USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 167:sc= -0.0225 (180deg=-0.221) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot -28:sc= 0.00062 USER MOD Single : A 13 LYS NZ :NH3+ 148:sc= -0.525 (180deg=-1.26) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0134 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.31! K(o=-3.3!,f=-1.7) USER MOD Single : A 22 ASN : amide:sc= -2.07! C(o=-2.1!,f=-2.3!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -170:sc=0.000203 USER MOD Single : A 26 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.446) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -47:sc= 0.176 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= -2.58! (180deg=-2.65) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 53 THR OG1 : rot 91:sc= 0.22 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 57 SER OG : rot 180:sc= -0.015 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 154:sc= -2.17 USER MOD Single : A 73 SER OG : rot 83:sc= 0.121 USER MOD Single : A 74 MET CE :methyl -161:sc= -0.192 (180deg=-1.22!) USER MOD Single : A 76 HIS : no HE2:sc= -5.02! C(o=-5!,f=-8.3!) USER MOD Single : A 79 SER OG : rot 180:sc= -0.0155 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.477 16.697 -1.106 1.00 0.00 N ATOM 2 CA SER A 1 5.403 16.564 -0.082 1.00 0.00 C ATOM 3 C SER A 1 4.202 15.839 -0.693 1.00 0.00 C ATOM 4 O SER A 1 3.063 16.119 -0.377 1.00 0.00 O ATOM 5 CB SER A 1 4.974 17.954 0.390 1.00 0.00 C ATOM 6 OG SER A 1 4.302 18.622 -0.669 1.00 0.00 O ATOM 0 H1 SER A 1 7.194 17.371 -0.771 1.00 0.00 H new ATOM 0 H2 SER A 1 6.921 15.770 -1.266 1.00 0.00 H new ATOM 0 H3 SER A 1 6.066 17.042 -1.997 1.00 0.00 H new ATOM 0 HA SER A 1 5.779 15.992 0.766 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.318 17.870 1.257 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.845 18.529 0.704 1.00 0.00 H new ATOM 0 HG SER A 1 4.024 19.513 -0.370 1.00 0.00 H new ATOM 14 N ASP A 2 4.459 14.914 -1.577 1.00 0.00 N ATOM 15 CA ASP A 2 3.353 14.163 -2.232 1.00 0.00 C ATOM 16 C ASP A 2 2.677 13.227 -1.213 1.00 0.00 C ATOM 17 O ASP A 2 3.265 12.285 -0.720 1.00 0.00 O ATOM 18 CB ASP A 2 3.933 13.379 -3.431 1.00 0.00 C ATOM 19 CG ASP A 2 4.512 12.031 -2.987 1.00 0.00 C ATOM 20 OD1 ASP A 2 5.233 12.012 -2.003 1.00 0.00 O ATOM 21 OD2 ASP A 2 4.226 11.045 -3.645 1.00 0.00 O ATOM 0 H ASP A 2 5.397 14.645 -1.875 1.00 0.00 H new ATOM 0 HA ASP A 2 2.590 14.849 -2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.152 13.215 -4.173 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.711 13.971 -3.913 1.00 0.00 H new ATOM 26 N VAL A 3 1.446 13.519 -0.875 1.00 0.00 N ATOM 27 CA VAL A 3 0.709 12.699 0.134 1.00 0.00 C ATOM 28 C VAL A 3 0.355 11.312 -0.425 1.00 0.00 C ATOM 29 O VAL A 3 -0.034 10.435 0.322 1.00 0.00 O ATOM 30 CB VAL A 3 -0.593 13.447 0.534 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.348 14.956 0.491 1.00 0.00 C ATOM 32 CG2 VAL A 3 -1.759 13.108 -0.414 1.00 0.00 C ATOM 0 H VAL A 3 0.915 14.300 -1.260 1.00 0.00 H new ATOM 0 HA VAL A 3 1.350 12.557 1.004 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.863 13.128 1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.261 15.481 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.449 15.215 1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.057 15.249 -0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.651 13.650 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.496 13.397 -1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.955 12.036 -0.381 1.00 0.00 H new ATOM 42 N TYR A 4 0.428 11.090 -1.714 1.00 0.00 N ATOM 43 CA TYR A 4 0.014 9.747 -2.227 1.00 0.00 C ATOM 44 C TYR A 4 1.077 8.685 -1.885 1.00 0.00 C ATOM 45 O TYR A 4 0.769 7.627 -1.373 1.00 0.00 O ATOM 46 CB TYR A 4 -0.257 9.827 -3.734 1.00 0.00 C ATOM 47 CG TYR A 4 -1.692 10.229 -4.003 1.00 0.00 C ATOM 48 CD1 TYR A 4 -2.716 9.286 -3.866 1.00 0.00 C ATOM 49 CD2 TYR A 4 -1.992 11.533 -4.417 1.00 0.00 C ATOM 50 CE1 TYR A 4 -4.039 9.642 -4.141 1.00 0.00 C ATOM 51 CE2 TYR A 4 -3.317 11.893 -4.686 1.00 0.00 C ATOM 52 CZ TYR A 4 -4.342 10.947 -4.550 1.00 0.00 C ATOM 53 OH TYR A 4 -5.647 11.300 -4.822 1.00 0.00 O ATOM 0 H TYR A 4 0.746 11.758 -2.416 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.911 9.442 -1.737 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.419 10.549 -4.192 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.053 8.861 -4.196 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.484 8.281 -3.547 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.201 12.260 -4.528 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.828 8.911 -4.038 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.550 12.900 -4.999 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.145 10.510 -5.119 1.00 0.00 H new ATOM 63 N CYS A 5 2.327 8.965 -2.162 1.00 0.00 N ATOM 64 CA CYS A 5 3.408 7.977 -1.851 1.00 0.00 C ATOM 65 C CYS A 5 3.359 7.631 -0.351 1.00 0.00 C ATOM 66 O CYS A 5 3.436 6.476 0.016 1.00 0.00 O ATOM 67 CB CYS A 5 4.779 8.583 -2.180 1.00 0.00 C ATOM 68 SG CYS A 5 5.074 8.470 -3.950 1.00 0.00 S ATOM 0 H CYS A 5 2.646 9.834 -2.590 1.00 0.00 H new ATOM 0 HA CYS A 5 3.257 7.078 -2.449 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.815 9.624 -1.860 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.562 8.055 -1.635 1.00 0.00 H new ATOM 73 N GLU A 6 3.262 8.597 0.519 1.00 0.00 N ATOM 74 CA GLU A 6 3.245 8.270 1.975 1.00 0.00 C ATOM 75 C GLU A 6 2.136 7.264 2.271 1.00 0.00 C ATOM 76 O GLU A 6 2.303 6.355 3.061 1.00 0.00 O ATOM 77 CB GLU A 6 3.010 9.546 2.781 1.00 0.00 C ATOM 78 CG GLU A 6 4.029 10.600 2.357 1.00 0.00 C ATOM 79 CD GLU A 6 5.441 10.107 2.676 1.00 0.00 C ATOM 80 OE1 GLU A 6 5.888 10.330 3.788 1.00 0.00 O ATOM 81 OE2 GLU A 6 6.052 9.513 1.802 1.00 0.00 O ATOM 0 H GLU A 6 3.194 9.589 0.290 1.00 0.00 H new ATOM 0 HA GLU A 6 4.204 7.834 2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.997 9.914 2.615 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.104 9.340 3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.936 10.802 1.290 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.834 11.538 2.877 1.00 0.00 H new ATOM 88 N VAL A 7 1.001 7.427 1.658 1.00 0.00 N ATOM 89 CA VAL A 7 -0.125 6.490 1.920 1.00 0.00 C ATOM 90 C VAL A 7 0.164 5.105 1.314 1.00 0.00 C ATOM 91 O VAL A 7 -0.140 4.092 1.910 1.00 0.00 O ATOM 92 CB VAL A 7 -1.417 7.089 1.346 1.00 0.00 C ATOM 93 CG1 VAL A 7 -2.531 6.034 1.350 1.00 0.00 C ATOM 94 CG2 VAL A 7 -1.852 8.317 2.177 1.00 0.00 C ATOM 0 H VAL A 7 0.803 8.168 0.986 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.242 6.353 2.995 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.231 7.407 0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.444 6.467 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.228 5.183 0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.713 5.701 2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.769 8.732 1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.028 8.014 3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.066 9.072 2.149 1.00 0.00 H new ATOM 104 N CYS A 8 0.748 5.040 0.139 1.00 0.00 N ATOM 105 CA CYS A 8 1.046 3.712 -0.479 1.00 0.00 C ATOM 106 C CYS A 8 1.957 2.917 0.450 1.00 0.00 C ATOM 107 O CYS A 8 1.721 1.757 0.725 1.00 0.00 O ATOM 108 CB CYS A 8 1.726 3.939 -1.844 1.00 0.00 C ATOM 109 SG CYS A 8 3.514 4.159 -1.662 1.00 0.00 S ATOM 0 H CYS A 8 1.029 5.849 -0.415 1.00 0.00 H new ATOM 0 HA CYS A 8 0.126 3.148 -0.630 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.527 3.089 -2.497 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.297 4.818 -2.325 1.00 0.00 H new ATOM 114 N GLU A 9 3.001 3.525 0.931 1.00 0.00 N ATOM 115 CA GLU A 9 3.922 2.795 1.831 1.00 0.00 C ATOM 116 C GLU A 9 3.208 2.483 3.142 1.00 0.00 C ATOM 117 O GLU A 9 3.524 1.510 3.797 1.00 0.00 O ATOM 118 CB GLU A 9 5.152 3.660 2.118 1.00 0.00 C ATOM 119 CG GLU A 9 5.872 3.983 0.808 1.00 0.00 C ATOM 120 CD GLU A 9 7.267 4.533 1.114 1.00 0.00 C ATOM 121 OE1 GLU A 9 7.361 5.701 1.454 1.00 0.00 O ATOM 122 OE2 GLU A 9 8.218 3.776 1.003 1.00 0.00 O ATOM 0 H GLU A 9 3.254 4.494 0.739 1.00 0.00 H new ATOM 0 HA GLU A 9 4.234 1.866 1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.852 4.582 2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.827 3.137 2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.950 3.086 0.193 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.299 4.713 0.236 1.00 0.00 H new ATOM 129 N PHE A 10 2.248 3.275 3.550 1.00 0.00 N ATOM 130 CA PHE A 10 1.560 2.951 4.825 1.00 0.00 C ATOM 131 C PHE A 10 0.721 1.676 4.650 1.00 0.00 C ATOM 132 O PHE A 10 0.786 0.772 5.458 1.00 0.00 O ATOM 133 CB PHE A 10 0.657 4.103 5.261 1.00 0.00 C ATOM 134 CG PHE A 10 -0.010 3.706 6.552 1.00 0.00 C ATOM 135 CD1 PHE A 10 0.650 3.907 7.768 1.00 0.00 C ATOM 136 CD2 PHE A 10 -1.273 3.108 6.528 1.00 0.00 C ATOM 137 CE1 PHE A 10 0.045 3.512 8.966 1.00 0.00 C ATOM 138 CE2 PHE A 10 -1.879 2.707 7.726 1.00 0.00 C ATOM 139 CZ PHE A 10 -1.219 2.911 8.947 1.00 0.00 C ATOM 0 H PHE A 10 1.921 4.111 3.066 1.00 0.00 H new ATOM 0 HA PHE A 10 2.315 2.791 5.595 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.240 5.014 5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.089 4.314 4.495 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.627 4.367 7.783 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.781 2.955 5.587 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.553 3.671 9.906 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.853 2.241 7.709 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.686 2.605 9.871 1.00 0.00 H new ATOM 149 N LEU A 11 -0.054 1.583 3.597 1.00 0.00 N ATOM 150 CA LEU A 11 -0.868 0.347 3.391 1.00 0.00 C ATOM 151 C LEU A 11 0.072 -0.844 3.225 1.00 0.00 C ATOM 152 O LEU A 11 -0.158 -1.899 3.782 1.00 0.00 O ATOM 153 CB LEU A 11 -1.739 0.470 2.128 1.00 0.00 C ATOM 154 CG LEU A 11 -2.747 1.623 2.286 1.00 0.00 C ATOM 155 CD1 