USER MOD reduce.3.24.130724 H: found=0, std=0, add=998, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 994 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 118 GLN : amide:sc= -0.457 K(o=-0.09,f=0.76) USER MOD Set 1.2: A 119 HIS : no HE2:sc= 0.367 K(o=-0.09,f=-2.7!) USER MOD Set 2.1: A 107 SER OG : rot 64:sc= 1.28 USER MOD Set 2.2: A 129 GLN : amide:sc= 0.00724 K(o=1.3,f=-2.3) USER MOD Set 3.1: A 39 ASN : amide:sc= -0.501 K(o=-2.1,f=-6.2!) USER MOD Set 3.2: A 42 GLN : amide:sc= -1.58 K(o=-2.1,f=-0.61) USER MOD Set 4.1: A 1 MET CE :methyl -165:sc= 0 (180deg=0) USER MOD Set 4.2: A 4 ASN : amide:sc= -0.221 K(o=-0.22,f=-3.6) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0665 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= 1.09 (180deg=1.04) USER MOD Single : A 7 CYS SG : rot -27:sc= 0.187 USER MOD Single : A 10 THR OG1 : rot -36:sc= 0.951 USER MOD Single : A 13 GLN : amide:sc= -2.13 K(o=-2.1,f=-0.38) USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= 1.03 (180deg=0.582) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot -130:sc= -2.61! USER MOD Single : A 33 THR OG1 : rot 11:sc= 0.797 USER MOD Single : A 34 SER OG : rot 23:sc= -1.9 USER MOD Single : A 37 CYS SG : rot -60:sc= -1.74 USER MOD Single : A 44 GLN : amide:sc= -1.57! K(o=-1.6!,f=-0.12) USER MOD Single : A 47 MET CE :methyl 163:sc= -0.0413 (180deg=-0.388) USER MOD Single : A 53 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.83) USER MOD Single : A 54 TYR OH : rot -70:sc=-0.00156 USER MOD Single : A 60 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.8!) USER MOD Single : A 61 HIS : no HE2:sc= 0.991 K(o=0.99,f=-3.2!) USER MOD Single : A 69 LYS NZ :NH3+ -179:sc= 1.34 (180deg=1.22) USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= -0.0272 (180deg=-0.174) USER MOD Single : A 74 SER OG : rot 0:sc= 0.666 USER MOD Single : A 79 GLN : amide:sc= -5.77! C(o=-5.8!,f=-8!) USER MOD Single : A 81 HIS : no HD1:sc= -0.663 K(o=-0.66,f=-1.9) USER MOD Single : A 83 ASN : amide:sc= -0.0203 X(o=-0.02,f=0.39) USER MOD Single : A 86 GLN : amide:sc= -0.993 K(o=-0.99,f=-0.0011) USER MOD Single : A 88 TYR OH : rot 159:sc= 0.593 USER MOD Single : A 91 THR OG1 : rot 66:sc= 1.26 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 150:sc= 1.27 (180deg=0.886) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.484 10.102 -16.212 1.00 0.00 N ATOM 2 CA MET A 1 -8.813 10.693 -14.925 1.00 0.00 C ATOM 3 C MET A 1 -7.741 10.292 -13.941 1.00 0.00 C ATOM 4 O MET A 1 -7.258 9.156 -13.989 1.00 0.00 O ATOM 5 CB MET A 1 -10.201 10.229 -14.462 1.00 0.00 C ATOM 6 CG MET A 1 -10.747 10.999 -13.269 1.00 0.00 C ATOM 7 SD MET A 1 -12.423 10.498 -12.836 1.00 0.00 S ATOM 8 CE MET A 1 -12.788 11.663 -11.525 1.00 0.00 C ATOM 0 H1 MET A 1 -9.348 9.725 -16.652 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.068 10.827 -16.831 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.800 9.330 -16.075 1.00 0.00 H new ATOM 0 HA MET A 1 -8.849 11.780 -15.001 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.900 10.324 -15.293 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.152 9.171 -14.206 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.092 10.846 -12.411 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.736 12.066 -13.493 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.666 11.327 -10.973 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.936 11.727 -10.848 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.984 12.645 -11.955 1.00 0.00 H new ATOM 20 N GLY A 2 -7.361 11.208 -13.069 1.00 0.00 N ATOM 21 CA GLY A 2 -6.261 10.972 -12.166 1.00 0.00 C ATOM 22 C GLY A 2 -6.630 10.203 -10.918 1.00 0.00 C ATOM 23 O GLY A 2 -7.452 9.271 -10.946 1.00 0.00 O ATOM 0 H GLY A 2 -7.802 12.122 -12.971 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.482 10.426 -12.697 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -5.835 11.932 -11.874 1.00 0.00 H new ATOM 27 N GLU A 3 -6.038 10.600 -9.831 1.00 0.00 N ATOM 28 CA GLU A 3 -6.192 9.931 -8.572 1.00 0.00 C ATOM 29 C GLU A 3 -7.501 10.286 -7.924 1.00 0.00 C ATOM 30 O GLU A 3 -7.931 11.441 -7.929 1.00 0.00 O ATOM 31 CB GLU A 3 -5.065 10.306 -7.659 1.00 0.00 C ATOM 32 CG GLU A 3 -3.702 9.996 -8.216 1.00 0.00 C ATOM 33 CD GLU A 3 -2.657 10.663 -7.417 1.00 0.00 C ATOM 34 OE1 GLU A 3 -2.480 11.880 -7.582 1.00 0.00 O ATOM 35 OE2 GLU A 3 -2.026 10.014 -6.564 1.00 0.00 O ATOM 0 H GLU A 3 -5.423 11.413 -9.793 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.179 8.857 -8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.125 11.373 -7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.188 9.781 -6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.538 8.918 -8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.642 10.326 -9.253 1.00 0.00 H new ATOM 42 N ASN A 4 -8.090 9.306 -7.327 1.00 0.00 N ATOM 43 CA ASN A 4 -9.372 9.415 -6.659 1.00 0.00 C ATOM 44 C ASN A 4 -9.231 8.700 -5.348 1.00 0.00 C ATOM 45 O ASN A 4 -10.181 8.124 -4.832 1.00 0.00 O ATOM 46 CB ASN A 4 -10.477 8.752 -7.521 1.00 0.00 C ATOM 47 CG ASN A 4 -10.871 9.568 -8.734 1.00 0.00 C ATOM 48 OD1 ASN A 4 -11.812 10.339 -8.678 1.00 0.00 O ATOM 49 ND2 ASN A 4 -10.150 9.439 -9.820 1.00 0.00 N ATOM 0 H ASN A 4 -7.690 8.369 -7.281 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.654 10.457 -6.507 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.131 7.772 -7.850 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.359 8.587 -6.902 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.371 9.992 -10.648 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -9.367 8.785 -9.838 1.00 0.00 H new ATOM 56 N LYS A 5 -8.014 8.792 -4.801 1.00 0.00 N ATOM 57 CA LYS A 5 -7.601 8.066 -3.601 1.00 0.00 C ATOM 58 C LYS A 5 -8.528 8.276 -2.397 1.00 0.00 C ATOM 59 O LYS A 5 -8.495 9.304 -1.713 1.00 0.00 O ATOM 60 CB LYS A 5 -6.112 8.327 -3.212 1.00 0.00 C ATOM 61 CG LYS A 5 -5.746 9.766 -2.819 1.00 0.00 C ATOM 62 CD LYS A 5 -4.327 9.851 -2.232 1.00 0.00 C ATOM 63 CE LYS A 5 -3.242 9.632 -3.282 1.00 0.00 C ATOM 64 NZ LYS A 5 -3.166 10.742 -4.252 1.00 0.00 N ATOM 0 H LYS A 5 -7.278 9.383 -5.188 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.689 7.016 -3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.857 7.671 -2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.484 8.033 -4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.817 10.412 -3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.465 10.138 -2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.187 10.828 -1.769 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.219 9.107 -1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.278 9.520 -2.786 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.437 8.701 -3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.371 10.580 -4.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.053 10.791 -4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.020 11.638 -3.744 1.00 0.00 H new ATOM 78 N VAL A 6 -9.382 7.319 -2.186 1.00 0.00 N ATOM 79 CA VAL A 6 -10.233 7.318 -1.037 1.00 0.00 C ATOM 80 C VAL A 6 -9.518 6.731 0.168 1.00 0.00 C ATOM 81 O VAL A 6 -8.992 5.626 0.112 1.00 0.00 O ATOM 82 CB VAL A 6 -11.582 6.581 -1.283 1.00 0.00 C ATOM 83 CG1 VAL A 6 -12.481 7.408 -2.187 1.00 0.00 C ATOM 84 CG2 VAL A 6 -11.366 5.192 -1.894 1.00 0.00 C ATOM 0 H VAL A 6 -9.507 6.519 -2.806 1.00 0.00 H new ATOM 0 HA VAL A 6 -10.475 8.361 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.064 6.452 -0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.420 6.879 -2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.683 8.370 -1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.985 7.569 -3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.331 4.709 -2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.850 5.291 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -10.763 4.587 -1.217 1.00 0.00 H new ATOM 94 N CYS A 7 -9.491 7.492 1.218 1.00 0.00 N ATOM 95 CA CYS A 7 -8.926 7.107 2.493 1.00 0.00 C ATOM 96 C CYS A 7 -10.045 6.485 3.302 1.00 0.00 C ATOM 97 O CYS A 7 -11.183 6.519 2.826 1.00 0.00 O ATOM 98 CB CYS A 7 -8.324 8.328 3.176 1.00 0.00 C ATOM 99 SG CYS A 7 -7.009 9.092 2.193 1.00 0.00 S ATOM 0 H CYS A 7 -9.875 8.437 1.220 1.00 0.00 H new ATOM 0 HA CYS A 7 -8.118 6.384 2.381 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -9.109 9.062 3.360 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.925 8.037 4.148 1.00 0.00 H new ATOM 0 HG CYS A 7 -6.453 8.192 1.438 1.00 0.00 H new ATOM 105 N GLY A 8 -9.719 5.860 4.470 1.00 0.00 N ATOM 106 CA GLY A 8 -10.677 5.084 5.253 1.00 0.00 C ATOM 107 C GLY A 8 -12.056 5.652 5.265 1.00 0.00 C ATOM 108 O GLY A 8 -12.284 6.744 5.760 1.00 0.00 O ATOM 0 H GLY A 8 -8.785 5.891 4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.717 4.070 4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.317 5.011 6.279 1.00 0.00 H new ATOM 112 N LEU A 9 -12.960 4.911 4.714 1.00 0.00 N ATOM 113 CA LEU A 9 -14.278 5.361 4.513 1.00 0.00 C ATOM 114 C LEU A 9 -15.213 4.217 4.815 1.00 0.00 C ATOM 115 O LEU A 9 -14.792 3.068 4.835 1.00 0.00 O ATOM 116 CB LEU A 9 -14.393 5.819 3.066 1.00 0.00 C ATOM 117 CG LEU A 9 -15.647 6.560 2.653 1.00 0.00 C ATOM 118 CD1 LEU A 9 -15.862 7.784 3.534 1.00 0.00 C ATOM 119 CD2 LEU A 9 -15.502 6.972 1.211 1.00 0.00 C ATOM 0 H LEU A 9 -12.790 3.959 4.388 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.537 6.195 5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.539 6.461 2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.300 4.940 2.429 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.514 5.910 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.768 8.303 3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.963 7.471 4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.008 8.455 3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -16.397 7.508 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.633 7.621 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.371 6.085 0.591 1.00 0.00 H new ATOM 131 N THR A 10 -16.453 4.524 5.034 1.00 0.00 N ATOM 132 CA THR A 10 -17.405 3.533 5.467 1.00 0.00 C ATOM 133 C THR A 10 -18.719 3.749 4.737 1.00 0.00 C ATOM 134 O THR A 10 -19.796 3.314 5.173 1.00 0.00 O ATOM 135 CB THR A 10 -17.582 3.618 7.021 1.00 0.00 C ATOM 136 OG1 THR A 10 -18.571 2.695 7.479 1.00 0.00 O ATOM 137 CG2 THR A 10 -17.952 5.031 7.460 1.00 0.00 C ATOM 0 H THR A 10 -16.839 5.461 4.920 1.00 0.00 H new ATOM 0 HA THR A 10 -17.046 2.532 5.228 1.00 0.00 H new ATOM 0 HB THR A 10 -16.624 3.355 7.468 1.00 0.00 H new ATOM 0 HG1 THR A 10 -19.292 2.634 6.818 1.00 0.00 H new ATOM 0 HG21 THR A 10 -18.068 5.057 8.544 1.00 0.00 H new ATOM 0 HG22 THR A 10 -17.164 5.723 7.163 1.00 0.00 H new ATOM 0 HG23 THR A 10 -18.889 5.325 6.988 1.00 0.00 H new ATOM 145 N ARG A 11 -18.627 4.409 3.621 1.00 0.00 N ATOM 146 CA ARG A 11 -19.782 4.774 2.868 1.00 0.00 C ATOM 147 C ARG A 11 -19.587 4.248 1.457 1.00 0.00 C ATOM 148 O ARG A 11 -18.725 4.736 0.738 1.00 0.00 O ATOM 149 CB ARG A 11 -19.893 6.289 2.831 1.00 0.00 C ATOM 150 CG ARG A 11 -19.756 6.992 4.158 1.00 0.00 C ATOM 151 CD ARG A 11 -19.738 8.486 3.947 1.00 0.00 C ATOM 152 NE ARG A 11 -19.362 9.195 5.158 1.00 0.00 N ATOM 153 CZ ARG A 11 -18.621 10.300 5.196 1.00 0.00 C ATOM 154 NH1 ARG A 11 -18.065 10.788 4.085 1.00 0.00 N ATOM 155 NH2 ARG A 11 -18.387 10.880 6.356 1.00 0.00 N ATOM 0 H ARG A 11 -17.744 4.709 3.209 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.687 4.361 3.313 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.127 6.674 2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -20.859 6.553 2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -20.584 6.718 4.812 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -18.839 6.675 4.655 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -19.038 8.732 3.149 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -20.723 8.819 3.621 1.00 0.00 H new ATOM 0 HE ARG A 11 -19.691 8.817 6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -18.206 10.313 3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -17.499 11.636 4.128 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -18.772 10.482 7.212 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -17.821 11.727 6.398 1.00 0.00 H new ATOM 169 N GLY A 12 -20.362 3.258 1.105 1.00 0.00 N ATOM 170 CA GLY A 12 -20.299 2.570 -0.176 1.00 0.00 C ATOM 171 C GLY A 12 -20.327 3.471 -1.378 1.00 0.00 C ATOM 172 O GLY A 12 -19.486 3.387 -2.264 1.00 0.00 O ATOM 0 H GLY A 12 -21.086 2.887 1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -19.387 1.974 -0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -21.136 1.875 -0.241 1.00 0.00 H new ATOM 176 N GLN A 13 -21.258 4.354 -1.372 1.00 0.00 N ATOM 177 CA GLN A 13 -21.518 5.223 -2.482 1.00 0.00 C ATOM 178 C GLN A 13 -20.554 6.399 -2.486 1.00 0.00 C ATOM 179 O GLN A 13 -20.332 7.041 -3.506 1.00 0.00 O ATOM 180 CB GLN A 13 -22.992 5.678 -2.497 1.00 0.00 C ATOM 181 CG GLN A 13 -24.027 4.584 -2.847 1.00 0.00 C ATOM 182 CD GLN A 13 -24.117 3.370 -1.889 1.00 0.00 C ATOM 183 OE1 GLN A 13 -24.438 2.269 -2.321 1.00 0.00 O ATOM 184 NE2 GLN A 13 -23.834 3.539 -0.612 1.00 0.00 N ATOM 0 H GLN A 13 -21.881 4.503 -0.579 1.00 0.00 H new ATOM 0 HA GLN A 13 -21.349 4.665 -3.403 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -23.238 6.084 -1.516 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -23.095 6.492 -3.214 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -25.011 5.051 -2.895 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -23.802 4.211 -3.846 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -23.568 4.461 -0.266 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -23.881 2.748 0.030 1.00 0.00 H new ATOM 193 N ASP A 14 -19.967 6.662 -1.351 1.00 0.00 N ATOM 194 CA ASP A 14 -18.957 7.708 -1.245 1.00 0.00 C ATOM 195 C ASP A 14 -17.639 7.121 -1.746 1.00 0.00 C ATOM 196 O ASP A 14 -16.857 7.766 -2.432 1.00 0.00 O ATOM 197 CB ASP A 14 -18.823 8.157 0.218 1.00 0.00 C ATOM 198 CG ASP A 14 -18.033 9.446 0.417 1.00 0.00 C ATOM 199 OD1 ASP A 14 -17.864 10.231 -0.531 1.00 0.00 O ATOM 200 OD2 ASP A 14 -17.573 9.709 1.550 1.00 0.00 O ATOM 0 H ASP A 14 -20.163 6.172 -0.478 1.00 0.00 H new ATOM 0 HA ASP A 14 -19.234 8.579 -1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -19.821 8.290 0.636 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.342 7.361 0.786 1.00 0.00 H new ATOM 205 N ALA A 15 -17.448 5.856 -1.434 1.00 0.00 N ATOM 206 CA ALA A 15 -16.275 5.091 -1.819 1.00 0.00 C ATOM 207 C ALA A 15 -16.287 4.807 -3.307 1.00 0.00 C ATOM 208 O ALA A 15 -15.236 4.823 -3.967 1.00 0.00 O ATOM 209 CB ALA A 15 -16.249 3.785 -1.038 1.00 0.00 C ATOM 0 H ALA A 15 -18.121 5.315 -0.891 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.381 5.672 -1.591 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.370 3.207 -1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.210 4.000 0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.148 3.211 -1.260 1.00 0.00 H new ATOM 215 N LYS A 16 -17.484 4.586 -3.854 1.00 0.00 N ATOM 216 CA LYS A 16 -17.628 4.274 -5.260 1.00 0.00 C ATOM 217 C LYS A 16 -17.112 5.375 -6.155 1.00 0.00 C ATOM 218 O LYS A 16 -16.795 5.116 -7.265 1.00 0.00 O ATOM 219 CB LYS A 16 -19.052 3.758 -5.666 1.00 0.00 C ATOM 220 CG LYS A 16 -20.211 4.769 -5.742 1.00 0.00 C ATOM 221 CD LYS A 16 -20.129 5.662 -6.980 1.00 0.00 C ATOM 222 CE LYS A 16 -21.361 6.522 -7.144 1.00 0.00 C ATOM 223 NZ LYS A 16 -21.225 7.456 -8.284 1.00 0.00 N ATOM 0 H LYS A 16 -18.362 4.619 -3.337 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.977 3.416 -5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -18.965 3.281 -6.642 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -19.337 2.981 -4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -21.159 4.230 -5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -20.205 5.392 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -19.249 6.301 -6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -20.000 5.041 -7.866 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -22.232 5.885 -7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -21.536 7.087 -6.