USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 534 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 10 SER OG : rot -83:sc= 0.365 USER MOD Set 1.2: A 14 CYS SG : rot -96:sc= -0.91! USER MOD Set 1.3: A 63 TYR OH : rot -72:sc= 0.611 USER MOD Set 2.1: A 30 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.0956) USER MOD Set 2.2: A 43 LYS NZ :NH3+ -157:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0.132 K(o=0.13,f=-0.86) USER MOD Single : A 5 SER OG : rot 48:sc= 0.0475 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 165:sc= -6.34! (180deg=-6.81!) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.214 USER MOD Single : A 12 ASN : amide:sc= -1.21! K(o=-1.2!,f=-0.23) USER MOD Single : A 13 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.62) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.356 K(o=-0.36,f=-3.3!) USER MOD Single : A 36 LYS NZ :NH3+ 161:sc= -0.0238 (180deg=-0.253) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -2.16 X(o=-2.2,f=-1.8) USER MOD Single : A 50 GLN : amide:sc=-0.00914 X(o=-0.0091,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -160:sc= -1.28 USER MOD Single : A 56 GLN : amide:sc= 0.152 X(o=0.15,f=-0.0074) USER MOD Single : A 59 ASN : amide:sc= -0.34 K(o=-0.34,f=-1.1!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 -6.656 -4.564 -4.166 1.00 0.00 N ATOM 12 CA GLN A 2 -7.353 -3.660 -3.267 1.00 0.00 C ATOM 13 C GLN A 2 -6.753 -2.255 -3.357 1.00 0.00 C ATOM 14 O GLN A 2 -5.649 -2.079 -3.869 1.00 0.00 O ATOM 15 CB GLN A 2 -7.317 -4.180 -1.829 1.00 0.00 C ATOM 16 CG GLN A 2 -8.637 -3.895 -1.109 1.00 0.00 C ATOM 17 CD GLN A 2 -9.815 -4.525 -1.855 1.00 0.00 C ATOM 18 OE1 GLN A 2 -9.718 -5.597 -2.430 1.00 0.00 O ATOM 19 NE2 GLN A 2 -10.930 -3.801 -1.814 1.00 0.00 N ATOM 0 HA GLN A 2 -8.398 -3.609 -3.573 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.124 -5.253 -1.831 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.495 -3.710 -1.289 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.593 -4.287 -0.093 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -8.787 -2.818 -1.029 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.943 -2.912 -1.315 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.772 -4.135 -2.282 1.00 0.00 H new ATOM 28 N GLU A 3 -7.507 -1.290 -2.851 1.00 0.00 N ATOM 29 CA GLU A 3 -7.064 0.093 -2.867 1.00 0.00 C ATOM 30 C GLU A 3 -7.291 0.740 -1.499 1.00 0.00 C ATOM 31 O GLU A 3 -8.347 0.563 -0.893 1.00 0.00 O ATOM 32 CB GLU A 3 -7.771 0.882 -3.971 1.00 0.00 C ATOM 33 CG GLU A 3 -9.253 0.508 -4.049 1.00 0.00 C ATOM 34 CD GLU A 3 -9.545 -0.312 -5.308 1.00 0.00 C ATOM 35 OE1 GLU A 3 -9.398 0.264 -6.407 1.00 0.00 O ATOM 36 OE2 GLU A 3 -9.910 -1.496 -5.142 1.00 0.00 O ATOM 0 H GLU A 3 -8.423 -1.439 -2.427 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.995 0.109 -3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.671 1.951 -3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.291 0.683 -4.929 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.535 -0.064 -3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.861 1.413 -4.051 1.00 0.00 H new ATOM 43 N PHE A 4 -6.283 1.475 -1.053 1.00 0.00 N ATOM 44 CA PHE A 4 -6.360 2.149 0.232 1.00 0.00 C ATOM 45 C PHE A 4 -6.306 3.668 0.058 1.00 0.00 C ATOM 46 O PHE A 4 -5.452 4.185 -0.661 1.00 0.00 O ATOM 47 CB PHE A 4 -5.147 1.697 1.047 1.00 0.00 C ATOM 48 CG PHE A 4 -4.625 0.309 0.669 1.00 0.00 C ATOM 49 CD1 PHE A 4 -5.462 -0.762 0.696 1.00 0.00 C ATOM 50 CD2 PHE A 4 -3.325 0.147 0.306 1.00 0.00 C ATOM 51 CE1 PHE A 4 -4.978 -2.050 0.345 1.00 0.00 C ATOM 52 CE2 PHE A 4 -2.841 -1.141 -0.045 1.00 0.00 C ATOM 53 CZ PHE A 4 -3.678 -2.212 -0.018 1.00 0.00 C ATOM 0 H PHE A 4 -5.409 1.619 -1.558 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.298 1.900 0.727 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.344 2.423 0.918 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.412 1.699 2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.495 -0.633 0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.660 0.998 0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.643 -2.901 0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.808 -1.270 -0.333 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.310 -3.192 -0.285 1.00 0.00 H new ATOM 63 N SER A 5 -7.228 4.342 0.730 1.00 0.00 N ATOM 64 CA SER A 5 -7.296 5.791 0.659 1.00 0.00 C ATOM 65 C SER A 5 -6.345 6.411 1.684 1.00 0.00 C ATOM 66 O SER A 5 -6.405 6.084 2.869 1.00 0.00 O ATOM 67 CB SER A 5 -8.725 6.288 0.892 1.00 0.00 C ATOM 68 OG SER A 5 -8.751 7.615 1.411 1.00 0.00 O ATOM 0 H SER A 5 -7.934 3.911 1.326 1.00 0.00 H new ATOM 0 HA SER A 5 -6.992 6.098 -0.342 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.278 6.255 -0.047 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.233 5.618 1.585 1.00 0.00 H new ATOM 0 HG SER A 5 -8.150 8.184 0.885 1.00 0.00 H new ATOM 74 N VAL A 6 -5.489 7.294 1.192 1.00 0.00 N ATOM 75 CA VAL A 6 -4.526 7.962 2.051 1.00 0.00 C ATOM 76 C VAL A 6 -5.047 9.356 2.407 1.00 0.00 C ATOM 77 O VAL A 6 -5.475 10.105 1.530 1.00 0.00 O ATOM 78 CB VAL A 6 -3.153 7.991 1.375 1.00 0.00 C ATOM 79 CG1 VAL A 6 -3.107 9.052 0.274 1.00 0.00 C ATOM 80 CG2 VAL A 6 -2.042 8.216 2.402 1.00 0.00 C ATOM 0 H VAL A 6 -5.442 7.563 0.209 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.402 7.413 2.985 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.987 7.019 0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.121 9.052 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.863 8.828 -0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.305 10.033 0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.077 8.232 1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.202 9.168 2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.054 7.408 3.134 1.00 0.00 H new ATOM 90 N LYS A 7 -4.993 9.662 3.694 1.00 0.00 N ATOM 91 CA LYS A 7 -5.454 10.953 4.176 1.00 0.00 C ATOM 92 C LYS A 7 -4.477 11.478 5.230 1.00 0.00 C ATOM 93 O LYS A 7 -4.887 11.870 6.322 1.00 0.00 O ATOM 94 CB LYS A 7 -6.898 10.856 4.671 1.00 0.00 C ATOM 95 CG LYS A 7 -7.874 10.743 3.498 1.00 0.00 C ATOM 96 CD LYS A 7 -9.190 10.100 3.939 1.00 0.00 C ATOM 97 CE LYS A 7 -10.325 11.126 3.947 1.00 0.00 C ATOM 98 NZ LYS A 7 -11.352 10.754 4.946 1.00 0.00 N ATOM 0 H LYS A 7 -4.637 9.038 4.418 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.468 11.679 3.364 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.005 9.989 5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.141 11.735 5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.069 11.733 3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.424 10.150 2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.441 9.279 3.267 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.074 9.672 4.935 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.928 12.115 4.176 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.777 11.185 2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.115 11.460 4.