USER MOD reduce.3.24.130724 H: found=0, std=0, add=1065, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1052 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 9 MET CE :methyl -176:sc= -0.173 (180deg=-0.238) USER MOD Set 1.2: A 131 MET CE :methyl -117:sc= -0.0504 (180deg=-0.87) USER MOD Set 2.1: A 105 HIS : no HE2:sc= 1.33 K(o=1.3,f=-8.6!) USER MOD Set 2.2: A 125 MET CE :methyl -116:sc= 0 (180deg=-0.23) USER MOD Set 3.1: A 73 CYS SG : rot 180:sc= -0.0484 USER MOD Set 3.2: A 91 HIS : no HE2:sc= 0.172 K(o=1.9,f=-5.6) USER MOD Set 3.3: A 116 THR OG1 : rot 57:sc= 1.78 USER MOD Set 4.1: A 108 GLN : amide:sc= 0.643 K(o=0.79,f=-2) USER MOD Set 4.2: A 110 HIS : no HD1:sc= 0.144 K(o=0.79,f=-5.1!) USER MOD Set 5.1: A 82 HIS : no HE2:sc= 0.757 K(o=2,f=-3.4) USER MOD Set 5.2: A 88 SER OG : rot -166:sc= 1.29 USER MOD Set 6.1: A 46 HIS : no HD1:sc= -0.932 K(o=0.25,f=-4.4!) USER MOD Set 6.2: A 58 CYS SG : rot -56:sc= 0.386 USER MOD Set 6.3: A 100 GLN : amide:sc= 0.795 K(o=0.25,f=-1.4) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 1.82 (180deg=1.82) USER MOD Single : A 4 LYS NZ :NH3+ 165:sc= 0.817 (180deg=0.677) USER MOD Single : A 6 TYR OH : rot -22:sc= 0.653 USER MOD Single : A 11 ASN : amide:sc= 0.139 K(o=0.14,f=-8.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.048 K(o=-0.048,f=-1.6!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0268 USER MOD Single : A 30 ASN : amide:sc= -0.0306 K(o=-0.031,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 1.54 K(o=1.5,f=-4.7!) USER MOD Single : A 40 TYR OH : rot 7:sc= 0.89 USER MOD Single : A 41 ASN : amide:sc= -0.904 K(o=-0.9,f=-5.5!) USER MOD Single : A 44 THR OG1 : rot -55:sc= 0.0356 USER MOD Single : A 54 SER OG : rot 160:sc= 0.398 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 62 ASN : amide:sc= -0.0882 K(o=-0.088,f=-1.5!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc=-0.00708 X(o=-0.0071,f=-0.29) USER MOD Single : A 78 ASN : amide:sc= -0.0318 K(o=-0.032,f=-1.4!) USER MOD Single : A 80 HIS : +bothHN:sc= 0.732 K(o=0.73,f=-4.9!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 87 MET CE :methyl 147:sc= -0.0863 (180deg=-0.62) USER MOD Single : A 89 MET CE :methyl 163:sc= -0.0396 (180deg=-0.394) USER MOD Single : A 96 THR OG1 : rot -65:sc= 1.04 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0704 USER MOD Single : A 99 CYS SG : rot 171:sc= 0.0467 USER MOD Single : A 115 HIS : no HD1:sc= 0.0836 K(o=0.084,f=-2.7!) USER MOD Single : A 120 GLN : amide:sc= 0.858 K(o=0.86,f=-1.1) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot -72:sc= 0.167 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -0.751 K(o=-0.75,f=-6.2!) USER MOD Single : A 137 MET CE :methyl 173:sc= -0.0128 (180deg=-0.0349) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 169:sc= 0.835 (180deg=0.581) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -5.935 1.847 -12.838 1.00 0.00 N ATOM 19 CA ALA A 2 -5.551 1.301 -11.542 1.00 0.00 C ATOM 20 C ALA A 2 -4.068 1.518 -11.270 1.00 0.00 C ATOM 21 O ALA A 2 -3.296 1.811 -12.184 1.00 0.00 O ATOM 22 CB ALA A 2 -5.891 -0.180 -11.468 1.00 0.00 C ATOM 0 HA ALA A 2 -6.115 1.830 -10.774 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.598 -0.572 -10.494 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.964 -0.314 -11.605 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.355 -0.716 -12.251 1.00 0.00 H new ATOM 28 N LYS A 3 -3.675 1.372 -10.009 1.00 0.00 N ATOM 29 CA LYS A 3 -2.292 1.596 -9.608 1.00 0.00 C ATOM 30 C LYS A 3 -1.766 0.433 -8.775 1.00 0.00 C ATOM 31 O LYS A 3 -2.537 -0.298 -8.155 1.00 0.00 O ATOM 32 CB LYS A 3 -2.165 2.903 -8.824 1.00 0.00 C ATOM 33 CG LYS A 3 -2.538 4.150 -9.615 1.00 0.00 C ATOM 34 CD LYS A 3 -2.495 5.393 -8.739 1.00 0.00 C ATOM 35 CE LYS A 3 -3.042 6.608 -9.475 1.00 0.00 C ATOM 36 NZ LYS A 3 -2.018 7.233 -10.356 1.00 0.00 N ATOM 0 H LYS A 3 -4.296 1.099 -9.247 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.690 1.668 -10.514 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.800 2.845 -7.940 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.138 3.004 -8.473 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.853 4.270 -10.454 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.537 4.032 -10.034 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.076 5.222 -7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.468 5.586 -8.428 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.903 6.312 -10.074 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.394 7.342 -8.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.431 8.056 -10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.206 7.539 -9.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.700 6.541 -11.064 1.00 0.00 H new ATOM 50 N LYS A 4 -0.447 0.268 -8.767 1.00 0.00 N ATOM 51 CA LYS A 4 0.200 -0.676 -7.862 1.00 0.00 C ATOM 52 C LYS A 4 1.632 -0.255 -7.560 1.00 0.00 C ATOM 53 O LYS A 4 2.107 0.767 -8.057 1.00 0.00 O ATOM 54 CB LYS A 4 0.180 -2.085 -8.456 1.00 0.00 C ATOM 55 CG LYS A 4 1.027 -2.252 -9.711 1.00 0.00 C ATOM 56 CD LYS A 4 0.745 -3.581 -10.395 1.00 0.00 C ATOM 57 CE LYS A 4 1.246 -4.751 -9.561 1.00 0.00 C ATOM 58 NZ LYS A 4 0.638 -6.040 -9.989 1.00 0.00 N ATOM 0 H LYS A 4 0.195 0.775 -9.377 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.359 -0.678 -6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.529 -2.789 -7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.850 -2.353 -8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.822 -1.434 -10.402 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.084 -2.192 -9.450 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.327 -3.685 -10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.225 -3.598 -11.374 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.331 -4.817 -9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.016 -4.573 -8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.179 -6.830 -9.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.346 -6.087 -9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.656 -6.105 -11.027 1.00 0.00 H new ATOM 72 N GLY A 5 2.317 -1.047 -6.743 1.00 0.00 N ATOM 73 CA GLY A 5 3.685 -0.738 -6.343 1.00 0.00 C ATOM 74 C GLY A 5 4.270 -1.848 -5.478 1.00 0.00 C ATOM 75 O GLY A 5 3.711 -2.940 -5.390 1.00 0.00 O ATOM 0 H GLY A 5 1.947 -1.910 -6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.304 -0.600 -7.230 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.702 0.203 -5.793 1.00 0.00 H new ATOM 79 N TYR A 6 5.399 -1.559 -4.840 1.00 0.00 N ATOM 80 CA TYR A 6 6.089 -2.548 -4.019 1.00 0.00 C ATOM 81 C TYR A 6 6.863 -1.881 -2.890 1.00 0.00 C ATOM 82 O TYR A 6 7.328 -0.750 -3.025 1.00 0.00 O ATOM 83 CB TYR A 6 7.028 -3.396 -4.879 1.00 0.00 C ATOM 84 CG TYR A 6 8.105 -2.596 -5.578 1.00 0.00 C ATOM 85 CD1 TYR A 6 9.298 -2.319 -4.924 1.00 0.00 C ATOM 86 CD2 TYR A 6 7.900 -2.139 -6.872 1.00 0.00 C ATOM 87 CE1 TYR A 6 10.281 -1.588 -5.564 1.00 0.00 C ATOM 88 CE2 TYR A 6 8.883 -1.408 -7.509 1.00 0.00 C ATOM 89 CZ TYR A 6 10.070 -1.134 -6.860 1.00 0.00 C ATOM 90 OH TYR A 6 11.050 -0.406 -7.496 1.00 0.00 O ATOM 0 H TYR A 6 5.856 -0.648 -4.875 1.00 0.00 H new ATOM 0 HA TYR A 6 5.336 -3.199 -3.574 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.500 -4.151 -4.250 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.440 -3.927 -5.627 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.458 -2.674 -3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.972 -2.355 -7.381 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.210 -1.370 -5.058 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.723 -1.050 -8.515 1.00 0.00 H new ATOM 0 HH TYR A 6 11.645 -0.006 -6.828 1.00 0.00 H new ATOM 100 N ILE A 7 7.000 -2.590 -1.773 1.00 0.00 N ATOM 101 CA ILE A 7 7.893 -2.167 -0.702 1.00 0.00 C ATOM 102 C ILE A 7 9.112 -3.076 -0.612 1.00 0.00 C ATOM 103 O ILE A 7 9.037 -4.182 -0.076 1.00 0.00 O ATOM 104 CB ILE A 7 7.160 -2.155 0.652 1.00 0.00 C ATOM 105 CG1 ILE A 7 5.985 -1.174 0.614 1.00 0.00 C ATOM 106 CG2 ILE A 7 8.121 -1.796 1.774 1.00 0.00 C ATOM 107 CD1 ILE A 7 5.137 -1.187 1.865 1.00 0.00 C ATOM 0 H ILE A 7 6.503 -3.461 -1.587 1.00 0.00 H new ATOM 0 HA ILE A 7 8.225 -1.156 -0.936 1.00 0.00 H new ATOM 0 HB ILE A 7 6.768 -3.154 0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.370 -0.166 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.355 -1.410 -0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.586 -1.792 2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.925 -2.531 1.813 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.542 -0.807 1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.326 -0.466 1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.721 -2.184 2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.752 -0.920 2.724 1.00 0.00 H new ATOM 119 N LEU A 8 10.237 -2.603 -1.138 1.00 0.00 N ATOM 120 CA LEU A 8 11.503 -3.313 -1.005 1.00 0.00 C ATOM 121 C LEU A 8 12.130 -3.069 0.361 1.00 0.00 C ATOM 122 O LEU A 8 12.418 -1.930 0.729 1.00 0.00 O ATOM 123 CB LEU A 8 12.475 -2.874 -2.107 1.00 0.00 C ATOM 124 CG LEU A 8 13.852 -3.550 -2.088 1.00 0.00 C ATOM 125 CD1 LEU A 8 13.693 -5.036 -2.377 1.00 0.00 C ATOM 126 CD2 LEU A 8 14.759 -2.887 -3.115 1.00 0.00 C ATOM 0 H LEU A 8 10.297 -1.729 -1.661 1.00 0.00 H new ATOM 0 HA LEU A 8 11.301 -4.379 -1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.010 -3.066 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.619 -1.796 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 8 14.308 -3.438 -1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.672 -5.516 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.056 -5.488 -1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.237 -5.169 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.737 -3.368 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.319 -2.988 -4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.871 -1.830 -2.873 1.00 0.00 H new ATOM 138 N MET A 9 12.341 -4.146 1.112 1.00 0.00 N ATOM 139 CA MET A 9 12.849 -4.043 2.474 1.00 0.00 C ATOM 140 C MET A 9 14.371 -4.086 2.499 1.00 0.00 C ATOM 141 O MET A 9 14.997 -4.743 1.667 1.00 0.00 O ATOM 142 CB MET A 9 12.270 -5.161 3.339 1.00 0.00 C ATOM 143 CG MET A 9 10.749 -5.214 3.364 1.00 0.00 C ATOM 144 SD MET A 9 10.008 -3.678 3.952 1.00 0.00 S ATOM 145 CE MET A 9 10.507 -3.699 5.671 1.00 0.00 C ATOM 0 H MET A 9 12.167 -5.101 0.799 1.00 0.00 H new ATOM 0 HA MET A 9 12.535 -3.082 2.881 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.649 -6.117 2.977 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.634 -5.040 4.359 1.00 0.00 H new ATOM 0 HG2 MET A 9 10.381 -5.430 2.361 1.00 0.00 H new ATOM 0 HG3 MET A 9 10.429 -6.036 4.005 1.00 0.00 H new ATOM 0 HE1 MET A 9 10.065 -2.848 6.189 1.00 0.00 H new ATOM 0 HE2 MET A 9 10.167 -4.624 6.137 1.00 0.00 H new ATOM 0 HE3 MET A 9 11.593 -3.638 5.735 1.00 0.00 H new ATOM 155 N GLU A 10 14.963 -3.382 3.457 1.00 0.00 N ATOM 156 CA GLU A 10 16.414 -3.306 3.568 1.00 0.00 C ATOM 157 C GLU A 10 17.018 -4.679 3.842 1.00 0.00 C ATOM 158 O GLU A 10 18.169 -4.941 3.494 1.00 0.00 O ATOM 159 CB GLU A 10 16.815 -2.332 4.679 1.00 0.00 C ATOM 160 CG GLU A 10 18.307 -2.039 4.750 1.00 0.00 C ATOM 161 CD GLU A 10 18.831 -1.368 3.511 1.00 0.00 C ATOM 162 OE1 GLU A 10 18.245 -0.399 3.091 1.00 0.00 O ATOM 163 OE2 GLU A 10 19.818 -1.824 2.985 1.00 0.00 O ATOM 0 H GLU A 10 14.458 -2.855 4.170 1.00 0.00 H new ATOM 0 HA GLU A 10 16.802 -2.943 2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.279 -1.394 4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.491 -2.739 5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 10 18.507 -1.404 5.613 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.848 -2.972 4.908 1.00 0.00 H new ATOM 170 N ASN A 11 16.233 -5.550 4.467 1.00 0.00 N ATOM 171 CA ASN A 11 16.718 -6.865 4.870 1.00 0.00 C ATOM 172 C ASN A 11 16.619 -7.864 3.724 1.00 0.00 C ATOM 173 O ASN A 11 16.890 -9.052 3.898 1.00 0.00 O ATOM 174 CB ASN A 11 15.955 -7.366 6.083 1.00 0.00 C ATOM 175 CG ASN A 11 14.509 -7.646 5.780 1.00 0.00 C ATOM 176 OD1 ASN A 11 14.053 -7.467 4.645 1.00 0.00 O ATOM 177 ND2 ASN A 11 13.779 -8.081 6.775 1.00 0.00 N ATOM 0 H ASN A 11 15.258 -5.369 4.706 1.00 0.00 H new ATOM 0 HA ASN A 11 17.770 -6.767 5.138 1.00 0.00 H new ATOM 0 HB2 ASN A 11 16.427 -8.275 6.455 1.00 0.00 H new ATOM 0 HB3 ASN A 11 16.019 -6.625 6.880 1.00 0.00 H new ATOM 0 HD21 ASN A 11 12.791 -8.287 6.630 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.198 -8.214 7.695 1.00 0.00 H new ATOM 184 N GLY A 12 16.230 -7.375 2.552 1.00 0.00 N ATOM 185 CA GLY A 12 16.213 -8.195 1.347 1.00 0.00 C ATOM 186 C GLY A 12 14.810 -8.707 1.048 1.00 0.00 C ATOM 187 O GLY A 12 14.577 -9.342 0.019 1.00 0.00 O ATOM 0 H GLY A 12 15.922 -6.413 2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.578 -7.611 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 12 16.892 -9.039 1.469 1.00 0.00 H new ATOM 191 N GLY A 13 13.878 -8.427 1.953 1.00 0.00 N ATOM 192 CA GLY A 13 12.481 -8.789 1.750 1.00 0.00 C ATOM 193 C GLY A 13 11.817 -7.870 0.732 1.00 0.00 C ATOM 194 O GLY A 13 12.392 -6.863 0.322 1.00 0.00 O ATOM 0 H GLY A 13 14.066 -7.950 2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.416 -9.822 1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.946 -8.733 2.698 1.00 0.00 H new ATOM 198 N LYS A 14 10.602 -8.225 0.326 1.00 0.00 N ATOM 199 CA LYS A 14 9.843 -7.415 -0.620 1.00 0.00 C ATOM 200 C LYS A 14 8.350 -7.694 -0.509 1.00 0.00 C ATOM 201 O LYS A 14 7.917 -8.846 -0.566 1.00 0.00 O ATOM 202 CB LYS A 14 10.321 -7.673 -2.049 1.00 0.00 C ATOM 203 CG LYS A 14 9.695 -6.761 -3.096 1.00 0.00 C ATOM 204 CD LYS A 14 10.309 -6.991 -4.469 1.00 0.00 C ATOM 205 CE LYS A 14 9.709 -6.057 -5.509 1.00 0.00 C ATOM 206 NZ LYS A 14 10.262 -6.306 -6.867 1.00 0.00 N ATOM 0 H LYS A 14 10.122 -9.069 0.638 1.00 0.00 H new ATOM 0 HA LYS A 14 10.013 -6.367 -0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.404 -7.556 -2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.104 -8.709 -2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.621 -6.940 -3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.833 -5.720 -2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.387 -6.837 -4.418 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.149 -8.026 -4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.627 -6.185 -5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.903 -5.023 -5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.827 -5.649 -7.