USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 598 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 63 THR OG1 : rot -170:sc= -0.23 USER MOD Set 1.2: A 65 ASN : amide:sc= -0.302 K(o=-0.53,f=-1.2) USER MOD Set 1.3: A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 18 LYS NZ :NH3+ -169:sc= -0.457 (180deg=-0.567) USER MOD Set 2.2: A 32 LYS NZ :NH3+ -165:sc= -0.186 (180deg=-0.715) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 23 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.21) USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= 0.0402 (180deg=0.00887) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 35 SER OG : rot -156:sc= 2.12 USER MOD Single : A 38 SER OG : rot 130:sc= -1.53 USER MOD Single : A 39 THR OG1 : rot -90:sc= 0.399 USER MOD Single : A 44 MET CE :methyl 156:sc= -19.2! (180deg=-23.9!) USER MOD Single : A 47 HIS :FLIP no HD1:sc= -2.45! C(o=-5.4!,f=-2.4!) USER MOD Single : A 48 THR OG1 : rot -61:sc= 0.658 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.1) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.181 F(o=-1.8,f=-0.18) USER MOD Single : A 57 HIS : no HD1:sc= -0.651 K(o=-0.65,f=-6.9!) USER MOD Single : A 61 TYR OH : rot 89:sc= 0.0154 USER MOD Single : A 69 HIS :FLIP no HD1:sc= -4.66! C(o=-8.3!,f=-4.7!) USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= -0.126 (180deg=-0.144) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.00113 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 8 10.804 6.966 -14.676 1.00 0.00 N ATOM 2 CA GLY A 8 9.368 6.579 -14.776 1.00 0.00 C ATOM 3 C GLY A 8 8.887 6.044 -13.424 1.00 0.00 C ATOM 4 O GLY A 8 8.328 6.772 -12.626 1.00 0.00 O ATOM 0 HA2 GLY A 8 8.768 7.440 -15.073 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.238 5.819 -15.547 1.00 0.00 H new ATOM 8 N VAL A 9 9.099 4.777 -13.165 1.00 0.00 N ATOM 9 CA VAL A 9 8.653 4.185 -11.866 1.00 0.00 C ATOM 10 C VAL A 9 9.869 3.736 -11.045 1.00 0.00 C ATOM 11 O VAL A 9 10.732 3.028 -11.531 1.00 0.00 O ATOM 12 CB VAL A 9 7.782 2.982 -12.251 1.00 0.00 C ATOM 13 CG1 VAL A 9 7.336 2.239 -10.988 1.00 0.00 C ATOM 14 CG2 VAL A 9 6.545 3.467 -13.014 1.00 0.00 C ATOM 0 H VAL A 9 9.563 4.126 -13.799 1.00 0.00 H new ATOM 0 HA VAL A 9 8.104 4.900 -11.253 1.00 0.00 H new ATOM 0 HB VAL A 9 8.362 2.309 -12.882 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.718 1.386 -11.267 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.213 1.889 -10.443 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.760 2.913 -10.354 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.927 2.611 -13.287 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.970 4.143 -12.382 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.857 3.992 -13.917 1.00 0.00 H new ATOM 24 N PHE A 10 9.938 4.146 -9.803 1.00 0.00 N ATOM 25 CA PHE A 10 11.090 3.753 -8.935 1.00 0.00 C ATOM 26 C PHE A 10 10.576 3.032 -7.682 1.00 0.00 C ATOM 27 O PHE A 10 9.465 3.252 -7.238 1.00 0.00 O ATOM 28 CB PHE A 10 11.790 5.085 -8.595 1.00 0.00 C ATOM 29 CG PHE A 10 12.093 5.200 -7.111 1.00 0.00 C ATOM 30 CD1 PHE A 10 11.082 5.581 -6.219 1.00 0.00 C ATOM 31 CD2 PHE A 10 13.386 4.944 -6.632 1.00 0.00 C ATOM 32 CE1 PHE A 10 11.359 5.702 -4.855 1.00 0.00 C ATOM 33 CE2 PHE A 10 13.664 5.070 -5.265 1.00 0.00 C ATOM 34 CZ PHE A 10 12.652 5.448 -4.376 1.00 0.00 C ATOM 0 H PHE A 10 9.242 4.739 -9.351 1.00 0.00 H new ATOM 0 HA PHE A 10 11.779 3.059 -9.417 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.717 5.164 -9.162 1.00 0.00 H new ATOM 0 HB3 PHE A 10 11.157 5.917 -8.902 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.086 5.782 -6.587 1.00 0.00 H new ATOM 0 HD2 PHE A 10 14.167 4.650 -7.317 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.577 5.991 -4.169 1.00 0.00 H new ATOM 0 HE2 PHE A 10 14.660 4.875 -4.897 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.867 5.544 -3.322 1.00 0.00 H new ATOM 44 N VAL A 11 11.388 2.187 -7.104 1.00 0.00 N ATOM 45 CA VAL A 11 10.968 1.460 -5.871 1.00 0.00 C ATOM 46 C VAL A 11 11.797 1.962 -4.689 1.00 0.00 C ATOM 47 O VAL A 11 13.007 1.837 -4.680 1.00 0.00 O ATOM 48 CB VAL A 11 11.227 -0.032 -6.150 1.00 0.00 C ATOM 49 CG1 VAL A 11 12.721 -0.290 -6.386 1.00 0.00 C ATOM 50 CG2 VAL A 11 10.758 -0.860 -4.950 1.00 0.00 C ATOM 0 H VAL A 11 12.328 1.968 -7.435 1.00 0.00 H new ATOM 0 HA VAL A 11 9.919 1.622 -5.623 1.00 0.00 H new ATOM 0 HB VAL A 11 10.676 -0.319 -7.045 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.881 -1.350 -6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 11 13.060 0.292 -7.243 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.285 0.005 -5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.940 -1.917 -5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.308 -0.555 -4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.692 -0.698 -4.791 1.00 0.00 H new ATOM 60 N ASP A 12 11.161 2.558 -3.706 1.00 0.00 N ATOM 61 CA ASP A 12 11.919 3.090 -2.536 1.00 0.00 C ATOM 62 C ASP A 12 12.936 2.071 -2.019 1.00 0.00 C ATOM 63 O ASP A 12 12.589 1.109 -1.360 1.00 0.00 O ATOM 64 CB ASP A 12 10.873 3.394 -1.461 1.00 0.00 C ATOM 65 CG ASP A 12 11.535 4.149 -0.303 1.00 0.00 C ATOM 66 OD1 ASP A 12 12.112 5.195 -0.551 1.00 0.00 O ATOM 67 OD2 ASP A 12 11.451 3.670 0.814 1.00 0.00 O ATOM 0 H ASP A 12 10.151 2.697 -3.667 1.00 0.00 H new ATOM 0 HA ASP A 12 12.487 3.978 -2.812 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.065 3.991 -1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.429 2.467 -1.098 1.00 0.00 H new ATOM 72 N ASP A 13 14.198 2.298 -2.299 1.00 0.00 N ATOM 73 CA ASP A 13 15.255 1.377 -1.816 1.00 0.00 C ATOM 74 C ASP A 13 15.333 1.471 -0.292 1.00 0.00 C ATOM 75 O ASP A 13 15.773 0.557 0.378 1.00 0.00 O ATOM 76 CB ASP A 13 16.550 1.877 -2.463 1.00 0.00 C ATOM 77 CG ASP A 13 17.601 0.763 -2.437 1.00 0.00 C ATOM 78 OD1 ASP A 13 17.628 -0.021 -3.372 1.00 0.00 O ATOM 79 OD2 ASP A 13 18.359 0.713 -1.481 1.00 0.00 O ATOM 0 H ASP A 13 14.535 3.090 -2.846 1.00 0.00 H new ATOM 0 HA ASP A 13 15.065 0.335 -2.073 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.359 2.187 -3.490 1.00 0.00 H new ATOM 0 HB3 ASP A 13 16.920 2.753 -1.930 1.00 0.00 H new ATOM 84 N HIS A 14 14.883 2.578 0.254 1.00 0.00 N ATOM 85 CA HIS A 14 14.894 2.761 1.728 1.00 0.00 C ATOM 86 C HIS A 14 13.920 1.773 2.386 1.00 0.00 C ATOM 87 O HIS A 14 14.103 1.371 3.519 1.00 0.00 O ATOM 88 CB HIS A 14 14.438 4.208 1.940 1.00 0.00 C ATOM 89 CG HIS A 14 14.938 4.711 3.266 1.00 0.00 C ATOM 90 ND1 HIS A 14 14.289 4.423 4.457 1.00 0.00 N ATOM 91 CD2 HIS A 14 16.021 5.482 3.605 1.00 0.00 C ATOM 92 CE1 HIS A 14 14.983 5.013 5.448 1.00 0.00 C ATOM 93 NE2 HIS A 14 16.048 5.671 4.984 1.00 0.00 N ATOM 0 H HIS A 14 14.506 3.367 -0.272 1.00 0.00 H new ATOM 0 HA HIS A 14 15.872 2.576 2.171 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.815 4.839 1.136 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.350 4.265 1.906 1.00 0.00 H new ATOM 0 HD2 HIS A 14 16.743 5.882 2.908 1.00 0.00 