USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 555 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 22 GLN : amide:sc= 0.523 K(o=2.9,f=-3.9) USER MOD Set 1.2: A 27 LYS NZ :NH3+ -147:sc= 2.42 (180deg=1.07) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 12 GLN : amide:sc= 0.195 X(o=0.2,f=-0.095) USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.02) USER MOD Single : A 14 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.102) USER MOD Single : A 15 HIS : no HD1:sc= -0.0282 X(o=-0.028,f=-0.0023) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 83:sc= 1.08 USER MOD Single : A 25 TYR OH : rot 30:sc= -1.07 USER MOD Single : A 26 THR OG1 : rot -57:sc= 0.481 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 149:sc= 1.19 (180deg=-0.522) USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= -2.99! (180deg=-4.26!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.023 USER MOD Single : A 40 SER OG : rot -79:sc= 0.878 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 130:sc= 1.02 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -7.68! K(o=-7.7!,f=-0.72) USER MOD Single : A 61 GLN : amide:sc= -2.09! C(o=-2.1!,f=-1.2!) USER MOD Single : A 67 LYS NZ :NH3+ -156:sc= 1.05 (180deg=0.514) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 5 18.572 -2.710 -0.364 1.00 0.00 N ATOM 2 CA ASN A 5 18.033 -3.043 0.950 1.00 0.00 C ATOM 3 C ASN A 5 16.644 -2.482 1.085 1.00 0.00 C ATOM 4 O ASN A 5 15.717 -3.143 1.547 1.00 0.00 O ATOM 5 CB ASN A 5 18.933 -2.505 2.061 1.00 0.00 C ATOM 6 CG ASN A 5 18.374 -2.780 3.443 1.00 0.00 C ATOM 7 OD1 ASN A 5 17.705 -1.934 4.039 1.00 0.00 O ATOM 8 ND2 ASN A 5 18.632 -3.971 3.956 1.00 0.00 N ATOM 0 HA ASN A 5 17.993 -4.128 1.045 1.00 0.00 H new ATOM 0 HB2 ASN A 5 19.921 -2.957 1.975 1.00 0.00 H new ATOM 0 HB3 ASN A 5 19.062 -1.430 1.932 1.00 0.00 H new ATOM 0 HD21 ASN A 5 18.273 -4.218 4.878 1.00 0.00 H new ATOM 0 HD22 ASN A 5 19.190 -4.643 3.430 1.00 0.00 H new ATOM 15 N GLU A 6 16.518 -1.268 0.622 1.00 0.00 N ATOM 16 CA GLU A 6 15.260 -0.556 0.621 1.00 0.00 C ATOM 17 C GLU A 6 14.314 -1.186 -0.386 1.00 0.00 C ATOM 18 O GLU A 6 13.103 -1.145 -0.223 1.00 0.00 O ATOM 19 CB GLU A 6 15.554 0.898 0.289 1.00 0.00 C ATOM 20 CG GLU A 6 16.734 1.031 -0.663 1.00 0.00 C ATOM 21 CD GLU A 6 16.359 0.816 -2.106 1.00 0.00 C ATOM 22 OE1 GLU A 6 15.336 1.368 -2.545 1.00 0.00 O ATOM 23 OE2 GLU A 6 17.088 0.079 -2.794 1.00 0.00 O ATOM 0 H GLU A 6 17.294 -0.735 0.229 1.00 0.00 H new ATOM 0 HA GLU A 6 14.773 -0.610 1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 6 14.672 1.354 -0.159 1.00 0.00 H new ATOM 0 HB3 GLU A 6 15.764 1.446 1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 6 17.172 2.023 -0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.502 0.310 -0.383 1.00 0.00 H new ATOM 30 N ARG A 7 14.895 -1.789 -1.415 1.00 0.00 N ATOM 31 CA ARG A 7 14.138 -2.528 -2.410 1.00 0.00 C ATOM 32 C ARG A 7 13.526 -3.782 -1.799 1.00 0.00 C ATOM 33 O ARG A 7 12.344 -4.062 -1.985 1.00 0.00 O ATOM 34 CB ARG A 7 15.042 -2.886 -3.589 1.00 0.00 C ATOM 35 CG ARG A 7 15.287 -1.719 -4.534 1.00 0.00 C ATOM 36 CD ARG A 7 13.994 -0.970 -4.819 1.00 0.00 C ATOM 37 NE ARG A 7 14.115 -0.041 -5.941 1.00 0.00 N ATOM 38 CZ ARG A 7 13.857 1.266 -5.856 1.00 0.00 C ATOM 39 NH1 ARG A 7 13.638 1.826 -4.674 1.00 0.00 N ATOM 40 NH2 ARG A 7 13.877 2.019 -6.950 1.00 0.00 N ATOM 0 H ARG A 7 15.901 -1.778 -1.581 1.00 0.00 H new ATOM 0 HA ARG A 7 13.324 -1.900 -2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 7 15.999 -3.244 -3.209 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.593 -3.708 -4.146 1.00 0.00 H new ATOM 0 HG2 ARG A 7 16.017 -1.038 -4.096 1.00 0.00 H new ATOM 0 HG3 ARG A 7 15.713 -2.085 -5.468 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.202 -1.688 -5.031 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.694 -0.419 -3.927 1.00 0.00 H new ATOM 0 HE ARG A 7 14.414 -0.413 -6.842 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.667 1.258 -3.827 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.441 2.825 -4.612 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.089 1.599 -7.855 1.00 0.00 H new ATOM 0 HH22 ARG A 7 13.680 3.018 -6.885 1.00 0.00 H new ATOM 54 N ARG A 8 14.338 -4.522 -1.051 1.00 0.00 N ATOM 55 CA ARG A 8 13.869 -5.721 -0.364 1.00 0.00 C ATOM 56 C ARG A 8 12.827 -5.356 0.694 1.00 0.00 C ATOM 57 O ARG A 8 11.835 -6.068 0.875 1.00 0.00 O ATOM 58 CB ARG A 8 15.053 -6.459 0.268 1.00 0.00 C ATOM 59 CG ARG A 8 14.673 -7.731 1.010 1.00 0.00 C ATOM 60 CD ARG A 8 15.905 -8.454 1.530 1.00 0.00 C ATOM 61 NE ARG A 8 16.844 -8.774 0.451 1.00 0.00 N ATOM 62 CZ ARG A 8 18.062 -9.281 0.641 1.00 0.00 C ATOM 63 NH1 ARG A 8 18.507 -9.533 1.868 1.00 0.00 N ATOM 64 NH2 ARG A 8 18.838 -9.536 -0.402 1.00 0.00 N ATOM 0 H ARG A 8 15.325 -4.312 -0.905 1.00 0.00 H new ATOM 0 HA ARG A 8 13.396 -6.383 -1.089 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.770 -6.709 -0.514 1.00 0.00 H new ATOM 0 HB3 ARG A 8 15.558 -5.786 0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 8 14.014 -7.486 1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.115 -8.390 0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.404 -7.833 2.274 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.602 -9.373 2.033 1.00 0.00 H new ATOM 0 HE ARG A 8 16.546 -8.597 -0.508 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.915 -9.338 2.675 1.00 0.00 H new ATOM 0 HH12 ARG A 8 19.441 -9.921 2.002 1.00 0.00 H new ATOM 0 HH21 ARG A 8 18.503 -9.344 -1.346 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.771 -9.924 -0.261 1.00 0.00 H new ATOM 78 N ILE A 9 13.049 -4.238 1.380 1.00 0.00 N ATOM 79 CA ILE A 9 12.082 -3.721 2.336 1.00 0.00 C ATOM 80 C ILE A 9 10.793 -3.317 1.625 1.00 0.00 C ATOM 81 O ILE A 9 9.693 -3.668 2.061 1.00 0.00 O ATOM 82 CB ILE A 9 12.655 -2.500 3.077 1.00 0.00 C ATOM 83 CG1 ILE A 9 13.775 -2.924 4.016 1.00 0.00 C ATOM 84 CG2 ILE A 9 11.566 -1.767 3.850 1.00 0.00 C ATOM 85 CD1 ILE A 9 14.516 -1.749 4.604 1.00 0.00 C ATOM 0 H ILE A 9 13.894 -3.673 1.289 1.00 0.00 H new ATOM 0 HA ILE A 9 11.866 -4.510 3.056 1.00 0.00 H new ATOM 0 HB ILE A 9 13.062 -1.816 2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.359 -3.527 4.823 1.00 0.00 H new ATOM 0 HG13 ILE A 9 14.477 -3.558 3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.999 -0.909 4.364 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.796 -1.425 3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.122 -2.442 4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 9 15.304 -2.110 5.266 1.00 0.00 H new ATOM 0 HD12 ILE A 9 14.958 -1.159 3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.822 -1.128 5.171 1.00 0.00 H new ATOM 97 N LEU A 10 10.952 -2.588 0.527 1.00 0.00 N ATOM 98 CA LEU A 10 9.833 -2.091 -0.253 1.00 0.00 C ATOM 99 C LEU A 10 8.938 -3.226 -0.713 1.00 0.00 C ATOM 100 O LEU A 10 7.727 -3.159 -0.560 1.00 0.00 O ATOM 101 CB LEU A 10 10.351 -1.317 -1.465 1.00 0.00 C ATOM 102 CG LEU A 10 9.333 -0.403 -2.135 1.00 0.00 C ATOM 103 CD1 LEU A 10 8.898 0.682 -1.165 1.00 0.00 C ATOM 104 CD2 LEU A 10 9.918 0.209 -3.397 1.00 0.00 C ATOM 0 H LEU A 10 11.865 -2.326 0.154 1.00 0.00 H new ATOM 0 HA LEU A 10 9.244 -1.428 0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.206 -0.716 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.715 -2.031 -2.203 1.00 0.00 H new ATOM 0 HG LEU A 10 8.460 -0.992 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.170 1.333 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.446 0.224 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.765 1.269 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.178 0.859 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.803 0.792 -3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.193 -0.584 -4.092 1.00 0.00 H new ATOM 116 N GLU A 11 9.541 -4.268 -1.270 1.00 0.00 N ATOM 117 CA GLU A 11 8.786 -5.417 -1.755 1.00 0.00 C ATOM 118 C GLU A 11 8.068 -6.138 -0.612 1.00 0.00 C ATOM 119 O GLU A 11 6.934 -6.601 -0.770 1.00 0.00 O ATOM 120 CB GLU A 11 9.708 -6.369 -2.518 1.00 0.00 C ATOM 121 CG GLU A 11 10.188 -5.793 -3.840 1.00 0.00 C ATOM 122 CD GLU A 11 10.934 -6.806 -4.679 1.00 0.00 C ATOM 123 OE1 GLU A 11 12.162 -6.951 -4.504 1.00 0.00 O ATOM 124 OE2 GLU A 11 10.295 -7.474 -5.514 1.00 0.00 O ATOM 0 H GLU A 11 10.550 -4.342 -1.397 1.00 0.00 H new ATOM 0 HA GLU A 11 8.018 -5.057 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.571 -6.607 -1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.182 -7.305 -2.705 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.332 -5.421 -4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.837 -4.939 -3.646 1.00 0.00 H new ATOM 131 N GLN A 12 8.716 -6.213 0.544 1.00 0.00 N ATOM 132 CA GLN A 12 8.097 -6.802 1.718 1.00 0.00 C ATOM 133 C GLN A 12 6.859 -6.004 2.140 1.00 0.00 C ATOM 134 O GLN A 12 5.788 -6.576 2.367 1.00 0.00 O ATOM 135 CB GLN A 12 9.096 -6.868 2.873 1.00 0.00 C ATOM 136 CG GLN A 12 8.540 -7.538 4.118 1.00 0.00 C ATOM 137 CD GLN A 12 8.071 -8.959 3.855 1.00 0.00 C ATOM 138 OE1 GLN A 12 8.837 -9.915 3.984 1.00 0.00 O ATOM 139 NE2 GLN A 12 6.809 -9.109 3.478 1.00 0.00 N ATOM 0 H GLN A 12 9.667 -5.874 0.690 1.00 0.00 H new ATOM 0 HA GLN A 12 7.785 -7.815 1.463 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.984 -7.409 2.545 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.414 -5.857 3.126 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.306 -7.550 4.893 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.707 -6.949 4.502 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.205 -8.293 3.382 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.442 -10.041 3.284 1.00 0.00 H new ATOM 148 N LYS A 13 7.006 -4.681 2.241 1.00 0.00 N ATOM 149 CA LYS A 13 5.886 -3.817 2.617 1.00 0.00 C ATOM 150 C LYS A 13 4.894 -3.675 1.480 1.00 0.00 C ATOM 151 O LYS A 13 3.745 -3.347 1.706 1.00 0.00 O ATOM 152 CB LYS A 13 6.353 -2.434 3.085 1.00 0.00 C ATOM 153 CG LYS A 13 6.995 -2.446 4.467 1.00 0.00 C ATOM 154 CD LYS A 13 6.117 -3.171 5.484 1.00 0.00 C ATOM 155 CE LYS A 13 6.674 -3.076 6.898 1.00 0.00 C ATOM 156 NZ LYS A 13 6.544 -1.705 7.460 1.00 0.00 N ATOM 0 H LYS A 13 7.882 -4.188 2.069 1.00 0.00 H new ATOM 0 HA LYS A 13 5.389 -4.302 3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.068 -2.037 2.364 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.500 -1.755 3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.969 -2.932 4.413 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.168 -1.422 4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.113 -2.747 5.462 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.027 -4.220 5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.150 -3.782 7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.724 -3.367 6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.710 -1.733 8.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.244 -1.079 7.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.587 -1.343 7.274 1.00 0.00 H new ATOM 170 N LYS A 14 5.337 -3.932 0.267 1.00 0.00 N ATOM 171 CA LYS A 14 4.455 -3.928 -0.893 1.00 0.00 C ATOM 172 C LYS A 14 3.368 -4.980 -0.700 1.00 0.00 C ATOM 173 O LYS A 14 2.172 -4.694 -0.818 1.00 0.00 O ATOM 174 CB LYS A 14 5.281 -4.228 -2.143 1.00 0.00 C ATOM 175 CG LYS A 14 4.711 -3.690 -3.445 1.00 0.00 C ATOM 176 CD LYS A 14 5.796 -3.659 -4.514 1.00 0.00 C ATOM 177 CE LYS A 14 5.251 -3.358 -5.899 1.00 0.00 C ATOM 178 NZ LYS A 14 4.435 -4.487 -6.426 1.00 0.00 N ATOM 0 H LYS A 14 6.310 -4.149 0.053 1.00 0.00 H new ATOM 0 HA LYS A 14 3.980 -2.954 -1.008 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.280 -3.815 -2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.392 -5.308 -2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.882 -4.316 -3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.312 -2.687 -3.290 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.538 -2.906 -4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.309 -4.620 -4.532 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.642 -2.455 -5.862 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.078 -3.157 -6.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.236 -4.330 -7.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.959 -5.378 -6.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.539 -4.542 -5.901 1.00 0.00 H new ATOM 192 N HIS A 15 3.795 -6.191 -0.355 1.00 0.00 N ATOM 193 CA HIS A 15 2.860 -7.271 -0.063 1.00 0.00 C ATOM 194 C HIS A 15 2.056 -6.958 1.193 1.00 0.00 C ATOM 195 O HIS A 15 0.865 -7.247 1.262 1.00 0.00 O ATOM 196 CB HIS A 15 3.594 -8.611 0.110 1.00 0.00 C ATOM 197 CG HIS A 15 2.687 -9.756 0.488 1.00 0.00 C ATOM 198 ND1 HIS A 15 3.067 -10.765 1.347 1.00 0.00 N ATOM 199 CD2 HIS A 15 1.407 -10.042 0.128 1.00 0.00 C ATOM 200 CE1 HIS A 15 2.068 -11.617 1.494 1.00 0.00 C ATOM 201 NE2 HIS A 15 1.051 -11.201 0.767 1.00 0.00 N ATOM 0 H HIS A 15 4.779 -6.448 -0.271 1.00 0.00 H new ATOM 0 HA HIS A 15 2.180 -7.357 -0.910 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.106 -8.857 -0.820 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.361 -8.499 0.876 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.786 -9.463 -0.539 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.083 -12.506 2.107 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.146 -11.666 0.692 1.00 0.00 H new ATOM 210 N TYR A 16 2.706 -6.369 2.189 1.00 0.00 N ATOM 211 CA TYR A 16 2.033 -6.081 3.448 1.00 0.00 C ATOM 212 C TYR A 16 1.123 -4.863 3.363 1.00 0.00 C ATOM 213 O TYR A 16 0.188 -4.748 4.144 1.00 0.00 O ATOM 214 CB TYR A 16 3.032 -5.951 4.594 1.00 0.00 C ATOM 215 CG TYR A 16 3.316 -7.283 5.243 1.00 0.00 C ATOM 216 CD1 TYR A 16 2.290 -8.202 5.419 1.00 0.00 C ATOM 217 CD2 TYR A 16 4.590 -7.634 5.663 1.00 0.00 C ATOM 218 CE1 TYR A 16 2.520 -9.427 6.001 1.00 0.00 C ATOM 219 CE2 TYR A 16 4.832 -8.865 6.245 1.00 0.00 C ATOM 220 CZ TYR A 16 3.792 -9.756 6.411 1.00 0.00 C ATOM 221 OH TYR A 16 4.029 -10.980 6.981 1.00 0.00 O ATOM 0 H TYR A 16 3.685 -6.085 2.151 1.00 0.00 H new ATOM 0 HA TYR A 16 1.388 -6.934 3.658 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.962 -5.524 4.219 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.641 -5.259 5.340 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.292 -7.950 5.093 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.404 -6.937 5.534 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.708 -10.126 6.135 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.829 -9.127 6.567 1.00 0.00 H new ATOM 0 HH TYR A 16 4.978 -11.055 7.213 1.00 0.00 H new ATOM 231 N PHE A 17 1.375 -3.969 2.422 1.00 0.00 N ATOM 232 CA PHE A 17 0.476 -2.860 2.191 1.00 0.00 C ATOM 233 C PHE A 17 -0.749 -3.341 1.427 1.00 0.00 C ATOM 234 O PHE A 17 -1.815 -2.751 1.524 1.00 0.00 O ATOM 235 CB PHE A 17 1.175 -1.750 1.428 1.00 0.00 C ATOM 236 CG PHE A 17 0.317 -0.545 1.258 1.00 0.00 C ATOM 237 CD1 PHE A 17 -0.111 0.146 2.367 1.00 0.00 C ATOM 238 CD2 PHE A 17 -0.067 -0.108 -0.001 1.00 0.00 C ATOM 239 CE1 PHE A 17 -0.911 1.258 2.242 1.00 0.00 C ATOM 240 CE2 PHE A 17 -0.870 1.007 -0.139 1.00 0.00 C ATOM 241 CZ PHE A 17 -1.287 1.695 0.987 1.00 0.00 C ATOM 0 H PHE A 17 2.191 -3.992 1.811 1.00 0.00 H new ATOM 0 HA PHE A 17 0.160 -2.459 3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.087 -1.471 1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.474 -2.120 0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.185 -0.189 3.350 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.264 -0.643 -0.879 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.244 1.788 3.122 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.171 1.341 -1.121 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.906 2.574 0.884 1.00 0.00 H new ATOM 251 N TRP A 18 -0.584 -4.426 0.680 1.00 0.00 N ATOM 252 CA TRP A 18 -1.722 -5.082 0.019 1.00 0.00 C ATOM 253 C TRP A 18 -2.474 -5.883 1.065 1.00 0.00 C ATOM 254 O TRP A 18 -3.696 -5.993 1.042 1.00 0.00 O ATOM 255 CB TRP A 18 -1.233 -5.998 -1.112 1.00 0.00 C ATOM 256 CG TRP A 18 -2.290 -6.601 -2.027 1.00 0.00 C ATOM 257 CD1 TRP A 18 -2.063 -7.634 -2.892 1.00 0.00 C ATOM 258 CD2 TRP A 18 -3.690 -6.238 -2.214 1.00 0.00 C ATOM 259 NE1 TRP A 18 -3.196 -7.924 -3.602 1.00 0.00 N ATOM 260 CE2 TRP A 18 -4.205 -7.104 -3.204 1.00 0.00 C ATOM 261 CE3 TRP A 18 -4.568 -5.287 -1.658 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -5.523 -7.049 -3.646 1.00 0.00 C ATOM 263 CZ3 TRP A 18 -5.885 -5.237 -2.113 1.00 0.00 C ATOM 264 CH2 TRP A 18 -6.343 -6.116 -3.092 1.00 0.00 C ATOM 0 H TRP A 18 0.317 -4.873 0.513 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.380 -4.334 -0.424 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.537 -5.430 -1.729 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.668 -6.816 -0.664 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.120 -8.150 -3.000 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.272 -8.645 -4.320 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.226 -4.607 -0.