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.743 9.819 4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.920 10.720 5.892 1.00 0.00 H new ATOM 112 N GLY A 8 -3.203 11.468 4.867 1.00 0.00 N ATOM 113 CA GLY A 8 -2.164 11.938 5.768 1.00 0.00 C ATOM 114 C GLY A 8 -0.847 12.155 5.020 1.00 0.00 C ATOM 115 O GLY A 8 0.228 12.086 5.615 1.00 0.00 O ATOM 0 H GLY A 8 -2.866 11.142 3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.478 12.871 6.236 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.017 11.213 6.569 1.00 0.00 H new ATOM 119 N MET A 9 -0.973 12.413 3.726 1.00 0.00 N ATOM 120 CA MET A 9 0.194 12.641 2.891 1.00 0.00 C ATOM 121 C MET A 9 0.775 14.036 3.130 1.00 0.00 C ATOM 122 O MET A 9 0.036 14.986 3.383 1.00 0.00 O ATOM 123 CB MET A 9 -0.196 12.495 1.419 1.00 0.00 C ATOM 124 CG MET A 9 0.664 11.435 0.727 1.00 0.00 C ATOM 125 SD MET A 9 1.004 11.927 -0.955 1.00 0.00 S ATOM 126 CE MET A 9 2.593 12.710 -0.734 1.00 0.00 C ATOM 0 H MET A 9 -1.866 12.469 3.236 1.00 0.00 H new ATOM 0 HA MET A 9 0.953 11.903 3.150 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.248 12.221 1.343 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.078 13.452 0.911 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.599 11.301 1.271 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.149 10.474 0.737 1.00 0.00 H new ATOM 0 HE1 MET A 9 3.074 12.838 -1.704 1.00 0.00 H new ATOM 0 HE2 MET A 9 2.456 13.685 -0.266 1.00 0.00 H new ATOM 0 HE3 MET A 9 3.221 12.086 -0.097 1.00 0.00 H new ATOM 136 N SER A 10 2.095 14.115 3.041 1.00 0.00 N ATOM 137 CA SER A 10 2.784 15.378 3.244 1.00 0.00 C ATOM 138 C SER A 10 3.281 15.924 1.904 1.00 0.00 C ATOM 139 O SER A 10 3.179 17.122 1.641 1.00 0.00 O ATOM 140 CB SER A 10 3.953 15.217 4.218 1.00 0.00 C ATOM 141 OG SER A 10 5.011 14.442 3.660 1.00 0.00 O ATOM 0 H SER A 10 2.705 13.325 2.831 1.00 0.00 H new ATOM 0 HA SER A 10 2.079 16.086 3.679 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.332 16.201 4.495 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.599 14.742 5.133 1.00 0.00 H new ATOM 0 HG SER A 10 4.816 13.489 3.778 1.00 0.00 H new ATOM 147 N CYS A 11 3.809 15.020 1.091 1.00 0.00 N ATOM 148 CA CYS A 11 4.322 15.396 -0.215 1.00 0.00 C ATOM 149 C CYS A 11 5.833 15.602 -0.096 1.00 0.00 C ATOM 150 O CYS A 11 6.341 16.684 -0.388 1.00 0.00 O ATOM 151 CB CYS A 11 3.618 16.640 -0.762 1.00 0.00 C ATOM 152 SG CYS A 11 3.765 16.690 -2.586 1.00 0.00 S ATOM 0 H CYS A 11 3.892 14.028 1.312 1.00 0.00 H new ATOM 0 HA CYS A 11 4.120 14.600 -0.931 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.567 16.630 -0.474 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.059 17.538 -0.328 1.00 0.00 H new ATOM 0 HG CYS A 11 3.163 17.748 -3.041 1.00 0.00 H new ATOM 158 N ASN A 12 6.510 14.546 0.332 1.00 0.00 N ATOM 159 CA ASN A 12 7.953 14.597 0.493 1.00 0.00 C ATOM 160 C ASN A 12 8.552 13.239 0.121 1.00 0.00 C ATOM 161 O ASN A 12 9.054 13.061 -0.988 1.00 0.00 O ATOM 162 CB ASN A 12 8.336 14.901 1.943 1.00 0.00 C ATOM 163 CG ASN A 12 8.688 16.380 2.119 1.00 0.00 C ATOM 164 OD1 ASN A 12 8.293 17.029 3.073 1.00 0.00 O ATOM 165 ND2 ASN A 12 9.451 16.873 1.147 1.00 0.00 N ATOM 0 H ASN A 12 6.086 13.650 0.572 1.00 0.00 H new ATOM 0 HA ASN A 12 8.336 15.386 -0.154 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.510 14.639 2.604 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.186 14.284 2.235 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.741 17.851 1.172 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.746 16.273 0.377 1.00 0.00 H new ATOM 172 N HIS A 13 8.479 12.316 1.068 1.00 0.00 N ATOM 173 CA HIS A 13 9.007 10.980 0.854 1.00 0.00 C ATOM 174 C HIS A 13 7.954 9.942 1.248 1.00 0.00 C ATOM 175 O HIS A 13 8.258 8.756 1.359 1.00 0.00 O ATOM 176 CB HIS A 13 10.331 10.793 1.598 1.00 0.00 C ATOM 177 CG HIS A 13 11.315 9.898 0.885 1.00 0.00 C ATOM 178 ND1 HIS A 13 11.458 9.888 -0.492 1.00 0.00 N ATOM 179 CD2 HIS A 13 12.205 8.986 1.371 1.00 0.00 C ATOM 180 CE1 HIS A 13 12.393 9.004 -0.809 1.00 0.00 C ATOM 181 NE2 HIS A 13 12.855 8.446 0.347 1.00 0.00 N ATOM 0 H HIS A 13 8.062 12.467 1.986 1.00 0.00 H new ATOM 0 HA HIS A 13 9.228 10.838 -0.204 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.790 11.769 1.753 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.126 10.377 2.584 1.00 0.00 H new ATOM 0 HD2 HIS A 13 12.356 8.744 2.413 1.00 0.00 H new ATOM 0 HE1 HIS A 13 12.730 8.767 -1.807 1.00 0.00 H new ATOM 0 HE2 HIS A 13 13.580 7.732 0.414 1.00 0.00 H new ATOM 189 N CYS A 14 6.737 10.428 1.447 1.00 0.00 N ATOM 190 CA CYS A 14 5.637 9.557 1.826 1.00 0.00 C ATOM 191 C CYS A 14 5.352 8.608 0.660 1.00 0.00 C ATOM 192 O CYS A 14 5.403 7.389 0.820 1.00 0.00 O ATOM 193 CB CYS A 14 4.396 10.356 2.227 1.00 0.00 C ATOM 194 SG CYS A 14 4.600 11.021 3.920 1.00 0.00 S ATOM 0 H CYS A 14 6.489 11.413 1.353 1.00 0.00 H new ATOM 0 HA CYS A 14 5.916 8.977 2.706 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.236 11.173 1.523 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.513 9.719 2.182 1.00 0.00 H new ATOM 0 HG CYS A 14 4.029 10.222 4.772 1.00 0.00 H new ATOM 200 N VAL A 15 5.059 9.202 -0.487 1.00 0.00 N ATOM 201 CA VAL A 15 4.766 8.425 -1.679 1.00 0.00 C ATOM 202 C VAL A 15 5.710 7.223 -1.744 1.00 0.00 C ATOM 203 O VAL A 15 5.268 6.093 -1.946 1.00 0.00 O ATOM 204 CB VAL A 15 4.848 9.318 -2.919 1.00 0.00 C ATOM 205 CG1 VAL A 15 5.134 8.489 -4.173 1.00 0.00 C ATOM 206 CG2 VAL A 15 3.572 10.144 -3.087 1.00 0.00 C ATOM 0 H VAL A 15 5.018 10.213 -0.616 1.00 0.00 H new ATOM 0 HA VAL A 15 3.748 8.037 -1.641 1.00 0.00 H new ATOM 0 HB VAL A 15 5.678 10.011 -2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.187 9.147 -5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.083 7.967 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.335 7.762 -4.318 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.658 10.769 -3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.718 9.476 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.430 10.776 -2.211 1.00 0.00 H new ATOM 216 N ALA A 16 6.992 7.508 -1.568 1.00 0.00 N ATOM 217 CA ALA A 16 8.002 6.464 -1.604 1.00 0.00 C ATOM 218 C ALA A 16 7.806 5.529 -0.408 1.00 0.00 C ATOM 219 O ALA A 16 7.498 4.351 -0.581 1.00 0.00 O ATOM 220 CB ALA A 16 9.393 7.100 -1.625 1.00 0.00 C ATOM 0 H ALA A 16 7.354 8.447 -1.400 1.00 0.00 H new ATOM 0 HA ALA A 16 7.903 5.866 -2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.151 6.317 -1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.491 7.731 -2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.529 7.706 -0.729 1.00 0.00 H new ATOM 226 N ARG A 17 7.992 6.090 0.777 1.00 0.00 N ATOM 227 CA ARG A 17 7.840 5.322 2.001 1.00 0.00 C ATOM 228 C ARG A 17 6.590 4.442 1.924 1.00 0.00 C ATOM 229 O ARG A 17 6.651 3.246 2.203 1.00 0.00 O ATOM 230 CB ARG A 17 7.732 6.242 3.219 1.00 0.00 C ATOM 231 CG ARG A 17 8.868 5.975 4.209 1.00 0.00 C ATOM 232 CD ARG A 17 8.726 4.592 4.848 1.00 0.00 C ATOM 233 NE ARG A 17 9.023 4.670 6.295 1.00 0.00 N ATOM 234 CZ ARG A 17 10.258 4.618 6.813 1.00 0.00 C ATOM 235 NH1 ARG A 17 11.318 4.488 6.005 1.00 0.00 N ATOM 236 NH2 ARG A 17 10.432 4.697 8.140 1.00 0.00 N ATOM 0 H ARG A 17 8.247 7.068 0.916 1.00 0.00 H new ATOM 0 HA ARG A 17 8.725 4.695 2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.762 7.283 2.897 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.772 6.088 3.711 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.827 6.045 3.695 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.866 6.740 4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.715 4.214 4.696 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.405 3.888 4.366 1.00 0.00 H new ATOM 0 HE ARG A 17 8.238 4.770 6.939 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.185 4.429 4.995 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.258 4.448 6.399 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.625 4.797 8.755 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.372 4.657 8.534 1.00 0.00 H new ATOM 250 N ILE A 18 5.487 5.069 1.542 1.00 0.00 N ATOM 251 CA ILE A 18 4.225 4.358 1.424 1.00 0.00 C ATOM 252 C ILE A 18 4.363 3.255 0.373 1.00 0.00 C ATOM 253 O ILE A 18 4.105 2.086 0.656 1.00 0.00 O ATOM 254 CB ILE A 18 3.083 5.337 1.143 1.00 0.00 C ATOM 255 CG1 ILE A 18 3.016 6.423 2.218 1.00 0.00 C ATOM 256 CG2 ILE A 18 1.752 4.597 0.992 1.00 0.00 C ATOM 257 CD1 ILE A 18 2.107 7.573 1.779 1.00 0.00 C ATOM 0 H ILE A 18 5.441 6.061 1.310 1.00 0.00 H new ATOM 0 HA ILE A 18 3.972 3.871 2.366 1.00 0.00 H new ATOM 0 HB ILE A 18 3.284 5.835 0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.644 5.996 3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.018 6.803 2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.957 5.315 0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.820 3.892 0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.530 