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.292 -6.159 -6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.055 -7.285 -7.152 1.00 0.00 H new ATOM 220 N ILE A 15 7.566 -6.634 -0.349 1.00 0.00 N ATOM 221 CA ILE A 15 6.116 -6.760 -0.261 1.00 0.00 C ATOM 222 C ILE A 15 5.431 -6.076 -1.437 1.00 0.00 C ATOM 223 O ILE A 15 5.353 -4.849 -1.495 1.00 0.00 O ATOM 224 CB ILE A 15 5.592 -6.160 1.058 1.00 0.00 C ATOM 225 CG1 ILE A 15 6.236 -6.862 2.255 1.00 0.00 C ATOM 226 CG2 ILE A 15 4.076 -6.268 1.125 1.00 0.00 C ATOM 227 CD1 ILE A 15 5.952 -6.192 3.581 1.00 0.00 C ATOM 0 H ILE A 15 7.911 -5.677 -0.278 1.00 0.00 H new ATOM 0 HA ILE A 15 5.881 -7.824 -0.288 1.00 0.00 H new ATOM 0 HB ILE A 15 5.862 -5.105 1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.880 -7.891 2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.315 -6.903 2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.722 -5.840 2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.635 -5.725 0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.783 -7.317 1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.442 -6.747 4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.333 -5.171 3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.876 -6.175 3.757 1.00 0.00 H new ATOM 239 N GLU A 16 4.935 -6.878 -2.373 1.00 0.00 N ATOM 240 CA GLU A 16 4.269 -6.351 -3.559 1.00 0.00 C ATOM 241 C GLU A 16 2.781 -6.143 -3.310 1.00 0.00 C ATOM 242 O GLU A 16 2.102 -7.024 -2.781 1.00 0.00 O ATOM 243 CB GLU A 16 4.470 -7.295 -4.747 1.00 0.00 C ATOM 244 CG GLU A 16 3.841 -6.812 -6.046 1.00 0.00 C ATOM 245 CD GLU A 16 4.053 -7.766 -7.189 1.00 0.00 C ATOM 246 OE1 GLU A 16 4.673 -8.782 -6.983 1.00 0.00 O ATOM 247 OE2 GLU A 16 3.594 -7.479 -8.270 1.00 0.00 O ATOM 0 H GLU A 16 4.982 -7.896 -2.333 1.00 0.00 H new ATOM 0 HA GLU A 16 4.716 -5.384 -3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.539 -7.437 -4.906 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.053 -8.270 -4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.771 -6.667 -5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.260 -5.841 -6.308 1.00 0.00 H new ATOM 254 N PHE A 17 2.280 -4.974 -3.692 1.00 0.00 N ATOM 255 CA PHE A 17 0.912 -4.585 -3.371 1.00 0.00 C ATOM 256 C PHE A 17 0.250 -3.878 -4.547 1.00 0.00 C ATOM 257 O PHE A 17 0.926 -3.395 -5.454 1.00 0.00 O ATOM 258 CB PHE A 17 0.890 -3.673 -2.143 1.00 0.00 C ATOM 259 CG PHE A 17 1.574 -2.353 -2.357 1.00 0.00 C ATOM 260 CD1 PHE A 17 0.894 -1.287 -2.927 1.00 0.00 C ATOM 261 CD2 PHE A 17 2.899 -2.174 -1.990 1.00 0.00 C ATOM 262 CE1 PHE A 17 1.523 -0.071 -3.123 1.00 0.00 C ATOM 263 CE2 PHE A 17 3.530 -0.961 -2.185 1.00 0.00 C ATOM 264 CZ PHE A 17 2.840 0.091 -2.753 1.00 0.00 C ATOM 0 H PHE A 17 2.802 -4.278 -4.225 1.00 0.00 H new ATOM 0 HA PHE A 17 0.351 -5.494 -3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.145 -3.493 -1.854 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.368 -4.189 -1.310 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.138 -1.408 -3.221 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.445 -2.993 -1.546 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.982 0.752 -3.566 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.562 -0.836 -1.893 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.332 1.040 -2.907 1.00 0.00 H new ATOM 274 N GLU A 18 -1.078 -3.821 -4.525 1.00 0.00 N ATOM 275 CA GLU A 18 -1.828 -3.037 -5.499 1.00 0.00 C ATOM 276 C GLU A 18 -2.725 -2.016 -4.811 1.00 0.00 C ATOM 277 O GLU A 18 -3.190 -2.237 -3.693 1.00 0.00 O ATOM 278 CB GLU A 18 -2.670 -3.954 -6.387 1.00 0.00 C ATOM 279 CG GLU A 18 -1.859 -4.887 -7.276 1.00 0.00 C ATOM 280 CD GLU A 18 -2.709 -5.647 -8.256 1.00 0.00 C ATOM 281 OE1 GLU A 18 -3.910 -5.579 -8.150 1.00 0.00 O ATOM 282 OE2 GLU A 18 -2.156 -6.298 -9.112 1.00 0.00 O ATOM 0 H GLU A 18 -1.657 -4.309 -3.842 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.110 -2.500 -6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.324 -4.553 -5.753 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.313 -3.339 -7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.116 -4.306 -7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.314 -5.594 -6.651 1.00 0.00 H new ATOM 289 N LEU A 19 -2.965 -0.896 -5.486 1.00 0.00 N ATOM 290 CA LEU A 19 -3.709 0.209 -4.896 1.00 0.00 C ATOM 291 C LEU A 19 -5.069 0.376 -5.562 1.00 0.00 C ATOM 292 O LEU A 19 -5.249 0.016 -6.726 1.00 0.00 O ATOM 293 CB LEU A 19 -2.909 1.512 -5.019 1.00 0.00 C ATOM 294 CG LEU A 19 -1.536 1.517 -4.337 1.00 0.00 C ATOM 295 CD1 LEU A 19 -0.827 2.833 -4.629 1.00 0.00 C ATOM 296 CD2 LEU A 19 -1.711 1.311 -2.840 1.00 0.00 C ATOM 0 H LEU A 19 -2.654 -0.731 -6.443 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.868 -0.020 -3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.769 1.732 -6.077 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.505 2.323 -4.601 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.924 0.703 -4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.149 2.836 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.698 2.945 -5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.424 3.661 -4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.735 1.315 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.322 2.116 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.202 0.355 -2.659 1.00 0.00 H new ATOM 308 N PHE A 20 -6.024 0.922 -4.817 1.00 0.00 N ATOM 309 CA PHE A 20 -7.396 1.040 -5.297 1.00 0.00 C ATOM 310 C PHE A 20 -7.901 2.472 -5.175 1.00 0.00 C ATOM 311 O PHE A 20 -8.427 2.869 -4.135 1.00 0.00 O ATOM 312 CB PHE A 20 -8.317 0.101 -4.516 1.00 0.00 C ATOM 313 CG PHE A 20 -7.925 -1.346 -4.606 1.00 0.00 C ATOM 314 CD1 PHE A 20 -8.389 -2.143 -5.642 1.00 0.00 C ATOM 315 CD2 PHE A 20 -7.089 -1.914 -3.657 1.00 0.00 C ATOM 316 CE1 PHE A 20 -8.030 -3.474 -5.727 1.00 0.00 C ATOM 317 CE2 PHE A 20 -6.727 -3.246 -3.739 1.00 0.00 C ATOM 318 CZ PHE A 20 -7.198 -4.025 -4.774 1.00 0.00 C ATOM 0 H PHE A 20 -5.873 1.290 -3.878 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.404 0.759 -6.350 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.323 0.402 -3.468 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.336 0.215 -4.886 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -9.039 -1.717 -6.392 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.716 -1.309 -2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.400 -4.083 -6.539 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.076 -3.676 -2.992 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.916 -5.066 -4.839 1.00 0.00 H new ATOM 328 N PRO A 21 -7.737 3.245 -6.243 1.00 0.00 N ATOM 329 CA PRO A 21 -8.221 4.621 -6.275 1.00 0.00 C ATOM 330 C PRO A 21 -9.703 4.691 -5.931 1.00 0.00 C ATOM 331 O PRO A 21 -10.179 5.694 -5.398 1.00 0.00 O ATOM 332 CB PRO A 21 -7.957 5.044 -7.723 1.00 0.00 C ATOM 333 CG PRO A 21 -6.798 4.206 -8.145 1.00 0.00 C ATOM 334 CD PRO A 21 -7.044 2.872 -7.491 1.00 0.00 C ATOM 0 HA PRO A 21 -7.732 5.269 -5.547 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.827 4.866 -8.355 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.725 6.107 -7.791 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.748 4.114 -9.230 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.853 4.641 -7.818 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.657 2.222 -8.115 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.113 2.340 -7.294 1.00 0.00 H new ATOM 342 N ASN A 22 -10.428 3.621 -6.239 1.00 0.00 N ATOM 343 CA ASN A 22 -11.858 3.559 -5.961 1.00 0.00 C ATOM 344 C ASN A 22 -12.128 3.559 -4.462 1.00 0.00 C ATOM 345 O ASN A 22 -13.146 4.081 -4.004 1.00 0.00 O ATOM 346 CB ASN A 22 -12.477 2.338 -6.615 1.00 0.00 C ATOM 347 CG ASN A 22 -12.590 2.477 -8.107 1.00 0.00 C ATOM 348 OD1 ASN A 22 -12.583 3.591 -8.643 1.00 0.00 O ATOM 349 ND2 ASN A 22 -12.695 1.365 -8.792 1.00 0.00 N ATOM 0 H ASN A 22 -10.048 2.784 -6.682 1.00 0.00 H new ATOM 0 HA ASN A 22 -12.320 4.450 -6.385 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.875 1.460 -6.380 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.468 2.167 -6.194 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.775 1.398 -9.808 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.697 0.467 -8.309 1.00 0.00 H new ATOM 356 N GLU A 23 -11.212 2.971 -3.701 1.00 0.00 N ATOM 357 CA GLU A 23 -11.324 2.948 -2.246 1.00 0.00 C ATOM 358 C GLU A 23 -11.013 4.314 -1.649 1.00 0.00 C ATOM 359 O GLU A 23 -11.708 4.780 -0.746 1.00 0.00 O ATOM 360 CB GLU A 23 -10.382 1.896 -1.656 1.00 0.00 C ATOM 361 CG GLU A 23 -10.819 0.457 -1.893 1.00 0.00 C ATOM 362 CD GLU A 23 -9.817 -0.548 -1.397 1.00 0.00 C ATOM 363 OE1 GLU A 23 -8.756 -0.146 -0.982 1.00 0.00 O ATOM 364 OE2 GLU A 23 -10.114 -1.719 -1.432 1.00 0.00 O ATOM 0 H GLU A 23 -10.383 2.503 -4.067 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.353 2.689 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.388 2.036 -2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.295 2.065 -0.583 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.774 0.286 -1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.983 0.303 -2.960 1.00 0.00 H new ATOM 371 N ALA A 24 -9.965 4.953 -2.158 1.00 0.00 N ATOM 372 CA ALA A 24 -9.565 6.272 -1.682 1.00 0.00 C ATOM 373 C ALA A 24 -8.684 6.982 -2.701 1.00 0.00 C ATOM 374 O ALA A 24 -7.466 6.803 -2.713 1.00 0.00 O ATOM 375 CB ALA A 24 -8.845 6.158 -0.346 1.00 0.00 C ATOM 0 H ALA A 24 -9.376 4.578 -2.902 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.467 6.868 -1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.553 7.151 -0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.510 5.703 0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.956 5.539 -0.464 1.00 0.00 H new ATOM 381 N PRO A 25 -9.306 7.787 -3.556 1.00 0.00 N ATOM 382 CA PRO A 25 -8.579 8.527 -4.580 1.00 0.00 C ATOM 383 C PRO A 25 -7.464 9.366 -3.966 1.00 0.00 C ATOM 384 O PRO A 25 -6.333 9.362 -4.452 1.00 0.00 O ATOM 385 CB PRO A 25 -9.665 9.405 -5.209 1.00 0.00 C ATOM 386 CG PRO A 25 -10.922 8.627 -5.013 1.00 0.00 C ATOM 387 CD PRO A 25 -10.768 8.004 -3.651 1.00 0.00 C ATOM 0 HA PRO A 25 -8.081 7.884 -5.306 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.720 10.380 -4.724 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.469 9.586 -6.266 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.800 9.272 -5.058 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.044 7.868 -5.786 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.132 8.661 -2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.322 7.069 -3.568 1.00 0.00 H new ATOM 395 N VAL A 26 -7.791 10.083 -2.897 1.00 0.00 N ATOM 396 CA VAL A 26 -6.851 11.014 -2.283 1.00 0.00 C ATOM 397 C VAL A 26 -5.706 10.272 -1.605 1.00 0.00 C ATOM 398 O VAL A 26 -4.538 10.616 -1.788 1.00 0.00 O ATOM 399 CB VAL A 26 -7.573 11.896 -1.246 1.00 0.00 C ATOM 400 CG1 VAL A 26 -6.570 12.744 -0.478 1.00 0.00 C ATOM 401 CG2 VAL A 26 -8.602 12.775 -1.941 1.00 0.00 C ATOM 0 H VAL A 26 -8.700 10.038 -2.437 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.441 11.642 -3.074 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.088 11.253 -0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.097 13.361 0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.865 12.094 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.029 13.386 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.109 13.396 -1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.102 13.413 -2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.333 12.147 -2.450 1.00 0.00 H new ATOM 411 N THR A 27 -6.047 9.255 -0.823 1.00 0.00 N ATOM 412 CA THR A 27 -5.052 8.500 -0.070 1.00 0.00 C ATOM 413 C THR A 27 -4.071 7.800 -1.001 1.00 0.00 C ATOM 414 O THR A 27 -2.859 7.855 -0.795 1.00 0.00 O ATOM 415 CB THR A 27 -5.723 7.464 0.850 1.00 0.00 C ATOM 416 OG1 THR A 27 -6.642 8.125 1.730 1.00 0.00 O ATOM 417 CG2 THR A 27 -4.678 6.728 1.676 1.00 0.00 C ATOM 0 H THR A 27 -7.006 8.933 -0.693 1.00 0.00 H new ATOM 0 HA THR A 27 -4.502 9.213 0.545 1.00 0.00 H new ATOM 0 HB THR A 27 -6.257 6.743 0.231 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.069 7.464 2.314 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.170 6.000 2.320 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.985 6.214 1.011 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.129 7.443 2.289 1.00 0.00 H new ATOM 425 N VAL A 28 -4.603 7.142 -2.025 1.00 0.00 N ATOM 426 CA VAL A 28 -3.773 6.461 -3.012 1.00 0.00 C ATOM 427 C VAL A 28 -2.842 7.438 -3.717 1.00 0.00 C ATOM 428 O VAL A 28 -1.643 7.187 -3.844 1.00 0.00 O ATOM 429 CB VAL A 28 -4.657 5.753 -4.057 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.814 5.269 -5.228 1.00 0.00 C ATOM 431 CG2 VAL A 28 -5.396 4.592 -3.408 1.00 0.00 C ATOM 0 H VAL A 28 -5.606 7.066 -2.193 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.169 5.723 -2.484 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.390 6.463 -4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.454 4.771 -5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.322 6.120 -5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.061 4.568 -4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.019 4.096 -4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.675 3.881 -3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.025 4.967 -2.600 1.00 0.00 H new ATOM 441 N ALA A 29 -3.400 8.554 -4.175 1.00 0.00 N ATOM 442 CA ALA A 29 -2.623 9.568 -4.876 1.00 0.00 C ATOM 443 C ALA A 29 -1.476 10.078 -4.012 1.00 0.00 C ATOM 444 O ALA A 29 -0.332 10.148 -4.461 1.00 0.00 O ATOM 445 CB ALA A 29 -3.517 10.723 -5.302 1.00 0.00 C ATOM 0 H ALA A 29 -4.390 8.779 -4.073 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.196 9.107 -5.767 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.921 11.471 -5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.298 10.353 -5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.974 11.173 -4.421 1.00 0.00 H new ATOM 451 N ASN A 30 -1.790 10.433 -2.771 1.00 0.00 N ATOM 452 CA ASN A 30 -0.797 10.991 -1.860 1.00 0.00 C ATOM 453 C ASN A 30 0.297 9.978 -1.551 1.00 0.00 C ATOM 454 O ASN A 30 1.482 10.314 -1.543 1.00 0.00 O ATOM 455 CB ASN A 30 -1.458 11.470 -0.580 1.00 0.00 C ATOM 456 CG ASN A 30 -2.290 12.705 -0.788 1.00 0.00 C ATOM 457 OD1 ASN A 30 -2.163 13.391 -1.808 1.00 0.00 O ATOM 458 ND2 ASN A 30 -3.141 13.003 0.162 1.00 0.00 N ATOM 0 H ASN A 30 -2.725 10.344 -2.373 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.333 11.846 -2.352 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.088 10.675 -0.181 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.691 11.674 0.167 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.732 13.830 0.076 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.213 12.408 0.987 1.00 0.00 H new ATOM 465 N PHE A 31 -0.105 8.739 -1.297 1.00 0.00 N ATOM 466 CA PHE A 31 0.845 7.663 -1.034 1.00 0.00 C ATOM 467 C PHE A 31 1.799 7.473 -2.206 1.00 0.00 C ATOM 468 O PHE A 31 3.006 7.316 -2.018 1.00 0.00 O ATOM 469 CB PHE A 31 0.106 6.354 -0.754 1.00 0.00 C ATOM 470 CG PHE A 31 1.010 5.219 -0.368 1.00 0.00 C ATOM 471 CD1 PHE A 31 1.415 5.051 0.948 1.00 0.00 C ATOM 472 CD2 PHE A 31 1.459 4.315 -1.320 1.00 0.00 C ATOM 473 CE1 PHE A 31 2.247 4.007 1.304 1.00 0.00 C ATOM 474 CE2 PHE A 31 2.289 3.269 -0.967 1.00 0.00 C ATOM 475 CZ PHE A 31 2.684 3.116 0.347 1.00 0.00 C ATOM 0 H PHE A 31 -1.084 8.453 -1.267 1.00 0.00 H new ATOM 0 HA PHE A 31 1.427 7.942 -0.156 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.616 6.519 0.045 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.460 6.070 -1.641 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.076 5.745 1.703 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.156 4.431 -2.350 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.555 3.889 2.332 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.629 2.571 -1.718 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.334 2.300 0.625 1.00 0.00 H new ATOM 485 N GLU A 32 1.252 7.488 -3.417 1.00 0.00 N ATOM 486 CA GLU A 32 2.061 7.380 -4.625 1.00 0.00 C ATOM 487 C GLU A 32 3.062 8.524 -4.722 1.00 0.00 C ATOM 488 O GLU A 32 4.242 8.307 -4.998 1.00 0.00 O ATOM 489 CB GLU A 32 1.166 7.367 -5.866 1.00 0.00 C ATOM 490 CG GLU A 32 1.922 7.404 -7.187 1.00 0.00 C ATOM 491 CD GLU A 32 1.026 7.224 -8.380 1.00 0.00 C ATOM 492 OE1 GLU A 32 0.101 7.987 -8.526 1.00 0.00 O ATOM 493 OE2 GLU A 32 1.265 6.321 -9.146 1.00 0.00 O ATOM 0 H GLU A 32 0.250 7.574 -3.588 1.00 0.00 H new ATOM 0 HA GLU A 32 2.615 6.443 -4.572 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.545 6.472 -5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.493 8.223 -5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.446 8.356 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.681 6.621 -7.188 1.00 0.00 H new ATOM 500 N LYS A 33 2.585 9.742 -4.492 1.00 0.00 N ATOM 501 CA LYS A 33 3.430 10.927 -4.586 1.00 0.00 C ATOM 502 C LYS A 33 4.612 10.838 -3.629 1.00 0.00 C ATOM 503 O LYS A 33 5.740 11.177 -3.988 1.00 0.00 O ATOM 504 CB LYS A 33 2.617 12.190 -4.300 1.00 0.00 C ATOM 505 CG LYS A 33 1.642 12.575 -5.406 1.00 0.00 C ATOM 506 CD LYS A 33 0.837 13.808 -5.027 1.00 0.00 C ATOM 507 CE LYS A 33 -0.153 14.182 -6.122 1.00 0.00 C ATOM 508 NZ LYS A 33 -0.941 15.393 -5.770 1.00 0.00 N ATOM 0 H LYS A 33 1.616 9.935 -4.239 1.00 0.00 H new ATOM 0 HA LYS A 33 3.818 10.979 -5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.059 12.047 -3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.304 13.020 -4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.191 12.766 -6.328 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.966 11.743 -5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.300 13.622 -4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.513 14.644 -4.844 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.386 14.358 -7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.831 13.347 -6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.603 15.613 -6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.475 15.217 -4.