USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 719 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 41 TYR OH : rot 160:sc= 1.1 USER MOD Set 1.2: A 67 TYR OH : rot 99:sc= 0.0213 USER MOD Set 2.1: A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -171:sc= 0.131 (180deg=0.108) USER MOD Set 3.1: A 29 GLN : amide:sc= 1.1 K(o=2.1,f=-0.46) USER MOD Set 3.2: A 32 THR OG1 : rot 160:sc= 0.97 USER MOD Set 4.1: A 12 ASN : amide:sc= 1.06 K(o=2.2,f=-9.6!) USER MOD Set 4.2: A 16 LYS NZ :NH3+ 152:sc= 1.14 (180deg=-1.29!) USER MOD Set 5.1: A 10 GLN : amide:sc= -0.141 K(o=0.5,f=-0.69) USER MOD Set 5.2: A 26 CYS SG : rot 69:sc= 0.645 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0.0916 K(o=0.092,f=-2.2!) USER MOD Single : A 8 LYS NZ :NH3+ 168:sc= 2.74 (180deg=2.42) USER MOD Single : A 13 SER OG : rot 66:sc= 1.25 USER MOD Single : A 17 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.23) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 27 TYR OH : rot -33:sc= 1.28 USER MOD Single : A 34 GLN : amide:sc= 0.783 X(o=0.78,f=0.43) USER MOD Single : A 36 GLN : amide:sc= -0.0241 X(o=-0.024,f=-0.33) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 58:sc= 1.23 USER MOD Single : A 43 ASN : amide:sc= 1.25 K(o=1.2,f=-1.7) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0645 X(o=-0.065,f=-0.43) USER MOD Single : A 59 GLN : amide:sc= -0.957 X(o=-0.96,f=-1) USER MOD Single : A 60 MET CE :methyl -147:sc= -0.081 (180deg=-0.83) USER MOD Single : A 61 CYS SG : rot 72:sc= 0.533 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 63 GLN : amide:sc= -0.353 X(o=-0.35,f=-0.058) USER MOD Single : A 68 THR OG1 : rot -67:sc= 1.14 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.0579 X(o=-0.058,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.58 K(o=-0.58,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.672 K(o=0.67,f=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 3 16.364 9.518 -10.013 1.00 0.00 N ATOM 31 CA GLN A 3 16.662 9.385 -8.578 1.00 0.00 C ATOM 32 C GLN A 3 15.416 9.559 -7.689 1.00 0.00 C ATOM 33 O GLN A 3 15.374 9.017 -6.588 1.00 0.00 O ATOM 34 CB GLN A 3 17.829 10.299 -8.159 1.00 0.00 C ATOM 35 CG GLN A 3 18.274 10.018 -6.705 1.00 0.00 C ATOM 36 CD GLN A 3 19.683 10.488 -6.345 1.00 0.00 C ATOM 37 OE1 GLN A 3 20.396 11.122 -7.115 1.00 0.00 O ATOM 38 NE2 GLN A 3 20.170 10.153 -5.173 1.00 0.00 N ATOM 0 HA GLN A 3 16.989 8.358 -8.416 1.00 0.00 H new ATOM 0 HB2 GLN A 3 18.671 10.148 -8.834 1.00 0.00 H new ATOM 0 HB3 GLN A 3 17.528 11.342 -8.253 1.00 0.00 H new ATOM 0 HG2 GLN A 3 17.566 10.497 -6.028 1.00 0.00 H new ATOM 0 HG3 GLN A 3 18.211 8.945 -6.525 1.00 0.00 H new ATOM 0 HE21 GLN A 3 19.597 9.625 -4.514 1.00 0.00 H new ATOM 0 HE22 GLN A 3 21.122 10.420 -4.921 1.00 0.00 H new ATOM 47 N PHE A 4 14.350 10.198 -8.172 1.00 0.00 N ATOM 48 CA PHE A 4 13.073 10.262 -7.452 1.00 0.00 C ATOM 49 C PHE A 4 12.241 8.970 -7.576 1.00 0.00 C ATOM 50 O PHE A 4 11.368 8.708 -6.745 1.00 0.00 O ATOM 51 CB PHE A 4 12.336 11.563 -7.808 1.00 0.00 C ATOM 52 CG PHE A 4 10.872 11.457 -8.199 1.00 0.00 C ATOM 53 CD1 PHE A 4 10.467 10.738 -9.340 1.00 0.00 C ATOM 54 CD2 PHE A 4 9.908 12.135 -7.435 1.00 0.00 C ATOM 55 CE1 PHE A 4 9.116 10.700 -9.715 1.00 0.00 C ATOM 56 CE2 PHE A 4 8.557 12.106 -7.817 1.00 0.00 C ATOM 57 CZ PHE A 4 8.160 11.399 -8.964 1.00 0.00 C ATOM 0 H PHE A 4 14.345 10.684 -9.069 1.00 0.00 H new ATOM 0 HA PHE A 4 13.272 10.309 -6.381 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.408 12.235 -6.952 1.00 0.00 H new ATOM 0 HB3 PHE A 4 12.870 12.037 -8.631 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.202 10.212 -9.931 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.206 12.680 -6.552 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.812 10.132 -10.582 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.820 12.630 -7.226 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.123 11.394 -9.266 1.00 0.00 H new ATOM 67 N GLU A 5 12.536 8.111 -8.559 1.00 0.00 N ATOM 68 CA GLU A 5 12.095 6.710 -8.560 1.00 0.00 C ATOM 69 C GLU A 5 12.917 5.913 -7.551 1.00 0.00 C ATOM 70 O GLU A 5 12.376 5.205 -6.697 1.00 0.00 O ATOM 71 CB GLU A 5 12.240 6.077 -9.951 1.00 0.00 C ATOM 72 CG GLU A 5 11.823 6.958 -11.129 1.00 0.00 C ATOM 73 CD GLU A 5 10.331 7.347 -11.160 1.00 0.00 C ATOM 74 OE1 GLU A 5 9.638 7.355 -10.116 1.00 0.00 O ATOM 75 OE2 GLU A 5 9.843 7.669 -12.270 1.00 0.00 O ATOM 0 H GLU A 5 13.088 8.368 -9.377 1.00 0.00 H new ATOM 0 HA GLU A 5 11.041 6.688 -8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.281 5.786 -10.090 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.647 5.163 -9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.420 7.870 -11.110 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.066 6.438 -12.055 1.00 0.00 H new ATOM 83 N LYS A 6 14.239 6.118 -7.586 1.00 0.00 N ATOM 84 CA LYS A 6 15.183 5.485 -6.672 1.00 0.00 C ATOM 85 C LYS A 6 14.839 5.781 -5.216 1.00 0.00 C ATOM 86 O LYS A 6 14.830 4.851 -4.426 1.00 0.00 O ATOM 87 CB LYS A 6 16.608 5.908 -7.054 1.00 0.00 C ATOM 88 CG LYS A 6 17.694 5.039 -6.415 1.00 0.00 C ATOM 89 CD LYS A 6 18.210 5.607 -5.077 1.00 0.00 C ATOM 90 CE LYS A 6 18.974 4.578 -4.236 1.00 0.00 C ATOM 91 NZ LYS A 6 20.365 4.370 -4.698 1.00 0.00 N ATOM 0 H LYS A 6 14.685 6.738 -8.262 1.00 0.00 H new ATOM 0 HA LYS A 6 15.116 4.401 -6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.712 5.867 -8.138 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.763 6.945 -6.757 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.299 4.037 -6.250 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.529 4.942 -7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 6 18.862 6.457 -5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 6 17.365 5.983 -4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.988 4.905 -3.196 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.442 3.627 -4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.830 3.665 -4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.357 4.030 -5.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.886 5.269 -4.646 1.00 0.00 H new ATOM 105 N GLN A 7 14.480 7.014 -4.847 1.00 0.00 N ATOM 106 CA GLN A 7 14.176 7.365 -3.461 1.00 0.00 C ATOM 107 C GLN A 7 12.829 6.796 -2.957 1.00 0.00 C ATOM 108 O GLN A 7 12.701 6.527 -1.759 1.00 0.00 O ATOM 109 CB GLN A 7 14.397 8.874 -3.241 1.00 0.00 C ATOM 110 CG GLN A 7 13.223 9.819 -3.509 1.00 0.00 C ATOM 111 CD GLN A 7 13.684 11.281 -3.473 1.00 0.00 C ATOM 112 OE1 GLN A 7 13.913 11.920 -4.493 1.00 0.00 O ATOM 113 NE2 GLN A 7 13.849 11.878 -2.316 1.00 0.00 N ATOM 0 H GLN A 7 14.393 7.793 -5.500 1.00 0.00 H new ATOM 0 HA GLN A 7 14.885 6.858 -2.806 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.712 9.018 -2.208 1.00 0.00 H new ATOM 0 HB3 GLN A 7 15.228 9.186 -3.874 1.00 0.00 H new ATOM 0 HG2 GLN A 7 12.784 9.595 -4.481 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.444 9.660 -2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 7 13.666 11.371 -1.450 1.00 0.00 H new ATOM 0 HE22 GLN A 7 14.160 12.849 -2.283 1.00 0.00 H new ATOM 122 N LYS A 8 11.859 6.500 -3.848 1.00 0.00 N ATOM 123 CA LYS A 8 10.637 5.752 -3.475 1.00 0.00 C ATOM 124 C LYS A 8 10.884 4.237 -3.343 1.00 0.00 C ATOM 125 O LYS A 8 10.419 3.625 -2.380 1.00 0.00 O ATOM 126 CB LYS A 8 9.398 6.144 -4.319 1.00 0.00 C ATOM 127 CG LYS A 8 9.443 5.847 -5.825 1.00 0.00 C ATOM 128 CD LYS A 8 8.128 6.135 -6.584 1.00 0.00 C ATOM 129 CE LYS A 8 7.753 7.618 -6.787 1.00 0.00 C ATOM 130 NZ LYS A 8 8.683 8.292 -7.735 1.00 0.00 N ATOM 0 H LYS A 8 11.898 6.767 -4.832 1.00 0.00 H new ATOM 0 HA LYS A 8 10.373 6.071 -2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.531 5.633 -3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.229 7.213 -4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.241 6.438 -6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.705 4.798 -5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.191 5.663 -7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.313 5.649 -6.048 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.733 7.688 -7.165 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.773 8.134 -5.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.292 9.217 -8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.607 8.428 -7.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.800 7.703 -8.584 1.00 0.00 H new ATOM 144 N GLU A 9 11.697 3.646 -4.217 1.00 0.00 N ATOM 145 CA GLU A 9 12.178 2.254 -4.094 1.00 0.00 C ATOM 146 C GLU A 9 13.084 2.055 -2.861 1.00 0.00 C ATOM 147 O GLU A 9 12.946 1.084 -2.116 1.00 0.00 O ATOM 148 CB GLU A 9 12.924 1.886 -5.388 1.00 0.00 C ATOM 149 CG GLU A 9 11.977 1.662 -6.587 1.00 0.00 C ATOM 150 CD GLU A 9 11.760 0.175 -6.926 1.00 0.00 C ATOM 151 OE1 GLU A 9 11.705 -0.683 -6.009 1.00 0.00 O ATOM 152 OE2 GLU A 9 11.688 -0.159 -8.133 1.00 0.00 O ATOM 0 H GLU A 9 12.051 4.121 -5.047 1.00 0.00 H new ATOM 0 HA GLU A 9 11.321 1.596 -3.950 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.629 2.680 -5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.508 0.981 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.013 2.122 -6.370 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.383 2.171 -7.461 1.00 0.00 H new ATOM 160 N GLN A 10 13.966 3.017 -2.580 1.00 0.00 N ATOM 161 CA GLN A 10 14.864 3.052 -1.424 1.00 0.00 C ATOM 162 C GLN A 10 14.080 3.063 -0.110 1.00 0.00 C ATOM 163 O GLN A 10 14.344 2.230 0.751 1.00 0.00 O ATOM 164 CB GLN A 10 15.770 4.287 -1.560 1.00 0.00 C ATOM 165 CG GLN A 10 16.748 4.526 -0.403 1.00 0.00 C ATOM 166 CD GLN A 10 17.619 5.768 -0.620 1.00 0.00 C ATOM 167 OE1 GLN A 10 17.702 6.348 -1.695 1.00 0.00 O ATOM 168 NE2 GLN A 10 18.321 6.210 0.398 1.00 0.00 N ATOM 0 H GLN A 10 14.079 3.833 -3.182 1.00 0.00 H new ATOM 0 HA GLN A 10 15.478 2.152 -1.402 1.00 0.00 H new ATOM 0 HB2 GLN A 10 16.343 4.194 -2.482 1.00 0.00 H new ATOM 0 HB3 GLN A 10 15.138 5.169 -1.665 1.00 0.00 H new ATOM 0 HG2 GLN A 10 16.188 4.636 0.525 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.389 3.652 -0.287 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.263 5.738 1.301 1.00 0.00 H new ATOM 0 HE22 GLN A 10 18.924 7.025 0.286 1.00 0.00 H new ATOM 177 N GLY A 11 13.074 3.932 0.048 1.00 0.00 N ATOM 178 CA GLY A 11 12.257 3.932 1.266 1.00 0.00 C ATOM 179 C GLY A 11 11.456 2.636 1.455 1.00 0.00 C ATOM 180 O GLY A 11 11.427 2.109 2.563 1.00 0.00 O ATOM 0 H GLY A 11 12.809 4.635 -0.642 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.904 4.081 2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.568 4.776 1.234 1.00 0.00 H new ATOM 184 N ASN A 12 10.891 2.044 0.391 1.00 0.00 N ATOM 185 CA ASN A 12 10.245 0.726 0.483 1.00 0.00 C ATOM 186 C ASN A 12 11.237 -0.374 0.924 1.00 0.00 C ATOM 187 O ASN A 12 10.928 -1.185 1.802 1.00 0.00 O ATOM 188 CB ASN A 12 9.609 0.379 -0.869 1.00 0.00 C ATOM 189 CG ASN A 12 8.868 -0.944 -0.793 1.00 0.00 C ATOM 190 OD1 ASN A 12 8.083 -1.184 0.111 1.00 0.00 O ATOM 191 ND2 ASN A 12 9.110 -1.862 -1.688 1.00 0.00 N ATOM 0 H ASN A 12 10.869 2.457 -0.541 1.00 0.00 H new ATOM 0 HA ASN A 12 9.470 0.775 1.248 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.920 1.170 -1.166 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.382 0.325 -1.636 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.645 -2.768 -1.628 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.764 -1.674 -2.448 1.00 0.00 H new ATOM 198 N SER A 13 12.452 -0.346 0.369 1.00 0.00 N ATOM 199 CA SER A 13 13.554 -1.237 0.750 1.00 0.00 C ATOM 200 C SER A 13 13.941 -1.051 2.222 1.00 0.00 C ATOM 201 O SER A 13 14.084 -2.031 2.945 1.00 0.00 O ATOM 202 CB SER A 13 14.779 -1.003 -0.145 1.00 0.00 C ATOM 203 OG SER A 13 14.440 -1.104 -1.518 1.00 0.00 O ATOM 0 H SER A 13 12.703 0.309 -0.372 1.00 0.00 H new ATOM 0 HA SER A 13 13.206 -2.261 0.614 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.197 -0.017 0.057 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.553 -1.732 0.096 1.00 0.00 H new ATOM 0 HG SER A 13 13.831 -0.375 -1.759 1.00 0.00 H new ATOM 209 N LEU A 14 14.050 0.193 2.699 1.00 0.00 N ATOM 210 CA LEU A 14 14.356 0.530 4.094 1.00 0.00 C ATOM 211 C LEU A 14 13.241 0.073 5.060 1.00 0.00 C ATOM 212 O LEU A 14 13.550 -0.484 6.114 1.00 0.00 O ATOM 213 CB LEU A 14 14.625 2.046 4.180 1.00 0.00 C ATOM 214 CG LEU A 14 15.961 2.531 3.573 1.00 0.00 C ATOM 215 CD1 LEU A 14 15.932 4.050 3.409 1.00 0.00 C ATOM 216 CD2 LEU A 14 17.147 2.169 4.465 1.00 0.00 C ATOM 0 H LEU A 14 13.925 1.016 2.110 1.00 0.00 H new ATOM 0 HA LEU A 14 15.248 -0.010 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.810 2.569 3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.597 2.341 5.229 1.00 0.00 H new ATOM 0 HG LEU A 14 16.080 2.039 2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.876 4.388 2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 14 15.113 4.329 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.787 4.518 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 14 18.069 2.526 4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 14 17.023 2.636 5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 14 17.196 1.087 4.584 1.00 0.00 H new ATOM 228 N PHE A 15 11.955 0.189 4.691 1.00 0.00 N ATOM 229 CA PHE A 15 10.844 -0.403 5.462 1.00 0.00 C ATOM 230 C PHE A 15 10.967 -1.932 5.590 1.00 0.00 C ATOM 231 O PHE A 15 10.664 -2.480 6.654 1.00 0.00 O ATOM 232 CB PHE A 15 9.479 -0.029 4.848 1.00 0.00 C ATOM 233 CG PHE A 15 9.010 1.384 5.145 1.00 0.00 C ATOM 234 CD1 PHE A 15 8.780 1.774 6.476 1.00 0.00 C ATOM 235 CD2 PHE A 15 8.781 2.307 4.108 1.00 0.00 C ATOM 236 CE1 PHE A 15 8.410 3.094 6.783 1.00 0.00 C ATOM 237 CE2 PHE A 15 8.375 3.620 4.404 1.00 0.00 C ATOM 238 CZ PHE A 15 8.198 4.016 5.742 1.00 0.00 C ATOM 0 H PHE A 15 11.655 0.692 3.856 1.00 0.00 H new ATOM 0 HA PHE A 15 10.907 0.017 6.466 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.536 -0.158 3.767 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.728 -0.730 5.214 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.889 1.051 7.271 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.918 2.005 3.080 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.289 3.399 7.812 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.199 4.324 3.604 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.899 5.028 5.970 1.00 0.00 H new ATOM 248 N LYS A 16 11.468 -2.623 4.556 1.00 0.00 N ATOM 249 CA LYS A 16 11.739 -4.074 4.588 1.00 0.00 C ATOM 250 C LYS A 16 12.890 -4.488 5.525 1.00 0.00 C ATOM 251 O LYS A 16 12.911 -5.644 5.942 1.00 0.00 O ATOM 252 CB LYS A 16 11.977 -4.615 3.161 1.00 0.00 C ATOM 253 CG LYS A 16 10.844 -5.506 2.624 1.00 0.00 C ATOM 254 CD LYS A 16 9.762 -4.774 1.822 1.00 0.00 C ATOM 255 CE LYS A 16 8.915 -3.778 2.624 1.00 0.00 C ATOM 256 NZ LYS A 16 7.741 -3.364 1.836 1.00 0.00 N ATOM 0 H LYS A 16 11.700 -2.189 3.663 1.00 0.00 H new ATOM 0 HA LYS A 16 10.843 -4.529 5.010 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.112 -3.772 2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.907 -5.184 3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.280 -6.280 1.993 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.370 -6.011 3.466 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.240 -4.241 1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.098 -5.515 1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.592 -4.234 3.560 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.514 -2.906 2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.965 -3.106 2.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.990 -2.544 1.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.438 -4.150 1.226 1.00 0.00 H new ATOM 270 N GLN A 17 13.791 -3.573 5.904 1.00 0.00 N ATOM 271 CA GLN A 17 14.817 -3.795 6.945 1.00 0.00 C ATOM 272 C GLN A 17 14.447 -3.172 8.307 1.00 0.00 C ATOM 273 O GLN A 17 15.256 -3.207 9.235 1.00 0.00 O ATOM 274 CB GLN A 17 16.209 -3.312 6.480 1.00 0.00 C ATOM 275 CG GLN A 17 16.904 -4.245 5.472 1.00 0.00 C ATOM 276 CD GLN A 17 16.309 -4.102 4.084 1.00 0.00 C ATOM 277 OE1 GLN A 17 15.458 -4.870 3.651 1.00 0.00 O ATOM 278 NE2 GLN A 17 16.667 -3.070 3.360 1.00 0.00 N ATOM 0 H GLN A 17 13.833 -2.641 5.493 1.00 0.00 H new ATOM 0 HA GLN A 17 14.858 -4.874 7.097 1.00 0.00 H new ATOM 0 HB2 GLN A 17 16.106 -2.324 6.030 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.851 -3.199 7.354 1.00 0.00 H new ATOM 0 HG2 GLN A 17 17.969 -4.017 5.438 1.00 0.00 H new ATOM 0 HG3 GLN A 17 16.809 -5.278 5.805 1.00 0.00 H new ATOM 0 HE21 GLN A 17 17.374 -2.423 3.709 1.00 0.00 H new ATOM 0 HE22 GLN A 17 16.238 -2.914 2.448 1.00 0.00 H new ATOM 287 N GLY A 18 13.257 -2.581 8.450 1.00 0.00 N ATOM 288 CA GLY A 18 12.842 -1.940 9.702 1.00 0.00 C ATOM 289 C GLY A 18 13.450 -0.551 9.946 1.00 0.00 C ATOM 290 O GLY A 18 13.366 -0.034 11.060 1.00 0.00 O ATOM 0 H GLY A 18 12.559 -2.533 7.708 1.00 0.00 H new ATOM 0 HA2 GLY A 18 11.756 -1.852 9.706 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.112 -2.591 10.534 1.00 0.00 H new ATOM 294 N LEU A 19 14.056 0.070 8.929 1.00 0.00 N ATOM 295 CA LEU A 19 14.697 1.391 8.977 1.00 0.00 C ATOM 296 C LEU A 19 13.674 2.489 8.686 1.00 0.00 C ATOM 297 O LEU A 19 13.800 3.279 7.750 1.00 0.00 O ATOM 298 CB LEU A 19 15.928 1.388 8.050 1.00 0.00 C ATOM 299 CG LEU A 19 17.074 0.469 8.520 1.00 0.00 C ATOM 300 CD1 LEU A 19 18.134 0.354 7.425 1.00 0.00 C ATOM 301 CD2 LEU A 19 17.754 1.012 9.777 1.00 0.00 C ATOM 0 H LEU A 19 14.117 -0.355 8.004 1.00 0.00 H new ATOM 0 HA LEU A 19 15.069 1.613 9.977 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.616 1.079 7.052 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.306 2.407 7.965 1.00 0.00 H new ATOM 0 HG LEU A 19 16.635 -0.504 8.741 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.940 -0.297 7.765 1.00 0.00 H new ATOM 0 HD12 LEU A 19 17.684 -0.066 6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.536 1.342 7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.556 0.337 10.077 1.00 0.00 H new ATOM 0 HD22 LEU A 19 18.169 1.998 9.569 1.00 0.00 H new ATOM 0 HD23 LEU A 19 17.023 1.088 10.582 1.00 0.00 H new ATOM 313 N TYR A 20 12.611 2.494 9.490 1.00 0.00 N ATOM 314 CA TYR A 20 11.443 3.358 9.314 1.00 0.00 C ATOM 315 C TYR A 20 11.792 4.851 9.295 1.00 0.00 C ATOM 316 O TYR A 20 11.241 5.585 8.476 1.00 0.00 O ATOM 317 CB TYR A 20 10.429 3.106 10.439 1.00 0.00 C ATOM 318 CG TYR A 20 9.784 1.735 10.564 1.00 0.00 C ATOM 319 CD1 TYR A 20 9.936 0.727 9.589 1.00 0.00 C ATOM 320 CD2 TYR A 20 8.922 1.521 11.656 1.00 0.00 C ATOM 321 CE1 TYR A 20 9.156 -0.445 9.655 1.00 0.00 C ATOM 322 CE2 TYR A 20 8.159 0.344 11.738 1.00 0.00 C ATOM 323 CZ TYR A 20 8.245 -0.624 10.717 1.00 0.00 C ATOM 324 OH TYR A 20 7.442 -1.718 10.762 1.00 0.00 O ATOM 0 H TYR A 20 12.536 1.882 10.302 1.00 0.00 H new ATOM 0 HA TYR A 20 11.020 3.105 8.342 1.00 0.00 H new ATOM 0 HB2 TYR A 20 10.928 3.321 11.384 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.628 3.836 10.328 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.652 0.854 8.790 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.847 2.265 12.435 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.256 -1.205 8.894 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.507 0.181 12.583 1.00 0.00 H new ATOM 0 HH TYR A 20 6.879 -1.678 11.563 1.00 0.00 H new ATOM 334 N ARG A 21 12.726 5.311 10.143 1.00 0.00 N ATOM 335 CA ARG A 21 13.089 6.741 10.211 1.00 0.00 C ATOM 336 C ARG A 21 13.839 7.168 8.955 1.00 0.00 C ATOM 337 O ARG A 21 13.544 8.231 8.405 1.00 0.00 O ATOM 338 CB ARG A 21 13.902 7.057 11.479 1.00 0.00 C ATOM 339 CG ARG A 21 13.046 7.260 12.741 1.00 0.00 C ATOM 340 CD ARG A 21 12.216 6.052 13.194 1.00 0.00 C ATOM 341 NE ARG A 21 13.044 4.895 13.584 1.00 0.00 N ATOM 342 CZ ARG A 21 12.592 3.777 14.126 1.00 0.00 C ATOM 343 NH1 ARG A 21 11.321 3.545 14.291 1.00 0.00 N ATOM 344 NH2 ARG A 21 13.412 2.847 14.506 1.00 0.00 N ATOM 0 H ARG A 21 13.244 4.717 10.791 1.00 0.00 H new ATOM 0 HA ARG A 21 12.165 7.317 10.266 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.606 6.244 11.658 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.492 7.957 11.304 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.705 7.550 13.560 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.368 8.096 12.565 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.590 6.344 14.037 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.546 5.756 12.387 1.00 0.00 H new ATOM 0 HE ARG A 21 14.049 4.963 13.422 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.634 4.239 13.998 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.013 2.669 14.714 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.417 2.974 14.388 1.00 0.00 H new ATOM 0 HH22 ARG A 21 13.052 1.989 14.923 1.00 0.00 H new ATOM 358 N GLU A 22 14.720 6.303 8.452 1.00 0.00 N ATOM 359 CA GLU A 22 15.414 6.507 7.175 1.00 0.00 C ATOM 360 C GLU A 22 14.424 6.502 6.003 1.00 0.00 C ATOM 361 O GLU A 22 14.502 7.352 5.113 1.00 0.00 O ATOM 362 CB GLU A 22 16.458 5.405 6.925 1.00 0.00 C ATOM 363 CG GLU A 22 17.429 5.132 8.076 1.00 0.00 C ATOM 364 CD GLU A 22 18.483 6.212 8.329 1.00 0.00 C ATOM 365 OE1 GLU A 22 18.388 7.342 7.790 1.00 0.00 O ATOM 366 OE2 GLU A 22 19.435 5.941 9.099 1.00 0.00 O ATOM 0 H GLU A 22 14.976 5.434 8.921 1.00 0.00 H new ATOM 0 HA GLU A 22 15.910 7.476 7.239 1.00 0.00 H new ATOM 0 HB2 GLU A 22 15.932 4.479 6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 22 17.038 5.674 6.042 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.850 4.995 8.989 1.00 0.00 H new ATOM 0 HG3 GLU A 22 17.941 4.190 7.879 1.00 0.00 H new ATOM 374 N ALA A 23 13.481 5.555 6.021 1.00 0.00 N ATOM 375 CA ALA A 23 