USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 717 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 79 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0.00691 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 48 SER OG : rot 9:sc= 0.564 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -55:sc= 0.652 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HE2:sc= -0.389 X(o=-0.39,f=-0.85) USER MOD Single : A 10 THR OG1 : rot -120:sc= -1.02 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 24:sc= -1.09 USER MOD Single : A 16 ASN : amide:sc= -2 K(o=-2,f=-0.36) USER MOD Single : A 20 ASN : amide:sc= -1.55 K(o=-1.5,f=-5.2!) USER MOD Single : A 21 LYS NZ :NH3+ -135:sc= 1.06 (180deg=-2.26!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -1.7 USER MOD Single : A 28 ASN : amide:sc= -2.03! K(o=-2!,f=-0.4) USER MOD Single : A 34 SER OG : rot 80:sc= -2.12! USER MOD Single : A 36 ASN : amide:sc= 0.126 X(o=0.13,f=0) USER MOD Single : A 37 CYS SG : rot 93:sc= 0.506 USER MOD Single : A 40 LYS NZ :NH3+ -149:sc= -0.183 (180deg=-1.41!) USER MOD Single : A 43 SER OG : rot 22:sc= 1.06 USER MOD Single : A 47 CYS SG : rot -64:sc= 0.172 USER MOD Single : A 55 ASN : amide:sc= -1.29 K(o=-1.3,f=-3) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 58 SER OG : rot -150:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.0283 K(o=-0.028,f=-3.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -122:sc= -3! (180deg=-5.69!) USER MOD Single : A 68 ASN : amide:sc= -0.0196 X(o=-0.02,f=-0.1) USER MOD Single : A 74 ASN : amide:sc= 0.00977 X(o=0.0098,f=-0.2) USER MOD Single : A 83 LYS NZ :NH3+ -104:sc= -1.35! (180deg=-2.79!) USER MOD Single : A 84 ASN : amide:sc= -3.61! C(o=-3.6!,f=-5.5!) USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.166 4.908 -18.097 1.00 0.00 N ATOM 2 CA GLY A 1 11.152 5.535 -17.237 1.00 0.00 C ATOM 3 C GLY A 1 10.567 5.975 -15.909 1.00 0.00 C ATOM 4 O GLY A 1 10.690 5.273 -14.906 1.00 0.00 O ATOM 0 H1 GLY A 1 10.615 4.625 -18.991 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.777 4.067 -17.624 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.398 5.581 -18.293 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.969 4.837 -17.057 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.578 6.399 -17.747 1.00 0.00 H new ATOM 8 N SER A 2 9.930 7.142 -15.902 1.00 0.00 N ATOM 9 CA SER A 2 9.328 7.678 -14.687 1.00 0.00 C ATOM 10 C SER A 2 10.398 7.998 -13.647 1.00 0.00 C ATOM 11 O SER A 2 10.241 7.693 -12.465 1.00 0.00 O ATOM 12 CB SER A 2 8.321 6.681 -14.109 1.00 0.00 C ATOM 13 OG SER A 2 7.648 7.229 -12.989 1.00 0.00 O ATOM 0 H SER A 2 9.818 7.734 -16.725 1.00 0.00 H new ATOM 0 HA SER A 2 8.808 8.601 -14.945 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.596 6.406 -14.875 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.837 5.767 -13.816 1.00 0.00 H new ATOM 0 HG SER A 2 8.305 7.520 -12.323 1.00 0.00 H new ATOM 19 N SER A 3 11.486 8.614 -14.097 1.00 0.00 N ATOM 20 CA SER A 3 12.585 8.973 -13.207 1.00 0.00 C ATOM 21 C SER A 3 12.393 10.379 -12.647 1.00 0.00 C ATOM 22 O SER A 3 12.704 11.370 -13.307 1.00 0.00 O ATOM 23 CB SER A 3 13.919 8.885 -13.950 1.00 0.00 C ATOM 24 OG SER A 3 14.063 7.631 -14.593 1.00 0.00 O ATOM 0 H SER A 3 11.631 8.875 -15.072 1.00 0.00 H new ATOM 0 HA SER A 3 12.593 8.268 -12.376 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.981 9.685 -14.688 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.740 9.034 -13.249 1.00 0.00 H new ATOM 0 HG SER A 3 14.923 7.601 -15.062 1.00 0.00 H new ATOM 30 N GLY A 4 11.879 10.457 -11.424 1.00 0.00 N ATOM 31 CA GLY A 4 11.654 11.745 -10.794 1.00 0.00 C ATOM 32 C GLY A 4 12.855 12.221 -10.001 1.00 0.00 C ATOM 33 O GLY A 4 13.775 11.448 -9.732 1.00 0.00 O ATOM 0 H GLY A 4 11.614 9.651 -10.858 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.412 12.483 -11.559 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.790 11.677 -10.133 1.00 0.00 H new ATOM 37 N SER A 5 12.849 13.496 -9.628 1.00 0.00 N ATOM 38 CA SER A 5 13.949 14.075 -8.866 1.00 0.00 C ATOM 39 C SER A 5 13.651 14.040 -7.370 1.00 0.00 C ATOM 40 O SER A 5 12.611 14.520 -6.921 1.00 0.00 O ATOM 41 CB SER A 5 14.204 15.516 -9.312 1.00 0.00 C ATOM 42 OG SER A 5 15.127 16.161 -8.452 1.00 0.00 O ATOM 0 H SER A 5 12.094 14.148 -9.841 1.00 0.00 H new ATOM 0 HA SER A 5 14.842 13.480 -9.056 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.588 15.522 -10.332 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.264 16.068 -9.322 1.00 0.00 H new ATOM 0 HG SER A 5 15.274 17.080 -8.760 1.00 0.00 H new ATOM 48 N SER A 6 14.574 13.467 -6.603 1.00 0.00 N ATOM 49 CA SER A 6 14.410 13.364 -5.158 1.00 0.00 C ATOM 50 C SER A 6 13.786 14.635 -4.590 1.00 0.00 C ATOM 51 O SER A 6 14.321 15.731 -4.758 1.00 0.00 O ATOM 52 CB SER A 6 15.760 13.101 -4.488 1.00 0.00 C ATOM 53 OG SER A 6 16.115 11.732 -4.575 1.00 0.00 O ATOM 0 H SER A 6 15.442 13.067 -6.959 1.00 0.00 H new ATOM 0 HA SER A 6 13.741 12.528 -4.951 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.530 13.710 -4.962 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.715 13.402 -3.441 1.00 0.00 H new ATOM 0 HG SER A 6 16.982 11.591 -4.141 1.00 0.00 H new ATOM 59 N GLY A 7 12.651 14.480 -3.916 1.00 0.00 N ATOM 60 CA GLY A 7 11.972 15.623 -3.333 1.00 0.00 C ATOM 61 C GLY A 7 11.162 15.253 -2.107 1.00 0.00 C ATOM 62 O GLY A 7 11.323 14.164 -1.554 1.00 0.00 O ATOM 0 H GLY A 7 12.189 13.583 -3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.708 16.380 -3.063 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.314 16.070 -4.078 1.00 0.00 H new ATOM 66 N CYS A 8 10.291 16.160 -1.679 1.00 0.00 N ATOM 67 CA CYS A 8 9.454 15.924 -0.508 1.00 0.00 C ATOM 68 C CYS A 8 8.446 14.811 -0.775 1.00 0.00 C ATOM 69 O CYS A 8 7.828 14.761 -1.838 1.00 0.00 O ATOM 70 CB CYS A 8 8.723 17.207 -0.111 1.00 0.00 C ATOM 71 SG CYS A 8 9.791 18.472 0.615 1.00 0.00 S ATOM 0 H CYS A 8 10.146 17.066 -2.125 1.00 0.00 H new ATOM 0 HA CYS A 8 10.100 15.614 0.313 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.235 17.622 -0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.936 16.958 0.602 1.00 0.00 H new ATOM 0 HG CYS A 8 9.081 19.519 0.915 1.00 0.00 H new ATOM 77 N HIS A 9 8.287 13.918 0.197 1.00 0.00 N ATOM 78 CA HIS A 9 7.355 12.804 0.067 1.00 0.00 C ATOM 79 C HIS A 9 6.502 12.659 1.324 1.00 0.00 C ATOM 80 O HIS A 9 6.895 13.093 2.407 1.00 0.00 O ATOM 81 CB HIS A 9 8.114 11.504 -0.201 1.00 0.00 C ATOM 82 CG HIS A 9 8.322 11.221 -1.657 1.00 0.00 C ATOM 83 ND1 HIS A 9 9.321 11.811 -2.403 1.00 0.00 N ATOM 84 CD2 HIS A 9 7.654 10.405 -2.505 1.00 0.00 C ATOM 85 CE1 HIS A 9 9.257 11.370 -3.647 1.00 0.00 C ATOM 86 NE2 HIS A 9 8.254 10.515 -3.735 1.00 0.00 N ATOM 0 H HIS A 9 8.792 13.944 1.083 1.00 0.00 H new ATOM 0 HA HIS A 9 6.696 13.011 -0.776 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.084 11.551 0.294 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.567 10.675 0.247 1.00 0.00 H new ATOM 0 HD1 HIS A 9 10.003 12.483 -2.050 1.00 0.00 H new ATOM 0 HD2 HIS A 9 6.806 9.783 -2.260 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.913 11.659 -4.454 1.00 0.00 H new ATOM 94 N THR A 10 5.332 12.047 1.172 1.00 0.00 N ATOM 95 CA THR A 10 4.423 11.846 2.294 1.00 0.00 C ATOM 96 C THR A 10 4.127 10.366 2.504 1.00 0.00 C ATOM 97 O THR A 10 3.452 9.735 1.689 1.00 0.00 O ATOM 98 CB THR A 10 3.096 12.599 2.083 1.00 0.00 C ATOM 99 OG1 THR A 10 3.356 13.966 1.745 1.00 0.00 O ATOM 100 CG2 THR A 10 2.233 12.536 3.334 1.00 0.00 C ATOM 0 H THR A 10 4.991 11.682 0.283 1.00 0.00 H new ATOM 0 HA THR A 10 4.921 12.243 3.179 1.00 0.00 H new ATOM 0 HB THR A 10 2.558 12.119 1.265 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.947 14.552 2.415 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.301 13.075 3.161 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.012 11.495 3.571 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.767 12.993 4.168 1.00 0.00 H new ATOM 108 N LEU A 11 4.634 9.816 3.601 1.00 0.00 N ATOM 109 CA LEU A 11 4.423 8.408 3.919 1.00 0.00 C ATOM 110 C LEU A 11 3.163 8.222 4.760 1.00 0.00 C ATOM 111 O LEU A 11 2.806 9.087 5.561 1.00 0.00 O ATOM 112 CB LEU A 11 5.634 7.846 4.665 1.00 0.00 C ATOM 113 CG LEU A 11 6.932 7.753 3.862 1.00 0.00 C ATOM 114 CD1 LEU A 11 8.136 7.966 4.766 1.00 0.00 C ATOM 115 CD2 LEU A 11 7.026 6.409 3.153 1.00 0.00 C ATOM 0 H LEU A 11 5.194 10.323 4.286 1.00 0.00 H new ATOM 0 HA LEU A 11 4.296 7.865 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.816 8.467 5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.382 6.849 5.027 1.00 0.00 H new ATOM 0 HG LEU A 11 6.927 8.540 3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.050 7.896 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.075 8.952 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.147 7.203 5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.956 6.361 2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.008 5.607 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.181 6.296 2.474 1.00 0.00 H new ATOM 127 N LEU A 12 2.496 7.089 4.574 1.00 0.00 N ATOM 128 CA LEU A 12 1.277 6.788 5.317 1.00 0.00 C ATOM 129 C LEU A 12 1.487 5.600 6.250 1.00 0.00 C ATOM 130 O LEU A 12 2.168 4.636 5.900 1.00 0.00 O ATOM 131 CB LEU A 12 0.127 6.496 4.351 1.00 0.00 C ATOM 132 CG LEU A 12 -0.534 7.715 3.706 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.770 7.300 2.923 1.00 0.00 C ATOM 134 CD2 LEU A 12 -0.893 8.749 4.763 1.00 0.00 C ATOM 0 H LEU A 12 2.778 6.363 3.915 1.00 0.00 H new ATOM 0 HA LEU A 12 1.024 7.660 5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.501 5.848 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.638 5.934 4.887 1.00 0.00 H new ATOM 0 HG LEU A 12 0.177 8.165 3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.227 8.180 2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.486 6.597 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.484 6.825 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.362 9.609 4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.585 8.310 5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.011 9.070 5.280 1.00 0.00 H new ATOM 146 N TYR A 13 0.897 5.676 7.437 1.00 0.00 N ATOM 147 CA TYR A 13 1.019 4.607 8.421 1.00 0.00 C ATOM 148 C TYR A 13 -0.321 3.911 8.639 1.00 0.00 C ATOM 149 O TYR A 13 -1.220 4.456 9.280 1.00 0.00 O ATOM 150 CB TYR A 13 1.540 5.163 9.747 1.00 0.00 C ATOM 151 CG TYR A 13 2.891 5.832 9.635 1.00 0.00 C ATOM 152 CD1 TYR A 13 3.695 5.635 8.519 1.00 0.00 C ATOM 153 CD2 TYR A 13 3.363 6.662 10.644 1.00 0.00 C ATOM 154 CE1 TYR A 13 4.931 6.243 8.412 1.00 0.00 C ATOM 155 CE2 TYR A 13 4.597 7.276 10.545 1.00 0.00 C ATOM 156 CZ TYR A 13 5.377 7.063 9.428 1.00 0.00 C ATOM 157 OH TYR A 13 6.607 7.672 9.325 1.00 0.00 O ATOM 0 H TYR A 13 0.329 6.467 7.742 1.00 0.00 H new ATOM 0 HA TYR A 13 1.730 3.875 8.038 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.820 5.882 10.138 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.605 4.351 10.471 