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.884 -7.726 -4.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.562 -4.504 -1.699 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -7.371 -6.055 -3.418 1.00 0.00 H new ATOM 275 N LEU A 19 -1.716 -6.400 2.013 1.00 0.00 N ATOM 276 CA LEU A 19 -2.277 -7.127 3.138 1.00 0.00 C ATOM 277 C LEU A 19 -3.058 -6.125 3.985 1.00 0.00 C ATOM 278 O LEU A 19 -4.114 -6.417 4.544 1.00 0.00 O ATOM 279 CB LEU A 19 -1.127 -7.762 3.936 1.00 0.00 C ATOM 280 CG LEU A 19 -1.441 -9.059 4.678 1.00 0.00 C ATOM 281 CD1 LEU A 19 -0.578 -10.194 4.145 1.00 0.00 C ATOM 282 CD2 LEU A 19 -1.196 -8.881 6.161 1.00 0.00 C ATOM 0 H LEU A 19 -0.699 -6.329 2.026 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.946 -7.925 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.302 -7.954 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.773 -7.031 4.663 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.490 -9.308 4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.812 -11.113 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.777 -10.335 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.474 -9.949 4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.423 -9.811 6.681 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.152 -8.617 6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.837 -8.086 6.543 1.00 0.00 H new ATOM 294 N LEU A 20 -2.519 -4.918 4.012 1.00 0.00 N ATOM 295 CA LEU A 20 -3.124 -3.780 4.691 1.00 0.00 C ATOM 296 C LEU A 20 -4.330 -3.264 3.894 1.00 0.00 C ATOM 297 O LEU A 20 -5.399 -3.019 4.462 1.00 0.00 O ATOM 298 CB LEU A 20 -2.040 -2.691 4.852 1.00 0.00 C ATOM 299 CG LEU A 20 -2.356 -1.498 5.757 1.00 0.00 C ATOM 300 CD1 LEU A 20 -3.498 -0.634 5.228 1.00 0.00 C ATOM 301 CD2 LEU A 20 -2.648 -1.997 7.155 1.00 0.00 C ATOM 0 H LEU A 20 -1.634 -4.696 3.556 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.494 -4.070 5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.138 -3.170 5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.803 -2.306 3.860 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.480 -0.850 5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.674 0.195 5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.233 -0.243 4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.403 -1.237 5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.874 -1.151 7.804 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.503 -2.672 7.129 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.778 -2.528 7.541 1.00 0.00 H new ATOM 313 N LEU A 21 -4.150 -3.105 2.584 1.00 0.00 N ATOM 314 CA LEU A 21 -5.198 -2.591 1.706 1.00 0.00 C ATOM 315 C LEU A 21 -6.387 -3.536 1.696 1.00 0.00 C ATOM 316 O LEU A 21 -7.524 -3.099 1.811 1.00 0.00 O ATOM 317 CB LEU A 21 -4.679 -2.405 0.262 1.00 0.00 C ATOM 318 CG LEU A 21 -5.124 -1.118 -0.461 1.00 0.00 C ATOM 319 CD1 LEU A 21 -6.639 -0.969 -0.457 1.00 0.00 C ATOM 320 CD2 LEU A 21 -4.458 0.100 0.164 1.00 0.00 C ATOM 0 H LEU A 21 -3.278 -3.328 2.104 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.506 -1.619 2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.589 -2.426 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.002 -3.260 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.807 -1.193 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.916 -0.051 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.090 -1.822 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.998 -0.927 0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.783 1.000 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.738 0.169 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.375 0.004 0.083 1.00 0.00 H new ATOM 332 N GLN A 22 -6.114 -4.834 1.587 1.00 0.00 N ATOM 333 CA GLN A 22 -7.169 -5.823 1.405 1.00 0.00 C ATOM 334 C GLN A 22 -7.845 -6.172 2.726 1.00 0.00 C ATOM 335 O GLN A 22 -9.010 -6.556 2.741 1.00 0.00 O ATOM 336 CB GLN A 22 -6.622 -7.080 0.728 1.00 0.00 C ATOM 337 CG GLN A 22 -7.702 -7.991 0.173 1.00 0.00 C ATOM 338 CD GLN A 22 -7.153 -9.010 -0.808 1.00 0.00 C ATOM 339 OE1 GLN A 22 -7.851 -9.433 -1.730 1.00 0.00 O ATOM 340 NE2 GLN A 22 -5.896 -9.395 -0.636 1.00 0.00 N ATOM 0 H GLN A 22 -5.172 -5.223 1.622 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.925 -5.382 0.755 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.955 -6.785 -0.082 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.022 -7.638 1.447 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -8.193 -8.511 0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.463 -7.388 -0.322 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.350 -9.022 0.140 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.475 -10.065 -1.280 1.00 0.00 H new ATOM 349 N ARG A 23 -7.116 -6.053 3.833 1.00 0.00 N ATOM 350 CA ARG A 23 -7.739 -6.169 5.146 1.00 0.00 C ATOM 351 C ARG A 23 -8.846 -5.143 5.266 1.00 0.00 C ATOM 352 O ARG A 23 -9.977 -5.456 5.632 1.00 0.00 O ATOM 353 CB ARG A 23 -6.728 -5.913 6.264 1.00 0.00 C ATOM 354 CG ARG A 23 -7.381 -5.737 7.626 1.00 0.00 C ATOM 355 CD ARG A 23 -6.393 -5.209 8.635 1.00 0.00 C ATOM 356 NE ARG A 23 -5.712 -4.036 8.125 1.00 0.00 N ATOM 357 CZ ARG A 23 -5.936 -2.821 8.567 1.00 0.00 C ATOM 358 NH1 ARG A 23 -6.660 -2.611 9.660 1.00 0.00 N ATOM 359 NH2 ARG A 23 -5.407 -1.818 7.929 1.00 0.00 N ATOM 0 H ARG A 23 -6.111 -5.879 3.848 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.130 -7.182 5.245 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.025 -6.745 6.309 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.150 -5.020 6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.224 -5.051 7.543 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.780 -6.692 7.968 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.911 -4.960 9.561 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.664 -5.983 8.875 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.023 -4.161 7.384 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.053 -3.401 10.171 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.823 -1.659 9.988 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.832 -1.985 7.103 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.568 -0.865 8.254 1.00 0.00 H new ATOM 373 N THR A 24 -8.497 -3.914 4.943 1.00 0.00 N ATOM 374 CA THR A 24 -9.416 -2.812 5.062 1.00 0.00 C ATOM 375 C THR A 24 -10.446 -2.849 3.939 1.00 0.00 C ATOM 376 O THR A 24 -11.641 -3.032 4.179 1.00 0.00 O ATOM 377 CB THR A 24 -8.661 -1.475 5.024 1.00 0.00 C ATOM 378 OG1 THR A 24 -7.411 -1.597 5.717 1.00 0.00 O ATOM 379 CG2 THR A 24 -9.498 -0.401 5.675 1.00 0.00 C ATOM 0 H THR A 24 -7.574 -3.657 4.593 1.00 0.00 H new ATOM 0 HA THR A 24 -9.931 -2.904 6.019 1.00 0.00 H new ATOM 0 HB THR A 24 -8.468 -1.205 3.986 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.743 -1.993 5.119 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.960 0.547 5.647 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.441 -0.299 5.138 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.698 -0.674 6.711 1.00 0.00 H new ATOM 387 N TYR A 25 -9.971 -2.699 2.713 1.00 0.00 N ATOM 388 CA TYR A 25 -10.838 -2.700 1.553 1.00 0.00 C ATOM 389 C TYR A 25 -10.734 -4.051 0.860 1.00 0.00 C ATOM 390 O TYR A 25 -9.948 -4.234 -0.081 1.00 0.00 O ATOM 391 CB TYR A 25 -10.466 -1.569 0.588 1.00 0.00 C ATOM 392 CG TYR A 25 -10.283 -0.214 1.248 1.00 0.00 C ATOM 393 CD1 TYR A 25 -10.905 0.110 2.451 1.00 0.00 C ATOM 394 CD2 TYR A 25 -9.467 0.740 0.663 1.00 0.00 C ATOM 395 CE1 TYR A 25 -10.715 1.348 3.041 1.00 0.00 C ATOM 396 CE2 TYR A 25 -9.277 1.979 1.247 1.00 0.00 C ATOM 397 CZ TYR A 25 -9.901 2.274 2.432 1.00 0.00 C ATOM 398 OH TYR A 25 -9.700 3.501 3.012 1.00 0.00 O ATOM 0 H TYR A 25 -8.982 -2.574 2.498 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.866 -2.532 1.874 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.543 -1.836 0.073 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -11.243 -1.487 -0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.545 -0.615 2.931 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.969 0.512 -0.268 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.203 1.585 3.975 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.640 2.711 0.772 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.769 3.418 3.986 1.00 0.00 H new ATOM 408 N THR A 26 -11.508 -4.997 