12.497 5.368 4.962 1.00 0.00 C ATOM 376 C ALA A 23 11.528 6.556 4.835 1.00 0.00 C ATOM 377 O ALA A 23 11.330 7.081 3.735 1.00 0.00 O ATOM 378 CB ALA A 23 11.733 4.072 5.241 1.00 0.00 C ATOM 0 H ALA A 23 13.382 4.888 6.787 1.00 0.00 H new ATOM 0 HA ALA A 23 13.021 5.306 4.008 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.990 3.912 4.460 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.430 3.234 5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.233 4.145 6.207 1.00 0.00 H new ATOM 384 N VAL A 24 10.979 7.019 5.966 1.00 0.00 N ATOM 385 CA VAL A 24 10.150 8.233 6.042 1.00 0.00 C ATOM 386 C VAL A 24 10.943 9.451 5.571 1.00 0.00 C ATOM 387 O VAL A 24 10.394 10.267 4.834 1.00 0.00 O ATOM 388 CB VAL A 24 9.595 8.432 7.471 1.00 0.00 C ATOM 389 CG1 VAL A 24 8.931 9.800 7.680 1.00 0.00 C ATOM 390 CG2 VAL A 24 8.533 7.367 7.784 1.00 0.00 C ATOM 0 H VAL A 24 11.099 6.556 6.867 1.00 0.00 H new ATOM 0 HA VAL A 24 9.296 8.113 5.375 1.00 0.00 H new ATOM 0 HB VAL A 24 10.459 8.354 8.131 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.563 9.873 8.704 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.660 10.590 7.499 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.097 9.910 6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.151 7.520 8.793 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.714 7.449 7.070 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.980 6.375 7.711 1.00 0.00 H new ATOM 400 N HIS A 25 12.238 9.550 5.896 1.00 0.00 N ATOM 401 CA HIS A 25 13.068 10.676 5.461 1.00 0.00 C ATOM 402 C HIS A 25 13.174 10.784 3.931 1.00 0.00 C ATOM 403 O HIS A 25 13.029 11.879 3.385 1.00 0.00 O ATOM 404 CB HIS A 25 14.462 10.579 6.095 1.00 0.00 C ATOM 405 CG HIS A 25 15.181 11.898 6.053 1.00 0.00 C ATOM 406 ND1 HIS A 25 14.795 13.041 6.714 1.00 0.00 N ATOM 407 CD2 HIS A 25 16.304 12.204 5.333 1.00 0.00 C ATOM 408 CE1 HIS A 25 15.671 14.013 6.416 1.00 0.00 C ATOM 409 NE2 HIS A 25 16.623 13.545 5.586 1.00 0.00 N ATOM 0 H HIS A 25 12.733 8.860 6.461 1.00 0.00 H new ATOM 0 HA HIS A 25 12.577 11.587 5.802 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.370 10.247 7.129 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.050 9.826 5.570 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.847 11.532 4.685 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.620 15.025 6.788 1.00 0.00 H new ATOM 0 HE2 HIS A 25 17.419 14.064 5.215 1.00 0.00 H new ATOM 418 N CYS A 26 13.362 9.657 3.230 1.00 0.00 N ATOM 419 CA CYS A 26 13.434 9.610 1.761 1.00 0.00 C ATOM 420 C CYS A 26 12.123 10.045 1.090 1.00 0.00 C ATOM 421 O CYS A 26 12.146 10.686 0.038 1.00 0.00 O ATOM 422 CB CYS A 26 13.782 8.174 1.321 1.00 0.00 C ATOM 423 SG CYS A 26 15.359 7.603 2.015 1.00 0.00 S ATOM 0 H CYS A 26 13.469 8.743 3.670 1.00 0.00 H new ATOM 0 HA CYS A 26 14.206 10.313 1.446 1.00 0.00 H new ATOM 0 HB2 CYS A 26 12.985 7.498 1.632 1.00 0.00 H new ATOM 0 HB3 CYS A 26 13.830 8.131 0.233 1.00 0.00 H new ATOM 0 HG CYS A 26 15.233 7.435 3.298 1.00 0.00 H new ATOM 429 N TYR A 27 10.986 9.717 1.711 1.00 0.00 N ATOM 430 CA TYR A 27 9.651 10.072 1.228 1.00 0.00 C ATOM 431 C TYR A 27 9.263 11.512 1.583 1.00 0.00 C ATOM 432 O TYR A 27 8.641 12.182 0.763 1.00 0.00 O ATOM 433 CB TYR A 27 8.631 9.052 1.759 1.00 0.00 C ATOM 434 CG TYR A 27 8.515 7.778 0.933 1.00 0.00 C ATOM 435 CD1 TYR A 27 9.622 6.941 0.683 1.00 0.00 C ATOM 436 CD2 TYR A 27 7.263 7.430 0.402 1.00 0.00 C ATOM 437 CE1 TYR A 27 9.468 5.781 -0.103 1.00 0.00 C ATOM 438 CE2 TYR A 27 7.101 6.255 -0.356 1.00 0.00 C ATOM 439 CZ TYR A 27 8.203 5.427 -0.615 1.00 0.00 C ATOM 440 OH TYR A 27 8.037 4.310 -1.367 1.00 0.00 O ATOM 0 H TYR A 27 10.969 9.186 2.582 1.00 0.00 H new ATOM 0 HA TYR A 27 9.656 10.032 0.139 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.904 8.783 2.780 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.652 9.529 1.806 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.589 7.189 1.094 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.413 8.072 0.577 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.325 5.159 -0.314 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.126 5.991 -0.739 1.00 0.00 H new ATOM 0 HH TYR A 27 8.846 4.149 -1.896 1.00 0.00 H new ATOM 450 N ASP A 28 9.690 12.037 2.734 1.00 0.00 N ATOM 451 CA ASP A 28 9.577 13.466 3.039 1.00 0.00 C ATOM 452 C ASP A 28 10.405 14.306 2.053 1.00 0.00 C ATOM 453 O ASP A 28 9.937 15.354 1.626 1.00 0.00 O ATOM 454 CB ASP A 28 9.979 13.718 4.499 1.00 0.00 C ATOM 455 CG ASP A 28 9.746 15.164 4.954 1.00 0.00 C ATOM 456 OD1 ASP A 28 8.703 15.774 4.616 1.00 0.00 O ATOM 457 OD2 ASP A 28 10.569 15.683 5.744 1.00 0.00 O ATOM 0 H ASP A 28 10.121 11.488 3.477 1.00 0.00 H new ATOM 0 HA ASP A 28 8.540 13.779 2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.414 13.046 5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.033 13.470 4.626 1.00 0.00 H new ATOM 463 N GLN A 29 11.564 13.819 1.582 1.00 0.00 N ATOM 464 CA GLN A 29 12.357 14.529 0.565 1.00 0.00 C ATOM 465 C GLN A 29 11.731 14.523 -0.843 1.00 0.00 C ATOM 466 O GLN A 29 12.056 15.399 -1.647 1.00 0.00 O ATOM 467 CB GLN A 29 13.814 14.040 0.528 1.00 0.00 C ATOM 468 CG GLN A 29 14.663 14.238 1.800 1.00 0.00 C ATOM 469 CD GLN A 29 14.095 15.217 2.827 1.00 0.00 C ATOM 470 OE1 GLN A 29 14.078 16.428 2.638 1.00 0.00 O ATOM 471 NE2 GLN A 29 13.591 14.727 3.937 1.00 0.00 N ATOM 0 H GLN A 29 11.973 12.936 1.889 1.00 0.00 H new ATOM 0 HA GLN A 29 12.353 15.571 0.885 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.806 12.976 0.291 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.318 14.546 -0.295 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.794 13.269 2.282 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.653 14.584 1.504 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.602 13.720 4.101 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.189 15.353 4.635 1.00 0.00 H new ATOM 480 N LEU A 30 10.772 13.630 -1.141 1.00 0.00 N ATOM 481 CA LEU A 30 9.874 13.835 -2.296 1.00 0.00 C ATOM 482 C LEU A 30 9.094 15.147 -2.147 1.00 0.00 C ATOM 483 O LEU A 30 9.019 15.932 -3.091 1.00 0.00 O ATOM 484 CB LEU A 30 8.856 12.690 -2.476 1.00 0.00 C ATOM 485 CG LEU A 30 9.445 11.287 -2.662 1.00 0.00 C ATOM 486 CD1 LEU A 30 8.340 10.238 -2.549 1.00 0.00 C ATOM 487 CD2 LEU A 30 10.083 11.129 -4.041 1.00 0.00 C ATOM 0 H LEU A 30 10.598 12.775 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 30 10.520 13.864 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.200 12.674 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.233 12.918 -3.341 1.00 0.00 H new ATOM 0 HG LEU A 30 10.200 11.150 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.767 9.244 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.875 10.304 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.589 10.416 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.491 10.123 -4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.329 11.293 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.885 11.859 -4.157 1.00 0.00 H new ATOM 499 N ILE A 31 8.533 15.384 -0.958 1.00 0.00 N ATOM 500 CA ILE A 31 7.699 16.556 -0.652 1.00 0.00 C ATOM 501 C ILE A 31 8.561 17.811 -0.436 1.00 0.00 C ATOM 502 O ILE A 31 8.132 18.903 -0.796 1.00 0.00 O ATOM 503 CB ILE A 31 6.742 16.273 0.539 1.00 0.00 C ATOM 504 CG1 ILE A 31 6.040 14.901 0.376 1.00 0.00 C ATOM 505 CG2 ILE A 31 5.691 17.395 0.654 1.00 0.00 C ATOM 506 CD1 ILE A 31 4.982 14.563 1.433 1.00 0.00 C ATOM 0 H ILE A 31 8.647 14.755 -0.163 1.00 0.00 H new ATOM 0 HA ILE A 31 7.066 16.758 -1.516 1.00 0.00 H new ATOM 0 HB ILE A 31 7.336 16.245 1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.568 14.870 -0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.801 14.121 0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.026 17.186 1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.193 18.348 0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.110 17.445 -0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.557 13.582 1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.444 14.553 2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.192 15.314 1.410 1.00 0.00 H new ATOM 518 N THR A 32 9.792 17.696 0.072 1.00 0.00 N ATOM 519 CA THR A 32 10.735 18.829 0.205 1.00 0.00 C ATOM 520 C THR A 32 11.094 19.411 -1.164 1.00 0.00 C ATOM 521 O THR A 32 11.091 20.633 -1.339 1.00 0.00 O ATOM 522 CB THR A 32 12.009 18.415 0.961 1.00 0.00 C ATOM 523 OG1 THR A 32 11.665 17.794 2.180 1.00 0.00 O ATOM 524 CG2 THR A 32 12.899 19.602 1.318 1.00 0.00 C ATOM 0 H THR A 32 10.172 16.811 0.407 1.00 0.00 H new ATOM 0 HA THR A 32 10.232 19.601 0.787 1.00 0.00 H new ATOM 0 HB THR A 32 12.549 17.745 0.291 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.419 17.254 2.497 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.782 19.248 1.850 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.206 20.114 0.406 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.346 20.293 1.954 1.00 0.00 H new ATOM 532 N ALA A 33 11.318 18.547 -2.161 1.00 0.00 N ATOM 533 CA ALA A 33 11.554 18.966 -3.539 1.00 0.00 C ATOM 534 C ALA A 33 10.270 19.432 -4.259 1.00 0.00 C ATOM 535 O ALA A 33 10.349 20.287 -5.140 1.00 0.00 O ATOM 536 CB ALA A 33 12.224 17.802 -4.276 1.00 0.00 C ATOM 0 H ALA A 33 11.340 17.536 -2.030 1.00 0.00 H new ATOM 0 HA ALA A 33 12.206 19.840 -3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.413 18.087 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.168 17.558 -3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.568 16.931 -4.253 1.00 0.00 H new ATOM 542 N GLN A 34 9.094 18.888 -3.907 1.00 0.00 N ATOM 543 CA GLN A 34 7.842 19.037 -4.671 1.00 0.00 C ATOM 544 C GLN A 34 6.597 19.294 -3.773 1.00 0.00 C ATOM 545 O GLN A 34 5.675 18.469 -3.766 1.00 0.00 O ATOM 546 CB GLN A 34 7.647 17.778 -5.544 1.00 0.00 C ATOM 547 CG GLN A 34 8.836 17.291 -6.390 1.00 0.00 C ATOM 548 CD GLN A 34 8.649 15.824 -6.747 1.00 0.00 C ATOM 549 OE1 GLN A 34 8.201 15.450 -7.818 1.00 0.00 O ATOM 550 NE2 GLN A 34 8.926 14.936 -5.817 1.00 0.00 N ATOM 0 H GLN A 34 8.983 18.321 -3.067 1.00 0.00 H new ATOM 0 HA GLN A 34 7.933 19.925 -5.297 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.348 16.961 -4.888 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.812 17.967 -6.219 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.916 17.888 -7.298 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.766 17.424 -5.837 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.301 15.239 -4.918 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.766 13.944 -5.995 1.00 0.00 H new ATOM 559 N PRO A 35 6.519 20.398 -2.996 1.00 0.00 N ATOM 560 CA PRO A 35 5.528 20.538 -1.915 1.00 0.00 C ATOM 561 C PRO A 35 4.051 20.510 -2.334 1.00 0.00 C ATOM 562 O PRO A 35 3.195 20.111 -1.542 1.00 0.00 O ATOM 563 CB PRO A 35 5.843 21.876 -1.241 