4.056 1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.077 8.332 2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.495 8.014 0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.100 7.194 1.602 1.00 0.00 H new ATOM 269 N GLU A 19 4.769 3.666 -0.820 1.00 0.00 N ATOM 270 CA GLU A 19 4.944 2.727 -1.915 1.00 0.00 C ATOM 271 C GLU A 19 5.857 1.576 -1.488 1.00 0.00 C ATOM 272 O GLU A 19 5.515 0.409 -1.668 1.00 0.00 O ATOM 273 CB GLU A 19 5.494 3.431 -3.158 1.00 0.00 C ATOM 274 CG GLU A 19 6.229 2.444 -4.066 1.00 0.00 C ATOM 275 CD GLU A 19 7.655 2.198 -3.568 1.00 0.00 C ATOM 276 OE1 GLU A 19 8.354 3.205 -3.328 1.00 0.00 O ATOM 277 OE2 GLU A 19 8.013 1.007 -3.438 1.00 0.00 O ATOM 0 H GLU A 19 4.982 4.636 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 19 3.969 2.314 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.677 3.897 -3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.173 4.229 -2.858 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.684 1.501 -4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.257 2.833 -5.084 1.00 0.00 H new ATOM 284 N GLU A 20 7.000 1.946 -0.928 1.00 0.00 N ATOM 285 CA GLU A 20 7.964 0.959 -0.474 1.00 0.00 C ATOM 286 C GLU A 20 7.382 0.141 0.681 1.00 0.00 C ATOM 287 O GLU A 20 7.500 -1.083 0.700 1.00 0.00 O ATOM 288 CB GLU A 20 9.279 1.626 -0.065 1.00 0.00 C ATOM 289 CG GLU A 20 10.462 0.679 -0.275 1.00 0.00 C ATOM 290 CD GLU A 20 11.627 1.399 -0.958 1.00 0.00 C ATOM 291 OE1 GLU A 20 11.432 1.819 -2.119 1.00 0.00 O ATOM 292 OE2 GLU A 20 12.685 1.514 -0.303 1.00 0.00 O ATOM 0 H GLU A 20 7.279 2.916 -0.779 1.00 0.00 H new ATOM 0 HA GLU A 20 8.179 0.282 -1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.427 2.534 -0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.229 1.925 0.982 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.789 0.281 0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.149 -0.171 -0.882 1.00 0.00 H new ATOM 299 N ALA A 21 6.766 0.851 1.615 1.00 0.00 N ATOM 300 CA ALA A 21 6.166 0.206 2.770 1.00 0.00 C ATOM 301 C ALA A 21 5.256 -0.931 2.299 1.00 0.00 C ATOM 302 O ALA A 21 5.171 -1.972 2.948 1.00 0.00 O ATOM 303 CB ALA A 21 5.415 1.246 3.604 1.00 0.00 C ATOM 0 H ALA A 21 6.670 1.866 1.595 1.00 0.00 H new ATOM 0 HA ALA A 21 6.935 -0.230 3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.965 0.761 4.470 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.111 2.015 3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.633 1.703 2.997 1.00 0.00 H new ATOM 309 N VAL A 22 4.599 -0.692 1.173 1.00 0.00 N ATOM 310 CA VAL A 22 3.699 -1.682 0.608 1.00 0.00 C ATOM 311 C VAL A 22 4.518 -2.834 0.023 1.00 0.00 C ATOM 312 O VAL A 22 4.433 -3.965 0.500 1.00 0.00 O ATOM 313 CB VAL A 22 2.776 -1.024 -0.420 1.00 0.00 C ATOM 314 CG1 VAL A 22 2.088 -2.075 -1.292 1.00 0.00 C ATOM 315 CG2 VAL A 22 1.747 -0.122 0.266 1.00 0.00 C ATOM 0 H VAL A 22 4.672 0.173 0.637 1.00 0.00 H new ATOM 0 HA VAL A 22 3.056 -2.100 1.383 1.00 0.00 H new ATOM 0 HB VAL A 22 3.389 -0.400 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.438 -1.580 -2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.841 -2.658 -1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.493 -2.737 -0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.103 0.334 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.141 -0.716 0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.263 0.660 0.824 1.00 0.00 H new ATOM 325 N GLY A 23 5.292 -2.508 -1.001 1.00 0.00 N ATOM 326 CA GLY A 23 6.126 -3.502 -1.656 1.00 0.00 C ATOM 327 C GLY A 23 6.942 -4.293 -0.632 1.00 0.00 C ATOM 328 O GLY A 23 7.409 -5.394 -0.921 1.00 0.00 O ATOM 0 H GLY A 23 5.360 -1.569 -1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.501 -4.183 -2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.797 -3.011 -2.361 1.00 0.00 H new ATOM 332 N ARG A 24 7.090 -3.701 0.545 1.00 0.00 N ATOM 333 CA ARG A 24 7.842 -4.337 1.613 1.00 0.00 C ATOM 334 C ARG A 24 7.032 -5.483 2.223 1.00 0.00 C ATOM 335 O ARG A 24 7.598 -6.476 2.677 1.00 0.00 O ATOM 336 CB ARG A 24 8.197 -3.332 2.710 1.00 0.00 C ATOM 337 CG ARG A 24 8.548 -4.047 4.016 1.00 0.00 C ATOM 338 CD ARG A 24 9.638 -3.290 4.780 1.00 0.00 C ATOM 339 NE ARG A 24 10.871 -4.106 4.841 1.00 0.00 N ATOM 340 CZ ARG A 24 12.030 -3.677 5.360 1.00 0.00 C ATOM 341 NH1 ARG A 24 12.120 -2.439 5.866 1.00 0.00 N ATOM 342 NH2 ARG A 24 13.098 -4.486 5.373 1.00 0.00 N ATOM 0 H ARG A 24 6.702 -2.788 0.782 1.00 0.00 H new ATOM 0 HA ARG A 24 8.764 -4.728 1.182 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.040 -2.720 2.389 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.357 -2.657 2.875 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.657 -4.134 4.638 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.887 -5.060 3.800 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.845 -2.339 4.289 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.294 -3.060 5.788 1.00 0.00 H new ATOM 0 HE ARG A 24 10.837 -5.053 4.465 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.307 -1.824 5.856 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.002 -2.112 6.261 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.029 -5.428 4.988 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.980 -4.160 5.768 1.00 0.00 H new ATOM 356 N ILE A 25 5.718 -5.306 2.215 1.00 0.00 N ATOM 357 CA ILE A 25 4.825 -6.313 2.762 1.00 0.00 C ATOM 358 C ILE A 25 4.940 -7.595 1.935 1.00 0.00 C ATOM 359 O ILE A 25 4.698 -7.583 0.729 1.00 0.00 O ATOM 360 CB ILE A 25 3.398 -5.768 2.858 1.00 0.00 C ATOM 361 CG1 ILE A 25 3.322 -4.601 3.844 1.00 0.00 C ATOM 362 CG2 ILE A 25 2.409 -6.881 3.208 1.00 0.00 C ATOM 363 CD1 ILE A 25 2.484 -3.455 3.274 1.00 0.00 C ATOM 0 H ILE A 25 5.251 -4.481 1.839 1.00 0.00 H new ATOM 0 HA ILE A 25 5.115 -6.565 3.782 1.00 0.00 H new ATOM 0 HB ILE A 25 3.113 -5.381 1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.887 -4.942 4.784 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.327 -4.244 4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.403 -6.467 3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.438 -7.650 2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.680 -7.320 4.168 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.446 -2.638 3.995 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.935 -3.100 2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.473 -3.809 3.073 1.00 0.00 H new ATOM 375 N SER A 26 5.308 -8.670 2.616 1.00 0.00 N ATOM 376 CA SER A 26 5.458 -9.957 1.958 1.00 0.00 C ATOM 377 C SER A 26 4.109 -10.424 1.409 1.00 0.00 C ATOM 378 O SER A 26 3.306 -11.006 2.137 1.00 0.00 O ATOM 379 CB SER A 26 6.031 -11.002 2.918 1.00 0.00 C ATOM 380 OG SER A 26 6.364 -12.215 2.249 1.00 0.00 O ATOM 0 H SER A 26 5.507 -8.676 3.616 1.00 0.00 H new ATOM 0 HA SER A 26 6.158 -9.839 1.131 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.920 -10.600 3.403 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.305 -11.209 3.704 1.00 0.00 H new ATOM 0 HG SER A 26 6.728 -12.856 2.895 1.00 0.00 H new ATOM 386 N GLY A 27 3.900 -10.152 0.129 1.00 0.00 N ATOM 387 CA GLY A 27 2.662 -10.537 -0.526 1.00 0.00 C ATOM 388 C GLY A 27 2.298 -9.548 -1.636 1.00 0.00 C ATOM 389 O GLY A 27 1.544 -9.883 -2.548 1.00 0.00 O ATOM 0 H GLY A 27 4.568 -9.669 -0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.764 -11.538 -0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.856 -10.579 0.207 1.00 0.00 H new ATOM 393 N VAL A 28 2.852 -8.350 -1.522 1.00 0.00 N ATOM 394 CA VAL A 28 2.595 -7.311 -2.504 1.00 0.00 C ATOM 395 C VAL A 28 3.597 -7.443 -3.653 1.00 0.00 C ATOM 396 O VAL A 28 4.806 -7.368 -3.439 1.00 0.00 O ATOM 397 CB VAL A 28 2.633 -5.936 -1.833 1.00 0.00 C ATOM 398 CG1 VAL A 28 2.641 -4.817 -2.877 1.00 0.00 C ATOM 399 CG2 VAL A 28 1.465 -5.769 -0.860 1.00 0.00 C ATOM 0 H VAL A 28 3.478 -8.076 -0.765 1.00 0.00 H new ATOM 0 HA VAL A 28 1.597 -7.424 -2.928 1.00 0.00 H new ATOM 0 HB VAL A 28 