1.368 1.00 0.00 N ATOM 409 CA THR A 26 -11.427 -6.390 0.948 1.00 0.00 C ATOM 410 C THR A 26 -12.214 -6.644 -0.339 1.00 0.00 C ATOM 411 O THR A 26 -12.443 -5.735 -1.137 1.00 0.00 O ATOM 412 CB THR A 26 -11.980 -7.298 2.061 1.00 0.00 C ATOM 413 OG1 THR A 26 -11.838 -6.639 3.326 1.00 0.00 O ATOM 414 CG2 THR A 26 -11.243 -8.630 2.107 1.00 0.00 C ATOM 0 H THR A 26 -12.212 -4.822 2.085 1.00 0.00 H new ATOM 0 HA THR A 26 -10.378 -6.616 0.756 1.00 0.00 H new ATOM 0 HB THR A 26 -13.031 -7.493 1.849 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.895 -6.420 3.477 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.658 -9.248 2.904 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.359 -9.143 1.152 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.184 -8.454 2.298 1.00 0.00 H new ATOM 422 N LYS A 27 -12.596 -7.903 -0.539 1.00 0.00 N ATOM 423 CA LYS A 27 -13.409 -8.308 -1.672 1.00 0.00 C ATOM 424 C LYS A 27 -14.761 -7.603 -1.621 1.00 0.00 C ATOM 425 O LYS A 27 -15.273 -7.137 -2.635 1.00 0.00 O ATOM 426 CB LYS A 27 -13.613 -9.820 -1.617 1.00 0.00 C ATOM 427 CG LYS A 27 -12.401 -10.580 -1.088 1.00 0.00 C ATOM 428 CD LYS A 27 -11.287 -10.685 -2.119 1.00 0.00 C ATOM 429 CE LYS A 27 -10.184 -11.625 -1.651 1.00 0.00 C ATOM 430 NZ LYS A 27 -9.074 -11.720 -2.639 1.00 0.00 N ATOM 0 H LYS A 27 -12.347 -8.670 0.085 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.907 -8.036 -2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.473 -10.040 -0.985 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.851 -10.183 -2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.022 -10.079 -0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.707 -11.581 -0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.696 -11.043 -3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.869 -9.696 -2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.791 -11.275 -0.697 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.602 -12.617 -1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.668 -12.677 -2.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.440 -11.524 -3.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.337 -11.026 -2.401 1.00 0.00 H new ATOM 444 N THR A 28 -15.325 -7.531 -0.420 1.00 0.00 N ATOM 445 CA THR A 28 -16.628 -6.918 -0.222 1.00 0.00 C ATOM 446 C THR A 28 -16.618 -5.948 0.964 1.00 0.00 C ATOM 447 O THR A 28 -17.430 -5.026 1.004 1.00 0.00 O ATOM 448 CB THR A 28 -17.722 -7.985 0.001 1.00 0.00 C ATOM 449 OG1 THR A 28 -18.984 -7.359 0.264 1.00 0.00 O ATOM 450 CG2 THR A 28 -17.349 -8.904 1.158 1.00 0.00 C ATOM 0 H THR A 28 -14.896 -7.892 0.432 1.00 0.00 H new ATOM 0 HA THR A 28 -16.854 -6.361 -1.131 1.00 0.00 H new ATOM 0 HB THR A 28 -17.805 -8.582 -0.907 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.668 -8.047 0.402 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.133 -9.648 1.299 1.00 0.00 H new ATOM 0 HG22 THR A 28 -16.408 -9.406 0.935 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.240 -8.316 2.069 1.00 0.00 H new ATOM 458 N GLY A 29 -15.725 -6.195 1.936 1.00 0.00 N ATOM 459 CA GLY A 29 -15.586 -5.331 3.086 1.00 0.00 C ATOM 460 C GLY A 29 -15.667 -3.858 2.734 1.00 0.00 C ATOM 461 O GLY A 29 -16.530 -3.131 3.230 1.00 0.00 O ATOM 0 H GLY A 29 -15.092 -6.995 1.934 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.366 -5.569 3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.630 -5.531 3.570 1.00 0.00 H new ATOM 465 N LYS A 30 -14.750 -3.420 1.886 1.00 0.00 N ATOM 466 CA LYS A 30 -14.822 -2.110 1.293 1.00 0.00 C ATOM 467 C LYS A 30 -14.379 -2.203 -0.159 1.00 0.00 C ATOM 468 O LYS A 30 -13.268 -2.657 -0.435 1.00 0.00 O ATOM 469 CB LYS A 30 -13.924 -1.135 2.045 1.00 0.00 C ATOM 470 CG LYS A 30 -14.389 0.294 1.938 1.00 0.00 C ATOM 471 CD LYS A 30 -13.929 1.108 3.125 1.00 0.00 C ATOM 472 CE LYS A 30 -14.696 0.756 4.385 1.00 0.00 C ATOM 473 NZ LYS A 30 -14.219 1.531 5.557 1.00 0.00 N ATOM 0 H LYS A 30 -13.940 -3.967 1.595 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.848 -1.745 1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.886 -1.421 3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.908 -1.211 1.657 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.005 0.737 1.019 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.477 0.322 1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.865 0.940 3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.055 2.169 2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.758 0.949 4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.592 -0.310 4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.010 1.689 6.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.467 1.000 6.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.846 2.448 5.238 1.00 0.00 H new ATOM 487 N PRO A 31 -15.238 -1.811 -1.107 1.00 0.00 N ATOM 488 CA PRO A 31 -14.878 -1.824 -2.517 1.00 0.00 C ATOM 489 C PRO A 31 -13.671 -0.945 -2.783 1.00 0.00 C ATOM 490 O PRO A 31 -13.667 0.232 -2.424 1.00 0.00 O ATOM 491 CB PRO A 31 -16.118 -1.277 -3.233 1.00 0.00 C ATOM 492 CG PRO A 31 -17.236 -1.416 -2.253 1.00 0.00 C ATOM 493 CD PRO A 31 -16.614 -1.332 -0.887 1.00 0.00 C ATOM 0 HA PRO A 31 -14.603 -2.821 -2.861 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.977 -0.236 -3.523 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.324 -1.837 -4.145 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.975 -0.627 -2.393 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.754 -2.366 -2.386 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.628 -0.313 -0.502 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -17.145 -1.953 -0.165 1.00 0.00 H new ATOM 501 N LYS A 32 -12.648 -1.538 -3.400 1.00 0.00 N ATOM 502 CA LYS A 32 -11.385 -0.856 -3.649 1.00 0.00 C ATOM 503 C LYS A 32 -11.628 0.474 -4.359 1.00 0.00 C ATOM 504 O LYS A 32 -12.116 0.499 -5.488 1.00 0.00 O ATOM 505 CB LYS A 32 -10.442 -1.774 -4.446 1.00 0.00 C ATOM 506 CG LYS A 32 -9.094 -1.158 -4.787 1.00 0.00 C ATOM 507 CD LYS A 32 -7.956 -2.133 -4.546 1.00 0.00 C ATOM 508 CE LYS A 32 -7.791 -2.430 -3.062 1.00 0.00 C ATOM 509 NZ LYS A 32 -8.787 -3.413 -2.535 1.00 0.00 N ATOM 0 H LYS A 32 -12.675 -2.500 -3.738 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.902 -0.629 -2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.275 -2.686 -3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.938 -2.066 -5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.090 -0.845 -5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.940 -0.262 -4.185 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.147 -3.060 -5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.029 -1.719 -4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.786 -2.814 -2.886 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.880 -1.499 -2.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.390 -3.899 -1.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.656 -2.913 -2.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.008 -4.112 -3.272 1.00 0.00 H new ATOM 523 N PRO A 33 -11.347 1.577 -3.634 1.00 0.00 N ATOM 524 CA PRO A 33 -11.548 2.968 -4.048 1.00 0.00 C ATOM 525 C PRO A 33 -11.524 3.245 -5.544 1.00 0.00 C ATOM 526 O PRO A 33 -10.724 2.689 -6.293 1.00 0.00 O ATOM 527 CB PRO A 33 -10.358 3.624 -3.380 1.00 0.00 C ATOM 528 CG PRO A 33 -10.267 2.945 -2.068 1.00 0.00 C ATOM 529 CD PRO A 33 -10.807 1.559 -2.263 1.00 0.00 C ATOM 0 HA PRO A 33 -12.542 3.322 -3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.447 3.489 -3.964 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.506 4.698 -3.265 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.235 2.913 -1.719 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.842 3.482 -1.313 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.026 0.807 -2.151 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.581 1.326 -1.532 1.00 0.00 H new ATOM 537 N SER A 34 -12.398 4.157 -5.947 1.00 0.00 N ATOM 538 CA SER A 34 -12.465 4.610 -7.326 1.00 0.00 C ATOM 539 C SER A 34 -11.316 5.575 -7.589 1.00 0.00 C ATOM 540 O SER A 34 -10.954 5.856 -8.732 1.00 0.00 O ATOM 541 CB SER A 34 -13.807 5.298 -7.570 1.00 0.00 C ATOM 542 OG SER A 34 -14.867 4.521 -7.039 1.00 0.00 O ATOM 0 H SER A 34 -13.077 4.601 -5.329 1.00 0.00 H new ATOM 0 HA SER A 34 -12.379 3.761 -8.004 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.805 6.285 -7.108 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.957 5.446 -8.639 1.00 0.00 