1.00 0.00 C ATOM 564 CG PRO A 35 7.326 22.097 -1.529 1.00 0.00 C ATOM 565 CD PRO A 35 7.471 21.503 -2.929 1.00 0.00 C ATOM 0 HA PRO A 35 5.624 19.667 -1.267 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.233 22.682 -1.650 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.646 21.839 -0.170 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.593 23.153 -1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 35 7.962 21.591 -0.803 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.257 22.249 -3.694 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.489 21.153 -3.101 1.00 0.00 H new ATOM 573 N GLN A 36 3.740 20.928 -3.564 1.00 0.00 N ATOM 574 CA GLN A 36 2.370 21.030 -4.078 1.00 0.00 C ATOM 575 C GLN A 36 1.994 19.876 -5.032 1.00 0.00 C ATOM 576 O GLN A 36 0.860 19.822 -5.517 1.00 0.00 O ATOM 577 CB GLN A 36 2.165 22.413 -4.733 1.00 0.00 C ATOM 578 CG GLN A 36 1.702 23.503 -3.751 1.00 0.00 C ATOM 579 CD GLN A 36 2.703 23.820 -2.645 1.00 0.00 C ATOM 580 OE1 GLN A 36 3.781 24.354 -2.891 1.00 0.00 O ATOM 581 NE2 GLN A 36 2.383 23.534 -1.399 1.00 0.00 N ATOM 0 H GLN A 36 4.446 21.210 -4.244 1.00 0.00 H new ATOM 0 HA GLN A 36 1.689 20.934 -3.233 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.100 22.728 -5.196 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.429 22.321 -5.532 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.496 24.415 -4.311 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.763 23.190 -3.295 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.488 23.090 -1.191 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.030 23.756 -0.642 1.00 0.00 H new ATOM 590 N ASN A 37 2.911 18.942 -5.321 1.00 0.00 N ATOM 591 CA ASN A 37 2.649 17.838 -6.248 1.00 0.00 C ATOM 592 C ASN A 37 1.944 16.652 -5.557 1.00 0.00 C ATOM 593 O ASN A 37 2.522 16.057 -4.640 1.00 0.00 O ATOM 594 CB ASN A 37 3.952 17.370 -6.910 1.00 0.00 C ATOM 595 CG ASN A 37 4.235 18.079 -8.216 1.00 0.00 C ATOM 596 OD1 ASN A 37 4.950 19.075 -8.277 1.00 0.00 O ATOM 597 ND2 ASN A 37 3.667 17.583 -9.290 1.00 0.00 N ATOM 0 H ASN A 37 3.849 18.932 -4.920 1.00 0.00 H new ATOM 0 HA ASN A 37 1.974 18.216 -7.015 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.783 17.537 -6.224 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.897 16.296 -7.089 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.816 18.026 -10.197 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.076 16.755 -9.218 1.00 0.00 H new ATOM 604 N PRO A 38 0.769 16.200 -6.042 1.00 0.00 N ATOM 605 CA PRO A 38 0.087 15.017 -5.509 1.00 0.00 C ATOM 606 C PRO A 38 0.934 13.733 -5.492 1.00 0.00 C ATOM 607 O PRO A 38 0.672 12.855 -4.671 1.00 0.00 O ATOM 608 CB PRO A 38 -1.166 14.825 -6.361 1.00 0.00 C ATOM 609 CG PRO A 38 -1.056 15.812 -7.524 1.00 0.00 C ATOM 610 CD PRO A 38 -0.046 16.846 -7.063 1.00 0.00 C ATOM 0 HA PRO A 38 -0.139 15.194 -4.457 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.233 13.800 -6.727 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.066 15.014 -5.776 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.724 15.314 -8.435 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.019 16.272 -7.745 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.571 17.184 -7.896 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.548 17.726 -6.660 1.00 0.00 H new ATOM 618 N VAL A 39 1.964 13.612 -6.339 1.00 0.00 N ATOM 619 CA VAL A 39 2.913 12.479 -6.326 1.00 0.00 C ATOM 620 C VAL A 39 3.585 12.280 -4.960 1.00 0.00 C ATOM 621 O VAL A 39 3.724 11.140 -4.518 1.00 0.00 O ATOM 622 CB VAL A 39 3.946 12.631 -7.464 1.00 0.00 C ATOM 623 CG1 VAL A 39 5.188 13.445 -7.092 1.00 0.00 C ATOM 624 CG2 VAL A 39 4.386 11.254 -7.970 1.00 0.00 C ATOM 0 H VAL A 39 2.169 14.302 -7.062 1.00 0.00 H new ATOM 0 HA VAL A 39 2.339 11.570 -6.504 1.00 0.00 H new ATOM 0 HB VAL A 39 3.430 13.190 -8.244 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.858 13.500 -7.950 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.889 14.452 -6.800 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.703 12.964 -6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.114 11.377 -8.772 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.838 10.693 -7.152 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.519 10.711 -8.347 1.00 0.00 H new ATOM 634 N GLY A 40 3.949 13.353 -4.246 1.00 0.00 N ATOM 635 CA GLY A 40 4.623 13.246 -2.948 1.00 0.00 C ATOM 636 C GLY A 40 3.686 12.691 -1.873 1.00 0.00 C ATOM 637 O GLY A 40 4.022 11.716 -1.203 1.00 0.00 O ATOM 0 H GLY A 40 3.786 14.313 -4.550 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.495 12.598 -3.042 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.987 14.228 -2.644 1.00 0.00 H new ATOM 641 N TYR A 41 2.461 13.214 -1.802 1.00 0.00 N ATOM 642 CA TYR A 41 1.393 12.714 -0.926 1.00 0.00 C ATOM 643 C TYR A 41 0.981 11.270 -1.276 1.00 0.00 C ATOM 644 O TYR A 41 0.835 10.432 -0.385 1.00 0.00 O ATOM 645 CB TYR A 41 0.201 13.679 -1.011 1.00 0.00 C ATOM 646 CG TYR A 41 0.546 15.103 -0.603 1.00 0.00 C ATOM 647 CD1 TYR A 41 0.547 15.470 0.757 1.00 0.00 C ATOM 648 CD2 TYR A 41 0.914 16.050 -1.580 1.00 0.00 C ATOM 649 CE1 TYR A 41 0.914 16.777 1.135 1.00 0.00 C ATOM 650 CE2 TYR A 41 1.306 17.348 -1.202 1.00 0.00 C ATOM 651 CZ TYR A 41 1.309 17.718 0.158 1.00 0.00 C ATOM 652 OH TYR A 41 1.711 18.963 0.532 1.00 0.00 O ATOM 0 H TYR A 41 2.174 14.016 -2.364 1.00 0.00 H new ATOM 0 HA TYR A 41 1.762 12.677 0.099 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.181 13.684 -2.032 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.602 13.310 -0.372 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.266 14.749 1.511 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.895 15.778 -2.625 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.893 17.061 2.177 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.605 18.062 -1.955 1.00 0.00 H new ATOM 0 HH TYR A 41 2.238 19.367 -0.189 1.00 0.00 H new ATOM 662 N SER A 42 0.895 10.939 -2.571 1.00 0.00 N ATOM 663 CA SER A 42 0.627 9.574 -3.063 1.00 0.00 C ATOM 664 C SER A 42 1.673 8.565 -2.595 1.00 0.00 C ATOM 665 O SER A 42 1.345 7.406 -2.332 1.00 0.00 O ATOM 666 CB SER A 42 0.607 9.525 -4.598 1.00 0.00 C ATOM 667 OG SER A 42 -0.349 10.405 -5.139 1.00 0.00 O ATOM 0 H SER A 42 1.011 11.620 -3.321 1.00 0.00 H new ATOM 0 HA SER A 42 -0.347 9.309 -2.653 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.594 9.781 -4.982 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.391 8.508 -4.926 1.00 0.00 H new ATOM 0 HG SER A 42 -0.165 11.317 -4.832 1.00 0.00 H new ATOM 673 N ASN A 43 2.928 9.002 -2.480 1.00 0.00 N ATOM 674 CA ASN A 43 4.023 8.193 -1.965 1.00 0.00 C ATOM 675 C ASN A 43 4.031 8.176 -0.429 1.00 0.00 C ATOM 676 O ASN A 43 4.138 7.099 0.146 1.00 0.00 O ATOM 677 CB ASN A 43 5.341 8.668 -2.594 1.00 0.00 C ATOM 678 CG ASN A 43 5.525 8.069 -3.975 1.00 0.00 C ATOM 679 OD1 ASN A 43 6.126 7.024 -4.136 1.00 0.00 O ATOM 680 ND2 ASN A 43 4.979 8.682 -4.997 1.00 0.00 N ATOM 0 H ASN A 43 3.212 9.944 -2.748 1.00 0.00 H new ATOM 0 HA ASN A 43 3.887 7.151 -2.254 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.346 9.756 -2.661 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.177 8.384 -1.955 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.057 8.283 -5.932 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.476 9.558 -4.857 1.00 0.00 H new ATOM 687 N LYS A 44 3.846 9.298 0.275 1.00 0.00 N ATOM 688 CA LYS A 44 3.795 9.292 1.751 1.00 0.00 C ATOM 689 C LYS A 44 2.653 8.411 2.290 1.00 0.00 C ATOM 690 O LYS A 44 2.865 7.675 3.252 1.00 0.00 O ATOM 691 CB LYS A 44 3.763 10.733 2.276 1.00 0.00 C ATOM 692 CG LYS A 44 3.936 10.776 3.803 1.00 0.00 C ATOM 693 CD LYS A 44 4.038 12.215 4.322 1.00 0.00 C ATOM 694 CE LYS A 44 4.119 12.205 5.850 1.00 0.00 C ATOM 695 NZ LYS A 44 4.184 13.574 6.399 1.00 0.00 N ATOM 0 H LYS A 44 3.729 10.220 -0.146 1.00 0.00 H new ATOM 0 HA LYS A 44 4.704 8.828 2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.555 11.313 1.802 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.818 11.201 2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.092 10.276 4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.833 10.224 4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.919 12.701 3.904 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.172 12.792 3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.249 11.690 6.258 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.999 11.644 6.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.238 13.530 7.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.027 14.057 6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.332 14.101 6.119 1.00 0.00 H new ATOM 709 N ALA A 45 1.511 8.347 1.603 1.00 0.00 N ATOM 710 CA ALA A 45 0.464 7.365 1.901 1.00 0.00 C ATOM 711 C ALA A 45 0.923 5.901 1.689 1.00 0.00 C ATOM 712 O ALA A 45 0.538 5.025 2.465 1.00 0.00 O ATOM 713 CB ALA A 45 -0.769 7.713 1.060 1.00 0.00 C ATOM 0 H ALA A 45 1.285 8.971 0.828 1.00 0.00 H new ATOM 0 HA ALA A 45 0.218 7.423 2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.563 6.995 1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.112 8.716 1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.510 7.676 0.002 1.00 0.00 H new ATOM 719 N MET A 46 1.790 5.630 0.701 1.00 0.00 N ATOM 720 CA MET A 46 2.427 4.316 0.492 1.00 0.00 C ATOM 721 C MET A 46 3.379 3.958 1.639 1.00 0.00 C ATOM 722 O MET A 46 3.312 2.845 2.150 1.00 0.00 O ATOM 723 CB MET A 46 3.164 4.284 -0.861 1.00 0.00 C ATOM 724 CG MET A 46 3.559 2.898 -1.376 1.00 0.00 C ATOM 725 SD MET A 46 2.207 1.705 -1.508 1.00 0.00 S ATOM 726 CE MET A 46 2.784 0.739 -2.933 1.00 0.00 C ATOM 0 H MET A 46 2.074 6.327 0.013 1.00 0.00 H new ATOM 0 HA MET A 46 1.638 3.564 0.478 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.531 4.761 -1.609 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.067 4.889 -0.775 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.018 3.011 -2.358 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.321 2.486 -0.714 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.063 -0.048 -3.155 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.885 1.393 -3.799 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.750 0.291 -2.702 1.00 0.00 H new ATOM 736 N ALA A 47 4.209 4.904 2.093 1.00 0.00 N ATOM 737 CA ALA A 47 5.089 4.737 3.254 1.00 0.00 C ATOM 738 C ALA A 47 4.302 4.403 4.532 1.00 0.00 C ATOM 739 O ALA A 47 4.639 3.450 5.231 1.00 0.00 O ATOM 740 CB ALA A 47 5.926 6.011 3.431 1.00 0.00 C ATOM 0 H ALA A 47 4.289 5.822 1.656 1.00 0.00 H new ATOM 0 HA ALA A 47 5.750 3.889 3.073 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.584 5.897 4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.525 6.180 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.264 6.862 3.590 1.00 0.00 H new ATOM 746 N LEU A 48 