.00 O ATOM 517 CB LYS A 34 1.963 2.731 12.060 1.00 0.00 C ATOM 518 CG LYS A 34 3.397 2.422 12.498 1.00 0.00 C ATOM 519 CD LYS A 34 3.371 1.498 13.718 1.00 0.00 C ATOM 520 CE LYS A 34 2.523 2.132 14.822 1.00 0.00 C ATOM 521 NZ LYS A 34 2.805 3.593 14.890 1.00 0.00 N ATOM 0 H LYS A 34 -0.085 3.626 10.948 1.00 0.00 H new ATOM 0 HA LYS A 34 2.755 4.114 10.610 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.495 3.414 12.769 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.368 1.817 12.057 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.944 1.949 11.682 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.922 3.346 12.740 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.961 0.526 13.443 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.385 1.325 14.078 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.464 1.964 14.623 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.746 1.663 15.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.624 3.937 15.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.800 3.766 14.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.189 4.097 14.221 1.00 0.00 H new ATOM 535 N SER A 35 3.478 2.287 9.090 1.00 0.00 N ATOM 536 CA SER A 35 3.871 1.304 8.087 1.00 0.00 C ATOM 537 C SER A 35 4.308 0.002 8.748 1.00 0.00 C ATOM 538 O SER A 35 5.341 -0.050 9.416 1.00 0.00 O ATOM 539 CB SER A 35 5.016 1.857 7.242 1.00 0.00 C ATOM 540 OG SER A 35 5.678 0.781 6.594 1.00 0.00 O ATOM 0 H SER A 35 4.204 2.962 9.331 1.00 0.00 H new ATOM 0 HA SER A 35 3.010 1.100 7.450 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.632 2.561 6.504 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.717 2.405 7.871 1.00 0.00 H new ATOM 0 HG SER A 35 5.015 0.194 6.175 1.00 0.00 H new ATOM 546 N MET A 36 3.517 -1.052 8.551 1.00 0.00 N ATOM 547 CA MET A 36 3.832 -2.362 9.124 1.00 0.00 C ATOM 548 C MET A 36 4.611 -3.196 8.113 1.00 0.00 C ATOM 549 O MET A 36 4.082 -3.577 7.071 1.00 0.00 O ATOM 550 CB MET A 36 2.539 -3.087 9.506 1.00 0.00 C ATOM 551 CG MET A 36 1.933 -2.432 10.749 1.00 0.00 C ATOM 552 SD MET A 36 0.433 -3.324 11.228 1.00 0.00 S ATOM 553 CE MET A 36 1.227 -4.543 12.305 1.00 0.00 C ATOM 0 H MET A 36 2.658 -1.026 8.002 1.00 0.00 H new ATOM 0 HA MET A 36 4.441 -2.222 10.017 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.830 -3.048 8.679 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.744 -4.140 9.700 1.00 0.00 H new ATOM 0 HG2 MET A 36 2.653 -2.443 11.567 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.699 -1.387 10.545 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.471 -5.211 12.718 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.948 -5.123 11.729 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.741 -4.030 13.118 1.00 0.00 H new ATOM 563 N ASN A 37 5.875 -3.465 8.420 1.00 0.00 N ATOM 564 CA ASN A 37 6.719 -4.238 7.516 1.00 0.00 C ATOM 565 C ASN A 37 6.212 -5.666 7.357 1.00 0.00 C ATOM 566 O ASN A 37 6.586 -6.556 8.121 1.00 0.00 O ATOM 567 CB ASN A 37 8.159 -4.270 8.031 1.00 0.00 C ATOM 568 CG ASN A 37 9.060 -4.943 7.002 1.00 0.00 C ATOM 569 OD1 ASN A 37 8.781 -6.152 6.596 1.00 0.00 O flip ATOM 570 ND2 ASN A 37 10.044 -4.353 6.558 1.00 0.00 N flip ATOM 0 H ASN A 37 6.335 -3.163 9.279 1.00 0.00 H new ATOM 0 HA ASN A 37 6.685 -3.749 6.542 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.508 -3.256 8.226 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.205 -4.810 8.977 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.259 -3.408 6.877 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.645 -4.808 5.871 1.00 0.00 H new ATOM 577 N MET A 38 5.382 -5.882 6.339 1.00 0.00 N ATOM 578 CA MET A 38 4.847 -7.213 6.055 1.00 0.00 C ATOM 579 C MET A 38 5.682 -7.847 4.928 1.00 0.00 C ATOM 580 O MET A 38 5.849 -7.229 3.877 1.00 0.00 O ATOM 581 CB MET A 38 3.375 -7.097 5.628 1.00 0.00 C ATOM 582 CG MET A 38 2.853 -8.460 5.175 1.00 0.00 C ATOM 583 SD MET A 38 1.074 -8.381 4.827 1.00 0.00 S ATOM 584 CE MET A 38 0.464 -8.553 6.520 1.00 0.00 C ATOM 0 H MET A 38 5.065 -5.155 5.698 1.00 0.00 H new ATOM 0 HA MET A 38 4.901 -7.839 6.945 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.775 -6.726 6.459 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.279 -6.374 4.818 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.389 -8.782 4.283 1.00 0.00 H new ATOM 0 HG3 MET A 38 3.045 -9.204 5.948 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.020 -9.540 6.648 1.00 0.00 H new ATOM 0 HE2 MET A 38 1.292 -8.434 7.219 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.288 -7.789 6.715 1.00 0.00 H new ATOM 594 N PRO A 39 6.225 -9.038 5.103 1.00 0.00 N ATOM 595 CA PRO A 39 7.060 -9.680 4.043 1.00 0.00 C ATOM 596 C PRO A 39 6.226 -10.112 2.838 1.00 0.00 C ATOM 597 O PRO A 39 