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.348 4.995 7.721 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.755 6.830 11.521 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.544 6.077 7.539 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.949 7.919 11.338 1.00 0.00 H new ATOM 0 HH TYR A 13 6.770 8.216 10.123 1.00 0.00 H new ATOM 167 N VAL A 14 -0.447 2.701 8.102 1.00 0.00 N ATOM 168 CA VAL A 14 -1.675 1.928 8.239 1.00 0.00 C ATOM 169 C VAL A 14 -1.601 0.984 9.433 1.00 0.00 C ATOM 170 O VAL A 14 -0.529 0.483 9.775 1.00 0.00 O ATOM 171 CB VAL A 14 -1.967 1.109 6.968 1.00 0.00 C ATOM 172 CG1 VAL A 14 -3.352 0.484 7.042 1.00 0.00 C ATOM 173 CG2 VAL A 14 -1.833 1.982 5.729 1.00 0.00 C ATOM 0 H VAL A 14 0.287 2.235 7.568 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.483 2.643 8.395 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.235 0.305 6.899 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.541 -0.091 6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.408 -0.176 7.908 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.101 1.270 7.136 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.043 1.387 4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.541 2.808 5.788 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.819 2.377 5.670 1.00 0.00 H new ATOM 183 N TYR A 15 -2.745 0.745 10.064 1.00 0.00 N ATOM 184 CA TYR A 15 -2.809 -0.139 11.222 1.00 0.00 C ATOM 185 C TYR A 15 -4.070 -0.997 11.183 1.00 0.00 C ATOM 186 O TYR A 15 -4.928 -0.820 10.320 1.00 0.00 O ATOM 187 CB TYR A 15 -2.774 0.677 12.515 1.00 0.00 C ATOM 188 CG TYR A 15 -1.650 1.687 12.564 1.00 0.00 C ATOM 189 CD1 TYR A 15 -1.817 2.968 12.052 1.00 0.00 C ATOM 190 CD2 TYR A 15 -0.421 1.360 13.123 1.00 0.00 C ATOM 191 CE1 TYR A 15 -0.792 3.893 12.093 1.00 0.00 C ATOM 192 CE2 TYR A 15 0.609 2.279 13.171 1.00 0.00 C ATOM 193 CZ TYR A 15 0.419 3.544 12.654 1.00 0.00 C ATOM 194 OH TYR A 15 1.442 4.463 12.699 1.00 0.00 O ATOM 0 H TYR A 15 -3.641 1.151 9.793 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.942 -0.798 11.193 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.724 1.198 12.632 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.677 -0.003 13.361 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.765 3.245 11.614 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.268 0.370 13.527 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.938 4.884 11.688 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.558 2.009 13.611 1.00 0.00 H new ATOM 0 HH TYR A 15 1.070 5.369 12.665 1.00 0.00 H new ATOM 204 N ASN A 16 -4.173 -1.928 12.126 1.00 0.00 N ATOM 205 CA ASN A 16 -5.328 -2.815 12.201 1.00 0.00 C ATOM 206 C ASN A 16 -5.494 -3.604 10.905 1.00 0.00 C ATOM 207 O ASN A 16 -6.598 -3.715 10.370 1.00 0.00 O ATOM 208 CB ASN A 16 -6.598 -2.011 12.487 1.00 0.00 C ATOM 209 CG ASN A 16 -6.657 -1.514 13.918 1.00 0.00 C ATOM 210 OD1 ASN A 16 -7.586 -1.832 14.660 1.00 0.00 O ATOM 211 ND2 ASN A 16 -5.661 -0.728 14.313 1.00 0.00 N ATOM 0 H ASN A 16 -3.471 -2.088 12.848 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.160 -3.519 13.016 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.647 -1.160 11.807 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.471 -2.631 12.284 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.646 -0.363 15.265 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.911 -0.490 13.664 1.00 0.00 H new ATOM 218 N LEU A 17 -4.390 -4.149 10.405 1.00 0.00 N ATOM 219 CA LEU A 17 -4.412 -4.928 9.172 1.00 0.00 C ATOM 220 C LEU A 17 -4.702 -6.397 9.461 1.00 0.00 C ATOM 221 O LEU A 17 -4.459 -6.899 10.559 1.00 0.00 O ATOM 222 CB LEU A 17 -3.077 -4.795 8.438 1.00 0.00 C ATOM 223 CG LEU A 17 -2.893 -3.526 7.604 1.00 0.00 C ATOM 224 CD1 LEU A 17 -1.425 -3.134 7.545 1.00 0.00 C ATOM 225 CD2 LEU A 17 -3.451 -3.723 6.202 1.00 0.00 C ATOM 0 H LEU A 17 -3.469 -4.066 10.835 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.209 -4.537 8.539 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.274 -4.842 9.174 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.958 -5.657 7.782 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.445 -2.717 8.083 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.314 -2.229 6.947 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.057 -2.950 8.554 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.851 -3.942 7.091 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.311 -2.810 5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.928 -4.545 5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.514 -3.955 6.263 1.00 0.00 H new ATOM 237 N PRO A 18 -5.232 -7.106 8.453 1.00 0.00 N ATOM 238 CA PRO A 18 -5.564 -8.528 8.574 1.00 0.00 C ATOM 239 C PRO A 18 -4.322 -9.407 8.668 1.00 0.00 C ATOM 240 O PRO A 18 -3.695 -9.723 7.657 1.00 0.00 O ATOM 241 CB PRO A 18 -6.332 -8.824 7.284 1.00 0.00 C ATOM 242 CG PRO A 18 -5.846 -7.806 6.311 1.00 0.00 C ATOM 243 CD PRO A 18 -5.548 -6.572 7.118 1.00 0.00 C ATOM 0 HA PRO A 18 -6.130 -8.738 9.481 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.135 -9.836 6.930 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.408 -8.743 7.437 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.955 -8.157 5.791 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.599 -7.602 5.550 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.711 -6.011 6.701 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.402 -5.895 7.148 1.00 0.00 H new ATOM 251 N ALA A 19 -3.971 -9.800 9.888 1.00 0.00 N ATOM 252 CA ALA A 19 -2.805 -10.645 10.113 1.00 0.00 C ATOM 253 C ALA A 19 -3.017 -12.039 9.532 1.00 0.00 C ATOM 254 O ALA A 19 -2.157 -12.565 8.827 1.00 0.00 O ATOM 255 CB ALA A 19 -2.496 -10.732 11.601 1.00 0.00 C ATOM 0 H ALA A 19 -4.478 -9.546 10.736 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.955 -10.193 9.602 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.623 -11.366 11.755 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.293 -9.734 11.989 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.351 -11.158 12.126 1.00 0.00 H new ATOM 261 N ASN A 20 -4.167 -12.633 9.835 1.00 0.00 N ATOM 262 CA ASN A 20 -4.491 -13.967 9.343 1.00 0.00 C ATOM 263 C ASN A 20 -4.320 -14.045 7.829 1.00 0.00 C ATOM 264 O ASN A 20 -3.804 -15.031 7.301 1.00 0.00 O ATOM 265 CB ASN A 20 -5.924 -14.340 9.726 1.00 0.00 C ATOM 266 CG ASN A 20 -6.955 -13.612 8.885 1.00 0.00 C ATOM 267 OD1 ASN A 20 -7.375 -14.102 7.836 1.00 0.00 O ATOM 268 ND2 ASN A 20 -7.368 -12.436 9.343 1.00 0.00 N ATOM 0 H ASN A 20 -4.890 -12.212 10.419 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.803 -14.675 9.805 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.060 -15.415 9.612 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.088 -14.108 10.778 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.061 -11.900 8.820 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.992 -12.069 10.217 1.00 0.00 H new ATOM 275 N LYS A 21 -4.756 -12.999 7.135 1.00 0.00 N ATOM 276 CA LYS A 21 -4.650 -12.947 5.682 1.00 0.00 C ATOM 277 C LYS A 21 -3.193 -12.827 5.246 1.00 0.00 C ATOM 278 O LYS A 21 -2.544 -11.811 5.490 1.00 0.00 O ATOM 279 CB LYS A 21 -5.456 -11.766 5.134 1.00 0.00 C ATOM 280 CG LYS A 21 -6.894 -11.733 5.621 1.00 0.00 C ATOM 281 CD LYS A 21 -7.645 -12.994 5.227 1.00 0.00 C ATOM 282 CE LYS A 21 -7.934 -13.027 3.734 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.241 -12.392 3.407 1.00 0.00 N ATOM 0 H LYS A 21 -5.186 -12.176 7.556 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.056 -13.875 5.280 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.963 -10.837 5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.451 -11.808 4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.909 -11.623 6.705 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.400 -10.862 5.205 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.058 -13.870 5.505 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.582 -13.049 5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.136 -12.512 3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.936 -14.060 3.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.759 -12.991 2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.801 -12.284 4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.076 -11.457 2.983 1.00 0.00 H new ATOM 297 N ASP A 22 -2.687 -13.871 4.599 1.00 0.00 N ATOM 298 CA ASP A 22 -1.307 -13.882 4.127 1.00 0.00 C ATOM 299 C ASP A 22 -0.872 -12.487 3.689 1.00 0.00 C ATOM 300 O ASP A 22 -1.559 -11.827 2.911 1.00 0.00 O ATOM 301 CB ASP A 22 -1.151 -14.867 2.967 1.00 0.00 C ATOM 302 CG ASP A 22 -2.183 -14.648 1.878 1.00 0.00 C ATOM 303 OD1 ASP A 22 -3.390 -14.656 2.196 1.00 0.00 O ATOM 304 OD2 ASP A 22 -1.784 -14.469 0.709 1.00 0.00 O ATOM 0 H ASP A 22 -3.211 -14.720 4.389 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.669 -14.200 4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.152 -14.768 2.542 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.237 -15.886 3.345 1.00 0.00 H new ATOM 309 N GLY A 23 0.275 -12.044 4.196 1.00 0.00 N ATOM 310 CA GLY A 23 0.782 -10.730 3.847 1.00 0.00 C ATOM 311 C GLY A 23 0.839 -10.510 2.348 1.00 0.00 C ATOM 312 O GLY A 23 0.573 -9.410 1.864 1.00 0.00 O ATOM 0 H GLY A 23 0.862 -12.572 4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.148 -9.967 4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.780 -10.605 4.268 1.00 0.00 H new ATOM 316 N LYS A 24 1.187 -11.559 1.611 1.00 0.00 N ATOM 317 CA LYS A 24 1.279 -11.476 0.158 1.00 0.00 C ATOM 318 C LYS A 24 -0.023 -10.956 -0.441 1.00 0.00 C ATOM 319 O LYS A 24 -0.012 -10.108 -1.334 1.00 0.00 O ATOM 320 CB LYS A 24 1.611 -12.849 -0.431 1.00 0.00 C ATOM 321 CG LYS A 24 3.101 -13.135 -0.506 1.00 0.00 C ATOM 322 CD LYS A 24 3.630 -13.681 0.810 1.00 0.00 C ATOM 323 CE LYS A 24 3.310 -15.159 0.970 1.00 0.00 C ATOM 324 NZ LYS A 24 4.283 -16.019 0.241 1.00 0.00 N ATOM 0 H LYS A 24 1.410 -12.477 1.996 1.00 0.00 H new ATOM 0 HA LYS A 24 2.077 -10.777 -0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.132 -13.620 0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.186 -12.918 -1.432 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.295 -13.853 -1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.636 -12.221 -0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.709 -13.534 0.858 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.195 -13.122 1.638 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.317 -15.420 2.028 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.304 -15.355 0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.031 -17.019 0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.259 -15.788 -0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.240 -15.851 0.611 1.00 0.00 H new ATOM 338 N SER A 25 -1.145 -11.467 0.057 1.00 0.00 N ATOM 339 CA SER A 25 -2.455 -11.055 -0.431 1.00 0.00 C ATOM 340 C SER A 25 -2.792 -9.643 0.041 1.00 0.00 C ATOM 341 O SER A 25 -3.450 -8.880 -0.666 1.00 0.00 O ATOM 342 CB SER A 25 -3.531 -12.033 