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.297 16.197 -5.626 1.00 0.00 H new ATOM 522 N LEU A 34 4.348 10.378 -2.411 1.00 0.00 N ATOM 523 CA LEU A 34 5.395 10.207 -1.413 1.00 0.00 C ATOM 524 C LEU A 34 6.377 9.117 -1.824 1.00 0.00 C ATOM 525 O LEU A 34 7.591 9.322 -1.805 1.00 0.00 O ATOM 526 CB LEU A 34 4.779 9.863 -0.050 1.00 0.00 C ATOM 527 CG LEU A 34 3.985 10.988 0.624 1.00 0.00 C ATOM 528 CD1 LEU A 34 3.260 10.438 1.845 1.00 0.00 C ATOM 529 CD2 LEU A 34 4.932 12.115 1.012 1.00 0.00 C ATOM 0 H LEU A 34 3.415 10.117 -2.091 1.00 0.00 H new ATOM 0 HA LEU A 34 5.940 11.148 -1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.120 9.004 -0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.580 9.555 0.623 1.00 0.00 H new ATOM 0 HG LEU A 34 3.241 11.385 -0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.696 11.238 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.577 9.646 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.988 10.035 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.368 12.915 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.684 11.736 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.423 12.502 0.119 1.00 0.00 H new ATOM 541 N ALA A 35 5.843 7.958 -2.194 1.00 0.00 N ATOM 542 CA ALA A 35 6.672 6.810 -2.542 1.00 0.00 C ATOM 543 C ALA A 35 7.631 7.146 -3.676 1.00 0.00 C ATOM 544 O ALA A 35 8.817 6.822 -3.615 1.00 0.00 O ATOM 545 CB ALA A 35 5.800 5.622 -2.922 1.00 0.00 C ATOM 0 H ALA A 35 4.839 7.789 -2.261 1.00 0.00 H new ATOM 0 HA ALA A 35 7.265 6.547 -1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.434 4.773 -3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.161 5.356 -2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.180 5.885 -3.779 1.00 0.00 H new ATOM 551 N ASN A 36 7.112 7.798 -4.710 1.00 0.00 N ATOM 552 CA ASN A 36 7.888 8.068 -5.915 1.00 0.00 C ATOM 553 C ASN A 36 8.846 9.234 -5.704 1.00 0.00 C ATOM 554 O ASN A 36 9.652 9.552 -6.577 1.00 0.00 O ATOM 555 CB ASN A 36 6.970 8.337 -7.092 1.00 0.00 C ATOM 556 CG ASN A 36 6.280 7.093 -7.583 1.00 0.00 C ATOM 557 OD1 ASN A 36 6.713 5.973 -7.291 1.00 0.00 O ATOM 558 ND2 ASN A 36 5.216 7.270 -8.324 1.00 0.00 N ATOM 0 H ASN A 36 6.155 8.150 -4.738 1.00 0.00 H new ATOM 0 HA ASN A 36 8.483 7.182 -6.136 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.221 9.074 -6.803 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.548 8.773 -7.907 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.707 6.464 -8.687 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.896 8.214 -8.539 1.00 0.00 H new ATOM 565 N GLU A 37 8.751 9.867 -4.540 1.00 0.00 N ATOM 566 CA GLU A 37 9.724 10.874 -4.134 1.00 0.00 C ATOM 567 C GLU A 37 10.758 10.288 -3.182 1.00 0.00 C ATOM 568 O GLU A 37 11.627 11.000 -2.677 1.00 0.00 O ATOM 569 CB GLU A 37 9.021 12.059 -3.471 1.00 0.00 C ATOM 570 CG GLU A 37 8.280 12.973 -4.438 1.00 0.00 C ATOM 571 CD GLU A 37 7.535 14.078 -3.744 1.00 0.00 C ATOM 572 OE1 GLU A 37 8.137 14.778 -2.966 1.00 0.00 O ATOM 573 OE2 GLU A 37 6.361 14.224 -3.994 1.00 0.00 O ATOM 0 H GLU A 37 8.009 9.700 -3.860 1.00 0.00 H new ATOM 0 HA GLU A 37 10.239 11.219 -5.031 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.313 11.680 -2.734 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.761 12.648 -2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.993 13.407 -5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.578 12.380 -5.024 1.00 0.00 H new ATOM 580 N GLY A 38 10.661 8.985 -2.939 1.00 0.00 N ATOM 581 CA GLY A 38 11.608 8.294 -2.072 1.00 0.00 C ATOM 582 C GLY A 38 11.343 8.609 -0.606 1.00 0.00 C ATOM 583 O GLY A 38 12.206 8.409 0.248 1.00 0.00 O ATOM 0 H GLY A 38 9.935 8.386 -3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.536 7.219 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.625 8.588 -2.332 1.00 0.00 H new ATOM 587 N PHE A 39 10.142 9.102 -0.320 1.00 0.00 N ATOM 588 CA PHE A 39 9.793 9.536 1.028 1.00 0.00 C ATOM 589 C PHE A 39 9.984 8.409 2.035 1.00 0.00 C ATOM 590 O PHE A 39 10.485 8.627 3.138 1.00 0.00 O ATOM 591 CB PHE A 39 8.346 10.028 1.073 1.00 0.00 C ATOM 592 CG PHE A 39 7.876 10.403 2.451 1.00 0.00 C ATOM 593 CD1 PHE A 39 8.191 11.640 2.993 1.00 0.00 C ATOM 594 CD2 PHE A 39 7.120 9.519 3.205 1.00 0.00 C ATOM 595 CE1 PHE A 39 7.758 11.985 4.260 1.00 0.00 C ATOM 596 CE2 PHE A 39 6.685 9.863 4.471 1.00 0.00 C ATOM 597 CZ PHE A 39 7.006 11.097 4.999 1.00 0.00 C ATOM 0 H PHE A 39 9.394 9.211 -1.004 1.00 0.00 H new ATOM 0 HA PHE A 39 10.459 10.356 1.296 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.245 10.893 0.417 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.695 9.249 0.676 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.780 12.341 2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.868 8.551 2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 39 8.009 12.952 4.671 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.094 9.166 5.047 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.669 11.366 5.989 1.00 0.00 H new ATOM 607 N TYR A 40 9.579 7.203 1.650 1.00 0.00 N ATOM 608 CA TYR A 40 9.540 6.076 2.574 1.00 0.00 C ATOM 609 C TYR A 40 10.893 5.380 2.651 1.00 0.00 C ATOM 610 O TYR A 40 11.058 4.401 3.379 1.00 0.00 O ATOM 611 CB TYR A 40 8.454 5.081 2.160 1.00 0.00 C ATOM 612 CG TYR A 40 7.048 5.562 2.437 1.00 0.00 C ATOM 613 CD1 TYR A 40 6.509 5.434 3.709 1.00 0.00 C ATOM 614 CD2 TYR A 40 6.296 6.131 1.420 1.00 0.00 C ATOM 615 CE1 TYR A 40 5.224 5.873 3.963 1.00 0.00 C ATOM 616 CE2 TYR A 40 5.011 6.571 1.673 1.00 0.00 C ATOM 617 CZ TYR A 40 4.476 6.439 2.950 1.00 0.00 C ATOM 618 OH TYR A 40 3.196 6.877 3.203 1.00 0.00 O ATOM 0 H TYR A 40 9.273 6.981 0.703 1.00 0.00 H new ATOM 0 HA TYR A 40 9.302 6.464 3.565 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.553 4.872 1.095 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.616 4.140 2.686 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.094 4.991 4.501 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.715 6.230 0.430 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.805 5.773 4.953 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.424 7.016 0.883 1.00 0.00 H new ATOM 0 HH TYR A 40 3.013 6.816 4.164 1.00 0.00 H new ATOM 628 N ASN A 41 11.860 5.891 1.896 1.00 0.00 N ATOM 629 CA ASN A 41 13.225 5.383 1.952 1.00 0.00 C ATOM 630 C ASN A 41 13.894 5.744 3.272 1.00 0.00 C ATOM 631 O ASN A 41 14.328 6.879 3.469 1.00 0.00 O ATOM 632 CB ASN A 41 14.037 5.904 0.781 1.00 0.00 C ATOM 633 CG ASN A 41 15.407 5.287 0.707 1.00 0.00 C ATOM 634 OD1 ASN A 41 15.969 4.869 1.726 1.00 0.00 O ATOM 635 ND2 ASN A 41 15.954 5.222 -0.481 1.00 0.00 N ATOM 0 H ASN A 41 11.723 6.658 1.237 1.00 0.00 H new ATOM 0 HA ASN A 41 13.181 4.296 1.886 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.501 5.702 -0.146 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.134 6.986 0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 41 16.882 4.813 -0.594 1.00 0.00 H new ATOM 0 HD22 ASN A 41 15.452 5.580 -1.294 1.00 0.00 H new ATOM 642 N GLY A 42 13.974 4.772 4.174 1.00 0.00 N ATOM 643 CA GLY A 42 14.588 4.987 5.479 1.00 0.00 C ATOM 644 C GLY A 42 13.542 4.989 6.586 1.00 0.00 C ATOM 645 O GLY A 42 13.872 5.126 7.765 1.00 0.00 O ATOM 0 H GLY A 42 13.621 3.827 4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.323 4.206 5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.124 5.936 5.480 1.00 0.00 H new ATOM 649 N LEU A 43 12.280 4.835 6.202 1.00 0.00 N ATOM 650 CA LEU A 43 11.192 4.730 7.166 1.00 0.00 C ATOM 651 C LEU A 43 10.991 3.288 7.615 1.00 0.00 C ATOM 652 O LEU A 43 11.115 2.357 6.818 1.00 0.00 O ATOM 653 CB LEU A 43 9.891 5.269 6.559 1.00 0.00 C ATOM 654 CG LEU A 43 9.667 6.780 6.698 1.00 0.00 C ATOM 655 CD1 LEU A 43 10.779 7.526 5.974 1.00 0.00 C ATOM 656 CD2 LEU A 43 8.304 7.146 6.132 1.00 0.00 C ATOM 0 H LEU A 43 11.985 4.780 5.227 1.00 0.00 H new ATOM 0 HA LEU A 43 11.459 5.328 8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.873 5.014 5.499 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.053 4.752 7.026 1.00 0.00 H new ATOM 0 HG LEU A 43 9.689 7.065 7.750 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.621 8.600 6.072 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.741 7.260 6.412 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.773 7.253 4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.145 8.220 6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.261 6.868 5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.527 6.612 6.680 1.00 0.00 H new ATOM 668 N THR A 44 10.683 3.108 8.895 1.00 0.00 N ATOM 669 CA THR A 44 10.657 1.782 9.498 1.00 0.00 C ATOM 670 C THR A 44 9.246 1.399 9.926 1.00 0.00 C ATOM 671 O THR A 44 8.356 2.247 9.999 1.00 0.00 O ATOM 672 CB THR A 44 11.603 1.706 10.710 1.00 0.00 C ATOM 673 OG1 THR A 44 11.088 2.517 11.775 1.00 0.00 O ATOM 674 CG2 THR A 44 12.993 2.195 10.334 1.00 0.00 C ATOM 0 H THR A 44 10.448 3.866 9.535 1.00 0.00 H new ATOM 0 HA THR A 44 10.997 1.076 8.740 1.00 0.00 H new ATOM 0 HB THR A 44 11.669 0.667 11.034 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.944 3.430 11.450 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.648 2.134 11.203 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.393 1.573 9.534 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.935 3.229 9.995 1.00 0.00 H new ATOM 682 N PHE A 45 9.047 0.115 10.208 1.00 0.00 N ATOM 683 CA PHE A 45 7.823 -0.346 10.852 1.00 0.00 C ATOM 684 C PHE A 45 7.977 -0.379 12.368 1.00 0.00 C ATOM 685 O PHE A 45 8.536 -1.324 12.924 1.00 0.00 O ATOM 686 CB PHE A 45 7.443 -1.738 10.343 1.00 0.00 C ATOM 687 CG PHE A 45 6.956 -1.751 8.923 1.00 0.00 C ATOM 688 CD1 PHE A 45 7.852 -1.847 7.867 1.00 0.00 C ATOM 689 CD2 PHE A 45 5.602 -1.667 8.637 1.00 0.00 C ATOM 690 CE1 PHE A 45 7.404 -1.858 6.560 1.00 0.00 C ATOM 691 CE2 PHE A 45 5.152 -1.680 7.331 1.00 0.00 C ATOM 692 CZ PHE A 45 6.055 -1.776 6.292 1.00 0.00 C ATOM 0 H PHE A 45 9.718 -0.624 10.000 1.00 0.00 H new ATOM 0 HA PHE A 45 7.030 0.358 10.600 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.309 -2.394 10.426 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.667 -2.151 10.987 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.911 -1.914 8.069 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.890 -1.590 9.445 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.112 -1.931 5.748 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.094 -1.615 7.123 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.705 -1.787 5.270 1.00 0.00 H new ATOM 702 N HIS A 46 7.476 0.657 13.031 1.00 0.00 N ATOM 703 CA HIS A 46 7.774 0.882 14.440 1.00 0.00 C ATOM 704 C HIS A 46 6.883 0.027 15.334 1.00 0.00 C ATOM 705 O HIS A 46 7.149 -0.126 16.526 1.00 0.00 O ATOM 706 CB HIS A 46 7.600 2.360 14.802 1.00 0.00 C ATOM 707 CG HIS A 46 6.204 2.867 14.609 1.00 0.00 C ATOM 708 ND1 HIS A 46 5.575 2.865 13.381 1.00 0.00 N ATOM 709 CD2 HIS A 46 5.318 3.394 15.485 1.00 0.00 C ATOM 710 CE1 HIS A 46 4.360 3.367 13.513 1.00 0.00 C ATOM 711 NE2 HIS A 46 4.180 3.695 14.779 1.00 0.00 N ATOM 0 H HIS A 46 6.860 1.355 12.614 1.00 0.00 H new ATOM 0 HA HIS A 46 8.812 0.595 14.606 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.890 2.507 15.843 1.00 0.00 H new ATOM 0 HB3 HIS A 46 8.281 2.956 14.195 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.476 3.549 16.542 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.637 3.488 12.720 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.332 4.106 15.170 1.00 0.00 H new ATOM 718 N ARG A 47 5.827 -0.529 14.749 1.00 0.00 N ATOM 719 CA ARG A 47 4.931 -1.419 15.477 1.00 0.00 C ATOM 720 C ARG A 47 4.602 -2.659 14.657 1.00 0.00 C ATOM 721 O ARG A 47 3.541 -2.743 14.037 1.00 0.00 O ATOM 722 CB ARG A 47 3.640 -0.699 15.841 1.00 0.00 C ATOM 723 CG ARG A 47 3.802 0.438 16.837 1.00 0.00 C ATOM 724 CD ARG A 47 4.201 -0.060 18.179 1.00 0.00 C ATOM 725 NE ARG A 47 4.255 1.011 19.161 1.00 0.00 N ATOM 726 CZ ARG A 47 5.336 1.779 19.397 1.00 0.00 C ATOM 727 NH1 ARG A 47 6.442 1.584 18.714 1.00 0.00 N ATOM 728 NH2 ARG A 47 5.284 2.730 20.313 1.00 0.00 N ATOM 0 H ARG A 47 5.571 -0.379 13.773 1.00 0.00 H new ATOM 0 HA ARG A 47 5.444 -1.726 16.389 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.192 -0.303 14.929 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.939 -1.426 16.252 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.553 1.138 16.471 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.864 0.988 16.917 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.493 -0.820 18.509 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.177 -0.541 18.112 1.00 0.00 H new ATOM 0 HE ARG A 47 3.415 1.194 19.710 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.481 0.851 18.006 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.261 2.165 18.892 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.425 2.883 20.842 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.103 3.311 20.492 1.00 0.00 H new ATOM 742 N VAL A 48 5.518 -3.622 14.656 1.00 0.00 N ATOM 743 CA VAL A 48 5.323 -4.864 13.918 1.00 0.00 C ATOM 744 C VAL A 48 4.627 -5.912 14.776 1.00 0.00 C ATOM 745 O VAL A 48 5.034 -6.170 15.909 1.00 0.00 O ATOM 746 CB VAL A 48 6.677 -5.417 13.436 1.00 0.00 C ATOM 747 CG1 VAL A 48 6.492 -6.767 12.761 1.00 0.00 C ATOM 748 CG2 VAL A 48 7.334 -4.426 12.486 1.00 0.00 C ATOM 0 H VAL A 48 6.404 -3.566 15.159 1.00 0.00 H new ATOM 0 HA VAL A 48 4.691 -4.642 13.058 1.00 0.00 H new ATOM 0 HB VAL A 48 7.328 -5.557 14.299 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.459 -7.142 12.427 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.054 -7.471 13.469 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.829 -6.657 11.903 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.291 -4.824 12.150 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.686 -4.263 11.625 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.496 -3.480 13.002 1.00 0.00 H new ATOM 758 N ILE A 49 3.575 -6.513 14.230 1.00 0.00 N ATOM 759 CA ILE A 49 2.895 -7.619 14.894 1.00 0.00 C ATOM 760 C ILE A 49 2.892 -8.867 14.021 1.00 0.00 C ATOM 761 O ILE A 49 2.041 -9.021 13.144 1.00 0.00 O ATOM 762 CB ILE A 49 1.448 -7.238 15.252 1.00 0.00 C ATOM 763 CG1 ILE A 49 1.426 -5.972 16.114 1.00 0.00 C ATOM 764 CG2 ILE A 49 0.757 -8.387 15.970 1.00 0.00 C ATOM 765 CD1 ILE A 49 0.035 -5.469 16.425 1.00 0.00 C ATOM 0 H ILE A 49 3.175 -6.252 13.329 1.00 0.00 H new ATOM 0 HA ILE A 49 3.444 -7.834 15.811 1.00 0.00 H new ATOM 0 HB ILE A 49 0.905 -7.035 14.329 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.947 -6.172 17.050 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.980 -5.186 15.602 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.265 -8.100 16.216 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.742 -9.264 15.323 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.298 -8.621 16.887 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.102 -4.571 17.039 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.484 -5.236 15.495 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.517 -6.237 16.966 1.00 0.00 H new ATOM 777 N PRO A 50 3.847 -9.758 14.265 1.00 0.00 N ATOM 778 CA PRO A 50 3.998 -10.961 13.456 1.00 0.00 C ATOM 779 C PRO A 50 2.703 -11.760 13.410 1.00 0.00 C ATOM 780 O PRO A 50 2.172 -12.162 14.445 1.00 0.00 O ATOM 781 CB PRO A 50 5.109 -11.727 14.182 1.00 0.00 C ATOM 782 CG PRO A 50 5.942 -10.660 14.806 1.00 0.00 C ATOM 783 CD PRO A 50 4.946 -9.623 15.255 1.00 0.00 C ATOM 0 HA PRO A 50 4.237 -10.753 12.413 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.701 -12.404 14.933 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.692 -12.334 13.489 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.519 -11.047 15.646 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.655 -10.244 14.094 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.598 -9.812 16.271 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.376 -8.621 15.246 1.00 0.00 H new ATOM 791 N GLY A 51 2.197 -11.988 12.203 1.00 0.00 N ATOM 792 CA GLY A 51 1.045 -12.861 12.006 1.00 0.00 C ATOM 793 C GLY A 51 -0.236 -12.054 11.846 1.00 0.00 C ATOM 794 O GLY A 51 -1.252 -12.570 11.379 1.00 0.00 O ATOM 0 H GLY A 51 2.567 -11.580 11.345 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.201 -13.480 11.122 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.948 -13.537 12.855 1.00 0.00 H new ATOM 798 N PHE A 52 -0.183 -10.785 12.234 1.00 0.00 N ATOM 799 CA PHE A 52 -1.362 -9.927 12.213 1.00 0.00 C ATOM 800 C PHE A 52 -1.079 -8.618 11.487 1.00 0.00 C ATOM 801 O PHE A 52 -0.574 -8.617 10.364 1.00 0.00 O ATOM 802 CB PHE A 52 -1.834 -9.633 13.639 1.00 0.00 C ATOM 803 CG PHE A 52 -2.221 -10.861 14.414 1.00 0.00 C ATOM 804 CD1 PHE A 52 -3.510 -11.365 14.346 1.00 0.00 C ATOM 805 CD2 PHE A 52 -1.294 -11.514 15.213 1.00 0.00 C ATOM 806 CE1 PHE A 52 -3.867 -12.492 15.059 1.00 0.00 C ATOM 807 CE2 PHE A 52 -1.648 -12.643 15.926 1.00 0.00 C ATOM 808 CZ PHE A 52 -2.934 -13.132 