5.014 -10.300 2.944 1.00 0.00 O ATOM 598 CB PRO A 39 7.700 -10.885 4.754 1.00 0.00 C ATOM 599 CG PRO A 39 6.753 -11.224 5.858 1.00 0.00 C ATOM 600 CD PRO A 39 6.115 -9.902 6.297 1.00 0.00 C ATOM 0 HA PRO A 39 7.801 -8.995 3.631 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.828 -11.725 4.071 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.688 -10.636 5.142 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.994 -11.928 5.517 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.277 -11.698 6.688 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.076 -10.040 6.595 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.637 -9.471 7.151 1.00 0.00 H new ATOM 608 N GLU A 40 6.887 -10.261 1.695 1.00 0.00 N ATOM 609 CA GLU A 40 6.204 -10.662 0.474 1.00 0.00 C ATOM 610 C GLU A 40 5.781 -12.124 0.545 1.00 0.00 C ATOM 611 O GLU A 40 6.590 -13.026 0.329 1.00 0.00 O ATOM 612 CB GLU A 40 7.124 -10.447 -0.729 1.00 0.00 C ATOM 613 CG GLU A 40 6.436 -10.952 -1.996 1.00 0.00 C ATOM 614 CD GLU A 40 7.192 -10.468 -3.228 1.00 0.00 C ATOM 615 OE1 GLU A 40 6.937 -9.354 -3.656 1.00 0.00 O ATOM 616 OE2 GLU A 40 8.018 -11.217 -3.726 1.00 0.00 O ATOM 0 H GLU A 40 7.890 -10.111 1.590 1.00 0.00 H new ATOM 0 HA GLU A 40 5.310 -10.049 0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.365 -9.389 -0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.065 -10.975 -0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.396 -12.041 -1.988 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.406 -10.595 -2.028 1.00 0.00 H new ATOM 623 N GLY A 41 4.505 -12.349 0.846 1.00 0.00 N ATOM 624 CA GLY A 41 3.974 -13.707 0.938 1.00 0.00 C ATOM 625 C GLY A 41 2.835 -13.780 1.948 1.00 0.00 C ATOM 626 O GLY A 41 2.029 -14.710 1.921 1.00 0.00 O ATOM 0 H GLY A 41 3.822 -11.614 1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.618 -14.029 -0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.769 -14.393 1.230 1.00 0.00 H new ATOM 630 N LYS A 42 2.769 -12.794 2.838 1.00 0.00 N ATOM 631 CA LYS A 42 1.717 -12.768 3.847 1.00 0.00 C ATOM 632 C LYS A 42 0.385 -12.417 3.194 1.00 0.00 C ATOM 633 O LYS A 42 -0.035 -11.261 3.174 1.00 0.00 O ATOM 634 CB LYS A 42 2.074 -11.752 4.949 1.00 0.00 C ATOM 635 CG LYS A 42 2.849 -12.442 6.093 1.00 0.00 C ATOM 636 CD LYS A 42 1.869 -12.988 7.139 1.00 0.00 C ATOM 637 CE LYS A 42 2.568 -14.039 8.006 1.00 0.00 C ATOM 638 NZ LYS A 42 1.601 -14.586 8.999 1.00 0.00 N ATOM 0 H LYS A 42 3.423 -12.012 2.881 1.00 0.00 H new ATOM 0 HA LYS A 42 1.627 -13.753 4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.676 -10.947 4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.164 -11.298 5.341 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.456 -13.254 5.693 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.533 -11.733 6.559 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.500 -12.175 7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.003 -13.429 6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.957 -14.842 7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.420 -13.594 8.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.075 -15.300 9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.251 -13.815 9.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.801 -15.025 8.499 1.00 0.00 H new ATOM 652 N VAL A 43 -0.263 -13.440 2.658 1.00 0.00 N ATOM 653 CA VAL A 43 -1.546 -13.271 1.990 1.00 0.00 C ATOM 654 C VAL A 43 -2.474 -12.372 2.798 1.00 0.00 C ATOM 655 O VAL A 43 -2.778 -12.657 3.955 1.00 0.00 O ATOM 656 CB VAL A 43 -2.213 -14.637 1.796 1.00 0.00 C ATOM 657 CG1 VAL A 43 -3.352 -14.517 0.777 1.00 0.00 C ATOM 658 CG2 VAL A 43 -1.176 -15.645 1.291 1.00 0.00 C ATOM 0 H VAL A 43 0.080 -14.401 2.673 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.363 -12.803 1.023 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.618 -14.979 2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.823 -15.490 0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.091 -13.803 1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.952 -14.172 -0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.650 -16.617 1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.768 -15.302 0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.371 -15.735 2.020 1.00 0.00 H new ATOM 668 N MET A 44 -2.945 -11.297 2.167 1.00 0.00 N ATOM 669 CA MET A 44 -3.867 -10.370 2.816 1.00 0.00 C ATOM 670 C MET A 44 -5.272 -10.636 2.284 1.00 0.00 C ATOM 671 O MET A 44 -5.428 -11.144 1.174 1.00 0.00 O ATOM 672 CB MET A 44 -3.446 -8.925 2.521 1.00 0.00 C ATOM 673 CG MET A 44 -1.984 -8.714 2.923 1.00 0.00 C ATOM 674 SD MET A 44 -1.450 -7.038 2.468 1.00 0.00 S ATOM 675 CE MET A 44 -1.610 -7.198 0.675 1.00 0.00 C ATOM 0 H MET A 44 -2.703 -11.048 1.208 1.00 0.00 H