LEU A 11 -3.253 2.056 0.907 1.00 0.00 C ATOM 156 CD2 LEU A 11 -3.945 1.176 3.136 1.00 0.00 C ATOM 0 H LEU A 11 -0.157 2.301 2.880 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.517 0.209 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.107 0.647 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.270 -0.465 1.952 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.246 2.455 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.966 2.872 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.412 2.391 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.741 1.213 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.648 2.003 3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.442 0.335 2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.597 0.872 4.123 1.00 0.00 H new ATOM 168 N VAL A 12 1.127 -0.703 2.468 1.00 0.00 N ATOM 169 CA VAL A 12 2.058 -1.846 2.285 1.00 0.00 C ATOM 170 C VAL A 12 2.613 -2.285 3.654 1.00 0.00 C ATOM 171 O VAL A 12 2.607 -3.452 3.983 1.00 0.00 O ATOM 172 CB VAL A 12 3.203 -1.394 1.359 1.00 0.00 C ATOM 173 CG1 VAL A 12 4.412 -2.323 1.492 1.00 0.00 C ATOM 174 CG2 VAL A 12 2.718 -1.412 -0.093 1.00 0.00 C ATOM 0 H VAL A 12 1.381 0.151 1.972 1.00 0.00 H new ATOM 0 HA VAL A 12 1.539 -2.694 1.838 1.00 0.00 H new ATOM 0 HB VAL A 12 3.502 -0.386 1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.207 -1.983 0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.769 -2.311 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.122 -3.338 1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.526 -1.092 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.410 -2.423 -0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.872 -0.734 -0.202 1.00 0.00 H new ATOM 184 N LYS A 13 3.083 -1.357 4.455 1.00 0.00 N ATOM 185 CA LYS A 13 3.631 -1.731 5.797 1.00 0.00 C ATOM 186 C LYS A 13 2.539 -2.428 6.617 1.00 0.00 C ATOM 187 O LYS A 13 2.778 -3.417 7.280 1.00 0.00 O ATOM 188 CB LYS A 13 4.107 -0.463 6.523 1.00 0.00 C ATOM 189 CG LYS A 13 4.372 -0.766 8.009 1.00 0.00 C ATOM 190 CD LYS A 13 5.349 0.263 8.588 1.00 0.00 C ATOM 191 CE LYS A 13 4.830 1.675 8.311 1.00 0.00 C ATOM 192 NZ LYS A 13 3.389 1.756 8.682 1.00 0.00 N ATOM 0 H LYS A 13 3.110 -0.361 4.238 1.00 0.00 H new ATOM 0 HA LYS A 13 4.474 -2.411 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.016 -0.087 6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.354 0.320 6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.435 -0.744 8.566 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.783 -1.770 8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.461 0.110 9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.336 0.133 8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.405 2.404 8.882 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.960 1.921 7.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.170 2.716 9.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.804 1.538 7.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.186 1.071 9.438 1.00 0.00 H new ATOM 206 N GLU A 14 1.351 -1.896 6.593 1.00 0.00 N ATOM 207 CA GLU A 14 0.242 -2.496 7.391 1.00 0.00 C ATOM 208 C GLU A 14 -0.160 -3.839 6.774 1.00 0.00 C ATOM 209 O GLU A 14 -0.485 -4.775 7.476 1.00 0.00 O ATOM 210 CB GLU A 14 -0.958 -1.514 7.396 1.00 0.00 C ATOM 211 CG GLU A 14 -1.310 -1.098 8.830 1.00 0.00 C ATOM 212 CD GLU A 14 -0.185 -0.232 9.401 1.00 0.00 C ATOM 213 OE1 GLU A 14 0.380 0.542 8.646 1.00 0.00 O ATOM 214 OE2 GLU A 14 0.092 -0.356 10.582 1.00 0.00 O ATOM 0 H GLU A 14 1.097 -1.068 6.054 1.00 0.00 H new ATOM 0 HA GLU A 14 0.564 -2.670 8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.715 -0.631 6.805 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.822 -1.984 6.926 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.249 -0.545 8.839 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.454 -1.982 9.451 1.00 0.00 H new ATOM 221 N VAL A 15 -0.162 -3.943 5.481 1.00 0.00 N ATOM 222 CA VAL A 15 -0.569 -5.230 4.862 1.00 0.00 C ATOM 223 C VAL A 15 0.474 -6.320 5.140 1.00 0.00 C ATOM 224 O VAL A 15 0.127 -7.438 5.435 1.00 0.00 O ATOM 225 CB VAL A 15 -0.763 -5.038 3.346 1.00 0.00 C ATOM 226 CG1 VAL A 15 -0.699 -6.399 2.625 1.00 0.00 C ATOM 227 CG2 VAL A 15 -2.127 -4.382 3.088 1.00 0.00 C ATOM 0 H VAL A 15 0.097 -3.202 4.830 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.513 -5.550 5.302 1.00 0.00 H new ATOM 0 HB VAL A 15 0.032 -4.398 2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.837 -6.250 1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.272 -6.861 2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.486 -7.050 3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.268 -4.245 2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.918 -5.022 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.165 -3.413 3.586 1.00 0.00 H new ATOM 237 N THR A 16 1.742 -6.043 5.026 1.00 0.00 N ATOM 238 CA THR A 16 2.706 -7.152 5.265 1.00 0.00 C ATOM 239 C THR A 16 2.597 -7.645 6.703 1.00 0.00 C ATOM 240 O THR A 16 2.684 -8.831 6.956 1.00 0.00 O ATOM 241 CB THR A 16 4.154 -6.752 4.988 1.00 0.00 C ATOM 242 OG1 THR A 16 4.708 -6.154 6.151 1.00 0.00 O ATOM 243 CG2 THR A 16 4.256 -5.771 3.810 1.00 0.00 C ATOM 0 H THR A 16 2.142 -5.135 4.788 1.00 0.00 H new ATOM 0 HA THR A 16 2.440 -7.945 4.566 1.00 0.00 H new ATOM 0 HB THR A 16 4.709 -7.652 4.724 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.638 -5.898 5.976 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.301 -5.510 3.644 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.851 -6.237 2.912 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.688 -4.869 4.038 1.00 0.00 H new ATOM 251 N LYS A 17 2.399 -6.780 7.656 1.00 0.00 N ATOM 252 CA LYS A 17 2.284 -7.292 9.045 1.00 0.00 C ATOM 253 C LYS A 17 1.066 -8.210 9.082 1.00 0.00 C ATOM 254 O LYS A 17 1.018 -9.191 9.799 1.00 0.00 O ATOM 255 CB LYS A 17 2.102 -6.138 10.042 1.00 0.00 C ATOM 256 CG LYS A 17 1.548 -6.692 11.371 1.00 0.00 C ATOM 257 CD LYS A 17 1.892 -5.764 12.533 1.00 0.00 C ATOM 258 CE LYS A 17 1.420 -6.415 13.837 1.00 0.00 C ATOM 259 NZ LYS A 17 2.002 -5.684 14.998 1.00 0.00 N ATOM 0 H LYS A 17 2.314 -5.770 7.539 1.00 0.00 H new ATOM 0 HA LYS A 17 3.191 -7.826 9.328 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.055 -5.637 10.213 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.419 -5.393 9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.466 -6.806 11.299 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.962 -7.683 11.557 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.966 -5.584 12.568 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.411 -4.795 12.398 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.332 -6.397 13.891 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.723 -7.462 13.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.681 -6.126 15.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.040 -5.723 14.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.691 -4.692 14.975 1.00 0.00 H new ATOM 273 N LEU A 18 0.083 -7.881 8.295 1.00 0.00 N ATOM 274 CA LEU A 18 -1.152 -8.701 8.241 1.00 0.00 C ATOM 275 C LEU A 18 -0.807 -10.012 7.525 1.00 0.00 C ATOM 276 O LEU A 18 -1.297 -11.069 7.868 1.00 0.00 O ATOM 277 CB LEU A 18 -2.248 -7.922 7.478 1.00 0.00 C ATOM 278 CG LEU A 18 -2.820 -6.682 8.271 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.342 -6.793 8.399 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.249 -6.534 9.696 1.00 0.00 C ATOM 0 H LEU A 18 0.085 -7.068 7.679 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.529 -8.919 9.240 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.840 -7.577 6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.068 -8.602 7.245 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.520 -5.809 7.692 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.725 -5.932 8.948 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.790 -6.818 7.406 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.596 -7.707 8.935 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.690 -5.660 10.176 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.486 -7.425 10.277 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.167 -6.412 9.644 1.00 0.00 H new ATOM 292 N ILE A 19 0.070 -9.950 6.559 1.00 0.00 N ATOM 293 CA ILE A 19 0.497 -11.185 5.845 1.00 0.00 C ATOM 294 C ILE A 19 1.384 -11.978 6.800 1.00 0.00 C ATOM 295 O ILE A 19 1.408 -13.192 6.792 1.00 0.00 O ATOM 296 CB ILE A 19 1.295 -10.806 4.585 1.00 0.00 C ATOM 297 CG1 ILE A 19 0.360 -10.096 3.596 1.00 0.00 C ATOM 298 CG2 ILE A 19 1.875 -12.065 3.928 1.00 0.00 C ATOM 299 CD1 ILE A 19 1.147 -9.641 2.365 1.00 0.00 C ATOM 0 H ILE A 19 0.511 -9.090 6.233 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.367 -11.776 5.540 1.00 0.00 H new ATOM 0 HB ILE A 19 2.115 -10.144 4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.443 -10.769 3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.107 -9.237 4.077 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.438 -11.784 3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.537 -12.570 4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.063 -12.736 3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.475 -9.138 1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.935 -8.952 2.671 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.593 -10.508 1.877 1.00 0.00 H new ATOM 311 N ASP A 20 2.119 -11.279 7.620 1.00 0.00 N ATOM 312 CA ASP A 20 3.024 -11.952 8.585 1.00 0.00 C ATOM 313 C ASP A 20 2.224 -12.528 9.755 1.00 0.00 C ATOM 314 O ASP A 20 2.671 -13.446 10.411 1.00 0.00 O ATOM 315 CB ASP A 20 4.037 -10.936 9.118 1.00 0.00 C ATOM 316 CG ASP A 20 5.078 -11.655 9.978 1.00 0.00 C ATOM 317 OD1 ASP A 20 6.041 -12.150 9.417 1.00 0.00 O ATOM 318 OD2 ASP A 20 4.894 -11.698 11.183 1.00 0.00 O ATOM 0 H ASP A 20 2.129 -10.260 7.661 1.00 0.00 H new ATOM 0 HA ASP A 20 3.541 -12.766 8.077 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.526 -10.425 8.289 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.527 -10.173 9.707 1.00 0.00 H new ATOM 323 N ASN A 21 1.049 -12.000 10.039 1.00 0.00 N ATOM 324 CA ASN A 21 0.260 -12.549 11.193 1.00 0.00 C ATOM 325 C ASN A 21 -0.610 -13.719 10.709 1.00 0.00 C ATOM 326 O ASN A 21 -1.310 -14.331 11.485 1.00 0.00 O ATOM 327 CB ASN A 21 -0.585 -11.454 11.848 1.00 0.00 C ATOM 328 CG ASN A 21 -1.242 -12.004 13.116 1.00 0.00 C ATOM 329 OD1 ASN A 21 -0.777 -11.756 14.211 1.00 0.00 O ATOM 330 ND2 ASN A 21 -2.310 -12.745 13.015 1.00 0.00 N ATOM 0 H ASN A 21 0.612 -11.230 9.533 1.00 0.00 H new ATOM 0 HA ASN A 21 0.948 -12.919 11.953 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.040 -10.595 12.093 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.348 -11.104 11.153 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.755 -13.116 13.855 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.701 -12.954 12.096 1.00 0.00 H new ATOM 337 N ASN A 22 -0.505 -14.074 9.448 1.00 0.00 N ATOM 338 CA ASN A 22 -1.251 -15.269 8.906 1.00 0.00 C ATOM 339 C ASN A 22 -2.733 -14.987 8.611 1.00 0.00 C ATOM 340 O ASN A 22 -3.575 -15.822 8.877 1.00 0.00 O ATOM 341 CB ASN A 22 -1.164 -16.439 9.907 1.00 0.00 C ATOM 342 CG ASN A 22 0.208 -16.441 10.585 1.00 0.00 C ATOM 343 OD1 ASN A 22 1.219 -16.249 9.937 1.00 0.00 O ATOM 344 ND2 ASN A 22 0.289 -16.651 11.870 1.00 0.00 N ATOM 0 H ASN A 22 0.070 -13.585 8.762 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.772 -15.520 7.960 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.950 -16.347 10.657 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.326 -17.385 9.390 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.199 -16.654 12.330 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.558 -16.812 12.415 1.00 0.00 H new ATOM 351 N LYS A 23 -3.078 -13.857 8.053 1.00 0.00 N ATOM 352 CA LYS A 23 -4.525 -13.597 7.743 1.00 0.00 C ATOM 353 C LYS A 23 -4.785 -13.967 6.273 1.00 0.00 C ATOM 354 O LYS A 23 -3.908 -13.882 5.435 1.00 0.00 O ATOM 355 CB LYS A 23 -4.842 -12.120 7.987 1.00 0.00 C ATOM 356 CG LYS A 23 -4.170 -11.621 9.307 1.00 0.00 C ATOM 357 CD LYS A 23 -5.181 -10.898 10.222 1.00 0.00 C ATOM 358 CE LYS A 23 -4.545 -10.641 11.589 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.582 -10.129 12.529 1.00 0.00 N ATOM 0 H LYS A 23 -2.434 -13.108 7.799 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.166 -14.199 8.387 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.489 -11.524 7.146 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.921 -11.980 8.047 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.739 -12.469 9.839 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.350 -10.945 9.065 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.487 -9.955 9.769 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.080 -11.503 10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.108 -11.561 11.978 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.735 -9.918 11.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.151 -9.954 13.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.979 -9.242 12.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.341 -10.834 12.626 1.00 0.00 H new ATOM 373 N THR A 24 -5.991 -14.379 5.959 1.00 0.00 N ATOM 374 CA THR A 24 -6.325 -14.762 4.551 1.00 0.00 C ATOM 375 C THR A 24 -6.572 -13.519 3.687 1.00 0.00 C ATOM 376 O THR A 24 -6.812 -12.439 4.189 1.00 0.00 O ATOM 377 CB THR A 24 -7.599 -15.626 4.531 1.00 0.00 C ATOM 378 OG1 THR A 24 -8.736 -14.788 4.378 1.00 0.00 O ATOM 379 CG2 THR A 24 -7.726 -16.409 5.836 1.00 0.00 C ATOM 0 H THR A 24 -6.762 -14.467 6.622 1.00 0.00 H new ATOM 0 HA THR A 24 -5.479 -15.320 4.149 1.00 0.00 H new ATOM 0 HB THR A 24 -7.538 -16.326 3.698 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.551 -15.313 4.523 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.631 -17.016 5.809 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.858 -17.057 5.958 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.780 -15.714 6.674 1.00 0.00 H new ATOM 387 N GLU A 25 -6.542 -13.677 2.389 1.00 0.00 N ATOM 388 CA GLU A 25 -6.802 -12.518 1.485 1.00 0.00 C ATOM 389 C GLU A 25 -8.161 -11.916 1.864 1.00 0.00 C ATOM 390 O GLU A 25 -8.315 -10.715 1.975 1.00 0.00 O ATOM 391 CB GLU A 25 -6.827 -13.006 0.031 1.00 0.00 C ATOM 392 CG GLU A 25 -6.685 -11.818 -0.924 1.00 0.00 C ATOM 393 CD GLU A 25 -7.143 -12.227 -2.327 1.00 0.00 C ATOM 394 OE1 GLU A 25 -6.818 -13.329 -2.736 1.00 0.00 O ATOM 395 OE2 GLU A 25 -7.808 -11.430 -2.967 1.00 0.00 O ATOM 0 H GLU A 25 -6.348 -14.560 1.916 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.021 -11.765 1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.017 -13.716 -0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.760 -13.533 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.281 -10.978 -0.567 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.648 -11.484 -0.952 1.00 0.00 H new ATOM 402 N LYS A 26 -9.146 -12.751 2.055 1.00 0.00 N ATOM 403 CA LYS A 26 -10.507 -12.262 2.420 1.00 0.00 C ATOM 404 C LYS A 26 -10.454 -11.381 3.673 1.00 0.00 C ATOM 405 O LYS A 26 -11.231 -10.459 3.820 1.00 0.00 O ATOM 406 CB LYS A 26 -11.430 -13.466 2.665 1.00 0.00 C ATOM 407 CG LYS A 26 -12.879 -12.996 2.956 1.00 0.00 C ATOM 408 CD LYS A 26 -13.157 -12.999 4.467 1.00 0.00 C ATOM 409 CE LYS A 26 -14.608 -12.586 4.719 1.00 0.00 C ATOM 410 NZ LYS A 26 -14.770 -11.136 4.419 1.00 0.00 N ATOM 0 H LYS A 26 -9.065 -13.764 1.973 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.896 -11.660 1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.423 -14.120 1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.057 -14.052 3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.029 -11.993 2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.588 -13.651 2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.973 -13.991 4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.479 -12.312 4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.279 -13.175 4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.880 -12.787 5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.216 -10.661 5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.837 -10.712 4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.370 -11.021 3.578 1.00 0.00 H new ATOM 424 N GLU A 27 -9.562 -11.653 4.581 1.00 0.00 N ATOM 425 CA GLU A 27 -9.492 -10.820 5.818 1.00 0.00 C ATOM 426 C GLU A 27 -8.820 -9.471 5.518 1.00 0.00 C ATOM 427 O GLU A 27 -9.184 -8.458 6.081 1.00 0.00 O ATOM 428 CB GLU A 27 -8.679 -11.547 6.890 1.00 0.00 C ATOM 429 CG GLU A 27 -9.484 -12.699 7.485 1.00 0.00 C ATOM 430 CD GLU A 27 -8.568 -13.570 8.348 1.00 0.00 C ATOM 431 OE1 GLU A 27 -7.480 -13.881 7.892 1.00 0.00 O ATOM 432 OE2 GLU A 27 -8.970 -13.908 9.448 1.00 0.00 O ATOM 0 H GLU A 27 -8.881 -12.410 4.524 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.508 -10.649 6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.754 -11.928 6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.398 -10.848 7.677 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.306 -12.310 8.086 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.927 -13.297 6.688 1.00 0.00 H new ATOM 439 N ILE A 28 -7.843 -9.441 4.656 1.00 0.00 N ATOM 440 CA ILE A 28 -7.162 -8.147 4.354 1.00 0.00 C ATOM 441 C ILE A 28 -8.156 -7.207 3.684 1.00 0.00 C ATOM 442 O ILE A 28 -8.200 -6.028 3.973 1.00 0.00 O ATOM 443 CB ILE A 28 -5.955 -8.442 3.448 1.00 0.00 C ATOM 444 CG1 ILE A 28 -5.243 -9.706 4.011 1.00 0.00 C ATOM 445 CG2 ILE A 28 -5.017 -7.228 3.406 1.00 0.00 C ATOM 446 CD1 ILE A 28 -3.713 -9.648 3.894 1.00 0.00 C ATOM 0 H ILE A 28 -7.486 -10.251 4.149 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.806 -7.662 5.263 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.270 -8.632 2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.515 -9.831 5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.607 -10.586 3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.166 -7.448 2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.556 -6.365 3.014 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.662 -7.007 4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.282 -10.561 4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.432 -9.554 2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.338 -8.788 4.448 1.00 0.00 H new ATOM 458 N LEU A 29 -8.966 -7.714 2.804 1.00 0.00 N ATOM 459 CA LEU A 29 -9.967 -6.847 2.135 1.00 0.00 C ATOM 460 C LEU A 29 -11.073 -6.482 3.134 1.00 0.00 C ATOM 461 O LEU A 29 -11.680 -5.436 3.058 1.00 0.00 O ATOM 462 CB LEU A 29 -10.554 -7.605 0.945 1.00 0.00 C ATOM 463 CG LEU A 29 -9.411 -8.137 0.069 1.00 0.00 C ATOM 464 CD1 LEU A 29 -9.999 -8.968 -1.076 1.00 0.00 C ATOM 465 CD2 LEU A 29 -8.609 -6.959 -0.510 1.00 0.00 C ATOM 0 H LEU A 29 -8.978 -8.693 2.519 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.498 -5.928 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.174 -8.430 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.198 -6.947 0.362 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.749 -8.759 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.191 -9.348 -1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.565 -9.804 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.660 -8.343 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.799 -7.341 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.266 -6.334 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.193 -6.366 0.305 1.00 0.00 H new ATOM 477 N ASP A 30 -11.320 -7.341 4.086 1.00 0.00 N ATOM 478 CA ASP A 30 -12.358 -7.038 5.114 1.00 0.00 C ATOM 479 C ASP A 30 -11.842 -5.899 6.002 1.00 0.00 C ATOM 480 O ASP A 30 -12.564 -4.977 6.326 1.00 0.00 O ATOM 481 CB ASP A 30 -12.621 -8.283 5.966 1.00 0.00 C ATOM 482 CG ASP A 30 -13.828 -8.036 6.873 1.00 0.00 C ATOM 483 OD1 ASP A 30 -13.945 -6.933 7.381 1.00 0.00 O ATOM 484 OD2 ASP A 30 -14.614 -8.953 