H new ATOM 0 HG SER A 34 -15.720 4.976 -7.202 1.00 0.00 H new ATOM 548 N THR A 35 -10.761 6.080 -6.499 1.00 0.00 N ATOM 549 CA THR A 35 -9.613 6.970 -6.538 1.00 0.00 C ATOM 550 C THR A 35 -8.752 6.737 -5.306 1.00 0.00 C ATOM 551 O THR A 35 -9.274 6.518 -4.211 1.00 0.00 O ATOM 552 CB THR A 35 -10.040 8.446 -6.582 1.00 0.00 C ATOM 553 OG1 THR A 35 -11.125 8.620 -7.504 1.00 0.00 O ATOM 554 CG2 THR A 35 -8.869 9.315 -7.008 1.00 0.00 C ATOM 0 H THR A 35 -11.097 5.882 -5.556 1.00 0.00 H new ATOM 0 HA THR A 35 -9.050 6.752 -7.445 1.00 0.00 H new ATOM 0 HB THR A 35 -10.366 8.743 -5.585 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.390 9.563 -7.523 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.182 10.359 -7.036 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.052 9.200 -6.295 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.532 9.011 -7.999 1.00 0.00 H new ATOM 562 N TRP A 36 -7.444 6.784 -5.484 1.00 0.00 N ATOM 563 CA TRP A 36 -6.519 6.586 -4.377 1.00 0.00 C ATOM 564 C TRP A 36 -6.606 7.748 -3.390 1.00 0.00 C ATOM 565 O TRP A 36 -6.253 7.617 -2.221 1.00 0.00 O ATOM 566 CB TRP A 36 -5.098 6.379 -4.909 1.00 0.00 C ATOM 567 CG TRP A 36 -4.007 6.689 -3.924 1.00 0.00 C ATOM 568 CD1 TRP A 36 -3.123 7.728 -3.983 1.00 0.00 C ATOM 569 CD2 TRP A 36 -3.699 5.966 -2.726 1.00 0.00 C ATOM 570 NE1 TRP A 36 -2.263 7.680 -2.908 1.00 0.00 N ATOM 571 CE2 TRP A 36 -2.608 6.610 -2.117 1.00 0.00 C ATOM 572 CE3 TRP A 36 -4.243 4.833 -2.115 1.00 0.00 C ATOM 573 CZ2 TRP A 36 -2.052 6.155 -0.925 1.00 0.00 C ATOM 574 CZ3 TRP A 36 -3.691 4.387 -0.934 1.00 0.00 C ATOM 575 CH2 TRP A 36 -2.609 5.047 -0.350 1.00 0.00 C ATOM 0 H TRP A 36 -6.996 6.957 -6.384 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.798 5.685 -3.831 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.993 5.343 -5.232 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.960 7.004 -5.791 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.101 8.478 -4.760 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.498 8.330 -2.729 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.081 4.317 -2.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.211 6.659 -0.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.102 3.512 -0.452 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.202 4.674 0.578 1.00 0.00 H new ATOM 586 N ASP A 37 -7.135 8.863 -3.862 1.00 0.00 N ATOM 587 CA ASP A 37 -7.306 10.058 -3.042 1.00 0.00 C ATOM 588 C ASP A 37 -8.184 9.789 -1.816 1.00 0.00 C ATOM 589 O ASP A 37 -7.803 10.090 -0.679 1.00 0.00 O ATOM 590 CB ASP A 37 -7.928 11.153 -3.903 1.00 0.00 C ATOM 591 CG ASP A 37 -7.024 12.356 -4.066 1.00 0.00 C ATOM 592 OD1 ASP A 37 -6.073 12.279 -4.876 1.00 0.00 O ATOM 593 OD2 ASP A 37 -7.259 13.378 -3.391 1.00 0.00 O ATOM 0 H ASP A 37 -7.459 8.970 -4.823 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.329 10.371 -2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.164 10.746 -4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.870 11.470 -3.455 1.00 0.00 H new ATOM 598 N LEU A 38 -9.352 9.192 -2.041 1.00 0.00 N ATOM 599 CA LEU A 38 -10.265 8.876 -0.947 1.00 0.00 C ATOM 600 C LEU A 38 -9.711 7.728 -0.115 1.00 0.00 C ATOM 601 O LEU A 38 -9.890 7.674 1.108 1.00 0.00 O ATOM 602 CB LEU A 38 -11.658 8.518 -1.481 1.00 0.00 C ATOM 603 CG LEU A 38 -11.676 7.617 -2.718 1.00 0.00 C ATOM 604 CD1 LEU A 38 -12.582 6.415 -2.509 1.00 0.00 C ATOM 605 CD2 LEU A 38 -12.136 8.405 -3.928 1.00 0.00 C ATOM 0 H LEU A 38 -9.687 8.919 -2.965 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.358 9.760 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.218 8.026 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.186 9.442 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.662 7.254 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.574 5.794 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.224 5.833 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.599 6.755 -2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.145 7.755 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.140 8.790 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.454 9.237 -4.101 1.00 0.00 H new ATOM 617 N ALA A 39 -8.998 6.833 -0.788 1.00 0.00 N ATOM 618 CA ALA A 39 -8.438 5.661 -0.149 1.00 0.00 C ATOM 619 C ALA A 39 -7.387 6.069 0.850 1.00 0.00 C ATOM 620 O ALA A 39 -7.453 5.694 2.011 1.00 0.00 O ATOM 621 CB ALA A 39 -7.842 4.738 -1.194 1.00 0.00 C ATOM 0 H ALA A 39 -8.796 6.903 -1.785 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.231 5.130 0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.423 3.858 -0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.620 4.429 -1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.055 5.262 -1.736 1.00 0.00 H new ATOM 627 N SER A 40 -6.449 6.877 0.395 1.00 0.00 N ATOM 628 CA SER A 40 -5.373 7.350 1.243 1.00 0.00 C ATOM 629 C SER A 40 -5.904 8.128 2.439 1.00 0.00 C ATOM 630 O SER A 40 -5.383 7.994 3.547 1.00 0.00 O ATOM 631 CB SER A 40 -4.417 8.222 0.443 1.00 0.00 C ATOM 632 OG SER A 40 -5.106 9.252 -0.241 1.00 0.00 O ATOM 0 H SER A 40 -6.411 7.221 -0.564 1.00 0.00 H new ATOM 0 HA SER A 40 -4.840 6.477 1.618 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.676 8.660 1.112 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.875 7.606 -0.275 1.00 0.00 H new ATOM 0 HG SER A 40 -5.526 8.885 -1.047 1.00 0.00 H new ATOM 638 N LYS A 41 -6.940 8.943 2.219 1.00 0.00 N ATOM 639 CA LYS A 41 -7.514 9.728 3.303 1.00 0.00 C ATOM 640 C LYS A 41 -8.003 8.835 4.447 1.00 0.00 C ATOM 641 O LYS A 41 -7.698 9.094 5.610 1.00 0.00 O ATOM 642 CB LYS A 41 -8.657 10.617 2.814 1.00 0.00 C ATOM 643 CG LYS A 41 -9.161 11.554 3.892 1.00 0.00 C ATOM 644 CD LYS A 41 -9.758 12.824 3.313 1.00 0.00 C ATOM 645 CE LYS A 41 -10.870 12.523 2.331 1.00 0.00 C ATOM 646 NZ LYS A 41 -11.706 13.724 2.076 1.00 0.00 N ATOM 0 H LYS A 41 -7.389 9.072 1.312 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.716 10.369 3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.319 11.201 1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.479 9.990 2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.912 11.043 4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.339 11.812 4.560 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.144 13.446 4.121 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.977 13.398 2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.443 12.169 1.393 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.494 11.719 2.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.459 13.486 1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.132 14.046 2.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.113 14.482 1.681 1.00 0.00 H new ATOM 660 N GLU A 42 -8.753 7.780 4.126 1.00 0.00 N ATOM 661 CA GLU A 42 -9.262 6.885 5.173 1.00 0.00 C ATOM 662 C GLU A 42 -8.180 5.888 5.595 1.00 0.00 C ATOM 663 O GLU A 42 -8.262 5.260 6.657 1.00 0.00 O ATOM 664 CB GLU A 42 -10.522 6.146 4.702 1.00 0.00 C ATOM 665 CG GLU A 42 -11.220 5.374 5.817 1.00 0.00 C ATOM 666 CD GLU A 42 -12.524 4.731 5.388 1.00 0.00 C ATOM 667 OE1 GLU A 42 -13.544 5.445 5.306 1.00 0.00 O ATOM 668 OE2 GLU A 42 -12.546 3.503 5.174 1.00 0.00 O ATOM 0 H GLU A 42 -9.018 7.526 3.174 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.532 7.493 6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.220 6.867 4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.252 5.454 3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.548 4.600 6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.415 6.051 6.649 1.00 0.00 H new ATOM 675 N LEU A 43 -7.158 5.775 4.763 1.00 0.00 N ATOM 676 CA LEU A 43 -6.072 4.832 4.975 1.00 0.00 C ATOM 677 C LEU A 43 -5.087 5.344 6.024 1.00 0.00 C ATOM 678 O LEU A 43 -4.326 4.567 6.597 1.00 0.00 O ATOM 679 CB LEU A 43 -5.333 4.594 3.652 1.00 0.00 C ATOM 680 CG LEU A 43 -5.005 3.141 3.327 1.00 0.00 C ATOM 681 CD1 LEU A 43 -4.210 2.515 4.450 1.00 0.00 C ATOM 682 CD2 LEU A 43 -6.280 2.358 3.069 1.00 0.00 C ATOM 0 H LEU A 43 -7.058 6.337 3.918 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.500 3.897 5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.938 5.000 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.403 5.161 3.670 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.397 3.114 2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.984 1.478 4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.280 3.066 