new ATOM 0 HA MET A 44 -3.851 -10.515 3.896 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.575 -8.709 1.460 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.086 -8.232 3.068 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.868 -8.862 3.997 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.352 -9.452 2.429 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.905 -6.526 0.185 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.397 -8.226 0.381 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.625 -6.939 0.376 1.00 0.00 H new ATOM 685 N GLU A 45 -6.297 -10.325 3.077 1.00 0.00 N ATOM 686 CA GLU A 45 -7.681 -10.574 2.652 1.00 0.00 C ATOM 687 C GLU A 45 -8.589 -9.400 2.992 1.00 0.00 C ATOM 688 O GLU A 45 -8.656 -8.962 4.141 1.00 0.00 O ATOM 689 CB GLU A 45 -8.211 -11.837 3.334 1.00 0.00 C ATOM 690 CG GLU A 45 -9.611 -12.154 2.805 1.00 0.00 C ATOM 691 CD GLU A 45 -10.069 -13.510 3.328 1.00 0.00 C ATOM 692 OE1 GLU A 45 -9.839 -13.783 4.495 1.00 0.00 O ATOM 693 OE2 GLU A 45 -10.644 -14.259 2.555 1.00 0.00 O ATOM 0 H GLU A 45 -6.203 -9.907 4.003 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.680 -10.704 1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.540 -12.675 3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.243 -11.694 4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.311 -11.379 3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.605 -12.158 1.715 1.00 0.00 H new ATOM 700 N THR A 46 -9.296 -8.902 1.981 1.00 0.00 N ATOM 701 CA THR A 46 -10.210 -7.783 2.183 1.00 0.00 C ATOM 702 C THR A 46 -11.478 -8.244 2.894 1.00 0.00 C ATOM 703 O THR A 46 -11.751 -9.441 2.984 1.00 0.00 O ATOM 704 CB THR A 46 -10.575 -7.151 0.830 1.00 0.00 C ATOM 705 OG1 THR A 46 -10.888 -8.185 -0.091 1.00 0.00 O ATOM 706 CG2 THR A 46 -9.397 -6.322 0.278 1.00 0.00 C ATOM 0 H THR A 46 -9.254 -9.251 1.024 1.00 0.00 H new ATOM 0 HA THR A 46 -9.711 -7.041 2.806 1.00 0.00 H new ATOM 0 HB THR A 46 -11.431 -6.491 0.969 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.294 -7.796 -0.894 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.678 -5.884 -0.680 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.150 -5.527 0.982 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.530 -6.968 0.141 1.00 0.00 H new ATOM 714 N ARG A 47 -12.250 -7.285 3.394 1.00 0.00 N ATOM 715 CA ARG A 47 -13.490 -7.601 4.094 1.00 0.00 C ATOM 716 C ARG A 47 -14.381 -8.481 3.223 1.00 0.00 C ATOM 717 O ARG A 47 -15.040 -9.395 3.717 1.00 0.00 O ATOM 718 CB ARG A 47 -14.233 -6.313 4.455 1.00 0.00 C ATOM 719 CG ARG A 47 -14.344 -5.419 3.217 1.00 0.00 C ATOM 720 CD ARG A 47 -15.016 -4.100 3.600 1.00 0.00 C ATOM 721 NE ARG A 47 -15.214 -3.273 2.416 1.00 0.00 N ATOM 722 CZ ARG A 47 -16.185 -3.537 1.547 1.00 0.00 C ATOM 723 NH1 ARG A 47 -16.981 -4.553 1.748 1.00 0.00 N ATOM 724 NH2 ARG A 47 -16.341 -2.785 0.493 1.00 0.00 N ATOM 0 H ARG A 47 -12.041 -6.289 3.328 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.244 -8.141 5.008 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -15.227 -6.549 4.836 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.704 -5.787 5.250 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.354 -5.228 2.803 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.922 -5.923 2.442 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.975 -4.298 4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.401 -3.568 4.326 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.597 -2.478 2.251 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.857 -5.143 2.571 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.726 -4.757 1.082 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.718 -1.993 0.335 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -17.086 -2.989 -0.173 1.00 0.00 H new ATOM 738 N ASP A 48 -14.391 -8.200 1.924 1.00 0.00 N ATOM 739 CA ASP A 48 -15.201 -8.975 0.993 1.00 0.00 C ATOM 740 C ASP A 48 -14.647 -10.389 0.860 1.00 0.00 C ATOM 741 O ASP A 48 -15.396 -11.365 0.883 1.00 0.00 O ATOM 742 CB ASP A 48 -15.213 -8.298 -0.380 1.00 0.00 C ATOM 743 CG ASP A 48 -15.729 -6.869 -0.251 1.00 0.00 C ATOM 744 OD1 ASP A 48 -16.691 -6.670 0.472 1.00 0.00 O ATOM 745 OD2 ASP A 48 -15.153 -5.993 -0.876 1.00 0.00 O ATOM 0 H ASP A 48 -13.852 -7.448 1.495 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.219 -9.027 1.379 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.208 -8.294 -0.802 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -15.845 -8.861 -1.067 1.00 0.00 H new ATOM 750 N GLY A 49 -13.325 -10.491 0.724 1.00 0.00 N ATOM 751 CA GLY A 49 -12.661 -11.790 0.591 1.00 0.00 C ATOM 752 C GLY A 49 -11.760 -11.819 -0.639 1.00 0.00 C ATOM 753 O GLY A 49 -11.613 -12.857 -1.285 1.00 0.00 O ATOM 0 H GLY A 49 -12.692 -9.691 0.703 