H new ATOM 0 HE1 HIS A 14 14.711 4.960 6.492 1.00 0.00 H new ATOM 0 HE2 HIS A 14 16.734 6.199 5.524 1.00 0.00 H new ATOM 101 N LEU A 15 12.905 1.357 1.667 1.00 0.00 N ATOM 102 CA LEU A 15 11.936 0.373 2.221 1.00 0.00 C ATOM 103 C LEU A 15 12.548 -1.024 2.072 1.00 0.00 C ATOM 104 O LEU A 15 12.452 -1.854 2.956 1.00 0.00 O ATOM 105 CB LEU A 15 10.650 0.573 1.389 1.00 0.00 C ATOM 106 CG LEU A 15 10.420 -0.569 0.391 1.00 0.00 C ATOM 107 CD1 LEU A 15 9.746 -1.742 1.101 1.00 0.00 C ATOM 108 CD2 LEU A 15 9.515 -0.077 -0.741 1.00 0.00 C ATOM 0 H LEU A 15 12.709 1.662 0.714 1.00 0.00 H new ATOM 0 HA LEU A 15 11.707 0.500 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.794 0.645 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.712 1.518 0.849 1.00 0.00 H new ATOM 0 HG LEU A 15 11.378 -0.893 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.583 -2.552 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.385 -2.093 1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.788 -1.419 1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.349 -0.886 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.559 0.245 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.991 0.761 -1.250 1.00 0.00 H new ATOM 120 N LEU A 16 13.209 -1.266 0.963 1.00 0.00 N ATOM 121 CA LEU A 16 13.872 -2.582 0.743 1.00 0.00 C ATOM 122 C LEU A 16 14.947 -2.798 1.801 1.00 0.00 C ATOM 123 O LEU A 16 15.085 -3.876 2.337 1.00 0.00 O ATOM 124 CB LEU A 16 14.516 -2.496 -0.639 1.00 0.00 C ATOM 125 CG LEU A 16 13.520 -3.004 -1.666 1.00 0.00 C ATOM 126 CD1 LEU A 16 12.529 -1.891 -1.982 1.00 0.00 C ATOM 127 CD2 LEU A 16 14.256 -3.428 -2.938 1.00 0.00 C ATOM 0 H LEU A 16 13.315 -0.600 0.198 1.00 0.00 H new ATOM 0 HA LEU A 16 13.165 -3.409 0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.799 -1.467 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.429 -3.091 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 16 12.987 -3.868 -1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.808 -2.244 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.005 -1.601 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.064 -1.030 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.536 -3.792 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 16 14.793 -2.573 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.965 -4.222 -2.701 1.00 0.00 H new ATOM 139 N GLU A 17 15.702 -1.767 2.112 1.00 0.00 N ATOM 140 CA GLU A 17 16.770 -1.899 3.156 1.00 0.00 C ATOM 141 C GLU A 17 16.188 -2.568 4.413 1.00 0.00 C ATOM 142 O GLU A 17 16.875 -3.281 5.122 1.00 0.00 O ATOM 143 CB GLU A 17 17.247 -0.460 3.433 1.00 0.00 C ATOM 144 CG GLU A 17 16.708 0.041 4.777 1.00 0.00 C ATOM 145 CD GLU A 17 17.257 1.440 5.062 1.00 0.00 C ATOM 146 OE1 GLU A 17 16.699 2.391 4.541 1.00 0.00 O ATOM 147 OE2 GLU A 17 18.225 1.538 5.798 1.00 0.00 O ATOM 0 H GLU A 17 15.624 -0.842 1.688 1.00 0.00 H new ATOM 0 HA GLU A 17 17.603 -2.525 2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.337 -0.428 3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 17 16.912 0.200 2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.618 0.064 4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 17 16.998 -0.644 5.574 1.00 0.00 H new ATOM 154 N LYS A 18 14.919 -2.355 4.677 1.00 0.00 N ATOM 155 CA LYS A 18 14.276 -2.987 5.868 1.00 0.00 C ATOM 156 C LYS A 18 13.680 -4.354 5.491 1.00 0.00 C ATOM 157 O LYS A 18 13.613 -5.252 6.308 1.00 0.00 O ATOM 158 CB LYS A 18 13.165 -2.019 6.283 1.00 