0.045 1.00 0.00 C ATOM 343 OG SER A 25 -4.823 -11.598 -0.341 1.00 0.00 O ATOM 0 H SER A 25 -1.172 -12.167 0.798 1.00 0.00 H new ATOM 0 HA SER A 25 -2.426 -11.059 -1.521 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.338 -13.022 -0.371 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.485 -12.129 1.130 1.00 0.00 H new ATOM 0 HG SER A 25 -5.492 -12.241 -0.026 1.00 0.00 H new ATOM 349 N VAL A 26 -2.334 -9.303 1.242 1.00 0.00 N ATOM 350 CA VAL A 26 -2.585 -7.983 1.809 1.00 0.00 C ATOM 351 C VAL A 26 -1.905 -6.894 0.988 1.00 0.00 C ATOM 352 O VAL A 26 -2.569 -6.043 0.396 1.00 0.00 O ATOM 353 CB VAL A 26 -2.092 -7.896 3.266 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.533 -6.587 3.902 1.00 0.00 C ATOM 355 CG2 VAL A 26 -2.595 -9.085 4.070 1.00 0.00 C ATOM 0 H VAL A 26 -1.788 -9.923 1.840 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.664 -7.829 1.788 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.002 -7.922 3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.176 -6.544 4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.119 -5.751 3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.621 -6.527 3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.237 -9.007 5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.685 -9.093 4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.224 -10.008 3.625 1.00 0.00 H new ATOM 365 N SER A 27 -0.576 -6.927 0.956 1.00 0.00 N ATOM 366 CA SER A 27 0.195 -5.939 0.210 1.00 0.00 C ATOM 367 C SER A 27 -0.448 -5.659 -1.145 1.00 0.00 C ATOM 368 O SER A 27 -0.436 -4.527 -1.628 1.00 0.00 O ATOM 369 CB SER A 27 1.632 -6.426 0.013 1.00 0.00 C ATOM 370 OG SER A 27 2.093 -7.128 1.155 1.00 0.00 O ATOM 0 H SER A 27 -0.011 -7.627 1.438 1.00 0.00 H new ATOM 0 HA SER A 27 0.207 -5.014 0.786 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.683 -7.074 -0.862 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.284 -5.575 -0.183 1.00 0.00 H new ATOM 0 HG SER A 27 3.013 -7.430 1.004 1.00 0.00 H new ATOM 376 N ASN A 28 -1.011 -6.698 -1.753 1.00 0.00 N ATOM 377 CA ASN A 28 -1.659 -6.565 -3.052 1.00 0.00 C ATOM 378 C ASN A 28 -2.869 -5.640 -2.965 1.00 0.00 C ATOM 379 O ASN A 28 -2.904 -4.585 -3.599 1.00 0.00 O ATOM 380 CB ASN A 28 -2.089 -7.938 -3.574 1.00 0.00 C ATOM 381 CG ASN A 28 -2.565 -7.886 -5.013 1.00 0.00 C ATOM 382 OD1 ASN A 28 -1.933 -8.447 -5.908 1.00 0.00 O ATOM 383 ND2 ASN A 28 -3.685 -7.210 -5.242 1.00 0.00 N ATOM 0 H ASN A 28 -1.031 -7.642 -1.366 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.940 -6.129 -3.745 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.252 -8.632 -3.496 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.888 -8.330 -2.944 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.054 -7.140 -6.190 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.176 -6.760 -4.469 1.00 0.00 H new ATOM 390 N ARG A 29 -3.858 -6.042 -2.173 1.00 0.00 N ATOM 391 CA ARG A 29 -5.070 -5.250 -2.003 1.00 0.00 C ATOM 392 C ARG A 29 -4.733 -3.772 -1.825 1.00 0.00 C ATOM 393 O ARG A 29 -5.365 -2.903 -2.427 1.00 0.00 O ATOM 394 CB ARG A 29 -5.867 -5.751 -0.797 1.00 0.00 C ATOM 395 CG ARG A 29 -7.046 -4.863 -0.435 1.00 0.00 C ATOM 396 CD ARG A 29 -8.143 -4.940 -1.485 1.00 0.00 C ATOM 397 NE ARG A 29 -7.818 -4.156 -2.674 1.00 0.00 N ATOM 398 CZ ARG A 29 -8.659 -3.973 -3.686 1.00 0.00 C ATOM 399 NH1 ARG A 29 -9.870 -4.513 -3.652 1.00 0.00 N ATOM 400 NH2 ARG A 29 -8.290 -3.247 -4.734 1.00 0.00 N ATOM 0 H ARG A 29 -3.844 -6.911 -1.639 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.676 -5.361 -2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.231 -6.757 -1.005 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.201 -5.825 0.063 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.446 -5.164 0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.709 -3.831 -0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.301 -5.980 -1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.079 -4.580 -1.058 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.895 -3.726 -2.730 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.157 -5.070 -2.848 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.514 -4.371 -4.430 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.360 -2.829 -4.763 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.936 -3.107 -5.511 1.00 0.00 H new ATOM 414 N LEU A 30 -3.734 -3.495 -0.995 1.00 0.00 N ATOM 415 CA LEU A 30 -3.312 -2.122 -0.737 1.00 0.00 C ATOM 416 C LEU A 30 -2.611 -1.529 -1.955 1.00 0.00 C ATOM 417 O LEU A 30 -2.902 -0.406 -2.365 1.00 0.00 O ATOM 418 CB LEU A 30 -2.381 -2.073 0.476 1.00 0.00 C ATOM 419 CG LEU A 30 -3.038 -2.304 1.837 1.00 0.00 C ATOM 420 CD1 LEU A 30 -3.140 -3.792 2.135 1.00 0.00 C ATOM 421 CD2 LEU A 30 -2.260 -1.591 2.933 1.00 0.00 C ATOM 0 H LEU A 30 -3.201 -4.202 -0.489 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.202 -1.528 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.601 -2.822 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.890 -1.100 0.493 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.046 -1.890 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.610 -3.937 3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.741 -4.277 1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.142 -4.230 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.742 -1.767 3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.240 -1.974 2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.240 -0.521 2.727 1.00 0.00 H new ATOM 433 N ARG A 31 -1.689 -2.294 -2.530 1.00 0.00 N ATOM 434 CA ARG A 31 -0.947 -1.845 -3.702 1.00 0.00 C ATOM 435 C ARG A 31 -1.860 -1.096 -4.669 1.00 0.00 C ATOM 436 O ARG A 31 -1.532 -0.001 -5.127 1.00 0.00 O ATOM 437 CB ARG A 31 -0.303 -3.037 -4.412 1.00 0.00 C ATOM 438 CG ARG A 31 1.099 -3.354 -3.919 1.00 0.00 C ATOM 439 CD ARG A 31 1.643 -4.621 -4.562 1.00 0.00 C ATOM 440 NE ARG A 31 2.107 -4.386 -5.926 1.00 0.00 N ATOM 441 CZ ARG A 31 2.310 -5.356 -6.811 1.00 0.00 C ATOM 442 NH1 ARG A 31 2.089 -6.620 -6.476 1.00 0.00 N ATOM 443 NH2 ARG A 31 2.733 -5.063 -8.034 1.00 0.00 N ATOM 0 H ARG A 31 -1.438 -3.227 -2.204 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.164 -1.164 -3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.934 -3.915 -4.275 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.266 -2.835 -5.482 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.762 -2.518 -4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.087 -3.471 -2.835 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.466 -5.008 -3.961 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.866 -5.386 -4.570 1.00 0.00 H new ATOM 0 HE ARG A 31 2.285 -3.424 -6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.762 -6.849 -5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.246 -7.363 -7.157 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.903 -4.092 -8.296 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.888 -5.809 -8.712 1.00 0.00 H new ATOM 457 N ARG A 32 -3.006 -1.695 -4.976 1.00 0.00 N ATOM 458 CA ARG A 32 -3.965 -1.086 -5.890 1.00 0.00 C ATOM 459 C ARG A 32 -4.476 0.241 -5.337 1.00 0.00 C ATOM 460 O ARG A 32 -4.583 1.230 -6.064 1.00 0.00 O ATOM 461 CB ARG A 32 -5.140 -2.034 -6.136 1.00 0.00 C ATOM 462 CG ARG A 32 -4.939 -2.957 -7.327 1.00 0.00 C ATOM 463 CD ARG A 32 -5.486 -2.344 -8.606 1.00 0.00 C ATOM 464 NE ARG A 32 -6.944 -2.393 -8.657 1.00 0.00 N ATOM 465 CZ ARG A 32 -7.657 -1.990 -9.703 1.00 0.00 C ATOM 466 NH1 ARG A 32 -7.049 -1.511 -10.779 1.00 0.00 N ATOM 467 NH2 ARG A 32 -8.982 -2.067 -9.674 1.00 0.00 N ATOM 0 H ARG A 32 -3.293 -2.601 -4.605 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.457 -0.895 -6.835 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.302 -2.637 -5.243 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.044 -1.446 -6.292 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.877 -3.169 -7.449 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.434 -3.909 -7.138 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.155 -1.308 -8.682 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.075 -2.873 -9.466 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.443 -2.757 -7.845 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.031 -1.451 -10.805 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.599 -1.202 -11.581 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.453 -2.436 -8.848 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.529 -1.757 -10.478 1.00 0.00 H new ATOM 481 N LEU A 33 -4.791 0.256 -4.046 1.00 0.00 N ATOM 482 CA LEU A 33 -5.292 1.462 -3.395 1.00 0.00 C ATOM 483 C LEU A 33 -4.221 2.547 -3.362 1.00 0.00 C ATOM 484 O LEU A 33 -4.528 3.733 -3.236 1.00 0.00 O ATOM 485 CB LEU A 33 -5.754 1.142 -1.972 1.00 0.00 C ATOM 486 CG LEU A 33 -7.011 0.279 -1.853 1.00 0.00 C ATOM 487 CD1 LEU A 33 -7.038 -0.443 -0.514 1.00 0.00 C ATOM 488 CD2 LEU A 33 -8.260 1.131 -2.026 1.00 0.00 C ATOM 0 H LEU A 33 -4.708 -0.553 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.140 1.832 -3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.940 0.637 -1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.932 2.082 -1.449 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.992 -0.469 -2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.939 -1.052 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.160 -1.083 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.034 0.289 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.145 0.501 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.285 1.901 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.246 1.602 -3.009 1.00 0.00 H new ATOM 500 N SER A 34 -2.963 2.134 -3.478 1.00 0.00 N ATOM 501 CA SER A 34 -1.846 3.071 -3.459 1.00 0.00 C ATOM 502 C SER A 34 -1.476 3.504 -4.875 1.00 0.00 C ATOM 503 O SER A 34 -1.040 4.633 -5.097 1.00 0.00 O ATOM 504 CB SER A 34 -0.633 2.439 -2.774 1.00 0.00 C ATOM 505 OG SER A 34 0.478 3.318 -2.791 1.00 0.00 O ATOM 0 H SER A 34 -2.692 1.157 -3.586 1.00 0.00 H new ATOM 0 HA SER A 34 -2.153 3.952 -2.896 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.884 2.185 -1.744 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.372 1.508 -3.277 1.00 0.00 H new ATOM 0 HG SER A 34 0.380 3.983 -2.078 1.00 0.00 H new ATOM 511 N ASP A 35 -1.654 2.597 -5.829 1.00 0.00 N ATOM 512 CA ASP A 35 -1.341 2.883 -7.224 1.00 0.00 C ATOM 513 C ASP A 35 -2.413 3.769 -7.851 1.00 0.00 C ATOM 514 O ASP A 35 -2.192 4.383 -8.894 1.00 0.00 O ATOM 515 CB ASP A 35 -1.210 1.581 -8.017 1.00 0.00 C ATOM 516 CG ASP A 35 -0.427 1.763 -9.303 1.00 0.00 C ATOM 517 OD1 ASP A 35 0.813 1.893 -9.229 1.00 0.00 O ATOM 518 OD2 ASP A 35 -1.054 1.773 -10.382 1.00 0.00 O ATOM 0 H ASP A 35 -2.014 1.657 -5.662 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.391 3.416 -7.255 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.718 0.830 -7.399 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.204 1.200 -8.251 1.00 0.00 H new ATOM 523 N ASN A 36 -3.574 3.830 -7.208 1.00 0.00 N ATOM 