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.070 -11.994 1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.409 -12.579 0.517 1.00 0.00 H new ATOM 757 N THR A 50 -11.155 -10.677 -0.959 1.00 0.00 N ATOM 758 CA THR A 50 -10.267 -10.592 -2.117 1.00 0.00 C ATOM 759 C THR A 50 -8.860 -11.042 -1.736 1.00 0.00 C ATOM 760 O THR A 50 -8.343 -10.669 -0.685 1.00 0.00 O ATOM 761 CB THR A 50 -10.223 -9.152 -2.647 1.00 0.00 C ATOM 762 OG1 THR A 50 -11.535 -8.606 -2.634 1.00 0.00 O ATOM 763 CG2 THR A 50 -9.683 -9.144 -4.080 1.00 0.00 C ATOM 0 H THR A 50 -11.261 -9.806 -0.439 1.00 0.00 H new ATOM 0 HA THR A 50 -10.652 -11.248 -2.898 1.00 0.00 H new ATOM 0 HB THR A 50 -9.569 -8.553 -2.013 1.00 0.00 H new ATOM 0 HG1 THR A 50 -11.510 -7.686 -2.970 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.654 -8.120 -4.452 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.677 -9.564 -4.092 1.00 0.00 H new ATOM 0 HG23 THR A 50 -10.334 -9.743 -4.717 1.00 0.00 H new ATOM 771 N LYS A 51 -8.250 -11.855 -2.594 1.00 0.00 N ATOM 772 CA LYS A 51 -6.903 -12.362 -2.338 1.00 0.00 C ATOM 773 C LYS A 51 -5.848 -11.402 -2.878 1.00 0.00 C ATOM 774 O LYS A 51 -5.661 -11.286 -4.089 1.00 0.00 O ATOM 775 CB LYS A 51 -6.734 -13.734 -2.996 1.00 0.00 C ATOM 776 CG LYS A 51 -5.306 -14.239 -2.773 1.00 0.00 C ATOM 777 CD LYS A 51 -5.221 -15.711 -3.183 1.00 0.00 C ATOM 778 CE LYS A 51 -3.801 -16.228 -2.943 1.00 0.00 C ATOM 779 NZ LYS A 51 -3.786 -17.713 -3.058 1.00 0.00 N ATOM 0 H LYS A 51 -8.664 -12.176 -3.469 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.769 -12.452 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.450 -14.440 -2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.943 -13.665 -4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.603 -13.646 -3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.027 -14.124 -1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.936 -16.301 -2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.487 -15.822 -4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.116 -15.790 -3.668 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.455 -15.926 -1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.821 -18.064 -2.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.428 -18.123 -2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.099 -17.991 -4.010 1.00 0.00 H new ATOM 793 N ILE A 52 -5.153 -10.726 -1.965 1.00 0.00 N ATOM 794 CA ILE A 52 -4.097 -9.779 -2.335 1.00 0.00 C ATOM 795 C ILE A 52 -2.821 -10.108 -1.571 1.00 0.00 C ATOM 796 O ILE A 52 -2.791 -10.061 -0.341 1.00 0.00 O ATOM 797 CB ILE A 52 -4.527 -8.337 -2.004 1.00 0.00 C ATOM 798 CG1 ILE A 52 -5.231 -8.299 -0.611 1.00 0.00 C ATOM 799 CG2 ILE A 52 -5.445 -7.809 -3.113 1.00 0.00 C ATOM 800 CD1 ILE A 52 -6.738 -8.085 -0.738 1.00 0.00 C ATOM 0 H ILE A 52 -5.301 -10.815 -0.960 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.918 -9.861 -3.407 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.650 -7.692 -1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.041 -9.233 -0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.801 -7.499 -0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.749 -6.789 -2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.911 -7.819 -4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.329 -8.443 -3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.188 -8.065 0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.930 -7.138 -1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.174 -8.899 -1.317 1.00 0.00 H new ATOM 812 N ILE A 53 -1.771 -10.432 -2.308 1.00 0.00 N ATOM 813 CA ILE A 53 -0.486 -10.761 -1.697 1.00 0.00 C ATOM 814 C ILE A 53 0.312 -9.493 -1.438 1.00 0.00 C ATOM 815 O ILE A 53 0.253 -8.543 -2.220 1.00 0.00 O ATOM 816 CB ILE A 53 0.314 -11.683 -2.622 1.00 0.00 C ATOM 817 CG1 ILE A 53 -0.611 -12.766 -3.183 1.00 0.00 C ATOM 818 CG2 ILE A 53 1.457 -12.334 -1.841 1.00 0.00 C ATOM 819 CD1 ILE A 53 -1.369 -13.456 -2.045 1.00 0.00 C ATOM 0 H ILE A 53 -1.779 -10.475 -3.327 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.672 -11.269 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 53 0.731 -11.100 -3.443 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.318 -12.323 -3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.028 -13.500 -3.739 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.023 -12.989 -2.503 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.115 -11.560 -1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.048 -12.918 -1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.023 -14.224 -2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.657 -13.916 -1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.967 -12.720 -1.507 1.00 0.00 H new ATOM 831 N MET A 54 