3.558 -5.867 -1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.668 -3.850 -2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.520 -4.920 -3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.741 -4.883 -3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.515 -4.784 -0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.524 -5.868 -1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.522 -6.536 -0.088 1.00 0.00 H new ATOM 409 N LYS A 29 3.057 -7.636 -4.847 1.00 0.00 N ATOM 410 CA LYS A 29 3.888 -7.779 -6.031 1.00 0.00 C ATOM 411 C LYS A 29 4.242 -6.392 -6.570 1.00 0.00 C ATOM 412 O LYS A 29 5.413 -6.091 -6.798 1.00 0.00 O ATOM 413 CB LYS A 29 3.205 -8.684 -7.059 1.00 0.00 C ATOM 414 CG LYS A 29 4.138 -9.814 -7.499 1.00 0.00 C ATOM 415 CD LYS A 29 3.948 -10.135 -8.983 1.00 0.00 C ATOM 416 CE LYS A 29 5.231 -9.866 -9.771 1.00 0.00 C ATOM 417 NZ LYS A 29 5.484 -10.957 -10.738 1.00 0.00 N ATOM 0 H LYS A 29 2.054 -7.697 -5.021 1.00 0.00 H new ATOM 0 HA LYS A 29 4.827 -8.273 -5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.295 -9.105 -6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.907 -8.095 -7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.174 -9.528 -7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.942 -10.705 -6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.658 -11.179 -9.099 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.135 -9.532 -9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.148 -8.916 -10.299 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.074 -9.777 -9.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.359 -10.758 -11.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.584 -11.857 -10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.687 -11.023 -11.403 1.00 0.00 H new ATOM 431 N LYS A 30 3.209 -5.585 -6.760 1.00 0.00 N ATOM 432 CA LYS A 30 3.396 -4.236 -7.269 1.00 0.00 C ATOM 433 C LYS A 30 2.494 -3.274 -6.494 1.00 0.00 C ATOM 434 O LYS A 30 1.452 -3.674 -5.977 1.00 0.00 O ATOM 435 CB LYS A 30 3.179 -4.200 -8.783 1.00 0.00 C ATOM 436 CG LYS A 30 3.903 -5.360 -9.469 1.00 0.00 C ATOM 437 CD LYS A 30 4.503 -4.918 -10.805 1.00 0.00 C ATOM 438 CE LYS A 30 3.635 -5.384 -11.976 1.00 0.00 C ATOM 439 NZ LYS A 30 2.479 -4.478 -12.157 1.00 0.00 N ATOM 0 H LYS A 30 2.239 -5.839 -6.571 1.00 0.00 H new ATOM 0 HA LYS A 30 4.423 -3.907 -7.110 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.113 -4.252 -9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.541 -3.253 -9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.692 -5.736 -8.818 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.206 -6.182 -9.633 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.595 -3.832 -10.825 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.509 -5.325 -10.909 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.230 -5.411 -12.889 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.284 -6.400 -11.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.597 -5.005 -11.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.542 -3.694 -11.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.484 -4.098 -13.125 1.00 0.00 H new ATOM 453 N VAL A 31 2.927 -2.023 -6.439 1.00 0.00 N ATOM 454 CA VAL A 31 2.171 -0.999 -5.737 1.00 0.00 C ATOM 455 C VAL A 31 2.540 0.376 -6.297 1.00 0.00 C ATOM 456 O VAL A 31 3.626 0.556 -6.845 1.00 0.00 O ATOM 457 CB VAL A 31 2.410 -1.114 -4.230 1.00 0.00 C ATOM 458 CG1 VAL A 31 3.907 -1.157 -3.914 1.00 0.00 C ATOM 459 CG2 VAL A 31 1.723 0.027 -3.477 1.00 0.00 C ATOM 0 H VAL A 31 3.792 -1.695 -6.869 1.00 0.00 H new ATOM 0 HA VAL A 31 1.102 -1.138 -5.895 1.00 0.00 H new ATOM 0 HB VAL A 31 1.969 -2.052 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.049 -1.239 -2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.358 -2.019 -4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.381 -0.244 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.909 -0.079 -2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.120 0.982 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.650 -0.008 -3.664 1.00 0.00 H new ATOM 469 N LYS A 32 1.614 1.310 -6.140 1.00 0.00 N ATOM 470 CA LYS A 32 1.828 2.664 -6.624 1.00 0.00 C ATOM 471 C LYS A 32 0.968 3.633 -5.810 1.00 0.00 C ATOM 472 O LYS A 32 0.042 3.215 -5.117 1.00 0.00 O ATOM 473 CB LYS A 32 1.580 2.739 -8.132 1.00 0.00 C ATOM 474 CG LYS A 32 2.331 3.919 -8.753 1.00 0.00 C ATOM 475 CD LYS A 32 2.867 3.559 -10.140 1.00 0.00 C ATOM 476 CE LYS A 32 2.163 4.373 -11.228 1.00 0.00 C ATOM 477 NZ LYS A 32 2.899 5.629 -11.494 1.00 0.00 N ATOM 0 H LYS A 32 0.714 1.157 -5.685 1.00 0.00 H new ATOM 0 HA LYS A 32 2.867 2.961 -6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.901 1.810 -8.604 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.512 2.841 -8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.666 4.779 -8.828 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.157 4.211 -8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.940 3.745 -10.179 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.721 2.495 -10.325 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.094 3.785 -12.143 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.143 4.601 -10.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.408 6.169 -12.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.943 6.196 -10.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.864 5.405 -11.811 1.00 0.00 H new ATOM 491 N VAL A 33 1.305 4.910 -5.922 1.00 0.00 N ATOM 492 CA VAL A 33 0.576 5.942 -5.205 1.00 0.00 C ATOM 493 C VAL A 33 0.291 7.110 -6.152 1.00 0.00 C ATOM 494 O VAL A 33 1.098 7.414 -7.029 1.00 0.00 O ATOM 495 CB VAL A 33 1.354 6.361 -3.956 1.00 0.00 C ATOM 496 CG1 VAL A 33 2.528 7.272 -4.322 1.00 0.00 C ATOM 497 CG2 VAL A 33 0.433 7.035 -2.937 1.00 0.00 C ATOM 0 H VAL A 33 2.073 5.253 -6.499 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.385 5.561 -4.860 1.00 0.00 H new ATOM 0 HB VAL A 33 1.760 5.460 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.065 7.556 -3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.204 6.742 -4.994 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.153 8.168 -4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.011 7.323 -2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.016 7.923 -3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.353 6.340 -2.642 1.00 0.00 H new ATOM 507 N GLN A 34 -0.860 7.733 -5.942 1.00 0.00 N ATOM 508 CA GLN A 34 -1.261 8.860 -6.766 1.00 0.00 C ATOM 509 C GLN A 34 -1.550 10.081 -5.890 1.00 0.00 C ATOM 510 O GLN A 34 -2.573 10.134 -5.210 1.00 0.00 O ATOM 511 CB GLN A 34 -2.474 8.505 -7.628 1.00 0.00 C ATOM 512 CG GLN A 34 -2.052 7.717 -8.870 1.00 0.00 C ATOM 513 CD GLN A 34 -2.893 6.448 -9.026 1.00 0.00 C ATOM 514 OE1 GLN A 34 -3.811 6.184 -8.267 1.00 0.00 O ATOM 515 NE2 GLN A 34 -2.528 5.680 -10.049 1.00 0.00 N ATOM 0 H GLN A 34 -1.527 7.478 -5.213 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.438 9.105 -7.438 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.181 7.917 -7.043 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.990 9.417 -7.929 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.162 8.342 -9.756 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.997 7.452 -8.796 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.750 5.961 -10.645 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.026 4.810 -10.237 1.00 0.00 H new ATOM 524 N LEU A 35 -0.629 11.033 -5.936 1.00 0.00 N ATOM 525 CA LEU A 35 -0.772 12.250 -5.155 1.00 0.00 C ATOM 526 C LEU A 35 -2.021 13.003 -5.616 1.00 0.00 C ATOM 527 O LEU A 35 -2.514 12.777 -6.720 1.00 0.00 O ATOM 528 CB LEU A 35 0.509 13.084 -5.224 1.00 0.00 C ATOM 529 CG LEU A 35 0.489 14.410 -4.460 1.00 0.00 C ATOM 530 CD1 LEU A 35 0.515 14.172 -2.949 1.00 0.00 C ATOM 531 CD2 LEU A 35 1.627 15.323 -4.917 1.00 0.00 C ATOM 0 H LEU A 35 0.218 10.986 -6.502 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.914 