7.041 1.00 0.00 O ATOM 0 H ASP A 30 -10.849 -8.239 4.197 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.289 -6.742 4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.806 -9.144 5.323 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.743 -8.517 6.568 1.00 0.00 H new ATOM 489 N ALA A 31 -10.605 -5.967 6.414 1.00 0.00 N ATOM 490 CA ALA A 31 -10.044 -4.904 7.302 1.00 0.00 C ATOM 491 C ALA A 31 -9.920 -3.577 6.535 1.00 0.00 C ATOM 492 O ALA A 31 -9.942 -2.517 7.129 1.00 0.00 O ATOM 493 CB ALA A 31 -8.668 -5.350 7.800 1.00 0.00 C ATOM 0 H ALA A 31 -9.955 -6.715 6.174 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.712 -4.750 8.150 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.249 -4.581 8.449 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.767 -6.281 8.358 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.006 -5.506 6.948 1.00 0.00 H new ATOM 499 N PHE A 32 -9.821 -3.607 5.238 1.00 0.00 N ATOM 500 CA PHE A 32 -9.731 -2.328 4.466 1.00 0.00 C ATOM 501 C PHE A 32 -10.906 -1.422 4.845 1.00 0.00 C ATOM 502 O PHE A 32 -10.914 -0.244 4.546 1.00 0.00 O ATOM 503 CB PHE A 32 -9.806 -2.673 2.969 1.00 0.00 C ATOM 504 CG PHE A 32 -8.448 -3.099 2.412 1.00 0.00 C ATOM 505 CD1 PHE A 32 -7.365 -3.465 3.248 1.00 0.00 C ATOM 506 CD2 PHE A 32 -8.275 -3.111 1.021 1.00 0.00 C ATOM 507 CE1 PHE A 32 -6.138 -3.829 2.682 1.00 0.00 C ATOM 508 CE2 PHE A 32 -7.042 -3.474 0.465 1.00 0.00 C ATOM 509 CZ PHE A 32 -5.976 -3.829 1.294 1.00 0.00 C ATOM 0 H PHE A 32 -9.798 -4.457 4.675 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.799 -1.809 4.689 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.528 -3.475 2.817 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.170 -1.808 2.415 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.486 -3.463 4.321 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.097 -2.839 0.375 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.313 -4.111 3.320 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.915 -3.479 -0.608 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.025 -4.104 0.862 1.00 0.00 H new ATOM 519 N ASP A 33 -11.910 -1.965 5.473 1.00 0.00 N ATOM 520 CA ASP A 33 -13.093 -1.138 5.837 1.00 0.00 C ATOM 521 C ASP A 33 -12.814 -0.310 7.094 1.00 0.00 C ATOM 522 O ASP A 33 -13.496 0.660 7.358 1.00 0.00 O ATOM 523 CB ASP A 33 -14.287 -2.059 6.094 1.00 0.00 C ATOM 524 CG ASP A 33 -14.599 -2.854 4.825 1.00 0.00 C ATOM 525 OD1 ASP A 33 -15.014 -2.242 3.854 1.00 0.00 O ATOM 526 OD2 ASP A 33 -14.418 -4.059 4.844 1.00 0.00 O ATOM 0 H ASP A 33 -11.963 -2.945 5.750 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.310 -0.457 5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.065 -2.739 6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.156 -1.472 6.391 1.00 0.00 H new ATOM 531 N LYS A 34 -11.816 -0.670 7.868 1.00 0.00 N ATOM 532 CA LYS A 34 -11.492 0.116 9.106 1.00 0.00 C ATOM 533 C LYS A 34 -9.990 0.421 9.143 1.00 0.00 C ATOM 534 O LYS A 34 -9.469 0.865 10.146 1.00 0.00 O ATOM 535 CB LYS A 34 -11.890 -0.681 10.353 1.00 0.00 C ATOM 536 CG LYS A 34 -11.381 -2.118 10.240 1.00 0.00 C ATOM 537 CD LYS A 34 -11.669 -2.874 11.544 1.00 0.00 C ATOM 538 CE LYS A 34 -13.162 -3.213 11.646 1.00 0.00 C ATOM 539 NZ LYS A 34 -13.358 -4.267 12.681 1.00 0.00 N ATOM 0 H LYS A 34 -11.211 -1.474 7.697 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.051 1.052 9.091 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.476 -0.209 11.244 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.974 -0.678 10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.865 -2.621 9.403 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.310 -2.120 10.037 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.078 -3.789 11.579 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.368 -2.267 12.398 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.732 -2.321 11.906 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.535 -3.560 10.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.369 -4.499 12.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.825 -5.119 12.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.017 -3.919 13.600 1.00 0.00 H new ATOM 553 N MET A 35 -9.283 0.192 8.063 1.00 0.00 N ATOM 554 CA MET A 35 -7.817 0.485 8.063 1.00 0.00 C ATOM 555 C MET A 35 -7.614 1.985 7.831 1.00 0.00 C ATOM 556 O MET A 35 -6.789 2.598 8.479 1.00 0.00 O ATOM 557 CB MET A 35 -7.121 -0.345 6.959 1.00 0.00 C ATOM 558 CG MET A 35 -5.869 -1.040 7.501 1.00 0.00 C ATOM 559 SD MET A 35 -4.870 -1.648 6.113 1.00 0.00 S ATOM 560 CE MET A 35 -5.150 -3.422 6.360 1.00 0.00 C ATOM 0 H MET A 35 -9.654 -0.182 7.189 1.00 0.00 H new ATOM 0 HA MET A 35 -7.376 0.211 9.022 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.814 -1.090 6.568 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.849 0.305 6.127 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.287 -0.345 8.106 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.152 -1.868 8.151 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.613 -3.985 5.597 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.789 -3.713 7.347 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.216 -3.636 6.286 1.00 0.00 H new ATOM 570 N CYS A 36 -8.347 2.608 6.938 1.00 0.00 N ATOM 571 CA CYS A 36 -8.125 4.065 6.764 1.00 0.00 C ATOM 572 C CYS A 36 -8.519 4.729 8.078 1.00 0.00 C ATOM 573 O CYS A 36 -8.393 5.925 8.250 1.00 0.00 O ATOM 574 CB CYS A 36 -8.956 4.636 5.609 1.00 0.00 C ATOM 575 SG CYS A 36 -8.153 6.125 4.983 1.00 0.00 S ATOM 0 H CYS A 36 -9.061 2.184 6.346 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.081 4.256 6.516 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.051 3.897 4.813 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.965 4.868 5.951 1.00 0.00 H new ATOM 580 N SER A 37 -9.001 3.951 9.009 1.00 0.00 N ATOM 581 CA SER A 37 -9.412 4.531 10.322 1.00 0.00 C ATOM 582 C SER A 37 -8.192 4.688 11.241 1.00 0.00 C ATOM 583 O SER A 37 -8.333 4.990 12.410 1.00 0.00 O ATOM 584 CB SER A 37 -10.435 3.609 10.991 1.00 0.00 C ATOM 585 OG SER A 37 -11.136 4.335 11.991 1.00 0.00 O ATOM 0 H SER A 37 -9.128 2.943 8.919 1.00 0.00 H new ATOM 0 HA SER A 37 -9.855 5.512 10.150 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.133 3.222 10.249 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.932 2.749 11.434 1.00 0.00 H new ATOM 0 HG SER A 37 -10.497 4.830 12.544 1.00 0.00 H new ATOM 591 N LYS A 38 -6.999 4.482 10.729 1.00 0.00 N ATOM 592 CA LYS A 38 -5.765 4.617 11.578 1.00 0.00 C ATOM 593 C LYS A 38 -4.914 5.799 11.086 1.00 0.00 C ATOM 594 O LYS A 38 -3.783 5.966 11.497 1.00 0.00 O ATOM 595 CB LYS A 38 -4.950 3.315 11.506 1.00 0.00 C ATOM 596 CG LYS A 38 -5.581 2.259 12.418 1.00 0.00 C ATOM 597 CD LYS A 38 -4.726 0.990 12.397 1.00 0.00 C ATOM 598 CE LYS A 38 -5.494 -0.156 13.059 1.00 0.00 C ATOM 599 NZ LYS A 38 -4.625 -1.365 13.124 1.00 0.00 N ATOM 0 H LYS A 38 -6.825 4.225 9.757 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.057 4.803 12.612 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.919 2.951 10.479 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.920 3.502 11.809 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.658 2.641 13.436 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.594 2.033 12.084 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.473 0.727 11.370 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.787 1.163 12.922 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.807 0.134 14.062 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.399 -0.376 12.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.147 -2.144 13.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.347 -1.645 12.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.774 -1.151 13.682 1.00 0.00 H new ATOM 613 N LEU A 39 -5.455 6.625 10.220 1.00 0.00 N ATOM 614 CA LEU A 39 -4.695 7.816 9.700 1.00 0.00 C ATOM 615 C LEU A 39 -5.495 9.088 10.047 1.00 0.00 C ATOM 616 O LEU A 39 -6.708 9.057 9.985 1.00 0.00 O ATOM 617 CB LEU A 39 -4.588 7.723 8.169 1.00 0.00 C ATOM 618 CG LEU A 39 -3.871 6.436 7.746 1.00 0.00 C ATOM 619 CD1 LEU A 39 -3.896 6.330 6.220 1.00 0.00 C ATOM 620 CD2 LEU A 39 -2.409 6.460 8.223 1.00 0.00 C ATOM 0 H LEU A 39 -6.399 6.526 9.846 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.700 7.844 10.144 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.585 7.750 7.729 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.047 8.588 7.785 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.378 5.581 8.193 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.388 5.417 5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.929 6.305 5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.389 7.192 5.787 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.911 5.540 7.916 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.896 7.315 7.782 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.382 6.542 9.310 1.00 0.00 H new ATOM 632 N PRO A 40 -4.832 10.184 10.388 1.00 0.00 N ATOM 633 CA PRO A 40 -5.554 11.424 10.708 1.00 0.00 C ATOM 634 C PRO A 40 -6.654 11.680 9.658 1.00 0.00 C ATOM 635 O PRO A 40 -6.599 11.139 8.573 1.00 0.00 O ATOM 636 CB PRO A 40 -4.465 12.523 10.730 1.00 0.00 C ATOM 637 CG PRO A 40 -3.087 11.801 10.696 1.00 0.00 C ATOM 638 CD PRO A 40 -3.358 10.295 10.491 1.00 0.00 C ATOM 0 HA PRO A 40 -6.075 11.389 11.665 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.572 13.189 9.874 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.556 13.138 11.625 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.469 12.193 9.888 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.543 11.970 11.625 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.870 9.925 9.589 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.975 9.707 11.325 1.00 0.00 H new ATOM 646 N LYS A 41 -7.657 12.460 9.951 1.00 0.00 N ATOM 647 CA LYS A 41 -8.728 12.671 8.932 1.00 0.00 C ATOM 648 C LYS A 41 -8.196 13.402 7.694 1.00 0.00 C ATOM 649 O LYS A 41 -8.855 13.464 6.675 1.00 0.00 O ATOM 650 CB LYS A 41 -9.889 13.462 9.537 1.00 0.00 C ATOM 651 CG LYS A 41 -11.182 13.203 8.730 1.00 0.00 C ATOM 652 CD LYS A 41 -11.879 11.915 9.225 1.00 0.00 C ATOM 653 CE LYS A 41 -12.885 12.247 10.335 1.00 0.00 C ATOM 654 NZ LYS A 41 -12.332 13.317 11.212 1.00 0.00 N ATOM 0 H LYS A 41 -7.783 12.953 10.835 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.080 11.688 8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.035 13.171 10.577 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.655 14.527 9.534 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.858 14.052 8.832 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.944 13.111 7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.391 11.428 8.395 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.135 11.211 9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.829 12.574 9.898 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.098 11.355 10.