1.071 -9.482 -0.351 1.00 0.00 N ATOM 832 CA MET A 54 1.884 -8.315 -0.036 1.00 0.00 C ATOM 833 C MET A 54 2.963 -8.161 -1.099 1.00 0.00 C ATOM 834 O MET A 54 4.127 -8.486 -0.879 1.00 0.00 O ATOM 835 CB MET A 54 2.510 -8.455 1.357 1.00 0.00 C ATOM 836 CG MET A 54 3.216 -7.149 1.740 1.00 0.00 C ATOM 837 SD MET A 54 1.996 -5.845 2.071 1.00 0.00 S ATOM 838 CE MET A 54 2.917 -4.460 1.347 1.00 0.00 C ATOM 0 H MET A 54 1.141 -10.251 0.316 1.00 0.00 H new ATOM 0 HA MET A 54 1.255 -7.425 -0.029 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.739 -8.692 2.091 1.00 0.00 H new ATOM 0 HB3 MET A 54 3.222 -9.280 1.365 1.00 0.00 H new ATOM 0 HG2 MET A 54 3.836 -7.308 2.622 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.881 -6.838 0.935 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.221 -3.673 1.055 1.00 0.00 H new ATOM 0 HE2 MET A 54 3.621 -4.068 2.081 1.00 0.00 H new ATOM 0 HE3 MET A 54 3.463 -4.805 0.469 1.00 0.00 H new ATOM 848 N LYS A 55 2.550 -7.674 -2.261 1.00 0.00 N ATOM 849 CA LYS A 55 3.464 -7.488 -3.381 1.00 0.00 C ATOM 850 C LYS A 55 4.542 -6.466 -3.043 1.00 0.00 C ATOM 851 O LYS A 55 5.700 -6.812 -2.810 1.00 0.00 O ATOM 852 CB LYS A 55 2.672 -7.017 -4.610 1.00 0.00 C ATOM 853 CG LYS A 55 3.542 -7.102 -5.878 1.00 0.00 C ATOM 854 CD LYS A 55 3.466 -8.515 -6.493 1.00 0.00 C ATOM 855 CE LYS A 55 2.254 -8.620 -7.428 1.00 0.00 C ATOM 856 NZ LYS A 55 2.363 -7.593 -8.504 1.00 0.00 N ATOM 0 H LYS A 55 1.587 -7.400 -2.453 1.00 0.00 H new ATOM 0 HA LYS A 55 3.951 -8.440 -3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.780 -7.631 -4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.335 -5.991 -4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.206 -6.364 -6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.576 -6.861 -5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.381 -8.729 -7.046 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.390 -9.261 -5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.205 -9.617 -7.866 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.333 -8.474 -6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.101 -8.017 -9.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.722 -6.801 -8.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.341 -7.243 -8.552 1.00 0.00 H new ATOM 870 N GLY A 56 4.147 -5.204 -3.038 1.00 0.00 N ATOM 871 CA GLY A 56 5.061 -4.112 -2.750 1.00 0.00 C ATOM 872 C GLY A 56 5.563 -4.149 -1.311 1.00 0.00 C ATOM 873 O GLY A 56 5.113 -3.369 -0.472 1.00 0.00 O ATOM 0 H GLY A 56 3.190 -4.909 -3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.910 -4.162 -3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.560 -3.162 -2.934 1.00 0.00 H new ATOM 877 N ASN A 57 6.510 -5.036 -1.028 1.00 0.00 N ATOM 878 CA ASN A 57 7.065 -5.124 0.317 1.00 0.00 C ATOM 879 C ASN A 57 7.906 -3.883 0.595 1.00 0.00 C ATOM 880 O ASN A 57 8.413 -3.693 1.700 1.00 0.00 O ATOM 881 CB ASN A 57 7.928 -6.379 0.460 1.00 0.00 C ATOM 882 CG ASN A 57 8.577 -6.408 1.841 1.00 0.00 C ATOM 883 OD1 ASN A 57 7.998 -5.793 2.838 1.00 0.00 O flip ATOM 884 ND2 ASN A 57 9.638 -7.007 2.018 1.00 0.00 N flip ATOM 0 H ASN A 57 6.904 -5.695 -1.700 1.00 0.00 H new ATOM 0 HA ASN A 57 6.248 -5.184 1.036 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.316 -7.270 0.317 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.696 -6.393 -0.313 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.089 -7.487 1.239 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.066 -7.024 2.944 1.00 0.00 H new ATOM 891 N GLU A 58 8.037 -3.042 -0.427 1.00 0.00 N ATOM 892 CA GLU A 58 8.809 -1.809 -0.309 1.00 0.00 C ATOM 893 C GLU A 58 7.960 -0.714 0.325 1.00 0.00 C ATOM 894 O GLU A 58 7.498 0.201 -0.356 1.00 0.00 O ATOM 895 CB GLU A 58 9.276 -1.357 -1.696 1.00 0.00 C ATOM 896 CG GLU A 58 10.144 -2.449 -2.324 1.00 0.00 C ATOM 897 CD GLU A 58 10.772 -1.937 -3.616 1.00 0.00 C ATOM 898 OE1 GLU A 58 10.089 -1.950 -4.627 1.00 0.00 O ATOM 899 OE2 GLU A 58 11.924 -1.541 -3.575 1.00 0.00 O ATOM 0 H GLU A 58 7.619 -3.192 -1.345 1.00 0.00 H new ATOM 0 HA GLU A 58 9.676 -1.997 0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.415 -1.152 -2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.842 -0.429 -1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.924 -2.751 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.540 -3.333 -2.529 1.00 0.00 H new ATOM 906 N ILE A 59 7.751 -0.824 1.631 1.00 0.00 N ATOM 907 CA ILE A 59 6.943 0.152 2.352 1.00 0.00 C ATOM 908 C ILE A 59 7.688 1.476 2.518 1.00 0.00 C ATOM 909 O ILE A 59 7.070 2.539 2.566 1.00 0.00 O ATOM 910 CB ILE A 59 6.572 -0.401 3.727 1.00 0.00 C ATOM 911 CG1 ILE A 59 7.824 -0.972 4.403 1.00 0.00 C ATOM 912 CG2 ILE A 59 5.534 -1.514 3.568 1.00 0.00 C ATOM 913 CD1 ILE A 59 7.557 -1.197 