524 CA ASN A 36 -4.681 4.640 -7.703 1.00 0.00 C ATOM 525 C ASN A 36 -4.672 6.024 -7.061 1.00 0.00 C ATOM 526 O ASN A 36 -5.119 7.001 -7.663 1.00 0.00 O ATOM 527 CB ASN A 36 -6.015 3.944 -7.423 1.00 0.00 C ATOM 528 CG ASN A 36 -6.444 3.038 -8.561 1.00 0.00 C ATOM 529 OD1 ASN A 36 -7.434 3.305 -9.242 1.00 0.00 O ATOM 530 ND2 ASN A 36 -5.699 1.959 -8.772 1.00 0.00 N ATOM 0 H ASN A 36 -3.773 3.328 -6.343 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.559 4.758 -8.780 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.931 3.358 -6.508 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.785 4.696 -7.251 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.939 1.312 -9.523 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.887 1.777 -8.183 1.00 0.00 H new ATOM 537 N CYS A 37 -4.161 6.099 -5.837 1.00 0.00 N ATOM 538 CA CYS A 37 -4.094 7.363 -5.113 1.00 0.00 C ATOM 539 C CYS A 37 -2.756 8.055 -5.350 1.00 0.00 C ATOM 540 O CYS A 37 -2.550 9.192 -4.928 1.00 0.00 O ATOM 541 CB CYS A 37 -4.303 7.129 -3.616 1.00 0.00 C ATOM 542 SG CYS A 37 -5.855 6.296 -3.209 1.00 0.00 S ATOM 0 H CYS A 37 -3.787 5.300 -5.326 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.888 8.010 -5.486 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.473 6.535 -3.233 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.273 8.089 -3.101 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.656 5.013 -3.149 1.00 0.00 H new ATOM 548 N GLY A 38 -1.847 7.359 -6.027 1.00 0.00 N ATOM 549 CA GLY A 38 -0.539 7.922 -6.307 1.00 0.00 C ATOM 550 C GLY A 38 0.464 7.631 -5.208 1.00 0.00 C ATOM 551 O GLY A 38 0.951 8.546 -4.544 1.00 0.00 O ATOM 0 H GLY A 38 -1.993 6.416 -6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.168 7.520 -7.250 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.631 9.001 -6.435 1.00 0.00 H new ATOM 555 N GLY A 39 0.774 6.353 -5.014 1.00 0.00 N ATOM 556 CA GLY A 39 1.722 5.967 -3.986 1.00 0.00 C ATOM 557 C GLY A 39 2.323 4.598 -4.236 1.00 0.00 C ATOM 558 O GLY A 39 2.015 3.949 -5.235 1.00 0.00 O ATOM 0 H GLY A 39 0.385 5.578 -5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.520 6.707 -3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.223 5.970 -3.017 1.00 0.00 H new ATOM 562 N LYS A 40 3.185 4.157 -3.326 1.00 0.00 N ATOM 563 CA LYS A 40 3.832 2.856 -3.451 1.00 0.00 C ATOM 564 C LYS A 40 4.131 2.263 -2.078 1.00 0.00 C ATOM 565 O LYS A 40 4.917 2.817 -1.309 1.00 0.00 O ATOM 566 CB LYS A 40 5.127 2.984 -4.256 1.00 0.00 C ATOM 567 CG LYS A 40 5.734 1.647 -4.648 1.00 0.00 C ATOM 568 CD LYS A 40 6.995 1.828 -5.476 1.00 0.00 C ATOM 569 CE LYS A 40 8.233 1.906 -4.596 1.00 0.00 C ATOM 570 NZ LYS A 40 8.400 3.257 -3.992 1.00 0.00 N ATOM 0 H LYS A 40 3.452 4.682 -2.493 1.00 0.00 H new ATOM 0 HA LYS A 40 3.150 2.187 -3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.928 3.562 -5.159 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.855 3.546 -3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.966 1.075 -3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.005 1.068 -5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.095 0.997 -6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.913 2.737 -6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.163 1.160 -3.804 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.115 1.661 -5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.412 3.457 -3.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.983 3.973 -4.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.921 3.286 -3.069 1.00 0.00 H new ATOM 584 N VAL A 41 3.501 1.132 -1.777 1.00 0.00 N ATOM 585 CA VAL A 41 3.702 0.462 -0.498 1.00 0.00 C ATOM 586 C VAL A 41 5.168 0.099 -0.292 1.00 0.00 C ATOM 587 O VAL A 41 5.670 -0.862 -0.878 1.00 0.00 O ATOM 588 CB VAL A 41 2.849 -0.816 -0.394 1.00 0.00 C ATOM 589 CG1 VAL A 41 3.124 -1.740 -1.571 1.00 0.00 C ATOM 590 CG2 VAL A 41 3.113 -1.527 0.925 1.00 0.00 C ATOM 0 H VAL A 41 2.847 0.661 -2.402 1.00 0.00 H new ATOM 0 HA VAL A 41 3.391 1.162 0.278 1.00 0.00 H new ATOM 0 HB VAL A 41 1.797 -0.532 -0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.512 -2.637 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.879 -1.227 -2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.178 -2.018 -1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.502 -2.428 0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.167 -1.799 0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.860 -0.864 1.753 1.00 0.00 H new ATOM 600 N LEU A 42 5.852 0.872 0.544 1.00 0.00 N ATOM 601 CA LEU A 42 7.262 0.632 0.829 1.00 0.00 C ATOM 602 C LEU A 42 7.462 -0.731 1.483 1.00 0.00 C ATOM 603 O LEU A 42 8.287 -1.529 1.038 1.00 0.00 O ATOM 604 CB LEU A 42 7.814 1.732 1.738 1.00 0.00 C ATOM 605 CG LEU A 42 7.761 3.154 1.179 1.00 0.00 C ATOM 606 CD1 LEU A 42 8.710 4.064 1.943 1.00 0.00 C ATOM 607 CD2 LEU A 42 8.096 3.157 -0.305 1.00 0.00 C ATOM 0 H LEU A 42 5.453 1.671 1.037 1.00 0.00 H new ATOM 0 HA LEU A 42 7.804 0.644 -0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.261 1.711 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.851 1.494 1.974 1.00 0.00 H new ATOM 0 HG LEU A 42 6.747 3.534 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.658 5.072 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.424 4.087 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.728 3.686 1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.053 4.178 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.099 2.756 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.376 2.539 -0.842 1.00 0.00 H new ATOM 619 N SER A 43 6.699 -0.992 2.539 1.00 0.00 N ATOM 620 CA SER A 43 6.792 -2.259 3.256 1.00 0.00 C ATOM 621 C SER A 43 5.542 -2.502 4.096 1.00 0.00 C ATOM 622 O SER A 43 4.711 -1.609 4.263 1.00 0.00 O ATOM 623 CB SER A 43 8.033 -2.272 4.151 1.00 0.00 C ATOM 624 OG SER A 43 9.197 -2.582 3.405 1.00 0.00 O ATOM 0 H SER A 43 6.009 -0.343 2.918 1.00 0.00 H new ATOM 0 HA SER A 43 6.874 -3.059 2.521 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.151 -1.299 4.628 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.903 -3.004 4.948 1.00 0.00 H new ATOM 0 HG SER A 43 9.042 -2.382 2.458 1.00 0.00 H new ATOM 630 N ILE A 44 5.416 -3.716 4.621 1.00 0.00 N ATOM 631 CA ILE A 44 4.269 -4.077 5.444 1.00 0.00 C ATOM 632 C ILE A 44 4.690 -4.952 6.620 1.00 0.00 C ATOM 633 O ILE A 44 5.030 -6.123 6.447 1.00 0.00 O ATOM 634 CB ILE A 44 3.198 -4.819 4.623 1.00 0.00 C ATOM 635 CG1 ILE A 44 2.645 -3.909 3.525 1.00 0.00 C ATOM 636 CG2 ILE A 44 2.078 -5.305 5.530 1.00 0.00 C ATOM 637 CD1 ILE A 44 2.190 -4.659 2.292 1.00 0.00 C ATOM 0 H ILE A 44 6.095 -4.466 4.491 1.00 0.00 H new ATOM 0 HA ILE A 44 3.845 -3.146 5.821 1.00 0.00 H new ATOM 0 HB ILE A 44 3.659 -5.687 4.151 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.806 -3.339 3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.412 -3.189 3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.329 -5.827 4.935 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.485 -5.984 6.279 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.616 -4.452 6.027 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.810 -3.951 1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.032 -5.207 1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.400 -5.360 2.563 1.00 0.00 H new ATOM 649 N THR A 45 4.662 -4.377 7.818 1.00 0.00 N ATOM 650 CA THR A 45 5.039 -5.104 9.024 1.00 0.00 C ATOM 651 C THR A 45 3.833 -5.334 9.927 1.00 0.00 C ATOM 652 O THR A 45 2.919 -4.512 9.980 1.00 0.00 O ATOM 653 CB THR A 45 6.125 -4.352 9.816 1.00 0.00 C ATOM 654 OG1 THR A 45 5.518 -3.392 10.688 1.00 0.00 O ATOM 655 CG2 THR A 45 7.093 -3.651 8.876 1.00 0.00 C ATOM 0 H THR A 45 4.382 -3.410 7.979 1.00 0.00 H new ATOM 0 HA THR A 45 5.436 -6.067 8.702 1.00 0.00 H new ATOM 0 HB THR A 45 6.681 -5.079 10.408 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.215 -2.919 11.189 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.851 -3.127 9.459 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.575 -4.388 8.234 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.548 -2.935 8.261 1.00 0.00 H new ATOM 663 N GLY A 46 3.838 -6.457 10.639 1.00 0.00 N ATOM 664 CA GLY A 46 2.739 -6.774 11.533 1.00 0.00 C ATOM 665 C GLY A 46 1.397 -6.339 10.978 1.00 0.00 C ATOM 666 O GLY A 46 1.156 -6.433 9.774 1.00 0.00 O ATOM 0 H GLY A 46 4.583 -7.153 10.613 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.722 -7.848 11.716 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.906 -6.289 12.495 1.00 0.00 H new ATOM 670 N CYS A 47 0.522 -5.863 11.856 1.00 0.00 N ATOM 671 CA CYS A 47 -0.804 -5.414 11.448 1.00 0.00 C ATOM 672 C CYS A 47 -0.760 -3.974 10.945 1.00 0.00 C ATOM 673 O CYS A 47 -1.776 -3.279 10.935 1.00 0.00 O ATOM 674 CB CYS A 47 -1.787 -5.530 12.614 1.00 0.00 C ATOM 675 SG CYS A 47 -1.136 -4.927 14.190 1.00 0.00 S ATOM 0 H CYS A 47 0.707 -5.778 12.856 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.142 -6.054 10.633 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.692 -4.973 12.370 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.077 -6.574 12.728 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.131 -5.666 14.555 1.00 0.00 H new ATOM 681 N SER A 48 0.423 -3.534 10.531 1.00 0.00 N ATOM 682 CA SER A 48 0.601 -2.175 10.033 1.00 0.00 C ATOM 683 C SER A 48 1.329 -2.179 8.692 1.00 0.00 C ATOM 684 O SER A 48 1.863 -3.203 8.266 1.00 0.00 O ATOM 685 CB SER A 48 1.381 -1.335 11.047 1.00 0.00 C ATOM 686 OG SER A 48 2.561 -2.002 11.461 1.00 0.00 O ATOM 0 H SER A 48 1.273 -4.098 10.530 1.00 0.00 H new ATOM 0 HA SER A 48 -0.386 -1.735 9.890 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.639 -0.373 10.605 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.753 -1.129 11.914 1.00 0.00 H new ATOM 0 HG SER A 48 2.702 -2.794 10.902 1.00 0.00 H new ATOM 692 N ALA A 49 1.345 -1.026 8.031 1.00 0.00 N ATOM 693 CA ALA A 49 2.008 -0.895 6.740 1.00 0.00 C ATOM 694 C ALA A 49 2.458 0.542 6.497 1.00 0.00 C ATOM 695 O ALA A 49 1.919 1.479 7.088 1.00 0.00 O ATOM 696 CB ALA A 49 1.084 -1.357 5.623 1.00 0.00 C ATOM 0 H ALA A 49 0.906 -0.169 8.369 1.00 0.00 H new ATOM 0 HA ALA A 49 2.895 -1.529 6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.592 -1.254 4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.816 -2.402 5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.181 -0.747 5.622 1.00 0.00 H new ATOM 702 N ILE A 50 3.447 0.708 5.625 1.00 0.00 N ATOM 703 CA ILE A 50 3.967 2.031 5.305 1.00 0.00 C ATOM 704 C ILE A 50 4.008 2.256 3.797 1.00 0.00 C ATOM 705 O ILE A 50 4.632 1.491 3.061 1.00 0.00 O ATOM 706 CB ILE A 50 5.381 2.235 5.881 1.00 0.00 C ATOM 707 CG1 ILE A 50 5.330 2.286 7.409 1.00 0.00 C ATOM 708 CG2 ILE A 50 6.002 3.507 5.323 1.00 0.00 C ATOM 709 CD1 ILE A 50 6.696 2.318 8.059 1.00 0.00 C ATOM 0 H ILE A 50 3.904 -0.057 5.128 1.00 0.00 H new ATOM 0 HA ILE A 50 3.290 2.754 5.760 1.00 0.00 H new ATOM 0 HB ILE A 50 6.003 1.391 5.585 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.770 3.169 7.716 