4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.792 2.549 5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.031 1.322 2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.912 2.390 3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.814 2.799 2.227 1.00 0.00 H new ATOM 694 N GLY A 44 -5.115 6.647 6.288 1.00 0.00 N ATOM 695 CA GLY A 44 -4.111 7.257 7.151 1.00 0.00 C ATOM 696 C GLY A 44 -4.160 6.794 8.600 1.00 0.00 C ATOM 697 O GLY A 44 -3.348 7.225 9.415 1.00 0.00 O ATOM 0 H GLY A 44 -5.813 7.294 5.921 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.122 7.040 6.747 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.236 8.339 7.124 1.00 0.00 H new ATOM 701 N GLU A 45 -5.109 5.927 8.924 1.00 0.00 N ATOM 702 CA GLU A 45 -5.180 5.333 10.239 1.00 0.00 C ATOM 703 C GLU A 45 -4.280 4.098 10.300 1.00 0.00 C ATOM 704 O GLU A 45 -3.657 3.813 11.320 1.00 0.00 O ATOM 705 CB GLU A 45 -6.627 4.967 10.591 1.00 0.00 C ATOM 706 CG GLU A 45 -6.798 4.375 11.985 1.00 0.00 C ATOM 707 CD GLU A 45 -6.219 5.249 13.086 1.00 0.00 C ATOM 708 OE1 GLU A 45 -6.748 6.354 13.319 1.00 0.00 O ATOM 709 OE2 GLU A 45 -5.245 4.820 13.739 1.00 0.00 O ATOM 0 H GLU A 45 -5.843 5.622 8.284 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.830 6.060 10.972 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.247 5.860 10.509 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.999 4.253 9.856 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.859 4.217 12.177 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.319 3.397 12.018 1.00 0.00 H new ATOM 716 N SER A 46 -4.193 3.381 9.181 1.00 0.00 N ATOM 717 CA SER A 46 -3.383 2.180 9.108 1.00 0.00 C ATOM 718 C SER A 46 -1.968 2.545 8.702 1.00 0.00 C ATOM 719 O SER A 46 -1.724 3.019 7.592 1.00 0.00 O ATOM 720 CB SER A 46 -3.995 1.193 8.116 1.00 0.00 C ATOM 721 OG SER A 46 -5.331 0.861 8.472 1.00 0.00 O ATOM 0 H SER A 46 -4.677 3.617 8.314 1.00 0.00 H new ATOM 0 HA SER A 46 -3.353 1.703 10.087 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.980 1.624 7.115 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.390 0.287 8.082 1.00 0.00 H new ATOM 0 HG SER A 46 -5.914 0.969 7.692 1.00 0.00 H new ATOM 727 N LEU A 47 -1.033 2.298 9.603 1.00 0.00 N ATOM 728 CA LEU A 47 0.303 2.848 9.483 1.00 0.00 C ATOM 729 C LEU A 47 1.136 2.216 8.381 1.00 0.00 C ATOM 730 O LEU A 47 2.241 2.685 8.137 1.00 0.00 O ATOM 731 CB LEU A 47 1.086 2.819 10.822 1.00 0.00 C ATOM 732 CG LEU A 47 0.843 1.654 11.806 1.00 0.00 C ATOM 733 CD1 LEU A 47 -0.543 1.714 12.427 1.00 0.00 C ATOM 734 CD2 LEU A 47 1.070 0.316 11.137 1.00 0.00 C ATOM 0 H LEU A 47 -1.177 1.717 10.429 1.00 0.00 H new ATOM 0 HA LEU A 47 0.135 3.888 9.202 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.149 2.831 10.582 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.868 3.747 11.351 1.00 0.00 H new ATOM 0 HG LEU A 47 1.569 1.763 12.612 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.671 0.876 13.112 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.657 2.650 12.973 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.296 1.659 11.641 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.891 -0.485 11.855 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.385 0.209 10.296 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.097 0.259 10.778 1.00 0.00 H new ATOM 746 N GLU A 48 0.644 1.201 7.662 1.00 0.00 N ATOM 747 CA GLU A 48 1.500 0.640 6.628 1.00 0.00 C ATOM 748 C GLU A 48 1.438 1.538 5.407 1.00 0.00 C ATOM 749 O GLU A 48 2.363 1.577 4.603 1.00 0.00 O ATOM 750 CB GLU A 48 1.071 -0.784 6.243 1.00 0.00 C ATOM 751 CG GLU A 48 2.234 -1.739 6.027 1.00 0.00 C ATOM 752 CD GLU A 48 3.096 -1.936 7.263 1.00 0.00 C ATOM 753 OE1 GLU A 48 3.955 -1.073 7.540 1.00 0.00 O ATOM 754 OE2 GLU A 48 2.946 -2.974 7.940 1.00 0.00 O ATOM 0 H GLU A 48 -0.278 0.779 7.768 1.00 0.00 H new ATOM 0 HA GLU A 48 2.518 0.583 7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.426 -1.183 7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.475 -0.740 5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.845 -2.706 5.708 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.857 -1.362 5.216 1.00 0.00 H new ATOM 761 N TYR A 49 0.418 2.386 5.356 1.00 0.00 N ATOM 762 CA TYR A 49 0.351 3.375 4.305 1.00 0.00 C ATOM 763 C TYR A 49 1.183 4.568 4.711 1.00 0.00 C ATOM 764 O TYR A 49 1.583 5.395 3.883 1.00 0.00 O ATOM 765 CB TYR A 49 -1.119 3.754 4.066 1.00 0.00 C ATOM 766 CG TYR A 49 -1.414 5.232 3.920 1.00 0.00 C ATOM 767 CD1 TYR A 49 -1.341 5.842 2.680 1.00 0.00 C ATOM 768 CD2 TYR A 49 -1.785 6.007 5.014 1.00 0.00 C ATOM 769 CE1 TYR A 49 -1.628 7.180 2.528 1.00 0.00 C ATOM 770 CE2 TYR A 49 -2.073 7.348 4.869 1.00 0.00 C ATOM 771 CZ TYR A 49 -1.993 7.930 3.625 1.00 0.00 C ATOM 772 OH TYR A 49 -2.287 9.262 3.473 1.00 0.00 O ATOM 0 H TYR A 49 -0.357 2.405 6.019 1.00 0.00 H new ATOM 0 HA TYR A 49 0.751 2.983 3.370 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.461 3.246 3.165 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.712 3.367 4.895 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.054 5.259 1.817 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.848 5.552 5.991 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.567 7.640 1.553 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.360 7.938 5.727 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.527 9.645 4.342 1.00 0.00 H new ATOM 782 N LYS A 50 1.479 4.620 5.999 1.00 0.00 N ATOM 783 CA LYS A 50 2.367 5.609 6.529 1.00 0.00 C ATOM 784 C LYS A 50 3.803 5.109 6.542 1.00 0.00 C ATOM 785 O LYS A 50 4.735 5.880 6.762 1.00 0.00 O ATOM 786 CB LYS A 50 1.878 6.013 7.910 1.00 0.00 C ATOM 787 CG LYS A 50 0.756 7.030 7.847 1.00 0.00 C ATOM 788 CD LYS A 50 0.358 7.518 9.228 1.00 0.00 C ATOM 789 CE LYS A 50 -0.506 6.519 9.983 1.00 0.00 C ATOM 790 NZ LYS A 50 -0.790 6.980 11.368 1.00 0.00 N ATOM 0 H LYS A 50 1.105 3.974 6.695 1.00 0.00 H new ATOM 0 HA LYS A 50 2.365 6.491 5.889 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.534 5.128 8.445 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.709 6.427 8.481 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.068 7.878 7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.110 6.586 7.355 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.257 7.724 9.808 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.183 8.460 9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.444 6.371 9.448 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.002 5.553 10.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.381 6.276 11.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.105 7.097 11.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.293 7.890 11.335 1.00 0.00 H new ATOM 804 N ALA A 51 3.974 3.808 6.291 1.00 0.00 N ATOM 805 CA ALA A 51 5.299 3.212 6.207 1.00 0.00 C ATOM 806 C ALA A 51 5.803 3.355 4.788 1.00 0.00 C ATOM 807 O ALA A 51 6.941 3.035 4.454 1.00 0.00 O ATOM 808 CB ALA A 51 5.252 1.749 6.626 1.00 0.00 C ATOM 0 H ALA A 51 3.207 3.152 6.143 1.00 0.00 H new ATOM 0 HA ALA A 51 5.981 3.724 6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.251 1.319 6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.895 1.676 7.653 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.576 1.204 5.968 1.00 0.00 H new ATOM 814 N LEU A 52 4.903 3.864 3.976 1.00 0.00 N ATOM 815 CA LEU A 52 5.046 3.921 2.544 1.00 0.00 C ATOM 816 C LEU A 52 4.670 5.333 2.098 1.00 0.00 C ATOM 817 O LEU A 52 4.370 5.598 0.935 1.00 0.00 O ATOM 818 CB LEU A 52 4.127 2.827 1.963 1.00 0.00 C ATOM 819 CG LEU A 52 4.041 2.690 0.453 1.00 0.00 C ATOM 820 CD1 LEU A 52 5.409 2.455 -0.128 1.00 0.00 C ATOM 821 CD2 LEU A 52 3.140 1.529 0.088 1.00 0.00 C ATOM 0 H LEU A 52 4.024 4.262 4.308 1.00 0.00 H new ATOM 0 HA LEU A 52 6.060 3.732 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.454 1.869 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.119 3.004 2.339 1.00 0.00 H new ATOM 0 HG LEU A 52 3.630 3.614 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.333 2.359 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.058 3.296 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.829 1.540 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.084 1.439 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.544 0.608 0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.142 1.703 0.489 1.00 0.00 H new ATOM 833 N GLY A 53 4.708 6.245 3.069 1.00 0.00 N ATOM 834 CA GLY A 53 4.318 7.618 2.828 1.00 