5.895 1.00 0.00 C ATOM 0 H ILE A 59 8.127 -1.575 2.210 1.00 0.00 H new ATOM 0 HA ILE A 59 6.040 0.339 1.771 1.00 0.00 H new ATOM 0 HB ILE A 59 6.158 0.401 4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.106 -1.912 3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.662 -0.287 4.274 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.270 -1.908 4.549 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.642 -1.114 3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.950 -2.314 2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.452 -1.603 6.368 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.297 -0.249 6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.733 -1.900 6.015 1.00 0.00 H new ATOM 925 N PHE A 60 9.012 1.410 2.616 1.00 0.00 N ATOM 926 CA PHE A 60 9.809 2.617 2.788 1.00 0.00 C ATOM 927 C PHE A 60 9.409 3.675 1.765 1.00 0.00 C ATOM 928 O PHE A 60 9.524 4.873 2.020 1.00 0.00 O ATOM 929 CB PHE A 60 11.299 2.292 2.652 1.00 0.00 C ATOM 930 CG PHE A 60 11.590 1.756 1.269 1.00 0.00 C ATOM 931 CD1 PHE A 60 11.708 2.636 0.186 1.00 0.00 C ATOM 932 CD2 PHE A 60 11.748 0.379 1.071 1.00 0.00 C ATOM 933 CE1 PHE A 60 11.985 2.140 -1.093 1.00 0.00 C ATOM 934 CE2 PHE A 60 12.024 -0.117 -0.207 1.00 0.00 C ATOM 935 CZ PHE A 60 12.142 0.763 -1.291 1.00 0.00 C ATOM 0 H PHE A 60 9.550 0.544 2.580 1.00 0.00 H new ATOM 0 HA PHE A 60 9.623 3.012 3.787 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.893 3.188 2.836 1.00 0.00 H new ATOM 0 HB3 PHE A 60 11.589 1.558 3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 60 11.585 3.698 0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 60 11.657 -0.300 1.906 1.00 0.00 H new ATOM 0 HE1 PHE A 60 12.078 2.820 -1.927 1.00 0.00 H new ATOM 0 HE2 PHE A 60 12.146 -1.179 -0.359 1.00 0.00 H new ATOM 0 HZ PHE A 60 12.354 0.379 -2.278 1.00 0.00 H new ATOM 945 N ARG A 61 8.938 3.226 0.607 1.00 0.00 N ATOM 946 CA ARG A 61 8.521 4.147 -0.444 1.00 0.00 C ATOM 947 C ARG A 61 7.509 5.151 0.103 1.00 0.00 C ATOM 948 O ARG A 61 7.507 6.319 -0.285 1.00 0.00 O ATOM 949 CB ARG A 61 7.902 3.361 -1.609 1.00 0.00 C ATOM 950 CG ARG A 61 7.344 4.320 -2.673 1.00 0.00 C ATOM 951 CD ARG A 61 8.429 5.305 -3.125 1.00 0.00 C ATOM 952 NE ARG A 61 8.100 5.846 -4.438 1.00 0.00 N ATOM 953 CZ ARG A 61 8.198 5.099 -5.533 1.00 0.00 C ATOM 954 NH1 ARG A 61 8.595 3.860 -5.445 1.00 0.00 N ATOM 955 NH2 ARG A 61 7.899 5.606 -6.698 1.00 0.00 N ATOM 0 H ARG A 61 8.836 2.238 0.373 1.00 0.00 H new ATOM 0 HA ARG A 61 9.395 4.691 -0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.654 2.711 -2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.104 2.718 -1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.980 3.752 -3.529 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.493 4.867 -2.268 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.519 6.115 -2.402 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.395 4.802 -3.162 1.00 0.00 H new ATOM 0 HE ARG A 61 7.789 6.814 -4.518 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.831 3.463 -4.535 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.670 3.288 -6.286 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.590 6.576 -6.768 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.974 5.033 -7.538 1.00 0.00 H new ATOM 969 N LEU A 62 6.651 4.688 1.007 1.00 0.00 N ATOM 970 CA LEU A 62 5.637 5.553 1.602 1.00 0.00 C ATOM 971 C LEU A 62 6.274 6.836 2.129 1.00 0.00 C ATOM 972 O LEU A 62 5.820 7.938 1.818 1.00 0.00 O ATOM 973 CB LEU A 62 4.930 4.809 2.743 1.00 0.00 C ATOM 974 CG LEU A 62 3.989 5.754 3.504 1.00 0.00 C ATOM 975 CD1 LEU A 62 3.048 6.468 2.525 1.00 0.00 C ATOM 976 CD2 LEU A 62 3.161 4.936 4.501 1.00 0.00 C ATOM 0 H LEU A 62 6.637 3.725 1.342 1.00 0.00 H new ATOM 0 HA LEU A 62 4.906 5.819 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.363 3.969 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.670 4.395 3.428 1.00 0.00 H new ATOM 0 HG LEU A 62 4.580 6.502 4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.386 7.135 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.635 7.048 1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.453 5.729 1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.489 5.599 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.576 4.190 3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.828 4.436 5.204 1.00 0.00 H new ATOM 988 N ASP A 63 7.326 6.688 2.928 1.00 0.00 N ATOM 989 CA ASP A 63 8.012 7.847 3.489 1.00 0.00 C ATOM 990 C ASP A 63 9.273 7.417 4.238 1.00 0.00 C ATOM 991 O ASP A 63 10.211 6.900 3.633 1.00 0.00 O ATOM 992 CB ASP A 63 7.074 8.598 4.436 1.00 0.00 C ATOM 993 CG ASP A 63 6.508 7.639 5.479 1.00 0.00 C ATOM 994 OD1 ASP A 63 6.591 6.441 5.260 1.00 0.00 O ATOM 995 OD2 ASP A 63 5.999 8.116 