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.783 1.418 7.775 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.001 3.637 5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.068 3.434 4.237 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.382 4.363 5.592 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.583 2.354 9.143 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.252 1.422 7.782 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.239 3.201 7.722 1.00 0.00 H new ATOM 721 N LEU A 51 3.340 3.310 3.343 1.00 0.00 N ATOM 722 CA LEU A 51 3.300 3.638 1.922 1.00 0.00 C ATOM 723 C LEU A 51 4.093 4.909 1.634 1.00 0.00 C ATOM 724 O LEU A 51 4.437 5.658 2.549 1.00 0.00 O ATOM 725 CB LEU A 51 1.853 3.809 1.458 1.00 0.00 C ATOM 726 CG LEU A 51 0.951 2.584 1.607 1.00 0.00 C ATOM 727 CD1 LEU A 51 0.267 2.586 2.965 1.00 0.00 C ATOM 728 CD2 LEU A 51 -0.081 2.542 0.489 1.00 0.00 C ATOM 0 H LEU A 51 2.818 3.953 3.939 1.00 0.00 H new ATOM 0 HA LEU A 51 3.756 2.815 1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.408 4.633 2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.862 4.103 0.409 1.00 0.00 H new ATOM 0 HG LEU A 51 1.571 1.690 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.371 1.706 3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.021 2.567 3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.340 3.486 3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.714 1.663 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.696 3.441 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.427 2.492 -0.474 1.00 0.00 H new ATOM 740 N ARG A 52 4.377 5.147 0.358 1.00 0.00 N ATOM 741 CA ARG A 52 5.128 6.328 -0.051 1.00 0.00 C ATOM 742 C ARG A 52 4.377 7.102 -1.130 1.00 0.00 C ATOM 743 O ARG A 52 4.213 6.623 -2.252 1.00 0.00 O ATOM 744 CB ARG A 52 6.511 5.926 -0.565 1.00 0.00 C ATOM 745 CG ARG A 52 7.300 7.082 -1.157 1.00 0.00 C ATOM 746 CD ARG A 52 8.147 7.777 -0.102 1.00 0.00 C ATOM 747 NE ARG A 52 9.415 7.089 0.122 1.00 0.00 N ATOM 748 CZ ARG A 52 10.402 7.059 -0.767 1.00 0.00 C ATOM 749 NH1 ARG A 52 10.268 7.676 -1.933 1.00 0.00 N ATOM 750 NH2 ARG A 52 11.527 6.412 -0.489 1.00 0.00 N ATOM 0 H ARG A 52 4.098 4.537 -0.411 1.00 0.00 H new ATOM 0 HA ARG A 52 5.245 6.973 0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.082 5.490 0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.397 5.150 -1.322 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.943 6.713 -1.956 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.614 7.800 -1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.342 8.804 -0.412 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.591 7.827 0.834 1.00 0.00 H new ATOM 0 HE ARG A 52 9.551 6.605 1.009 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.405 8.175 -2.150 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.028 7.651 -2.613 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.634 5.937 0.407 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.284 6.389 -1.172 1.00 0.00 H new ATOM 764 N PHE A 53 3.923 8.302 -0.783 1.00 0.00 N ATOM 765 CA PHE A 53 3.189 9.143 -1.721 1.00 0.00 C ATOM 766 C PHE A 53 4.023 10.351 -2.137 1.00 0.00 C ATOM 767 O PHE A 53 4.774 10.905 -1.335 1.00 0.00 O ATOM 768 CB PHE A 53 1.871 9.609 -1.098 1.00 0.00 C ATOM 769 CG PHE A 53 0.901 8.491 -0.841 1.00 0.00 C ATOM 770 CD1 PHE A 53 1.005 7.715 0.302 1.00 0.00 C ATOM 771 CD2 PHE A 53 -0.114 8.216 -1.743 1.00 0.00 C ATOM 772 CE1 PHE A 53 0.114 6.686 0.542 1.00 0.00 C ATOM 773 CE2 PHE A 53 -1.008 7.188 -1.508 1.00 0.00 C ATOM 774 CZ PHE A 53 -0.893 6.422 -0.365 1.00 0.00 C ATOM 0 H PHE A 53 4.051 8.714 0.141 1.00 0.00 H new ATOM 0 HA PHE A 53 2.973 8.550 -2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.083 10.119 -0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.404 10.340 -1.759 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.792 7.917 1.014 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.208 8.811 -2.639 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.205 6.089 1.438 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.796 6.984 -2.218 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.590 5.618 -0.181 1.00 0.00 H new ATOM 784 N ILE A 54 3.885 10.752 -3.396 1.00 0.00 N ATOM 785 CA ILE A 54 4.625 11.894 -3.919 1.00 0.00 C ATOM 786 C ILE A 54 4.566 13.074 -2.956 1.00 0.00 C ATOM 787 O ILE A 54 5.596 13.619 -2.562 1.00 0.00 O ATOM 788 CB ILE A 54 4.082 12.336 -5.291 1.00 0.00 C ATOM 789 CG1 ILE A 54 4.842 13.567 -5.791 1.00 0.00 C ATOM 790 CG2 ILE A 54 2.592 12.627 -5.201 1.00 0.00 C ATOM 791 CD1 ILE A 54 6.053 13.228 -6.632 1.00 0.00 C ATOM 0 H ILE A 54 3.268 10.303 -4.073 1.00 0.00 H new ATOM 0 HA ILE A 54 5.661 11.574 -4.034 1.00 0.00 H new ATOM 0 HB ILE A 54 4.232 11.525 -6.004 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.165 14.189 -6.377 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.159 14.161 -4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.222 12.938 -6.178 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.064 11.728 -4.883 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.420 13.424 -4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.543 14.148 -6.952 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.750 12.632 -6.043 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.740 12.660 -7.508 1.00 0.00 H new ATOM 803 N ASN A 55 3.352 13.464 -2.580 1.00 0.00 N ATOM 804 CA ASN A 55 3.158 14.580 -1.662 1.00 0.00 C ATOM 805 C ASN A 55 1.961 14.332 -0.749 1.00 0.00 C ATOM 806 O ASN A 55 1.321 13.283 -0.821 1.00 0.00 O ATOM 807 CB ASN A 55 2.957 15.881 -2.442 1.00 0.00 C ATOM 808 CG ASN A 55 1.961 15.728 -3.574 1.00 0.00 C ATOM 809 OD1 ASN A 55 0.777 15.477 -3.345 1.00 0.00 O ATOM 810 ND2 ASN A 55 2.436 15.878 -4.805 1.00 0.00 N ATOM 0 H ASN A 55 2.488 13.024 -2.897 1.00 0.00 H new ATOM 0 HA ASN A 55 4.052 14.669 -1.044 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.613 16.660 -1.762 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.914 16.211 -2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.813 15.786 -5.607 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.424 16.085 -4.949 1.00 0.00 H new ATOM 817 N GLN A 56 1.665 15.304 0.107 1.00 0.00 N ATOM 818 CA GLN A 56 0.545 15.190 1.034 1.00 0.00 C ATOM 819 C GLN A 56 -0.745 14.858 0.290 1.00 0.00 C ATOM 820 O GLN A 56 -1.332 13.795 0.491 1.00 0.00 O ATOM 821 CB GLN A 56 0.373 16.490 1.822 1.00 0.00 C ATOM 822 CG GLN A 56 -0.935 16.566 2.592 1.00 0.00 C ATOM 823 CD GLN A 56 -0.956 17.703 3.595 1.00 0.00 C ATOM 824 OE1 GLN A 56 -0.471 18.800 3.318 1.00 0.00 O ATOM 825 NE2 GLN A 56 -1.521 17.446 4.769 1.00 0.00 N ATOM 0 H GLN A 56 2.185 16.179 0.178 1.00 0.00 H new ATOM 0 HA GLN A 56 0.762 14.379 1.729 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.203 16.594 2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.429 17.333 1.133 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.759 16.691 1.890 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.101 15.623 3.113 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.911 16.522 4.956 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.565 18.172 5.484 1.00 0.00 H new ATOM 834 N ASP A 57 -1.180 15.774 -0.567 1.00 0.00 N ATOM 835 CA ASP A 57 -2.401 15.579 -1.341 1.00 0.00 C ATOM 836 C ASP A 57 -2.582 14.109 -1.708 1.00 0.00 C ATOM 837 O ASP A 57 -3.523 13.457 -1.255 1.00 0.00 O ATOM 838 CB ASP A 57 -2.368 16.433 -2.609 1.00 0.00 C ATOM 839 CG ASP A 57 -3.754 16.846 -3.065 1.00 0.00 C ATOM 840 OD1 ASP A 57 -4.227 17.917 -2.629 1.00 0.00 O ATOM 841 OD2 ASP A 57 -4.365 16.100 -3.858 1.00 0.00 O ATOM 0 H ASP A 57 -0.706 16.659 -0.744 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.246 15.889 -0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.768 17.325 -2.428 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.877 15.875 -3.407 1.00 0.00 H new ATOM 846 N SER A 58 -1.675 13.594 -2.532 1.00 0.00 N ATOM 847 CA SER A 58 -1.737 12.202 -2.963 1.00 0.00 C ATOM 848 C SER A 58 -1.924 11.271 -1.769 1.00 0.00 C ATOM 849 O SER A 58 -2.740 10.351 -1.807 1.00 0.00 O ATOM 850 CB SER A 58 -0.465 11.825 -3.725 1.00 0.00 C ATOM 851 OG SER A 58 -0.519 12.283 -5.065 1.00 0.00 O ATOM 0 H SER A 58 -0.889 14.119 -2.914 1.00 0.00 H new ATOM 0 HA SER A 58 -2.595 12.090 -3.626 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.403 12.255 -3.225 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.337 10.743 -3.712 1.00 0.00 H new ATOM 0 HG SER A 58 -0.000 11.680 -5.638 1.00 0.00 H new ATOM 857 N ALA A 59 -1.159 11.517 -0.710 1.00 0.00 N ATOM 858 CA ALA A 59 -1.241 10.703 0.496 1.00 0.00 C ATOM 859 C ALA A 59 -2.614 10.824 1.149 1.00 0.00 C ATOM 860 O ALA A 59 -3.110 9.873 1.751 1.00 0.00 O ATOM 861 CB ALA A 59 -0.150 11.104 1.478 1.00 0.00 C ATOM 0 H ALA A 59 -0.476 12.273 -0.663 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.094 9.661 0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.223 10.488 2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.827 10.959 1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.271 12.153 1.748 1.00 0.00 H new ATOM 867 N GLU A 60 -3.221 12.000 1.026 1.00 0.00 N ATOM 868 CA GLU A 60 -4.536 12.245 1.606 1.00 0.00 C ATOM 869 C GLU A 60 -5.596 11.374 0.937 1.00 0.00 C ATOM 870 O GLU A 60 -6.127 10.446 1.547 1.00 0.00 O ATOM 871 CB GLU A 60 -4.912 13.722 1.468 1.00 0.00 C ATOM 872 CG GLU A 60 -3.938 14.664 2.154 1.00 0.00 C ATOM 873 CD GLU A 60 -4.593 15.958 2.599 1.00 0.00 C ATOM 874 OE1 GLU A 60 -5.191 16.645 1.745 1.00 0.00 O ATOM 875 OE2 GLU A 60 -4.507 16.282 3.802 1.00 0.00 O ATOM 0 H GLU A 60 -2.823 12.798 0.530 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.492 11.986 2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.967 13.977 0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.907 13.875 1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.504 14.164 3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.118 14.892 1.473 1.00 0.00 H new ATOM 882 N ARG A 61 -5.899 11.682 -0.320 1.00 0.00 N ATOM 883 CA ARG A 61 -6.896 10.929 -1.071 1.00 0.00 C ATOM 884 C ARG A 61 -6.849 9.449 -0.705 1.00 0.00 C ATOM 885 O ARG A 61 -7.871 8.762 -0.722 1.00 0.00 O ATOM 886 CB ARG A 61 -6.671 11.102 -2.574 1.00 0.00 C ATOM 887 CG ARG A 61 -6.614 12.554 -3.019 1.00 0.00 C ATOM 888 CD ARG A 61 -6.409 12.670 -4.521 1.00 0.00 C ATOM 889 NE ARG A 61 -7.613 12.313 -5.267 1.00 0.00 N ATOM 890 CZ ARG A 61 -7.916 11.069 -5.622 1.00 0.00 C ATOM 891 NH1 ARG A 61 -7.107 10.069 -5.300 1.00 0.00 N ATOM 892 NH2 ARG A 61 -9.030 10.824 -6.299 1.00 0.00 N ATOM 0 H ARG A 61 -5.469 12.447 -0.839 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.880 11.318 -0.811 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.740 10.609 -2.852 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.472 10.597 -3.113 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.538 13.058 -2.737 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.802 13.063 -2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.118 