12.012 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.333 12.480 -4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.726 13.294 -6.271 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.445 14.923 -4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.500 15.130 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.358 13.588 -2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.421 13.628 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.590 16.258 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.583 14.831 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.521 15.532 -5.982 1.00 0.00 H new ATOM 543 N LYS A 36 -2.497 13.883 -4.747 1.00 0.00 N ATOM 544 CA LYS A 36 -3.679 14.671 -5.051 1.00 0.00 C ATOM 545 C LYS A 36 -4.851 13.732 -5.346 1.00 0.00 C ATOM 546 O LYS A 36 -5.859 14.150 -5.914 1.00 0.00 O ATOM 547 CB LYS A 36 -3.387 15.662 -6.179 1.00 0.00 C ATOM 548 CG LYS A 36 -4.054 17.013 -5.909 1.00 0.00 C ATOM 549 CD LYS A 36 -3.043 18.156 -6.023 1.00 0.00 C ATOM 550 CE LYS A 36 -3.617 19.454 -5.453 1.00 0.00 C ATOM 551 NZ LYS A 36 -3.710 19.376 -3.978 1.00 0.00 N ATOM 0 H LYS A 36 -2.085 14.067 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.964 15.277 -4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.310 15.798 -6.279 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.746 15.258 -7.125 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.867 17.170 -6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.496 17.012 -4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.130 17.893 -5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.771 18.303 -7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.985 20.295 -5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.604 19.639 -5.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.787 20.335 -3.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.550 18.824 -3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.858 18.914 -3.600 1.00 0.00 H new ATOM 565 N LYS A 37 -4.679 12.480 -4.947 1.00 0.00 N ATOM 566 CA LYS A 37 -5.709 11.478 -5.162 1.00 0.00 C ATOM 567 C LYS A 37 -6.167 10.926 -3.810 1.00 0.00 C ATOM 568 O LYS A 37 -7.342 10.607 -3.632 1.00 0.00 O ATOM 569 CB LYS A 37 -5.216 10.401 -6.130 1.00 0.00 C ATOM 570 CG LYS A 37 -6.200 10.211 -7.286 1.00 0.00 C ATOM 571 CD LYS A 37 -5.838 8.979 -8.118 1.00 0.00 C ATOM 572 CE LYS A 37 -6.990 7.974 -8.140 1.00 0.00 C ATOM 573 NZ LYS A 37 -8.056 8.427 -9.061 1.00 0.00 N ATOM 0 H LYS A 37 -3.842 12.137 -4.476 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.582 11.925 -5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.238 10.680 -6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.089 9.459 -5.597 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.211 10.105 -6.894 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.196 11.097 -7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.596 9.282 -9.137 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.946 8.507 -7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.622 6.997 -8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.396 7.855 -7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.830 7.733 -9.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.419 9.349 -8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.669 8.518 -10.022 1.00 0.00 H new ATOM 587 N GLU A 38 -5.216 10.831 -2.893 1.00 0.00 N ATOM 588 CA GLU A 38 -5.507 10.323 -1.563 1.00 0.00 C ATOM 589 C GLU A 38 -5.860 8.836 -1.628 1.00 0.00 C ATOM 590 O GLU A 38 -6.685 8.355 -0.852 1.00 0.00 O ATOM 591 CB GLU A 38 -6.632 11.125 -0.904 1.00 0.00 C ATOM 592 CG GLU A 38 -6.167 12.542 -0.562 1.00 0.00 C ATOM 593 CD GLU A 38 -7.219 13.278 0.271 1.00 0.00 C ATOM 594 OE1 GLU A 38 -8.386 13.294 -0.176 1.00 0.00 O ATOM 595 OE2 GLU A 38 -6.832 13.807 1.335 1.00 0.00 O ATOM 0 H GLU A 38 -4.243 11.097 -3.045 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.614 10.438 -0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.491 11.172 -1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.962 10.618 0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.228 12.497 -0.011 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.972 13.096 -1.480 1.00 0.00 H new ATOM 602 N LYS A 39 -5.217 8.148 -2.561 1.00 0.00 N ATOM 603 CA LYS A 39 -5.453 6.725 -2.737 1.00 0.00 C ATOM 604 C LYS A 39 -4.187 6.068 -3.292 1.00 0.00 C ATOM 605 O LYS A 39 -3.474 6.668 -4.095 1.00 0.00 O ATOM 606 CB LYS A 39 -6.696 6.490 -3.597 1.00 0.00 C ATOM 607 CG LYS A 39 -7.414 7.808 -3.894 1.00 0.00 C ATOM 608 CD LYS A 39 -8.658 7.573 -4.753 1.00 0.00 C ATOM 609 CE LYS A 39 -9.773 6.918 -3.936 1.00 0.00 C ATOM 610 NZ LYS A 39 -11.098 7.258 -4.501 1.00 0.00 N ATOM 0 H LYS A 39 -4.533 8.550 -3.202 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.664 6.252 -1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.410 6.009 -4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.375 5.810 -3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.699 8.290 -2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.735 8.488 -4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.009 8.522 -5.158 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.404 6.938 -5.602 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.640 5.836 -3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.717 7.251 -2.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.843 6.805 -3.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.228 8.290 -4.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.155 6.918 -5.482 1.00 0.00 H new ATOM 624 N ALA A 40 -3.948 4.845 -2.843 1.00 0.00 N ATOM 625 CA ALA A 40 -2.781 4.100 -3.285 1.00 0.00 C ATOM 626 C ALA A 40 -3.230 2.765 -3.882 1.00 0.00 C ATOM 627 O ALA A 40 -4.103 2.097 -3.331 1.00 0.00 O ATOM 628 CB ALA A 40 -1.816 3.920 -2.112 1.00 0.00 C ATOM 0 H ALA A 40 -4.543 4.351 -2.178 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.249 4.646 -4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.941 3.361 -2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.505 4.898 -1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.314 3.373 -1.312 1.00 0.00 H new ATOM 634 N VAL A 41 -2.613 2.416 -5.002 1.00 0.00 N ATOM 635 CA VAL A 41 -2.938 1.173 -5.679 1.00 0.00 C ATOM 636 C VAL A 41 -1.956 0.085 -5.239 1.00 0.00 C ATOM 637 O VAL A 41 -0.749 0.318 -5.189 1.00 0.00 O ATOM 638 CB VAL A 41 -2.950 1.390 -7.194 1.00 0.00 C ATOM 639 CG1 VAL A 41 -1.637 2.015 -7.669 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.234 0.081 -7.933 1.00 0.00 C ATOM 0 H VAL A 41 -1.890 2.973 -5.457 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.938 0.839 -5.404 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.755 2.087 -7.426 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.672 2.158 -8.749 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.495 2.978 -7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.808 1.354 -7.418 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.237 0.263 -9.008 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.461 -0.649 -7.691 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.206 -0.306 -7.628 1.00 0.00 H new ATOM 650 N VAL A 42 -2.509 -1.078 -4.931 1.00 0.00 N ATOM 651 CA VAL A 42 -1.697 -2.202 -4.497 1.00 0.00 C ATOM 652 C VAL A 42 -1.970 -3.403 -5.404 1.00 0.00 C ATOM 653 O VAL A 42 -3.080 -3.565 -5.910 1.00 0.00 O ATOM 654 CB VAL A 42 -1.959 -2.497 -3.019 1.00 0.00 C ATOM 655 CG1 VAL A 42 -3.386 -3.008 -2.807 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.934 -3.489 -2.468 1.00 0.00 C ATOM 0 H VAL A 42 -3.510 -1.267 -4.973 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.637 -1.963 -4.584 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.852 -1.563 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.546 -3.210 -1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.097 -2.253 -3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.533 -3.925 -3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.143 -3.681 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.995 -4.423 -3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.068 -3.071 -2.568 1.00 0.00 H new ATOM 666 N LYS A 43 -0.939 -4.216 -5.583 1.00 0.00 N ATOM 667 CA LYS A 43 -1.054 -5.398 -6.421 1.00 0.00 C ATOM 668 C LYS A 43 -0.544 -6.616 -5.648 1.00 0.00 C ATOM 669 O LYS A 43 0.537 -7.130 -5.935 1.00 0.00 O ATOM 670 CB LYS A 43 -0.345 -5.177 -7.759 1.00 0.00 C ATOM 671 CG LYS A 43 -0.899 -6.115 -8.833 1.00 0.00 C ATOM 672 CD LYS A 43 -0.282 -5.809 -10.199 1.00 0.00 C ATOM 673 CE LYS A 43 -0.650 -6.886 -11.221 1.00 0.00 C ATOM 674 NZ LYS A 43 -0.461 -6.380 -12.599 1.00 0.00 N ATOM 0 H LYS A 43 -0.020 -4.080 -5.162 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.098 -5.591 -6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.471 -4.141 -8.075 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.725 -5.346 -7.640 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.691 -7.150 -8.560 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.983 -6.011 -8.888 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.629 -4.837 -10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.802 -5.746 -10.106 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.032 -7.770 -11.064 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.687 -7.192 -11.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.053 -6.929 -13.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.735 -5.378 -12.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.538 -6.478 -12.871 1.00 0.00 H new ATOM 688 N PHE A 44 -1.345 -7.043 -4.684 1.00 0.00 N ATOM 689 CA PHE A 44 -0.989 -8.192 -3.868 1.00 0.00 C ATOM 690 C PHE A 44 -2.056 -9.284 -3.962 1.00 0.00 C ATOM 691 O PHE A 44 -2.884 -9.271 -4.872 1.00 0.00 O ATOM 692 CB PHE A 44 -0.902 -7.703 -2.421 1.00 0.00 C ATOM 693 CG PHE A 44 -2.262 -7.466 -1.762 1.00 0.00 C ATOM 694 CD1 PHE A 44 -2.971 -6.342 -2.050 1.00 0.00 C ATOM 695 CD2 PHE A 44 -2.762 -8.380 -0.887 1.00 0.00 C ATOM 696 CE1 PHE A 44 -4.233 -6.121 -1.438 1.00 0.00 C ATOM 697 CE2 PHE A 44 -4.025 -8.159 -0.275 1.00 0.00 C ATOM 698 CZ PHE A 44 -4.733 -7.035 -0.564 1.00 0.00 C ATOM 0 H PHE A 44 -2.240 -6.614 -4.449 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.045 -8.614 -4.212 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.348 -8.435 -1.834 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.331 -6.775 -2.395 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.574 -5.617 -2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.199 -9.273 -0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.795 -5.228 -1.666 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.423 -8.884 0.420 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.693 -6.868 -0.099 1.00 0.00 H new ATOM 708 N ASP A 45 -2.002 -10.203 -3.009 1.00 0.00 N ATOM 709 CA ASP A 45 -2.954 -11.300 -2.973 1.00 0.00 C ATOM 710 C ASP A 45 -3.303 -11.619 -1.518 1.00 0.00 C ATOM 711 O ASP A 45 -2.452 -11.517 -0.635 1.00 0.00 O ATOM 712 CB ASP A 45 -2.365 -12.562 -3.606 1.00 0.00 C ATOM 713 CG ASP A 45 -3.393 -13.541 -4.174 1.00 0.00 C ATOM 714 OD1 ASP A 45 -4.576 -13.408 -3.791 1.00 0.00 O ATOM 715 OD2 ASP A 45 -2.974 -14.402 -4.978 1.00 0.00 O ATOM 0 H ASP A 45 -1.314 -10.210 -2.256 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.839 -10.996 -3.532 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.687 -12.266 -4.406 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.767 -13.081 -2.857 1.00 0.00 H new ATOM 720 N GLU A 46 -4.555 -11.999 -1.312 1.00 0.00 N ATOM 721 CA GLU A 46 -5.027 -12.334 0.021 1.00 0.00 C ATOM 722 C GLU A 46 -4.498 -13.707 0.441 1.00 0.00 C ATOM 723 O GLU A 46 -4.694 -14.129 1.580 1.00 0.00 O ATOM 724 CB GLU A 46 -6.555 -12.290 0.089 1.00 0.00 C ATOM 725 CG GLU A 46 -7.027 -11.630 1.386 1.00 0.00 C ATOM 726 CD GLU A 46 -7.711 -10.291 1.104 1.00 0.00 C ATOM 727 OE1 GLU A 46 -8.471 -10.241 0.113 1.00 0.00 O ATOM 728 OE2 GLU A 46 -7.457 -9.348 1.884 1.00 0.00 O ATOM 0 H GLU A 46 -5.258 -12.082 -2.046 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.644 -11.590 0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.945 -11.739 -0.767 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.955 -13.302 0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.719 -12.294 1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.176 -11.475 2.050 1.00 0.00 H new ATOM 735 N ALA A 47 -3.839 -14.365 -0.500 1.00 0.00 N ATOM 736 CA ALA A 47 -3.281 -15.682 -0.241 1.00 0.00 C ATOM 737 C ALA A 47 -1.937 -15.530 0.475 1.00 0.00 C ATOM 738 O ALA A 47 -1.449 -16.474 1.093 1.00 0.00 O ATOM 739 CB ALA A 47 -3.156 -16.451 -1.558 1.00 0.00 C ATOM 0 H ALA A 47 -3.678 -14.012 -1.443 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.939 -16.256 0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.738 -17.439 -1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.141 -16.557 -2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.500 -15.906 -2.237 1.00 0.00 H new ATOM 745 N ASN A 48 -1.378 -14.333 0.368 1.00 0.00 N ATOM 746 CA ASN A 48 -0.101 -14.045 0.998 1.00 0.00 C ATOM 747 C ASN A 48 -0.317 -13.070 2.156 1.00 0.00 C ATOM 748 O ASN A 48 0.103 -13.335 3.282 1.00 0.00 O ATOM 749 CB ASN A 48 0.868 -13.396 0.007 1.00 0.00 C ATOM 750 CG ASN A 48 0.390 -13.588 -1.433 1.00 0.00 C ATOM 751 OD1 ASN A 48 0.076 -14.683 -1.869 1.00 0.00 O ATOM 752 ND2 ASN A 48 0.352 -12.465 -2.145 1.00 0.00 N ATOM 0 H ASN A 48 -1.786 -13.552 -0.145 1.00 0.00 H new ATOM 0 HA ASN A 48 0.321 -14.986 1.351 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.958 -12.332 0.225 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.860 -13.831 0.126 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.046 -12.488 -3.118 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.629 -11.581 -1.718 1.00 0.00 H new ATOM 759 N VAL A 49 -0.971 -11.962 1.841 1.00 0.00 N ATOM 760 CA VAL A 49 -1.248 -10.946 2.842 1.00 0.00 C ATOM 761 C VAL A 49 -2.584 -10.272 2.523 1.00 0.00 C ATOM 762 O VAL A 49 -3.022 -10.266 1.374 1.00 0.00 O ATOM 763 CB VAL A 49 -0.083 -9.956 2.920 1.00 0.00 C ATOM 764 CG1 VAL A 49 -0.497 -8.679 3.654 1.00 0.00 C ATOM 765 CG2 VAL A 49 1.138 -10.598 3.580 1.00 0.00 C ATOM 0 H VAL A 49 -1.317 -11.745 0.906 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.340 -11.399 3.829 1.00 0.00 H new ATOM 0 HB VAL A 49 0.193 -9.682 1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.349 -7.993 3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.323 -8.206 3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.812 -8.928 4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.951 -9.874 3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.881 -10.915 4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.453 -11.464 2.997 1.00 0.00 H new ATOM 775 N GLN A 50 -3.196 -9.722 3.562 1.00 0.00 N ATOM 776 CA GLN A 50 -4.473 -9.047 3.406 1.00 0.00 C ATOM 777 C GLN A 50 -4.265 -7.536 3.293 1.00 0.00 C ATOM 778 O GLN A 50 -3.355 -6.983 3.908 1.00 0.00 O ATOM 779 CB GLN A 50 -5.416 -9.386 4.563 1.00 0.00 C ATOM 780 CG GLN A 50 -5.405 -10.887 4.858 1.00 0.00 C ATOM 781 CD GLN A 50 -6.551 -11.269 5.797 1.00 0.00 C ATOM 782 OE1 GLN A 50 -6.561 -10.940 6.972 1.00 0.00 O ATOM 783 NE2 GLN A 50 -7.512 -11.981 5.216 1.00 0.00 N ATOM 0 H GLN A 50 -2.831 -9.730 4.514 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.938 -9.399 2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.117 -8.834 5.454 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.429 -9.068 4.316 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.492 -11.445 3.926 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.452 -11.166 5.309 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.441 -12.222 4.227 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.320 -12.286 5.759 1.00 0.00 H new ATOM 792 N ALA A 51 -5.124 -6.910 2.501 1.00 0.00 N