3.208 5.122 4.801 1.00 0.00 N ATOM 747 CA LEU A 48 2.368 4.893 5.982 1.00 0.00 C ATOM 748 C LEU A 48 1.763 3.475 6.015 1.00 0.00 C ATOM 749 O LEU A 48 1.724 2.871 7.089 1.00 0.00 O ATOM 750 CB LEU A 48 1.298 5.999 6.056 1.00 0.00 C ATOM 751 CG LEU A 48 1.869 7.384 6.437 1.00 0.00 C ATOM 752 CD1 LEU A 48 0.845 8.478 6.133 1.00 0.00 C ATOM 753 CD2 LEU A 48 2.244 7.461 7.920 1.00 0.00 C ATOM 0 H LEU A 48 2.879 5.881 4.205 1.00 0.00 H new ATOM 0 HA LEU A 48 2.992 4.948 6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.797 6.074 5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.541 5.713 6.787 1.00 0.00 H new ATOM 0 HG LEU A 48 2.771 7.532 5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.258 9.449 6.405 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.609 8.470 5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.063 8.296 6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.641 8.451 8.144 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.359 7.279 8.529 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.000 6.708 8.144 1.00 0.00 H new ATOM 765 N ILE A 49 1.389 2.897 4.862 1.00 0.00 N ATOM 766 CA ILE A 49 0.929 1.491 4.777 1.00 0.00 C ATOM 767 C ILE A 49 2.061 0.457 4.666 1.00 0.00 C ATOM 768 O ILE A 49 1.823 -0.727 4.914 1.00 0.00 O ATOM 769 CB ILE A 49 -0.129 1.273 3.674 1.00 0.00 C ATOM 770 CG1 ILE A 49 0.422 1.398 2.238 1.00 0.00 C ATOM 771 CG2 ILE A 49 -1.301 2.238 3.883 1.00 0.00 C ATOM 772 CD1 ILE A 49 -0.578 0.954 1.161 1.00 0.00 C ATOM 0 H ILE A 49 1.395 3.383 3.965 1.00 0.00 H new ATOM 0 HA ILE A 49 0.451 1.313 5.740 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.465 0.241 3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.706 2.434 2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.328 0.799 2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.045 2.081 3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.753 2.055 4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.939 3.265 3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.126 1.068 0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.844 -0.091 1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.475 1.570 1.222 1.00 0.00 H new ATOM 784 N LYS A 50 3.286 0.864 4.307 1.00 0.00 N ATOM 785 CA LYS A 50 4.507 0.032 4.360 1.00 0.00 C ATOM 786 C LYS A 50 5.080 -0.064 5.787 1.00 0.00 C ATOM 787 O LYS A 50 5.781 -1.027 6.106 1.00 0.00 O ATOM 788 CB LYS A 50 5.541 0.587 3.346 1.00 0.00 C ATOM 789 CG LYS A 50 5.987 -0.322 2.189 1.00 0.00 C ATOM 790 CD LYS A 50 4.949 -1.190 1.450 1.00 0.00 C ATOM 791 CE LYS A 50 3.939 -0.390 0.625 1.00 0.00 C ATOM 792 NZ LYS A 50 2.955 -1.304 -0.008 1.00 0.00 N ATOM 0 H LYS A 50 3.465 1.807 3.961 1.00 0.00 H new ATOM 0 HA LYS A 50 4.254 -0.990 4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.126 1.497 2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.432 0.876 3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.469 0.312 1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.752 -0.993 2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.473 -1.882 0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.409 -1.793 2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.422 0.326 1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.459 0.184 -0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.371 -0.771 -0.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.459 -2.063 -0.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.345 -1.719 0.725 1.00 0.00 H new ATOM 806 N LEU A 51 4.734 0.892 6.654 1.00 0.00 N ATOM 807 CA LEU A 51 5.028 0.910 8.088 1.00 0.00 C ATOM 808 C LEU A 51 3.907 0.186 8.852 1.00 0.00 C ATOM 809 O LEU A 51 4.135 -0.875 9.436 1.00 0.00 O ATOM 810 CB LEU A 51 5.224 2.383 8.512 1.00 0.00 C ATOM 811 CG LEU A 51 5.989 2.605 9.830 1.00 0.00 C ATOM 812 CD1 LEU A 51 6.169 4.105 10.065 1.00 0.00 C ATOM 813 CD2 LEU A 51 5.288 2.022 11.056 1.00 0.00 C ATOM 0 H LEU A 51 4.214 1.718 6.358 1.00 0.00 H new ATOM 0 HA LEU A 51 5.946 0.373 8.326 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.754 2.904 7.714 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.243 2.850 8.600 1.00 0.00 H new ATOM 0 HG LEU A 51 6.941 2.087 9.716 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.710 4.265 10.998 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.734 4.538 9.239 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.192 4.584 10.126 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.887 2.218 11.945 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.308 2.485 11.169 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.168 0.946 10.929 1.00 0.00 H new ATOM 825 N GLY A 52 2.684 0.722 8.785 1.00 0.00 N ATOM 826 CA GLY A 52 1.501 0.160 9.443 1.00 0.00 C ATOM 827 C GLY A 52 0.564 1.165 10.133 1.00 0.00 C ATOM 828 O GLY A 52 -0.272 0.757 10.940 1.00 0.00 O ATOM 0 H GLY A 52 2.485 1.575 8.262 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.925 -0.390 8.699 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.834 -0.563 10.187 1.00 0.00 H new ATOM 832 N GLU A 53 0.673 2.464 9.845 1.00 0.00 N ATOM 833 CA GLU A 53 -0.217 3.515 10.374 1.00 0.00 C ATOM 834 C GLU A 53 -1.330 3.813 9.353 1.00 0.00 C ATOM 835 O GLU A 53 -1.464 4.913 8.813 1.00 0.00 O ATOM 836 CB GLU A 53 0.570 4.754 10.842 1.00 0.00 C ATOM 837 CG GLU A 53 1.670 4.492 11.885 1.00 0.00 C ATOM 838 CD GLU A 53 1.121 4.047 13.249 1.00 0.00 C ATOM 839 OE1 GLU A 53 0.918 4.897 14.154 1.00 0.00 O ATOM 840 OE2 GLU A 53 0.910 2.827 13.451 1.00 0.00 O ATOM 0 H GLU A 53 1.396 2.828 9.225 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.709 3.156 11.278 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.026 5.222 9.970 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.135 5.474 11.258 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.346 3.725 11.505 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.259 5.399 12.017 1.00 0.00 H new ATOM 848 N TYR A 54 -2.110 2.775 9.039 1.00 0.00 N ATOM 849 CA TYR A 54 -3.134 2.790 7.988 1.00 0.00 C ATOM 850 C TYR A 54 -4.221 3.861 8.204 1.00 0.00 C ATOM 851 O TYR A 54 -4.706 4.430 7.228 1.00 0.00 O ATOM 852 CB TYR A 54 -3.761 1.392 7.853 1.00 0.00 C ATOM 853 CG TYR A 54 -2.762 0.250 7.769 1.00 0.00 C ATOM 854 CD1 TYR A 54 -2.238 -0.143 6.523 1.00 0.00 C ATOM 855 CD2 TYR A 54 -2.390 -0.446 8.938 1.00 0.00 C ATOM 856 CE1 TYR A 54 -1.318 -1.204 6.450 1.00 0.00 C ATOM 857 CE2 TYR A 54 -1.498 -1.534 8.860 1.00 0.00 C ATOM 858 CZ TYR A 54 -0.955 -1.911 7.613 1.00 0.00 C ATOM 859 OH TYR A 54 -0.075 -2.939 7.515 1.00 0.00 O ATOM 0 H TYR A 54 -2.046 1.878 9.520 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.632 3.061 7.059 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.417 1.220 8.706 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.387 1.375 6.961 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.543 0.370 5.623 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.790 -0.144 9.895 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.888 -1.478 5.498 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.230 -2.079 9.753 1.00 0.00 H new ATOM 0 HH TYR A 54 0.076 -3.326 8.403 1.00 0.00 H new ATOM 869 N THR A 55 -4.541 4.217 9.454 1.00 0.00 N ATOM 870 CA THR A 55 -5.480 5.311 9.775 1.00 0.00 C ATOM 871 C THR A 55 -4.896 6.694 9.441 1.00 0.00 C ATOM 872 O THR A 55 -5.645 7.640 9.197 1.00 0.00 O ATOM 873 CB THR A 55 -5.947 5.220 11.239 1.00 0.00 C ATOM 874 OG1 THR A 55 -6.587 3.976 11.443 1.00 0.00 O ATOM 875 CG2 THR A 55 -6.967 6.284 11.647 1.00 0.00 C ATOM 0 H THR A 55 -4.157 3.755 10.278 1.00 0.00 H new ATOM 0 HA THR A 55 -6.357 5.189 9.139 1.00 0.00 H new ATOM 0 HB THR A 55 -5.045 5.358 11.836 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.886 3.911 12.374 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.240 6.144 12.693 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.532 7.275 11.515 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.857 6.192 11.025 1.00 0.00 H new ATOM 883 N GLN A 56 -3.568 6.833 9.321 1.00 0.00 N ATOM 884 CA GLN A 56 -2.969 8.037 8.722 1.00 0.00 C ATOM 885 C GLN A 56 -3.030 8.012 7.189 1.00 0.00 C ATOM 886 O GLN A 56 -3.220 9.056 6.561 1.00 0.00 O ATOM 887 CB GLN A 56 -1.518 8.238 9.192 1.00 0.00 C ATOM 888 CG GLN A 56 -1.307 8.122 10.707 1.00 0.00 C ATOM 889 CD GLN A 56 -2.361 8.805 11.563 1.00 0.00 C ATOM 890 OE1 GLN A 56 -2.878 9.876 11.262 1.00 0.00 O ATOM 891 NE2 GLN A 56 -2.765 8.166 12.633 1.00 0.00 N ATOM 0 H GLN A 56 -2.892 6.134 9.628 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.565 8.882 9.066 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.885 7.503 8.695 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.179 9.222 8.867 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.275 7.065 10.973 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.333 8.543 10.955 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.338 7.275 12.887 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.507 8.559 13.212 1.00 0.00 H new ATOM 900 N ALA A 57 -2.907 6.829 6.582 1.00 0.00 N ATOM 901 CA ALA A 57 -2.901 6.664 5.131 1.00 0.00 C ATOM 902 C ALA A 57 -4.276 6.909 4.483 1.00 0.00 C ATOM 903 O ALA A 57 -4.340 7.635 3.494 1.00 0.00 O ATOM 904 CB ALA A 57 -2.370 5.273 4.790 1.00 0.00 C ATOM 0 H ALA A 57 -2.808 5.951 7.092 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.244 7.427 4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.362 5.142 3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.356 5.166 5.176 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.012 4.517 5.243 1.00 0.00 H new ATOM 910 N ILE A 58 -5.370 6.364 5.034 1.00 0.00 N ATOM 911 CA ILE A 58 -6.738 6.582 4.508 1.00 0.00 C ATOM 912 C ILE A 58 -7.121 8.069 4.510 1.00 0.00 C ATOM 913 O ILE A 58 -7.639 8.579 3.514 1.00 0.00 O ATOM 914 CB ILE A 58 -7.778 5.712 5.263 1.00 0.00 C ATOM 915 CG1 ILE A 58 -7.882 6.045 6.769 1.00 0.00 C ATOM 916 CG2 ILE A 58 -7.462 4.224 5.019 1.00 0.00 C ATOM 917 CD1 ILE A 58 -8.815 5.125 7.570 1.00 0.00 C ATOM 0 H ILE A 58 -5.339 5.760 5.855 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.743 6.260 3.467 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.764 5.944 4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.885 5.998 7.207 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.229 7.073 6.876 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.189 3.606 5.547 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.513 4.012 3.951 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.461 4.000 5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.823 5.436 8.615 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -9.825 5.189 7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.460 4.097 7.500 1.00 0.00 H new ATOM 929 N GLN A 59 -6.747 8.788 5.574 1.00 0.00 N ATOM 930 CA GLN A 59 -6.904 10.237 