15.850 1.00 0.00 C ATOM 0 H PHE A 52 0.665 -10.327 12.567 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.148 -10.457 11.675 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.040 -9.112 14.174 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.688 -8.957 13.597 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.244 -10.870 13.728 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.285 -11.136 15.278 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.876 -12.873 14.998 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.916 -13.143 16.543 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.211 -14.014 16.408 1.00 0.00 H new ATOM 818 N VAL A 53 -1.406 -7.505 12.134 1.00 0.00 N ATOM 819 CA VAL A 53 -1.365 -6.201 11.484 1.00 0.00 C ATOM 820 C VAL A 53 -0.183 -5.376 11.977 1.00 0.00 C ATOM 821 O VAL A 53 -0.070 -5.086 13.168 1.00 0.00 O ATOM 822 CB VAL A 53 -2.672 -5.429 11.752 1.00 0.00 C ATOM 823 CG1 VAL A 53 -2.644 -4.077 11.056 1.00 0.00 C ATOM 824 CG2 VAL A 53 -3.863 -6.252 11.283 1.00 0.00 C ATOM 0 H VAL A 53 -1.703 -7.480 13.110 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.251 -6.369 10.413 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.767 -5.255 12.824 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.574 -3.546 11.256 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.804 -3.492 11.431 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.533 -4.223 9.982 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.784 -5.701 11.475 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.773 -6.447 10.214 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.887 -7.198 11.823 1.00 0.00 H new ATOM 834 N SER A 54 0.695 -5.001 11.055 1.00 0.00 N ATOM 835 CA SER A 54 1.870 -4.206 11.393 1.00 0.00 C ATOM 836 C SER A 54 1.710 -2.764 10.933 1.00 0.00 C ATOM 837 O SER A 54 1.057 -2.491 9.926 1.00 0.00 O ATOM 838 CB SER A 54 3.110 -4.813 10.764 1.00 0.00 C ATOM 839 OG SER A 54 3.383 -6.075 11.309 1.00 0.00 O ATOM 0 H SER A 54 0.616 -5.235 10.065 1.00 0.00 H new ATOM 0 HA SER A 54 1.977 -4.209 12.478 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.970 -4.901 9.687 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.963 -4.153 10.922 1.00 0.00 H new ATOM 0 HG SER A 54 3.961 -6.577 10.698 1.00 0.00 H new ATOM 845 N GLN A 55 2.312 -1.841 11.676 1.00 0.00 N ATOM 846 CA GLN A 55 2.222 -0.421 11.357 1.00 0.00 C ATOM 847 C GLN A 55 3.606 0.194 11.192 1.00 0.00 C ATOM 848 O GLN A 55 4.507 -0.055 11.993 1.00 0.00 O ATOM 849 CB GLN A 55 1.444 0.325 12.444 1.00 0.00 C ATOM 850 CG GLN A 55 1.219 1.798 12.148 1.00 0.00 C ATOM 851 CD GLN A 55 0.486 2.508 13.271 1.00 0.00 C ATOM 852 OE1 GLN A 55 0.152 1.902 14.293 1.00 0.00 O ATOM 853 NE2 GLN A 55 0.230 3.798 13.087 1.00 0.00 N ATOM 0 H GLN A 55 2.868 -2.052 12.505 1.00 0.00 H new ATOM 0 HA GLN A 55 1.689 -0.326 10.411 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.477 -0.159 12.580 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.982 0.233 13.388 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.181 2.283 11.981 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.648 1.897 11.225 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.525 4.259 12.226 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.261 4.328 13.807 1.00 0.00 H new ATOM 862 N GLY A 56 3.768 1.001 10.149 1.00 0.00 N ATOM 863 CA GLY A 56 5.054 1.622 9.853 1.00 0.00 C ATOM 864 C GLY A 56 4.871 2.993 9.216 1.00 0.00 C ATOM 865 O GLY A 56 3.747 3.417 8.946 1.00 0.00 O ATOM 0 H GLY A 56 3.024 1.241 9.494 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.633 1.719 10.771 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.625 0.980 9.182 1.00 0.00 H new ATOM 869 N GLY A 57 5.980 3.683 8.978 1.00 0.00 N ATOM 870 CA GLY A 57 5.942 5.023 8.404 1.00 0.00 C ATOM 871 C GLY A 57 6.712 6.014 9.266 1.00 0.00 C ATOM 872 O GLY A 57 6.451 7.217 9.231 1.00 0.00 O ATOM 0 H GLY A 57 6.919 3.336 9.174 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.367 5.004 7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.907 5.350 8.306 1.00 0.00 H new ATOM 876 N CYS A 58 7.663 5.503 10.041 1.00 0.00 N ATOM 877 CA CYS A 58 8.458 6.341 10.932 1.00 0.00 C ATOM 878 C CYS A 58 9.896 6.453 10.445 1.00 0.00 C ATOM 879 O CYS A 58 10.639 5.472 10.442 1.00 0.00 O ATOM 880 CB CYS A 58 8.448 5.774 12.353 1.00 0.00 C ATOM 881 SG CYS A 58 6.829 5.821 13.156 1.00 0.00 S ATOM 0 H CYS A 58 7.902 4.512 10.070 1.00 0.00 H new ATOM 0 HA CYS A 58 8.010 7.335 10.934 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.797 4.742 12.323 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.159 6.333 12.961 1.00 0.00 H new ATOM 0 HG CYS A 58 6.381 7.041 13.158 1.00 0.00 H new ATOM 887 N PRO A 59 10.284 7.655 10.034 1.00 0.00 N ATOM 888 CA PRO A 59 11.633 7.897 9.537 1.00 0.00 C ATOM 889 C PRO A 59 12.679 7.515 10.576 1.00 0.00 C ATOM 890 O PRO A 59 12.914 8.252 11.534 1.00 0.00 O ATOM 891 CB PRO A 59 11.634 9.404 9.261 1.00 0.00 C ATOM 892 CG PRO A 59 10.205 9.726 8.984 1.00 0.00 C ATOM 893 CD PRO A 59 9.433 8.856 9.941 1.00 0.00 C ATOM 0 HA PRO A 59 11.882 7.305 8.656 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.010 9.965 10.116 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.270 9.653 8.412 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.996 10.783 9.151 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.942 9.509 7.949 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.301 9.336 10.910 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.438 8.621 9.564 1.00 0.00 H new ATOM 901 N ARG A 60 13.307 6.360 10.381 1.00 0.00 N ATOM 902 CA ARG A 60 14.261 5.835 11.348 1.00 0.00 C ATOM 903 C ARG A 60 13.680 5.840 12.756 1.00 0.00 C ATOM 904 O ARG A 60 14.405 5.999 13.737 1.00 0.00 O ATOM 905 CB ARG A 60 15.546 6.650 11.331 1.00 0.00 C ATOM 906 CG ARG A 60 16.295 6.634 10.007 1.00 0.00 C ATOM 907 CD ARG A 60 17.516 7.480 10.057 1.00 0.00 C ATOM 908 NE ARG A 60 18.118 7.641 8.743 1.00 0.00 N ATOM 909 CZ ARG A 60 19.193 8.409 8.484 1.00 0.00 C ATOM 910 NH1 ARG A 60 19.772 9.079 9.455 1.00 0.00 N ATOM 911 NH2 ARG A 60 19.668 8.489 7.253 1.00 0.00 N ATOM 0 H ARG A 60 13.171 5.770 9.560 1.00 0.00 H new ATOM 0 HA ARG A 60 14.481 4.806 11.063 1.00 0.00 H new ATOM 0 HB2 ARG A 60 15.308 7.683 11.585 1.00 0.00 H new ATOM 0 HB3 ARG A 60 16.208 6.274 12.111 1.00 0.00 H new ATOM 0 HG2 ARG A 60 16.572 5.610 9.758 1.00 0.00 H new ATOM 0 HG3 ARG A 60 15.638 6.989 9.213 1.00 0.00 H new ATOM 0 HD2 ARG A 60 17.263 8.459 10.463 1.00 0.00 H new ATOM 0 HD3 ARG A 60 18.241 7.031 10.736 1.00 0.00 H new ATOM 0 HE ARG A 60 17.696 7.137 7.963 1.00 0.00 H new ATOM 0 HH11 ARG A 60 19.407 9.017 10.405 1.00 0.00 H new ATOM 0 HH12 ARG A 60 20.586 9.661 9.258 1.00 0.00 H new ATOM 0 HH21 ARG A 60 19.220 7.969 6.499 1.00 0.00 H new ATOM 0 HH22 ARG A 60 20.482 9.071 7.057 1.00 0.00 H new ATOM 925 N GLY A 61 12.366 5.667 12.848 1.00 0.00 N ATOM 926 CA GLY A 61 11.689 5.614 14.138 1.00 0.00 C ATOM 927 C GLY A 61 11.581 6.999 14.762 1.00 0.00 C ATOM 928 O GLY A 61 11.587 7.142 15.984 1.00 0.00 O ATOM 0 H GLY A 61 11.748 5.561 12.043 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.692 5.191 14.011 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.234 4.951 14.810 1.00 0.00 H new ATOM 932 N ASN A 62 11.481 8.017 13.915 1.00 0.00 N ATOM 933 CA ASN A 62 11.335 9.391 14.381 1.00 0.00 C ATOM 934 C ASN A 62 9.873 9.813 14.404 1.00 0.00 C ATOM 935 O ASN A 62 9.559 10.996 14.533 1.00 0.00 O ATOM 936 CB ASN A 62 12.150 10.337 13.520 1.00 0.00 C ATOM 937 CG ASN A 62 13.631 10.187 13.737 1.00 0.00 C ATOM 938 OD1 ASN A 62 14.073 9.759 14.810 1.00 0.00 O ATOM 939 ND2 ASN A 62 14.406 10.530 12.740 1.00 0.00 N ATOM 0 H ASN A 62 11.498 7.916 12.900 1.00 0.00 H new ATOM 0 HA ASN A 62 11.713 9.439 15.402 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.920 10.156 12.470 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.857 11.364 13.738 1.00 0.00 H new ATOM 0 HD21 ASN A 62 15.419 10.449 12.830 1.00 0.00 H new ATOM 0 HD22 ASN A 62 13.997 10.878 11.873 1.00 0.00 H new ATOM 946 N GLY A 63 8.979 8.837 14.278 1.00 0.00 N ATOM 947 CA GLY A 63 7.551 9.079 14.449 1.00 0.00 C ATOM 948 C GLY A 63 6.898 9.478 13.133 1.00 0.00 C ATOM 949 O GLY A 63 6.554 8.624 12.315 1.00 0.00 O ATOM 0 H GLY A 63 9.219 7.870 14.058 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.071 8.181 14.838 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.399 9.867 15.187 1.00 0.00 H new ATOM 953 N THR A 64 6.728 10.781 12.932 1.00 0.00 N ATOM 954 CA THR A 64 6.008 11.291 11.771 1.00 0.00 C ATOM 955 C THR A 64 6.929 12.092 10.860 1.00 0.00 C ATOM 956 O THR A 64 7.505 13.099 11.273 1.00 0.00 O ATOM 957 CB THR A 64 4.815 12.165 12.199 1.00 0.00 C ATOM 958 OG1 THR A 64 3.908 11.387 12.991 1.00 0.00 O ATOM 959 CG2 THR A 64 4.083 12.704 10.980 1.00 0.00 C ATOM 0 H THR A 64 7.080 11.504 13.560 1.00 0.00 H new ATOM 0 HA THR A 64 5.633 10.429 11.219 1.00 0.00 H new ATOM 0 HB THR A 64 5.191 13.004 12.784 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.150 11.945 13.264 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.243 13.319 11.303 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.766 13.307 10.383 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.714 11.872 10.380 1.00 0.00 H new ATOM 967 N GLY A 65 7.065 11.639 9.619 1.00 0.00 N ATOM 968 CA GLY A 65 7.848 12.360 8.622 1.00 0.00 C ATOM 969 C GLY A 65 7.052 13.512 8.024 1.00 0.00 C ATOM 970 O GLY A 65 5.821 13.509 8.051 1.00 0.00 O ATOM 0 H GLY A 65 6.643 10.775 9.279 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.760 12.744 9.080 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.152 11.675 7.830 1.00 0.00 H new ATOM 974 N ASP A 66 7.762 14.497 7.482 1.00 0.00 N ATOM 975 CA ASP A 66 7.123 15.663 6.884 1.00 0.00 C ATOM 976 C ASP A 66 6.566 15.338 5.504 1.00 0.00 C ATOM 977 O ASP A 66 7.118 15.757 4.487 1.00 0.00 O ATOM 978 CB ASP A 66 8.114 16.824 6.780 1.00 0.00 C ATOM 979 CG ASP A 66 7.462 18.122 6.323 1.00 0.00 C ATOM 980 OD1 ASP A 66 6.258 18.154 6.220 1.00 0.00 O ATOM 981 OD2 ASP A 66 8.173 19.067 6.080 1.00 0.00 O ATOM 0 H ASP A 66 8.781 14.510 7.445 1.00 0.00 H new ATOM 0 HA ASP A 66 6.296 15.955 7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.584 16.982 7.751 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.907 16.556 6.082 1.00 0.00 H new ATOM 986 N ALA A 67 5.469 14.589 5.476 1.00 0.00 N ATOM 987 CA ALA A 67 4.814 14.236 4.221 1.00 0.00 C ATOM 988 C ALA A 67 4.142 15.448 3.590 1.00 0.00 C ATOM 989 O ALA A 67 4.246 15.671 2.384 1.00 0.00 O ATOM 990 CB ALA A 67 3.799 13.126 4.448 1.00 0.00 C ATOM 0 H ALA A 67 5.014 14.214 6.308 1.00 0.00 H new ATOM 0 HA ALA A 67 5.579 13.879 3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.319 12.873 3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.305 12.246 4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.045 13.462 5.160 1.00 0.00 H new ATOM 996 N GLY A 68 3.452 16.229 4.414 1.00 0.00 N ATOM 997 CA GLY A 68 2.718 17.393 3.930 1.00 0.00 C ATOM 998 C GLY A 68 1.337 17.001 3.422 1.00 0.00 C ATOM 999 O GLY A 68 0.676 17.777 2.731 1.00 0.00 O ATOM 0 H GLY A 68 3.385 16.077 5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.619 18.124 4.733 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.280 17.874 3.129 1.00 0.00 H new ATOM 1003 N TYR A 69 0.906 15.792 3.766 1.00 0.00 N ATOM 1004 CA TYR A 69 -0.393 15.290 3.334 1.00 0.00 C ATOM 1005 C TYR A 69 -1.238 14.853 4.524 1.00 0.00 C ATOM 1006 O TYR A 69 -0.826 14.000 5.311 1.00 0.00 O ATOM 1007 CB TYR A 69 -0.218 14.128 2.353 1.00 0.00 C ATOM 1008 CG TYR A 69 0.505 14.508 1.081 1.00 0.00 C ATOM 1009 CD1 TYR A 69 -0.153 15.233 0.099 1.00 0.00 C ATOM 1010 CD2 TYR A 69 1.827 14.131 0.895 1.00 0.00 C ATOM 1011 CE1 TYR A 69 0.507 15.581 -1.063 1.00 0.00 C ATOM 1012 CE2 TYR A 69 2.488 14.477 -0.268 1.00 0.00 C ATOM 1013 CZ TYR A 69 1.822 15.205 -1.249 1.00 0.00 C ATOM 1014 OH TYR A 69 2.480 15.551 -2.407 1.00 0.00 O ATOM 0 H TYR A 69 1.438 15.141 4.343 1.00 0.00 H new ATOM 0 HA TYR A 69 -0.915 16.103 2.828 1.00 0.00 H new ATOM 0 HB2 TYR A 69 0.332 13.327 2.847 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.200 13.730 2.097 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -1.183 15.526 0.243 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.340 13.567 1.660 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.006 16.147 -1.826 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.517 14.184 -0.415 1.00 0.00 H new ATOM 0 HH TYR A 69 3.398 15.209 -2.376 1.00 0.00 H new ATOM 1024 N THR A 70 -2.422 15.443 4.650 1.00 0.00 N ATOM 1025 CA THR A 70 -3.350 15.078 5.714 1.00 0.00 C ATOM 1026 C THR A 70 -4.735 14.772 5.155 1.00 0.00 C ATOM 1027 O THR A 70 -5.290 15.555 4.384 1.00 0.00 O ATOM 1028 CB THR A 70 -3.452 16.195 6.768 1.00 0.00 C ATOM 1029 OG1 THR A 70 -2.160 16.434 7.340 1.00 0.00 O ATOM 1030 CG2 THR A 70 -4.425 15.801 7.870 1.00 0.00 C ATOM 0 H THR A 70 -2.762 16.177 4.028 1.00 0.00 H new ATOM 0 HA THR A 70 -2.958 14.180 6.191 1.00 0.00 H new ATOM 0 HB THR A 70 -3.816 17.101 6.283 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.225 17.146 8.010 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.485 16.602 8.606 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.412 15.629 7.440 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.076 14.889 8.354 1.00 0.00 H new ATOM 1038 N ILE A 71 -5.288 13.631 5.550 1.00 0.00 N ATOM 1039 CA ILE A 71 -6.549 13.157 4.993 1.00 0.00 C ATOM 1040 C ILE A 71 -7.569 12.885 6.090 1.00 0.00 C ATOM 1041 O ILE A 71 -7.208 12.682 7.249 1.00 0.00 O ATOM 1042 CB ILE A 71 -6.337 11.881 4.160 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -5.801 10.750 5.043 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -5.388 12.151 3.002 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -5.819 9.394 4.376 1.00 0.00 C ATOM 0 H ILE A 71 -4.882 13.016 6.255 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.933 13.945 4.345 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.298 11.572 3.750 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.779 10.986 5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.394 10.703 5.957 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.250 11.237 2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.808 12.926 2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.425 12.483 3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.425 8.645 5.063 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.843 9.135 4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.202 9.422 3.478 1.00 0.00 H new ATOM 1057 N PRO A 72 -8.845 12.882 5.718 1.00 0.00 N ATOM 1058 CA PRO A 72 -9.916 12.572 6.657 1.00 0.00 C ATOM 1059 C PRO A 72 -10.172 11.072 6.724 1.00 0.00 C ATOM 1060 O PRO A 72 -9.519 10.289 6.032 1.00 0.00 O ATOM 1061 CB PRO A 72 -11.116 13.323 6.073 1.00 0.00 C ATOM 1062 CG PRO A 72 -10.958 13.175 4.598 1.00 0.00 C ATOM 1063 CD PRO A 72 -9.470 13.227 4.374 1.00 0.00 C ATOM 0 HA PRO A 72 -9.689 12.866 7.682 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.058 12.897 6.417 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.113 14.372 6.371 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -11.380 12.234 4.246 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.469 13.974 4.061 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.164 12.518 3.605 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.158 14.216 4.038 1.00 0.00 H new ATOM 1071 N CYS A 73 -11.125 10.675 7.561 1.00 0.00 N ATOM 1072 CA CYS A 73 -11.610 9.300 7.574 1.00 0.00 C ATOM 1073 C CYS A 73 -12.553 9.037 6.407 1.00 0.00 C ATOM 1074 O CYS A 73 -13.674 9.543 6.376 1.00 0.00 O ATOM 1075 CB CYS A 73 -12.335 8.998 8.885 1.00 0.00 C ATOM 1076 SG CYS A 73 -13.048 7.338 8.970 1.00 0.00 S ATOM 0 H CYS A 73 -11.577 11.287 8.240 1.00 0.00 H new ATOM 0 HA CYS A 73 -10.742 8.647 7.480 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -11.636 9.124 9.712 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -13.130 9.731 9.025 1.00 0.00 H new ATOM 0 HG CYS A 73 -13.638 7.177 10.117 1.00 0.00 H new ATOM 1082 N GLU A 74 -12.090 8.242 5.447 1.00 0.00 N ATOM 1083 CA GLU A 74 -12.859 7.975 4.238 1.00 0.00 C ATOM 1084 C GLU A 74 -13.558 6.625 4.316 1.00 0.00 C ATOM 1085 O GLU A 74 -13.025 5.670 4.881 1.00 0.00 O ATOM 1086 CB GLU A 74 -11.950 8.020 3.008 1.00 0.00 C ATOM 1087 CG GLU A 74 -12.684 7.913 1.679 1.00 0.00 C ATOM 1088 CD GLU A 74 -13.749 8.960 1.513 1.00 0.00 C ATOM 1089 OE1 GLU A 74 -13.408 