0.00 C ATOM 159 CG LYS A 18 13.717 -1.001 7.285 1.00 0.00 C ATOM 160 CD LYS A 18 12.927 -1.092 8.594 1.00 0.00 C ATOM 161 CE LYS A 18 12.865 0.291 9.254 1.00 0.00 C ATOM 162 NZ LYS A 18 11.588 0.895 8.776 1.00 0.00 N ATOM 0 H LYS A 18 14.302 -1.768 4.115 1.00 0.00 H new ATOM 0 HA LYS A 18 14.989 -3.161 6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.771 -1.505 5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.337 -2.570 6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.773 -1.194 7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.645 0.006 6.874 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.919 -1.458 8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.400 -1.807 9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.880 0.210 10.341 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.721 0.902 8.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.564 1.903 9.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.523 0.798 7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.785 0.406 9.221 1.00 0.00 H new ATOM 176 N VAL A 19 13.239 -4.515 4.261 1.00 0.00 N ATOM 177 CA VAL A 19 12.636 -5.818 3.832 1.00 0.00 C ATOM 178 C VAL A 19 13.700 -6.911 3.677 1.00 0.00 C ATOM 179 O VAL A 19 13.457 -8.057 4.002 1.00 0.00 O ATOM 180 CB VAL A 19 11.969 -5.534 2.491 1.00 0.00 C ATOM 181 CG1 VAL A 19 11.456 -6.845 1.896 1.00 0.00 C ATOM 182 CG2 VAL A 19 10.802 -4.575 2.711 1.00 0.00 C ATOM 0 H VAL A 19 13.272 -3.797 3.537 1.00 0.00 H new ATOM 0 HA VAL A 19 11.930 -6.186 4.576 1.00 0.00 H new ATOM 0 HB VAL A 19 12.686 -5.084 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 19 10.978 -6.647 0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.291 -7.530 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.732 -7.295 2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.318 -4.366 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.081 -5.029 3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.172 -3.645 3.142 1.00 0.00 H new ATOM 192 N LEU A 20 14.880 -6.572 3.213 1.00 0.00 N ATOM 193 CA LEU A 20 15.954 -7.612 3.083 1.00 0.00 C ATOM 194 C LEU A 20 16.216 -8.136 4.478 1.00 0.00 C ATOM 195 O LEU A 20 16.423 -9.314 4.700 1.00 0.00 O ATOM 196 CB LEU A 20 17.205 -6.904 2.544 1.00 0.00 C ATOM 197 CG LEU A 20 16.843 -6.050 1.334 1.00 0.00 C ATOM 198 CD1 LEU A 20 17.937 -5.008 1.100 1.00 0.00 C ATOM 199 CD2 LEU A 20 16.702 -6.940 0.097 1.00 0.00 C ATOM 0 H LEU A 20 15.145 -5.631 2.921 1.00 0.00 H new ATOM 0 HA LEU A 20 15.678 -8.430 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.642 -6.279 3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.958 -7.641 2.266 1.00 0.00 H new ATOM 0 HG LEU A 20 15.896 -5.544 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.679 -4.397 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.027 -4.371 1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.886 -5.512 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.443 -6.326 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.645 -7.452 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 20 15.917 -7.677 0.266 1.00 0.00 H new ATOM 211 N GLU A 21 16.165 -7.238 5.424 1.00 0.00 N ATOM 212 CA GLU A 21 16.364 -7.623 6.842 1.00 0.00 C ATOM 213 C GLU A 21 15.242 -8.580 7.271 1.00 0.00 C ATOM 214 O GLU A 21 15.480 -9.542 7.977 1.00 0.00 O ATOM 215 CB GLU A 21 16.297 -6.311 7.629 1.00 0.00 C ATOM 216 CG GLU A 21 16.262 -6.598 9.136 1.00 0.00 C ATOM 217 CD GLU A 21 14.808 -6.621 9.627 1.00 