ATOM 793 CA ALA A 51 -5.046 -5.473 2.299 1.00 0.00 C ATOM 794 C ALA A 51 -5.123 -4.767 3.654 1.00 0.00 C ATOM 795 O ALA A 51 -4.340 -3.859 3.930 1.00 0.00 O ATOM 796 CB ALA A 51 -6.159 -5.030 1.347 1.00 0.00 C ATOM 0 H ALA A 51 -5.877 -7.372 1.992 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.096 -5.201 1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.101 -3.952 1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.042 -5.538 0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.128 -5.284 1.777 1.00 0.00 H new ATOM 802 N THR A 52 -6.072 -5.211 4.464 1.00 0.00 N ATOM 803 CA THR A 52 -6.261 -4.633 5.784 1.00 0.00 C ATOM 804 C THR A 52 -4.921 -4.518 6.513 1.00 0.00 C ATOM 805 O THR A 52 -4.616 -3.481 7.098 1.00 0.00 O ATOM 806 CB THR A 52 -7.288 -5.486 6.531 1.00 0.00 C ATOM 807 OG1 THR A 52 -7.797 -4.615 7.537 1.00 0.00 O ATOM 808 CG2 THR A 52 -6.641 -6.627 7.319 1.00 0.00 C ATOM 0 H THR A 52 -6.719 -5.965 4.232 1.00 0.00 H new ATOM 0 HA THR A 52 -6.648 -3.616 5.719 1.00 0.00 H new ATOM 0 HB THR A 52 -8.004 -5.897 5.819 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.472 -5.088 8.068 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.414 -7.201 7.830 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.098 -7.279 6.635 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.949 -6.215 8.054 1.00 0.00 H new ATOM 816 N GLU A 53 -4.157 -5.599 6.453 1.00 0.00 N ATOM 817 CA GLU A 53 -2.857 -5.633 7.101 1.00 0.00 C ATOM 818 C GLU A 53 -1.899 -4.653 6.419 1.00 0.00 C ATOM 819 O GLU A 53 -1.065 -4.036 7.079 1.00 0.00 O ATOM 820 CB GLU A 53 -2.282 -7.051 7.102 1.00 0.00 C ATOM 821 CG GLU A 53 -1.833 -7.459 8.506 1.00 0.00 C ATOM 822 CD GLU A 53 -0.316 -7.656 8.562 1.00 0.00 C ATOM 823 OE1 GLU A 53 0.391 -6.625 8.527 1.00 0.00 O ATOM 824 OE2 GLU A 53 0.101 -8.831 8.638 1.00 0.00 O ATOM 0 H GLU A 53 -4.413 -6.458 5.966 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.982 -5.326 8.140 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.033 -7.752 6.738 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.437 -7.105 6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.131 -6.694 9.223 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.334 -8.382 8.798 1.00 0.00 H new ATOM 831 N ILE A 54 -2.052 -4.542 5.108 1.00 0.00 N ATOM 832 CA ILE A 54 -1.211 -3.648 4.330 1.00 0.00 C ATOM 833 C ILE A 54 -1.446 -2.207 4.787 1.00 0.00 C ATOM 834 O ILE A 54 -0.509 -1.412 4.854 1.00 0.00 O ATOM 835 CB ILE A 54 -1.441 -3.863 2.833 1.00 0.00 C ATOM 836 CG1 ILE A 54 -0.883 -5.214 2.381 1.00 0.00 C ATOM 837 CG2 ILE A 54 -0.865 -2.704 2.017 1.00 0.00 C ATOM 838 CD1 ILE A 54 -1.480 -5.632 1.035 1.00 0.00 C ATOM 0 H ILE A 54 -2.746 -5.056 4.565 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.158 -3.870 4.502 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.516 -3.881 2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.202 -5.154 2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.104 -5.972 3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.042 -2.882 0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.349 -1.774 2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.207 -2.629 2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.066 -6.595 0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.563 -5.715 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.236 -4.884 0.281 1.00 0.00 H new ATOM 850 N CYS A 55 -2.702 -1.914 5.091 1.00 0.00 N ATOM 851 CA CYS A 55 -3.072 -0.582 5.541 1.00 0.00 C ATOM 852 C CYS A 55 -2.227 -0.238 6.769 1.00 0.00 C ATOM 853 O CYS A 55 -1.744 0.886 6.899 1.00 0.00 O ATOM 854 CB CYS A 55 -4.570 -0.480 5.832 1.00 0.00 C ATOM 855 SG CYS A 55 -5.359 0.678 4.654 1.00 0.00 S ATOM 0 H CYS A 55 -3.476 -2.576 5.035 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.872 0.141 4.750 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.032 -1.464 5.752 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.728 -0.136 6.854 1.00 0.00 H new ATOM 0 HG CYS A 55 -6.494 1.085 5.140 1.00 0.00 H new ATOM 861 N GLN A 56 -2.074 -1.226 7.638 1.00 0.00 N ATOM 862 CA GLN A 56 -1.295 -1.041 8.851 1.00 0.00 C ATOM 863 C GLN A 56 0.113 -0.549 8.509 1.00 0.00 C ATOM 864 O GLN A 56 0.630 0.361 9.154 1.00 0.00 O ATOM 865 CB GLN A 56 -1.241 -2.332 9.670 1.00 0.00 C ATOM 866 CG GLN A 56 -1.465 -2.049 11.156 1.00 0.00 C ATOM 867 CD GLN A 56 -0.264 -1.321 11.763 1.00 0.00 C ATOM 868 OE1 GLN A 56 -0.268 -0.117 11.959 1.00 0.00 O ATOM 869 NE2 GLN A 56 0.763 -2.117 12.049 1.00 0.00 N ATOM 0 H GLN A 56 -2.476 -2.157 7.527 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.785 -0.282 9.461 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.000 -3.027 9.310 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.274 -2.815 9.530 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.363 -1.445 11.283 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.633 -2.986 11.687 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.701 -3.117 11.860 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.612 -1.727 12.458 1.00 0.00 H new ATOM 878 N ALA A 57 0.692 -1.173 7.494 1.00 0.00 N ATOM 879 CA ALA A 57 2.030 -0.811 7.058 1.00 0.00 C ATOM 880 C ALA A 57 2.081 0.693 6.780 1.00 0.00 C ATOM 881 O ALA A 57 3.106 1.335 7.004 1.00 0.00 O ATOM 882 CB ALA A 57 2.411 -1.643 5.832 1.00 0.00 C ATOM 0 H ALA A 57 0.259 -1.927 6.961 1.00 0.00 H new ATOM 0 HA ALA A 57 2.759 -1.028 7.838 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.415 -1.371 5.505 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.388 -2.702 6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.702 -1.450 5.027 1.00 0.00 H new ATOM 888 N ILE A 58 0.962 1.212 6.297 1.00 0.00 N ATOM 889 CA ILE A 58 0.866 2.628 5.986 1.00 0.00 C ATOM 890 C ILE A 58 0.775 3.426 7.288 1.00 0.00 C ATOM 891 O ILE A 58 1.597 4.305 7.541 1.00 0.00 O ATOM 892 CB ILE A 58 -0.294 2.888 5.023 1.00 0.00 C ATOM 893 CG1 ILE A 58 -0.019 2.264 3.653 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.597 4.384 4.921 1.00 0.00 C ATOM 895 CD1 ILE A 58 -1.161 1.337 3.233 1.00 0.00 C ATOM 0 H ILE A 58 0.113 0.677 6.113 1.00 0.00 H new ATOM 0 HA ILE A 58 1.763 2.966 5.466 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.186 2.406 5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.107 3.051 2.910 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.915 1.704 3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.425 4.541 4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.867 4.768 5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.285 4.910 4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.940 0.907 2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.269 0.537 3.966 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.089 1.905 3.178 1.00 0.00 H new ATOM 907 N ASN A 59 -0.233 3.091 8.081 1.00 0.00 N ATOM 908 CA ASN A 59 -0.443 3.766 9.350 1.00 0.00 C ATOM 909 C ASN A 59 0.828 3.659 10.196 1.00 0.00 C ATOM 910 O ASN A 59 1.110 4.534 11.012 1.00 0.00 O ATOM 911 CB ASN A 59 -1.587 3.121 10.134 1.00 0.00 C ATOM 912 CG ASN A 59 -2.905 3.858 9.887 1.00 0.00 C ATOM 913 OD1 ASN A 59 -2.944 5.058 9.671 1.00 0.00 O ATOM 914 ND2 ASN A 59 -3.979 3.075 9.931 1.00 0.00 N ATOM 0 H ASN A 59 -0.913 2.361 7.869 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.690 4.807 9.141 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.690 2.076 9.841 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.354 3.132 11.199 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.906 3.472 9.779 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.876 2.077 10.117 1.00 0.00 H new ATOM 921 N GLU A 60 1.562 2.579 9.970 1.00 0.00 N ATOM 922 CA GLU A 60 2.796 2.346 10.701 1.00 0.00 C ATOM 923 C GLU A 60 3.826 3.424 10.358 1.00 0.00 C ATOM 924 O GLU A 60 4.862 3.529 11.014 1.00 0.00 O ATOM 925 CB GLU A 60 3.348 0.949 10.414 1.00 0.00 C ATOM 926 CG GLU A 60 4.270 0.481 11.542 1.00 0.00 C ATOM 927 CD GLU A 60 4.386 -1.045 