13.691 -4.769 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.588 12.021 -4.826 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.256 13.060 -5.530 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.250 10.254 -4.779 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.342 9.115 -5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.655 11.591 -6.548 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.262 9.869 -6.571 1.00 0.00 H new ATOM 906 N ALA A 62 -5.657 8.963 -0.376 1.00 0.00 N ATOM 907 CA ALA A 62 -5.477 7.565 -0.005 1.00 0.00 C ATOM 908 C ALA A 62 -5.787 7.345 1.472 1.00 0.00 C ATOM 909 O ALA A 62 -6.437 6.366 1.839 1.00 0.00 O ATOM 910 CB ALA A 62 -4.059 7.114 -0.322 1.00 0.00 C ATOM 0 H ALA A 62 -4.801 9.517 -0.359 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.176 6.966 -0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.938 6.068 -0.040 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.872 7.226 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.350 7.725 0.237 1.00 0.00 H new ATOM 916 N GLN A 63 -5.317 8.260 2.313 1.00 0.00 N ATOM 917 CA GLN A 63 -5.543 8.163 3.751 1.00 0.00 C ATOM 918 C GLN A 63 -7.031 8.253 4.074 1.00 0.00 C ATOM 919 O GLN A 63 -7.542 7.509 4.912 1.00 0.00 O ATOM 920 CB GLN A 63 -4.782 9.269 4.484 1.00 0.00 C ATOM 921 CG GLN A 63 -4.836 9.144 5.998 1.00 0.00 C ATOM 922 CD GLN A 63 -6.013 9.884 6.603 1.00 0.00 C ATOM 923 OE1 GLN A 63 -6.734 10.601 5.908 1.00 0.00 O ATOM 924 NE2 GLN A 63 -6.215 9.713 7.904 1.00 0.00 N ATOM 0 H GLN A 63 -4.778 9.076 2.024 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.174 7.194 4.088 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.740 9.256 4.164 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.193 10.236 4.193 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.896 8.090 6.270 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.910 9.531 6.424 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.593 9.110 8.442 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.992 10.185 8.366 1.00 0.00 H new ATOM 933 N LYS A 64 -7.723 9.170 3.406 1.00 0.00 N ATOM 934 CA LYS A 64 -9.152 9.358 3.621 1.00 0.00 C ATOM 935 C LYS A 64 -9.947 8.186 3.053 1.00 0.00 C ATOM 936 O LYS A 64 -11.080 7.936 3.463 1.00 0.00 O ATOM 937 CB LYS A 64 -9.619 10.664 2.975 1.00 0.00 C ATOM 938 CG LYS A 64 -9.551 10.650 1.458 1.00 0.00 C ATOM 939 CD LYS A 64 -10.845 10.139 0.847 1.00 0.00 C ATOM 940 CE LYS A 64 -11.886 11.244 0.741 1.00 0.00 C ATOM 941 NZ LYS A 64 -12.880 10.968 -0.333 1.00 0.00 N ATOM 0 H LYS A 64 -7.316 9.795 2.710 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.328 9.408 4.696 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.645 10.865 3.283 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.007 11.484 3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.348 11.657 1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.722 10.020 1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.644 9.730 -0.143 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.238 9.324 1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.402 11.349 1.695 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.389 12.193 0.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.572 11.743 -0.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.391 10.892 -1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.373 10.075 -0.129 1.00 0.00 H new ATOM 955 N ARG A 65 -9.344 7.470 2.110 1.00 0.00 N ATOM 956 CA ARG A 65 -9.995 6.324 1.487 1.00 0.00 C ATOM 957 C ARG A 65 -9.697 5.043 2.259 1.00 0.00 C ATOM 958 O ARG A 65 -10.586 4.458 2.877 1.00 0.00 O ATOM 959 CB ARG A 65 -9.535 6.176 0.035 1.00 0.00 C ATOM 960 CG ARG A 65 -9.639 4.755 -0.494 1.00 0.00 C ATOM 961 CD ARG A 65 -11.048 4.205 -0.342 1.00 0.00 C ATOM 962 NE ARG A 65 -11.296 3.078 -1.237 1.00 0.00 N ATOM 963 CZ ARG A 65 -12.511 2.656 -1.569 1.00 0.00 C ATOM 964 NH1 ARG A 65 -13.583 3.265 -1.083 1.00 0.00 N ATOM 965 NH2 ARG A 65 -12.654 1.623 -2.389 1.00 0.00 N ATOM 0 H ARG A 65 -8.405 7.663 1.761 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.071 6.496 1.504 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.133 6.834 -0.596 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.501 6.510 -0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.351 4.735 -1.545 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.938 4.114 0.041 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.205 3.890 0.690 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.770 4.996 -0.547 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.492 2.588 -1.629 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.476 4.060 -0.453 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.515 2.939 -1.339 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.831 1.152 -2.765 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.587 1.299 -2.644 1.00 0.00 H new ATOM 979 N MET A 66 -8.440 4.613 2.220 1.00 0.00 N ATOM 980 CA MET A 66 -8.025 3.401 2.917 1.00 0.00 C ATOM 981 C MET A 66 -8.606 3.359 4.327 1.00 0.00 C ATOM 982 O MET A 66 -9.173 2.350 4.743 1.00 0.00 O ATOM 983 CB MET A 66 -6.499 3.320 2.979 1.00 0.00 C ATOM 984 CG MET A 66 -5.860 2.885 1.670 1.00 0.00 C ATOM 985 SD MET A 66 -4.150 2.351 1.876 1.00 0.00 S ATOM 986 CE MET A 66 -3.290 3.585 0.903 1.00 0.00 C ATOM 0 H MET A 66 -7.691 5.086 1.713 1.00 0.00 H new ATOM 0 HA MET A 66 -8.405 2.544 2.361 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.103 4.296 3.261 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.212 2.620 3.764 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.442 2.070 1.239 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.896 3.712 0.960 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.713 3.093 0.120 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.015 4.261 0.450 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.618 4.153 1.547 1.00 0.00 H new ATOM 996 N GLU A 67 -8.459 4.461 5.056 1.00 0.00 N ATOM 997 CA GLU A 67 -8.969 4.548 6.419 1.00 0.00 C ATOM 998 C GLU A 67 -10.341 3.889 6.530 1.00 0.00 C ATOM 999 O GLU A 67 -10.625 3.180 7.494 1.00 0.00 O ATOM 1000 CB GLU A 67 -9.055 6.009 6.863 1.00 0.00 C ATOM 1001 CG GLU A 67 -10.035 6.837 6.047 1.00 0.00 C ATOM 1002 CD GLU A 67 -10.210 8.240 6.595 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -9.188 8.907 6.859 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -11.371 8.671 6.759 1.00 0.00 O ATOM 0 H GLU A 67 -7.991 5.305 4.726 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.277 4.018 7.073 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.348 6.044 7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.065 6.460 6.793 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.686 6.894 5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.002 6.335 6.029 1.00 0.00 H new ATOM 1011 N ASN A 68 -11.189 4.131 5.535 1.00 0.00 N ATOM 1012 CA ASN A 68 -12.532 3.563 5.520 1.00 0.00 C ATOM 1013 C ASN A 68 -12.553 2.234 4.771 1.00 0.00 C ATOM 1014 O ASN A 68 -13.490 1.449 4.907 1.00 0.00 O ATOM 1015 CB ASN A 68 -13.515 4.541 4.874 1.00 0.00 C ATOM 1016 CG ASN A 68 -13.758 5.768 5.732 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -13.467 6.892 5.323 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -14.293 5.557 6.929 1.00 0.00 N ATOM 0 H ASN A 68 -10.970 4.716 4.729 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.834 3.383 6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.130 4.851 3.903 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.463 4.034 4.694 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.479 6.344 7.551 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.518 4.608 7.227 1.00 0.00 H new ATOM 1025 N GLU A 69 -11.513 1.991 3.980 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.412 0.758 3.208 1.00 0.00 C ATOM 1027 C GLU A 69 -11.112 -0.430 4.118 1.00 0.00 C ATOM 1028 O GLU A 69 -10.396 -0.300 5.111 1.00 0.00 O ATOM 1029 CB GLU A 69 -10.323 0.884 2.141 1.00 0.00 C ATOM 1030 CG GLU A 69 -10.416 -0.167 1.049 1.00 0.00 C ATOM 1031 CD GLU A 69 -11.820 -0.310 0.494 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -12.458 0.729 0.222 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -12.281 -1.459 0.332 1.00 0.00 O ATOM 0 H GLU A 69 -10.729 2.631 3.857 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.371 0.587 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.384 1.873 1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.347 0.812 2.620 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.734 0.094 0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.087 -1.127 1.445 1.00 0.00 H new ATOM 1040 N ASP A 70 -11.666 -1.587 3.773 1.00 0.00 N ATOM 1041 CA ASP A 70 -11.458 -2.799 4.557 1.00 0.00 C ATOM 1042 C ASP A 70 -10.733 -3.860 3.736 1.00 0.00 C ATOM 1043 O ASP A 70 -11.362 -4.664 3.047 1.00 0.00 O ATOM 1044 CB ASP A 70 -12.797 -3.347 5.053 1.00 0.00 C ATOM 1045 CG ASP A 70 -13.889 -3.241 4.007 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -13.688 -3.754 2.887 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -14.945 -2.645 4.309 1.00 0.00 O ATOM 0 H ASP A 70 -12.263 -1.711 2.955 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.838 -2.544 5.416 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.675 -4.391 5.342 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.100 -2.802 5.947 1.00 0.00 H new ATOM 1052 N VAL A 71 -9.406 -3.857 3.812 1.00 0.00 N ATOM 1053 CA VAL A 71 -8.595 -4.819 3.076 1.00 0.00 C ATOM 1054 C VAL A 71 -9.302 -6.165 2.969 1.00 0.00 C ATOM 1055 O VAL A 71 -9.491 -6.694 1.873 1.00 0.00 O ATOM 1056 CB VAL A 71 -7.223 -5.024 3.745 1.00 0.00 C ATOM 1057 CG1 VAL A 71 -6.410 -6.064 2.988 1.00 0.00 C ATOM 1058 CG2 VAL A 71 -6.469 -3.705 3.829 1.00 0.00 C ATOM 0 H VAL A 71 -8.870 -3.198 4.377 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.446 -4.409 2.077 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.384 -5.390 4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.444 -6.196 3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.947 -7.013 2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.256 -5.730 1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.502 -3.868 4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.318 -3.308 2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.047 -2.992 4.418 1.00 0.00 H new ATOM 1068 N PHE A 72 -9.692 -6.716 4.114 1.00 0.00 N ATOM 1069 CA PHE A 72 -10.379 -8.002 4.149 1.00 0.00 C ATOM 1070 C PHE A 72 -11.194 -8.148 5.430 1.00 0.00 C ATOM 1071 O PHE A 72 -10.641 -8.332 6.514 1.00 0.00 O ATOM 1072 CB PHE A 72 -9.369 -9.146 4.041 1.00 0.00 C ATOM 1073 CG PHE A 72 -8.819 -9.332 2.655 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -9.667 -9.384 1.561 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -7.455 -9.455 2.447 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -9.165 -9.554 0.284 1.00 0.00 C ATOM 1077 CE2 PHE A 72 -6.947 -9.625 1.173 1.00 0.00 C ATOM 1078 CZ PHE A 72 -7.803 -9.676 0.091 