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.002 13.515 11.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.426 13.003 11.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.182 14.181 10.653 1.00 0.00 H new ATOM 668 N SER A 42 -7.056 14.031 7.789 1.00 0.00 N ATOM 669 CA SER A 42 -6.566 14.835 6.631 1.00 0.00 C ATOM 670 C SER A 42 -6.093 13.976 5.454 1.00 0.00 C ATOM 671 O SER A 42 -5.915 14.463 4.355 1.00 0.00 O ATOM 672 CB SER A 42 -5.460 15.789 7.081 1.00 0.00 C ATOM 673 OG SER A 42 -5.979 16.677 8.063 1.00 0.00 O ATOM 0 H SER A 42 -6.448 14.024 8.608 1.00 0.00 H new ATOM 0 HA SER A 42 -7.417 15.410 6.266 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.621 15.225 7.490 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.080 16.352 6.229 1.00 0.00 H new ATOM 0 HG SER A 42 -5.273 17.290 8.356 1.00 0.00 H new ATOM 679 N LEU A 43 -5.915 12.696 5.675 1.00 0.00 N ATOM 680 CA LEU A 43 -5.478 11.776 4.568 1.00 0.00 C ATOM 681 C LEU A 43 -6.610 10.790 4.271 1.00 0.00 C ATOM 682 O LEU A 43 -6.483 9.944 3.409 1.00 0.00 O ATOM 683 CB LEU A 43 -4.236 10.973 4.981 1.00 0.00 C ATOM 684 CG LEU A 43 -3.173 11.884 5.594 1.00 0.00 C ATOM 685 CD1 LEU A 43 -1.904 11.077 5.879 1.00 0.00 C ATOM 686 CD2 LEU A 43 -2.838 13.029 4.632 1.00 0.00 C ATOM 0 H LEU A 43 -6.053 12.243 6.578 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.238 12.377 3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.519 10.203 5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.824 10.461 4.111 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.562 12.299 6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.148 11.730 6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.134 10.271 6.576 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.525 10.655 4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.080 13.671 5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.459 12.619 3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.737 13.613 4.434 1.00 0.00 H new ATOM 698 N SER A 44 -7.705 10.878 4.994 1.00 0.00 N ATOM 699 CA SER A 44 -8.853 9.936 4.774 1.00 0.00 C ATOM 700 C SER A 44 -9.004 9.622 3.285 1.00 0.00 C ATOM 701 O SER A 44 -8.840 8.511 2.828 1.00 0.00 O ATOM 702 CB SER A 44 -10.141 10.576 5.292 1.00 0.00 C ATOM 703 OG SER A 44 -11.253 9.786 4.891 1.00 0.00 O ATOM 0 H SER A 44 -7.853 11.567 5.732 1.00 0.00 H new ATOM 0 HA SER A 44 -8.658 9.009 5.313 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.110 10.655 6.379 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.240 11.589 4.901 1.00 0.00 H new ATOM 0 HG SER A 44 -12.080 10.193 5.223 1.00 0.00 H new ATOM 709 N GLU A 45 -9.472 10.613 2.579 1.00 0.00 N ATOM 710 CA GLU A 45 -9.853 10.502 1.143 1.00 0.00 C ATOM 711 C GLU A 45 -8.825 9.942 0.172 1.00 0.00 C ATOM 712 O GLU A 45 -9.087 9.013 -0.566 1.00 0.00 O ATOM 713 CB GLU A 45 -10.179 11.912 0.655 1.00 0.00 C ATOM 714 CG GLU A 45 -11.304 12.510 1.504 1.00 0.00 C ATOM 715 CD GLU A 45 -11.652 13.904 0.979 1.00 0.00 C ATOM 716 OE1 GLU A 45 -12.275 13.985 -0.067 1.00 0.00 O ATOM 717 OE2 GLU A 45 -11.288 14.868 1.633 1.00 0.00 O ATOM 0 H GLU A 45 -9.613 11.547 2.963 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.673 9.784 1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.291 12.542 0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.478 11.884 -0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.183 11.866 1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.995 12.569 2.547 1.00 0.00 H new ATOM 724 N GLU A 46 -7.657 10.498 0.170 1.00 0.00 N ATOM 725 CA GLU A 46 -6.603 10.005 -0.744 1.00 0.00 C ATOM 726 C GLU A 46 -6.389 8.511 -0.514 1.00 0.00 C ATOM 727 O GLU A 46 -5.907 7.810 -1.374 1.00 0.00 O ATOM 728 CB GLU A 46 -5.303 10.773 -0.475 1.00 0.00 C ATOM 729 CG GLU A 46 -5.619 12.239 -0.144 1.00 0.00 C ATOM 730 CD GLU A 46 -6.577 12.817 -1.189 1.00 0.00 C ATOM 731 OE1 GLU A 46 -7.767 12.578 -1.069 1.00 0.00 O ATOM 732 OE2 GLU A 46 -6.104 13.490 -2.090 1.00 0.00 O ATOM 0 H GLU A 46 -7.384 11.279 0.766 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.905 10.164 -1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.763 10.313 0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.652 10.721 -1.348 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.065 12.308 0.848 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.698 12.822 -0.121 1.00 0.00 H new ATOM 739 N CYS A 47 -6.758 8.010 0.630 1.00 0.00 N ATOM 740 CA CYS A 47 -6.581 6.558 0.881 1.00 0.00 C ATOM 741 C CYS A 47 -7.734 5.815 0.210 1.00 0.00 C ATOM 742 O CYS A 47 -7.549 4.791 -0.418 1.00 0.00 O ATOM 743 CB CYS A 47 -6.587 6.308 2.404 1.00 0.00 C ATOM 744 SG CYS A 47 -8.255 5.895 2.985 1.00 0.00 S ATOM 0 H CYS A 47 -7.172 8.541 1.397 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.635 6.203 0.473 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.902 5.496 2.646 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.226 7.195 2.924 1.00 0.00 H new ATOM 749 N GLN A 48 -8.923 6.321 0.342 1.00 0.00 N ATOM 750 CA GLN A 48 -10.083 5.638 -0.285 1.00 0.00 C ATOM 751 C GLN A 48 -9.794 5.412 -1.767 1.00 0.00 C ATOM 752 O GLN A 48 -10.086 4.369 -2.316 1.00 0.00 O ATOM 753 CB GLN A 48 -11.338 6.499 -0.130 1.00 0.00 C ATOM 754 CG GLN A 48 -12.545 5.746 -0.691 1.00 0.00 C ATOM 755 CD GLN A 48 -13.819 6.553 -0.434 1.00 0.00 C ATOM 756 OE1 GLN A 48 -13.755 7.713 -0.080 1.00 0.00 O ATOM 757 NE2 GLN A 48 -14.982 5.984 -0.597 1.00 0.00 N ATOM 0 H GLN A 48 -9.142 7.175 0.855 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.248 4.679 0.205 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -11.501 6.737 0.921 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.210 7.445 -0.655 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.417 5.580 -1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -12.624 4.765 -0.223 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -15.036 5.010 -0.894 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -15.837 6.513 -0.427 1.00 0.00 H new ATOM 766 N GLU A 49 -9.236 6.392 -2.426 1.00 0.00 N ATOM 767 CA GLU A 49 -8.945 6.242 -3.876 1.00 0.00 C ATOM 768 C GLU A 49 -7.827 5.217 -4.092 1.00 0.00 C ATOM 769 O GLU A 49 -7.883 4.411 -4.999 1.00 0.00 O ATOM 770 CB GLU A 49 -8.516 7.595 -4.450 1.00 0.00 C ATOM 771 CG GLU A 49 -9.734 8.515 -4.554 1.00 0.00 C ATOM 772 CD GLU A 49 -9.276 9.923 -4.939 1.00 0.00 C ATOM 773 OE1 GLU A 49 -8.396 10.031 -5.776 1.00 0.00 O ATOM 774 OE2 GLU A 49 -9.816 10.870 -4.391 1.00 0.00 O ATOM 0 H GLU A 49 -8.970 7.289 -2.020 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.844 5.893 -4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.758 8.049 -3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.065 7.458 -5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.431 8.131 -5.299 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.266 8.541 -3.603 1.00 0.00 H new ATOM 781 N VAL A 50 -6.814 5.230 -3.260 1.00 0.00 N ATOM 782 CA VAL A 50 -5.714 4.242 -3.429 1.00 0.00 C ATOM 783 C VAL A 50 -6.238 2.853 -3.088 1.00 0.00 C ATOM 784 O VAL A 50 -6.083 1.917 -3.847 1.00 0.00 O ATOM 785 CB VAL A 50 -4.537 4.566 -2.497 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.399 3.567 -2.745 1.00 0.00 C ATOM 787 CG2 VAL A 50 -4.032 5.996 -2.763 1.00 0.00 C ATOM 0 H VAL A 50 -6.705 5.877 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.368 4.283 -4.462 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.871 4.493 -1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.563 3.796 -2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.753 2.556 -2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.072 3.639 -3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.197 6.217 -2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.702 6.079 -3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.839 6.706 -2.581 1.00 0.00 H new ATOM 797 N VAL A 51 -6.831 2.697 -1.932 1.00 0.00 N ATOM 798 CA VAL A 51 -7.325 1.355 -1.532 1.00 0.00 C ATOM 799 C VAL A 51 -8.365 0.856 -2.543 1.00 0.00 C ATOM 800 O VAL A 51 -8.289 -0.247 -3.044 1.00 0.00 O ATOM 801 CB VAL A 51 -7.882 1.422 -0.103 1.00 0.00 C ATOM 802 CG1 VAL A 51 -8.290 0.032 0.370 1.00 0.00 C ATOM 803 CG2 VAL A 51 -6.804 1.976 0.838 1.00 0.00 C ATOM 0 H VAL A 51 -6.992 3.441 -1.253 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.506 0.636 -1.535 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.756 2.074 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.683 0.094 1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.058 -0.367 -0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.421 -0.626 0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.197 2.024 1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.932 1.322 0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.516 2.976 0.513 1.00 0.00 H new ATOM 813 N ASP A 52 -9.373 1.653 -2.790 1.00 0.00 N ATOM 814 CA ASP A 52 -10.480 1.238 -3.706 1.00 0.00 C ATOM 815 