0.00 C ATOM 835 C GLY A 53 5.378 8.459 2.158 1.00 0.00 C ATOM 836 O GLY A 53 5.185 9.659 1.979 1.00 0.00 O ATOM 0 H GLY A 53 5.005 6.050 4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.421 7.625 2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.052 8.080 3.779 1.00 0.00 H new ATOM 840 N ASP A 54 6.489 7.850 1.792 1.00 0.00 N ATOM 841 CA ASP A 54 7.519 8.563 1.054 1.00 0.00 C ATOM 842 C ASP A 54 7.553 8.071 -0.390 1.00 0.00 C ATOM 843 O ASP A 54 7.771 8.847 -1.324 1.00 0.00 O ATOM 844 CB ASP A 54 8.876 8.414 1.746 1.00 0.00 C ATOM 845 CG ASP A 54 9.730 7.276 1.220 1.00 0.00 C ATOM 846 OD1 ASP A 54 9.431 6.109 1.549 1.00 0.00 O ATOM 847 OD2 ASP A 54 10.722 7.554 0.508 1.00 0.00 O ATOM 0 H ASP A 54 6.703 6.873 1.990 1.00 0.00 H new ATOM 0 HA ASP A 54 7.285 9.627 1.038 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.429 9.347 1.637 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.711 8.264 2.813 1.00 0.00 H new ATOM 852 N GLU A 55 7.309 6.781 -0.567 1.00 0.00 N ATOM 853 CA GLU A 55 7.124 6.193 -1.888 1.00 0.00 C ATOM 854 C GLU A 55 5.668 6.338 -2.317 1.00 0.00 C ATOM 855 O GLU A 55 4.967 5.358 -2.579 1.00 0.00 O ATOM 856 CB GLU A 55 7.569 4.737 -1.861 1.00 0.00 C ATOM 857 CG GLU A 55 9.085 4.583 -1.795 1.00 0.00 C ATOM 858 CD GLU A 55 9.779 5.078 -3.054 1.00 0.00 C ATOM 859 OE1 GLU A 55 9.140 5.091 -4.126 1.00 0.00 O ATOM 860 OE2 GLU A 55 10.964 5.471 -2.978 1.00 0.00 O ATOM 0 H GLU A 55 7.233 6.112 0.199 1.00 0.00 H new ATOM 0 HA GLU A 55 7.736 6.716 -2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.120 4.241 -1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.195 4.231 -2.751 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.465 5.134 -0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.333 3.534 -1.637 1.00 0.00 H new ATOM 867 N ASP A 56 5.237 7.593 -2.382 1.00 0.00 N ATOM 868 CA ASP A 56 3.863 7.961 -2.719 1.00 0.00 C ATOM 869 C ASP A 56 3.416 7.330 -4.026 1.00 0.00 C ATOM 870 O ASP A 56 2.357 6.707 -4.081 1.00 0.00 O ATOM 871 CB ASP A 56 3.740 9.480 -2.839 1.00 0.00 C ATOM 872 CG ASP A 56 2.332 9.932 -3.166 1.00 0.00 C ATOM 873 OD1 ASP A 56 1.948 9.866 -4.347 1.00 0.00 O ATOM 874 OD2 ASP A 56 1.611 10.357 -2.244 1.00 0.00 O ATOM 0 H ASP A 56 5.839 8.396 -2.200 1.00 0.00 H new ATOM 0 HA ASP A 56 3.224 7.592 -1.917 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.056 9.940 -1.903 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.420 9.835 -3.614 1.00 0.00 H new ATOM 879 N ASN A 57 4.246 7.450 -5.062 1.00 0.00 N ATOM 880 CA ASN A 57 3.838 7.061 -6.404 1.00 0.00 C ATOM 881 C ASN A 57 3.817 5.552 -6.505 1.00 0.00 C ATOM 882 O ASN A 57 3.028 4.978 -7.249 1.00 0.00 O ATOM 883 CB ASN A 57 4.763 7.680 -7.468 1.00 0.00 C ATOM 884 CG ASN A 57 6.168 7.931 -6.956 1.00 0.00 C ATOM 885 OD1 ASN A 57 6.807 8.916 -7.316 1.00 0.00 O ATOM 886 ND2 ASN A 57 6.670 7.025 -6.138 1.00 0.00 N ATOM 0 H ASN A 57 5.198 7.811 -4.995 1.00 0.00 H new ATOM 0 HA ASN A 57 2.834 7.441 -6.594 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.810 7.017 -8.332 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.334 8.621 -7.812 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.620 7.130 -5.782 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.108 6.220 -5.862 1.00 0.00 H new ATOM 893 N ILE A 58 4.660 4.914 -5.703 1.00 0.00 N ATOM 894 CA ILE A 58 4.666 3.475 -5.612 1.00 0.00 C ATOM 895 C ILE A 58 3.380 3.037 -4.940 1.00 0.00 C ATOM 896 O ILE A 58 2.616 2.242 -5.477 1.00 0.00 O ATOM 897 CB ILE A 58 5.889 2.966 -4.802 1.00 0.00 C ATOM 898 CG1 ILE A 58 7.112 2.810 -5.704 1.00 0.00 C ATOM 899 CG2 ILE A 58 5.583 1.639 -4.112 1.00 0.00 C ATOM 900 CD1 ILE A 58 7.415 4.004 -6.577 1.00 0.00 C ATOM 0 H ILE A 58 5.346 5.379 -5.109 1.00 0.00 H new ATOM 0 HA ILE A 58 4.738 3.052 -6.614 1.00 0.00 H new ATOM 0 HB ILE A 58 6.106 3.712 -4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.982 2.605 -5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.965 1.939 -6.343 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.459 1.309 -3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.744 1.769 -3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.327 0.890 -4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.299 3.799 -7.180 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.566 4.200 -7.232 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.598 4.876 -5.950 1.00 0.00 H new ATOM 912 N ARG A 59 3.134 3.654 -3.798 1.00 0.00 N ATOM 913 CA ARG A 59 2.010 3.346 -2.933 1.00 0.00 C ATOM 914 C ARG A 59 0.658 3.536 -3.637 1.00 0.00 C ATOM 915 O ARG A 59 -0.164 2.617 -3.655 1.00 0.00 O ATOM 916 CB ARG A 59 2.149 4.240 -1.712 1.00 0.00 C ATOM 917 CG ARG A 59 0.895 4.452 -0.909 1.00 0.00 C ATOM 918 CD ARG A 59 1.173 5.426 0.185 1.00 0.00 C ATOM 919 NE ARG A 59 1.189 6.781 -0.326 1.00 0.00 N ATOM 920 CZ ARG A 59 1.167 7.836 0.452 1.00 0.00 C ATOM 921 NH1 ARG A 59 1.430 7.709 1.746 1.00 0.00 N ATOM 922 NH2 ARG A 59 0.957 9.028 -0.058 1.00 0.00 N ATOM 0 H ARG A 59 3.726 4.402 -3.438 1.00 0.00 H new ATOM 0 HA ARG A 59 2.026 2.294 -2.648 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.909 3.813 -1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.518 5.213 -2.037 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.097 4.825 -1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.552 3.506 -0.491 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.414 5.334 0.962 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.132 5.196 0.648 1.00 0.00 H new ATOM 0 HE ARG A 59 1.219 6.921 -1.336 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.649 6.792 2.134 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.413 8.529 2.353 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.810 9.135 -1.062 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.940 9.847 0.550 1.00 0.00 H new ATOM 936 N ARG A 60 0.425 4.711 -4.226 1.00 0.00 N ATOM 937 CA ARG A 60 -0.773 4.918 -5.049 1.00 0.00 C ATOM 938 C ARG A 60 -0.859 3.891 -6.192 1.00 0.00 C ATOM 939 O ARG A 60 -1.945 3.386 -6.499 1.00 0.00 O ATOM 940 CB ARG A 60 -0.821 6.354 -5.599 1.00 0.00 C ATOM 941 CG ARG A 60 0.431 6.794 -6.341 1.00 0.00 C ATOM 942 CD ARG A 60 0.486 8.298 -6.512 1.00 0.00 C ATOM 943 NE ARG A 60 -0.843 8.889 -6.588 1.00 0.00 N ATOM 944 CZ ARG A 60 -1.123 10.097 -6.132 1.00 0.00 C ATOM 945 NH1 ARG A 60 -0.181 10.827 -5.549 1.00 0.00 N ATOM 946 NH2 ARG A 60 -2.347 10.562 -6.218 1.00 0.00 N ATOM 0 H ARG A 60 1.038 5.523 -4.152 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.641 4.769 -4.407 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.675 6.443 -6.271 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.995 7.040 -4.770 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.313 6.458 -5.796 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.460 6.316 -7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.031 8.738 -5.677 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.042 8.539 -7.418 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.593 8.344 -7.013 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.764 10.456 -5.451 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.402 11.759 -5.199 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.081 9.991 -6.637 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.564 11.494 -5.866 1.00 0.00 H new ATOM 960 N GLN A 61 0.285 3.557 -6.790 1.00 0.00 N ATOM 961 CA GLN A 61 0.306 2.655 -7.939 1.00 0.00 C ATOM 962 C GLN A 61 -0.123 1.238 -7.555 1.00 0.00 C ATOM 963 O GLN A 61 -0.987 0.659 -8.220 1.00 0.00 O ATOM 964 CB GLN A 61 1.700 2.613 -8.583 1.00 0.00 C ATOM 965 CG GLN A 61 1.665 2.036 -9.984 1.00 0.00 C ATOM 966 CD GLN A 61 0.624 2.742 -10.813 1.00 0.00 C ATOM 967 OE1 GLN A 61 0.921 3.691 -11.540 1.00 0.00 O ATOM 968 NE2 GLN A 61 -0.616 2.310 -10.666 1.00 0.00 N ATOM 0 H GLN A 61 1.202 3.895 -6.500 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.410 3.048 -8.661 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.113 3.621 -8.617 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.368 2.016 -7.962 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.644 2.139 -10.452 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.443 0.970 -9.940 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.811 1.519 -10.052 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.378 2.767 -11.167 1.00 0.00 H new ATOM 977 N ILE A 62 0.468 0.672 -6.496 1.00 0.00 N ATOM 978 CA ILE A 62 0.133 -0.699 -6.106 1.00 0.00 C ATOM 979 C ILE A 62 -1.327 -0.775 -5.730 1.00 0.00 C ATOM 980 O ILE A 62 -2.019 -1.711 -6.108 1.00 0.00 O ATOM 981 CB ILE A 62 0.957 -1.258 -4.921 1.00 0.00 C ATOM 982 CG1 ILE A 62 2.124 -0.360 -4.567 1.00 0.00 C ATOM 983 CG2 ILE A 62 1.469 -2.646 -5.265 1.00 0.00 C ATOM 984 CD1 ILE A 62 2.594 -0.516 -3.137 1.00 0.00 C ATOM 0 H ILE A 62 1.164 1.130 -5.907 1.00 0.00 H new ATOM 0 HA ILE A 62 0.373 -1.310 -6.977 1.00 0.00 H new ATOM 0 HB ILE A 62 0.299 -1.304 -4.053 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.954 -0.575 -5.239 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.838 0.678 -4.736 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.049 -3.037 -4.429 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.625 -3.307 -5.462 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.101 -2.591 -6.151 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.432 0.157 -2.954 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.778 -0.273 -2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.912 -1.545 -2.969 1.00 0.00 H new ATOM 996 N PHE A 63 -1.793 0.237 -5.003 1.00 0.00 N ATOM 997 CA PHE A 63 -3.185 0.299 -4.586 1.00 0.00 C ATOM 998 C PHE A 63 -4.132 0.107 -5.767 1.00 0.00 C ATOM 999 O PHE A 63 -5.052 -0.713 -5.712 1.00 0.00 O ATOM 1000 CB PHE A 63 -3.476 1.620 -3.891 1.00 0.00 C ATOM 1001 CG PHE A 63 -4.926 1.991 -3.915 1.00 0.00 C ATOM 1002 CD1 PHE A 63 -5.830 1.280 -3.151 1.00 0.00 C ATOM 1003 CD2 PHE A 63 -5.390 3.030 -4.711 1.00 0.00 C ATOM 1004 CE1 PHE A 63 -7.163 1.589 -3.171 1.00 0.00 C ATOM 1005 CE2 PHE A 63 -6.728 3.344 -4.730 1.00 0.00 C ATOM 1006 CZ PHE A 63 -7.612 2.621 -3.961 1.00 0.00 C ATOM 0 H PHE A 63 -1.224 1.024 -4.692 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.354 -0.517 -3.883 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.140 1.561 -2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.897 2.410 -4.369 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.480 0.469 -2.529 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.697 3.594 -5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.860 1.025 -2.569 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.085 4.156 -5.347 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.664 2.866 -3.978 1.00 0.00 H new ATOM 1016 N GLU A 64 -3.893 0.863 -6.826 1.00 0.00 N ATOM 1017 CA GLU A 64 -4.718 0.787 -8.026 1.00 0.00 C ATOM 1018 C GLU A 64 -4.624 -0.608 -8.653 1.00 0.00 C ATOM 1019 O GLU A 64 -5.625 -1.179 -9.089 1.00 0.00 O ATOM 1020 CB GLU A 64 -4.274 1.870 -9.027 1.00 0.00 C ATOM 1021 CG GLU A 64 -5.320 2.236 -10.073 1.00 0.00 C ATOM 1022 CD GLU A 64 -5.224 1.416 -11.345 1.00 0.00 C ATOM 1023 OE1 GLU A 64 -4.464 1.811 -12.256 1.00 0.00 O ATOM 1024 OE2 GLU A 64 -5.921 0.395 -11.457 1.00 0.00 O ATOM 0 H GLU A 64 -3.132 1.540 -6.881 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.760 0.963 -7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.004 2.769 -8.473 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.374 1.527 -9.537 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.313 2.106 -9.642 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.217 3.292 -10.323 1.00 0.00 H new ATOM 1031 N ASP A 65 -3.416 -1.160 -8.660 1.00 0.00 N ATOM 1032 CA ASP A 65 -3.135 -2.429 -9.338 1.00 0.00 C ATOM 1033 C ASP A 65 -3.510 -3.655 -8.487 1.00 0.00 C ATOM 1034 O ASP A 65 -3.506 -4.783 -8.986 1.00 0.00 O ATOM 1035 CB ASP A 65 -1.653 -2.481 -9.722 1.00 0.00 C ATOM 1036 CG ASP A 65 -1.307 -3.670 -10.599 1.00 0.00 C ATOM 1037 OD1 ASP A 65 -1.679 -3.662 -11.793 1.00 0.00 O ATOM 1038 OD2 ASP A 65 -0.647 -4.609 -10.106 1.00 0.00 O ATOM 0 H ASP A 65 -2.605 -0.747 -8.200 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.757 -2.470 -10.232 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.387 -1.562 -10.244 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.050 -2.518 -8.815 1.00 0.00 H new ATOM 1043 N PHE A 66 -3.850 -3.437 -7.213 1.00 0.00 N ATOM 1044 CA PHE A 66 -4.076 -4.537 -6.280 1.00 0.00 C ATOM 1045 C PHE A 66 -5.213 -5.451 -6.732 1.00 0.00 C ATOM 1046 O PHE A 66 -5.026 -6.655 -6.901 1.00 0.00 O ATOM 1047 CB PHE A 66 -4.422 -3.961 -4.909 1.00 0.00 C ATOM 1048 CG PHE A 66 -3.260 -3.506 -4.067 1.00 0.00 C ATOM 1049 CD1 PHE A 66 -1.994 -4.038 -4.232 1.00 0.00 C ATOM 1050 CD2 PHE A 66 -3.458 -2.561 -3.074 1.00 0.00 C ATOM 1051 CE1 PHE A 66 -0.950 -3.633 -3.420 1.00 0.00 C ATOM 1052 CE2 PHE A 66 -2.419 -2.149 -2.266 1.00 0.00 C ATOM 1053 CZ PHE A 66 -1.162 -2.688 -2.437 1.00 0.00 C ATOM 0 H PHE A 66 -3.974 -2.509 -6.808 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.164 -5.132 -6.239 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.093 -3.114 -5.053 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.975 -4.716 -4.350 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.819 -4.776 -5.001 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.442 -2.140 -2.930 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.034 -4.058 -3.556 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.590 -1.406 -1.501 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.346 -2.372 -1.804 1.00 0.00 H new ATOM 1063 N LYS A 67 -6.366 -4.835 -6.951 1.00 0.00 N ATOM 1064 CA LYS A 67 -7.574 -5.502 -7.459 1.00 0.00 C ATOM 1065 C LYS A 67 -8.177 -6.498 -6.451 1.00 0.00 C ATOM 1066 O LYS A 67 -7.529 -7.460 -6.050 1.00 0.00 O ATOM 1067 CB LYS A 67 -7.307 -6.222 -8.792 1.00 0.00 C ATOM 1068 CG LYS A 67 -6.596 -5.388 -9.845 1.00 0.00 C ATOM 1069 CD LYS A 67 -7.096 -3.956 -9.873 1.00 0.00 C ATOM 1070 CE LYS A 67 -6.920 -3.332 -11.252 1.00 0.00 C ATOM 1071 NZ LYS A 67 -7.269 -1.881 -11.270 1.00 0.00 N ATOM 0 H LYS A 67 -6.499 -3.838 -6.780 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.301 -4.706 -7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.711 -7.112 -8.593 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.259 -6.561 -9.201 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.524 -5.393 -9.648 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.742 -5.842 -10.825 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.149 -3.931 -9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.555 -3.366 -9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.887 -3.458 -11.575 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.546 -3.862 -11.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.529 -1.599 -12.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.071 -1.709 -10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.450 -1.323 -10.955 1.00 0.00 H new ATOM 1085 N PRO A 68 -9.434 -6.263 -6.008 1.00 0.00 N ATOM 1086 CA PRO A 68 -10.161 -7.203 -5.136 1.00 0.00 C ATOM 1087 C PRO A 68 -10.525 -8.521 -5.798 1.00 0.00 C ATOM 1088 O PRO A 68 -10.058 -8.852 -6.887 1.00 0.00 O ATOM 1089 CB PRO A 68 -11.466 -6.482 -4.805 1.00 0.00 C ATOM 1090 CG PRO A 68 -11.603 -5.424 -5.848 1.00 0.00 C ATOM 1091 CD PRO A 68 -10.226 -5.050 -6.270 1.00 0.00 C ATOM 0 HA PRO A 68 -9.530 -7.457 -4.285 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.312 -7.169 -4.827 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.434 -6.048 -3.806 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.180 -5.791 -6.697 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.134 -4.558 -5.452 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.193 -4.771 -7.323 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.852 -4.198 -5.702 1.00 0.00 H new ATOM 1099 N GLU A 69 -11.434 -9.211 -5.116 1.00 0.00 N ATOM 1100 CA GLU A 69 -11.924 -10.536 -5.500 1.00 0.00 C ATOM 1101 C GLU A 69 -10.779 -11.482 -5.882 1.00 0.00 C ATOM 1102 O GLU A 69 -10.195 -12.093 -4.962 1.00 0.00 O ATOM 1103 CB GLU A 69 -12.969 -10.433 -6.620 1.00 0.00 C ATOM 1104 CG GLU A 69 -13.657 -11.755 -6.925 1.00 0.00 C ATOM 1105 CD GLU A 69 -14.872 -11.603 -7.817 1.00 0.00 C ATOM 1106 OE1 GLU A 69 -14.713 -11.558 -9.056 1.00 0.00 O ATOM 1107 OE2 GLU A 69 -16.001 -11.545 -7.283 1.00 0.00 O ATOM 1108 OXT GLU A 69 -10.476 -11.626 -7.082 1.00 0.00 O ATOM 0 H GLU A 69 -11.862 -8.858 -4.260 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.412 -10.969 -4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.721 -9.696 -6.339 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.486 -10.065 -7.525 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.944 -12.426 -7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.958 -12.225 -5.989 1.00 0.00 H new TER 1115 GLU A 69