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.166 7.673 -8.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -20.772 8.335 -7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.641 7.018 -9.024 1.00 0.00 H new ATOM 237 N ALA A 17 -17.039 6.608 -5.648 1.00 0.00 N ATOM 238 CA ALA A 17 -16.536 7.760 -6.417 1.00 0.00 C ATOM 239 C ALA A 17 -15.146 7.479 -7.031 1.00 0.00 C ATOM 240 O ALA A 17 -14.832 7.948 -8.130 1.00 0.00 O ATOM 241 CB ALA A 17 -16.482 8.998 -5.536 1.00 0.00 C ATOM 0 H ALA A 17 -17.325 6.841 -4.697 1.00 0.00 H new ATOM 0 HA ALA A 17 -17.230 7.935 -7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -16.109 9.842 -6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -17.482 9.226 -5.167 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -15.817 8.815 -4.692 1.00 0.00 H new ATOM 247 N ALA A 18 -14.346 6.672 -6.337 1.00 0.00 N ATOM 248 CA ALA A 18 -13.020 6.302 -6.803 1.00 0.00 C ATOM 249 C ALA A 18 -13.110 5.222 -7.879 1.00 0.00 C ATOM 250 O ALA A 18 -12.282 5.137 -8.788 1.00 0.00 O ATOM 251 CB ALA A 18 -12.197 5.823 -5.634 1.00 0.00 C ATOM 0 H ALA A 18 -14.601 6.260 -5.440 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.538 7.174 -7.246 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.201 5.544 -5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.115 6.621 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.679 4.957 -5.180 1.00 0.00 H new ATOM 257 N TYR A 19 -14.120 4.405 -7.766 1.00 0.00 N ATOM 258 CA TYR A 19 -14.389 3.362 -8.730 1.00 0.00 C ATOM 259 C TYR A 19 -15.117 3.937 -9.931 1.00 0.00 C ATOM 260 O TYR A 19 -14.938 3.477 -11.039 1.00 0.00 O ATOM 261 CB TYR A 19 -15.180 2.215 -8.066 1.00 0.00 C ATOM 262 CG TYR A 19 -16.218 1.543 -8.943 1.00 0.00 C ATOM 263 CD1 TYR A 19 -15.863 0.579 -9.877 1.00 0.00 C ATOM 264 CD2 TYR A 19 -17.556 1.900 -8.846 1.00 0.00 C ATOM 265 CE1 TYR A 19 -16.819 -0.007 -10.687 1.00 0.00 C ATOM 266 CE2 TYR A 19 -18.509 1.325 -9.647 1.00 0.00 C ATOM 267 CZ TYR A 19 -18.141 0.374 -10.564 1.00 0.00 C ATOM 268 OH TYR A 19 -19.095 -0.194 -11.365 1.00 0.00 O ATOM 0 H TYR A 19 -14.789 4.441 -6.997 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.447 2.945 -9.087 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.472 1.459 -7.726 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.678 2.607 -7.179 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.829 0.283 -9.972 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.853 2.647 -8.124 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.534 -0.757 -11.410 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.544 1.620 -9.556 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.972 0.185 -11.148 1.00 0.00 H new ATOM 278 N ASP A 20 -15.894 4.961 -9.686 1.00 0.00 N ATOM 279 CA ASP A 20 -16.677 5.669 -10.714 1.00 0.00 C ATOM 280 C ASP A 20 -15.729 6.260 -11.751 1.00 0.00 C ATOM 281 O ASP A 20 -16.069 6.410 -12.918 1.00 0.00 O ATOM 282 CB ASP A 20 -17.506 6.783 -10.061 1.00 0.00 C ATOM 283 CG ASP A 20 -18.626 7.311 -10.937 1.00 0.00 C ATOM 284 OD1 ASP A 20 -18.373 8.077 -11.889 1.00 0.00 O ATOM 285 OD2 ASP A 20 -19.808 6.976 -10.660 1.00 0.00 O ATOM 0 H ASP A 20 -16.015 5.349 -8.750 1.00 0.00 H new ATOM 0 HA ASP A 20 -17.354 4.969 -11.203 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -17.932 6.407 -9.131 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -16.844 7.608 -9.798 1.00 0.00 H new ATOM 290 N ALA A 21 -14.503 6.536 -11.305 1.00 0.00 N ATOM 291 CA ALA A 21 -13.434 7.013 -12.162 1.00 0.00 C ATOM 292 C ALA A 21 -13.034 5.943 -13.197 1.00 0.00 C ATOM 293 O ALA A 21 -12.414 6.248 -14.213 1.00 0.00 O ATOM 294 CB ALA A 21 -12.242 7.357 -11.311 1.00 0.00 C ATOM 0 H ALA A 21 -14.229 6.431 -10.328 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.783 7.894 -12.700 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.433 7.717 -11.947 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.516 8.134 -10.598 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.912 6.469 -10.771 1.00 0.00 H new ATOM 300 N GLY A 22 -13.362 4.697 -12.911 1.00 0.00 N ATOM 301 CA GLY A 22 -13.082 3.627 -13.835 1.00 0.00 C ATOM 302 C GLY A 22 -12.343 2.510 -13.170 1.00 0.00 C ATOM 303 O GLY A 22 -11.458 1.895 -13.770 1.00 0.00 O ATOM 0 H GLY A 22 -13.821 4.407 -12.048 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.016 3.250 -14.251 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.493 4.009 -14.669 1.00 0.00 H new ATOM 307 N ALA A 23 -12.712 2.255 -11.905 1.00 0.00 N ATOM 308 CA ALA A 23 -12.113 1.211 -11.062 1.00 0.00 C ATOM 309 C ALA A 23 -10.600 1.358 -11.015 1.00 0.00 C ATOM 310 O ALA A 23 -9.878 0.367 -10.926 1.00 0.00 O ATOM 311 CB ALA A 23 -12.505 -0.175 -11.580 1.00 0.00 C ATOM 0 H ALA A 23 -13.448 2.779 -11.432 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.494 1.324 -10.047 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.055 -0.940 -10.947 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.590 -0.278 -11.559 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.149 -0.295 -12.603 1.00 0.00 H new ATOM 317 N ILE A 24 -10.136 2.607 -11.020 1.00 0.00 N ATOM 318 CA ILE A 24 -8.720 2.892 -11.106 1.00 0.00 C ATOM 319 C ILE A 24 -7.965 2.368 -9.906 1.00 0.00 C ATOM 320 O ILE A 24 -7.259 1.385 -10.024 1.00 0.00 O ATOM 321 CB ILE A 24 -8.435 4.413 -11.304 1.00 0.00 C ATOM 322 CG1 ILE A 24 -9.180 4.933 -12.548 1.00 0.00 C ATOM 323 CG2 ILE A 24 -6.927 4.661 -11.448 1.00 0.00 C ATOM 324 CD1 ILE A 24 -8.991 6.416 -12.812 1.00 0.00 C ATOM 0 H ILE A 24 -10.729 3.435 -10.965 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.359 2.367 -11.990 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.793 4.952 -10.427 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.841 4.374 -13.420 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.244 4.729 -12.432 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.745 5.727 -11.585 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.414 4.318 -10.549 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.549 4.114 -12.312 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.548 6.701 -13.705 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.357 6.987 -11.959 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.932 6.627 -12.962 1.00 0.00 H new ATOM 336 N TYR A 25 -8.199 2.962 -8.760 1.00 0.00 N ATOM 337 CA TYR A 25 -7.486 2.612 -7.541 1.00 0.00 C ATOM 338 C TYR A 25 -8.041 3.422 -6.365 1.00 0.00 C ATOM 339 O TYR A 25 -8.721 4.435 -6.571 1.00 0.00 O ATOM 340 CB TYR A 25 -5.960 2.846 -7.751 1.00 0.00 C ATOM 341 CG TYR A 25 -5.403 4.061 -7.162 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.449 5.269 -7.816 1.00 0.00 C ATOM 343 CD2 TYR A 25 -4.818 3.989 -5.935 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.922 6.382 -7.245 1.00 0.00 C ATOM 345 CE2 TYR A 25 -4.290 5.072 -5.356 1.00 0.00 C ATOM 346 CZ TYR A 25 -4.333 6.288 -6.009 1.00 0.00 C ATOM 347 OH TYR A 25 -3.791 7.405 -5.428 1.00 0.00 O ATOM 0 H TYR A 25 -8.889 3.704 -8.640 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.632 1.558 -7.306 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.423 1.990 -7.341 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.761 2.863 -8.823 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.908 5.333 -8.792 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.780 3.040 -5.420 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.966 7.331 -7.758 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.831 4.996 -4.381 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.881 7.206 -5.123 1.00 0.00 H new ATOM 357 N GLY A 26 -7.768 2.962 -5.169 1.00 0.00 N ATOM 358 CA GLY A 26 -8.177 3.621 -3.952 1.00 0.00 C ATOM 359 C GLY A 26 -6.971 3.770 -3.067 1.00 0.00 C ATOM 360 O GLY A 26 -6.061 2.946 -3.153 1.00 0.00 O ATOM 0 H GLY A 26 -7.244 2.101 -5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.607 4.597 -4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.949 3.041 -3.447 1.00 0.00 H new ATOM 364 N GLY A 27 -6.945 4.768 -2.211 1.00 0.00 N ATOM 365 CA GLY A 27 -5.735 5.029 -1.461 1.00 0.00 C ATOM 366 C GLY A 27 -5.987 5.138 0.005 1.00 0.00 C ATOM 367 O GLY A 27 -6.085 6.247 0.558 1.00 0.00 O ATOM 0 H GLY A 27 -7.725 5.397 -2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.017 4.230 -1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.281 5.953 -1.819 1.00 0.00 H new ATOM 371 N LEU A 28 -6.085 4.012 0.631 1.00 0.00 N ATOM 372 CA LEU A 28 -6.354 3.928 2.016 1.00 0.00 C ATOM 373 C LEU A 28 -5.264 3.162 2.703 1.00 0.00 C ATOM 374 O LEU A 28 -4.592 2.341 2.092 1.00 0.00 O ATOM 375 CB LEU A 28 -7.797 3.372 2.343 1.00 0.00 C ATOM 376 CG LEU A 28 -8.329 2.049 1.668 1.00 0.00 C ATOM 377 CD1 LEU A 28 -8.508 2.187 0.162 1.00 0.00 C ATOM 378 CD2 LEU A 28 -7.472 0.831 1.998 1.00 0.00 C ATOM 0 H LEU A 28 -5.976 3.106 0.176 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.360 4.943 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.845 3.222 3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.507 4.163 2.100 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.315 1.884 2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.876 1.247 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.226 2.980 -0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.551 2.433 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.886 -0.049 1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.453 0.997 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.463 0.674 3.077 1.00 0.00 H new ATOM 390 N ILE A 29 -5.058 3.457 3.934 1.00 0.00 N ATOM 391 CA ILE A 29 -4.030 2.781 4.690 1.00 0.00 C ATOM 392 C ILE A 29 -4.541 1.935 5.795 1.00 0.00 C ATOM 393 O ILE A 29 -5.608 2.187 6.341 1.00 0.00 O ATOM 394 CB ILE A 29 -2.906 3.683 5.171 1.00 0.00 C ATOM 395 CG1 ILE A 29 -3.416 5.079 5.583 1.00 0.00 C ATOM 396 CG2 ILE A 29 -1.834 3.726 4.130 1.00 0.00 C ATOM 397 CD1 ILE A 29 -2.338 6.000 6.129 1.00 0.00 C ATOM 0 H ILE A 29 -5.581 4.162 4.454 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.596 2.107 3.951 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.475 3.268 6.082 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.880 5.554 4.718 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.194 4.961 6.337 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.024 4.372 4.469 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.450 2.720 3.961 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.246 4.118 3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.780 6.960 6.395 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.889 5.550 7.014 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.570 6.152 5.370 1.00 0.00 H new ATOM 409 N PHE A 30 -3.744 0.959 6.154 1.00 0.00 N ATOM 410 CA PHE A 30 -4.154 -0.035 7.136 1.00 0.00 C ATOM 411 C PHE A 30 -3.988 0.475 8.558 1.00 0.00 C ATOM 412 O PHE A 30 -2.921 0.310 9.153 1.00 0.00 O ATOM 413 CB PHE A 30 -3.357 -1.352 7.017 1.00 0.00 C ATOM 414 CG PHE A 30 -3.292 -1.984 5.656 1.00 0.00 C ATOM 415 CD1 PHE A 30 -4.359 -2.709 5.134 1.00 0.00 C ATOM 416 CD2 PHE A 30 -2.133 -1.885 4.916 1.00 0.00 C ATOM 417 CE1 PHE A 30 -4.258 -3.315 3.889 1.00 0.00 C ATOM 418 CE2 PHE A 30 -2.029 -2.480 3.687 1.00 0.00 C ATOM 419 CZ PHE A 30 -3.086 -3.196 3.170 1.00 0.00 C ATOM 0 H PHE A 30 -2.803 0.825 5.784 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.206 -0.227 6.922 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.337 -1.163 7.353 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.791 -2.075 7.707 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.273 -2.801 5.702 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.295 -1.330 5.311 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.089 -3.875 3.487 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.114 -2.387 3.121 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.998 -3.665 2.201 1.00 0.00 H new ATOM 429 N VAL A 31 -4.978 1.156 9.071 1.00 0.00 N ATOM 430 CA VAL A 31 -4.988 1.480 10.474 1.00 0.00 C ATOM 431 C VAL A 31 -6.237 0.883 11.075 1.00 0.00 C ATOM 432 O VAL A 31 -7.348 1.134 10.591 1.00 0.00 O ATOM 433 CB VAL A 31 -4.897 2.997 10.778 1.00 0.00 C ATOM 434 CG1 VAL A 31 -4.895 3.244 12.281 1.00 0.00 C ATOM 435 CG2 VAL A 31 -3.660 3.611 10.137 1.00 0.00 C ATOM 0 H VAL A 31 -5.783 1.495 8.544 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.089 1.057 10.922 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.776 3.478 10.348 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.831 4.315 12.474 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.815 2.852 12.715 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.038 2.742 12.731 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.622 4.676 10.367 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.767 3.123 10.528 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.704 3.474 9.057 1.00 0.00 H new ATOM 445 N ALA A 32 -6.033 0.064 12.090 1.00 0.00 N ATOM 446 CA ALA A 32 -7.065 -0.707 12.746 1.00 0.00 C ATOM 447 C ALA A 32 -8.307 0.099 13.119 1.00 0.00 C ATOM 448 O ALA A 32 -8.303 0.898 14.066 1.00 0.00 O ATOM 449 CB ALA A 32 -6.500 -1.398 13.968 1.00 0.00 C ATOM 0 H ALA A 32 -5.108 -0.086 12.493 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.399 -1.445 12.016 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.285 -1.976 14.455 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.692 -2.065 13.668 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.115 -0.651 14.663 1.00 0.00 H new ATOM 455 N THR A 33 -9.342 -0.098 12.328 1.00 0.00 N ATOM 456 CA THR A 33 -10.705 0.398 12.549 1.00 0.00 C ATOM 457 C THR A 33 -10.843 1.933 12.591 1.00 0.00 C ATOM 458 O THR A 33 -11.824 2.454 13.114 1.00 0.00 O ATOM 459 CB THR A 33 -11.380 -0.273 13.795 1.00 0.00 C ATOM 460 OG1 THR A 33 -10.611 -0.060 15.005 1.00 0.00 O ATOM 461 CG2 THR A 33 -11.525 -1.766 13.568 1.00 0.00 C ATOM 0 H THR A 33 -9.261 -0.636 11.465 1.00 0.00 H new ATOM 0 HA THR A 33 -11.249 0.092 11.655 1.00 0.00 H new ATOM 0 HB THR A 33 -12.359 0.190 13.919 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.914 0.608 14.836 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.995 -2.223 14.439 