5.690 1.00 0.00 C ATOM 931 C GLN A 59 -6.069 10.966 4.627 1.00 0.00 C ATOM 932 O GLN A 59 -6.591 11.794 3.881 1.00 0.00 O ATOM 933 CB GLN A 59 -6.542 10.630 7.128 1.00 0.00 C ATOM 934 CG GLN A 59 -6.787 12.108 7.457 1.00 0.00 C ATOM 935 CD GLN A 59 -5.730 13.055 6.895 1.00 0.00 C ATOM 936 OE1 GLN A 59 -4.533 12.863 7.055 1.00 0.00 O ATOM 937 NE2 GLN A 59 -6.122 14.093 6.197 1.00 0.00 N ATOM 0 H GLN A 59 -6.317 8.366 6.397 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.933 10.539 5.497 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.121 10.015 7.817 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.491 10.400 7.302 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.763 12.399 7.069 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.827 12.226 8.540 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.117 14.266 6.055 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.432 14.728 5.796 1.00 0.00 H new ATOM 946 N MET A 60 -4.789 10.607 4.493 1.00 0.00 N ATOM 947 CA MET A 60 -3.873 11.233 3.535 1.00 0.00 C ATOM 948 C MET A 60 -4.252 10.966 2.068 1.00 0.00 C ATOM 949 O MET A 60 -4.014 11.815 1.211 1.00 0.00 O ATOM 950 CB MET A 60 -2.445 10.797 3.869 1.00 0.00 C ATOM 951 CG MET A 60 -1.393 11.529 3.024 1.00 0.00 C ATOM 952 SD MET A 60 0.315 11.223 3.543 1.00 0.00 S ATOM 953 CE MET A 60 0.337 12.145 5.106 1.00 0.00 C ATOM 0 H MET A 60 -4.357 9.870 5.049 1.00 0.00 H new ATOM 0 HA MET A 60 -3.949 12.316 3.635 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.250 10.982 4.925 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.350 9.723 3.710 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.505 11.227 1.983 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.588 12.600 3.068 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.330 12.565 5.267 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.395 12.951 5.063 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.090 11.473 5.928 1.00 0.00 H new ATOM 963 N CYS A 61 -4.910 9.842 1.764 1.00 0.00 N ATOM 964 CA CYS A 61 -5.464 9.588 0.433 1.00 0.00 C ATOM 965 C CYS A 61 -6.578 10.586 0.090 1.00 0.00 C ATOM 966 O CYS A 61 -6.549 11.206 -0.971 1.00 0.00 O ATOM 967 CB CYS A 61 -5.964 8.141 0.328 1.00 0.00 C ATOM 968 SG CYS A 61 -4.574 6.983 0.454 1.00 0.00 S ATOM 0 H CYS A 61 -5.072 9.087 2.431 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.667 9.729 -0.297 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.686 7.940 1.120 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.482 7.996 -0.620 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.140 6.957 1.679 1.00 0.00 H new ATOM 974 N GLN A 62 -7.518 10.807 1.011 1.00 0.00 N ATOM 975 CA GLN A 62 -8.604 11.777 0.826 1.00 0.00 C ATOM 976 C GLN A 62 -8.084 13.221 0.809 1.00 0.00 C ATOM 977 O GLN A 62 -8.535 14.015 -0.019 1.00 0.00 O ATOM 978 CB GLN A 62 -9.674 11.530 1.901 1.00 0.00 C ATOM 979 CG GLN A 62 -10.384 10.177 1.677 1.00 0.00 C ATOM 980 CD GLN A 62 -11.354 9.788 2.788 1.00 0.00 C ATOM 981 OE1 GLN A 62 -11.400 10.376 3.862 1.00 0.00 O ATOM 982 NE2 GLN A 62 -12.173 8.784 2.576 1.00 0.00 N ATOM 0 H GLN A 62 -7.550 10.320 1.907 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.063 11.634 -0.152 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.212 11.543 2.888 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.407 12.337 1.881 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.927 10.217 0.733 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.630 9.396 1.578 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.148 8.284 1.687 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.835 8.504 3.300 1.00 0.00 H new ATOM 991 N GLN A 63 -7.065 13.546 1.611 1.00 0.00 N ATOM 992 CA GLN A 63 -6.303 14.795 1.489 1.00 0.00 C ATOM 993 C GLN A 63 -5.621 14.940 0.114 1.00 0.00 C ATOM 994 O GLN A 63 -5.545 16.050 -0.404 1.00 0.00 O ATOM 995 CB GLN A 63 -5.305 14.865 2.658 1.00 0.00 C ATOM 996 CG GLN A 63 -4.323 16.049 2.653 1.00 0.00 C ATOM 997 CD GLN A 63 -2.938 15.669 2.125 1.00 0.00 C ATOM 998 OE1 GLN A 63 -2.031 15.332 2.876 1.00 0.00 O ATOM 999 NE2 GLN A 63 -2.726 15.662 0.825 1.00 0.00 N ATOM 0 H GLN A 63 -6.742 12.945 2.370 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.985 15.643 1.547 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.872 14.896 3.589 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.726 13.942 2.668 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.733 16.852 2.040 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.226 16.439 3.666 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.470 15.940 0.185 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.817 15.379 0.458 1.00 0.00 H new ATOM 1008 N GLY A 64 -5.135 13.863 -0.512 1.00 0.00 N ATOM 1009 CA GLY A 64 -4.530 13.913 -1.852 1.00 0.00 C ATOM 1010 C GLY A 64 -5.531 14.112 -2.991 1.00 0.00 C ATOM 1011 O GLY A 64 -5.196 14.756 -3.980 1.00 0.00 O ATOM 0 H GLY A 64 -5.149 12.928 -0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.802 14.724 -1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.982 12.987 -2.024 1.00 0.00 H new ATOM 1015 N LEU A 65 -6.785 13.667 -2.848 1.00 0.00 N ATOM 1016 CA LEU A 65 -7.829 13.913 -3.859 1.00 0.00 C ATOM 1017 C LEU A 65 -8.140 15.412 -4.040 1.00 0.00 C ATOM 1018 O LEU A 65 -8.473 15.838 -5.150 1.00 0.00 O ATOM 1019 CB LEU A 65 -9.090 13.098 -3.517 1.00 0.00 C ATOM 1020 CG LEU A 65 -8.893 11.572 -3.616 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -10.138 10.853 -3.103 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -8.623 11.108 -5.051 1.00 0.00 C ATOM 0 H LEU A 65 -7.105 13.133 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.448 13.576 -4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.409 13.348 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.896 13.395 -4.188 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.023 11.327 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.992 9.775 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.313 11.126 -2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.000 11.144 -3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.492 10.026 -5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.466 11.379 -5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.718 11.588 -5.425 1.00 0.00 H new ATOM 1034 N ARG A 66 -7.905 16.234 -3.006 1.00 0.00 N ATOM 1035 CA ARG A 66 -7.988 17.714 -3.057 1.00 0.00 C ATOM 1036 C ARG A 66 -7.040 18.372 -4.082 1.00 0.00 C ATOM 1037 O ARG A 66 -7.265 19.518 -4.474 1.00 0.00 O ATOM 1038 CB ARG A 66 -7.720 18.314 -1.660 1.00 0.00 C ATOM 1039 CG ARG A 66 -8.591 17.717 -0.541 1.00 0.00 C ATOM 1040 CD ARG A 66 -8.282 18.371 0.812 1.00 0.00 C ATOM 1041 NE ARG A 66 -8.977 17.677 1.912 1.00 0.00 N ATOM 1042 CZ ARG A 66 -8.836 17.908 3.202 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -8.041 18.823 3.672 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -9.490 17.217 4.089 1.00 0.00 N ATOM 0 H ARG A 66 -7.645 15.885 -2.084 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.003 17.934 -3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.670 18.164 -1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.887 19.390 -1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.645 17.857 -0.783 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.418 16.643 -0.476 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.207 18.354 0.990 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.585 19.418 0.790 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.634 16.943 1.647 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.493 19.399 3.033 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.966 18.965 4.679 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.128 16.479 3.791 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.365 17.413 5.082 1.00 0.00 H new ATOM 1058 N TYR A 67 -6.023 17.651 -4.561 1.00 0.00 N ATOM 1059 CA TYR A 67 -4.984 18.124 -5.491 1.00 0.00 C ATOM 1060 C TYR A 67 -5.274 17.796 -6.980 1.00 0.00 C ATOM 1061 O TYR A 67 -4.361 17.861 -7.807 1.00 0.00 O ATOM 1062 CB TYR A 67 -3.623 17.561 -5.021 1.00 0.00 C ATOM 1063 CG TYR A 67 -3.084 18.144 -3.724 1.00 0.00 C ATOM 1064 CD1 TYR A 67 -3.603 17.739 -2.478 1.00 0.00 C ATOM 1065 CD2 TYR A 67 -2.050 19.098 -3.767 1.00 0.00 C ATOM 1066 CE1 TYR A 67 -3.119 18.317 -1.287 1.00 0.00 C ATOM 1067 CE2 TYR A 67 -1.541 19.653 -2.579 1.00 0.00 C ATOM 1068 CZ TYR A 67 -2.082 19.273 -1.333 1.00 0.00 C ATOM 1069 OH TYR A 67 -1.609 19.837 -0.187 1.00 0.00 O ATOM 0 H TYR A 67 -5.892 16.674 -4.301 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.969 19.214 -5.462 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.718 16.482 -4.902 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.888 17.731 -5.808 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.374 16.984 -2.436 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.644 19.406 -4.719 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.543 18.027 -0.337 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.735 20.371 -2.621 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.785 19.382 0.085 1.00 0.00 H new ATOM 1079 N THR A 68 -6.510 17.392 -7.324 1.00 0.00 N ATOM 1080 CA THR A 68 -6.853 16.740 -8.611 1.00 0.00 C ATOM 1081 C THR A 68 -7.944 17.502 -9.410 1.00 0.00 C ATOM 1082 O THR A 68 -7.765 18.690 -9.683 1.00 0.00 O ATOM 1083 CB THR A 68 -7.086 15.219 -8.414 1.00 0.00 C ATOM 1084 OG1 THR A 68 -8.329 14.934 -7.801 1.00 0.00 O ATOM 1085 CG2 THR A 68 -6.028 14.567 -7.522 1.00 0.00 C ATOM 0 H THR A 68 -7.315 17.509 -6.709 1.00 0.00 H new ATOM 0 HA THR A 68 -5.992 16.809 -9.276 1.00 0.00 H new ATOM 0 HB THR A 68 -7.044 14.817 -9.426 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.324 15.269 -6.880 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.243 13.503 -7.421 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.043 14.697 -7.971 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.043 15.036 -6.538 1.00 0.00 H new ATOM 1093 N SER A 69 -9.051 16.863 -9.821 1.00 0.00 N ATOM 1094 CA SER A 69 -10.165 17.431 -10.623 1.00 0.00 C ATOM 1095 C SER A 69 -9.784 18.062 -11.982 1.00 0.00 C ATOM 1096 O SER A 69 -10.479 18.952 -12.480 1.00 0.00 O ATOM 1097 CB SER A 69 -11.058 18.367 -9.789 1.00 0.00 C ATOM 1098 OG SER A 69 -11.730 17.661 -8.760 1.00 0.00 O ATOM 0 H SER A 69 -9.209 15.881 -9.594 1.00 0.00 H new ATOM 0 HA SER A 69 -10.743 16.551 -10.904 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.449 19.158 -9.352 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.789 18.849 -10.438 1.00 0.00 H new ATOM 0 HG SER A 69 -12.288 18.283 -8.247 1.00 0.00 H new ATOM 1104 N THR A 70 -8.694 17.615 -12.617 1.00 0.00 N ATOM 1105 CA THR A 70 -8.285 18.057 -13.967 1.00 0.00 C ATOM 1106 C THR A 70 -7.536 16.966 -14.758 1.00 0.00 C ATOM 1107 O THR A 70 -6.925 