6.480 1.00 0.00 O ATOM 0 H ASP A 63 7.719 5.787 3.200 1.00 0.00 H new ATOM 0 HA ASP A 63 8.303 8.507 2.672 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.613 9.407 4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.261 9.054 3.870 1.00 0.00 H new ATOM 1000 N GLU A 64 9.280 7.638 5.558 1.00 0.00 N ATOM 1001 CA GLU A 64 10.422 7.279 6.408 1.00 0.00 C ATOM 1002 C GLU A 64 11.748 7.415 5.654 1.00 0.00 C ATOM 1003 O GLU A 64 12.151 6.515 4.918 1.00 0.00 O ATOM 1004 CB GLU A 64 10.260 5.847 6.942 1.00 0.00 C ATOM 1005 CG GLU A 64 9.719 4.933 5.841 1.00 0.00 C ATOM 1006 CD GLU A 64 9.668 3.493 6.342 1.00 0.00 C ATOM 1007 OE1 GLU A 64 10.617 3.077 6.985 1.00 0.00 O ATOM 1008 OE2 GLU A 64 8.679 2.829 6.076 1.00 0.00 O ATOM 0 H GLU A 64 8.504 8.066 6.063 1.00 0.00 H new ATOM 0 HA GLU A 64 10.442 7.973 7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.220 5.472 7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.581 5.843 7.795 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.723 5.259 5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.354 4.998 4.957 1.00 0.00 H new ATOM 1015 N ALA A 65 12.416 8.548 5.847 1.00 0.00 N ATOM 1016 CA ALA A 65 13.692 8.798 5.187 1.00 0.00 C ATOM 1017 C ALA A 65 13.531 8.731 3.671 1.00 0.00 C ATOM 1018 O ALA A 65 14.512 8.605 2.938 1.00 0.00 O ATOM 1019 CB ALA A 65 14.732 7.772 5.642 1.00 0.00 C ATOM 0 H ALA A 65 12.097 9.304 6.452 1.00 0.00 H new ATOM 0 HA ALA A 65 14.031 9.797 5.462 1.00 0.00 H new ATOM 0 HB1 ALA A 65 15.680 7.969 5.142 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.868 7.846 6.721 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.389 6.769 5.387 1.00 0.00 H new ATOM 1025 N LEU A 66 12.288 8.825 3.210 1.00 0.00 N ATOM 1026 CA LEU A 66 12.001 8.780 1.780 1.00 0.00 C ATOM 1027 C LEU A 66 12.581 7.513 1.153 1.00 0.00 C ATOM 1028 O LEU A 66 11.865 6.535 0.936 1.00 0.00 O ATOM 1029 CB LEU A 66 12.587 10.023 1.095 1.00 0.00 C ATOM 1030 CG LEU A 66 12.480 9.902 -0.434 1.00 0.00 C ATOM 1031 CD1 LEU A 66 11.053 9.513 -0.834 1.00 0.00 C ATOM 1032 CD2 LEU A 66 12.838 11.248 -1.069 1.00 0.00 C ATOM 0 H LEU A 66 11.465 8.932 3.803 1.00 0.00 H new ATOM 0 HA LEU A 66 10.920 8.767 1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.057 10.914 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.631 10.145 1.383 1.00 0.00 H new ATOM 0 HG LEU A 66 13.167 9.131 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.989 9.430 -1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.797 8.555 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.357 10.276 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.764 11.170 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.148 12.013 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.857 11.521 -0.793 1.00 0.00 H new ATOM 1044 N ARG A 67 13.877 7.542 0.861 1.00 0.00 N ATOM 1045 CA ARG A 67 14.537 6.391 0.254 1.00 0.00 C ATOM 1046 C ARG A 67 13.881 6.040 -1.077 1.00 0.00 C ATOM 1047 O ARG A 67 12.990 5.191 -1.135 1.00 0.00 O ATOM 1048 CB ARG A 67 14.465 5.188 1.195 1.00 0.00 C ATOM 1049 CG ARG A 67 14.891 5.613 2.602 1.00 0.00 C ATOM 1050 CD ARG A 67 15.062 4.372 3.479 1.00 0.00 C ATOM 1051 NE ARG A 67 15.618 4.742 4.775 1.00 0.00 N ATOM 1052 CZ ARG A 67 15.800 3.836 5.730 1.00 0.00 C ATOM 1053 NH1 ARG A 67 15.481 2.588 5.514 1.00 0.00 N ATOM 1054 NH2 ARG A 67 16.298 4.192 6.883 1.00 0.00 N ATOM 0 H ARG A 67 14.487 8.342 1.033 1.00 0.00 H new ATOM 0 HA ARG A 67 15.581 6.647 0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.451 4.789 1.216 1.00 0.00 H new ATOM 0 HB3 ARG A 67 15.114 4.390 0.833 1.00 0.00 H new ATOM 0 HG2 ARG A 67 15.826 6.172 2.557 1.00 0.00 H new ATOM 0 HG3 ARG A 67 14.143 6.277 3.035 1.00 0.00 H new ATOM 0 HD2 ARG A 67 14.099 3.879 3.616 1.00 0.00 H new ATOM 0 HD3 ARG A 67 15.719 3.656 2.985 1.00 0.00 H new ATOM 0 HE ARG A 67 15.872 5.714 4.952 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.093 2.310 4.613 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.620 1.892 6.246 1.00 0.00 H new ATOM 0 HH21 ARG A 67 16.548 5.166 7.052 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.437 3.496 7.615 1.00 0.00 H new ATOM 1068 N LYS A 68 14.327 6.695 -2.144 1.00 0.00 N ATOM 1069 CA LYS A 68 13.775 6.443 -3.470 1.00 0.00 C ATOM 1070 C LYS A 68 12.274 6.718 -3.484 1.00 0.00 C ATOM 1071 O LYS A 68 11.492 5.981 -2.885 1.00 0.00 O ATOM 1072 CB LYS A 68 14.035 4.988 -3.878 1.00 0.00 C ATOM 1073 CG LYS A 68 13.726 4.789 -5.374 1.00 0.00 C ATOM 1074 CD LYS A 68 14.942 5.173 -6.229 1.00 0.00 C ATOM 1075 CE LYS A 68 14.674 4.805 -7.688 1.00 0.00 C ATOM 1076 NZ LYS A 68 15.864 5.151 -8.515 1.00 0.00 N ATOM 0 H LYS A 68 15.064 7.400 -2.117 1.00 0.00 H new ATOM 0 HA LYS A 68 14.263 7.111 -4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.074 4.727 -3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.416 4.319 -3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.456 3.750 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 68 12.867 5.397 -5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.138 6.242 -6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.831 4.655 -5.869 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.457 3.740 -7.771 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.797 5.339 -8.