C ASP A 52 -9.996 0.996 -5.137 1.00 0.00 C ATOM 816 O ASP A 52 -10.417 0.063 -5.792 1.00 0.00 O ATOM 817 CB ASP A 52 -11.544 2.340 -3.721 1.00 0.00 C ATOM 818 CG ASP A 52 -12.041 2.592 -2.296 1.00 0.00 C ATOM 819 OD1 ASP A 52 -11.237 2.491 -1.383 1.00 0.00 O ATOM 820 OD2 ASP A 52 -13.215 2.882 -2.141 1.00 0.00 O ATOM 0 H ASP A 52 -9.478 2.586 -2.391 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.886 0.298 -3.333 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.127 3.256 -4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.376 2.047 -4.361 1.00 0.00 H new ATOM 825 N THR A 53 -9.138 1.838 -5.641 1.00 0.00 N ATOM 826 CA THR A 53 -8.656 1.670 -7.042 1.00 0.00 C ATOM 827 C THR A 53 -7.433 0.760 -7.091 1.00 0.00 C ATOM 828 O THR A 53 -7.293 -0.027 -8.006 1.00 0.00 O ATOM 829 CB THR A 53 -8.296 3.042 -7.617 1.00 0.00 C ATOM 830 OG1 THR A 53 -9.397 3.925 -7.449 1.00 0.00 O ATOM 831 CG2 THR A 53 -7.970 2.907 -9.106 1.00 0.00 C ATOM 0 H THR A 53 -8.748 2.638 -5.142 1.00 0.00 H new ATOM 0 HA THR A 53 -9.449 1.212 -7.633 1.00 0.00 H new ATOM 0 HB THR A 53 -7.426 3.439 -7.094 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.308 4.400 -6.597 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.714 3.885 -9.513 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.126 2.229 -9.234 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.837 2.510 -9.634 1.00 0.00 H new ATOM 839 N TYR A 54 -6.533 0.867 -6.146 1.00 0.00 N ATOM 840 CA TYR A 54 -5.301 0.011 -6.185 1.00 0.00 C ATOM 841 C TYR A 54 -5.299 -1.046 -5.076 1.00 0.00 C ATOM 842 O TYR A 54 -4.267 -1.421 -4.561 1.00 0.00 O ATOM 843 CB TYR A 54 -4.072 0.896 -6.045 1.00 0.00 C ATOM 844 CG TYR A 54 -3.943 1.780 -7.263 1.00 0.00 C ATOM 845 CD1 TYR A 54 -4.607 3.006 -7.300 1.00 0.00 C ATOM 846 CD2 TYR A 54 -3.160 1.376 -8.351 1.00 0.00 C ATOM 847 CE1 TYR A 54 -4.494 3.836 -8.417 1.00 0.00 C ATOM 848 CE2 TYR A 54 -3.042 2.207 -9.473 1.00 0.00 C ATOM 849 CZ TYR A 54 -3.711 3.438 -9.506 1.00 0.00 C ATOM 850 OH TYR A 54 -3.596 4.257 -10.611 1.00 0.00 O ATOM 0 H TYR A 54 -6.594 1.505 -5.353 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.288 -0.514 -7.140 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.152 1.507 -5.146 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.179 0.281 -5.933 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.212 3.315 -6.460 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.648 0.426 -8.326 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.010 4.784 -8.440 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.436 1.899 -10.312 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.015 3.831 -11.275 1.00 0.00 H new ATOM 860 N GLY A 55 -6.458 -1.494 -4.674 1.00 0.00 N ATOM 861 CA GLY A 55 -6.541 -2.486 -3.565 1.00 0.00 C ATOM 862 C GLY A 55 -6.249 -3.903 -4.055 1.00 0.00 C ATOM 863 O GLY A 55 -5.381 -4.572 -3.533 1.00 0.00 O ATOM 0 H GLY A 55 -7.356 -1.213 -5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.832 -2.218 -2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.535 -2.452 -3.119 1.00 0.00 H new ATOM 867 N SER A 56 -6.971 -4.389 -5.030 1.00 0.00 N ATOM 868 CA SER A 56 -6.706 -5.778 -5.484 1.00 0.00 C ATOM 869 C SER A 56 -5.322 -5.854 -6.105 1.00 0.00 C ATOM 870 O SER A 56 -4.693 -6.893 -6.134 1.00 0.00 O ATOM 871 CB SER A 56 -7.743 -6.212 -6.518 1.00 0.00 C ATOM 872 OG SER A 56 -9.013 -5.673 -6.173 1.00 0.00 O ATOM 0 H SER A 56 -7.716 -3.894 -5.520 1.00 0.00 H new ATOM 0 HA SER A 56 -6.766 -6.442 -4.622 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.448 -5.869 -7.510 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.797 -7.300 -6.560 1.00 0.00 H new ATOM 0 HG SER A 56 -9.678 -5.950 -6.838 1.00 0.00 H new ATOM 878 N SER A 57 -4.874 -4.765 -6.673 1.00 0.00 N ATOM 879 CA SER A 57 -3.565 -4.795 -7.373 1.00 0.00 C ATOM 880 C SER A 57 -2.401 -4.794 -6.384 1.00 0.00 C ATOM 881 O SER A 57 -1.505 -5.605 -6.477 1.00 0.00 O ATOM 882 CB SER A 57 -3.448 -3.625 -8.348 1.00 0.00 C ATOM 883 OG SER A 57 -3.526 -2.403 -7.627 1.00 0.00 O ATOM 0 H SER A 57 -5.356 -3.866 -6.681 1.00 0.00 H new ATOM 0 HA SER A 57 -3.514 -5.724 -7.941 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.504 -3.681 -8.890 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.245 -3.674 -9.090 1.00 0.00 H new ATOM 0 HG SER A 57 -3.450 -1.650 -8.250 1.00 0.00 H new ATOM 889 N ILE A 58 -2.433 -3.927 -5.403 1.00 0.00 N ATOM 890 CA ILE A 58 -1.349 -3.918 -4.381 1.00 0.00 C ATOM 891 C ILE A 58 -1.297 -5.298 -3.739 1.00 0.00 C ATOM 892 O ILE A 58 -0.286 -5.972 -3.707 1.00 0.00 O ATOM 893 CB ILE A 58 -1.667 -2.877 -3.288 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.410 -1.463 -3.830 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.778 -3.128 -2.051 1.00 0.00 C ATOM 896 CD1 ILE A 58 -1.885 -0.414 -2.813 1.00 0.00 C ATOM 0 H ILE A 58 -3.163 -3.227 -5.268 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.398 -3.667 -4.851 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.714 -2.969 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.347 -1.330 -4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.934 -1.327 -4.776 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.007 -2.390 -1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.970 -4.128 -1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.271 -3.044 -2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.698 0.585 -3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.953 -0.539 -2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.341 -0.542 -1.877 1.00 0.00 H new ATOM 908 N LEU A 59 -2.420 -5.690 -3.217 1.00 0.00 N ATOM 909 CA LEU A 59 -2.548 -6.998 -2.539 1.00 0.00 C ATOM 910 C LEU A 59 -2.198 -8.114 -3.519 1.00 0.00 C ATOM 911 O LEU A 59 -1.813 -9.186 -3.109 1.00 0.00 O ATOM 912 CB LEU A 59 -3.997 -7.141 -2.049 1.00 0.00 C ATOM 913 CG LEU A 59 -4.250 -8.545 -1.480 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.213 -8.863 -0.393 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.670 -8.613 -0.875 1.00 0.00 C ATOM 0 H LEU A 59 -3.278 -5.139 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.867 -7.063 -1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.201 -6.392 -1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.684 -6.950 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.163 -9.276 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.398 -9.860 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.212 -8.824 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.291 -8.130 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.846 -9.610 -0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.761 -7.878 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.406 -8.399 -1.650 1.00 0.00 H new ATOM 927 N SER A 60 -2.338 -7.921 -4.805 1.00 0.00 N ATOM 928 CA SER A 60 -2.013 -9.054 -5.725 1.00 0.00 C ATOM 929 C SER A 60 -0.498 -9.125 -5.946 1.00 0.00 C ATOM 930 O SER A 60 0.075 -10.186 -6.096 1.00 0.00 O ATOM 931 CB SER A 60 -2.722 -8.848 -7.057 1.00 0.00 C ATOM 932 OG SER A 60 -2.142 -9.698 -8.038 1.00 0.00 O ATOM 0 H SER A 60 -2.653 -7.058 -5.248 1.00 0.00 H new ATOM 0 HA SER A 60 -2.351 -9.990 -5.279 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.785 -9.067 -6.953 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.640 -7.807 -7.368 1.00 0.00 H new ATOM 0 HG SER A 60 -2.599 -9.567 -8.895 1.00 0.00 H new ATOM 938 N ILE A 61 0.151 -7.987 -5.969 1.00 0.00 N ATOM 939 CA ILE A 61 1.629 -7.954 -6.181 1.00 0.00 C ATOM 940 C ILE A 61 2.343 -8.547 -4.963 1.00 0.00 C ATOM 941 O ILE A 61 3.239 -9.359 -5.085 1.00 0.00 O ATOM 942 CB ILE A 61 2.093 -6.495 -6.363 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.149 -5.738 -7.360 1.00 0.00 C ATOM 944 CG2 ILE A 61 3.551 -6.499 -6.843 1.00 0.00 C ATOM 945 CD1 ILE A 61 1.920 -5.122 -8.538 1.00 0.00 C ATOM 0 H ILE A 61 -0.285 -7.073 -5.849 1.00 0.00 H new ATOM 0 HA ILE A 61 1.870 -8.537 -7.070 1.00 0.00 H new ATOM 0 HB ILE A 61 2.039 -5.962 -5.414 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.398 -6.429 -7.742 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.616 -4.951 -6.826 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.893 -5.473 -6.976 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.177 -6.997 -6.102 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.620 -7.031 -7.792 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.223 -4.609 -9.200 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.653 -4.409 -8.160 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.432 -5.910 -9.090 1.00 0.00 H new ATOM 957 N LEU A 62 1.961 -8.124 -3.789 1.00 0.00 N ATOM 958 CA LEU A 62 2.617 -8.629 -2.550 1.00 0.00 C ATOM 959 C LEU A 62 2.679 -10.160 -2.576 1.00 0.00 C ATOM 960 O LEU A 62 3.601 -10.763 -2.063 1.00 0.00 O ATOM 961 CB LEU A 62 1.791 -8.168 -1.337 1.00 0.00 C ATOM 962 CG LEU A 62 2.185 -6.722 -0.928 1.00 0.00 C ATOM 963 CD1 LEU A 62 0.935 -5.931 -0.527 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.154 -6.760 0.260 1.00 0.00 C ATOM 0 H LEU A 62 1.216 -7.444 -3.634 1.00 0.00 H new ATOM 0 HA LEU A 62 3.632 -8.238 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.728 -8.208 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.954 -8.846 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 62 2.666 -6.239 -1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.221 -4.919 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.245 -5.889 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.449 -6.422 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.426 -5.742 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.674 -7.254 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.052 -7.311 -0.020 1.00 0.00 H new ATOM 976 N LEU A 63 1.692 -10.790 -3.149 1.00 0.00 N ATOM 977 CA LEU A 63 1.674 -12.276 -3.184 1.00 0.00 C ATOM 978 C LEU A 63 2.637 -12.803 -4.248 1.00 0.00 C ATOM 979 O LEU A 63 2.987 -13.967 -4.248 1.00 0.00 O ATOM 980 CB LEU A 63 