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.144 -1.942 12.688 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.541 -2.208 13.413 1.00 0.00 H new ATOM 469 N SER A 34 -9.900 2.641 12.013 1.00 0.00 N ATOM 470 CA SER A 34 -9.990 4.080 11.985 1.00 0.00 C ATOM 471 C SER A 34 -10.823 4.556 10.775 1.00 0.00 C ATOM 472 O SER A 34 -10.638 4.076 9.673 1.00 0.00 O ATOM 473 CB SER A 34 -8.589 4.679 11.962 1.00 0.00 C ATOM 474 OG SER A 34 -7.820 4.135 10.902 1.00 0.00 O ATOM 0 H SER A 34 -9.073 2.250 11.562 1.00 0.00 H new ATOM 0 HA SER A 34 -10.501 4.422 12.885 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.654 5.761 11.850 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.092 4.486 12.913 1.00 0.00 H new ATOM 0 HG SER A 34 -8.419 3.785 10.210 1.00 0.00 H new ATOM 480 N PRO A 35 -11.732 5.521 10.955 1.00 0.00 N ATOM 481 CA PRO A 35 -12.565 6.050 9.854 1.00 0.00 C ATOM 482 C PRO A 35 -11.807 7.050 8.972 1.00 0.00 C ATOM 483 O PRO A 35 -12.399 7.895 8.307 1.00 0.00 O ATOM 484 CB PRO A 35 -13.690 6.749 10.588 1.00 0.00 C ATOM 485 CG PRO A 35 -13.069 7.212 11.860 1.00 0.00 C ATOM 486 CD PRO A 35 -12.065 6.157 12.242 1.00 0.00 C ATOM 0 HA PRO A 35 -12.892 5.264 9.173 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -14.083 7.585 10.010 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.523 6.072 10.776 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.586 8.180 11.728 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.821 7.335 12.639 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -11.185 6.592 12.715 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.484 5.440 12.948 1.00 0.00 H new ATOM 494 N ARG A 36 -10.510 6.969 9.022 1.00 0.00 N ATOM 495 CA ARG A 36 -9.634 7.783 8.197 1.00 0.00 C ATOM 496 C ARG A 36 -8.682 6.889 7.410 1.00 0.00 C ATOM 497 O ARG A 36 -8.059 7.312 6.440 1.00 0.00 O ATOM 498 CB ARG A 36 -8.836 8.766 9.064 1.00 0.00 C ATOM 499 CG ARG A 36 -9.692 9.771 9.829 1.00 0.00 C ATOM 500 CD ARG A 36 -10.517 10.629 8.878 1.00 0.00 C ATOM 501 NE ARG A 36 -9.669 11.383 7.954 1.00 0.00 N ATOM 502 CZ ARG A 36 -10.016 11.759 6.717 1.00 0.00 C ATOM 503 NH1 ARG A 36 -11.192 11.399 6.195 1.00 0.00 N ATOM 504 NH2 ARG A 36 -9.178 12.480 5.997 1.00 0.00 N ATOM 0 H ARG A 36 -10.013 6.330 9.642 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.246 8.355 7.500 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.238 8.199 9.778 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.140 9.311 8.427 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.355 9.241 10.513 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.051 10.410 10.437 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.197 9.993 8.311 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.133 11.320 9.453 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.738 11.643 8.279 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.839 10.830 6.741 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.442 11.693 5.251 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.273 12.747 6.384 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.435 12.770 5.054 1.00 0.00 H new ATOM 518 N CYS A 37 -8.648 5.627 7.782 1.00 0.00 N ATOM 519 CA CYS A 37 -7.712 4.666 7.255 1.00 0.00 C ATOM 520 C CYS A 37 -8.351 3.292 7.381 1.00 0.00 C ATOM 521 O CYS A 37 -8.608 2.825 8.481 1.00 0.00 O ATOM 522 CB CYS A 37 -6.424 4.692 8.075 1.00 0.00 C ATOM 523 SG CYS A 37 -5.555 6.279 8.153 1.00 0.00 S ATOM 0 H CYS A 37 -9.286 5.235 8.475 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.474 4.898 6.217 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.660 4.381 9.093 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.742 3.948 7.664 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.220 6.650 6.953 1.00 0.00 H new ATOM 529 N VAL A 38 -8.585 2.652 6.288 1.00 0.00 N ATOM 530 CA VAL A 38 -9.299 1.416 6.292 1.00 0.00 C ATOM 531 C VAL A 38 -8.364 0.256 6.117 1.00 0.00 C ATOM 532 O VAL A 38 -7.459 0.269 5.298 1.00 0.00 O ATOM 533 CB VAL A 38 -10.437 1.459 5.208 1.00 0.00 C ATOM 534 CG1 VAL A 38 -10.637 0.145 4.505 1.00 0.00 C ATOM 535 CG2 VAL A 38 -11.741 1.879 5.848 1.00 0.00 C ATOM 0 H VAL A 38 -8.288 2.968 5.365 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.778 1.272 7.261 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.121 2.184 4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.436 0.243 3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.714 -0.142 4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.906 -0.620 5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.525 1.907 5.091 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.012 1.164 6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.627 2.869 6.289 1.00 0.00 H new ATOM 545 N ASN A 39 -8.617 -0.739 6.889 1.00 0.00 N ATOM 546 CA ASN A 39 -7.854 -1.937 6.871 1.00 0.00 C ATOM 547 C ASN A 39 -8.629 -2.996 6.203 1.00 0.00 C ATOM 548 O ASN A 39 -9.820 -2.807 5.926 1.00 0.00 O ATOM 549 CB ASN A 39 -7.393 -2.348 8.282 1.00 0.00 C ATOM 550 CG ASN A 39 -8.505 -2.371 9.287 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.827 -1.376 9.886 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.059 -3.476 9.517 1.00 0.00 N ATOM 0 H ASN A 39 -9.379 -0.744 7.568 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.940 -1.766 6.303 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.936 -3.336 8.234 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.621 -1.656 8.620 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.794 -3.541 10.221 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.773 -4.307 9.000 1.00 0.00 H new ATOM 559 N VAL A 40 -7.969 -4.106 5.972 1.00 0.00 N ATOM 560 CA VAL A 40 -8.493 -5.269 5.261 1.00 0.00 C ATOM 561 C VAL A 40 -9.939 -5.648 5.680 1.00 0.00 C ATOM 562 O VAL A 40 -10.746 -6.030 4.851 1.00 0.00 O ATOM 563 CB VAL A 40 -7.507 -6.469 5.428 1.00 0.00 C ATOM 564 CG1 VAL A 40 -7.253 -6.791 6.892 1.00 0.00 C ATOM 565 CG2 VAL A 40 -7.984 -7.693 4.695 1.00 0.00 C ATOM 0 H VAL A 40 -7.007 -4.238 6.285 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.565 -5.005 4.206 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.562 -6.158 4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.562 -7.631 6.965 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.820 -5.921 7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.194 -7.052 7.376 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.270 -8.504 4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.957 -7.994 5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.072 -7.469 3.632 1.00 0.00 H new ATOM 575 N GLU A 41 -10.260 -5.432 6.929 1.00 0.00 N ATOM 576 CA GLU A 41 -11.545 -5.761 7.470 1.00 0.00 C ATOM 577 C GLU A 41 -12.637 -4.876 6.870 1.00 0.00 C ATOM 578 O GLU A 41 -13.596 -5.363 6.280 1.00 0.00 O ATOM 579 CB GLU A 41 -11.503 -5.545 8.941 1.00 0.00 C ATOM 580 CG GLU A 41 -10.557 -6.434 9.700 1.00 0.00 C ATOM 581 CD GLU A 41 -10.602 -6.135 11.167 1.00 0.00 C ATOM 582 OE1 GLU A 41 -10.392 -4.959 11.545 1.00 0.00 O ATOM 583 OE2 GLU A 41 -10.906 -7.038 11.969 1.00 0.00 O ATOM 0 H GLU A 41 -9.622 -5.015 7.607 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.774 -6.800 7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.229 -4.507 9.130 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.507 -5.688 9.340 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.818 -7.479 9.530 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.542 -6.294 9.327 1.00 0.00 H new ATOM 590 N GLN A 42 -12.479 -3.567 7.007 1.00 0.00 N ATOM 591 CA GLN A 42 -13.454 -2.630 6.486 1.00 0.00 C ATOM 592 C GLN A 42 -13.419 -2.623 4.971 1.00 0.00 C ATOM 593 O GLN A 42 -14.445 -2.568 4.320 1.00 0.00 O ATOM 594 CB GLN A 42 -13.133 -1.271 7.018 1.00 0.00 C ATOM 595 CG GLN A 42 -13.179 -1.205 8.515 1.00 0.00 C ATOM 596 CD GLN A 42 -12.418 -0.056 9.002 1.00 0.00 C ATOM 597 OE1 GLN A 42 -12.934 1.033 9.180 1.00 0.00 O ATOM 598 NE2 GLN A 42 -11.183 -0.286 9.239 1.00 0.00 N ATOM 0 H GLN A 42 -11.683 -3.133 7.475 1.00 0.00 H new ATOM 0 HA GLN A 42 -14.456 -2.924 6.799 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.140 -0.978 6.677 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.838 -0.549 6.606 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.214 -1.131 8.850 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.772 -2.124 8.938 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.797 -1.215 9.074 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.584 0.460 9.593 1.00 0.00 H new ATOM 607 N ALA A 43 -12.224 -2.752 4.421 1.00 0.00 N ATOM 608 CA ALA A 43 -12.021 -2.766 2.973 1.00 0.00 C ATOM 609 C ALA A 43 -12.702 -3.957 2.325 1.00 0.00 C ATOM 610 O ALA A 43 -13.004 -3.938 1.144 1.00 0.00 O ATOM 611 CB ALA A 43 -10.547 -2.770 2.652 1.00 0.00 C ATOM 0 H ALA A 43 -11.364 -2.850 4.961 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.474 -1.862 2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.410 -2.780 1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.082 -1.876 3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.083 -3.656 3.085 1.00 0.00 H new ATOM 617 N GLN A 44 -12.974 -4.973 3.119 1.00 0.00 N ATOM 618 CA GLN A 44 -13.631 -6.172 2.657 1.00 0.00 C ATOM 619 C GLN A 44 -15.096 -5.849 2.315 1.00 0.00 C ATOM 620 O GLN A 44 -15.740 -6.546 1.538 1.00 0.00 O ATOM 621 CB GLN A 44 -13.597 -7.211 3.753 1.00 0.00 C ATOM 622 CG GLN A 44 -13.472 -8.631 3.273 1.00 0.00 C ATOM 623 CD GLN A 44 -12.059 -8.941 2.807 1.00 0.00 C ATOM 624 OE1 GLN A 44 -11.855 -9.771 1.930 1.00 0.00 O ATOM 625 NE2 GLN A 44 -11.079 -8.301 3.417 1.00 0.00 N ATOM 0 H GLN A 44 -12.742 -4.986 4.112 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.121 -6.551 1.772 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -12.760 -6.992 4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -14.507 -7.122 4.347 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.749 -9.313 4.077 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.172 -8.802 2.455 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.291 -7.616 4.143 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.110 -8.491 3.163 1.00 0.00 H new ATOM 634 N GLU A 45 -15.608 -4.797 2.920 1.00 0.00 N ATOM 635 CA GLU A 45 -16.950 -4.324 2.649 1.00 0.00 C ATOM 636 C GLU A 45 -16.903 -3.393 1.469 1.00 0.00 C ATOM 637 O GLU A 45 -17.722 -3.462 0.545 1.00 0.00 O ATOM 638 CB GLU A 45 -17.469 -3.538 3.836 1.00 0.00 C ATOM 639 CG GLU A 45 -17.473 -4.312 5.140 1.00 0.00 C ATOM 640 CD GLU A 45 -18.260 -5.592 5.042 1.00 0.00 C ATOM 641 OE1 GLU A 45 -19.480 -5.536 4.776 1.00 0.00 O ATOM 642 OE2 GLU A 45 -17.679 -6.683 5.249 1.00 0.00 O ATOM 0 H GLU A 45 -15.105 -4.245 3.615 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.598 -5.178 2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.859 -2.643 3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.484 -3.205 3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.447 -4.540 5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.894 -3.689 5.929 1.00 0.00 H new ATOM 649 N VAL A 46 -15.912 -2.537 1.505 1.00 0.00 N ATOM 650 CA VAL A 46 -15.722 -1.504 0.520 1.00 0.00 C ATOM 651 C VAL A 46 -15.416 -2.111 -0.870 1.00 0.00 C ATOM 652 O VAL A 46 -15.856 -1.597 -1.885 1.00 0.00 O ATOM 653 CB VAL A 46 -14.595 -0.523 0.962 1.00 0.00 C ATOM 654 CG1 VAL A 46 -14.533 0.670 0.051 1.00 0.00 C ATOM 655 CG2 VAL A 46 -14.794 -0.058 2.402 1.00 0.00 C ATOM 0 H VAL A 46 -15.200 -2.540 2.236 1.00 0.00 H new ATOM 0 HA VAL A 46 -16.651 -0.939 0.438 1.00 0.00 H new ATOM 0 HB VAL A 46 -13.653 -1.067 0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.738 1.339 0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -14.329 0.340 -0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.486 1.198 0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -13.991 0.625 2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.752 0.454 2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.782 -0.921 3.068 1.00 0.00 H new ATOM 665 N MET A 47 -14.715 -3.259 -0.898 1.00 0.00 N ATOM 666 CA MET A 47 -14.367 -3.948 -2.173 1.00 0.00 C ATOM 667 C MET A 47 -15.603 -4.486 -2.871 1.00 0.00 C ATOM 668 O MET A 47 -15.576 -4.797 -4.067 1.00 0.00 O ATOM 669 CB MET A 47 -13.297 -5.070 -1.967 1.00 0.00 C ATOM 670 CG MET A 47 -13.698 -6.260 -1.061 1.00 0.00 C ATOM 671 SD MET A 47 -14.900 -7.420 -1.787 1.00 0.00 S ATOM 672 CE MET A 47 -13.936 -8.110 -3.139 1.00 0.00 C ATOM 0 H MET A 47 -14.376 -3.734 -0.062 1.00 0.00 H new ATOM 0 HA MET A 47 -13.919 -3.197 -2.823 1.00 0.00 H new ATOM 0 HB2 MET A 47 -13.026 -5.465 -2.946 1.00 0.00 H new ATOM 0 HB3 MET A 47 -12.401 -4.612 -1.549 1.00 0.00 H new ATOM 0 HG2 MET A 47 -12.797 -6.814 -0.797 1.00 0.00 H new ATOM 0 HG3 MET A 47 -14.113 -5.866 -0.134 1.00 0.00 H new ATOM 0 HE1 MET A 47 -14.404 -9.031 -3.486 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.894 -7.393 -3.959 1.00 0.00 H new ATOM 0 HE3 MET A 47 -12.925 -8.325 -2.793 1.00 0.00 H new ATOM 682 N ALA A 48 -16.675 -4.596 -2.116 1.00 0.00 N ATOM 683 CA ALA A 48 -17.925 -5.060 -2.635 1.00 0.00 C ATOM 684 C ALA A 48 -18.737 -3.884 -3.147 1.00 0.00 C ATOM 685 O ALA A 48 -19.574 -4.033 -4.029 1.00 0.00 O ATOM 686 CB ALA A 48 -18.687 -5.801 -1.556 1.00 0.00 C ATOM 0 H ALA A 48 -16.695 -4.363 -1.123 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.741 -5.744 -3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.638 -6.152 -1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -18.100 -6.654 -1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -18.873 -5.131 -0.716 1.00 0.00 H new ATOM 692 N ALA A 49 -18.465 -2.717 -2.597 1.00 0.00 N ATOM 693 CA ALA A 49 -19.167 -1.508 -2.967 1.00 0.00 C ATOM 694 C ALA A 49 -18.531 -0.897 -4.196 1.00 0.00 C ATOM 695 O ALA A 49 -19.227 -0.403 -5.089 1.00 0.00 O ATOM 696 CB ALA A 49 -19.150 -0.514 -1.817 1.00 0.00 C ATOM 0 H ALA A 49 -17.751 -2.582 -1.881 1.00 0.00 H new ATOM 0 HA ALA A 49 -20.203 -1.759 -3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.682 0.391 -2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.637 -0.955 -0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.119 -0.264 -1.568 1.00 0.00 H new ATOM 702 N ALA A 50 -17.216 -0.937 -4.245 1.00 0.00 N ATOM 703 CA ALA A 50 -16.481 -0.417 -5.315 1.00 0.00 C ATOM 704 C ALA A 50 -15.387 -1.415 -5.654 1.00 0.00 C ATOM 705 O ALA A 50 -14.411 -1.543 -4.920 1.00 0.00 O ATOM 706 CB ALA A 50 -15.897 0.923 -4.911 1.00 0.00 C ATOM 0 H ALA A 50 -16.640 -1.348 -3.510 1.00 0.00 H new ATOM 0 HA ALA A 50 -17.109 -0.260 -6.192 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.322 1.335 -5.741 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.704 1.609 -4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -15.244 0.790 -4.048 1.00 0.00 H new ATOM 712 N PRO A 51 -15.555 -2.180 -6.741 1.00 0.00 N ATOM 713 CA PRO A 51 -14.581 -3.212 -7.168 1.00 0.00 C ATOM 714 C PRO A 51 -13.287 -2.616 -7.783 1.00 0.00 C ATOM 715 O PRO A 51 -12.754 -3.117 -8.792 1.00 0.00 O ATOM 716 CB PRO A 51 -15.371 -4.000 -8.215 1.00 0.00 C ATOM 717 CG PRO A 51 -16.348 -3.033 -8.768 1.00 0.00 C ATOM 718 CD PRO A 51 -16.732 -2.134 -7.636 1.00 0.00 C ATOM 0 HA PRO A 51 -14.222 -3.810 -6.330 