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.682 4.901 -9.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.051 6.172 -8.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.691 4.623 -8.171 1.00 0.00 H new ATOM 1090 N GLY A 69 11.879 7.785 -4.175 1.00 0.00 N ATOM 1091 CA GLY A 69 10.469 8.148 -4.261 1.00 0.00 C ATOM 1092 C GLY A 69 10.304 9.577 -4.765 1.00 0.00 C ATOM 1093 O GLY A 69 11.069 10.467 -4.395 1.00 0.00 O ATOM 0 H GLY A 69 12.510 8.408 -4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.953 7.460 -4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.003 8.048 -3.281 1.00 0.00 H new ATOM 1097 N HIS A 70 9.302 9.788 -5.611 1.00 0.00 N ATOM 1098 CA HIS A 70 9.046 11.114 -6.162 1.00 0.00 C ATOM 1099 C HIS A 70 10.326 11.713 -6.736 1.00 0.00 C ATOM 1100 O HIS A 70 10.376 12.898 -7.067 1.00 0.00 O ATOM 1101 CB HIS A 70 8.495 12.036 -5.071 1.00 0.00 C ATOM 1102 CG HIS A 70 7.307 11.384 -4.416 1.00 0.00 C ATOM 1103 ND1 HIS A 70 6.070 11.308 -5.037 1.00 0.00 N ATOM 1104 CD2 HIS A 70 7.154 10.773 -3.196 1.00 0.00 C ATOM 1105 CE1 HIS A 70 5.234 10.672 -4.196 1.00 0.00 C ATOM 1106 NE2 HIS A 70 5.844 10.324 -3.060 1.00 0.00 N ATOM 0 H HIS A 70 8.658 9.064 -5.929 1.00 0.00 H new ATOM 0 HA HIS A 70 8.312 11.018 -6.962 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.267 12.240 -4.329 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.206 12.995 -5.502 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.931 10.658 -2.455 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.196 10.468 -4.413 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.437 9.834 -2.263 1.00 0.00 H new ATOM 1114 N SER A 71 11.360 10.886 -6.852 1.00 0.00 N ATOM 1115 CA SER A 71 12.636 11.344 -7.388 1.00 0.00 C ATOM 1116 C SER A 71 12.540 11.554 -8.896 1.00 0.00 C ATOM 1117 O SER A 71 13.460 11.215 -9.639 1.00 0.00 O ATOM 1118 CB SER A 71 13.730 10.319 -7.083 1.00 0.00 C ATOM 1119 OG SER A 71 13.400 9.084 -7.704 1.00 0.00 O ATOM 0 H SER A 71 11.340 9.902 -6.584 1.00 0.00 H new ATOM 0 HA SER A 71 12.886 12.294 -6.915 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.693 10.677 -7.448 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.828 10.183 -6.006 1.00 0.00 H new ATOM 0 HG SER A 71 14.099 8.425 -7.513 1.00 0.00 H new ATOM 1125 N GLU A 72 11.420 12.116 -9.339 1.00 0.00 N ATOM 1126 CA GLU A 72 11.215 12.365 -10.761 1.00 0.00 C ATOM 1127 C GLU A 72 12.355 13.203 -11.328 1.00 0.00 C ATOM 1128 O GLU A 72 12.265 14.430 -11.396 1.00 0.00 O ATOM 1129 CB GLU A 72 9.887 13.096 -10.976 1.00 0.00 C ATOM 1130 CG GLU A 72 8.737 12.230 -10.458 1.00 0.00 C ATOM 1131 CD GLU A 72 7.401 12.905 -10.753 1.00 0.00 C ATOM 1132 OE1 GLU A 72 7.339 14.119 -10.647 1.00 0.00 O ATOM 1133 OE2 GLU A 72 6.463 12.198 -11.080 1.00 0.00 O ATOM 0 H GLU A 72 10.647 12.405 -8.740 1.00 0.00 H new ATOM 0 HA GLU A 72 11.191 11.406 -11.279 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.898 14.053 -10.455 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.746 13.311 -12.035 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.769 11.248 -10.930 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.845 12.072 -9.385 1.00 0.00 H new ATOM 1140 N GLY A 73 13.429 12.533 -11.735 1.00 0.00 N ATOM 1141 CA GLY A 73 14.583 13.228 -12.295 1.00 0.00 C ATOM 1142 C GLY A 73 15.700 12.244 -12.630 1.00 0.00 C ATOM 1143 O GLY A 73 15.838 11.205 -11.986 1.00 0.00 O ATOM 0 H GLY A 73 13.524 11.519 -11.688 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.286 13.768 -13.194 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.947 13.969 -11.584 1.00 0.00 H new ATOM 1147 N GLY A 74 16.493 12.581 -13.642 1.00 0.00 N ATOM 1148 CA GLY A 74 17.595 11.719 -14.054 1.00 0.00 C ATOM 1149 C GLY A 74 17.083 10.350 -14.488 1.00 0.00 C ATOM 1150 O GLY A 74 17.862 9.410 -14.456 1.00 0.00 O ATOM 1151 OXT GLY A 74 15.920 10.260 -14.846 1.00 0.00 O ATOM 0 H GLY A 74 16.395 13.437 -14.188 1.00 0.00 H new ATOM 0 HA2 GLY A 74 18.139 12.185 -14.875 1.00 0.00 H new ATOM 0 HA3 GLY A 74 18.299 11.604 -13.230 1.00 0.00 H new TER 1155 GLY A 74 HETATM 1156 CU CU1 A 101 0.443 -6.497 3.654 1.00 0.00 CU HETATM 1157 CU CU A 102 4.667 10.790 -6.365 1.00 0.00 CU HETATM 1158 O HOH A 201 5.859 9.340 -7.056 1.00 0.00 O