0.249 -12.764 -3.459 1.00 0.00 C ATOM 981 CG LEU A 63 -0.704 -12.194 -2.400 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.121 -12.710 -2.665 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.251 -12.619 -0.991 1.00 0.00 C ATOM 0 H LEU A 63 0.895 -10.337 -3.596 1.00 0.00 H new ATOM 0 HA LEU A 63 2.002 -12.658 -2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.068 -12.451 -4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.217 -13.853 -3.443 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.693 -11.106 -2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.801 -12.307 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.445 -12.392 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.127 -13.799 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.936 -12.208 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.251 -13.707 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.755 -12.244 -0.804 1.00 0.00 H new ATOM 995 N GLU A 64 3.081 -11.970 -5.154 1.00 0.00 N ATOM 996 CA GLU A 64 4.027 -12.462 -6.198 1.00 0.00 C ATOM 997 C GLU A 64 5.449 -12.386 -5.636 1.00 0.00 C ATOM 998 O GLU A 64 6.417 -12.256 -6.358 1.00 0.00 O ATOM 999 CB GLU A 64 3.899 -11.620 -7.474 1.00 0.00 C ATOM 1000 CG GLU A 64 2.689 -12.088 -8.289 1.00 0.00 C ATOM 1001 CD GLU A 64 2.974 -13.469 -8.883 1.00 0.00 C ATOM 1002 OE1 GLU A 64 3.731 -13.537 -9.839 1.00 0.00 O ATOM 1003 OE2 GLU A 64 2.431 -14.436 -8.374 1.00 0.00 O ATOM 0 H GLU A 64 2.833 -10.983 -5.216 1.00 0.00 H new ATOM 0 HA GLU A 64 3.792 -13.494 -6.459 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.789 -10.567 -7.216 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.807 -11.708 -8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.804 -12.130 -7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.476 -11.375 -9.086 1.00 0.00 H new ATOM 1010 N GLU A 65 5.561 -12.517 -4.341 1.00 0.00 N ATOM 1011 CA GLU A 65 6.900 -12.515 -3.684 1.00 0.00 C ATOM 1012 C GLU A 65 7.755 -11.321 -4.120 1.00 0.00 C ATOM 1013 O GLU A 65 8.967 -11.399 -4.180 1.00 0.00 O ATOM 1014 CB GLU A 65 7.629 -13.790 -4.114 1.00 0.00 C ATOM 1015 CG GLU A 65 6.863 -15.013 -3.608 1.00 0.00 C ATOM 1016 CD GLU A 65 7.013 -15.119 -2.089 1.00 0.00 C ATOM 1017 OE1 GLU A 65 8.140 -15.099 -1.622 1.00 0.00 O ATOM 1018 OE2 GLU A 65 5.998 -15.219 -1.419 1.00 0.00 O ATOM 0 H GLU A 65 4.772 -12.627 -3.703 1.00 0.00 H new ATOM 0 HA GLU A 65 6.753 -12.456 -2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.713 -13.824 -5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.644 -13.793 -3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.809 -14.931 -3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.243 -15.916 -4.085 1.00 0.00 H new ATOM 1025 N VAL A 66 7.130 -10.206 -4.398 1.00 0.00 N ATOM 1026 CA VAL A 66 7.889 -8.979 -4.804 1.00 0.00 C ATOM 1027 C VAL A 66 8.178 -8.147 -3.538 1.00 0.00 C ATOM 1028 O VAL A 66 7.378 -8.106 -2.624 1.00 0.00 O ATOM 1029 CB VAL A 66 7.022 -8.177 -5.806 1.00 0.00 C ATOM 1030 CG1 VAL A 66 7.294 -6.671 -5.698 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.333 -8.634 -7.237 1.00 0.00 C ATOM 0 H VAL A 66 6.117 -10.090 -4.362 1.00 0.00 H new ATOM 0 HA VAL A 66 8.834 -9.236 -5.282 1.00 0.00 H new ATOM 0 HB VAL A 66 5.975 -8.362 -5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.670 -6.136 -6.414 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.061 -6.331 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.344 -6.475 -5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.722 -8.068 -7.940 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.388 -8.462 -7.453 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.111 -9.697 -7.336 1.00 0.00 H new ATOM 1041 N SER A 67 9.310 -7.488 -3.471 1.00 0.00 N ATOM 1042 CA SER A 67 9.619 -6.678 -2.253 1.00 0.00 C ATOM 1043 C SER A 67 8.476 -5.671 -2.006 1.00 0.00 C ATOM 1044 O SER A 67 7.856 -5.227 -2.952 1.00 0.00 O ATOM 1045 CB SER A 67 10.929 -5.911 -2.453 1.00 0.00 C ATOM 1046 OG SER A 67 10.649 -4.661 -3.063 1.00 0.00 O ATOM 0 H SER A 67 10.025 -7.476 -4.198 1.00 0.00 H new ATOM 0 HA SER A 67 9.719 -7.345 -1.397 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.425 -5.758 -1.494 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.611 -6.489 -3.077 1.00 0.00 H new ATOM 0 HG SER A 67 11.350 -4.018 -2.827 1.00 0.00 H new ATOM 1052 N PRO A 68 8.210 -5.333 -0.755 1.00 0.00 N ATOM 1053 CA PRO A 68 7.126 -4.380 -0.428 1.00 0.00 C ATOM 1054 C PRO A 68 7.384 -2.969 -0.999 1.00 0.00 C ATOM 1055 O PRO A 68 6.464 -2.287 -1.392 1.00 0.00 O ATOM 1056 CB PRO A 68 7.091 -4.330 1.119 1.00 0.00 C ATOM 1057 CG PRO A 68 8.283 -5.175 1.644 1.00 0.00 C ATOM 1058 CD PRO A 68 8.933 -5.865 0.428 1.00 0.00 C ATOM 0 HA PRO A 68 6.183 -4.705 -0.867 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.167 -3.301 1.470 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.147 -4.726 1.493 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.006 -4.541 2.157 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.939 -5.915 2.367 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.998 -5.641 0.372 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.838 -6.949 0.493 1.00 0.00 H new ATOM 1066 N GLU A 69 8.603 -2.500 -1.006 1.00 0.00 N ATOM 1067 CA GLU A 69 8.849 -1.109 -1.509 1.00 0.00 C ATOM 1068 C GLU A 69 8.862 -1.078 -3.046 1.00 0.00 C ATOM 1069 O GLU A 69 8.712 -0.029 -3.661 1.00 0.00 O ATOM 1070 CB GLU A 69 10.184 -0.573 -0.939 1.00 0.00 C ATOM 1071 CG GLU A 69 11.120 -1.733 -0.580 1.00 0.00 C ATOM 1072 CD GLU A 69 12.479 -1.174 -0.153 1.00 0.00 C ATOM 1073 OE1 GLU A 69 13.192 -0.683 -1.011 1.00 0.00 O ATOM 1074 OE2 GLU A 69 12.780 -1.245 1.027 1.00 0.00 O ATOM 0 H GLU A 69 9.430 -3.007 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 69 8.038 -0.465 -1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.664 0.076 -1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.991 0.033 -0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.689 -2.327 0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.240 -2.397 -1.436 1.00 0.00 H new ATOM 1081 N LEU A 70 8.993 -2.205 -3.687 1.00 0.00 N ATOM 1082 CA LEU A 70 8.974 -2.177 -5.173 1.00 0.00 C ATOM 1083 C LEU A 70 7.527 -1.908 -5.598 1.00 0.00 C ATOM 1084 O LEU A 70 7.248 -1.581 -6.735 1.00 0.00 O ATOM 1085 CB LEU A 70 9.494 -3.507 -5.749 1.00 0.00 C ATOM 1086 CG LEU A 70 11.032 -3.566 -5.665 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.510 -5.019 -5.795 1.00 0.00 C ATOM 1088 CD2 LEU A 70 11.683 -2.741 -6.786 1.00 0.00 C ATOM 0 H LEU A 70 9.110 -3.123 -3.258 1.00 0.00 H new ATOM 0 HA LEU A 70 9.630 -1.396 -5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.061 -4.343 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.176 -3.610 -6.787 1.00 0.00 H new ATOM 0 HG LEU A 70 11.324 -3.153 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.598 -5.051 -5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.084 -5.616 -4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.188 -5.424 -6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.768 -2.802 -6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.373 -3.134 -7.754 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.371 -1.700 -6.700 1.00 0.00 H new ATOM 1100 N VAL A 71 6.598 -2.072 -4.683 1.00 0.00 N ATOM 1101 CA VAL A 71 5.161 -1.855 -5.023 1.00 0.00 C ATOM 1102 C VAL A 71 4.920 -0.394 -5.394 1.00 0.00 C ATOM 1103 O VAL A 71 4.374 -0.108 -6.438 1.00 0.00 O ATOM 1104 CB VAL A 71 4.256 -2.261 -3.828 1.00 0.00 C ATOM 1105 CG1 VAL A 71 2.886 -1.536 -3.867 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.035 -3.778 -3.848 1.00 0.00 C ATOM 0 H VAL A 71 6.777 -2.347 -3.717 1.00 0.00 H new ATOM 0 HA VAL A 71 4.909 -2.480 -5.880 1.00 0.00 H new ATOM 0 HB VAL A 71 4.762 -1.965 -2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.284 -1.849 -3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.043 -0.458 -3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.366 -1.791 -4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.400 -4.064 -3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.552 -4.063 -4.783 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.995 -4.287 -3.766 1.00 0.00 H new ATOM 1116 N CYS A 72 5.272 0.542 -4.562 1.00 0.00 N ATOM 1117 CA CYS A 72 4.974 1.949 -4.930 1.00 0.00 C ATOM 1118 C CYS A 72 5.796 2.358 -6.160 1.00 0.00 C ATOM 1119 O CYS A 72 5.401 3.218 -6.924 1.00 0.00 O ATOM 1120 CB CYS A 72 5.285 2.878 -3.747 1.00 0.00 C ATOM 1121 SG CYS A 72 4.278 2.409 -2.321 1.00 0.00 S ATOM 0 H CYS A 72 5.740 0.401 -3.667 1.00 0.00 H new ATOM 0 HA CYS A 72 3.915 2.035 -5.174 1.00 0.00 H new ATOM 0 HB2 CYS A 72 6.343 2.817 -3.493 1.00 0.00 H new ATOM 0 HB3 CYS A 72 5.083 3.913 -4.022 1.00 0.00 H new ATOM 1126 N SER A 73 6.933 1.738 -6.366 1.00 0.00 N ATOM 1127 CA SER A 73 7.759 2.091 -7.562 1.00 0.00 C ATOM 1128 C SER A 73 7.173 1.459 -8.847 1.00 0.00 C ATOM 1129 O SER A 73 7.172 2.077 -9.894 1.00 0.00 O ATOM 1130 CB SER A 73 9.196 1.614 -7.361 1.00 0.00 C ATOM 1131 OG SER A 73 9.593 1.871 -6.020 1.00 0.00 O ATOM 0 H SER A 73 7.321 1.011 -5.765 1.00 0.00 H new ATOM 0 HA SER A 73 7.748 3.175 -7.676 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.271 0.548 -7.577 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.862 2.127 -8.054 1.00 0.00 H new ATOM 0 HG SER A 73 9.279 1.145 -5.441 1.00 0.00 H new ATOM 1137 N MET A 74 6.679 0.245 -8.791 1.00 0.00 N ATOM 1138 CA MET A 74 6.106 -0.395 -10.028 1.00 0.00 C ATOM 1139 C MET A 74 4.737 0.221 -10.385 1.00 0.00 C ATOM 1140 O MET A 74 4.440 0.431 -11.545 1.00 0.00 O ATOM 1141 CB MET A 74 5.933 -1.926 -9.793 1.00 0.00 C ATOM 1142 CG MET A 74 7.081 -2.733 -10.427 1.00 0.00 C ATOM 1143 SD MET A 74 6.567 -4.461 -10.641 1.00 0.00 S ATOM 1144 CE MET A 74 5.787 -4.709 -9.024 1.00 0.00 C ATOM 0 H MET A 74 6.646 -0.331 -7.950 1.00 0.00 H new ATOM 0 HA MET A 74 6.795 -0.219 -10.854 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.894 -2.128 -8.723 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.982 -2.254 -10.214 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.353 -2.302 -11.391 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.967 -2.683 -9.794 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.707 -5.776 -8.818 1.00 0.00 H new ATOM 0 HE2 MET A 74 6.392 -4.235 -8.251 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.792 -4.265 -9.028 1.00 0.00 H new ATOM 1154 N LEU A 75 3.894 0.491 -9.429 1.00 0.00 N ATOM 1155 CA LEU A 75 2.554 1.061 -9.773 1.00 0.00 C ATOM 1156 C LEU A 75 2.693 2.522 -10.225 1.00 0.00 C ATOM 1157 O LEU A 75 1.737 3.270 -10.224 1.00 0.00 O ATOM 1158 CB LEU A 75 1.622 0.976 -8.556 1.00 0.00 C ATOM 1159 CG LEU A 75 1.538 -0.470 -8.031 1.00 0.00 C ATOM 1160 CD1 LEU A 75 0.446 -0.566 -6.961 1.00 0.00 C ATOM 1161 CD2 LEU A 75 1.211 -1.442 -9.175 1.00 0.00 C ATOM 0 H LEU A 75 4.068 0.345 -8.434 1.00 0.00 H new ATOM 0 HA LEU A 75 2.128 0.482 -10.592 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.986 1.634 -7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.627 1.327 -8.829 1.00 0.00 H new ATOM 0 HG LEU A 75 2.503 -0.740 -7.602 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.388 -1.590 -6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.685 0.105 -6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.513 -0.282 -7.394 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.156 -2.458 -8.785 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.253 -1.172 -9.620 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.992 -1.387 -9.934 1.00 0.00 H new ATOM 1173 N HIS A 76 3.878 2.929 -10.599 1.00 0.00 N ATOM 1174 CA HIS A 76 4.100 4.341 -11.050 1.00 0.00 C ATOM 1175 C HIS A 76 3.433 5.315 -10.069 1.00 0.00 C ATOM 1176 O HIS A 76 3.176 6.452 -10.413 1.00 0.00 O ATOM 1177 CB HIS A 76 3.541 4.541 -12.468 1.00 0.00 C ATOM 1178 CG HIS A 76 2.037 4.539 -12.442 1.00 0.00 C ATOM 1179 ND1 HIS A 76 1.304 5.617 -11.972 1.00 0.00 N ATOM 1180 CD2 HIS A 76 1.116 3.595 -12.823 1.00 0.00 C ATOM 1181 CE1 HIS A 76 0.000 5.298 -12.080 1.00 0.00 C ATOM 1182 NE2 HIS A 76 -0.170 4.076 -12.593 1.00 0.00 N ATOM 0 H HIS A 76 4.711 2.340 -10.612 1.00 0.00 H new ATOM 0 HA HIS A 76 5.171 4.542 -11.070 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.903 5.483 -12.879 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.901 3.748 -13.123 1.00 0.00 H new ATOM 0 HD1 HIS A 76 1.683 6.492 -11.610 1.00 0.00 H new ATOM 0 HD2 HIS A 76 1.353 2.627 -13.238 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -0.810 5.950 -11.788 1.00 0.00 H new ATOM 1190 N LEU A 77 3.145 4.912 -8.867 1.00 0.00 N ATOM 1191 CA LEU A 77 2.497 5.864 -7.917 1.00 0.00 C ATOM 1192 C LEU A 77 3.564 6.754 -7.281 1.00 0.00 C ATOM 1193 O LEU A 77 3.245 7.733 -6.636 1.00 0.00 O ATOM 1194 CB LEU A 77 1.752 5.100 -6.804 1.00 0.00 C ATOM 1195 CG LEU A 77 0.449 4.433 -7.296 1.00 0.00 C ATOM 1196 CD1 LEU A 77 -0.377 4.018 -6.074 1.00 0.00 C ATOM 1197 CD2 LEU A 77 -0.404 5.384 -8.160 1.00 0.00 C ATOM 0 H LEU A 77 3.326 3.978 -8.500 1.00 0.00 H new ATOM 0 HA LEU A 77 1.781 6.472 -8.470 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.411 4.336 -6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.517 5.789 -5.993 1.00 0.00 H new ATOM 0 HG LEU A 77 0.723 3.575 -7.909 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.302 3.545 -6.404 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.195 3.314 -5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.613 4.900 -5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.309 4.869 -8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.675 6.263 -7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.168 5.693 -9.035 1.00 0.00 H new ATOM 1209 N CYS A 78 4.826 6.433 -7.454 1.00 0.00 N ATOM 1210 CA CYS A 78 5.908 7.280 -6.855 1.00 0.00 C ATOM 1211 C CYS A 78 6.944 7.642 -7.922 1.00 0.00 C ATOM 1212 O CYS A 78 6.978 7.131 -9.024 1.00 0.00 O ATOM 1213 CB CYS A 78 6.588 6.520 -5.714 1.00 0.00 C ATOM 1214 SG CYS A 78 5.511 6.522 -4.258 1.00 0.00 S ATOM 0 H CYS A 78 5.152 5.624 -7.982 1.00 0.00 H new ATOM 0 HA CYS A 78 5.465 8.196 -6.465 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.800 5.496 -6.021 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.544 6.985 -5.473 1.00 0.00 H new ATOM 1219 N SER A 79 7.785 8.559 -7.527 1.00 0.00 N ATOM 1220 CA SER A 79 8.896 9.107 -8.359 1.00 0.00 C ATOM 1221 C SER A 79 8.323 10.115 -9.360 1.00 0.00 C ATOM 1222 O SER A 79 8.712 10.145 -10.510 1.00 0.00 O ATOM 1223 CB SER A 79 9.674 7.994 -9.061 1.00 0.00 C ATOM 1224 OG SER A 79 9.895 6.928 -8.148 1.00 0.00 O ATOM 0 H SER A 79 7.741 8.977 -6.597 1.00 0.00 H new ATOM 0 HA SER A 79 9.608 9.618 -7.711 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.118 7.637 -9.928 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.626 8.376 -9.429 1.00 0.00 H new ATOM 0 HG SER A 79 10.392 6.212 -8.595 1.00 0.00 H new ATOM 1230 N GLY A 80 7.394 10.929 -8.939 1.00 0.00 N ATOM 1231 CA GLY A 80 6.796 11.920 -9.872 1.00 0.00 C ATOM 1232 C GLY A 80 7.839 12.959 -10.290 1.00 0.00 C ATOM 1233 O GLY A 80 7.593 14.147 -10.231 1.00 0.00 O ATOM 0 H GLY A 80 7.024 10.949 -7.989 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.408 11.410 -10.754 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.952 12.416 -9.393 1.00 0.00 H new ATOM 1237 N LEU A 81 8.990 12.531 -10.748 1.00 0.00 N ATOM 1238 CA LEU A 81 10.018 13.502 -11.206 1.00 0.00 C ATOM 1239 C LEU A 81 9.840 13.633 -12.707 1.00 0.00 C ATOM 1240 O LEU A 81 10.568 14.336 -13.376 1.00 0.00 O ATOM 1241 CB LEU A 81 11.420 12.967 -10.898 1.00 0.00 C ATOM 1242 CG LEU A 81 11.532 12.621 -9.407 1.00 0.00 C ATOM 1243 CD1 LEU A 81 12.827 11.844 -9.164 1.00 0.00 C ATOM 1244 CD2 LEU A 81 11.544 13.907 -8.568 1.00 0.00 C ATOM 0 H LEU A 81 9.257 11.549 -10.822 1.00 0.00 H new ATOM 0 HA LEU A 81 9.907 14.462 -10.703 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.622 12.082 -11.502 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.170 13.712 -11.165 1.00 0.00 H new ATOM 0 HG LEU A 81 10.676 12.013 -9.115 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.910 11.597 -8.106 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.816 10.926 -9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.679 12.455 -9.461 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.624 13.651 -7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.396 14.522 -8.858 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.621 14.461 -8.739 1.00 0.00 H new ATOM 1256 N VAL A 82 8.850 12.931 -13.217 1.00 0.00 N ATOM 1257 CA VAL A 82 8.536 12.940 -14.688 1.00 0.00 C ATOM 1258 C VAL A 82 8.943 14.288 -15.334 1.00 0.00 C ATOM 1259 O VAL A 82 8.172 15.225 -15.301 1.00 0.00 O ATOM 1260 CB VAL A 82 7.019 12.739 -14.858 1.00 0.00 C ATOM 1261 CG1 VAL A 82 6.676 11.248 -14.760 1.00 0.00 C ATOM 1262 CG2 VAL A 82 6.276 13.495 -13.753 1.00 0.00 C ATOM 0 H VAL A 82 8.232 12.339 -12.662 1.00 0.00 H new ATOM 0 HA VAL A 82 9.095 12.142 -15.178 1.00 0.00 H new ATOM 0 HB VAL A 82 6.718 13.119 -15.834 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.601 11.113 -14.881 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.201 10.702 -15.544 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.982 10.868 -13.785 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.202 13.353 -13.874 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.586 13.114 -12.780 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.511 14.557 -13.818 1.00 0.00 H new ATOM 1272 N PRO A 83 10.140 14.369 -15.899 1.00 0.00 N ATOM 1273 CA PRO A 83 10.600 15.623 -16.525 1.00 0.00 C ATOM 1274 C PRO A 83 9.785 15.898 -17.796 1.00 0.00 C ATOM 1275 O PRO A 83 9.936 16.927 -18.422 1.00 0.00 O ATOM 1276 CB PRO A 83 12.095 15.379 -16.853 1.00 0.00 C ATOM 1277 CG PRO A 83 12.414 13.898 -16.498 1.00 0.00 C ATOM 1278 CD PRO A 83 11.115 13.255 -15.966 1.00 0.00 C ATOM 0 HA PRO A 83 10.472 16.492 -15.879 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.293 15.572 -17.907 1.00 0.00 H new ATOM 0 HB3 PRO A 83 12.729 16.056 -16.280 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.774 13.363 -17.377 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.203 13.846 -15.747 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.766 12.463 -16.629 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.269 12.805 -14.985 1.00 0.00 H new ATOM 1286 N ARG A 84 8.925 14.976 -18.163 1.00 0.00 N ATOM 1287 CA ARG A 84 8.071 15.133 -19.390 1.00 0.00 C ATOM 1288 C ARG A 84 8.810 15.925 -20.475 1.00 0.00 C ATOM 1289 O ARG A 84 8.172 16.733 -21.130 1.00 0.00 O ATOM 1290 CB ARG A 84 6.761 15.849 -19.033 1.00 0.00 C ATOM 1291 CG ARG A 84 7.055 17.149 -18.273 1.00 0.00 C ATOM 1292 CD ARG A 84 5.762 17.952 -18.092 1.00 0.00 C ATOM 1293 NE ARG A 84 5.022 18.054 -19.395 1.00 0.00 N ATOM 1294 CZ ARG A 84 5.582 18.551 -20.467 1.00 0.00 C ATOM 1295 NH1 ARG A 84 6.738 19.150 -20.395 1.00 0.00 N ATOM 1296 NH2 ARG A 84 4.953 18.497 -21.610 1.00 0.00 N ATOM 1297 OXT ARG A 84 10.002 15.710 -20.631 1.00 0.00 O ATOM 0 H ARG A 84 8.775 14.104 -17.655 1.00 0.00 H new ATOM 0 HA ARG A 84 7.848 14.138 -19.776 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.200 16.070 -19.941 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.136 15.196 -18.423 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.491 16.921 -17.300 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.788 17.742 -18.820 1.00 0.00 H new ATOM 0 HD2 ARG A 84 5.130 17.472 -17.344 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.995 18.950 -17.720 1.00 0.00 H new ATOM 0 HE ARG A 84 4.057 17.727 -19.445 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.214 19.234 -19.497 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.167 19.534 -21.237 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.029 18.069 -21.664 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.386 18.883 -22.449 1.00 0.00 H new TER 1311 ARG A 84