10.107 1.341 1.00 0.00 O ATOM 1090 OE2 GLU A 74 -14.906 8.615 1.558 1.00 0.00 O ATOM 0 H GLU A 74 -11.186 7.772 5.484 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.620 8.750 4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.385 8.952 3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.227 7.207 3.076 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.965 8.001 0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.137 6.925 1.599 1.00 0.00 H new ATOM 1097 N THR A 75 -14.756 6.549 3.743 1.00 0.00 N ATOM 1098 CA THR A 75 -15.525 5.312 3.737 1.00 0.00 C ATOM 1099 C THR A 75 -15.998 4.963 2.332 1.00 0.00 C ATOM 1100 O THR A 75 -16.472 3.855 2.083 1.00 0.00 O ATOM 1101 CB THR A 75 -16.738 5.409 4.681 1.00 0.00 C ATOM 1102 OG1 THR A 75 -17.610 6.457 4.237 1.00 0.00 O ATOM 1103 CG2 THR A 75 -16.285 5.702 6.104 1.00 0.00 C ATOM 0 H THR A 75 -15.214 7.332 3.277 1.00 0.00 H new ATOM 0 HA THR A 75 -14.864 4.521 4.091 1.00 0.00 H new ATOM 0 HB THR A 75 -17.267 4.456 4.667 1.00 0.00 H new ATOM 0 HG1 THR A 75 -18.382 6.516 4.837 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.155 5.767 6.757 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.631 4.901 6.450 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.743 6.648 6.126 1.00 0.00 H new ATOM 1111 N ASP A 76 -15.866 5.916 1.415 1.00 0.00 N ATOM 1112 CA ASP A 76 -16.320 5.727 0.043 1.00 0.00 C ATOM 1113 C ASP A 76 -15.141 5.600 -0.914 1.00 0.00 C ATOM 1114 O ASP A 76 -14.075 6.170 -0.680 1.00 0.00 O ATOM 1115 CB ASP A 76 -17.215 6.890 -0.392 1.00 0.00 C ATOM 1116 CG ASP A 76 -18.535 6.938 0.365 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -19.185 5.922 0.451 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -18.881 7.988 0.850 1.00 0.00 O ATOM 0 H ASP A 76 -15.448 6.828 1.598 1.00 0.00 H new ATOM 0 HA ASP A 76 -16.895 4.801 0.010 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -16.681 7.828 -0.241 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -17.417 6.806 -1.460 1.00 0.00 H new ATOM 1123 N ASN A 77 -15.339 4.850 -1.993 1.00 0.00 N ATOM 1124 CA ASN A 77 -16.653 4.309 -2.320 1.00 0.00 C ATOM 1125 C ASN A 77 -16.772 2.853 -1.890 1.00 0.00 C ATOM 1126 O ASN A 77 -17.875 2.340 -1.697 1.00 0.00 O ATOM 1127 CB ASN A 77 -16.936 4.453 -3.804 1.00 0.00 C ATOM 1128 CG ASN A 77 -17.108 5.887 -4.223 1.00 0.00 C ATOM 1129 OD1 ASN A 77 -18.112 6.527 -3.890 1.00 0.00 O ATOM 1130 ND2 ASN A 77 -16.148 6.402 -4.948 1.00 0.00 N ATOM 0 H ASN A 77 -14.605 4.603 -2.657 1.00 0.00 H new ATOM 0 HA ASN A 77 -17.398 4.883 -1.769 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -16.118 4.008 -4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -17.838 3.894 -4.054 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -16.210 7.370 -5.263 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -15.338 5.835 -5.198 1.00 0.00 H new ATOM 1137 N ASN A 78 -15.630 2.191 -1.740 1.00 0.00 N ATOM 1138 CA ASN A 78 -15.606 0.768 -1.423 1.00 0.00 C ATOM 1139 C ASN A 78 -15.383 0.539 0.067 1.00 0.00 C ATOM 1140 O ASN A 78 -14.735 1.342 0.738 1.00 0.00 O ATOM 1141 CB ASN A 78 -14.540 0.057 -2.237 1.00 0.00 C ATOM 1142 CG ASN A 78 -14.890 -0.030 -3.696 1.00 0.00 C ATOM 1143 OD1 ASN A 78 -16.070 -0.002 -4.067 1.00 0.00 O ATOM 1144 ND2 ASN A 78 -13.889 -0.133 -4.532 1.00 0.00 N ATOM 0 H ASN A 78 -14.708 2.618 -1.833 1.00 0.00 H new ATOM 0 HA ASN A 78 -16.578 0.351 -1.685 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.592 0.583 -2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.396 -0.948 -1.841 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -14.066 -0.194 -5.535 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.931 -0.152 -4.181 1.00 0.00 H new ATOM 1151 N PRO A 79 -15.924 -0.561 0.580 1.00 0.00 N ATOM 1152 CA PRO A 79 -15.751 -0.917 1.982 1.00 0.00 C ATOM 1153 C PRO A 79 -14.277 -0.957 2.364 1.00 0.00 C ATOM 1154 O PRO A 79 -13.441 -1.439 1.599 1.00 0.00 O ATOM 1155 CB PRO A 79 -16.394 -2.306 2.066 1.00 0.00 C ATOM 1156 CG PRO A 79 -17.421 -2.300 0.987 1.00 0.00 C ATOM 1157 CD PRO A 79 -16.778 -1.532 -0.137 1.00 0.00 C ATOM 0 HA PRO A 79 -16.200 -0.198 2.668 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.658 -3.095 1.911 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.845 -2.478 3.044 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -17.680 -3.313 0.679 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -18.343 -1.822 1.318 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -16.194 -2.181 -0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -17.519 -1.035 -0.763 1.00 0.00 H new ATOM 1165 N HIS A 80 -13.964 -0.446 3.550 1.00 0.00 N ATOM 1166 CA HIS A 80 -12.585 -0.390 4.019 1.00 0.00 C ATOM 1167 C HIS A 80 -12.355 -1.362 5.169 1.00 0.00 C ATOM 1168 O HIS A 80 -11.985 -0.959 6.272 1.00 0.00 O ATOM 1169 CB HIS A 80 -12.222 1.031 4.465 1.00 0.00 C ATOM 1170 CG HIS A 80 -12.135 2.011 3.337 1.00 0.00 C ATOM 1171 ND1 HIS A 80 -12.372 3.359 3.503 1.00 0.00 N ATOM 1172 CD2 HIS A 80 -11.838 1.839 2.027 1.00 0.00 C ATOM 1173 CE1 HIS A 80 -12.223 3.975 2.342 1.00 0.00 C ATOM 1174 NE2 HIS A 80 -11.900 3.074 1.432 1.00 0.00 N ATOM 0 H HIS A 80 -14.647 -0.065 4.204 1.00 0.00 H new ATOM 0 HA HIS A 80 -11.943 -0.678 3.186 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.967 1.379 5.181 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -11.266 1.005 4.987 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -12.623 3.810 4.383 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -11.597 0.905 1.541 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.345 5.034 2.168 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -11.725 3.265 0.446 1.00 0.00 H new ATOM 1181 N ARG A 81 -12.577 -2.646 4.905 1.00 0.00 N ATOM 1182 CA ARG A 81 -12.307 -3.687 5.888 1.00 0.00 C ATOM 1183 C ARG A 81 -10.830 -4.063 5.902 1.00 0.00 C ATOM 1184 O ARG A 81 -10.155 -4.001 4.875 1.00 0.00 O ATOM 1185 CB ARG A 81 -13.140 -4.928 5.597 1.00 0.00 C ATOM 1186 CG ARG A 81 -14.643 -4.728 5.706 1.00 0.00 C ATOM 1187 CD ARG A 81 -15.387 -5.974 5.391 1.00 0.00 C ATOM 1188 NE ARG A 81 -15.144 -7.016 6.377 1.00 0.00 N ATOM 1189 CZ ARG A 81 -15.455 -8.315 6.210 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -16.021 -8.717 5.093 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -15.193 -9.186 7.169 1.00 0.00 N ATOM 0 H ARG A 81 -12.944 -2.990 4.017 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.577 -3.290 6.867 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.906 -5.277 4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.842 -5.718 6.286 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.894 -4.399 6.714 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.955 -3.936 5.025 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.454 -5.758 5.347 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.093 -6.332 4.404 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.707 -6.743 7.257 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.224 -8.045 4.353 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.257 -9.701 4.966 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -14.755 -8.874 8.036 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -15.429 -10.170 7.042 1.00 0.00 H new ATOM 1205 N HIS A 82 -10.336 -4.454 7.071 1.00 0.00 N ATOM 1206 CA HIS A 82 -8.945 -4.866 7.215 1.00 0.00 C ATOM 1207 C HIS A 82 -8.797 -6.374 7.046 1.00 0.00 C ATOM 1208 O HIS A 82 -8.554 -7.094 8.014 1.00 0.00 O ATOM 1209 CB HIS A 82 -8.393 -4.443 8.580 1.00 0.00 C ATOM 1210 CG HIS A 82 -8.117 -2.976 8.688 1.00 0.00 C ATOM 1211 ND1 HIS A 82 -9.091 -2.019 8.492 1.00 0.00 N ATOM 1212 CD2 HIS A 82 -6.977 -2.300 8.971 1.00 0.00 C ATOM 1213 CE1 HIS A 82 -8.562 -0.818 8.651 1.00 0.00 C ATOM 1214 NE2 HIS A 82 -7.281 -0.962 8.941 1.00 0.00 N ATOM 0 H HIS A 82 -10.879 -4.494 7.934 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.373 -4.371 6.430 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -9.105 -4.728 9.354 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.472 -4.993 8.776 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -10.066 -2.208 8.261 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.010 -2.733 9.181 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.087 0.121 8.559 1.00 0.00 H new ATOM 1221 N VAL A 83 -8.944 -6.843 5.812 1.00 0.00 N ATOM 1222 CA VAL A 83 -8.861 -8.268 5.520 1.00 0.00 C ATOM 1223 C VAL A 83 -7.445 -8.669 5.127 1.00 0.00 C ATOM 1224 O VAL A 83 -6.514 -7.871 5.227 1.00 0.00 O ATOM 1225 CB VAL A 83 -9.832 -8.638 4.382 1.00 0.00 C ATOM 1226 CG1 VAL A 83 -11.265 -8.321 4.780 1.00 0.00 C ATOM 1227 CG2 VAL A 83 -9.447 -7.893 3.112 1.00 0.00 C ATOM 0 H VAL A 83 -9.121 -6.256 4.997 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.137 -8.808 6.426 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.764 -9.709 4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.937 -8.589 3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.530 -8.891 5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -11.357 -7.256 4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.137 -8.159 2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.495 -6.819 3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.432 -8.167 2.823 1.00 0.00 H new ATOM 1237 N THR A 84 -7.290 -9.910 4.678 1.00 0.00 N ATOM 1238 CA THR A 84 -5.973 -10.451 4.362 1.00 0.00 C ATOM 1239 C THR A 84 -5.233 -9.557 3.377 1.00 0.00 C ATOM 1240 O THR A 84 -5.614 -9.452 2.211 1.00 0.00 O ATOM 1241 CB THR A 84 -6.084 -11.875 3.786 1.00 0.00 C ATOM 1242 OG1 THR A 84 -6.759 -12.722 4.724 1.00 0.00 O ATOM 1243 CG2 THR A 84 -4.702 -12.443 3.501 1.00 0.00 C ATOM 0 H THR A 84 -8.061 -10.560 4.525 1.00 0.00 H new ATOM 0 HA THR A 84 -5.407 -10.490 5.293 1.00 0.00 H new ATOM 0 HB THR A 84 -6.648 -11.831 2.854 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.830 -13.627 4.355 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.799 -13.450 3.095 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.189 -11.808 2.779 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.126 -12.479 4.425 1.00 0.00 H new ATOM 1251 N GLY A 85 -4.171 -8.914 3.853 1.00 0.00 N ATOM 1252 CA GLY A 85 -3.261 -8.186 2.976 1.00 0.00 C ATOM 1253 C GLY A 85 -3.604 -6.703 2.933 1.00 0.00 C ATOM 1254 O GLY A 85 -2.845 -5.896 2.396 1.00 0.00 O ATOM 0 H GLY A 85 -3.920 -8.882 4.841 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.236 -8.315 3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.311 -8.603 1.970 1.00 0.00 H new ATOM 1258 N ALA A 86 -4.753 -6.349 3.501 1.00 0.00 N ATOM 1259 CA ALA A 86 -5.275 -4.993 3.393 1.00 0.00 C ATOM 1260 C ALA A 86 -4.252 -3.969 3.869 1.00 0.00 C ATOM 1261 O ALA A 86 -3.492 -4.224 4.803 1.00 0.00 O ATOM 1262 CB ALA A 86 -6.566 -4.858 4.188 1.00 0.00 C ATOM 0 H ALA A 86 -5.340 -6.984 4.041 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.485 -4.796 2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.944 -3.840 4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.307 -5.556 3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.372 -5.082 5.237 1.00 0.00 H new ATOM 1268 N MET A 87 -4.238 -2.810 3.219 1.00 0.00 N ATOM 1269 CA MET A 87 -3.371 -1.712 3.631 1.00 0.00 C ATOM 1270 C MET A 87 -4.163 -0.424 3.817 1.00 0.00 C ATOM 1271 O MET A 87 -4.823 0.048 2.890 1.00 0.00 O ATOM 1272 CB MET A 87 -2.255 -1.510 2.609 1.00 0.00 C ATOM 1273 CG MET A 87 -1.311 -2.695 2.462 1.00 0.00 C ATOM 1274 SD MET A 87 -0.077 -2.446 1.171 1.00 0.00 S ATOM 1275 CE MET A 87 0.834 -1.057 1.838 1.00 0.00 C ATOM 0 H MET A 87 -4.817 -2.607 2.405 1.00 0.00 H new ATOM 0 HA MET A 87 -2.927 -1.972 4.592 1.00 0.00 H new ATOM 0 HB2 MET A 87 -2.703 -1.296 1.639 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.674 -0.632 2.893 1.00 0.00 H new ATOM 0 HG2 MET A 87 -0.806 -2.872 3.412 1.00 0.00 H new ATOM 0 HG3 MET A 87 -1.891 -3.590 2.237 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.881 -1.135 1.546 1.00 0.00 H new ATOM 0 HE2 MET A 87 0.417 -0.128 1.449 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.759 -1.061 2.925 1.00 0.00 H new ATOM 1285 N SER A 88 -4.093 0.140 5.018 1.00 0.00 N ATOM 1286 CA SER A 88 -4.864 1.331 5.350 1.00 0.00 C ATOM 1287 C SER A 88 -3.961 2.449 5.854 1.00 0.00 C ATOM 1288 O SER A 88 -2.883 2.195 6.391 1.00 0.00 O ATOM 1289 CB SER A 88 -5.908 1.001 6.398 1.00 0.00 C ATOM 1290 OG SER A 88 -5.306 0.608 7.601 1.00 0.00 O ATOM 0 H SER A 88 -3.509 -0.209 5.778 1.00 0.00 H new ATOM 0 HA SER A 88 -5.359 1.675 4.442 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.542 1.871 6.572 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.555 0.203 6.033 1.00 0.00 H new ATOM 0 HG SER A 88 -5.975 0.186 8.179 1.00 0.00 H new ATOM 1296 N MET A 89 -4.407 3.688 5.679 1.00 0.00 N ATOM 1297 CA MET A 89 -3.684 4.844 6.195 1.00 0.00 C ATOM 1298 C MET A 89 -4.137 5.192 7.607 1.00 0.00 C ATOM 1299 O MET A 89 -5.334 5.302 7.875 1.00 0.00 O ATOM 1300 CB MET A 89 -3.868 6.041 5.265 1.00 0.00 C ATOM 1301 CG MET A 89 -3.058 7.270 5.653 1.00 0.00 C ATOM 1302 SD MET A 89 -1.279 6.998 5.531 1.00 0.00 S ATOM 1303 CE MET A 89 -1.080 6.854 3.758 1.00 0.00 C ATOM 0 H MET A 89 -5.268 3.918 5.182 1.00 0.00 H new ATOM 0 HA MET A 89 -2.625 4.590 6.237 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.593 5.745 4.253 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.924 6.309 5.243 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.339 8.103 5.009 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.308 7.558 6.674 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.030 6.986 3.498 1.00 0.00 H new ATOM 0 HE2 MET A 89 -1.414 5.868 3.433 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.675 7.620 3.262 1.00 0.00 H new ATOM 1313 N ALA A 90 -3.175 5.364 8.507 1.00 0.00 N ATOM 1314 CA ALA A 90 -3.475 5.615 9.911 1.00 0.00 C ATOM 1315 C ALA A 90 -4.104 6.988 10.103 1.00 0.00 C ATOM 1316 O ALA A 90 -3.609 7.987 9.582 1.00 0.00 O ATOM 1317 CB ALA A 90 -2.214 5.487 10.753 1.00 0.00 C ATOM 0 H ALA A 90 -2.179 5.334 8.288 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.196 4.866 10.240 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.454 5.677 11.799 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.809 4.480 10.651 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.474 6.212 10.413 1.00 0.00 H new ATOM 1323 N HIS A 91 -5.199 7.032 10.856 1.00 0.00 N ATOM 1324 CA HIS A 91 -5.820 8.296 11.232 1.00 0.00 C ATOM 1325 C HIS A 91 -6.731 8.124 12.441 1.00 0.00 C ATOM 1326 O HIS A 91 -6.846 7.030 12.993 1.00 0.00 O ATOM 1327 CB HIS A 91 -6.620 8.876 10.061 1.00 0.00 C ATOM 1328 CG HIS A 91 -7.703 7.970 9.565 1.00 0.00 C ATOM 1329 ND1 HIS A 91 -8.868 7.748 10.270 1.00 0.00 N ATOM 1330 CD2 HIS A 91 -7.799 7.230 8.436 1.00 0.00 C ATOM 1331 CE1 HIS A 91 -9.634 6.910 9.593 1.00 0.00 C ATOM 1332 NE2 HIS A 91 -9.009 6.580 8.479 1.00 0.00 N ATOM 0 H HIS A 91 -5.674 6.205 11.218 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.021 8.989 11.495 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.063 9.823 10.369 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.938 9.096 9.240 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -9.101 8.165 11.171 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.063 7.163 7.649 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.607 6.555 9.900 1.00 0.00 H new ATOM 1339 N ARG A 92 -7.377 9.212 12.848 1.00 0.00 N ATOM 1340 CA ARG A 92 -8.279 9.183 13.993 1.00 0.00 C ATOM 1341 C ARG A 92 -9.606 9.856 13.666 1.00 0.00 C ATOM 1342 O ARG A 92 -10.530 9.856 14.479 1.00 0.00 O ATOM 1343 CB ARG A 92 -7.645 9.875 15.191 1.00 0.00 C ATOM 1344 CG ARG A 92 -6.368 9.227 15.702 1.00 0.00 C ATOM 1345 CD ARG A 92 -6.635 7.909 16.332 1.00 0.00 C ATOM 1346 NE ARG A 92 -5.428 7.324 16.895 1.00 0.00 N ATOM 1347 CZ ARG A 92 -4.553 6.566 16.206 1.00 0.00 C ATOM 1348 NH1 ARG A 92 -4.763 6.311 14.933 1.00 0.00 N ATOM 1349 NH2 ARG A 92 -3.483 6.077 16.809 1.00 0.00 N ATOM 0 H ARG A 92 -7.292 10.125 12.401 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.466 8.137 14.236 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.428 10.909 14.922 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.372 9.902 16.003 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.668 9.100 14.876 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.890 9.886 16.426 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.382 8.026 17.117 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.056 7.230 15.590 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.230 7.500 