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.715 -4.388 -8.995 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.874 -4.857 -7.767 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -15.910 -2.462 -9.587 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.221 -3.548 -9.169 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -16.935 -1.120 -7.980 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.633 -2.485 -7.133 1.00 0.00 H new ATOM 726 N LEU A 52 -12.764 -1.612 -7.128 1.00 0.00 N ATOM 727 CA LEU A 52 -11.574 -0.910 -7.553 1.00 0.00 C ATOM 728 C LEU A 52 -10.288 -1.567 -6.996 1.00 0.00 C ATOM 729 O LEU A 52 -10.347 -2.589 -6.291 1.00 0.00 O ATOM 730 CB LEU A 52 -11.692 0.593 -7.162 1.00 0.00 C ATOM 731 CG LEU A 52 -12.258 0.894 -5.746 1.00 0.00 C ATOM 732 CD1 LEU A 52 -11.316 0.495 -4.628 1.00 0.00 C ATOM 733 CD2 LEU A 52 -12.667 2.337 -5.604 1.00 0.00 C ATOM 0 H LEU A 52 -13.162 -1.248 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.492 -0.976 -8.638 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.703 1.045 -7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.327 1.089 -7.897 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.147 0.271 -5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.771 0.732 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.120 -0.576 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.378 1.041 -4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.057 2.507 -4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.802 2.979 -5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.438 2.570 -6.338 1.00 0.00 H new ATOM 745 N GLN A 53 -9.154 -0.985 -7.329 1.00 0.00 N ATOM 746 CA GLN A 53 -7.859 -1.446 -6.884 1.00 0.00 C ATOM 747 C GLN A 53 -7.543 -0.919 -5.487 1.00 0.00 C ATOM 748 O GLN A 53 -7.909 0.200 -5.137 1.00 0.00 O ATOM 749 CB GLN A 53 -6.791 -0.983 -7.895 1.00 0.00 C ATOM 750 CG GLN A 53 -5.478 -0.578 -7.268 1.00 0.00 C ATOM 751 CD GLN A 53 -4.421 -0.141 -8.257 1.00 0.00 C ATOM 752 OE1 GLN A 53 -4.709 0.294 -9.351 1.00 0.00 O ATOM 753 NE2 GLN A 53 -3.212 -0.133 -7.821 1.00 0.00 N ATOM 0 H GLN A 53 -9.108 -0.161 -7.929 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.863 -2.535 -6.829 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.608 -1.788 -8.607 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.185 -0.140 -8.462 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.660 0.236 -6.566 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.092 -1.417 -6.689 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.001 -0.506 -6.896 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.463 0.247 -8.400 1.00 0.00 H new ATOM 762 N TYR A 54 -6.862 -1.712 -4.716 1.00 0.00 N ATOM 763 CA TYR A 54 -6.433 -1.321 -3.414 1.00 0.00 C ATOM 764 C TYR A 54 -4.939 -1.309 -3.343 1.00 0.00 C ATOM 765 O TYR A 54 -4.249 -2.113 -4.003 1.00 0.00 O ATOM 766 CB TYR A 54 -6.999 -2.241 -2.339 1.00 0.00 C ATOM 767 CG TYR A 54 -8.459 -2.046 -2.084 1.00 0.00 C ATOM 768 CD1 TYR A 54 -9.421 -2.698 -2.835 1.00 0.00 C ATOM 769 CD2 TYR A 54 -8.872 -1.193 -1.086 1.00 0.00 C ATOM 770 CE1 TYR A 54 -10.756 -2.492 -2.593 1.00 0.00 C ATOM 771 CE2 TYR A 54 -10.199 -0.984 -0.835 1.00 0.00 C ATOM 772 CZ TYR A 54 -11.134 -1.631 -1.587 1.00 0.00 C ATOM 773 OH TYR A 54 -12.446 -1.414 -1.343 1.00 0.00 O ATOM 0 H TYR A 54 -6.587 -2.658 -4.979 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.810 -0.315 -3.229 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.826 -3.276 -2.633 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.453 -2.078 -1.410 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.118 -3.376 -3.619 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.133 -0.679 -0.490 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.503 -3.000 -3.185 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.505 -0.312 -0.047 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.835 -0.899 -2.080 1.00 0.00 H new ATOM 783 N VAL A 55 -4.436 -0.407 -2.580 1.00 0.00 N ATOM 784 CA VAL A 55 -3.045 -0.297 -2.374 1.00 0.00 C ATOM 785 C VAL A 55 -2.832 -0.148 -0.893 1.00 0.00 C ATOM 786 O VAL A 55 -3.687 0.401 -0.202 1.00 0.00 O ATOM 787 CB VAL A 55 -2.421 0.895 -3.173 1.00 0.00 C ATOM 788 CG1 VAL A 55 -2.929 2.252 -2.695 1.00 0.00 C ATOM 789 CG2 VAL A 55 -0.910 0.832 -3.139 1.00 0.00 C ATOM 0 H VAL A 55 -4.991 0.284 -2.075 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.538 -1.187 -2.747 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.748 0.790 -4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.464 3.043 -3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.011 2.299 -2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.676 2.386 -1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.498 1.670 -3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.567 0.884 -2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.575 -0.104 -3.586 1.00 0.00 H new ATOM 799 N GLY A 56 -1.771 -0.689 -0.403 1.00 0.00 N ATOM 800 CA GLY A 56 -1.515 -0.607 0.997 1.00 0.00 C ATOM 801 C GLY A 56 -0.191 0.001 1.286 1.00 0.00 C ATOM 802 O GLY A 56 0.750 -0.262 0.596 1.00 0.00 O ATOM 0 H GLY A 56 -1.068 -1.191 -0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.297 -0.017 1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.558 -1.605 1.433 1.00 0.00 H new ATOM 806 N VAL A 57 -0.124 0.823 2.291 1.00 0.00 N ATOM 807 CA VAL A 57 1.121 1.450 2.697 1.00 0.00 C ATOM 808 C VAL A 57 1.290 1.200 4.183 1.00 0.00 C ATOM 809 O VAL A 57 0.387 1.537 4.962 1.00 0.00 O ATOM 810 CB VAL A 57 1.107 2.998 2.458 1.00 0.00 C ATOM 811 CG1 VAL A 57 2.459 3.628 2.775 1.00 0.00 C ATOM 812 CG2 VAL A 57 0.646 3.364 1.046 1.00 0.00 C ATOM 0 H VAL A 57 -0.928 1.085 2.861 1.00 0.00 H new ATOM 0 HA VAL A 57 1.934 1.028 2.107 1.00 0.00 H new ATOM 0 HB VAL A 57 0.375 3.412 3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.410 4.702 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.710 3.444 3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.224 3.189 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.654 4.448 0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.320 2.916 0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.365 2.989 0.885 1.00 0.00 H new ATOM 822 N PHE A 58 2.385 0.579 4.580 1.00 0.00 N ATOM 823 CA PHE A 58 2.637 0.324 6.000 1.00 0.00 C ATOM 824 C PHE A 58 4.072 -0.160 6.190 1.00 0.00 C ATOM 825 O PHE A 58 4.712 -0.616 5.240 1.00 0.00 O ATOM 826 CB PHE A 58 1.623 -0.727 6.553 1.00 0.00 C ATOM 827 CG PHE A 58 1.656 -0.937 8.054 1.00 0.00 C ATOM 828 CD1 PHE A 58 1.144 0.022 8.914 1.00 0.00 C ATOM 829 CD2 PHE A 58 2.194 -2.089 8.597 1.00 0.00 C ATOM 830 CE1 PHE A 58 1.169 -0.167 10.280 1.00 0.00 C ATOM 831 CE2 PHE A 58 2.222 -2.285 9.961 1.00 0.00 C ATOM 832 CZ PHE A 58 1.710 -1.321 10.804 1.00 0.00 C ATOM 0 H PHE A 58 3.113 0.241 3.951 1.00 0.00 H new ATOM 0 HA PHE A 58 2.502 1.251 6.558 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.617 -0.420 6.268 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.815 -1.683 6.065 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.720 0.929 8.509 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.598 -2.847 7.942 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.765 0.588 10.938 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.644 -3.192 10.369 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.733 -1.470 11.873 1.00 0.00 H new ATOM 842 N ARG A 59 4.613 0.022 7.370 1.00 0.00 N ATOM 843 CA ARG A 59 5.905 -0.537 7.676 1.00 0.00 C ATOM 844 C ARG A 59 5.734 -1.929 8.274 1.00 0.00 C ATOM 845 O ARG A 59 5.509 -2.101 9.472 1.00 0.00 O ATOM 846 CB ARG A 59 6.776 0.414 8.545 1.00 0.00 C ATOM 847 CG ARG A 59 6.140 0.930 9.833 1.00 0.00 C ATOM 848 CD ARG A 59 7.032 1.974 10.508 1.00 0.00 C ATOM 849 NE ARG A 59 8.319 1.411 10.957 1.00 0.00 N ATOM 850 CZ ARG A 59 9.544 1.912 10.686 1.00 0.00 C ATOM 851 NH1 ARG A 59 9.686 3.008 9.921 1.00 0.00 N ATOM 852 NH2 ARG A 59 10.623 1.320 11.190 1.00 0.00 N ATOM 0 H ARG A 59 4.181 0.549 8.129 1.00 0.00 H new ATOM 0 HA ARG A 59 6.468 -0.646 6.749 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.697 -0.108 8.804 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.057 1.273 7.935 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.166 1.367 9.612 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.968 0.098 10.516 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.220 2.792 9.812 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.506 2.398 11.363 1.00 0.00 H new ATOM 0 HE ARG A 59 8.281 0.565 11.525 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.863 3.472 9.537 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.617 3.376 9.724 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.523 0.492 11.778 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.551 1.694 10.989 1.00 0.00 H new ATOM 866 N ASN A 60 5.795 -2.903 7.401 1.00 0.00 N ATOM 867 CA ASN A 60 5.618 -4.269 7.724 1.00 0.00 C ATOM 868 C ASN A 60 6.966 -4.875 7.766 1.00 0.00 C ATOM 869 O ASN A 60 7.701 -4.858 6.776 1.00 0.00 O ATOM 870 CB ASN A 60 4.807 -5.006 6.649 1.00 0.00 C ATOM 871 CG ASN A 60 3.411 -4.466 6.403 1.00 0.00 C ATOM 872 OD1 ASN A 60 3.215 -3.567 5.583 1.00 0.00 O ATOM 873 ND2 ASN A 60 2.419 -5.029 7.050 1.00 0.00 N ATOM 0 H ASN A 60 5.977 -2.744 6.410 1.00 0.00 H new ATOM 0 HA ASN A 60 5.083 -4.348 8.671 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.362 -4.971 5.712 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.727 -6.055 6.934 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.461 -4.725 6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.606 -5.771 7.724 1.00 0.00 H new ATOM 880 N HIS A 61 7.291 -5.350 8.885 1.00 0.00 N ATOM 881 CA HIS A 61 8.564 -6.005 9.133 1.00 0.00 C ATOM 882 C HIS A 61 8.424 -7.484 8.791 1.00 0.00 C ATOM 883 O HIS A 61 9.397 -8.160 8.434 1.00 0.00 O ATOM 884 CB HIS A 61 8.953 -5.863 10.617 1.00 0.00 C ATOM 885 CG HIS A 61 8.856 -4.460 11.166 1.00 0.00 C ATOM 886 ND1 HIS A 61 9.879 -3.539 11.169 1.00 0.00 N ATOM 887 CD2 HIS A 61 7.804 -3.835 11.747 1.00 0.00 C ATOM 888 CE1 HIS A 61 9.429 -2.427 11.731 1.00 0.00 C ATOM 889 NE2 HIS A 61 8.173 -2.548 12.102 1.00 0.00 N ATOM 0 H HIS A 61 6.685 -5.311 9.704 1.00 0.00 H new ATOM 0 HA HIS A 61 9.337 -5.543 8.519 1.00 0.00 H new ATOM 0 HB2 HIS A 61 8.312 -6.515 11.210 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.975 -6.218 10.746 1.00 0.00 H new ATOM 0 HD1 HIS A 61 10.819 -3.687 10.803 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.830 -4.272 11.908 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.020 -1.533 11.867 1.00 0.00 H new ATOM 897 N ASP A 62 7.204 -7.977 8.928 1.00 0.00 N ATOM 898 CA ASP A 62 6.871 -9.364 8.636 1.00 0.00 C ATOM 899 C ASP A 62 6.283 -9.501 7.258 1.00 0.00 C ATOM 900 O ASP A 62 5.260 -8.889 6.930 1.00 0.00 O ATOM 901 CB ASP A 62 5.896 -9.923 9.660 1.00 0.00 C ATOM 902 CG ASP A 62 5.575 -11.373 9.412 1.00 0.00 C ATOM 903 OD1 ASP A 62 6.336 -12.252 9.849 1.00 0.00 O ATOM 904 OD2 ASP A 62 4.557 -11.653 8.816 1.00 0.00 O ATOM 0 H ASP A 62 6.410 -7.422 9.247 1.00 0.00 H new ATOM 0 HA ASP A 62 7.799 -9.934 8.684 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.319 -9.812 10.659 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.975 -9.340 9.637 1.00 0.00 H new ATOM 909 N ILE A 63 6.923 -10.318 6.468 1.00 0.00 N ATOM 910 CA ILE A 63 6.510 -10.582 5.106 1.00 0.00 C ATOM 911 C ILE A 63 5.156 -11.258 5.033 1.00 0.00 C ATOM 912 O ILE A 63 4.334 -10.921 4.179 1.00 0.00 O ATOM 913 CB ILE A 63 7.591 -11.385 4.330 1.00 0.00 C ATOM 914 CG1 ILE A 63 7.104 -11.751 2.936 1.00 0.00 C ATOM 915 CG2 ILE A 63 8.006 -12.636 5.095 1.00 0.00 C ATOM 916 CD1 ILE A 63 8.211 -12.136 1.995 1.00 0.00 C ATOM 0 H ILE A 63 7.759 -10.830 6.751 1.00 0.00 H new ATOM 0 HA ILE A 63 6.402 -9.613 4.618 1.00 0.00 H new ATOM 0 HB ILE A 63 8.466 -10.743 4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.399 -12.578 3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.559 -10.905 2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.763 -13.176 4.526 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.415 -12.351 6.064 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.137 -13.277 5.242 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.790 -12.384 1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.905 -11.302 1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.742 -13.001 2.392 1.00 0.00 H new ATOM 928 N ALA A 64 4.873 -12.110 5.980 1.00 0.00 N ATOM 929 CA ALA A 64 3.649 -12.877 5.949 1.00 0.00 C ATOM 930 C ALA A 64 2.458 -11.992 6.280 1.00 0.00 C ATOM 931 O ALA A 64 1.321 -12.309 5.943 1.00 0.00 O ATOM 932 CB ALA A 64 3.732 -14.065 6.889 1.00 0.00 C ATOM 0 H ALA A 64 5.471 -12.294 6.785 1.00 0.00 H new ATOM 0 HA ALA A 64 3.510 -13.265 4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.799 -14.627 6.848 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.558 -14.710 6.588 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.899 -13.713 7.907 1.00 0.00 H new ATOM 938 N ASP A 65 2.739 -10.847 6.870 1.00 0.00 N ATOM 939 CA ASP A 65 1.701 -9.909 7.265 1.00 0.00 C ATOM 940 C ASP A 65 1.307 -9.083 6.067 1.00 0.00 C ATOM 941 O ASP A 65 0.145 -8.654 5.931 1.00 0.00 O ATOM 942 CB ASP A 65 2.167 -9.012 8.421 1.00 0.00 C ATOM 943 CG ASP A 65 1.091 -8.054 8.893 1.00 0.00 C ATOM 944 OD1 ASP A 65 0.076 -8.511 9.481 1.00 0.00 O ATOM 945 OD2 ASP A 65 1.235 -6.844 8.715 1.00 0.00 O ATOM 0 H ASP A 65 3.687 -10.540 7.089 1.00 0.00 H new ATOM 0 HA ASP A 65 0.836 -10.466 7.624 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.481 -9.638 9.256 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.040 -8.442 8.103 1.00 0.00 H new ATOM 950 N VAL A 66 2.273 -8.896 5.178 1.00 0.00 N ATOM 951 CA VAL A 66 2.057 -8.212 3.921 1.00 0.00 C ATOM 952 C VAL A 66 1.256 -9.126 3.030 1.00 0.00 C ATOM 953 O VAL A 66 0.236 -8.725 2.463 1.00 0.00 O ATOM 954 CB VAL A 66 3.387 -7.893 3.186 1.00 0.00 C ATOM 955 CG1 VAL A 66 3.130 -7.079 1.926 1.00 0.00 C ATOM 956 CG2 VAL A 66 4.361 -7.181 4.090 1.00 0.00 C ATOM 0 H VAL A 66 3.231 -9.218 5.314 1.00 0.00 H new ATOM 0 HA VAL A 66 1.547 -7.272 4.132 1.00 0.00 H new ATOM 0 HB VAL A 66 3.836 -8.843 2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.077 -6.869 1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.485 -7.644 1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.643 -6.141 2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.280 -6.973 3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.922 -6.243 4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.586 -7.811 4.951 1.00 0.00 H new ATOM 966 N VAL A 67 1.703 -10.390 2.963 1.00 0.00 N ATOM 967 CA VAL A 67 1.067 -11.403 2.105 1.00 0.00 C ATOM 968 C VAL A 67 -0.380 -11.598 2.522 1.00 0.00 C ATOM 969 O VAL A 67 -1.266 -11.755 1.685 1.00 0.00 O ATOM 970 CB VAL A 67 1.816 -12.764 2.154 1.00 0.00 C ATOM 971 CG1 VAL A 67 1.168 -13.777 1.222 1.00 0.00 C ATOM 972 CG2 VAL A 67 3.274 -12.589 1.788 1.00 0.00 C ATOM 0 H VAL A 67 2.503 -10.735 3.493 1.00 0.00 H new ATOM 0 HA VAL A 67 1.112 -11.038 1.079 1.00 0.00 H new ATOM 0 HB VAL A 67 1.752 -13.139 