0.00 C ATOM 218 OE1 GLU A 21 14.152 -5.594 9.535 1.00 0.00 O ATOM 219 OE2 GLU A 21 14.375 -7.665 10.088 1.00 0.00 O ATOM 0 H GLU A 21 15.992 -6.245 5.269 1.00 0.00 H new ATOM 0 HA GLU A 21 17.310 -8.137 7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.161 -5.690 7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.410 -5.749 7.338 1.00 0.00 H new ATOM 0 HG2 GLU A 21 16.741 -7.555 9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.825 -5.835 9.674 1.00 0.00 H new ATOM 226 N LEU A 22 14.020 -8.333 6.839 1.00 0.00 N ATOM 227 CA LEU A 22 12.900 -9.245 7.218 1.00 0.00 C ATOM 228 C LEU A 22 13.000 -10.556 6.432 1.00 0.00 C ATOM 229 O LEU A 22 12.488 -11.576 6.849 1.00 0.00 O ATOM 230 CB LEU A 22 11.632 -8.488 6.851 1.00 0.00 C ATOM 231 CG LEU A 22 11.414 -7.362 7.859 1.00 0.00 C ATOM 232 CD1 LEU A 22 10.910 -6.123 7.129 1.00 0.00 C ATOM 233 CD2 LEU A 22 10.390 -7.811 8.900 1.00 0.00 C ATOM 0 H LEU A 22 13.759 -7.545 6.246 1.00 0.00 H new ATOM 0 HA LEU A 22 12.919 -9.510 8.275 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.716 -8.080 5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.777 -9.164 6.851 1.00 0.00 H new ATOM 0 HG LEU A 22 12.352 -7.123 8.360 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.753 -5.317 7.846 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.647 -5.812 6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.969 -6.353 6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.231 -7.010 9.622 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.448 -8.046 8.405 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.760 -8.697 9.416 1.00 0.00 H new ATOM 245 N ASN A 23 13.679 -10.542 5.309 1.00 0.00 N ATOM 246 CA ASN A 23 13.840 -11.794 4.509 1.00 0.00 C ATOM 247 C ASN A 23 15.011 -12.617 5.070 1.00 0.00 C ATOM 248 O ASN A 23 15.183 -13.773 4.731 1.00 0.00 O ATOM 249 CB ASN A 23 14.147 -11.328 3.083 1.00 0.00 C ATOM 250 CG ASN A 23 12.837 -11.134 2.313 1.00 0.00 C ATOM 251 OD1 ASN A 23 12.170 -12.093 1.975 1.00 0.00 O ATOM 252 ND2 ASN A 23 12.440 -9.928 2.016 1.00 0.00 N ATOM 0 H ASN A 23 14.128 -9.716 4.913 1.00 0.00 H new ATOM 0 HA ASN A 23 12.952 -12.425 4.541 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.708 -10.394 3.108 1.00 0.00 H new ATOM 0 HB3 ASN A 23 14.773 -12.062 2.576 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.571 -9.790 1.501 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.999 -9.123 2.299 1.00 0.00 H new ATOM 259 N ALA A 24 15.810 -12.029 5.934 1.00 0.00 N ATOM 260 CA ALA A 24 16.956 -12.756 6.530 1.00 0.00 C ATOM 261 C ALA A 24 16.494 -13.522 7.768 1.00 0.00 C ATOM 262 O ALA A 24 16.910 -14.639 8.010 1.00 0.00 O ATOM 263 CB ALA A 24 17.951 -11.666 6.923 1.00 0.00 C ATOM 0 H ALA A 24 15.706 -11.064 6.248 1.00 0.00 H new ATOM 0 HA ALA A 24 17.393 -13.481 5.843 1.00 0.00 H new ATOM 0 HB1 ALA A 24 18.832 -12.123 7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 24 18.246 -11.106 6.036 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.486 -10.990 7.640 1.00 0.00 H new ATOM 269 N LYS A 25 15.625 -12.926 8.549 1.00 0.00 N ATOM 270 CA LYS A 25 15.117 -13.608 9.770 1.00 0.00 C ATOM 271 C LYS A 25 13.768 -14.253 9.464 1.00 0.00 C ATOM 272 O LYS A 25 13.418 -15.281 10.010 1.00 0.00 O ATOM 273 CB LYS A 25 14.944 -12.500 10.816 1.00 0.00 C ATOM 274 CG LYS A 25 16.231 -11.681 10.935 1.00 0.00 C ATOM 275 CD LYS A 25 15.966 -10.437 11.783 1.00 0.00 C ATOM 276 CE LYS A 25 17.013 -9.367 11.464 1.00 0.00 C ATOM 277 NZ LYS A 25 