1.00 0.00 C ATOM 0 H PHE A 72 -9.544 -6.292 5.030 1.00 0.00 H new ATOM 0 HA PHE A 72 -11.060 -8.046 3.299 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.544 -8.958 4.728 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -9.846 -10.072 4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -10.733 -9.291 1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.781 -9.418 3.290 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.837 -9.591 -0.561 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.881 -9.718 1.024 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.408 -9.811 -0.905 1.00 0.00 H new ATOM 1088 N GLY A 73 -12.515 -8.064 5.297 1.00 0.00 N ATOM 1089 CA GLY A 73 -13.386 -8.188 6.451 1.00 0.00 C ATOM 1090 C GLY A 73 -12.840 -7.471 7.670 1.00 0.00 C ATOM 1091 O GLY A 73 -13.133 -7.848 8.803 1.00 0.00 O ATOM 0 H GLY A 73 -12.997 -7.912 4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.368 -7.784 6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.525 -9.243 6.686 1.00 0.00 H new ATOM 1095 N ASN A 74 -12.041 -6.435 7.436 1.00 0.00 N ATOM 1096 CA ASN A 74 -11.450 -5.664 8.524 1.00 0.00 C ATOM 1097 C ASN A 74 -11.058 -4.268 8.051 1.00 0.00 C ATOM 1098 O ASN A 74 -10.372 -4.113 7.041 1.00 0.00 O ATOM 1099 CB ASN A 74 -10.224 -6.389 9.083 1.00 0.00 C ATOM 1100 CG ASN A 74 -9.181 -5.429 9.621 1.00 0.00 C ATOM 1101 OD1 ASN A 74 -9.099 -5.195 10.827 1.00 0.00 O ATOM 1102 ND2 ASN A 74 -8.376 -4.867 8.726 1.00 0.00 N ATOM 0 H ASN A 74 -11.788 -6.110 6.503 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.196 -5.565 9.313 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -10.536 -7.065 9.879 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.779 -7.003 8.300 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.654 -4.213 9.029 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.479 -5.090 7.736 1.00 0.00 H new ATOM 1109 N ARG A 75 -11.497 -3.253 8.790 1.00 0.00 N ATOM 1110 CA ARG A 75 -11.192 -1.870 8.446 1.00 0.00 C ATOM 1111 C ARG A 75 -9.787 -1.492 8.906 1.00 0.00 C ATOM 1112 O ARG A 75 -9.382 -1.812 10.024 1.00 0.00 O ATOM 1113 CB ARG A 75 -12.218 -0.927 9.078 1.00 0.00 C ATOM 1114 CG ARG A 75 -13.432 -0.671 8.200 1.00 0.00 C ATOM 1115 CD ARG A 75 -14.033 0.700 8.468 1.00 0.00 C ATOM 1116 NE ARG A 75 -14.938 0.686 9.614 1.00 0.00 N ATOM 1117 CZ ARG A 75 -15.692 1.721 9.968 1.00 0.00 C ATOM 1118 NH1 ARG A 75 -15.651 2.846 9.267 1.00 0.00 N ATOM 1119 NH2 ARG A 75 -16.491 1.631 11.024 1.00 0.00 N ATOM 0 H ARG A 75 -12.065 -3.363 9.630 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.239 -1.773 7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.549 -1.348 10.027 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.735 0.024 9.302 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.146 -0.746 7.151 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.182 -1.440 8.381 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.233 1.418 8.647 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.573 1.038 7.584 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.994 -0.165 10.173 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.040 2.918 8.454 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.231 3.639 9.541 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.526 0.767 11.564 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.070 2.426 11.295 1.00 0.00 H new ATOM 1133 N ILE A 76 -9.048 -0.811 8.036 1.00 0.00 N ATOM 1134 CA ILE A 76 -7.689 -0.390 8.353 1.00 0.00 C ATOM 1135 C ILE A 76 -7.656 1.067 8.802 1.00 0.00 C ATOM 1136 O ILE A 76 -8.549 1.848 8.474 1.00 0.00 O ATOM 1137 CB ILE A 76 -6.750 -0.565 7.146 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -7.284 0.209 5.939 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -6.591 -2.040 6.808 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -6.296 0.306 4.798 1.00 0.00 C ATOM 0 H ILE A 76 -9.368 -0.539 7.106 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.343 -1.027 9.167 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.770 -0.164 7.406 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.193 -0.274 5.581 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.561 1.215 6.256 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.924 -2.147 5.952 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.170 -2.566 7.665 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.565 -2.465 6.564 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.742 0.868 3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.395 0.816 5.139 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.038 -0.696 4.454 1.00 0.00 H new ATOM 1152 N ILE A 77 -6.620 1.425 9.553 1.00 0.00 N ATOM 1153 CA ILE A 77 -6.469 2.789 10.044 1.00 0.00 C ATOM 1154 C ILE A 77 -5.220 3.446 9.467 1.00 0.00 C ATOM 1155 O ILE A 77 -4.096 3.082 9.816 1.00 0.00 O ATOM 1156 CB ILE A 77 -6.392 2.828 11.582 1.00 0.00 C ATOM 1157 CG1 ILE A 77 -7.627 2.162 12.193 1.00 0.00 C ATOM 1158 CG2 ILE A 77 -6.261 4.263 12.070 1.00 0.00 C ATOM 1159 CD1 ILE A 77 -7.546 2.004 13.696 1.00 0.00 C ATOM 0 H ILE A 77 -5.873 0.790 9.835 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.350 3.341 9.718 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.509 2.275 11.901 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.509 2.753 11.945 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.763 1.180 11.739 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.208 4.274 13.159 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.354 4.706 11.658 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.127 4.839 11.743 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.455 1.525 14.061 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.684 1.388 13.951 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.441 2.985 14.160 1.00 0.00 H new ATOM 1171 N VAL A 78 -5.423 4.417 8.583 1.00 0.00 N ATOM 1172 CA VAL A 78 -4.313 5.128 7.959 1.00 0.00 C ATOM 1173 C VAL A 78 -4.066 6.468 8.641 1.00 0.00 C ATOM 1174 O VAL A 78 -4.965 7.305 8.732 1.00 0.00 O ATOM 1175 CB VAL A 78 -4.572 5.367 6.460 1.00 0.00 C ATOM 1176 CG1 VAL A 78 -3.344 5.970 5.795 1.00 0.00 C ATOM 1177 CG2 VAL A 78 -4.976 4.069 5.775 1.00 0.00 C ATOM 0 H VAL A 78 -6.346 4.730 8.282 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.430 4.499 8.072 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.394 6.075 6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.546 6.132 4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.105 6.922 6.268 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.500 5.289 5.903 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.155 4.257 4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.176 3.336 5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.886 3.683 6.234 1.00 0.00 H new ATOM 1187 N SER A 79 -2.842 6.666 9.120 1.00 0.00 N ATOM 1188 CA SER A 79 -2.477 7.905 9.797 1.00 0.00 C ATOM 1189 C SER A 79 -1.128 8.417 9.302 1.00 0.00 C ATOM 1190 O SER A 79 -0.278 7.641 8.865 1.00 0.00 O ATOM 1191 CB SER A 79 -2.429 7.688 11.311 1.00 0.00 C ATOM 1192 OG SER A 79 -2.772 8.873 12.007 1.00 0.00 O ATOM 0 H SER A 79 -2.086 5.984 9.052 1.00 0.00 H new ATOM 0 HA SER A 79 -3.236 8.653 9.568 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.115 6.888 11.589 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.429 7.367 11.604 1.00 0.00 H new ATOM 0 HG SER A 79 -2.736 8.708 12.972 1.00 0.00 H new ATOM 1198 N PHE A 80 -0.939 9.731 9.374 1.00 0.00 N ATOM 1199 CA PHE A 80 0.305 10.349 8.932 1.00 0.00 C ATOM 1200 C PHE A 80 1.376 10.248 10.014 1.00 0.00 C ATOM 1201 O PHE A 80 2.572 10.325 9.730 1.00 0.00 O ATOM 1202 CB PHE A 80 0.069 11.817 8.568 1.00 0.00 C ATOM 1203 CG PHE A 80 -0.514 12.008 7.197 1.00 0.00 C ATOM 1204 CD1 PHE A 80 -1.592 11.246 6.776 1.00 0.00 C ATOM 1205 CD2 PHE A 80 0.016 12.949 6.329 1.00 0.00 C ATOM 1206 CE1 PHE A 80 -2.130 11.419 5.515 1.00 0.00 C ATOM 1207 CE2 PHE A 80 -0.518 13.127 5.066 1.00 0.00 C ATOM 1208 CZ PHE A 80 -1.593 12.361 4.659 1.00 0.00 C ATOM 0 H PHE A 80 -1.632 10.388 9.734 1.00 0.00 H new ATOM 0 HA PHE A 80 0.654 9.814 8.048 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.600 12.263 9.304 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.015 12.355 8.630 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.017 10.508 7.441 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.856 13.551 6.643 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.970 10.818 5.199 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.095 13.864 4.399 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.013 12.498 3.673 1.00 0.00 H new ATOM 1218 N THR A 81 0.939 10.076 11.258 1.00 0.00 N ATOM 1219 CA THR A 81 1.858 9.966 12.383 1.00 0.00 C ATOM 1220 C THR A 81 1.925 8.534 12.901 1.00 0.00 C ATOM 1221 O THR A 81 1.019 7.728 12.686 1.00 0.00 O ATOM 1222 CB THR A 81 1.447 10.899 13.538 1.00 0.00 C ATOM 1223 OG1 THR A 81 0.019 10.957 13.636 1.00 0.00 O ATOM 1224 CG2 THR A 81 2.003 12.299 13.327 1.00 0.00 C ATOM 0 H THR A 81 -0.047 10.010 11.511 1.00 0.00 H new ATOM 0 HA THR A 81 2.841 10.263 12.018 1.00 0.00 H new ATOM 0 HB THR A 81 1.859 10.498 14.464 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.234 11.551 14.373 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.700 12.940 14.155 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.091 12.255 13.282 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.617 12.707 12.393 1.00 0.00 H new ATOM 1232 N PRO A 82 3.021 8.207 13.600 1.00 0.00 N ATOM 1233 CA PRO A 82 3.231 6.870 14.165 1.00 0.00 C ATOM 1234 C PRO A 82 2.285 6.575 15.323 1.00 0.00 C ATOM 1235 O PRO A 82 1.905 7.475 16.073 1.00 0.00 O ATOM 1236 CB PRO A 82 4.680 6.916 14.656 1.00 0.00 C ATOM 1237 CG PRO A 82 4.948 8.359 14.912 1.00 0.00 C ATOM 1238 CD PRO A 82 4.141 9.117 13.895 1.00 0.00 C ATOM 0 HA PRO A 82 3.039 6.084 13.435 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.810 6.323 15.561 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.364 6.513 13.909 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.658 8.636 15.925 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.010 8.582 14.812 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.790 10.071 14.290 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.725 9.337 13.002 1.00 0.00 H new ATOM 1246 N LYS A 83 1.908 5.309 15.466 1.00 0.00 N ATOM 1247 CA LYS A 83 1.007 4.894 16.534 1.00 0.00 C ATOM 1248 C LYS A 83 1.778 4.219 17.664 1.00 0.00 C ATOM 1249 O LYS A 83 1.383 4.290 18.827 1.00 0.00 O ATOM 1250 CB LYS A 83 -0.059 3.941 15.989 1.00 0.00 C ATOM 1251 CG LYS A 83 -1.192 4.646 15.264 1.00 0.00 C ATOM 1252 CD LYS A 83 -2.461 3.812 15.268 1.00 0.00 C ATOM 1253 CE LYS A 83 -2.857 3.406 16.679 1.00 0.00 C ATOM 1254 NZ LYS A 83 -2.316 2.067 17.044 1.00 0.00 N ATOM 0 H LYS A 83 2.213 4.552 14.855 1.00 0.00 H new ATOM 0 HA LYS A 83 0.520 5.785 16.931 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.413 3.233 15.307 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.472 3.361 16.814 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.386 5.608 15.739 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.895 4.852 14.236 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.272 4.379 14.810 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.313 2.920 14.660 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.492 4.150 17.387 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.944 3.393 16.