3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.711 -14.720 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.132 -13.937 1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.195 -13.400 0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.778 -13.555 1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.350 -12.183 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.746 -11.903 2.492 1.00 0.00 H new ATOM 982 N ASP A 68 -0.593 -11.534 3.824 1.00 0.00 N ATOM 983 CA ASP A 68 -1.908 -11.630 4.438 1.00 0.00 C ATOM 984 C ASP A 68 -2.858 -10.630 3.814 1.00 0.00 C ATOM 985 O ASP A 68 -3.805 -11.008 3.144 1.00 0.00 O ATOM 986 CB ASP A 68 -1.778 -11.374 5.948 1.00 0.00 C ATOM 987 CG ASP A 68 -3.096 -11.249 6.685 1.00 0.00 C ATOM 988 OD1 ASP A 68 -3.738 -12.274 6.964 1.00 0.00 O ATOM 989 OD2 ASP A 68 -3.473 -10.123 7.052 1.00 0.00 O ATOM 0 H ASP A 68 0.160 -11.411 4.501 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.312 -12.629 4.272 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.205 -12.187 6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.204 -10.460 6.100 1.00 0.00 H new ATOM 994 N LYS A 69 -2.533 -9.365 3.937 1.00 0.00 N ATOM 995 CA LYS A 69 -3.413 -8.295 3.459 1.00 0.00 C ATOM 996 C LYS A 69 -3.531 -8.360 1.940 1.00 0.00 C ATOM 997 O LYS A 69 -4.631 -8.206 1.382 1.00 0.00 O ATOM 998 CB LYS A 69 -2.842 -6.922 3.827 1.00 0.00 C ATOM 999 CG LYS A 69 -2.406 -6.761 5.266 1.00 0.00 C ATOM 1000 CD LYS A 69 -3.540 -6.931 6.245 1.00 0.00 C ATOM 1001 CE LYS A 69 -3.007 -6.917 7.661 1.00 0.00 C ATOM 1002 NZ LYS A 69 -2.051 -8.024 7.884 1.00 0.00 N ATOM 0 H LYS A 69 -1.666 -9.039 4.363 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.388 -8.430 3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.987 -6.719 3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.594 -6.165 3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.628 -7.491 5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.964 -5.774 5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.268 -6.130 6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.060 -7.869 6.053 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.516 -5.964 7.858 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.835 -7.001 8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.715 -8.000 8.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.523 -8.933 7.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.242 -7.919 7.239 1.00 0.00 H new ATOM 1016 N ALA A 70 -2.390 -8.601 1.296 1.00 0.00 N ATOM 1017 CA ALA A 70 -2.284 -8.658 -0.151 1.00 0.00 C ATOM 1018 C ALA A 70 -3.203 -9.700 -0.734 1.00 0.00 C ATOM 1019 O ALA A 70 -3.805 -9.476 -1.769 1.00 0.00 O ATOM 1020 CB ALA A 70 -0.850 -8.940 -0.565 1.00 0.00 C ATOM 0 H ALA A 70 -1.505 -8.764 1.776 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.587 -7.687 -0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.786 -8.980 -1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.201 -8.147 -0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.532 -9.895 -0.148 1.00 0.00 H new ATOM 1026 N LYS A 71 -3.319 -10.824 -0.062 1.00 0.00 N ATOM 1027 CA LYS A 71 -4.167 -11.889 -0.529 1.00 0.00 C ATOM 1028 C LYS A 71 -5.620 -11.668 -0.119 1.00 0.00 C ATOM 1029 O LYS A 71 -6.510 -11.660 -0.978 1.00 0.00 O ATOM 1030 CB LYS A 71 -3.666 -13.242 -0.028 1.00 0.00 C ATOM 1031 CG LYS A 71 -4.527 -14.416 -0.477 1.00 0.00 C ATOM 1032 CD LYS A 71 -3.986 -15.754 0.019 1.00 0.00 C ATOM 1033 CE LYS A 71 -2.615 -16.083 -0.566 1.00 0.00 C ATOM 1034 NZ LYS A 71 -2.633 -16.160 -2.046 1.00 0.00 N ATOM 0 H LYS A 71 -2.833 -11.021 0.813 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.126 -11.888 -1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.646 -13.395 -0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.629 -13.225 1.061 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.544 -14.279 -0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.580 -14.429 -1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.918 -15.734 1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.688 -16.546 -0.242 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.898 -15.323 -0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.269 -17.034 -0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.730 -16.549 -2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.412 -16.777 -2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.770 -15.208 -2.442 1.00 0.00 H new ATOM 1048 N VAL A 72 -5.853 -11.449 1.183 1.00 0.00 N ATOM 1049 CA VAL A 72 -7.217 -11.318 1.728 1.00 0.00 C ATOM 1050 C VAL A 72 -8.009 -10.230 1.004 1.00 0.00 C ATOM 1051 O VAL A 72 -9.081 -10.485 0.458 1.00 0.00 O ATOM 1052 CB VAL A 72 -7.221 -11.012 3.249 1.00 0.00 C ATOM 1053 CG1 VAL A 72 -8.632 -10.942 3.791 1.00 0.00 C ATOM 1054 CG2 VAL A 72 -6.428 -12.030 4.021 1.00 0.00 C ATOM 0 H VAL A 72 -5.115 -11.358 1.881 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.693 -12.285 1.567 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.748 -10.038 3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.601 -10.726 4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.180 -10.153 3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.132 -11.897 3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.454 -11.783 5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.859 -13.019 3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.395 -12.027 3.673 1.00 0.00 H new ATOM 1064 N LEU A 73 -7.472 -9.031 0.986 1.00 0.00 N ATOM 1065 CA LEU A 73 -8.126 -7.936 0.331 1.00 0.00 C ATOM 1066 C LEU A 73 -7.899 -7.982 -1.177 1.00 0.00 C ATOM 1067 O LEU A 73 -8.713 -7.460 -1.939 1.00 0.00 O ATOM 1068 CB LEU A 73 -7.615 -6.617 0.905 1.00 0.00 C ATOM 1069 CG LEU A 73 -8.247 -5.349 0.361 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -9.756 -5.403 0.528 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -7.674 -4.149 1.082 1.00 0.00 C ATOM 0 H LEU A 73 -6.580 -8.795 1.421 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.198 -8.016 0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.763 -6.635 1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.540 -6.564 0.731 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.024 -5.261 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.199 -4.488 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.152 -6.261 -0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.002 -5.499 1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.128 -3.239 0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.885 -4.230 2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.596 -4.112 0.927 1.00 0.00 H new ATOM 1083 N SER A 74 -6.841 -8.672 -1.582 1.00 0.00 N ATOM 1084 CA SER A 74 -6.401 -8.714 -2.961 1.00 0.00 C ATOM 1085 C SER A 74 -5.982 -7.319 -3.428 1.00 0.00 C ATOM 1086 O SER A 74 -6.759 -6.562 -4.030 1.00 0.00 O ATOM 1087 CB SER A 74 -7.428 -9.375 -3.887 1.00 0.00 C ATOM 1088 OG SER A 74 -7.713 -10.714 -3.445 1.00 0.00 O ATOM 0 H SER A 74 -6.260 -9.224 -0.950 1.00 0.00 H new ATOM 0 HA SER A 74 -5.521 -9.355 -3.015 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.346 -8.787 -3.901 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.046 -9.396 -4.908 1.00 0.00 H new ATOM 0 HG SER A 74 -7.189 -10.911 -2.640 1.00 0.00 H new ATOM 1094 N LEU A 75 -4.780 -6.956 -3.035 1.00 0.00 N ATOM 1095 CA LEU A 75 -4.195 -5.685 -3.359 1.00 0.00 C ATOM 1096 C LEU A 75 -3.653 -5.682 -4.769 1.00 0.00 C ATOM 1097 O LEU A 75 -3.742 -6.673 -5.495 1.00 0.00 O ATOM 1098 CB LEU A 75 -3.055 -5.380 -2.389 1.00 0.00 C ATOM 1099 CG LEU A 75 -3.426 -5.297 -0.921 1.00 0.00 C ATOM 1100 CD1 LEU A 75 -2.190 -5.074 -0.081 1.00 0.00 C ATOM 1101 CD2 LEU A 75 -4.428 -4.192 -0.704 1.00 0.00 C ATOM 0 H LEU A 75 -4.175 -7.552 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.972 -4.924 -3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.291 -6.149 -2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.601 -4.433 -2.681 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.880 -6.239 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.470 -5.016 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.497 -5.902 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.710 -4.142 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.689 -4.140 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.996 -3.242 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.325 -4.394 -1.289 1.00 0.00 H new ATOM 1113 N ALA A 76 -3.090 -4.579 -5.136 1.00 0.00 N ATOM 1114 CA ALA A 76 -2.495 -4.421 -6.421 1.00 0.00 C ATOM 1115 C ALA A 76 -1.084 -3.993 -6.215 1.00 0.00 C ATOM 1116 O ALA A 76 -0.209 -4.401 -6.921 1.00 0.00 O ATOM 1117 CB ALA A 76 -3.254 -3.421 -7.257 1.00 0.00 C ATOM 0 H ALA A 76 -3.030 -3.751 -4.544 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.525 -5.364 -6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.775 -3.323 -8.231 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.281 -3.763 -7.390 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.256 -2.454 -6.755 1.00 0.00 H new ATOM 1123 N ALA A 77 -0.874 -3.131 -5.240 1.00 0.00 N ATOM 1124 CA ALA A 77 0.444 -2.772 -4.829 1.00 0.00 C ATOM 1125 C ALA A 77 0.484 -2.549 -3.336 1.00 0.00 C ATOM 1126 O ALA A 77 -0.556 -2.350 -2.699 1.00 0.00 O ATOM 1127 CB ALA A 77 0.901 -1.542 -5.545 1.00 0.00 C ATOM 0 H ALA A 77 -1.619 -2.668 -4.719 1.00 0.00 H new ATOM 0 HA ALA A 77 1.118 -3.591 -5.081 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.908 -1.284 -5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.904 -1.726 -6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.224 -0.718 -5.320 1.00 0.00 H new ATOM 1133 N VAL A 78 1.658 -2.604 -2.789 1.00 0.00 N ATOM 1134 CA VAL A 78 1.879 -2.348 -1.376 1.00 0.00 C ATOM 1135 C VAL A 78 3.178 -1.555 -1.205 1.00 0.00 C ATOM 1136 O VAL A 78 4.156 -1.791 -1.918 1.00 0.00 O ATOM 1137 CB VAL A 78 1.943 -3.665 -0.556 1.00 0.00 C ATOM 1138 CG1 VAL A 78 3.054 -4.568 -1.083 1.00 0.00 C ATOM 1139 CG2 VAL A 78 2.137 -3.382 0.935 1.00 0.00 C ATOM 0 H VAL A 78 2.508 -2.829 -3.306 1.00 0.00 H new ATOM 0 HA VAL A 78 1.037 -1.769 -0.996 1.00 0.00 H new ATOM 0 HB VAL A 78 0.990 -4.181 -0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.085 -5.487 -0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.861 -4.810 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.011 -4.053 -1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.178 -4.324 1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.068 -2.836 1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.303 -2.784 1.303 1.00 0.00 H new ATOM 1149 N GLN A 79 3.154 -0.560 -0.358 1.00 0.00 N ATOM 1150 CA GLN A 79 4.254 0.252 -0.104 1.00 0.00 C ATOM 1151 C GLN A 79 4.856 -0.130 1.168 1.00 0.00 C ATOM 1152 O GLN A 79 4.257 0.038 2.242 1.00 0.00 O ATOM 1153 CB GLN A 79 3.869 1.707 -0.070 1.00 0.00 C ATOM 1154 CG GLN A 79 3.732 2.356 -1.413 1.00 0.00 C ATOM 1155 CD GLN A 79 2.546 1.878 -2.192 1.00 0.00 C ATOM 1156 OE1 GLN A 79 1.491 2.462 -2.123 1.00 0.00 O ATOM 1157 NE2 GLN A 79 2.691 0.773 -2.892 1.00 0.00 N ATOM 0 H GLN A 79 2.325 -0.306 0.180 1.00 0.00 H new ATOM 0 HA GLN A 79 4.973 0.115 -0.912 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.923 1.805 0.463 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.617 2.252 0.506 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.658 3.435 -1.280 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.636 2.168 -1.992 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.598 0.307 -2.927 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.897 0.383 -3.399 1.00 0.00 H new ATOM 1166 N LEU A 80 5.997 -0.662 1.067 1.00 0.00 N ATOM 1167 CA LEU A 80 6.707 -1.078 2.211 1.00 0.00 C ATOM 1168 C LEU A 80 7.799 -0.106 2.556 1.00 0.00 C ATOM 1169 O LEU A 80 8.285 0.659 1.698 1.00 0.00 O ATOM 1170 CB LEU A 80 7.230 -2.524 2.049 1.00 0.00 C ATOM 1171 CG LEU A 80 7.975 -2.885 0.739 1.00 0.00 C ATOM 1172 CD1 LEU A 80 9.319 -2.184 0.599 1.00 0.00 C ATOM 1173 CD2 LEU A 80 8.146 -4.377 0.635 1.00 0.00 C ATOM 0 H LEU A 80 6.478 -0.827 0.183 1.00 0.00 H new ATOM 0 HA LEU A 80 6.017 -1.087 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.901 -2.732 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.380 -3.200 2.147 1.00 0.00 H new ATOM 0 HG LEU A 80 7.355 -2.527 -0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.788 -2.480 -0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.169 -1.104 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.964 -2.465 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.671 -4.620 -0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.724 -4.737 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.167 -4.856 0.633 1.00 0.00 H new ATOM 1185 N HIS A 81 8.145 -0.098 3.794 1.00 0.00 N ATOM 1186 CA HIS A 81 9.257 0.653 4.257 1.00 0.00 C ATOM 1187 C HIS A 81 10.430 -0.282 4.242 1.00 0.00 C ATOM 1188 O HIS A 81 10.617 -1.087 5.143 1.00 0.00 O ATOM 1189 CB HIS A 81 8.990 1.247 5.640 1.00 0.00 C ATOM 1190 CG HIS A 81 7.940 2.328 5.628 1.00 0.00 C ATOM 1191 ND1 HIS A 81 6.574 2.099 5.607 1.00 0.00 N ATOM 1192 CD2 HIS A 81 8.085 3.669 5.635 1.00 0.00 C ATOM 1193 CE1 HIS A 81 5.958 3.282 5.605 1.00 0.00 C ATOM 1194 NE2 HIS A 81 6.829 4.270 5.623 1.00 0.00 N ATOM 0 H HIS A 81 7.658 -0.619 4.523 1.00 0.00 H new ATOM 0 HA HIS A 81 9.455 1.513 3.617 1.00 0.00 H new ATOM 0 HB2 HIS A 81 8.676 0.452 6.316 1.00 0.00 H new ATOM 0 HB3 HIS A 81 9.919 1.656 6.039 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.028 4.195 5.648 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.886 3.413 5.591 1.00 0.00 H new ATOM 0 HE2 HIS A 81 6.625 5.269 5.627 1.00 0.00 H new ATOM 1202 N GLY A 82 11.171 -0.195 3.170 1.00 0.00 N ATOM 1203 CA GLY A 82 12.228 -1.129 2.867 1.00 0.00 C ATOM 1204 C GLY A 82 13.454 -0.993 3.722 1.00 0.00 C ATOM 1205 O GLY A 82 14.311 -1.869 3.704 1.00 0.00 O ATOM 0 H GLY A 82 11.057 0.538 2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.840 -2.142 2.972 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.515 -1.005 1.823 1.00 0.00 H new ATOM 1209 N ASN A 83 13.530 0.103 4.464 1.00 0.00 N ATOM 1210 CA ASN A 83 14.690 0.465 5.315 1.00 0.00 C ATOM 1211 C ASN A 83 15.133 -0.716 6.227 1.00 0.00 C ATOM 1212 O ASN A 83 16.297 -0.806 6.614 1.00 0.00 O ATOM 1213 CB ASN A 83 14.345 1.714 6.156 1.00 0.00 C ATOM 1214 CG ASN A 83 15.564 2.465 6.718 1.00 0.00 C ATOM 1215 OD1 ASN A 83 16.614 1.900 6.989 1.00 0.00 O ATOM 1216 ND2 ASN A 83 15.430 3.762 6.864 1.00 0.00 N ATOM 0 H ASN A 83 12.778 0.791 4.502 1.00 0.00 H new ATOM 0 HA ASN A 83 15.534 0.692 4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.764 2.401 5.541 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.707 1.412 6.986 1.00 0.00 H new ATOM 0 HD21 ASN A 83 16.211 4.320 7.210 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.545 4.213 6.632 1.00 0.00 H new ATOM 1223 N GLU A 84 14.195 -1.613 6.536 1.00 0.00 N ATOM 1224 CA GLU A 84 14.447 -2.796 7.364 1.00 0.00 C ATOM 1225 C GLU A 84 15.646 -3.628 6.855 1.00 0.00 C ATOM 1226 O GLU A 84 16.510 -4.031 7.652 1.00 0.00 O ATOM 1227 CB GLU A 84 13.192 -3.674 7.442 1.00 0.00 C ATOM 1228 CG GLU A 84 11.950 -2.933 7.919 1.00 