16.063 -14.177 1.00 0.00 O ATOM 1108 CB THR A 70 -7.484 19.369 -13.886 1.00 0.00 C ATOM 1109 OG1 THR A 70 -7.171 19.831 -15.180 1.00 0.00 O ATOM 1110 CG2 THR A 70 -6.174 19.243 -13.114 1.00 0.00 C ATOM 0 H THR A 70 -8.060 16.928 -12.208 1.00 0.00 H new ATOM 0 HA THR A 70 -9.196 18.250 -14.533 1.00 0.00 H new ATOM 0 HB THR A 70 -8.128 20.067 -13.351 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.663 20.667 -15.115 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.666 20.207 -13.100 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.383 18.928 -12.092 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.536 18.504 -13.598 1.00 0.00 H new ATOM 1118 N ALA A 71 -7.590 17.037 -16.092 1.00 0.00 N ATOM 1119 CA ALA A 71 -7.180 15.974 -17.019 1.00 0.00 C ATOM 1120 C ALA A 71 -5.701 15.538 -16.912 1.00 0.00 C ATOM 1121 O ALA A 71 -5.391 14.380 -17.185 1.00 0.00 O ATOM 1122 CB ALA A 71 -7.508 16.452 -18.439 1.00 0.00 C ATOM 0 H ALA A 71 -7.933 17.867 -16.575 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.734 15.075 -16.750 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.216 15.686 -19.157 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.579 16.638 -18.522 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.962 17.372 -18.648 1.00 0.00 H new ATOM 1128 N GLU A 72 -4.794 16.422 -16.483 1.00 0.00 N ATOM 1129 CA GLU A 72 -3.358 16.125 -16.313 1.00 0.00 C ATOM 1130 C GLU A 72 -3.002 15.324 -15.043 1.00 0.00 C ATOM 1131 O GLU A 72 -1.843 14.938 -14.873 1.00 0.00 O ATOM 1132 CB GLU A 72 -2.558 17.438 -16.366 1.00 0.00 C ATOM 1133 CG GLU A 72 -2.674 18.266 -15.080 1.00 0.00 C ATOM 1134 CD GLU A 72 -2.258 19.714 -15.322 1.00 0.00 C ATOM 1135 OE1 GLU A 72 -3.036 20.441 -15.987 1.00 0.00 O ATOM 1136 OE2 GLU A 72 -1.173 20.143 -14.850 1.00 0.00 O ATOM 0 H GLU A 72 -5.036 17.382 -16.239 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.086 15.468 -17.139 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.508 17.210 -16.550 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.907 18.035 -17.208 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.701 18.235 -14.715 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.046 17.828 -14.304 1.00 0.00 H new ATOM 1144 N HIS A 73 -3.969 15.088 -14.149 1.00 0.00 N ATOM 1145 CA HIS A 73 -3.779 14.469 -12.828 1.00 0.00 C ATOM 1146 C HIS A 73 -4.656 13.222 -12.606 1.00 0.00 C ATOM 1147 O HIS A 73 -4.682 12.669 -11.507 1.00 0.00 O ATOM 1148 CB HIS A 73 -4.011 15.531 -11.735 1.00 0.00 C ATOM 1149 CG HIS A 73 -2.895 16.533 -11.586 1.00 0.00 C ATOM 1150 ND1 HIS A 73 -1.586 16.254 -11.268 1.00 0.00 N ATOM 1151 CD2 HIS A 73 -2.999 17.895 -11.674 1.00 0.00 C ATOM 1152 CE1 HIS A 73 -0.917 17.412 -11.171 1.00 0.00 C ATOM 1153 NE2 HIS A 73 -1.745 18.448 -11.388 1.00 0.00 N ATOM 0 H HIS A 73 -4.943 15.331 -14.331 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.753 14.106 -12.774 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.934 16.066 -11.957 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.157 15.025 -10.781 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.894 18.447 -11.921 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.137 17.500 -10.950 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.507 19.439 -11.352 1.00 0.00 H new ATOM 1162 N VAL A 74 -5.372 12.737 -13.622 1.00 0.00 N ATOM 1163 CA VAL A 74 -6.338 11.630 -13.465 1.00 0.00 C ATOM 1164 C VAL A 74 -5.686 10.299 -13.060 1.00 0.00 C ATOM 1165 O VAL A 74 -6.311 9.497 -12.364 1.00 0.00 O ATOM 1166 CB VAL A 74 -7.208 11.469 -14.726 1.00 0.00 C ATOM 1167 CG1 VAL A 74 -8.037 12.732 -14.973 1.00 0.00 C ATOM 1168 CG2 VAL A 74 -6.382 11.173 -15.981 1.00 0.00 C ATOM 0 H VAL A 74 -5.305 13.093 -14.575 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.984 11.909 -12.633 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.860 10.616 -14.538 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.645 12.599 -15.868 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.687 12.914 -14.117 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.371 13.584 -15.110 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.047 11.069 -16.838 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.685 11.992 -16.159 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.825 10.247 -15.840 1.00 0.00 H new ATOM 1178 N ALA A 75 -4.413 10.076 -13.404 1.00 0.00 N ATOM 1179 CA ALA A 75 -3.648 8.925 -12.907 1.00 0.00 C ATOM 1180 C ALA A 75 -3.293 9.090 -11.417 1.00 0.00 C ATOM 1181 O ALA A 75 -3.497 8.166 -10.628 1.00 0.00 O ATOM 1182 CB ALA A 75 -2.412 8.714 -13.787 1.00 0.00 C ATOM 0 H ALA A 75 -3.886 10.684 -14.031 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.263 8.028 -12.972 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.844 7.860 -13.418 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.724 8.526 -14.814 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.787 9.606 -13.756 1.00 0.00 H new ATOM 1188 N ILE A 76 -2.881 10.294 -10.997 1.00 0.00 N ATOM 1189 CA ILE A 76 -2.709 10.659 -9.580 1.00 0.00 C ATOM 1190 C ILE A 76 -3.996 10.445 -8.777 1.00 0.00 C ATOM 1191 O ILE A 76 -3.948 9.906 -7.672 1.00 0.00 O ATOM 1192 CB ILE A 76 -2.172 12.112 -9.460 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -0.807 12.148 -8.745 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -3.087 13.096 -8.708 1.00 0.00 C ATOM 1195 CD1 ILE A 76 0.332 11.373 -9.394 1.00 0.00 C ATOM 0 H ILE A 76 -2.654 11.054 -11.639 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.966 9.993 -9.142 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.108 12.436 -10.499 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.499 13.190 -8.654 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.944 11.766 -7.733 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.619 14.080 -8.681 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.047 13.164 -9.220 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.244 12.741 -7.689 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.234 11.480 -8.792 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.063 10.319 -9.460 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.515 11.765 -10.395 1.00 0.00 H new ATOM 1207 N ARG A 77 -5.157 10.795 -9.344 1.00 0.00 N ATOM 1208 CA ARG A 77 -6.457 10.578 -8.706 1.00 0.00 C ATOM 1209 C ARG A 77 -6.647 9.092 -8.407 1.00 0.00 C ATOM 1210 O ARG A 77 -6.934 8.742 -7.264 1.00 0.00 O ATOM 1211 CB ARG A 77 -7.565 11.159 -9.594 1.00 0.00 C ATOM 1212 CG ARG A 77 -8.909 11.202 -8.862 1.00 0.00 C ATOM 1213 CD ARG A 77 -10.020 11.587 -9.840 1.00 0.00 C ATOM 1214 NE ARG A 77 -11.332 11.571 -9.179 1.00 0.00 N ATOM 1215 CZ ARG A 77 -12.127 10.532 -9.019 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -11.799 9.328 -9.384 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -13.288 10.673 -8.467 1.00 0.00 N ATOM 0 H ARG A 77 -5.219 11.238 -10.261 1.00 0.00 H new ATOM 0 HA ARG A 77 -6.505 11.099 -7.750 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.289 12.165 -9.909 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.661 10.557 -10.498 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.123 10.230 -8.419 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.866 11.922 -8.045 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -9.825 12.580 -10.245 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -10.024 10.895 -10.682 1.00 0.00 H new ATOM 0 HE ARG A 77 -11.663 12.460 -8.803 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -10.891 9.155 -9.816 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.450 8.556 -9.239 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -13.594 11.593 -8.152 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -13.897 9.864 -8.347 1.00 0.00 H new ATOM 1231 N SER A 78 -6.373 8.222 -9.382 1.00 0.00 N ATOM 1232 CA SER A 78 -6.411 6.766 -9.212 1.00 0.00 C ATOM 1233 C SER A 78 -5.359 6.228 -8.241 1.00 0.00 C ATOM 1234 O SER A 78 -5.690 5.299 -7.504 1.00 0.00 O ATOM 1235 CB SER A 78 -6.307 6.077 -10.574 1.00 0.00 C ATOM 1236 OG SER A 78 -7.561 6.180 -11.224 1.00 0.00 O ATOM 0 H SER A 78 -6.115 8.512 -10.325 1.00 0.00 H new ATOM 0 HA SER A 78 -7.373 6.531 -8.755 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.528 6.544 -11.177 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.029 5.030 -10.449 1.00 0.00 H new ATOM 0 HG SER A 78 -7.512 5.745 -12.101 1.00 0.00 H new ATOM 1242 N LYS A 79 -4.161 6.832 -8.122 1.00 0.00 N ATOM 1243 CA LYS A 79 -3.237 6.490 -7.023 1.00 0.00 C ATOM 1244 C LYS A 79 -3.918 6.653 -5.664 1.00 0.00 C ATOM 1245 O LYS A 79 -3.883 5.714 -4.878 1.00 0.00 O ATOM 1246 CB LYS A 79 -1.906 7.266 -7.062 1.00 0.00 C ATOM 1247 CG LYS A 79 -1.053 6.941 -8.297 1.00 0.00 C ATOM 1248 CD LYS A 79 0.427 7.301 -8.084 1.00 0.00 C ATOM 1249 CE LYS A 79 1.222 7.050 -9.365 1.00 0.00 C ATOM 1250 NZ LYS A 79 1.513 5.612 -9.577 1.00 0.00 N ATOM 0 H LYS A 79 -3.814 7.547 -8.761 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.978 5.442 -7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.116 8.336 -7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.334 7.038 -6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -1.139 5.879 -8.528 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.439 7.486 -9.158 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.516 8.347 -7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.840 6.706 -7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.662 7.434 -10.218 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.159 7.605 -9.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.053 5.493 -10.