17.880 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.589 6.687 14.467 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.100 5.737 14.412 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.320 6.274 17.796 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.821 5.503 16.287 1.00 0.00 H new ATOM 1363 N GLY A 93 -9.695 10.428 12.471 1.00 0.00 N ATOM 1364 CA GLY A 93 -10.914 11.094 12.028 1.00 0.00 C ATOM 1365 C GLY A 93 -10.631 12.053 10.878 1.00 0.00 C ATOM 1366 O GLY A 93 -9.759 11.800 10.046 1.00 0.00 O ATOM 0 H GLY A 93 -8.936 10.444 11.790 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.644 10.349 11.712 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.356 11.641 12.861 1.00 0.00 H new ATOM 1370 N ARG A 94 -11.375 13.152 10.835 1.00 0.00 N ATOM 1371 CA ARG A 94 -11.239 14.129 9.760 1.00 0.00 C ATOM 1372 C ARG A 94 -9.981 14.971 9.938 1.00 0.00 C ATOM 1373 O ARG A 94 -9.738 15.521 11.012 1.00 0.00 O ATOM 1374 CB ARG A 94 -12.454 15.042 9.710 1.00 0.00 C ATOM 1375 CG ARG A 94 -13.751 14.358 9.309 1.00 0.00 C ATOM 1376 CD ARG A 94 -14.900 15.299 9.340 1.00 0.00 C ATOM 1377 NE ARG A 94 -15.237 15.700 10.697 1.00 0.00 N ATOM 1378 CZ ARG A 94 -16.092 16.691 11.013 1.00 0.00 C ATOM 1379 NH1 ARG A 94 -16.689 17.372 10.060 1.00 0.00 N ATOM 1380 NH2 ARG A 94 -16.332 16.979 12.281 1.00 0.00 N ATOM 0 H ARG A 94 -12.080 13.390 11.533 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.163 13.577 8.823 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.589 15.498 10.691 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.254 15.851 9.007 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.648 13.942 8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.946 13.523 9.982 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -14.661 16.183 8.749 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.766 14.829 8.875 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.794 15.194 11.464 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -16.504 17.150 9.082 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -17.337 18.123 10.299 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -15.869 16.450 13.020 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -16.980 17.730 12.520 1.00 0.00 H new ATOM 1394 N ASP A 95 -9.185 15.067 8.879 1.00 0.00 N ATOM 1395 CA ASP A 95 -7.951 15.842 8.915 1.00 0.00 C ATOM 1396 C ASP A 95 -7.022 15.347 10.016 1.00 0.00 C ATOM 1397 O ASP A 95 -6.598 16.118 10.877 1.00 0.00 O ATOM 1398 CB ASP A 95 -8.257 17.327 9.126 1.00 0.00 C ATOM 1399 CG ASP A 95 -9.062 17.934 7.985 1.00 0.00 C ATOM 1400 OD1 ASP A 95 -8.655 17.793 6.856 1.00 0.00 O ATOM 1401 OD2 ASP A 95 -10.076 18.533 8.254 1.00 0.00 O ATOM 0 H ASP A 95 -9.373 14.617 7.983 1.00 0.00 H new ATOM 0 HA ASP A 95 -7.450 15.712 7.956 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.808 17.450 10.058 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.320 17.874 9.234 1.00 0.00 H new ATOM 1406 N THR A 96 -6.708 14.056 9.982 1.00 0.00 N ATOM 1407 CA THR A 96 -5.844 13.452 10.989 1.00 0.00 C ATOM 1408 C THR A 96 -4.854 12.485 10.355 1.00 0.00 C ATOM 1409 O THR A 96 -3.936 11.998 11.016 1.00 0.00 O ATOM 1410 CB THR A 96 -6.671 12.717 12.061 1.00 0.00 C ATOM 1411 OG1 THR A 96 -7.492 11.721 11.436 1.00 0.00 O ATOM 1412 CG2 THR A 96 -7.556 13.696 12.817 1.00 0.00 C ATOM 0 H THR A 96 -7.039 13.408 9.267 1.00 0.00 H new ATOM 0 HA THR A 96 -5.289 14.260 11.465 1.00 0.00 H new ATOM 0 HB THR A 96 -5.986 12.244 12.765 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.151 12.157 10.856 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.133 13.159 13.570 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.934 14.447 13.304 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.236 14.185 12.120 1.00 0.00 H new ATOM 1420 N GLY A 97 -5.044 12.209 9.069 1.00 0.00 N ATOM 1421 CA GLY A 97 -4.180 11.282 8.348 1.00 0.00 C ATOM 1422 C GLY A 97 -2.770 11.841 8.204 1.00 0.00 C ATOM 1423 O GLY A 97 -2.541 13.032 8.413 1.00 0.00 O ATOM 0 H GLY A 97 -5.790 12.615 8.504 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.144 10.329 8.876 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.598 11.084 7.361 1.00 0.00 H new ATOM 1427 N SER A 98 -1.829 10.975 7.845 1.00 0.00 N ATOM 1428 CA SER A 98 -0.435 11.375 7.696 1.00 0.00 C ATOM 1429 C SER A 98 0.272 10.530 6.645 1.00 0.00 C ATOM 1430 O SER A 98 -0.122 10.518 5.477 1.00 0.00 O ATOM 1431 CB SER A 98 0.287 11.253 9.024 1.00 0.00 C ATOM 1432 OG SER A 98 0.356 9.916 9.438 1.00 0.00 O ATOM 0 H SER A 98 -2.007 9.989 7.651 1.00 0.00 H new ATOM 0 HA SER A 98 -0.417 12.414 7.367 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.293 11.662 8.934 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.231 11.845 9.779 1.00 0.00 H new ATOM 0 HG SER A 98 0.827 9.863 10.296 1.00 0.00 H new ATOM 1438 N CYS A 99 1.317 9.825 7.062 1.00 0.00 N ATOM 1439 CA CYS A 99 2.087 8.984 6.154 1.00 0.00 C ATOM 1440 C CYS A 99 2.238 7.572 6.706 1.00 0.00 C ATOM 1441 O CYS A 99 2.727 6.676 6.018 1.00 0.00 O ATOM 1442 CB CYS A 99 3.473 9.582 5.913 1.00 0.00 C ATOM 1443 SG CYS A 99 4.572 9.506 7.348 1.00 0.00 S ATOM 0 H CYS A 99 1.651 9.819 8.026 1.00 0.00 H new ATOM 0 HA CYS A 99 1.543 8.937 5.211 1.00 0.00 H new ATOM 0 HB2 CYS A 99 3.943 9.058 5.081 1.00 0.00 H new ATOM 0 HB3 CYS A 99 3.360 10.623 5.611 1.00 0.00 H new ATOM 0 HG CYS A 99 5.771 9.866 6.996 1.00 0.00 H new ATOM 1449 N GLN A 100 1.815 7.380 7.951 1.00 0.00 N ATOM 1450 CA GLN A 100 1.873 6.069 8.586 1.00 0.00 C ATOM 1451 C GLN A 100 0.731 5.177 8.112 1.00 0.00 C ATOM 1452 O GLN A 100 -0.393 5.641 7.923 1.00 0.00 O ATOM 1453 CB GLN A 100 1.829 6.209 10.110 1.00 0.00 C ATOM 1454 CG GLN A 100 3.055 6.876 10.709 1.00 0.00 C ATOM 1455 CD GLN A 100 2.937 7.062 12.210 1.00 0.00 C ATOM 1456 OE1 GLN A 100 1.922 6.707 12.815 1.00 0.00 O ATOM 1457 NE2 GLN A 100 3.976 7.621 12.819 1.00 0.00 N ATOM 0 H GLN A 100 1.428 8.117 8.541 1.00 0.00 H new ATOM 0 HA GLN A 100 2.815 5.602 8.299 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.945 6.784 10.386 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.715 5.219 10.552 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.937 6.274 10.488 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.205 7.847 10.236 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.795 7.899 12.278 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.955 7.772 13.827 1.00 0.00 H new ATOM 1466 N PHE A 101 1.027 3.896 7.923 1.00 0.00 N ATOM 1467 CA PHE A 101 0.087 2.978 7.293 1.00 0.00 C ATOM 1468 C PHE A 101 0.191 1.583 7.896 1.00 0.00 C ATOM 1469 O PHE A 101 1.158 1.267 8.589 1.00 0.00 O ATOM 1470 CB PHE A 101 0.337 2.908 5.785 1.00 0.00 C ATOM 1471 CG PHE A 101 1.681 2.343 5.420 1.00 0.00 C ATOM 1472 CD1 PHE A 101 2.800 3.161 5.362 1.00 0.00 C ATOM 1473 CD2 PHE A 101 1.828 0.994 5.135 1.00 0.00 C ATOM 1474 CE1 PHE A 101 4.036 2.644 5.026 1.00 0.00 C ATOM 1475 CE2 PHE A 101 3.064 0.474 4.799 1.00 0.00 C ATOM 1476 CZ PHE A 101 4.167 1.299 4.744 1.00 0.00 C ATOM 0 H PHE A 101 1.912 3.470 8.198 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.918 3.358 7.473 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.441 2.298 5.325 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.247 3.909 5.364 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.704 4.214 5.582 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.968 0.343 5.176 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.899 3.292 4.984 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.165 -0.579 4.580 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.133 0.894 4.481 1.00 0.00 H new ATOM 1486 N PHE A 102 -0.811 0.752 7.627 1.00 0.00 N ATOM 1487 CA PHE A 102 -0.832 -0.612 8.141 1.00 0.00 C ATOM 1488 C PHE A 102 -0.644 -1.627 7.020 1.00 0.00 C ATOM 1489 O PHE A 102 -0.949 -1.347 5.860 1.00 0.00 O ATOM 1490 CB PHE A 102 -2.148 -0.889 8.870 1.00 0.00 C ATOM 1491 CG PHE A 102 -2.373 -0.011 10.069 1.00 0.00 C ATOM 1492 CD1 PHE A 102 -2.963 1.236 9.932 1.00 0.00 C ATOM 1493 CD2 PHE A 102 -1.993 -0.430 11.335 1.00 0.00 C ATOM 1494 CE1 PHE A 102 -3.170 2.045 11.033 1.00 0.00 C ATOM 1495 CE2 PHE A 102 -2.200 0.375 12.437 1.00 0.00 C ATOM 1496 CZ PHE A 102 -2.789 1.614 12.286 1.00 0.00 C ATOM 0 H PHE A 102 -1.619 1.000 7.056 1.00 0.00 H new ATOM 0 HA PHE A 102 -0.004 -0.713 8.842 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.975 -0.754 8.172 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -2.165 -1.932 9.187 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.264 1.579 8.953 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.530 -1.397 11.460 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.630 3.015 10.912 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.901 0.035 13.418 1.00 0.00 H new ATOM 0 HZ PHE A 102 -2.951 2.245 13.148 1.00 0.00 H new ATOM 1506 N ILE A 103 -0.141 -2.805 7.372 1.00 0.00 N ATOM 1507 CA ILE A 103 -0.229 -3.968 6.498 1.00 0.00 C ATOM 1508 C ILE A 103 -0.812 -5.167 7.234 1.00 0.00 C ATOM 1509 O ILE A 103 -0.253 -5.630 8.229 1.00 0.00 O ATOM 1510 CB ILE A 103 1.154 -4.335 5.931 1.00 0.00 C ATOM 1511 CG1 ILE A 103 1.745 -3.155 5.156 1.00 0.00 C ATOM 1512 CG2 ILE A 103 1.056 -5.565 5.042 1.00 0.00 C ATOM 1513 CD1 ILE A 103 3.142 -3.403 4.635 1.00 0.00 C ATOM 0 H ILE A 103 0.333 -2.979 8.258 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.893 -3.705 5.674 1.00 0.00 H new ATOM 0 HB ILE A 103 1.819 -4.566 6.763 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.091 -2.920 4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.760 -2.278 5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 103 2.043 -5.810 4.650 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.678 -6.405 5.624 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.377 -5.362 4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.492 -2.522 4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.811 -3.607 5.471 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.132 -4.259 3.960 1.00 0.00 H new ATOM 1525 N VAL A 104 -1.939 -5.669 6.740 1.00 0.00 N ATOM 1526 CA VAL A 104 -2.657 -6.747 7.409 1.00 0.00 C ATOM 1527 C VAL A 104 -2.192 -8.109 6.912 1.00 0.00 C ATOM 1528 O VAL A 104 -2.249 -8.396 5.716 1.00 0.00 O ATOM 1529 CB VAL A 104 -4.172 -6.607 7.174 1.00 0.00 C ATOM 1530 CG1 VAL A 104 -4.924 -7.744 7.848 1.00 0.00 C ATOM 1531 CG2 VAL A 104 -4.655 -5.260 7.692 1.00 0.00 C ATOM 0 H VAL A 104 -2.375 -5.345 5.877 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.445 -6.674 8.476 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.369 -6.660 6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.993 -7.628 7.671 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.589 -8.696 7.436 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.729 -7.724 8.920 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -5.728 -5.168 7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.449 -5.186 8.760 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.135 -4.460 7.166 1.00 0.00 H new ATOM 1541 N HIS A 105 -1.732 -8.945 7.836 1.00 0.00 N ATOM 1542 CA HIS A 105 -1.466 -10.347 7.536 1.00 0.00 C ATOM 1543 C HIS A 105 -2.668 -11.221 7.869 1.00 0.00 C ATOM 1544 O HIS A 105 -3.125 -12.007 7.039 1.00 0.00 O ATOM 1545 CB HIS A 105 -0.238 -10.842 8.307 1.00 0.00 C ATOM 1546 CG HIS A 105 0.090 -12.281 8.058 1.00 0.00 C ATOM 1547 ND1 HIS A 105 -0.476 -13.309 8.784 1.00 0.00 N ATOM 1548 CD2 HIS A 105 0.924 -12.864 7.166 1.00 0.00 C ATOM 1549 CE1 HIS A 105 -0.003 -14.463 8.347 1.00 0.00 C ATOM 1550 NE2 HIS A 105 0.848 -14.221 7.368 1.00 0.00 N ATOM 0 H HIS A 105 -1.535 -8.676 8.800 1.00 0.00 H new ATOM 0 HA HIS A 105 -1.270 -10.421 6.466 1.00 0.00 H new ATOM 0 HB2 HIS A 105 0.622 -10.230 8.034 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -0.407 -10.697 9.374 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -1.153 -13.196 9.539 1.00 0.00 H new ATOM 0 HD2 HIS A 105 1.535 -12.358 6.433 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -0.268 -15.439 8.727 1.00 0.00 H new ATOM 1557 N GLU A 106 -3.176 -11.078 9.089 1.00 0.00 N ATOM 1558 CA GLU A 106 -4.412 -11.743 9.486 1.00 0.00 C ATOM 1559 C GLU A 106 -5.568 -10.755 9.568 1.00 0.00 C ATOM 1560 O GLU A 106 -5.447 -9.693 10.179 1.00 0.00 O ATOM 1561 CB GLU A 106 -4.230 -12.444 10.834 1.00 0.00 C ATOM 1562 CG GLU A 106 -5.429 -13.269 11.281 1.00 0.00 C ATOM 1563 CD GLU A 106 -5.552 -14.570 10.539 1.00 0.00 C ATOM 1564 OE1 GLU A 106 -4.682 -14.872 9.759 1.00 0.00 O ATOM 1565 OE2 GLU A 106 -6.520 -15.262 10.752 1.00 0.00 O ATOM 0 H GLU A 106 -2.751 -10.508 9.820 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.650 -12.486 8.725 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.358 -13.095 10.776 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.017 -11.693 11.595 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.347 -13.472 12.349 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.339 -12.686 11.136 1.00 0.00 H new ATOM 1572 N PRO A 107 -6.687 -11.109 8.947 1.00 0.00 N ATOM 1573 CA PRO A 107 -7.875 -10.265 8.968 1.00 0.00 C ATOM 1574 C PRO A 107 -8.239 -9.859 10.391 1.00 0.00 C ATOM 1575 O PRO A 107 -8.184 -10.674 11.312 1.00 0.00 O ATOM 1576 CB PRO A 107 -8.949 -11.163 8.345 1.00 0.00 C ATOM 1577 CG PRO A 107 -8.192 -12.040 7.407 1.00 0.00 C ATOM 1578 CD PRO A 107 -6.900 -12.330 8.125 1.00 0.00 C ATOM 0 HA PRO A 107 -7.745 -9.325 8.432 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -9.469 -11.747 9.104 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -9.704 -10.577 7.821 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -8.740 -12.957 7.190 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -8.014 -11.542 6.454 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -6.975 -13.224 8.744 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.079 -12.494 7.427 1.00 0.00 H new ATOM 1586 N GLN A 108 -8.610 -8.595 10.564 1.00 0.00 N ATOM 1587 CA GLN A 108 -9.034 -8.093 11.865 1.00 0.00 C ATOM 1588 C GLN A 108 -10.381 -7.388 11.770 1.00 0.00 C ATOM 1589 O GLN A 108 -10.455 -6.213 11.413 1.00 0.00 O ATOM 1590 CB GLN A 108 -7.985 -7.138 12.440 1.00 0.00 C ATOM 1591 CG GLN A 108 -6.669 -7.805 12.804 1.00 0.00 C ATOM 1592 CD GLN A 108 -6.771 -8.634 14.069 1.00 0.00 C ATOM 1593 OE1 GLN A 108 -6.325 -8.215 15.141 1.00 0.00 O ATOM 1594 NE2 GLN A 108 -7.361 -9.818 13.954 1.00 0.00 N ATOM 0 H GLN A 108 -8.626 -7.899 9.818 1.00 0.00 H new ATOM 0 HA GLN A 108 -9.140 -8.948 12.532 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -7.791 -6.349 11.713 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -8.395 -6.659 13.329 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -6.348 -8.442 11.980 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -5.902 -7.042 12.934 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -7.716 -10.125 13.048 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -7.460 -10.420 14.771 1.00 0.00 H new ATOM 1603 N PRO A 109 -11.447 -8.114 12.092 1.00 0.00 N ATOM 1604 CA PRO A 109 -12.801 -7.592 11.954 1.00 0.00 C ATOM 1605 C PRO A 109 -12.972 -6.294 12.733 1.00 0.00 C ATOM 1606 O PRO A 109 -13.726 -5.410 12.327 1.00 0.00 O ATOM 1607 CB PRO A 109 -13.666 -8.716 12.532 1.00 0.00 C ATOM 1608 CG PRO A 109 -12.885 -9.956 12.256 1.00 0.00 C ATOM 1609 CD PRO A 109 -11.452 -9.550 12.466 1.00 0.00 C ATOM 0 HA PRO A 109 -13.064 -7.341 10.926 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -13.834 -8.580 13.600 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -14.646 -8.749 12.057 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -13.172 -10.764 12.929 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -13.052 -10.313 11.240 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.139 -9.698 13.500 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.773 -10.131 11.841 1.00 0.00 H new ATOM 1617 N HIS A 110 -12.268 -6.186 13.855 1.00 0.00 N ATOM 1618 CA HIS A 110 -12.458 -5.070 14.773 1.00 0.00 C ATOM 1619 C HIS A 110 -11.776 -3.809 14.258 1.00 0.00 C ATOM 1620 O HIS A 110 -11.963 -2.723 14.806 1.00 0.00 O ATOM 1621 CB HIS A 110 -11.918 -5.417 16.165 1.00 0.00 C ATOM 1622 CG HIS A 110 -10.443 -5.677 16.190 1.00 0.00 C ATOM 1623 ND1 HIS A 110 -9.520 -4.696 16.488 1.00 0.00 N ATOM 1624 CD2 HIS A 110 -9.733 -6.805 15.955 1.00 0.00 C ATOM 1625 CE1 HIS A 110 -8.304 -5.211 16.435 1.00 0.00 C ATOM 1626 NE2 HIS A 110 -8.406 -6.487 16.113 1.00 0.00 N ATOM 0 H HIS A 110 -11.560 -6.859 14.150 1.00 0.00 H new ATOM 0 HA HIS A 110 -13.529 -4.881 14.842 