0.00 C ATOM 1229 CD GLU A 84 12.192 -2.169 9.197 1.00 0.00 C ATOM 1230 OE1 GLU A 84 12.344 -2.797 10.269 1.00 0.00 O ATOM 1231 OE2 GLU A 84 12.272 -0.939 9.156 1.00 0.00 O ATOM 0 H GLU A 84 13.229 -1.539 6.216 1.00 0.00 H new ATOM 0 HA GLU A 84 14.701 -2.437 8.361 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.995 -4.097 6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.386 -4.509 8.115 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.622 -2.242 7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.141 -3.647 8.073 1.00 0.00 H new ATOM 1238 N GLU A 85 15.696 -3.861 5.546 1.00 0.00 N ATOM 1239 CA GLU A 85 16.767 -4.609 4.896 1.00 0.00 C ATOM 1240 C GLU A 85 16.498 -4.544 3.402 1.00 0.00 C ATOM 1241 O GLU A 85 15.353 -4.541 3.001 1.00 0.00 O ATOM 1242 CB GLU A 85 16.768 -6.065 5.378 1.00 0.00 C ATOM 1243 CG GLU A 85 18.157 -6.683 5.491 1.00 0.00 C ATOM 1244 CD GLU A 85 18.840 -6.972 4.175 1.00 0.00 C ATOM 1245 OE1 GLU A 85 19.442 -6.061 3.577 1.00 0.00 O ATOM 1246 OE2 GLU A 85 18.794 -8.116 3.726 1.00 0.00 O ATOM 0 H GLU A 85 14.982 -3.530 4.897 1.00 0.00 H new ATOM 0 HA GLU A 85 17.743 -4.187 5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.280 -6.114 6.351 1.00 0.00 H new ATOM 0 HB3 GLU A 85 16.170 -6.664 4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.790 -6.012 6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 85 18.079 -7.613 6.054 1.00 0.00 H new ATOM 1253 N GLN A 86 17.530 -4.564 2.596 1.00 0.00 N ATOM 1254 CA GLN A 86 17.434 -4.351 1.180 1.00 0.00 C ATOM 1255 C GLN A 86 16.920 -5.596 0.493 1.00 0.00 C ATOM 1256 O GLN A 86 16.011 -5.559 -0.341 1.00 0.00 O ATOM 1257 CB GLN A 86 18.818 -4.002 0.681 1.00 0.00 C ATOM 1258 CG GLN A 86 19.367 -2.693 1.250 1.00 0.00 C ATOM 1259 CD GLN A 86 20.808 -2.412 0.866 1.00 0.00 C ATOM 1260 OE1 GLN A 86 21.208 -1.251 0.721 1.00 0.00 O ATOM 1261 NE2 GLN A 86 21.607 -3.438 0.745 1.00 0.00 N ATOM 0 H GLN A 86 18.483 -4.733 2.918 1.00 0.00 H new ATOM 0 HA GLN A 86 16.735 -3.544 0.960 1.00 0.00 H new ATOM 0 HB2 GLN A 86 19.501 -4.813 0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 86 18.795 -3.933 -0.407 1.00 0.00 H new ATOM 0 HG2 GLN A 86 18.742 -1.869 0.906 1.00 0.00 H new ATOM 0 HG3 GLN A 86 19.290 -2.720 2.337 1.00 0.00 H new ATOM 0 HE21 GLN A 86 21.246 -4.383 0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 86 22.592 -3.294 0.525 1.00 0.00 H new ATOM 1270 N LEU A 87 17.456 -6.693 0.914 1.00 0.00 N ATOM 1271 CA LEU A 87 17.155 -7.995 0.364 1.00 0.00 C ATOM 1272 C LEU A 87 15.807 -8.482 0.854 1.00 0.00 C ATOM 1273 O LEU A 87 15.242 -9.445 0.331 1.00 0.00 O ATOM 1274 CB LEU A 87 18.262 -8.946 0.722 1.00 0.00 C ATOM 1275 CG LEU A 87 19.625 -8.512 0.204 1.00 0.00 C ATOM 1276 CD1 LEU A 87 20.725 -9.273 0.885 1.00 0.00 C ATOM 1277 CD2 LEU A 87 19.710 -8.679 -1.304 1.00 0.00 C ATOM 0 H LEU A 87 18.137 -6.721 1.673 1.00 0.00 H new ATOM 0 HA LEU A 87 17.092 -7.933 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.309 -9.045 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 87 18.027 -9.932 0.322 1.00 0.00 H new ATOM 0 HG LEU A 87 19.751 -7.454 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 87 21.689 -8.944 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.684 -9.089 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.602 -10.339 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 87 20.694 -8.362 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 87 19.554 -9.726 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 87 18.943 -8.069 -1.781 1.00 0.00 H new ATOM 1289 N TYR A 88 15.299 -7.812 1.868 1.00 0.00 N ATOM 1290 CA TYR A 88 13.980 -8.078 2.377 1.00 0.00 C ATOM 1291 C TYR A 88 12.952 -7.787 1.293 1.00 0.00 C ATOM 1292 O TYR A 88 12.043 -8.562 1.074 1.00 0.00 O ATOM 1293 CB TYR A 88 13.707 -7.255 3.638 1.00 0.00 C ATOM 1294 CG TYR A 88 12.275 -7.293 4.116 1.00 0.00 C ATOM 1295 CD1 TYR A 88 11.613 -8.498 4.296 1.00 0.00 C ATOM 1296 CD2 TYR A 88 11.587 -6.118 4.377 1.00 0.00 C ATOM 1297 CE1 TYR A 88 10.307 -8.540 4.722 1.00 0.00 C ATOM 1298 CE2 TYR A 88 10.272 -6.146 4.814 1.00 0.00 C ATOM 1299 CZ TYR A 88 9.637 -7.364 4.985 1.00 0.00 C ATOM 1300 OH TYR A 88 8.328 -7.404 5.412 1.00 0.00 O ATOM 0 H TYR A 88 15.794 -7.068 2.359 1.00 0.00 H new ATOM 0 HA TYR A 88 13.907 -9.129 2.655 1.00 0.00 H new ATOM 0 HB2 TYR A 88 14.353 -7.616 4.438 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.985 -6.219 3.447 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.134 -9.423 4.097 1.00 0.00 H new ATOM 0 HD2 TYR A 88 12.082 -5.168 4.238 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.808 -9.489 4.850 1.00 0.00 H new ATOM 0 HE2 TYR A 88 9.747 -5.225 5.019 1.00 0.00 H new ATOM 0 HH TYR A 88 8.107 -6.565 5.868 1.00 0.00 H new ATOM 1310 N ILE A 89 13.156 -6.709 0.568 1.00 0.00 N ATOM 1311 CA ILE A 89 12.259 -6.319 -0.523 1.00 0.00 C ATOM 1312 C ILE A 89 12.261 -7.417 -1.568 1.00 0.00 C ATOM 1313 O ILE A 89 11.208 -7.842 -2.069 1.00 0.00 O ATOM 1314 CB ILE A 89 12.679 -4.963 -1.194 1.00 0.00 C ATOM 1315 CG1 ILE A 89 12.467 -3.757 -0.270 1.00 0.00 C ATOM 1316 CG2 ILE A 89 11.917 -4.733 -2.482 1.00 0.00 C ATOM 1317 CD1 ILE A 89 13.390 -3.690 0.896 1.00 0.00 C ATOM 0 H ILE A 89 13.942 -6.074 0.709 1.00 0.00 H new ATOM 0 HA ILE A 89 11.264 -6.176 -0.103 1.00 0.00 H new ATOM 0 HB ILE A 89 13.745 -5.050 -1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.579 -2.845 -0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.441 -3.776 0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 89 12.228 -3.787 -2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 89 12.126 -5.545 -3.178 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.848 -4.701 -2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 89 13.163 -2.804 1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 89 13.264 -4.581 1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 89 14.420 -3.636 0.542 1.00 0.00 H new ATOM 1329 N ASP A 90 13.449 -7.929 -1.803 1.00 0.00 N ATOM 1330 CA ASP A 90 13.700 -9.008 -2.759 1.00 0.00 C ATOM 1331 C ASP A 90 13.006 -10.312 -2.310 1.00 0.00 C ATOM 1332 O ASP A 90 12.739 -11.213 -3.105 1.00 0.00 O ATOM 1333 CB ASP A 90 15.197 -9.227 -2.858 1.00 0.00 C ATOM 1334 CG ASP A 90 15.583 -10.123 -4.001 1.00 0.00 C ATOM 1335 OD1 ASP A 90 15.798 -9.604 -5.119 1.00 0.00 O ATOM 1336 OD2 ASP A 90 15.700 -11.350 -3.811 1.00 0.00 O ATOM 0 H ASP A 90 14.292 -7.606 -1.329 1.00 0.00 H new ATOM 0 HA ASP A 90 13.295 -8.729 -3.732 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.693 -8.263 -2.975 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.558 -9.660 -1.925 1.00 0.00 H new ATOM 1341 N THR A 91 12.681 -10.359 -1.054 1.00 0.00 N ATOM 1342 CA THR A 91 12.034 -11.480 -0.435 1.00 0.00 C ATOM 1343 C THR A 91 10.504 -11.406 -0.674 1.00 0.00 C ATOM 1344 O THR A 91 9.861 -12.418 -1.002 1.00 0.00 O ATOM 1345 CB THR A 91 12.364 -11.460 1.068 1.00 0.00 C ATOM 1346 OG1 THR A 91 13.787 -11.583 1.271 1.00 0.00 O ATOM 1347 CG2 THR A 91 11.643 -12.534 1.795 1.00 0.00 C ATOM 0 H THR A 91 12.865 -9.592 -0.408 1.00 0.00 H new ATOM 0 HA THR A 91 12.391 -12.414 -0.869 1.00 0.00 H new ATOM 0 HB THR A 91 12.031 -10.503 1.471 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.238 -10.791 0.912 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.899 -12.492 2.854 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.568 -12.396 1.675 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.932 -13.504 1.391 1.00 0.00 H new ATOM 1355 N LEU A 92 9.938 -10.196 -0.533 1.00 0.00 N ATOM 1356 CA LEU A 92 8.518 -9.938 -0.768 1.00 0.00 C ATOM 1357 C LEU A 92 8.096 -10.417 -2.129 1.00 0.00 C ATOM 1358 O LEU A 92 7.060 -11.032 -2.274 1.00 0.00 O ATOM 1359 CB LEU A 92 8.178 -8.445 -0.658 1.00 0.00 C ATOM 1360 CG LEU A 92 7.955 -7.843 0.723 1.00 0.00 C ATOM 1361 CD1 LEU A 92 6.911 -8.596 1.446 1.00 0.00 C ATOM 1362 CD2 LEU A 92 9.203 -7.819 1.521 1.00 0.00 C ATOM 0 H LEU A 92 10.461 -9.367 -0.251 1.00 0.00 H new ATOM 0 HA LEU A 92 7.979 -10.486 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.984 -7.887 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.277 -8.268 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 92 7.629 -6.813 0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.761 -8.155 2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.978 -8.555 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.222 -9.635 1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.001 -7.382 2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.574 -8.836 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.954 -7.221 1.005 1.00 0.00 H new ATOM 1374 N ARG A 93 8.940 -10.115 -3.110 1.00 0.00 N ATOM 1375 CA ARG A 93 8.773 -10.506 -4.541 1.00 0.00 C ATOM 1376 C ARG A 93 8.325 -11.948 -4.684 1.00 0.00 C ATOM 1377 O ARG A 93 7.536 -12.292 -5.542 1.00 0.00 O ATOM 1378 CB ARG A 93 10.120 -10.431 -5.287 1.00 0.00 C ATOM 1379 CG ARG A 93 10.969 -9.240 -4.951 1.00 0.00 C ATOM 1380 CD ARG A 93 10.197 -7.985 -5.077 1.00 0.00 C ATOM 1381 NE ARG A 93 9.799 -7.727 -6.472 1.00 0.00 N ATOM 1382 CZ ARG A 93 8.536 -7.641 -6.941 1.00 0.00 C ATOM 1383 NH1 ARG A 93 7.498 -7.819 -6.132 1.00 0.00 N ATOM 1384 NH2 ARG A 93 8.322 -7.383 -8.220 1.00 0.00 N ATOM 0 H ARG A 93 9.790 -9.576 -2.946 1.00 0.00 H new ATOM 0 HA ARG A 93 8.032 -9.819 -4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.688 -11.335 -5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.924 -10.427 -6.359 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.350 -9.336 -3.934 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.834 -9.207 -5.614 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.308 -8.040 -4.449 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.795 -7.151 -4.709 1.00 0.00 H new ATOM 0 HE ARG A 93 10.551 -7.601 -7.149 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.650 -8.023 -5.144 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.548 -7.751 -6.498 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.111 -7.249 -8.852 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.368 -7.318 -8.574 1.00 0.00 H new ATOM 1398 N GLU A 94 8.855 -12.763 -3.825 1.00 0.00 N ATOM 1399 CA GLU A 94 8.662 -14.194 -3.882 1.00 0.00 C ATOM 1400 C GLU A 94 7.326 -14.611 -3.300 1.00 0.00 C ATOM 1401 O GLU A 94 6.600 -15.419 -3.894 1.00 0.00 O ATOM 1402 CB GLU A 94 9.771 -14.868 -3.118 1.00 0.00 C ATOM 1403 CG GLU A 94 11.136 -14.445 -3.566 1.00 0.00 C ATOM 1404 CD GLU A 94 12.202 -15.142 -2.809 1.00 0.00 C ATOM 1405 OE1 GLU A 94 12.602 -16.242 -3.227 1.00 0.00 O ATOM 1406 OE2 GLU A 94 12.655 -14.614 -1.788 1.00 0.00 O ATOM 0 H GLU A 94 9.444 -12.457 -3.050 1.00 0.00 H new ATOM 0 HA GLU A 94 8.675 -14.495 -4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.659 -14.647 -2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.677 -15.948 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.250 -14.652 -4.630 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.244 -13.368 -3.438 1.00 0.00 H new ATOM 1413 N ALA A 95 7.000 -14.055 -2.155 1.00 0.00 N ATOM 1414 CA ALA A 95 5.789 -14.439 -1.432 1.00 0.00 C ATOM 1415 C ALA A 95 4.551 -13.761 -1.980 1.00 0.00 C ATOM 1416 O ALA A 95 3.419 -14.194 -1.746 1.00 0.00 O ATOM 1417 CB ALA A 95 5.947 -14.184 0.046 1.00 0.00 C ATOM 0 H ALA A 95 7.553 -13.332 -1.696 1.00 0.00 H new ATOM 0 HA ALA A 95 5.648 -15.509 -1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.034 -14.477 0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.785 -14.767 0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.136 -13.124 0.214 1.00 0.00 H new ATOM 1423 N LEU A 96 4.780 -12.725 -2.698 1.00 0.00 N ATOM 1424 CA LEU A 96 3.726 -11.971 -3.324 1.00 0.00 C ATOM 1425 C LEU A 96 3.620 -12.367 -4.781 1.00 0.00 C ATOM 1426 O LEU A 96 4.643 -12.502 -5.469 1.00 0.00 O ATOM 1427 CB LEU A 96 3.984 -10.459 -3.211 1.00 0.00 C ATOM 1428 CG LEU A 96 4.035 -9.873 -1.790 1.00 0.00 C ATOM 1429 CD1 LEU A 96 4.347 -8.389 -1.842 1.00 0.00 C ATOM 1430 CD2 LEU A 96 2.722 -10.109 -1.061 1.00 0.00 C ATOM 0 H LEU A 96 5.715 -12.360 -2.878 1.00 0.00 H new ATOM 0 HA LEU A 96 2.790 -12.194 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.930 -10.237 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.204 -9.938 -3.767 1.00 0.00 H new ATOM 0 HG LEU A 96 4.828 -10.380 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.380 -7.988 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.313 -8.237 -2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.573 -7.874 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.782 -9.686 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.910 -9.630 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.531 -11.180 -0.992 1.00 0.00 H new ATOM 1442 N PRO A 97 2.402 -12.591 -5.274 1.00 0.00 N ATOM 1443 CA PRO A 97 2.175 -12.914 -6.676 1.00 0.00 C ATOM 1444 C PRO A 97 2.446 -11.685 -7.536 1.00 0.00 C ATOM 1445 O PRO A 97 2.466 -10.565 -7.026 1.00 0.00 O ATOM 1446 CB PRO A 97 0.688 -13.284 -6.729 1.00 0.00 C ATOM 1447 CG PRO A 97 0.083 -12.569 -5.579 1.00 0.00 C ATOM 1448 CD PRO A 97 1.139 -12.532 -4.510 1.00 0.00 C ATOM 0 HA PRO A 97 2.820 -13.712 -7.045 1.00 0.00 H new ATOM 0 HB2 PRO A 97 0.236 -12.974 -7.671 1.00 0.00 H new ATOM 0 HB3 PRO A 97 0.544 -14.361 -6.646 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.220 -11.561 -5.862 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.811 -13.084 -5.226 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.073 -11.623 -3.912 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.045 -13.373 -3.823 1.00 0.00 H new ATOM 1456 N ALA A 98 2.575 -11.878 -8.832 1.00 0.00 N ATOM 1457 CA ALA A 98 2.914 -10.786 -9.756 1.00 0.00 C ATOM 1458 C ALA A 98 1.771 -9.774 -9.862 1.00 0.00 C ATOM 1459 O ALA A 98 1.931 -8.680 -10.422 1.00 0.00 O ATOM 1460 CB ALA A 98 3.268 -11.338 -11.130 1.00 0.00 C ATOM 0 H ALA A 98 2.451 -12.784 -9.284 1.00 0.00 H new ATOM 0 HA ALA A 98 3.785 -10.267 -9.355 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.516 -10.515 -11.800 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.125 -12.006 -11.044 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.417 -11.889 -11.531 1.00 0.00 H new ATOM 1466 N HIS A 99 0.627 -10.157 -9.319 1.00 0.00 N ATOM 1467 CA HIS A 99 -0.564 -9.319 -9.287 1.00 0.00 C ATOM 1468 C HIS A 99 -0.387 -8.210 -8.267 1.00 0.00 C ATOM 1469 O HIS A 99 -0.928 -7.119 -8.424 1.00 0.00 O ATOM 1470 CB HIS A 99 -1.800 -10.158 -8.909 1.00 0.00 C ATOM 1471 CG HIS A 99 -2.028 -11.324 -9.788 1.00 0.00 C ATOM 1472 ND1 HIS A 99 -2.385 -12.579 -9.347 1.00 0.00 N ATOM 1473 CD2 HIS A 99 -1.922 -11.408 -11.104 1.00 0.00 C ATOM 1474 CE1 HIS A 99 -2.471 -13.374 -10.409 1.00 0.00 C ATOM 1475 NE2 HIS A 99 -2.201 -12.704 -11.513 1.00 0.00 N ATOM 0 H HIS A 99 0.496 -11.069 -8.882 1.00 0.00 H new ATOM 0 HA HIS A 99 -0.710 -8.889 -10.278 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -1.689 -10.506 -7.882 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -2.682 -9.518 -8.935 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.658 -10.592 -11.760 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.726 -14.423 -10.373 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -2.198 -13.064 -12.468 1.00 0.00 H new ATOM 1483 N VAL A 100 0.393 -8.487 -7.238 1.00 0.00 N ATOM 1484 CA VAL A 100 0.650 -7.564 -6.223 1.00 0.00 C ATOM 1485 C VAL A 100 2.011 -6.959 -6.483 1.00 0.00 C ATOM 1486 O VAL A 100 2.993 -7.664 -6.696 1.00 0.00 O ATOM 1487 CB VAL A 100 0.634 -8.264 -4.858 1.00 0.00 C ATOM 1488 CG1 VAL A 100 0.966 -7.295 -3.773 1.00 0.00 C ATOM 1489 CG2 VAL A 100 -0.711 -8.928 -4.594 1.00 0.00 C ATOM 0 H VAL A 100 0.860 -9.385 -7.110 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.114 -6.787 -6.213 1.00 0.00 H new ATOM 0 HB VAL A 100 1.393 -9.046 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.951 -7.807 -2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.959 -6.880 -3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.232 -6.490 -3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.691 -9.416 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.498 -8.174 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.908 -9.671 -5.367 1.00 0.00 H new ATOM 1499 N ALA A 101 2.052 -5.689 -6.503 1.00 0.00 N ATOM 1500 CA ALA A 101 3.245 -4.967 -6.776 1.00 0.00 C ATOM 1501 C ALA A 101 3.770 -4.366 -5.500 1.00 0.00 C ATOM 1502 O ALA A 101 3.070 -4.317 -4.494 1.00 0.00 O ATOM 1503 CB ALA A 101 2.966 -3.893 -7.808 1.00 0.00 C ATOM 0 H ALA A 101 1.240 -5.097 -6.327 1.00 0.00 H new ATOM 0 HA ALA A 101 4.002 -5.640 -7.179 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.883 -3.341 -8.015 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.605 -4.356 -8.727 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.209 -3.209 -7.425 1.00 0.00 H new ATOM 1509 N ILE A 102 4.965 -3.898 -5.536 1.00 0.00 N ATOM 1510 CA ILE A 102 5.584 -3.319 -4.388 1.00 0.00 C ATOM 1511 C ILE A 102 6.046 -1.948 -4.753 1.00 0.00 C ATOM 1512 O ILE A 102 6.727 -1.791 -5.757 1.00 0.00 O ATOM 1513 CB ILE A 102 6.834 -4.099 -3.951 1.00 0.00 C ATOM 1514 CG1 ILE A 102 6.519 -5.556 -3.536 1.00 0.00 C ATOM 1515 CG2 ILE A 102 7.520 -3.324 -2.848 1.00 0.00 C ATOM 1516 CD1 ILE A 102 7.767 -6.390 -3.250 1.00 0.00 C ATOM 0 H ILE A 102 5.552 -3.904 -6.370 1.00 0.00 H new ATOM 0 HA ILE A 102 4.854 -3.325 -3.578 1.00 0.00 H new ATOM 0 HB ILE A 102 7.507 -4.193 -4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.888 -5.544 -2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.945 -6.035 -4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.411 -3.863 -2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.806 -2.340 -3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.838 -3.210 -2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 102 7.472 -7.400 -2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 102 8.389 -6.432 -4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.331 -5.934 -2.437 1.00 0.00 H new ATOM 1528 N TRP A 103 5.715 -0.963 -3.973 1.00 0.00 N ATOM 1529 CA TRP A 103 6.209 0.348 -4.267 1.00 0.00 C ATOM 1530 C TRP A 103 7.015 0.839 -3.094 1.00 0.00 C ATOM 1531 O TRP A 103 6.785 0.413 -1.955 1.00 0.00 O ATOM 1532 CB TRP A 103 5.100 1.348 -4.635 1.00 0.00 C ATOM 1533 CG TRP A 103 4.198 0.939 -5.782 1.00 0.00 C ATOM 1534 CD1 TRP A 103 4.430 0.006 -6.736 1.00 0.00 C ATOM 1535 CD2 TRP A 103 2.924 1.481 -6.070 1.00 0.00 C ATOM 1536 NE1 TRP A 103 3.377 -0.076 -7.592 1.00 0.00 N ATOM 1537 CE2 TRP A 103 2.432 0.830 -7.207 1.00 0.00 C ATOM 1538 CE3 TRP A 103 2.157 2.453 -5.467 1.00 0.00 C ATOM 1539 CZ2 TRP A 103 1.190 1.125 -7.747 1.00 0.00 C ATOM 1540 CZ3 TRP A 103 0.927 2.759 -6.000 1.00 0.00 C ATOM 1541 CH2 TRP A 103 0.454 2.092 -7.132 1.00 0.00 C ATOM 0 H TRP A 103 5.120 -1.037 -3.148 1.00 0.00 H new ATOM 0 HA TRP A 103 6.840 0.276 -5.153 1.00 0.00 H new ATOM 0 HB2 TRP A 103 4.482 1.517 -3.753 1.00 0.00 H new ATOM 0 HB3 TRP A 103 5.565 2.302 -4.885 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.328 -0.590 -6.807 1.00 0.00 H new ATOM 0 HE1 TRP A 103 3.305 -0.709 -8.389 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.516 2.968 -4.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 0.821 0.609 -8.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 0.320 3.524 -5.538 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -0.517 2.349 -7.529 1.00 0.00 H new ATOM 1552 N LYS A 104 7.951 1.698 -3.356 1.00 0.00 N ATOM 1553 CA LYS A 104 8.815 2.195 -2.340 1.00 0.00 C ATOM 1554 C LYS A 104 8.403 3.618 -2.040 1.00 0.00 C ATOM 1555 O LYS A 104 8.272 4.446 -2.957 1.00 0.00 O ATOM 1556 CB LYS A 104 10.298 2.116 -2.825 1.00 0.00 C ATOM 1557 CG LYS A 104 11.402 2.235 -1.735 1.00 0.00 C ATOM 1558 CD LYS A 104 11.505 3.625 -1.109 1.00 0.00 C ATOM 1559 CE LYS A 104 12.531 3.673 0.022 1.00 0.00 C ATOM 1560 NZ LYS A 104 12.574 5.000 0.683 1.00 0.00 N ATOM 0 H LYS A 104 8.135 2.074 -4.286 1.00 0.00 H new ATOM 0 HA LYS A 104 8.738 1.599 -1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.435 1.168 -3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.458 2.907 -3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.203 1.507 -0.949 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.364 1.973 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.779 4.348 -1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.529 3.922 -0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 104 12.291 2.908 0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 104 13.518 3.434 -0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.847 4.883 1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 13.270 5.605 0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.635 5.444 0.631 1.00 0.00 H new ATOM 1574 N ALA A 105 8.124 3.869 -0.790 1.00 0.00 N ATOM 1575 CA ALA A 105 7.834 5.208 -0.306 1.00 0.00 C ATOM 1576 C ALA A 105 9.123 6.028 -0.363 1.00 0.00 C ATOM 1577 O ALA A 105 10.002 5.893 0.488 1.00 0.00 O ATOM 1578 CB ALA A 105 7.281 5.147 1.113 1.00 0.00 C ATOM 0 H ALA A 105 8.089 3.151 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 105 7.077 5.682 -0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.068 6.157 1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.363 4.559 1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 105 8.016 4.682 1.770 1.00 0.00 H new ATOM 1584 N LEU A 106 9.258 6.793 -1.398 1.00 0.00 N ATOM 1585 CA LEU A 106 10.453 7.520 -1.681 1.00 0.00 C ATOM 1586 C LEU A 106 10.461 8.857 -0.970 1.00 0.00 C ATOM 1587 O LEU A 106 9.614 9.723 -1.220 1.00 0.00 O ATOM 1588 CB LEU A 106 10.618 7.644 -3.228 1.00 0.00 C ATOM 1589 CG LEU A 106 11.859 8.379 -3.804 1.00 0.00 C ATOM 1590 CD1 LEU A 106 12.103 7.915 -5.225 1.00 0.00 C ATOM 1591 CD2 LEU A 106 11.647 9.889 -3.835 1.00 0.00 C ATOM 0 H LEU A 106 8.520 6.933 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 106 11.318 6.980 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.615 6.635 -3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.731 8.148 -3.613 1.00 0.00 H new ATOM 0 HG LEU A 106 12.709 8.149 -3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.974 8.430 -5.631 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.281 6.840 -5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.230 8.141 -5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.534 10.373 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.786 10.123 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.469 10.252 -2.823 1.00 0.00 H new ATOM 1603 N SER A 107 11.372 8.984 -0.047 1.00 0.00 N ATOM 1604 CA SER A 107 11.617 10.222 0.612 1.00 0.00 C ATOM 1605 C SER A 107 12.328 11.088 -0.412 1.00 0.00 C ATOM 1606 O SER A 107 13.239 10.589 -1.089 1.00 0.00 O ATOM 1607 CB SER A 107 12.506 9.982 1.855 1.00 0.00 C ATOM 1608 OG SER A 107 12.691 11.169 2.622 1.00 0.00 O ATOM 0 H SER A 107 11.968 8.219 0.268 1.00 0.00 H new ATOM 0 HA SER A 107 10.702 10.699 0.963 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.052 9.214 2.481 1.00 0.00 H new ATOM 0 HB3 SER A 107 13.477 9.602 1.537 1.00 0.00 H new ATOM 0 HG SER A 107 11.828 11.465 2.980 1.00 0.00 H new ATOM 1614 N VAL A 108 11.871 12.341 -0.554 1.00 0.00 N ATOM 1615 CA VAL A 108 12.380 13.299 -1.547 1.00 0.00 C ATOM 1616 C VAL A 108 13.891 13.193 -1.778 1.00 0.00 C ATOM 1617 O VAL A 108 14.698 13.321 -0.843 1.00 0.00 O ATOM 1618 CB VAL A 108 11.974 14.764 -1.195 1.00 0.00 C ATOM 1619 CG1 VAL A 108 10.472 14.926 -1.311 1.00 0.00 C ATOM 1620 CG2 VAL A 108 12.418 15.145 0.220 1.00 0.00 C ATOM 0 H VAL A 108 11.125 12.723 0.027 1.00 0.00 H new ATOM 0 HA VAL A 108 11.903 13.025 -2.488 1.00 0.00 H new ATOM 0 HB VAL A 108 12.475 15.426 -1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 108 10.196 15.951 -1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 108 10.160 14.702 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 108 9.978 14.241 -0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.119 16.172 0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.950 14.475 0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.502 15.060 0.296 1.00 0.00 H new ATOM 1630 N GLY A 109 14.263 12.931 -3.018 1.00 0.00 N ATOM 1631 CA GLY A 109 15.647 12.739 -3.382 1.00 0.00 C ATOM 1632 C GLY A 109 16.397 14.032 -3.515 1.00 0.00 C ATOM 1633 O GLY A 109 16.845 14.405 -4.596 1.00 0.00 O ATOM 0 H GLY A 109 13.611 12.846 -3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 109 16.133 12.118 -2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 109 15.698 12.196 -4.326 1.00 0.00 H new ATOM 1637 N GLU A 110 16.511 14.709 -2.419 1.00 0.00 N ATOM 1638 CA GLU A 110 17.217 15.957 -2.334 1.00 0.00 C ATOM 1639 C GLU A 110 18.649 15.643 -1.945 1.00 0.00 C ATOM 1640 O GLU A 110 19.581 15.807 -2.736 1.00 0.00 O ATOM 1641 CB GLU A 110 16.561 16.836 -1.274 1.00 0.00 C ATOM 1642 CG GLU A 110 15.075 17.059 -1.493 1.00 0.00 C ATOM 1643 CD GLU A 110 14.765 17.929 -2.679 1.00 0.00 C ATOM 1644 OE1 GLU A 110 14.626 17.415 -3.803 1.00 0.00 O ATOM 1645 OE2 GLU A 110 14.619 19.158 -2.499 1.00 0.00 O ATOM 0 H GLU A 110 16.107 14.406 -1.533 1.00 0.00 H new ATOM 0 HA GLU A 110 17.193 16.489 -3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 110 16.710 16.380 -0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 110 17.065 17.803 -1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.587 16.093 -1.624 1.00 0.00 H new ATOM 0 HG3 GLU A 110 14.649 17.513 -0.599 1.00 0.00 H new ATOM 1652 N THR A 111 18.812 15.143 -0.739 1.00 0.00 N ATOM 1653 CA THR A 111 20.098 14.720 -0.257 1.00 0.00 C ATOM 1654 C THR A 111 20.167 13.193 -0.284 1.00 0.00 C ATOM 1655 O THR A 111 21.246 12.613 -0.382 1.00 0.00 O ATOM 1656 CB THR A 111 20.411 15.289 1.177 1.00 0.00 C ATOM 1657 OG1 THR A 111 21.716 14.889 1.626 1.00 0.00 O ATOM 1658 CG2 THR A 111 19.384 14.852 2.205 1.00 0.00 C ATOM 0 H THR A 111 18.053 15.021 -0.069 1.00 0.00 H new ATOM 0 HA THR A 111 20.866 15.125 -0.916 1.00 0.00 H new ATOM 0 HB THR A 111 20.373 16.374 1.085 1.00 0.00 H new ATOM 0 HG1 THR A 111 21.882 15.259 2.518 1.00 0.00 H new ATOM 0 HG21 THR A 111 19.643 15.269 3.178 1.00 0.00 H new ATOM 0 HG22 THR A 111 18.398 15.208 1.908 1.00 0.00 H new ATOM 0 HG23 THR A 111 19.373 13.764 2.268 1.00 0.00 H new ATOM 1666 N LEU A 112 19.006 12.559 -0.229 1.00 0.00 N ATOM 1667 CA LEU A 112 18.906 11.115 -0.279 1.00 0.00 C ATOM 1668 C LEU A 112 18.786 10.673 -1.731 1.00 0.00 C ATOM 1669 O LEU A 112 18.423 11.487 -2.592 1.00 0.00 O ATOM 1670 CB LEU A 112 17.686 10.631 0.522 1.00 0.00 C ATOM 1671 CG LEU A 112 17.712 10.881 2.032 1.00 0.00 C ATOM 1672 CD1 LEU A 112 16.433 10.371 2.671 1.00 0.00 C ATOM 1673 CD2 LEU A 112 18.924 10.211 2.669 1.00 0.00 C ATOM 0 H LEU A 112 18.107 13.035 -0.148 1.00 0.00 H new ATOM 0 HA LEU A 112 19.801 10.678 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 112 16.798 11.112 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 112 17.573 9.560 0.356 1.00 0.00 H new ATOM 0 HG LEU A 112 17.786 11.955 2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 112 16.464 10.555 3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 112 15.578 10.891 2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 112 16.337 9.301 2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 112 18.923 10.401 3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 112 18.881 9.136 2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 112 19.836 10.615 2.230 1.00 0.00 H new ATOM 1685 N PRO A 113 19.127 9.419 -2.051 1.00 0.00 N ATOM 1686 CA PRO A 113 19.011 8.900 -3.402 1.00 0.00 C ATOM 1687 C PRO A 113 17.582 8.482 -3.718 1.00 0.00 C ATOM 1688 O PRO A 113 16.787 8.172 -2.805 1.00 0.00 O ATOM 1689 CB PRO A 113 19.928 7.669 -3.410 1.00 0.00 C ATOM 1690 CG PRO A 113 20.545 7.610 -2.055 1.00 0.00 C ATOM 1691 CD PRO A 113 19.670 8.405 -1.149 1.00 0.00 C ATOM 0 HA PRO A 113 19.283 9.647 -4.148 1.00 0.00 H new ATOM 0 HB2 PRO A 113 19.362 6.762 -3.621 1.00 0.00 H new ATOM 0 HB3 PRO A 113 20.691 7.756 -4.183 1.00 0.00 H new ATOM 0 HG2 PRO A 113 20.623 6.579 -1.710 1.00 0.00 H new ATOM 0 HG3 PRO A 113 21.556 8.018 -2.072 1.00 0.00 H new ATOM 0 HD2 PRO A 113 18.885 7.795 -0.703 1.00 0.00 H new ATOM 0 HD3 PRO A 113 20.232 8.850 -0.328 1.00 0.00 H new ATOM 1699 N ALA A 114 17.260 8.463 -4.990 1.00 0.00 N ATOM 1700 CA ALA A 114 15.941 8.089 -5.437 1.00 0.00 C ATOM 1701 C ALA A 114 15.867 6.581 -5.566 1.00 0.00 C ATOM 1702 O ALA A 114 14.859 5.956 -5.241 1.00 0.00 O ATOM 1703 CB ALA A 114 15.628 8.755 -6.768 1.00 0.00 C ATOM 0 H ALA A 114 17.905 8.706 -5.742 1.00 0.00 H new ATOM 0 HA ALA A 114 15.202 8.423 -4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 114 14.629 8.464 -7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.671 9.838 -6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.359 8.441 -7.513 1.00 0.00 H new ATOM 1709 N ARG A 115 16.944 5.997 -6.021 1.00 0.00 N ATOM 1710 CA ARG A 115 17.013 4.577 -6.168 1.00 0.00 C ATOM 1711 C ARG A 115 17.766 4.011 -4.997 1.00 0.00 C ATOM 1712 O ARG A 115 18.899 4.405 -4.725 1.00 0.00 O ATOM 1713 CB ARG A 115 17.678 4.171 -7.489 1.00 0.00 C ATOM 1714 CG ARG A 115 17.010 4.747 -8.738 1.00 0.00 C ATOM 1715 CD ARG A 115 15.519 4.427 -8.804 1.00 0.00 C ATOM 1716 NE ARG A 115 15.235 2.983 -8.788 1.00 0.00 N ATOM 1717 CZ ARG A 115 14.019 2.449 -8.949 1.00 0.00 C ATOM 1718 NH1 ARG A 115 12.982 3.225 -9.244 1.00 0.00 N ATOM 1719 NH2 ARG A 115 13.847 1.142 -8.850 1.00 0.00 N ATOM 0 H ARG A 115 17.791 6.494 -6.297 1.00 0.00 H new ATOM 0 HA ARG A 115 16.000 4.175 -6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 115 18.720 4.490 -7.470 1.00 0.00 H new ATOM 0 HB3 ARG A 115 17.679 3.083 -7.562 1.00 0.00 H new ATOM 0 HG2 ARG A 115 17.147 5.828 -8.754 1.00 0.00 H new ATOM 0 HG3 ARG A 115 17.503 4.350 -9.625 1.00 0.00 H new ATOM 0 HD2 ARG A 115 15.015 4.899 -7.961 1.00 0.00 H new ATOM 0 HD3 ARG A 115 15.100 4.863 -9.711 1.00 0.00 H new ATOM 0 HE ARG A 115 16.019 2.346 -8.644 1.00 0.00 H new ATOM 0 HH11 ARG A 115 13.111 4.231 -9.348 1.00 0.00 H new ATOM 0 HH12 ARG A 115 12.056 2.815 -9.366 1.00 0.00 H new ATOM 0 HH21 ARG A 115 14.643 0.537 -8.650 1.00 0.00 H new ATOM 0 HH22 ARG A 115 12.918 0.739 -8.973 1.00 0.00 H new ATOM 1733 N GLU A 116 17.141 3.102 -4.318 1.00 0.00 N ATOM 1734 CA GLU A 116 17.689 2.502 -3.127 1.00 0.00 C ATOM 1735 C GLU A 116 17.439 1.022 -3.208 1.00 0.00 C ATOM 1736 O GLU A 116 18.355 0.214 -3.312 1.00 0.00 O ATOM 1737 CB