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.070 5.249 -8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.620 5.083 -9.645 1.00 0.00 H new ATOM 1264 N LEU A 80 -4.597 7.774 -5.397 1.00 0.00 N ATOM 1265 CA LEU A 80 -5.290 7.957 -4.112 1.00 0.00 C ATOM 1266 C LEU A 80 -6.607 7.156 -3.991 1.00 0.00 C ATOM 1267 O LEU A 80 -6.920 6.718 -2.884 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.442 9.453 -3.742 1.00 0.00 C ATOM 1269 CG LEU A 80 -4.159 10.255 -3.418 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -3.082 9.457 -2.681 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -3.515 10.862 -4.666 1.00 0.00 C ATOM 0 H LEU A 80 -4.683 8.560 -6.042 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.639 7.517 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.948 9.952 -4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.103 9.518 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.520 11.041 -2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.219 10.096 -2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.480 9.099 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.778 8.606 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.619 11.414 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.246 10.066 -5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.221 11.539 -5.147 1.00 0.00 H new ATOM 1283 N GLN A 81 -7.334 6.866 -5.085 1.00 0.00 N ATOM 1284 CA GLN A 81 -8.489 5.942 -5.041 1.00 0.00 C ATOM 1285 C GLN A 81 -8.075 4.532 -4.601 1.00 0.00 C ATOM 1286 O GLN A 81 -8.689 3.953 -3.699 1.00 0.00 O ATOM 1287 CB GLN A 81 -9.188 5.781 -6.411 1.00 0.00 C ATOM 1288 CG GLN A 81 -9.838 7.009 -7.055 1.00 0.00 C ATOM 1289 CD GLN A 81 -10.946 7.640 -6.227 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -11.929 7.012 -5.861 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -10.842 8.907 -5.925 1.00 0.00 N ATOM 0 H GLN A 81 -7.146 7.255 -6.009 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.172 6.397 -4.324 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.452 5.390 -7.114 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.959 5.019 -6.301 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.068 7.758 -7.240 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.244 6.723 -8.025 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.025 9.438 -6.227 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.578 9.365 -5.388 1.00 0.00 H new ATOM 1300 N TYR A 82 -7.041 3.979 -5.244 1.00 0.00 N ATOM 1301 CA TYR A 82 -6.607 2.600 -5.012 1.00 0.00 C ATOM 1302 C TYR A 82 -5.798 2.468 -3.716 1.00 0.00 C ATOM 1303 O TYR A 82 -6.002 1.503 -2.981 1.00 0.00 O ATOM 1304 CB TYR A 82 -5.898 2.030 -6.256 1.00 0.00 C ATOM 1305 CG TYR A 82 -4.467 1.557 -6.066 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -4.216 0.364 -5.358 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -3.398 2.292 -6.612 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -2.897 -0.091 -5.192 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -2.071 1.833 -6.453 1.00 0.00 C ATOM 1310 CZ TYR A 82 -1.823 0.633 -5.750 1.00 0.00 C ATOM 1311 OH TYR A 82 -0.556 0.169 -5.568 1.00 0.00 O ATOM 0 H TYR A 82 -6.483 4.475 -5.939 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.490 1.979 -4.858 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.487 1.192 -6.630 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.904 2.795 -7.032 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.038 -0.200 -4.943 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.592 3.207 -7.152 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.705 -0.997 -4.636 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.249 2.398 -6.868 1.00 0.00 H new ATOM 0 HH TYR A 82 0.079 0.770 -6.010 1.00 0.00 H new ATOM 1321 N ARG A 83 -4.960 3.454 -3.365 1.00 0.00 N ATOM 1322 CA ARG A 83 -4.233 3.461 -2.084 1.00 0.00 C ATOM 1323 C ARG A 83 -5.194 3.438 -0.890 1.00 0.00 C ATOM 1324 O ARG A 83 -4.906 2.747 0.082 1.00 0.00 O ATOM 1325 CB ARG A 83 -3.278 4.667 -2.038 1.00 0.00 C ATOM 1326 CG ARG A 83 -2.232 4.603 -0.912 1.00 0.00 C ATOM 1327 CD ARG A 83 -0.968 3.854 -1.353 1.00 0.00 C ATOM 1328 NE ARG A 83 -0.148 4.679 -2.264 1.00 0.00 N ATOM 1329 CZ ARG A 83 0.402 4.323 -3.413 1.00 0.00 C ATOM 1330 NH1 ARG A 83 0.335 3.140 -3.935 1.00 0.00 N ATOM 1331 NH2 ARG A 83 1.096 5.191 -4.080 1.00 0.00 N ATOM 0 H ARG A 83 -4.767 4.264 -3.955 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.637 2.551 -2.011 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.761 4.743 -2.995 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.866 5.577 -1.920 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.967 5.614 -0.604 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.664 4.108 -0.042 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.380 3.581 -0.477 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.247 2.926 -1.851 1.00 0.00 H new ATOM 0 HE ARG A 83 0.014 5.642 -1.971 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.172 2.398 -3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.790 2.950 -4.828 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.213 6.137 -3.718 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.525 4.928 -4.967 1.00 0.00 H new ATOM 1345 N LEU A 84 -6.359 4.095 -0.975 1.00 0.00 N ATOM 1346 CA LEU A 84 -7.405 3.996 0.051 1.00 0.00 C ATOM 1347 C LEU A 84 -7.992 2.575 0.145 1.00 0.00 C ATOM 1348 O LEU A 84 -8.129 2.026 1.239 1.00 0.00 O ATOM 1349 CB LEU A 84 -8.480 5.053 -0.260 1.00 0.00 C ATOM 1350 CG LEU A 84 -9.726 5.046 0.647 1.00 0.00 C ATOM 1351 CD1 LEU A 84 -9.398 5.105 2.136 1.00 0.00 C ATOM 1352 CD2 LEU A 84 -10.566 6.283 0.347 1.00 0.00 C ATOM 0 H LEU A 84 -6.602 4.707 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.975 4.193 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.018 6.039 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.806 4.916 -1.291 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.244 4.110 0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.323 5.097 2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.792 4.241 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.845 6.019 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -11.450 6.286 0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.976 7.179 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.873 6.269 -0.699 1.00 0.00 H new ATOM 1364 N GLU A 85 -8.308 1.967 -0.998 1.00 0.00 N ATOM 1365 CA GLU A 85 -8.884 0.614 -1.082 1.00 0.00 C ATOM 1366 C GLU A 85 -7.904 -0.509 -0.715 1.00 0.00 C ATOM 1367 O GLU A 85 -8.345 -1.544 -0.208 1.00 0.00 O ATOM 1368 CB GLU A 85 -9.472 0.386 -2.484 1.00 0.00 C ATOM 1369 CG GLU A 85 -10.805 1.129 -2.643 1.00 0.00 C ATOM 1370 CD GLU A 85 -11.323 1.125 -4.084 1.00 0.00 C ATOM 1371 OE1 GLU A 85 -11.153 0.116 -4.813 1.00 0.00 O ATOM 1372 OE2 GLU A 85 -11.932 2.136 -4.514 1.00 0.00 O ATOM 0 H GLU A 85 -8.171 2.403 -1.910 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.673 0.567 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.766 0.730 -3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.623 -0.681 -2.651 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.550 0.670 -1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.683 2.159 -2.309 1.00 0.00 H new ATOM 1380 N LEU A 86 -6.595 -0.304 -0.888 1.00 0.00 N ATOM 1381 CA LEU A 86 -5.566 -1.251 -0.459 1.00 0.00 C ATOM 1382 C LEU A 86 -5.091 -0.996 0.980 1.00 0.00 C ATOM 1383 O LEU A 86 -4.773 -1.957 1.673 1.00 0.00 O ATOM 1384 CB LEU A 86 -4.439 -1.301 -1.509 1.00 0.00 C ATOM 1385 CG LEU A 86 -3.502 -2.514 -1.303 1.00 0.00 C ATOM 1386 CD1 LEU A 86 -2.939 -3.034 -2.623 1.00 0.00 C ATOM 1387 CD2 LEU A 86 -2.292 -2.173 -0.424 1.00 0.00 C ATOM 0 H LEU A 86 -6.218 0.532 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.997 -2.251 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.876 -1.347 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.856 -0.381 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.126 -3.267 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.287 -3.886 -2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.759 -3.344 -3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.369 -2.244 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.665 -3.057 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.714 -1.377 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.636 -1.843 0.556 1.00 0.00 H new ATOM 1399 N ALA A 87 -5.128 0.237 1.500 1.00 0.00 N ATOM 1400 CA ALA A 87 -4.821 0.504 2.912 1.00 0.00 C ATOM 1401 C ALA A 87 -5.751 -0.283 3.857 1.00 0.00 C ATOM 1402 O ALA A 87 -5.273 -0.955 4.773 1.00 0.00 O ATOM 1403 CB ALA A 87 -4.929 2.010 3.188 1.00 0.00 C ATOM 0 H ALA A 87 -5.369 1.069 0.962 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.802 0.170 3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.701 2.205 4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.222 2.547 2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.941 2.349 2.968 1.00 0.00 H new ATOM 1409 N GLN A 88 -7.062 -0.275 3.580 1.00 0.00 N ATOM 1410 CA GLN A 88 -8.052 -1.113 4.283 1.00 0.00 C ATOM 1411 C GLN A 88 -7.831 -2.627 4.049 1.00 0.00 C ATOM 1412 O GLN A 88 -8.176 -3.443 4.905 1.00 0.00 O ATOM 1413 CB GLN A 88 -9.484 -0.632 3.963 1.00 0.00 C ATOM 1414 CG GLN A 88 -9.876 -0.676 2.477 1.00 0.00 C ATOM 1415 CD GLN A 88 -11.075 0.198 2.148 1.00 0.00 C ATOM 1416 OE1 GLN A 88 -12.214 -0.241 2.050 1.00 0.00 O ATOM 1417 NE2 GLN A 88 -10.858 1.466 1.915 1.00 0.00 N ATOM 0 H GLN A 88 -7.472 0.316 2.857 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.906 -0.986 5.356 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.189 -1.244 4.526 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.594 0.392 4.320 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.026 -0.357 1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.097 -1.706 2.197 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.914 1.845 1.993 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.633 2.077 1.655 1.00 0.00 H new ATOM 1426 N GLY A 89 -7.174 -2.987 2.939 1.00 0.00 N ATOM 1427 CA GLY A 89 -6.682 -4.328 2.604 1.00 0.00 C ATOM 1428 C GLY A 89 -5.517 -4.811 3.481 1.00 0.00 C ATOM 1429 O GLY A 89 -5.619 -5.847 4.138 1.00 0.00 O ATOM 0 H GLY A 89 -6.959 -2.309 2.208 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.505 -5.037 2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.364 -4.336 1.561 1.00 0.00 H new ATOM 1433 N ALA A 90 -4.417 -4.054 3.550 1.00 0.00 N ATOM 1434 CA ALA A 90 -3.207 -4.441 4.290 1.00 0.00 C ATOM 1435 C ALA A 90 -3.401 -4.430 5.825 1.00 0.00 C ATOM 1436 O ALA A 90 -2.773 -5.227 6.533 1.00 0.00 O ATOM 1437 CB ALA A 90 -2.040 -3.555 3.830 1.00 0.00 C ATOM 0 H ALA A 90 -4.339 -3.147 3.090 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.976 -5.481 4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.136 -3.833 4.372 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.878 -3.692 2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.276 -2.510 4.030 1.00 0.00 H new ATOM 1443 N VAL A 91 -4.337 -3.626 6.347 1.00 0.00 N ATOM 1444 CA VAL A 91 -4.790 -3.693 7.758 1.00 0.00 C ATOM 1445 C VAL A 91 -5.827 -4.808 8.012 1.00 0.00 C ATOM 1446 O VAL A 91 -6.165 -5.107 9.158 1.00 0.00 O ATOM 1447 CB VAL A 91 -5.280 -2.308 8.222 1.00 0.00 C ATOM 1448 CG1 VAL A 91 -6.659 -1.966 7.672 1.00 0.00 C ATOM 1449 CG2 VAL A 91 -5.284 -2.144 9.745 1.00 0.00 C ATOM 0 H VAL A 91 -4.809 -2.903 5.805 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.930 -3.972 8.368 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.552 -1.608 7.812 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.959 -0.980 8.028 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -6.626 -1.964 6.583 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.381 -2.709 8.011 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.640 -1.146 10.003 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.943 -2.890 10.190 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.272 -2.279 10.128 1.00 0.00 H new