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -12.146 -4.598 16.848 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -12.440 -6.298 16.538 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -10.134 -7.773 15.693 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -7.383 -4.678 16.623 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -7.625 -7.133 16.000 1.00 0.00 H new ATOM 1633 N LEU A 111 -10.986 -3.960 13.201 1.00 0.00 N ATOM 1634 CA LEU A 111 -10.329 -2.824 12.566 1.00 0.00 C ATOM 1635 C LEU A 111 -11.082 -2.380 11.318 1.00 0.00 C ATOM 1636 O LEU A 111 -10.740 -1.371 10.701 1.00 0.00 O ATOM 1637 CB LEU A 111 -8.884 -3.183 12.198 1.00 0.00 C ATOM 1638 CG LEU A 111 -7.950 -3.473 13.381 1.00 0.00 C ATOM 1639 CD1 LEU A 111 -6.559 -3.806 12.859 1.00 0.00 C ATOM 1640 CD2 LEU A 111 -7.912 -2.266 14.306 1.00 0.00 C ATOM 0 H LEU A 111 -10.785 -4.860 12.765 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.326 -1.999 13.278 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.900 -4.058 11.548 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.462 -2.363 11.617 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.320 -4.328 13.947 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.895 -4.012 13.699 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.613 -4.684 12.215 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.172 -2.961 12.289 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.249 -2.472 15.146 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.544 -1.399 13.758 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -8.916 -2.061 14.678 1.00 0.00 H new ATOM 1652 N ASP A 112 -12.108 -3.139 10.951 1.00 0.00 N ATOM 1653 CA ASP A 112 -12.868 -2.865 9.737 1.00 0.00 C ATOM 1654 C ASP A 112 -13.554 -1.507 9.812 1.00 0.00 C ATOM 1655 O ASP A 112 -14.466 -1.305 10.613 1.00 0.00 O ATOM 1656 CB ASP A 112 -13.913 -3.959 9.500 1.00 0.00 C ATOM 1657 CG ASP A 112 -13.293 -5.304 9.144 1.00 0.00 C ATOM 1658 OD1 ASP A 112 -12.090 -5.378 9.066 1.00 0.00 O ATOM 1659 OD2 ASP A 112 -14.029 -6.241 8.953 1.00 0.00 O ATOM 0 H ASP A 112 -12.433 -3.950 11.477 1.00 0.00 H new ATOM 0 HA ASP A 112 -12.166 -2.853 8.903 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -14.523 -4.072 10.396 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -14.581 -3.648 8.697 1.00 0.00 H new ATOM 1664 N GLY A 113 -13.109 -0.578 8.972 1.00 0.00 N ATOM 1665 CA GLY A 113 -13.735 0.735 8.882 1.00 0.00 C ATOM 1666 C GLY A 113 -13.079 1.725 9.837 1.00 0.00 C ATOM 1667 O GLY A 113 -13.410 2.910 9.840 1.00 0.00 O ATOM 0 H GLY A 113 -12.317 -0.711 8.344 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.660 1.107 7.860 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -14.797 0.651 9.114 1.00 0.00 H new ATOM 1671 N VAL A 114 -12.148 1.230 10.645 1.00 0.00 N ATOM 1672 CA VAL A 114 -11.456 2.067 11.619 1.00 0.00 C ATOM 1673 C VAL A 114 -10.452 2.988 10.941 1.00 0.00 C ATOM 1674 O VAL A 114 -10.347 4.167 11.281 1.00 0.00 O ATOM 1675 CB VAL A 114 -10.726 1.189 12.653 1.00 0.00 C ATOM 1676 CG1 VAL A 114 -9.853 2.047 13.557 1.00 0.00 C ATOM 1677 CG2 VAL A 114 -11.738 0.402 13.471 1.00 0.00 C ATOM 0 H VAL A 114 -11.855 0.253 10.645 1.00 0.00 H new ATOM 0 HA VAL A 114 -12.205 2.679 12.121 1.00 0.00 H new ATOM 0 HB VAL A 114 -10.080 0.486 12.127 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -9.344 1.411 14.282 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -9.113 2.574 12.955 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -10.475 2.771 14.083 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -11.214 -0.217 14.200 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -12.402 1.093 13.991 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -12.324 -0.235 12.809 1.00 0.00 H new ATOM 1687 N HIS A 115 -9.715 2.445 9.978 1.00 0.00 N ATOM 1688 CA HIS A 115 -8.804 3.245 9.166 1.00 0.00 C ATOM 1689 C HIS A 115 -9.193 3.198 7.694 1.00 0.00 C ATOM 1690 O HIS A 115 -10.022 2.385 7.287 1.00 0.00 O ATOM 1691 CB HIS A 115 -7.361 2.759 9.335 1.00 0.00 C ATOM 1692 CG HIS A 115 -6.848 2.872 10.737 1.00 0.00 C ATOM 1693 ND1 HIS A 115 -6.444 4.071 11.286 1.00 0.00 N ATOM 1694 CD2 HIS A 115 -6.672 1.938 11.701 1.00 0.00 C ATOM 1695 CE1 HIS A 115 -6.042 3.867 12.529 1.00 0.00 C ATOM 1696 NE2 HIS A 115 -6.171 2.583 12.804 1.00 0.00 N ATOM 0 H HIS A 115 -9.730 1.453 9.740 1.00 0.00 H new ATOM 0 HA HIS A 115 -8.876 4.277 9.511 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.298 1.718 9.017 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.713 3.334 8.673 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -6.886 0.883 11.618 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -5.671 4.623 13.205 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -5.936 2.141 13.693 1.00 0.00 H new ATOM 1703 N THR A 116 -8.589 4.076 6.901 1.00 0.00 N ATOM 1704 CA THR A 116 -8.938 4.200 5.491 1.00 0.00 C ATOM 1705 C THR A 116 -8.094 3.269 4.630 1.00 0.00 C ATOM 1706 O THR A 116 -6.937 3.563 4.331 1.00 0.00 O ATOM 1707 CB THR A 116 -8.767 5.651 5.002 1.00 0.00 C ATOM 1708 OG1 THR A 116 -9.672 6.507 5.713 1.00 0.00 O ATOM 1709 CG2 THR A 116 -9.048 5.749 3.511 1.00 0.00 C ATOM 0 H THR A 116 -7.855 4.713 7.211 1.00 0.00 H new ATOM 0 HA THR A 116 -9.986 3.916 5.393 1.00 0.00 H new ATOM 0 HB THR A 116 -7.739 5.962 5.188 1.00 0.00 H new ATOM 0 HG1 THR A 116 -9.514 6.422 6.676 1.00 0.00 H new ATOM 0 HG21 THR A 116 -8.922 6.781 3.184 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.353 5.109 2.967 1.00 0.00 H new ATOM 0 HG23 THR A 116 -10.070 5.427 3.311 1.00 0.00 H new ATOM 1717 N VAL A 117 -8.681 2.144 4.234 1.00 0.00 N ATOM 1718 CA VAL A 117 -8.011 1.203 3.344 1.00 0.00 C ATOM 1719 C VAL A 117 -7.883 1.773 1.937 1.00 0.00 C ATOM 1720 O VAL A 117 -8.858 2.256 1.361 1.00 0.00 O ATOM 1721 CB VAL A 117 -8.789 -0.125 3.287 1.00 0.00 C ATOM 1722 CG1 VAL A 117 -8.152 -1.073 2.283 1.00 0.00 C ATOM 1723 CG2 VAL A 117 -8.836 -0.757 4.670 1.00 0.00 C ATOM 0 H VAL A 117 -9.620 1.862 4.516 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.012 1.025 3.741 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.809 0.077 2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.715 -2.006 2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -8.161 -0.615 1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.123 -1.278 2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.388 -1.696 4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.821 -0.950 5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.333 -0.079 5.363 1.00 0.00 H new ATOM 1733 N PHE A 118 -6.673 1.716 1.389 1.00 0.00 N ATOM 1734 CA PHE A 118 -6.383 2.347 0.107 1.00 0.00 C ATOM 1735 C PHE A 118 -5.627 1.398 -0.815 1.00 0.00 C ATOM 1736 O PHE A 118 -5.543 1.625 -2.021 1.00 0.00 O ATOM 1737 CB PHE A 118 -5.566 3.624 0.313 1.00 0.00 C ATOM 1738 CG PHE A 118 -4.169 3.376 0.807 1.00 0.00 C ATOM 1739 CD1 PHE A 118 -3.908 3.261 2.164 1.00 0.00 C ATOM 1740 CD2 PHE A 118 -3.114 3.258 -0.084 1.00 0.00 C ATOM 1741 CE1 PHE A 118 -2.624 3.035 2.620 1.00 0.00 C ATOM 1742 CE2 PHE A 118 -1.828 3.032 0.369 1.00 0.00 C ATOM 1743 CZ PHE A 118 -1.583 2.920 1.721 1.00 0.00 C ATOM 0 H PHE A 118 -5.878 1.239 1.813 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.334 2.600 -0.361 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -5.517 4.169 -0.630 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -6.085 4.265 1.025 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.718 3.349 2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -3.299 3.344 -1.145 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -2.435 2.948 3.680 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -1.015 2.943 -0.336 1.00 0.00 H new ATOM 0 HZ PHE A 118 -0.579 2.743 2.076 1.00 0.00 H new ATOM 1753 N GLY A 119 -5.079 0.332 -0.239 1.00 0.00 N ATOM 1754 CA GLY A 119 -4.307 -0.640 -1.004 1.00 0.00 C ATOM 1755 C GLY A 119 -4.431 -2.035 -0.403 1.00 0.00 C ATOM 1756 O GLY A 119 -5.114 -2.231 0.601 1.00 0.00 O ATOM 0 H GLY A 119 -5.156 0.120 0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.655 -0.653 -2.037 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -3.259 -0.341 -1.025 1.00 0.00 H new ATOM 1760 N GLN A 120 -3.765 -3.001 -1.026 1.00 0.00 N ATOM 1761 CA GLN A 120 -3.755 -4.370 -0.524 1.00 0.00 C ATOM 1762 C GLN A 120 -2.554 -5.143 -1.055 1.00 0.00 C ATOM 1763 O GLN A 120 -2.297 -5.160 -2.259 1.00 0.00 O ATOM 1764 CB GLN A 120 -5.051 -5.091 -0.907 1.00 0.00 C ATOM 1765 CG GLN A 120 -5.177 -6.491 -0.332 1.00 0.00 C ATOM 1766 CD GLN A 120 -6.440 -7.194 -0.794 1.00 0.00 C ATOM 1767 OE1 GLN A 120 -7.131 -6.726 -1.704 1.00 0.00 O ATOM 1768 NE2 GLN A 120 -6.751 -8.323 -0.168 1.00 0.00 N ATOM 0 H GLN A 120 -3.225 -2.861 -1.880 1.00 0.00 H new ATOM 0 HA GLN A 120 -3.680 -4.325 0.563 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -5.899 -4.494 -0.570 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -5.114 -5.149 -1.994 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -4.308 -7.081 -0.625 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -5.173 -6.436 0.757 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -6.151 -8.674 0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -7.589 -8.839 -0.434 1.00 0.00 H new ATOM 1777 N VAL A 121 -1.821 -5.783 -0.150 1.00 0.00 N ATOM 1778 CA VAL A 121 -0.706 -6.640 -0.534 1.00 0.00 C ATOM 1779 C VAL A 121 -1.188 -7.850 -1.324 1.00 0.00 C ATOM 1780 O VAL A 121 -2.169 -8.495 -0.953 1.00 0.00 O ATOM 1781 CB VAL A 121 0.056 -7.118 0.717 1.00 0.00 C ATOM 1782 CG1 VAL A 121 1.128 -8.126 0.334 1.00 0.00 C ATOM 1783 CG2 VAL A 121 0.669 -5.925 1.436 1.00 0.00 C ATOM 0 H VAL A 121 -1.980 -5.724 0.856 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.040 -6.053 -1.166 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.644 -7.610 1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.656 -8.453 1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.663 -8.986 -0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.834 -7.662 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.206 -6.269 2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.361 -5.413 0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.121 -5.237 1.737 1.00 0.00 H new ATOM 1793 N THR A 122 -0.493 -8.153 -2.415 1.00 0.00 N ATOM 1794 CA THR A 122 -0.883 -9.251 -3.290 1.00 0.00 C ATOM 1795 C THR A 122 0.163 -10.359 -3.285 1.00 0.00 C ATOM 1796 O THR A 122 -0.132 -11.505 -3.621 1.00 0.00 O ATOM 1797 CB THR A 122 -1.106 -8.758 -4.733 1.00 0.00 C ATOM 1798 OG1 THR A 122 0.115 -8.215 -5.249 1.00 0.00 O ATOM 1799 CG2 THR A 122 -2.188 -7.688 -4.769 1.00 0.00 C ATOM 0 H THR A 122 0.344 -7.653 -2.714 1.00 0.00 H new ATOM 0 HA THR A 122 -1.820 -9.652 -2.905 1.00 0.00 H new ATOM 0 HB THR A 122 -1.423 -9.602 -5.345 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.028 -7.903 -6.167 1.00 0.00 H new ATOM 0 HG21 THR A 122 -2.333 -7.351 -5.796 1.00 0.00 H new ATOM 0 HG22 THR A 122 -3.122 -8.102 -4.388 1.00 0.00 H new ATOM 0 HG23 THR A 122 -1.886 -6.844 -4.149 1.00 0.00 H new ATOM 1807 N SER A 123 1.386 -10.008 -2.901 1.00 0.00 N ATOM 1808 CA SER A 123 2.475 -10.975 -2.837 1.00 0.00 C ATOM 1809 C SER A 123 3.570 -10.509 -1.886 1.00 0.00 C ATOM 1810 O SER A 123 3.891 -9.323 -1.827 1.00 0.00 O ATOM 1811 CB SER A 123 3.056 -11.199 -4.220 1.00 0.00 C ATOM 1812 OG SER A 123 4.131 -12.096 -4.172 1.00 0.00 O ATOM 0 H SER A 123 1.648 -9.060 -2.629 1.00 0.00 H new ATOM 0 HA SER A 123 2.070 -11.913 -2.458 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.284 -11.586 -4.885 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.389 -10.249 -4.637 1.00 0.00 H new ATOM 0 HG SER A 123 4.489 -12.227 -5.075 1.00 0.00 H new ATOM 1818 N GLY A 124 4.139 -11.450 -1.141 1.00 0.00 N ATOM 1819 CA GLY A 124 5.233 -11.146 -0.226 1.00 0.00 C ATOM 1820 C GLY A 124 4.712 -10.823 1.168 1.00 0.00 C ATOM 1821 O GLY A 124 5.455 -10.345 2.024 1.00 0.00 O ATOM 0 H GLY A 124 3.860 -12.431 -1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 124 5.914 -11.995 -0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.806 -10.301 -0.608 1.00 0.00 H new ATOM 1825 N MET A 125 3.428 -11.088 1.391 1.00 0.00 N ATOM 1826 CA MET A 125 2.814 -10.864 2.694 1.00 0.00 C ATOM 1827 C MET A 125 3.553 -11.624 3.789 1.00 0.00 C ATOM 1828 O MET A 125 3.572 -11.203 4.945 1.00 0.00 O ATOM 1829 CB MET A 125 1.343 -11.272 2.662 1.00 0.00 C ATOM 1830 CG MET A 125 0.536 -10.813 3.867 1.00 0.00 C ATOM 1831 SD MET A 125 -1.208 -11.259 3.747 1.00 0.00 S ATOM 1832 CE MET A 125 -1.122 -13.030 3.998 1.00 0.00 C ATOM 0 H MET A 125 2.793 -11.459 0.684 1.00 0.00 H new ATOM 0 HA MET A 125 2.880 -9.800 2.921 1.00 0.00 H new ATOM 0 HB2 MET A 125 0.886 -10.867 1.759 1.00 0.00 H new ATOM 0 HB3 MET A 125 1.281 -12.358 2.591 1.00 0.00 H new ATOM 0 HG2 MET A 125 0.958 -11.253 4.771 1.00 0.00 H new ATOM 0 HG3 MET A 125 0.624 -9.731 3.968 1.00 0.00 H new ATOM 0 HE1 MET A 125 -1.458 -13.542 3.096 1.00 0.00 H new ATOM 0 HE2 MET A 125 -0.093 -13.317 4.217 1.00 0.00 H new ATOM 0 HE3 MET A 125 -1.763 -13.311 4.834 1.00 0.00 H new ATOM 1842 N ASP A 126 4.159 -12.746 3.416 1.00 0.00 N ATOM 1843 CA ASP A 126 4.927 -13.551 4.359 1.00 0.00 C ATOM 1844 C ASP A 126 5.995 -12.716 5.055 1.00 0.00 C ATOM 1845 O ASP A 126 6.336 -12.965 6.211 1.00 0.00 O ATOM 1846 CB ASP A 126 5.583 -14.735 3.644 1.00 0.00 C ATOM 1847 CG ASP A 126 4.572 -15.760 3.147 1.00 0.00 C ATOM 1848 OD1 ASP A 126 3.769 -16.203 3.934 1.00 0.00 O ATOM 1849 OD2 ASP A 126 4.612 -16.089 1.986 1.00 0.00 O ATOM 0 H ASP A 126 4.133 -13.119 2.467 1.00 0.00 H new ATOM 0 HA ASP A 126 4.235 -13.926 5.113 1.00 0.00 H new ATOM 0 HB2 ASP A 126 6.164 -14.366 2.799 1.00 0.00 H new ATOM 0 HB3 ASP A 126 6.282 -15.222 4.324 1.00 0.00 H new ATOM 1854 N VAL A 127 6.520 -11.724 4.343 1.00 0.00 N ATOM 1855 CA VAL A 127 7.518 -10.823 4.905 1.00 0.00 C ATOM 1856 C VAL A 127 7.006 -10.156 6.175 1.00 0.00 C ATOM 1857 O VAL A 127 7.764 -9.933 7.119 1.00 0.00 O ATOM 1858 CB VAL A 127 7.900 -9.741 3.878 1.00 0.00 C ATOM 1859 CG1 VAL A 127 8.786 -8.684 4.521 1.00 0.00 C ATOM 1860 CG2 VAL A 127 8.600 -10.380 2.688 1.00 0.00 C ATOM 0 H VAL A 127 6.270 -11.524 3.375 1.00 0.00 H new ATOM 0 HA VAL A 127 8.397 -11.417 5.154 1.00 0.00 H new ATOM 0 HB VAL A 127 6.992 -9.251 3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 127 9.046 -7.928 3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 127 8.252 -8.215 5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 127 9.696 -9.152 4.897 1.00 0.00 H new ATOM 0 HG21 VAL A 127 8.867 -9.609 1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 127 9.503 -10.888 3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 127 7.932 -11.102 2.218 1.00 0.00 H new ATOM 1870 N VAL A 128 5.716 -9.839 6.191 1.00 0.00 N ATOM 1871 CA VAL A 128 5.097 -9.205 7.350 1.00 0.00 C ATOM 1872 C VAL A 128 5.134 -10.122 8.565 1.00 0.00 C ATOM 1873 O VAL A 128 5.517 -9.705 9.659 1.00 0.00 O ATOM 1874 CB VAL A 128 3.637 -8.829 7.037 1.00 0.00 C ATOM 1875 CG1 VAL A 128 2.945 -8.298 8.283 1.00 0.00 C ATOM 1876 CG2 VAL A 128 3.595 -7.800 5.917 1.00 0.00 C ATOM 0 H VAL A 128 5.078 -10.011 5.414 1.00 0.00 H new ATOM 0 HA VAL A 128 5.665 -8.303 7.577 1.00 0.00 H new ATOM 0 HB VAL A 128 3.105 -9.722 6.710 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.914 -8.037 8.043 1.00 0.00 H new ATOM 0 HG12 VAL A 128 2.955 -9.064 9.059 1.00 0.00 H new ATOM 0 HG13 VAL A 128 3.470 -7.412 8.641 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.559 -7.539 5.701 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.138 -6.906 6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 128 4.058 -8.217 5.023 1.00 0.00 H new ATOM 1886 N ARG A 129 4.734 -11.373 8.368 1.00 0.00 N ATOM 1887 CA ARG A 129 4.750 -12.361 9.440 1.00 0.00 C ATOM 1888 C ARG A 129 6.153 -12.536 10.007 1.00 0.00 C ATOM 1889 O ARG A 129 6.330 -12.700 11.214 1.00 0.00 O ATOM 1890 CB ARG A 129 4.237 -13.703 8.939 1.00 0.00 C ATOM 1891 CG ARG A 129 4.051 -14.760 10.017 1.00 0.00 C ATOM 1892 CD ARG A 129 3.411 -15.987 9.479 1.00 0.00 C ATOM 1893 NE ARG A 129 4.255 -16.654 8.501 1.00 0.00 N ATOM 1894 CZ ARG A 129 4.075 -16.594 7.167 1.00 0.00 C ATOM 1895 NH1 ARG A 129 3.080 -15.894 6.668 1.00 0.00 N ATOM 1896 NH2 ARG A 129 4.900 -17.237 6.359 1.00 0.00 N ATOM 0 H ARG A 129 4.394 -11.727 7.474 1.00 0.00 H new ATOM 0 HA ARG A 129 4.095 -11.996 10.231 1.00 0.00 H new ATOM 0 HB2 ARG A 129 3.283 -13.546 8.436 1.00 0.00 H new ATOM 0 HB3 ARG A 129 4.932 -14.085 8.192 1.00 0.00 H new ATOM 0 HG2 ARG A 129 5.019 -15.014 10.448 