GLU A 116 16.977 3.070 -1.885 1.00 0.00 C ATOM 1738 CG GLU A 116 17.223 4.547 -1.619 1.00 0.00 C ATOM 1739 CD GLU A 116 18.466 4.816 -0.796 1.00 0.00 C ATOM 1740 OE1 GLU A 116 19.585 4.510 -1.235 1.00 0.00 O ATOM 1741 OE2 GLU A 116 18.321 5.373 0.328 1.00 0.00 O ATOM 0 H GLU A 116 16.220 2.745 -4.574 1.00 0.00 H new ATOM 0 HA GLU A 116 18.756 2.713 -3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 116 15.904 2.910 -1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 116 17.295 2.501 -1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 116 17.308 5.070 -2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 116 16.358 4.964 -1.103 1.00 0.00 H new ATOM 1748 N PHE A 117 16.179 0.683 -3.236 1.00 0.00 N ATOM 1749 CA PHE A 117 15.767 -0.674 -3.267 1.00 0.00 C ATOM 1750 C PHE A 117 15.344 -1.021 -4.649 1.00 0.00 C ATOM 1751 O PHE A 117 14.437 -0.406 -5.214 1.00 0.00 O ATOM 1752 CB PHE A 117 14.632 -0.913 -2.268 1.00 0.00 C ATOM 1753 CG PHE A 117 15.020 -0.534 -0.875 1.00 0.00 C ATOM 1754 CD1 PHE A 117 15.800 -1.377 -0.111 1.00 0.00 C ATOM 1755 CD2 PHE A 117 14.641 0.685 -0.346 1.00 0.00 C ATOM 1756 CE1 PHE A 117 16.188 -1.005 1.163 1.00 0.00 C ATOM 1757 CE2 PHE A 117 15.031 1.058 0.916 1.00 0.00 C ATOM 1758 CZ PHE A 117 15.804 0.214 1.670 1.00 0.00 C ATOM 0 H PHE A 117 15.411 1.354 -3.238 1.00 0.00 H new ATOM 0 HA PHE A 117 16.599 -1.316 -2.978 1.00 0.00 H new ATOM 0 HB2 PHE A 117 13.757 -0.337 -2.570 1.00 0.00 H new ATOM 0 HB3 PHE A 117 14.345 -1.964 -2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 117 16.109 -2.332 -0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 117 14.029 1.354 -0.934 1.00 0.00 H new ATOM 0 HE1 PHE A 117 16.793 -1.672 1.760 1.00 0.00 H new ATOM 0 HE2 PHE A 117 14.729 2.015 1.314 1.00 0.00 H new ATOM 0 HZ PHE A 117 16.112 0.507 2.663 1.00 0.00 H new ATOM 1768 N GLN A 118 16.056 -1.932 -5.208 1.00 0.00 N ATOM 1769 CA GLN A 118 15.763 -2.449 -6.517 1.00 0.00 C ATOM 1770 C GLN A 118 14.621 -3.438 -6.406 1.00 0.00 C ATOM 1771 O GLN A 118 14.253 -3.847 -5.298 1.00 0.00 O ATOM 1772 CB GLN A 118 16.995 -3.156 -7.099 1.00 0.00 C ATOM 1773 CG GLN A 118 17.414 -4.400 -6.323 1.00 0.00 C ATOM 1774 CD GLN A 118 18.672 -5.025 -6.860 1.00 0.00 C ATOM 1775 OE1 GLN A 118 19.770 -4.685 -6.428 1.00 0.00 O ATOM 1776 NE2 GLN A 118 18.544 -5.927 -7.791 1.00 0.00 N ATOM 0 H GLN A 118 16.875 -2.353 -4.770 1.00 0.00 H new ATOM 0 HA GLN A 118 15.487 -1.626 -7.177 1.00 0.00 H new ATOM 0 HB2 GLN A 118 16.788 -3.436 -8.132 1.00 0.00 H new ATOM 0 HB3 GLN A 118 17.829 -2.454 -7.120 1.00 0.00 H new ATOM 0 HG2 GLN A 118 17.563 -4.137 -5.276 1.00 0.00 H new ATOM 0 HG3 GLN A 118 16.607 -5.132 -6.356 1.00 0.00 H new ATOM 0 HE21 GLN A 118 17.616 -6.185 -8.127 1.00 0.00 H new ATOM 0 HE22 GLN A 118 19.372 -6.375 -8.184 1.00 0.00 H new ATOM 1785 N HIS A 119 14.051 -3.783 -7.543 1.00 0.00 N ATOM 1786 CA HIS A 119 12.996 -4.790 -7.654 1.00 0.00 C ATOM 1787 C HIS A 119 11.653 -4.277 -7.175 1.00 0.00 C ATOM 1788 O HIS A 119 10.688 -5.032 -7.080 1.00 0.00 O ATOM 1789 CB HIS A 119 13.385 -6.147 -7.005 1.00 0.00 C ATOM 1790 CG HIS A 119 14.542 -6.821 -7.695 1.00 0.00 C ATOM 1791 ND1 HIS A 119 15.344 -7.786 -7.127 1.00 0.00 N ATOM 1792 CD2 HIS A 119 15.006 -6.657 -8.950 1.00 0.00 C ATOM 1793 CE1 HIS A 119 16.240 -8.167 -8.031 1.00 0.00 C ATOM 1794 NE2 HIS A 119 16.079 -7.506 -9.161 1.00 0.00 N ATOM 0 H HIS A 119 14.308 -3.367 -8.438 1.00 0.00 H new ATOM 0 HA HIS A 119 12.884 -4.992 -8.719 1.00 0.00 H new ATOM 0 HB2 HIS A 119 13.640 -5.983 -5.958 1.00 0.00 H new ATOM 0 HB3 HIS A 119 12.522 -6.812 -7.022 1.00 0.00 H new ATOM 0 HD1 HIS A 119 15.264 -8.146 -6.176 1.00 0.00 H new ATOM 0 HD2 HIS A 119 14.603 -5.969 -9.679 1.00 0.00 H new ATOM 0 HE1 HIS A 119 16.998 -8.917 -7.863 1.00 0.00 H new ATOM 1802 N VAL A 120 11.583 -2.994 -6.904 1.00 0.00 N ATOM 1803 CA VAL A 120 10.328 -2.381 -6.574 1.00 0.00 C ATOM 1804 C VAL A 120 9.621 -2.017 -7.866 1.00 0.00 C ATOM 1805 O VAL A 120 10.261 -1.620 -8.851 1.00 0.00 O ATOM 1806 CB VAL A 120 10.458 -1.145 -5.626 1.00 0.00 C ATOM 1807 CG1 VAL A 120 11.064 -1.558 -4.295 1.00 0.00 C ATOM 1808 CG2 VAL A 120 11.275 -0.024 -6.255 1.00 0.00 C ATOM 0 H VAL A 120 12.382 -2.360 -6.907 1.00 0.00 H new ATOM 0 HA VAL A 120 9.740 -3.102 -6.006 1.00 0.00 H new ATOM 0 HB VAL A 120 9.453 -0.760 -5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.148 -0.686 -3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.426 -2.303 -3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.054 -1.982 -4.462 1.00 0.00 H new ATOM 0 HG21 VAL A 120 11.339 0.814 -5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 120 12.278 -0.387 -6.479 1.00 0.00 H new ATOM 0 HG23 VAL A 120 10.794 0.304 -7.176 1.00 0.00 H new ATOM 1818 N ASP A 121 8.338 -2.151 -7.867 1.00 0.00 N ATOM 1819 CA ASP A 121 7.538 -1.979 -9.084 1.00 0.00 C ATOM 1820 C ASP A 121 7.454 -0.531 -9.502 1.00 0.00 C ATOM 1821 O ASP A 121 7.641 -0.196 -10.670 1.00 0.00 O ATOM 1822 CB ASP A 121 6.137 -2.565 -8.883 1.00 0.00 C ATOM 1823 CG ASP A 121 5.192 -2.327 -10.052 1.00 0.00 C ATOM 1824 OD1 ASP A 121 5.353 -2.984 -11.109 1.00 0.00 O ATOM 1825 OD2 ASP A 121 4.252 -1.513 -9.915 1.00 0.00 O ATOM 0 H ASP A 121 7.792 -2.382 -7.037 1.00 0.00 H new ATOM 0 HA ASP A 121 8.037 -2.519 -9.888 1.00 0.00 H new ATOM 0 HB2 ASP A 121 6.224 -3.638 -8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 121 5.700 -2.134 -7.982 1.00 0.00 H new ATOM 1830 N LYS A 122 7.248 0.315 -8.546 1.00 0.00 N ATOM 1831 CA LYS A 122 7.036 1.717 -8.781 1.00 0.00 C ATOM 1832 C LYS A 122 7.350 2.432 -7.491 1.00 0.00 C ATOM 1833 O LYS A 122 7.522 1.789 -6.463 1.00 0.00 O ATOM 1834 CB LYS A 122 5.580 1.961 -9.228 1.00 0.00 C ATOM 1835 CG LYS A 122 5.272 3.363 -9.738 1.00 0.00 C ATOM 1836 CD LYS A 122 3.832 3.478 -10.223 1.00 0.00 C ATOM 1837 CE LYS A 122 3.558 2.518 -11.376 1.00 0.00 C ATOM 1838 NZ LYS A 122 2.198 2.674 -11.922 1.00 0.00 N ATOM 0 H LYS A 122 7.221 0.053 -7.561 1.00 0.00 H new ATOM 0 HA LYS A 122 7.679 2.092 -9.578 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.336 1.247 -10.014 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.920 1.747 -8.387 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.448 4.087 -8.943 1.00 0.00 H new ATOM 0 HG3 LYS A 122 5.952 3.612 -10.552 1.00 0.00 H new ATOM 0 HD2 LYS A 122 3.150 3.265 -9.400 1.00 0.00 H new ATOM 0 HD3 LYS A 122 3.634 4.501 -10.544 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.287 2.688 -12.168 1.00 0.00 H new ATOM 0 HE3 LYS A 122 3.694 1.493 -11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 2.058 2.001 -12.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 1.500 2.486 -11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 2.075 3.644 -12.275 1.00 0.00 H new ATOM 1852 N TYR A 123 7.528 3.701 -7.543 1.00 0.00 N ATOM 1853 CA TYR A 123 7.793 4.459 -6.355 1.00 0.00 C ATOM 1854 C TYR A 123 6.680 5.474 -6.149 1.00 0.00 C ATOM 1855 O TYR A 123 5.956 5.824 -7.104 1.00 0.00 O ATOM 1856 CB TYR A 123 9.157 5.162 -6.438 1.00 0.00 C ATOM 1857 CG TYR A 123 9.197 6.246 -7.467 1.00 0.00 C ATOM 1858 CD1 TYR A 123 9.343 5.949 -8.802 1.00 0.00 C ATOM 1859 CD2 TYR A 123 9.054 7.567 -7.098 1.00 0.00 C ATOM 1860 CE1 TYR A 123 9.343 6.932 -9.742 1.00 0.00 C ATOM 1861 CE2 TYR A 123 9.058 8.558 -8.027 1.00 0.00 C ATOM 1862 CZ TYR A 123 9.201 8.243 -9.355 1.00 0.00 C ATOM 1863 OH TYR A 123 9.190 9.241 -10.305 1.00 0.00 O ATOM 0 H TYR A 123 7.496 4.251 -8.402 1.00 0.00 H new ATOM 0 HA TYR A 123 7.826 3.779 -5.504 1.00 0.00 H new ATOM 0 HB2 TYR A 123 9.401 5.585 -5.464 1.00 0.00 H new ATOM 0 HB3 TYR A 123 9.926 4.424 -6.666 1.00 0.00 H new ATOM 0 HD1 TYR A 123 9.459 4.920 -9.108 1.00 0.00 H new ATOM 0 HD2 TYR A 123 8.937 7.818 -6.054 1.00 0.00 H new ATOM 0 HE1 TYR A 123 9.454 6.684 -10.787 1.00 0.00 H new ATOM 0 HE2 TYR A 123 8.949 9.588 -7.722 1.00 0.00 H new ATOM 0 HH TYR A 123 9.080 10.110 -9.865 1.00 0.00 H new ATOM 1873 N VAL A 124 6.528 5.912 -4.934 1.00 0.00 N ATOM 1874 CA VAL A 124 5.580 6.955 -4.576 1.00 0.00 C ATOM 1875 C VAL A 124 6.267 7.860 -3.593 1.00 0.00 C ATOM 1876 O VAL A 124 7.357 7.533 -3.144 1.00 0.00 O ATOM 1877 CB VAL A 124 4.261 6.412 -3.936 1.00 0.00 C ATOM 1878 CG1 VAL A 124 3.451 5.601 -4.929 1.00 0.00 C ATOM 1879 CG2 VAL A 124 4.549 5.589 -2.686 1.00 0.00 C ATOM 0 H VAL A 124 7.063 5.556 -4.142 1.00 0.00 H new ATOM 0 HA VAL A 124 5.283 7.471 -5.489 1.00 0.00 H new ATOM 0 HB VAL A 124 3.667 7.279 -3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.542 5.240 -4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.187 6.227 -5.781 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.041 4.752 -5.272 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.611 5.226 -2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.182 4.741 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 124 5.060 6.211 -1.951 1.00 0.00 H new ATOM 1889 N LEU A 125 5.662 8.961 -3.256 1.00 0.00 N ATOM 1890 CA LEU A 125 6.251 9.873 -2.299 1.00 0.00 C ATOM 1891 C LEU A 125 6.083 9.309 -0.883 1.00 0.00 C ATOM 1892 O LEU A 125 5.071 8.654 -0.587 1.00 0.00 O ATOM 1893 CB LEU A 125 5.587 11.253 -2.403 1.00 0.00 C ATOM 1894 CG LEU A 125 6.195 12.366 -1.542 1.00 0.00 C ATOM 1895 CD1 LEU A 125 7.618 12.670 -1.983 1.00 0.00 C ATOM 1896 CD2 LEU A 125 5.338 13.615 -1.597 1.00 0.00 C ATOM 0 H LEU A 125 4.759 9.256 -3.626 1.00 0.00 H new ATOM 0 HA LEU A 125 7.313 9.984 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 125 5.619 11.570 -3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.536 11.148 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 125 6.225 12.019 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 125 8.031 13.463 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 125 8.230 11.773 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 125 7.615 12.992 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 125 5.788 14.392 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.270 13.964 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.339 13.388 -1.224 1.00 0.00 H new ATOM 1908 N ASP A 126 7.073 9.511 -0.040 1.00 0.00 N ATOM 1909 CA ASP A 126 6.996 9.052 1.340 1.00 0.00 C ATOM 1910 C ASP A 126 6.168 10.040 2.144 1.00 0.00 C ATOM 1911 O ASP A 126 6.563 11.193 2.323 1.00 0.00 O ATOM 1912 CB ASP A 126 8.394 8.928 1.976 1.00 0.00 C ATOM 1913 CG ASP A 126 8.395 8.190 3.322 1.00 0.00 C ATOM 1914 OD1 ASP A 126 7.597 8.534 4.231 1.00 0.00 O ATOM 1915 OD2 ASP A 126 9.227 7.267 3.500 1.00 0.00 O ATOM 0 H ASP A 126 7.941 9.989 -0.281 1.00 0.00 H new ATOM 0 HA ASP A 126 6.533 8.065 1.346 1.00 0.00 H new ATOM 0 HB2 ASP A 126 9.053 8.404 1.284 1.00 0.00 H new ATOM 0 HB3 ASP A 126 8.809 9.926 2.118 1.00 0.00 H new ATOM 1920 N ASN A 127 5.015 9.609 2.584 1.00 0.00 N ATOM 1921 CA ASN A 127 4.137 10.446 3.406 1.00 0.00 C ATOM 1922 C ASN A 127 4.080 9.915 4.826 1.00 0.00 C ATOM 1923 O ASN A 127 3.173 10.247 5.603 1.00 0.00 O ATOM 1924 CB ASN A 127 2.712 10.524 2.817 1.00 0.00 C ATOM 1925 CG ASN A 127 2.626 11.327 1.526 1.00 0.00 C ATOM 1926 OD1 ASN A 127 2.778 10.791 0.434 1.00 0.00 O ATOM 1927 ND2 ASN A 127 2.357 12.603 1.638 1.00 0.00 N ATOM 0 H ASN A 127 4.647 8.677 2.392 1.00 0.00 H new ATOM 0 HA ASN A 127 4.555 11.453 3.413 1.00 0.00 H new ATOM 0 HB2 ASN A 127 2.350 9.513 2.630 1.00 0.00 H new ATOM 0 HB3 ASN A 127 2.047 10.970 3.557 1.00 0.00 H new ATOM 0 HD21 ASN A 127 2.268 13.181 0.802 1.00 0.00 H new ATOM 0 HD22 ASN A 127 2.236 13.020 2.561 1.00 0.00 H new ATOM 1934 N GLY A 128 5.060 9.113 5.181 1.00 0.00 N ATOM 1935 CA GLY A 128 5.102 8.534 6.499 1.00 0.00 C ATOM 1936 C GLY A 128 6.080 9.261 7.389 1.00 0.00 C ATOM 1937 O GLY A 128 6.189 8.963 8.593 1.00 0.00 O ATOM 0 H GLY A 128 5.836 8.849 4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 128 4.108 8.568 6.945 1.00 0.00 H new ATOM 0 HA3 GLY A 128 5.384 7.484 6.428 1.00 0.00 H new ATOM 1941 N GLN A 129 6.795 10.208 6.794 1.00 0.00 N ATOM 1942 CA GLN A 129 7.769 11.022 7.494 1.00 0.00 C ATOM 1943 C GLN A 129 7.117 11.855 8.588 1.00 0.00 C ATOM 1944 O GLN A 129 5.986 12.361 8.429 1.00 0.00 O ATOM 1945 CB GLN A 129 8.503 11.964 6.537 1.00 0.00 C ATOM 1946 CG GLN A 129 9.289 11.280 5.433 1.00 0.00 C ATOM 1947 CD GLN A 129 10.087 12.263 4.583 1.00 0.00 C ATOM 1948 OE1 GLN A 129 10.285 12.046 3.389 1.00 0.00 O ATOM 1949 NE2 GLN A 129 10.596 13.312 5.190 1.00 0.00 N ATOM 0 H GLN A 129 6.711 10.431 5.802 1.00 0.00 H new ATOM 0 HA GLN A 129 8.483 10.330 7.942 1.00 0.00 H new ATOM 0 HB2 GLN A 129 7.774 12.633 6.081 1.00 0.00 H new ATOM 0 HB3 GLN A 129 9.186 12.585 7.117 1.00 0.00 H new ATOM 0 HG2 GLN A 129 9.970 10.552 5.875 1.00 0.00 H new ATOM 0 HG3 GLN A 129 8.602 10.727 4.793 1.00 0.00 H new ATOM 0 HE21 GLN A 129 10.414 13.465 6.182 1.00 0.00 H new ATOM 0 HE22 GLN A 129 11.173 13.973 4.669 1.00 0.00 H new ATOM 1958 N GLY A 130 7.812 11.976 9.683 1.00 0.00 N ATOM 1959 CA GLY A 130 7.349 12.776 10.785 1.00 0.00 C ATOM 1960 C GLY A 130 8.429 13.715 11.273 1.00 0.00 C ATOM 1961 O GLY A 130 8.147 14.836 11.719 1.00 0.00 O ATOM 0 H GLY A 130 8.713 11.525 9.839 1.00 0.00 H new ATOM 0 HA2 GLY A 130 6.475 13.351 10.478 1.00 0.00 H new ATOM 0 HA3 GLY A 130 7.033 12.127 11.601 1.00 0.00 H new ATOM 1965 N GLY A 131 9.665 13.269 11.169 1.00 0.00 N ATOM 1966 CA GLY A 131 10.788 14.063 11.594 1.00 0.00 C ATOM 1967 C GLY A 131 11.510 13.420 12.748 1.00 0.00 C ATOM 1968 O GLY A 131 10.960 12.546 13.418 1.00 0.00 O ATOM 0 H GLY A 131 9.912 12.355 10.791 1.00 0.00 H new ATOM 0 HA2 GLY A 131 11.477 14.196 10.760 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.444 15.056 11.885 1.00 0.00 H new ATOM 1972 N ALA A 132 12.730 13.812 12.967 1.00 0.00 N ATOM 1973 CA ALA A 132 13.504 13.298 14.071 1.00 0.00 C ATOM 1974 C ALA A 132 13.255 14.152 15.302 1.00 0.00 C ATOM 1975 O ALA A 132 13.711 15.299 15.377 1.00 0.00 O ATOM 1976 CB ALA A 132 14.986 13.271 13.722 1.00 0.00 C ATOM 0 H ALA A 132 13.221 14.495 12.390 1.00 0.00 H new ATOM 0 HA ALA A 132 13.194 12.274 14.280 1.00 0.00 H new ATOM 0 HB1 ALA A 132 15.552 12.880 14.568 1.00 0.00 H new ATOM 0 HB2 ALA A 132 15.144 12.632 12.853 1.00 0.00 H new ATOM 0 HB3 ALA A 132 15.325 14.282 13.495 1.00 0.00 H new ATOM 1982 N GLY A 133 12.491 13.621 16.224 1.00 0.00 N ATOM 1983 CA GLY A 133 12.172 14.326 17.440 1.00 0.00 C ATOM 1984 C GLY A 133 13.362 14.451 18.360 1.00 0.00 C ATOM 1985 O GLY A 133 13.798 13.463 18.972 1.00 0.00 O ATOM 0 H GLY A 133 12.075 12.693 16.153 1.00 0.00 H new ATOM 0 HA2 GLY A 133 11.800 15.321 17.194 1.00 0.00 H new ATOM 0 HA3 GLY A 133 11.368 13.805 17.959 1.00 0.00 H new ATOM 1989 N SER A 134 13.913 15.625 18.428 1.00 0.00 N ATOM 1990 CA SER A 134 15.023 15.898 19.277 1.00 0.00 C ATOM 1991 C SER A 134 14.998 17.395 19.576 1.00 0.00 C ATOM 1992 O SER A 134 15.510 18.188 18.762 1.00 0.00 O ATOM 1993 CB SER A 134 16.343 15.464 18.584 1.00 0.00 C ATOM 1994 OG SER A 134 17.445 15.421 19.495 1.00 0.00 O ATOM 0 H SER A 134 13.596 16.429 17.886 1.00 0.00 H new ATOM 0 HA SER A 134 14.963 15.337 20.210 1.00 0.00 H new ATOM 0 HB2 SER A 134 16.208 14.481 18.134 1.00 0.00 H new ATOM 0 HB3 SER A 134 16.571 16.157 17.774 1.00 0.00 H new ATOM 0 HG SER A 134 18.254 15.142 19.017 1.00 0.00 H new TER 2000 SER A 134