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.079 1.361 17.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.564 1.803 16.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.927 2.101 18.008 1.00 0.00 H new ATOM 1268 N ASN A 84 2.881 3.564 17.314 1.00 0.00 N ATOM 1269 CA ASN A 84 3.708 2.877 18.299 1.00 0.00 C ATOM 1270 C ASN A 84 4.025 3.793 19.477 1.00 0.00 C ATOM 1271 O ASN A 84 3.934 3.386 20.635 1.00 0.00 O ATOM 1272 CB ASN A 84 5.007 2.389 17.654 1.00 0.00 C ATOM 1273 CG ASN A 84 6.133 2.244 18.660 1.00 0.00 C ATOM 1274 OD1 ASN A 84 5.894 2.088 19.857 1.00 0.00 O ATOM 1275 ND2 ASN A 84 7.368 2.297 18.175 1.00 0.00 N ATOM 0 H ASN A 84 3.222 3.495 16.355 1.00 0.00 H new ATOM 0 HA ASN A 84 3.149 2.018 18.670 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.830 1.429 17.169 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.308 3.089 16.874 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.167 2.207 18.803 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.518 2.428 17.175 1.00 0.00 H new ATOM 1282 N ARG A 85 4.397 5.033 19.172 1.00 0.00 N ATOM 1283 CA ARG A 85 4.728 6.007 20.205 1.00 0.00 C ATOM 1284 C ARG A 85 4.309 7.411 19.782 1.00 0.00 C ATOM 1285 O ARG A 85 4.775 7.929 18.768 1.00 0.00 O ATOM 1286 CB ARG A 85 6.229 5.977 20.501 1.00 0.00 C ATOM 1287 CG ARG A 85 6.708 4.661 21.089 1.00 0.00 C ATOM 1288 CD ARG A 85 7.871 4.869 22.047 1.00 0.00 C ATOM 1289 NE ARG A 85 8.752 3.705 22.099 1.00 0.00 N ATOM 1290 CZ ARG A 85 9.824 3.630 22.880 1.00 0.00 C ATOM 1291 NH1 ARG A 85 10.145 4.644 23.671 1.00 0.00 N ATOM 1292 NH2 ARG A 85 10.577 2.537 22.871 1.00 0.00 N ATOM 0 H ARG A 85 4.476 5.386 18.218 1.00 0.00 H new ATOM 0 HA ARG A 85 4.181 5.741 21.110 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.776 6.174 19.579 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.470 6.784 21.193 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.885 4.175 21.614 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.013 3.991 20.285 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.444 5.743 21.738 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.486 5.077 23.045 1.00 0.00 H new ATOM 0 HE ARG A 85 8.532 2.907 21.503 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.568 5.485 23.681 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.969 4.583 24.269 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.333 1.754 22.264 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.400 2.480 23.471 1.00 0.00 H new ATOM 1306 N GLU A 86 3.426 8.022 20.567 1.00 0.00 N ATOM 1307 CA GLU A 86 2.944 9.366 20.272 1.00 0.00 C ATOM 1308 C GLU A 86 3.443 10.364 21.313 1.00 0.00 C ATOM 1309 O GLU A 86 3.238 10.180 22.514 1.00 0.00 O ATOM 1310 CB GLU A 86 1.415 9.384 20.224 1.00 0.00 C ATOM 1311 CG GLU A 86 0.765 8.382 21.162 1.00 0.00 C ATOM 1312 CD GLU A 86 0.658 6.997 20.554 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -0.171 6.815 19.638 1.00 0.00 O ATOM 1314 OE2 GLU A 86 1.402 6.096 20.994 1.00 0.00 O ATOM 0 H GLU A 86 3.031 7.608 21.411 1.00 0.00 H new ATOM 0 HA GLU A 86 3.335 9.659 19.297 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.064 10.385 20.475 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.089 9.178 19.204 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.343 8.326 22.085 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.231 8.735 21.431 1.00 0.00 H new ATOM 1321 N LEU A 87 4.100 11.420 20.845 1.00 0.00 N ATOM 1322 CA LEU A 87 4.630 12.447 21.735 1.00 0.00 C ATOM 1323 C LEU A 87 3.506 13.131 22.507 1.00 0.00 C ATOM 1324 O LEU A 87 3.655 13.450 23.687 1.00 0.00 O ATOM 1325 CB LEU A 87 5.419 13.485 20.934 1.00 0.00 C ATOM 1326 CG LEU A 87 4.769 13.969 19.638 1.00 0.00 C ATOM 1327 CD1 LEU A 87 5.136 15.420 19.366 1.00 0.00 C ATOM 1328 CD2 LEU A 87 5.182 13.085 18.471 1.00 0.00 C ATOM 0 H LEU A 87 4.278 11.587 19.855 1.00 0.00 H new ATOM 0 HA LEU A 87 5.296 11.965 22.450 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.596 14.350 21.573 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.394 13.063 20.692 1.00 0.00 H new ATOM 0 HG LEU A 87 3.687 13.904 19.751 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.664 15.747 18.439 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.789 16.044 20.190 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.218 15.510 19.274 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.710 13.445 17.557 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.265 13.117 18.356 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.867 12.059 18.662 1.00 0.00 H new ATOM 1340 N CYS A 88 2.382 13.352 21.834 1.00 0.00 N ATOM 1341 CA CYS A 88 1.232 13.996 22.457 1.00 0.00 C ATOM 1342 C CYS A 88 -0.061 13.603 21.750 1.00 0.00 C ATOM 1343 O CYS A 88 -0.035 12.991 20.683 1.00 0.00 O ATOM 1344 CB CYS A 88 1.398 15.517 22.433 1.00 0.00 C ATOM 1345 SG CYS A 88 1.209 16.254 20.793 1.00 0.00 S ATOM 0 H CYS A 88 2.243 13.095 20.857 1.00 0.00 H new ATOM 0 HA CYS A 88 1.175 13.660 23.492 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.666 15.962 23.106 1.00 0.00 H new ATOM 0 HB3 CYS A 88 2.384 15.770 22.822 1.00 0.00 H new ATOM 0 HG CYS A 88 1.364 17.542 20.876 1.00 0.00 H new ATOM 1351 N GLU A 89 -1.191 13.957 22.354 1.00 0.00 N ATOM 1352 CA GLU A 89 -2.495 13.638 21.783 1.00 0.00 C ATOM 1353 C GLU A 89 -3.245 14.909 21.395 1.00 0.00 C ATOM 1354 O GLU A 89 -3.816 15.591 22.246 1.00 0.00 O ATOM 1355 CB GLU A 89 -3.327 12.825 22.776 1.00 0.00 C ATOM 1356 CG GLU A 89 -3.430 13.465 24.151 1.00 0.00 C ATOM 1357 CD GLU A 89 -4.057 12.542 25.178 1.00 0.00 C ATOM 1358 OE1 GLU A 89 -5.291 12.356 25.134 1.00 0.00 O ATOM 1359 OE2 GLU A 89 -3.313 12.007 26.026 1.00 0.00 O ATOM 0 H GLU A 89 -1.230 14.464 23.238 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.333 13.043 20.884 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.330 12.690 22.371 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.888 11.833 22.878 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.435 13.755 24.488 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.021 14.378 24.079 1.00 0.00 H new ATOM 1366 N THR A 90 -3.238 15.222 20.103 1.00 0.00 N ATOM 1367 CA THR A 90 -3.915 16.411 19.601 1.00 0.00 C ATOM 1368 C THR A 90 -4.962 16.047 18.555 1.00 0.00 C ATOM 1369 O THR A 90 -4.643 15.458 17.522 1.00 0.00 O ATOM 1370 CB THR A 90 -2.916 17.409 18.986 1.00 0.00 C ATOM 1371 OG1 THR A 90 -3.602 18.594 18.567 1.00 0.00 O ATOM 1372 CG2 THR A 90 -2.193 16.790 17.800 1.00 0.00 C ATOM 0 H THR A 90 -2.771 14.668 19.385 1.00 0.00 H new ATOM 0 HA THR A 90 -4.406 16.879 20.454 1.00 0.00 H new ATOM 0 HB THR A 90 -2.179 17.666 19.747 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.959 19.224 18.179 1.00 0.00 H new ATOM 0 HG21 THR A 90 -1.493 17.514 17.382 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.648 15.905 18.128 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.920 16.507 17.038 1.00 0.00 H new ATOM 1380 N SER A 91 -6.214 16.403 18.828 1.00 0.00 N ATOM 1381 CA SER A 91 -7.309 16.111 17.910 1.00 0.00 C ATOM 1382 C SER A 91 -7.782 17.380 17.208 1.00 0.00 C ATOM 1383 O SER A 91 -7.888 17.423 15.983 1.00 0.00 O ATOM 1384 CB SER A 91 -8.474 15.465 18.662 1.00 0.00 C ATOM 1385 OG SER A 91 -9.573 15.234 17.798 1.00 0.00 O ATOM 0 H SER A 91 -6.495 16.894 19.677 1.00 0.00 H new ATOM 0 HA SER A 91 -6.943 15.415 17.156 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.149 14.522 19.102 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.783 16.111 19.484 1.00 0.00 H new ATOM 0 HG SER A 91 -10.304 14.819 18.302 1.00 0.00 H new ATOM 1391 N GLY A 92 -8.067 18.413 17.995 1.00 0.00 N ATOM 1392 CA GLY A 92 -8.526 19.670 17.433 1.00 0.00 C ATOM 1393 C GLY A 92 -9.873 19.541 16.750 1.00 0.00 C ATOM 1394 O GLY A 92 -10.500 18.482 16.762 1.00 0.00 O ATOM 0 H GLY A 92 -7.988 18.402 19.012 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.593 20.416 18.225 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.791 20.033 16.715 1.00 0.00 H new ATOM 1398 N PRO A 93 -10.339 20.641 16.140 1.00 0.00 N ATOM 1399 CA PRO A 93 -11.626 20.673 15.439 1.00 0.00 C ATOM 1400 C PRO A 93 -11.608 19.849 14.156 1.00 0.00 C ATOM 1401 O PRO A 93 -10.561 19.684 13.529 1.00 0.00 O ATOM 1402 CB PRO A 93 -11.820 22.157 15.119 1.00 0.00 C ATOM 1403 CG PRO A 93 -10.441 22.718 15.077 1.00 0.00 C ATOM 1404 CD PRO A 93 -9.645 21.939 16.087 1.00 0.00 C ATOM 0 HA PRO A 93 -12.428 20.245 16.040 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.332 22.293 14.166 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.425 22.650 15.880 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -10.010 22.619 14.081 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.445 23.781 15.319 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.605 21.827 15.779 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.638 22.431 17.060 1.00 0.00 H new ATOM 1412 N SER A 94 -12.771 19.336 13.770 1.00 0.00 N ATOM 1413 CA SER A 94 -12.888 18.527 12.563 1.00 0.00 C ATOM 1414 C SER A 94 -13.274 19.390 11.365 1.00 0.00 C ATOM 1415 O SER A 94 -12.603 19.376 10.334 1.00 0.00 O ATOM 1416 CB SER A 94 -13.924 17.419 12.763 1.00 0.00 C ATOM 1417 OG SER A 94 -14.267 16.813 11.529 1.00 0.00 O ATOM 0 H SER A 94 -13.647 19.466 14.276 1.00 0.00 H new ATOM 0 HA SER A 94 -11.917 18.074 12.364 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.528 16.666 13.444 1.00 0.00 H new ATOM 0 HB3 SER A 94 -14.818 17.833 13.230 1.00 0.00 H new ATOM 0 HG SER A 94 -14.929 16.107 11.684 1.00 0.00 H new ATOM 1423 N SER A 95 -14.361 20.141 11.512 1.00 0.00 N ATOM 1424 CA SER A 95 -14.840 21.008 10.442 1.00 0.00 C ATOM 1425 C SER A 95 -15.089 22.422 10.959 1.00 0.00 C ATOM 1426 O SER A 95 -15.820 22.621 11.928 1.00 0.00 O ATOM 1427 CB SER A 95 -16.125 20.442 9.835 1.00 0.00 C ATOM 1428 OG SER A 95 -16.430 21.075 8.604 1.00 0.00 O ATOM 0 H SER A 95 -14.926 20.166 12.361 1.00 0.00 H new ATOM 0 HA SER A 95 -14.071 21.051 9.671 1.00 0.00 H new ATOM 0 HB2 SER A 95 -16.015 19.369 9.678 1.00 0.00 H new ATOM 0 HB3 SER A 95 -16.951 20.579 10.532 1.00 0.00 H new ATOM 0 HG SER A 95 -17.255 20.694 8.236 1.00 0.00 H new ATOM 1434 N GLY A 96 -14.474 23.402 10.303 1.00 0.00 N ATOM 1435 CA GLY A 96 -14.640 24.785 10.710 1.00 0.00 C ATOM 1436 C GLY A 96 -14.488 25.752 9.553 1.00 0.00 C ATOM 1437 O GLY A 96 -14.643 25.371 8.392 1.00 0.00 O ATOM 0 H GLY A 96 -13.864 23.263 9.497 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -15.625 24.913 11.159 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -13.906 25.025 11.479 1.00 0.00 H new TER 1441 GLY A 96