11.558 1.00 0.00 C ATOM 928 OE1 GLU A 60 5.066 -1.571 10.651 1.00 0.00 O ATOM 929 OE2 GLU A 60 3.793 -1.649 12.477 1.00 0.00 O ATOM 0 H GLU A 60 1.326 1.856 9.291 1.00 0.00 H new ATOM 0 HA GLU A 60 2.580 2.403 11.768 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.524 0.245 10.298 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.896 0.957 9.472 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.258 0.923 11.416 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.885 0.830 12.500 1.00 0.00 H new ATOM 936 N LEU A 61 3.507 4.197 9.331 1.00 0.00 N ATOM 937 CA LEU A 61 4.393 5.263 8.893 1.00 0.00 C ATOM 938 C LEU A 61 4.132 6.515 9.733 1.00 0.00 C ATOM 939 O LEU A 61 4.913 6.841 10.626 1.00 0.00 O ATOM 940 CB LEU A 61 4.251 5.493 7.387 1.00 0.00 C ATOM 941 CG LEU A 61 4.269 4.238 6.512 1.00 0.00 C ATOM 942 CD1 LEU A 61 3.815 4.557 5.086 1.00 0.00 C ATOM 943 CD2 LEU A 61 5.646 3.571 6.540 1.00 0.00 C ATOM 0 H LEU A 61 2.648 4.107 8.789 1.00 0.00 H new ATOM 0 HA LEU A 61 5.434 4.982 9.053 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.316 6.024 7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.058 6.150 7.062 1.00 0.00 H new ATOM 0 HG LEU A 61 3.556 3.523 6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.837 3.648 4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.800 4.953 5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.484 5.298 4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.632 2.681 5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.396 4.268 6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.892 3.287 7.563 1.00 0.00 H new ATOM 955 N GLY A 62 3.031 7.181 9.419 1.00 0.00 N ATOM 956 CA GLY A 62 2.657 8.390 10.134 1.00 0.00 C ATOM 957 C GLY A 62 1.609 9.186 9.354 1.00 0.00 C ATOM 958 O GLY A 62 1.677 10.413 9.291 1.00 0.00 O ATOM 0 H GLY A 62 2.385 6.907 8.679 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.264 8.129 11.116 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.540 9.008 10.298 1.00 0.00 H new ATOM 962 N TYR A 63 0.664 8.456 8.781 1.00 0.00 N ATOM 963 CA TYR A 63 -0.398 9.079 8.008 1.00 0.00 C ATOM 964 C TYR A 63 -1.715 8.319 8.175 1.00 0.00 C ATOM 965 O TYR A 63 -1.816 7.420 9.008 1.00 0.00 O ATOM 966 CB TYR A 63 0.042 8.997 6.545 1.00 0.00 C ATOM 967 CG TYR A 63 1.560 8.958 6.353 1.00 0.00 C ATOM 968 CD1 TYR A 63 2.332 10.037 6.732 1.00 0.00 C ATOM 969 CD2 TYR A 63 2.156 7.843 5.800 1.00 0.00 C ATOM 970 CE1 TYR A 63 3.760 10.000 6.551 1.00 0.00 C ATOM 971 CE2 TYR A 63 3.584 7.806 5.619 1.00 0.00 C ATOM 972 CZ TYR A 63 4.316 8.886 6.003 1.00 0.00 C ATOM 973 OH TYR A 63 5.664 8.851 5.832 1.00 0.00 O ATOM 0 H TYR A 63 0.611 7.439 8.836 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.563 10.105 8.338 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.394 8.105 6.095 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.360 9.855 6.007 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.865 10.910 7.165 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.552 6.999 5.503 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.376 10.838 6.844 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.063 6.940 5.188 1.00 0.00 H new ATOM 0 HH TYR A 63 5.917 9.455 5.103 1.00 0.00 H new ATOM 983 N GLN A 64 -2.692 8.710 7.370 1.00 0.00 N ATOM 984 CA GLN A 64 -4.000 8.077 7.418 1.00 0.00 C ATOM 985 C GLN A 64 -4.193 7.166 6.204 1.00 0.00 C ATOM 986 O GLN A 64 -3.970 7.583 5.068 1.00 0.00 O ATOM 987 CB GLN A 64 -5.112 9.124 7.501 1.00 0.00 C ATOM 988 CG GLN A 64 -6.099 8.787 8.621 1.00 0.00 C ATOM 989 CD GLN A 64 -5.755 9.549 9.903 1.00 0.00 C ATOM 990 OE1 GLN A 64 -4.802 9.242 10.601 1.00 0.00 O ATOM 991 NE2 GLN A 64 -6.581 10.555 10.172 1.00 0.00 N ATOM 0 H GLN A 64 -2.605 9.457 6.681 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.054 7.465 8.319 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.678 10.108 7.678 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.640 9.175 6.549 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.112 9.037 8.306 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.082 7.715 8.815 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.359 10.757 9.545 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.436 11.125 11.006 1.00 0.00 H new ATOM 1000 N ALA A 65 -4.607 5.939 6.484 1.00 0.00 N ATOM 1001 CA ALA A 65 -4.834 4.966 5.430 1.00 0.00 C ATOM 1002 C ALA A 65 -6.122 4.194 5.722 1.00 0.00 C ATOM 1003 O ALA A 65 -6.358 3.781 6.856 1.00 0.00 O ATOM 1004 CB ALA A 65 -3.616 4.047 5.313 1.00 0.00 C ATOM 0 H ALA A 65 -4.791 5.596 7.427 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.960 5.464 4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.786 3.317 4.522 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.734 4.641 5.075 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.460 3.528 6.259 1.00 0.00 H new ATOM 1010 N GLU A 66 -6.921 4.022 4.679 1.00 0.00 N ATOM 1011 CA GLU A 66 -8.179 3.306 4.810 1.00 0.00 C ATOM 1012 C GLU A 66 -8.416 2.421 3.585 1.00 0.00 C ATOM 1013 O GLU A 66 -8.286 2.878 2.450 1.00 0.00 O ATOM 1014 CB GLU A 66 -9.342 4.277 5.019 1.00 0.00 C ATOM 1015 CG GLU A 66 -9.870 4.201 6.453 1.00 0.00 C ATOM 1016 CD GLU A 66 -10.171 5.597 7.001 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -9.195 6.351 7.202 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -11.371 5.879 7.207 1.00 0.00 O ATOM 0 H GLU A 66 -6.722 4.366 3.740 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.121 2.665 5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.015 5.294 4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.145 4.044 4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.774 3.593 6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.135 3.707 7.089 1.00 0.00 H new ATOM 1025 N VAL A 67 -8.760 1.171 3.855 1.00 0.00 N ATOM 1026 CA VAL A 67 -9.016 0.218 2.789 1.00 0.00 C ATOM 1027 C VAL A 67 -10.287 0.626 2.041 1.00 0.00 C ATOM 1028 O VAL A 67 -11.297 0.957 2.660 1.00 0.00 O ATOM 1029 CB VAL A 67 -9.088 -1.200 3.360 1.00 0.00 C ATOM 1030 CG1 VAL A 67 -9.467 -2.210 2.275 1.00 0.00 C ATOM 1031 CG2 VAL A 67 -7.770 -1.587 4.034 1.00 0.00 C ATOM 0 H VAL A 67 -8.868 0.796 4.797 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.198 0.223 2.068 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.870 -1.216 4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.511 -3.209 2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.441 -1.951 1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.719 -2.190 1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.848 -2.599 4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.962 -1.545 3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.560 -0.893 4.848 1.00 0.00 H new ATOM 1041 N ILE A 68 -10.194 0.589 0.720 1.00 0.00 N ATOM 1042 CA ILE A 68 -11.324 0.951 -0.120 1.00 0.00 C ATOM 1043 C ILE A 68 -11.318 0.082 -1.379 1.00 0.00 C ATOM 1044 O ILE A 68 -11.661 -1.098 -1.324 1.00 0.00 O ATOM 1045 CB ILE A 68 -11.316 2.454 -0.410 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -11.870 3.244 0.777 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -12.066 2.765 -1.707 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -10.738 3.758 1.670 1.00 0.00 C ATOM 0 H ILE A 68 -9.354 0.314 0.210 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.262 0.754 0.399 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.283 2.770 -0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.462 4.084 0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.539 2.611 1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -12.046 3.839 -1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.587 2.246 -2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.100 2.431 -1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.159 4.316 2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.163 2.914 2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.085 4.411 1.090 1.00 0.00 H new