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.440 -14.354 10.823 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.193 -16.672 10.298 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.458 -15.727 9.019 1.00 0.00 H new ATOM 0 HE ARG A 129 5.039 -17.206 8.849 1.00 0.00 H new ATOM 0 HH11 ARG A 129 2.444 -15.396 7.291 1.00 0.00 H new ATOM 0 HH12 ARG A 129 2.944 -15.849 5.658 1.00 0.00 H new ATOM 0 HH21 ARG A 129 5.673 -17.779 6.745 1.00 0.00 H new ATOM 0 HH22 ARG A 129 4.764 -17.191 5.349 1.00 0.00 H new ATOM 1910 N THR A 130 7.149 -12.500 9.128 1.00 0.00 N ATOM 1911 CA THR A 130 8.537 -12.682 9.535 1.00 0.00 C ATOM 1912 C THR A 130 9.237 -11.341 9.721 1.00 0.00 C ATOM 1913 O THR A 130 10.456 -11.284 9.882 1.00 0.00 O ATOM 1914 CB THR A 130 9.310 -13.531 8.509 1.00 0.00 C ATOM 1915 OG1 THR A 130 9.312 -12.865 7.240 1.00 0.00 O ATOM 1916 CG2 THR A 130 8.666 -14.900 8.358 1.00 0.00 C ATOM 0 H THR A 130 7.020 -12.346 8.128 1.00 0.00 H new ATOM 0 HA THR A 130 8.526 -13.208 10.490 1.00 0.00 H new ATOM 0 HB THR A 130 10.333 -13.659 8.862 1.00 0.00 H new ATOM 0 HG1 THR A 130 8.416 -12.908 6.846 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.225 -15.487 7.629 1.00 0.00 H new ATOM 0 HG22 THR A 130 8.673 -15.413 9.319 1.00 0.00 H new ATOM 0 HG23 THR A 130 7.637 -14.783 8.017 1.00 0.00 H new ATOM 1924 N MET A 131 8.459 -10.265 9.697 1.00 0.00 N ATOM 1925 CA MET A 131 9.005 -8.922 9.849 1.00 0.00 C ATOM 1926 C MET A 131 9.506 -8.688 11.268 1.00 0.00 C ATOM 1927 O MET A 131 8.903 -9.155 12.235 1.00 0.00 O ATOM 1928 CB MET A 131 7.952 -7.879 9.478 1.00 0.00 C ATOM 1929 CG MET A 131 8.477 -6.453 9.403 1.00 0.00 C ATOM 1930 SD MET A 131 7.213 -5.272 8.890 1.00 0.00 S ATOM 1931 CE MET A 131 7.085 -5.651 7.145 1.00 0.00 C ATOM 0 H MET A 131 7.447 -10.297 9.574 1.00 0.00 H new ATOM 0 HA MET A 131 9.854 -8.824 9.173 1.00 0.00 H new ATOM 0 HB2 MET A 131 7.519 -8.145 8.514 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.146 -7.918 10.211 1.00 0.00 H new ATOM 0 HG2 MET A 131 8.866 -6.162 10.379 1.00 0.00 H new ATOM 0 HG3 MET A 131 9.311 -6.414 8.702 1.00 0.00 H new ATOM 0 HE1 MET A 131 7.384 -4.781 6.561 1.00 0.00 H new ATOM 0 HE2 MET A 131 7.738 -6.490 6.906 1.00 0.00 H new ATOM 0 HE3 MET A 131 6.055 -5.913 6.904 1.00 0.00 H new ATOM 1941 N LYS A 132 10.613 -7.964 11.387 1.00 0.00 N ATOM 1942 CA LYS A 132 11.166 -7.619 12.692 1.00 0.00 C ATOM 1943 C LYS A 132 10.752 -6.214 13.112 1.00 0.00 C ATOM 1944 O LYS A 132 10.538 -5.341 12.270 1.00 0.00 O ATOM 1945 CB LYS A 132 12.692 -7.734 12.675 1.00 0.00 C ATOM 1946 CG LYS A 132 13.213 -9.145 12.446 1.00 0.00 C ATOM 1947 CD LYS A 132 14.732 -9.167 12.366 1.00 0.00 C ATOM 1948 CE LYS A 132 15.256 -10.579 12.144 1.00 0.00 C ATOM 1949 NZ LYS A 132 16.741 -10.615 12.066 1.00 0.00 N ATOM 0 H LYS A 132 11.146 -7.604 10.595 1.00 0.00 H new ATOM 0 HA LYS A 132 10.766 -8.324 13.420 1.00 0.00 H new ATOM 0 HB2 LYS A 132 13.085 -7.083 11.894 1.00 0.00 H new ATOM 0 HB3 LYS A 132 13.083 -7.365 13.623 1.00 0.00 H new ATOM 0 HG2 LYS A 132 12.880 -9.794 13.256 1.00 0.00 H new ATOM 0 HG3 LYS A 132 12.792 -9.545 11.524 1.00 0.00 H new ATOM 0 HD2 LYS A 132 15.064 -8.522 11.553 1.00 0.00 H new ATOM 0 HD3 LYS A 132 15.152 -8.762 13.286 1.00 0.00 H new ATOM 0 HE2 LYS A 132 14.920 -11.223 12.957 1.00 0.00 H new ATOM 0 HE3 LYS A 132 14.834 -10.982 11.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 17.057 -11.594 11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 17.062 -10.021 11.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 17.144 -10.255 12.954 1.00 0.00 H new ATOM 1963 N ASN A 133 10.638 -6.002 14.418 1.00 0.00 N ATOM 1964 CA ASN A 133 10.257 -4.701 14.953 1.00 0.00 C ATOM 1965 C ASN A 133 11.267 -3.628 14.562 1.00 0.00 C ATOM 1966 O ASN A 133 12.428 -3.678 14.966 1.00 0.00 O ATOM 1967 CB ASN A 133 10.106 -4.766 16.461 1.00 0.00 C ATOM 1968 CG ASN A 133 9.525 -3.505 17.040 1.00 0.00 C ATOM 1969 OD1 ASN A 133 9.615 -2.431 16.434 1.00 0.00 O ATOM 1970 ND2 ASN A 133 8.932 -3.614 18.201 1.00 0.00 N ATOM 0 H ASN A 133 10.804 -6.716 15.127 1.00 0.00 H new ATOM 0 HA ASN A 133 9.294 -4.430 14.520 1.00 0.00 H new ATOM 0 HB2 ASN A 133 9.467 -5.609 16.722 1.00 0.00 H new ATOM 0 HB3 ASN A 133 11.080 -4.953 16.912 1.00 0.00 H new ATOM 0 HD21 ASN A 133 8.520 -2.792 18.642 1.00 0.00 H new ATOM 0 HD22 ASN A 133 8.882 -4.521 18.665 1.00 0.00 H new ATOM 1977 N GLY A 134 10.815 -2.657 13.774 1.00 0.00 N ATOM 1978 CA GLY A 134 11.678 -1.570 13.329 1.00 0.00 C ATOM 1979 C GLY A 134 12.376 -1.920 12.021 1.00 0.00 C ATOM 1980 O GLY A 134 13.385 -1.312 11.663 1.00 0.00 O ATOM 0 H GLY A 134 9.856 -2.602 13.431 1.00 0.00 H new ATOM 0 HA2 GLY A 134 11.087 -0.664 13.197 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.423 -1.356 14.096 1.00 0.00 H new ATOM 1984 N ASP A 135 11.832 -2.903 11.311 1.00 0.00 N ATOM 1985 CA ASP A 135 12.352 -3.279 10.003 1.00 0.00 C ATOM 1986 C ASP A 135 12.345 -2.095 9.045 1.00 0.00 C ATOM 1987 O ASP A 135 11.359 -1.364 8.952 1.00 0.00 O ATOM 1988 CB ASP A 135 11.531 -4.427 9.409 1.00 0.00 C ATOM 1989 CG ASP A 135 12.229 -5.116 8.244 1.00 0.00 C ATOM 1990 OD1 ASP A 135 13.311 -4.702 7.898 1.00 0.00 O ATOM 1991 OD2 ASP A 135 11.675 -6.047 7.713 1.00 0.00 O ATOM 0 H ASP A 135 11.031 -3.453 11.620 1.00 0.00 H new ATOM 0 HA ASP A 135 13.382 -3.607 10.140 1.00 0.00 H new ATOM 0 HB2 ASP A 135 11.326 -5.161 10.188 1.00 0.00 H new ATOM 0 HB3 ASP A 135 10.568 -4.042 9.073 1.00 0.00 H new ATOM 1996 N VAL A 136 13.452 -1.909 8.333 1.00 0.00 N ATOM 1997 CA VAL A 136 13.655 -0.709 7.530 1.00 0.00 C ATOM 1998 C VAL A 136 13.144 -0.905 6.108 1.00 0.00 C ATOM 1999 O VAL A 136 13.431 -1.917 5.469 1.00 0.00 O ATOM 2000 CB VAL A 136 15.149 -0.339 7.490 1.00 0.00 C ATOM 2001 CG1 VAL A 136 15.367 0.904 6.639 1.00 0.00 C ATOM 2002 CG2 VAL A 136 15.667 -0.124 8.903 1.00 0.00 C ATOM 0 H VAL A 136 14.223 -2.575 8.296 1.00 0.00 H new ATOM 0 HA VAL A 136 13.091 0.100 7.995 1.00 0.00 H new ATOM 0 HB VAL A 136 15.705 -1.160 7.037 1.00 0.00 H new ATOM 0 HG11 VAL A 136 16.428 1.151 6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 136 15.022 0.714 5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 136 14.807 1.738 7.063 1.00 0.00 H new ATOM 0 HG21 VAL A 136 16.725 0.137 8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 136 15.109 0.684 9.376 1.00 0.00 H new ATOM 0 HG23 VAL A 136 15.539 -1.039 9.481 1.00 0.00 H new ATOM 2012 N MET A 137 12.386 0.069 5.617 1.00 0.00 N ATOM 2013 CA MET A 137 12.000 0.106 4.212 1.00 0.00 C ATOM 2014 C MET A 137 13.090 0.740 3.357 1.00 0.00 C ATOM 2015 O MET A 137 13.535 1.854 3.629 1.00 0.00 O ATOM 2016 CB MET A 137 10.683 0.863 4.046 1.00 0.00 C ATOM 2017 CG MET A 137 9.471 0.153 4.632 1.00 0.00 C ATOM 2018 SD MET A 137 7.930 1.035 4.315 1.00 0.00 S ATOM 2019 CE MET A 137 7.949 2.239 5.639 1.00 0.00 C ATOM 0 H MET A 137 12.026 0.845 6.173 1.00 0.00 H new ATOM 0 HA MET A 137 11.863 -0.920 3.871 1.00 0.00 H new ATOM 0 HB2 MET A 137 10.779 1.841 4.517 1.00 0.00 H new ATOM 0 HB3 MET A 137 10.509 1.036 2.984 1.00 0.00 H new ATOM 0 HG2 MET A 137 9.404 -0.850 4.212 1.00 0.00 H new ATOM 0 HG3 MET A 137 9.606 0.040 5.708 1.00 0.00 H new ATOM 0 HE1 MET A 137 7.125 2.939 5.506 1.00 0.00 H new ATOM 0 HE2 MET A 137 7.841 1.729 6.596 1.00 0.00 H new ATOM 0 HE3 MET A 137 8.893 2.783 5.623 1.00 0.00 H new ATOM 2029 N LYS A 138 13.515 0.024 2.322 1.00 0.00 N ATOM 2030 CA LYS A 138 14.635 0.460 1.497 1.00 0.00 C ATOM 2031 C LYS A 138 14.154 1.261 0.294 1.00 0.00 C ATOM 2032 O LYS A 138 14.681 2.333 -0.001 1.00 0.00 O ATOM 2033 CB LYS A 138 15.459 -0.742 1.033 1.00 0.00 C ATOM 2034 CG LYS A 138 16.634 -0.389 0.131 1.00 0.00 C ATOM 2035 CD LYS A 138 17.449 -1.624 -0.223 1.00 0.00 C ATOM 2036 CE LYS A 138 18.663 -1.264 -1.067 1.00 0.00 C ATOM 2037 NZ LYS A 138 19.526 -2.446 -1.334 1.00 0.00 N ATOM 0 H LYS A 138 13.100 -0.862 2.034 1.00 0.00 H new ATOM 0 HA LYS A 138 15.266 1.107 2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 138 15.835 -1.269 1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 138 14.804 -1.433 0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 138 16.267 0.081 -0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 138 17.272 0.340 0.630 1.00 0.00 H new ATOM 0 HD2 LYS A 138 17.774 -2.122 0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 138 16.823 -2.332 -0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 138 18.333 -0.835 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 138 19.246 -0.498 -0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 20.341 -2.157 -1.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 19.863 -2.841 -0.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 18.978 -3.168 -1.845 1.00 0.00 H new ATOM 2051 N GLU A 139 13.149 0.734 -0.398 1.00 0.00 N ATOM 2052 CA GLU A 139 12.631 1.371 -1.601 1.00 0.00 C ATOM 2053 C GLU A 139 11.142 1.098 -1.772 1.00 0.00 C ATOM 2054 O GLU A 139 10.738 -0.019 -2.095 1.00 0.00 O ATOM 2055 CB GLU A 139 13.393 0.882 -2.835 1.00 0.00 C ATOM 2056 CG GLU A 139 12.871 1.429 -4.156 1.00 0.00 C ATOM 2057 CD GLU A 139 13.637 0.919 -5.345 1.00 0.00 C ATOM 2058 OE1 GLU A 139 14.665 0.316 -5.151 1.00 0.00 O ATOM 2059 OE2 GLU A 139 13.193 1.133 -6.449 1.00 0.00 O ATOM 0 H GLU A 139 12.677 -0.134 -0.145 1.00 0.00 H new ATOM 0 HA GLU A 139 12.773 2.446 -1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 139 14.442 1.158 -2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 139 13.351 -0.207 -2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 139 11.820 1.160 -4.265 1.00 0.00 H new ATOM 0 HG3 GLU A 139 12.921 2.518 -4.138 1.00 0.00 H new ATOM 2066 N VAL A 140 10.329 2.125 -1.554 1.00 0.00 N ATOM 2067 CA VAL A 140 8.900 2.043 -1.831 1.00 0.00 C ATOM 2068 C VAL A 140 8.537 2.822 -3.088 1.00 0.00 C ATOM 2069 O VAL A 140 8.742 4.033 -3.162 1.00 0.00 O ATOM 2070 CB VAL A 140 8.092 2.593 -0.640 1.00 0.00 C ATOM 2071 CG1 VAL A 140 6.599 2.498 -0.920 1.00 0.00 C ATOM 2072 CG2 VAL A 140 8.452 1.831 0.626 1.00 0.00 C ATOM 0 H VAL A 140 10.636 3.025 -1.186 1.00 0.00 H new ATOM 0 HA VAL A 140 8.653 0.993 -1.987 1.00 0.00 H new ATOM 0 HB VAL A 140 8.343 3.644 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 140 6.043 2.891 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 140 6.358 3.079 -1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.325 1.456 -1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 140 7.877 2.225 1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 140 8.221 0.774 0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 140 9.516 1.947 0.830 1.00 0.00 H new ATOM 2082 N LYS A 141 7.996 2.118 -4.079 1.00 0.00 N ATOM 2083 CA LYS A 141 7.685 2.724 -5.367 1.00 0.00 C ATOM 2084 C LYS A 141 6.254 2.414 -5.791 1.00 0.00 C ATOM 2085 O LYS A 141 5.715 1.356 -5.466 1.00 0.00 O ATOM 2086 CB LYS A 141 8.666 2.240 -6.437 1.00 0.00 C ATOM 2087 CG LYS A 141 10.107 2.678 -6.214 1.00 0.00 C ATOM 2088 CD LYS A 141 10.267 4.177 -6.424 1.00 0.00 C ATOM 2089 CE LYS A 141 11.686 4.631 -6.110 1.00 0.00 C ATOM 2090 NZ LYS A 141 12.690 3.962 -6.980 1.00 0.00 N ATOM 0 H LYS A 141 7.764 1.127 -4.013 1.00 0.00 H new ATOM 0 HA LYS A 141 7.782 3.804 -5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 141 8.632 1.151 -6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 141 8.334 2.606 -7.409 1.00 0.00 H new ATOM 0 HG2 LYS A 141 10.417 2.415 -5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 141 10.763 2.140 -6.899 1.00 0.00 H new ATOM 0 HD2 LYS A 141 10.022 4.430 -7.455 1.00 0.00 H new ATOM 0 HD3 LYS A 141 9.562 4.713 -5.788 1.00 0.00 H new ATOM 0 HE2 LYS A 141 11.758 5.711 -6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 141 11.912 4.418 -5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 13.613 4.428 -6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 12.772 2.961 -6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 12.388 4.028 -7.973 1.00 0.00 H new ATOM 2104 N VAL A 142 5.643 3.345 -6.516 1.00 0.00 N ATOM 2105 CA VAL A 142 4.296 3.147 -7.039 1.00 0.00 C ATOM 2106 C VAL A 142 4.201 3.582 -8.495 1.00 0.00 C ATOM 2107 O VAL A 142 4.763 4.605 -8.886 1.00 0.00 O ATOM 2108 CB VAL A 142 3.277 3.940 -6.201 1.00 0.00 C ATOM 2109 CG1 VAL A 142 1.880 3.800 -6.789 1.00 0.00 C ATOM 2110 CG2 VAL A 142 3.305 3.461 -4.758 1.00 0.00 C ATOM 0 H VAL A 142 6.060 4.245 -6.755 1.00 0.00 H new ATOM 0 HA VAL A 142 4.070 2.082 -6.978 1.00 0.00 H new ATOM 0 HB VAL A 142 3.549 4.995 -6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.172 4.367 -6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.874 4.184 -7.809 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.592 2.749 -6.795 1.00 0.00 H new ATOM 0 HG21 VAL A 142 2.581 4.028 -4.172 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.052 2.401 -4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.302 3.610 -4.344 1.00 0.00 H new ATOM 2120 N PHE A 143 3.486 2.798 -9.295 1.00 0.00 N ATOM 2121 CA PHE A 143 3.341 3.086 -10.718 1.00 0.00 C ATOM 2122 C PHE A 143 1.954 2.699 -11.218 1.00 0.00 C ATOM 2123 O PHE A 143 1.223 1.971 -10.548 1.00 0.00 O ATOM 2124 CB PHE A 143 4.406 2.341 -11.525 1.00 0.00 C ATOM 2125 CG PHE A 143 4.353 0.849 -11.367 1.00 0.00 C ATOM 2126 CD1 PHE A 143 5.000 0.225 -10.311 1.00 0.00 C ATOM 2127 CD2 PHE A 143 3.656 0.065 -12.275 1.00 0.00 C ATOM 2128 CE1 PHE A 143 4.954 -1.148 -10.165 1.00 0.00 C ATOM 2129 CE2 PHE A 143 3.608 -1.309 -12.130 1.00 0.00 C ATOM 2130 CZ PHE A 143 4.257 -1.915 -11.076 1.00 0.00 C ATOM 0 H PHE A 143 2.998 1.959 -8.983 1.00 0.00 H new ATOM 0 HA PHE A 143 3.472 4.159 -10.855 1.00 0.00 H new ATOM 0 HB2 PHE A 143 4.289 2.590 -12.580 1.00 0.00 H new ATOM 0 HB3 PHE A 143 5.392 2.694 -11.222 1.00 0.00 H new ATOM 0 HD1 PHE A 143 5.547 0.820 -9.594 1.00 0.00 H new ATOM 0 HD2 PHE A 143 3.146 0.533 -13.104 1.00 0.00 H new ATOM 0 HE1 PHE A 143 5.463 -1.621 -9.338 1.00 0.00 H new ATOM 0 HE2 PHE A 143 3.061 -1.908 -12.843 1.00 0.00 H new ATOM 0 HZ PHE A 143 4.220 -2.988 -10.963 1.00 0.00 H new ATOM 2140 N ASP A 144 1.600 3.189 -12.401 1.00 0.00 N ATOM 2141 CA ASP A 144 0.284 2.934 -12.973 1.00 0.00 C ATOM 2142 C ASP A 144 0.221 1.554 -13.616 1.00 0.00 C ATOM 2143 O ASP A 144 1.171 1.117 -14.264 1.00 0.00 O ATOM 2144 CB ASP A 144 -0.068 4.003 -14.010 1.00 0.00 C ATOM 2145 CG ASP A 144 -0.289 5.378 -13.393 1.00 0.00 C ATOM 2146 OD1 ASP A 144 -1.023 5.467 -12.438 1.00 0.00 O ATOM 2147 OD2 ASP A 144 0.279 6.325 -13.882 1.00 0.00 O ATOM 0 H ASP A 144 2.207 3.766 -12.983 1.00 0.00 H new ATOM 0 HA ASP A 144 -0.442 2.971 -12.161 1.00 0.00 H new ATOM 0 HB2 ASP A 144 0.733 4.065 -14.746 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -0.969 3.701 -14.544 1.00 0.00 H new ATOM 2152 N GLU A 145 -0.904 0.871 -13.431 1.00 0.00 N ATOM 2153 CA GLU A 145 -1.105 -0.449 -14.018 1.00 0.00 C ATOM 2154 C GLU A 145 -2.585 -0.802 -14.087 1.00 0.00 C ATOM 2155 O GLU A 145 -3.073 -1.626 -13.315 1.00 0.00 O ATOM 2156 CB GLU A 145 -0.355 -1.510 -13.210 1.00 0.00 C ATOM 2157 CG GLU A 145 -0.464 -2.920 -13.771 1.00 0.00 C ATOM 2158 CD GLU A 145 0.225 -3.078 -15.098 1.00 0.00 C ATOM 2159 OE1 GLU A 145 0.914 -2.171 -15.499 1.00 0.00 O ATOM 2160 OE2 GLU A 145 0.063 -4.106 -15.711 1.00 0.00 O ATOM 0 H GLU A 145 -1.691 1.210 -12.878 1.00 0.00 H new ATOM 0 HA GLU A 145 -0.711 -0.426 -15.034 1.00 0.00 H new ATOM 0 HB2 GLU A 145 0.698 -1.233 -13.158 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -0.736 -1.508 -12.189 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -0.034 -3.623 -13.058 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -1.517 -3.181 -13.881 1.00 0.00 H new ATOM 2167 N PRO A 146 -3.294 -0.172 -15.018 1.00 0.00 N ATOM 2168 CA PRO A 146 -4.708 -0.462 -15.229 1.00 0.00 C ATOM 2169 C PRO A 146 -4.940 -1.952 -15.438 1.00 0.00 C ATOM 2170 O PRO A 146 -5.533 -2.459 -14.812 1.00 0.00 O ATOM 2171 CB PRO A 146 -5.041 0.344 -16.489 1.00 0.00 C ATOM 2172 CG PRO A 146 -4.079 1.483 -16.459 1.00 0.00 C ATOM 2173 CD PRO A 146 -2.804 0.883 -15.931 1.00 0.00 C ATOM 2174 OXT PRO A 146 -4.411 -2.519 -16.354 1.00 0.00 O ATOM 0 HA PRO A 146 -5.335 -0.197 -14.377 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -4.919 -0.257 -17.390 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -6.073 0.694 -16.477 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -3.936 1.909 -17.452 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -4.436 2.287 -15.816 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -2.188 0.472 -16.731 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -2.196 1.621 -15.408 1.00 0.00 H new