16.631 -8.188 12.293 1.00 0.00 N ATOM 0 H LYS A 25 15.247 -11.992 8.388 1.00 0.00 H new ATOM 0 HA LYS A 25 15.792 -14.389 10.119 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.115 -11.850 10.535 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.692 -12.938 11.782 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.017 -12.283 11.390 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.583 -11.391 9.945 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.966 -10.053 11.582 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.002 -10.692 12.842 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.017 -9.713 11.710 1.00 0.00 H new ATOM 0 HE3 LYS A 25 17.012 -9.119 10.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.424 -7.517 12.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.802 -7.722 11.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.400 -8.502 13.257 1.00 0.00 H new ATOM 291 N GLY A 26 13.005 -13.634 8.600 1.00 0.00 N ATOM 292 CA GLY A 26 11.661 -14.175 8.251 1.00 0.00 C ATOM 293 C GLY A 26 10.598 -13.407 9.039 1.00 0.00 C ATOM 294 O GLY A 26 9.485 -13.872 9.206 1.00 0.00 O ATOM 0 H GLY A 26 13.259 -12.771 8.119 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.481 -14.076 7.180 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.610 -15.238 8.486 1.00 0.00 H new ATOM 298 N GLU A 27 10.933 -12.232 9.528 1.00 0.00 N ATOM 299 CA GLU A 27 9.941 -11.434 10.310 1.00 0.00 C ATOM 300 C GLU A 27 8.848 -10.885 9.383 1.00 0.00 C ATOM 301 O GLU A 27 9.116 -10.462 8.274 1.00 0.00 O ATOM 302 CB GLU A 27 10.744 -10.288 10.932 1.00 0.00 C ATOM 303 CG GLU A 27 11.479 -10.787 12.178 1.00 0.00 C ATOM 304 CD GLU A 27 12.025 -9.591 12.962 1.00 0.00 C ATOM 305 OE1 GLU A 27 13.037 -9.047 12.549 1.00 0.00 O ATOM 306 OE2 GLU A 27 11.421 -9.238 13.962 1.00 0.00 O ATOM 0 H GLU A 27 11.849 -11.796 9.417 1.00 0.00 H new ATOM 0 HA GLU A 27 9.440 -12.036 11.069 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.460 -9.898 10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.078 -9.466 11.196 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.802 -11.368 12.805 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.295 -11.450 11.891 1.00 0.00 H new ATOM 313 N LYS A 28 7.618 -10.891 9.834 1.00 0.00 N ATOM 314 CA LYS A 28 6.500 -10.370 8.992 1.00 0.00 C ATOM 315 C LYS A 28 5.964 -9.063 9.592 1.00 0.00 C ATOM 316 O LYS A 28 4.926 -9.037 10.227 1.00 0.00 O ATOM 317 CB LYS A 28 5.436 -11.469 9.028 1.00 0.00 C ATOM 318 CG LYS A 28 5.778 -12.546 7.994 1.00 0.00 C ATOM 319 CD LYS A 28 5.223 -13.895 8.454 1.00 0.00 C ATOM 320 CE LYS A 28 6.248 -14.592 9.355 1.00 0.00 C ATOM 321 NZ LYS A 28 5.547 -15.796 9.884 1.00 0.00 N ATOM 0 H LYS A 28 7.340 -11.236 10.753 1.00 0.00 H new ATOM 0 HA LYS A 28 6.809 -10.145 7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.386 -11.909 10.024 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.454 -11.046 8.817 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.357 -12.280 7.024 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.858 -12.611 7.866 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.288 -13.750 8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.998 -14.521 7.590 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.140 -14.870 8.794 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.571 -13.937 10.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.188 -16.324 10.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.706 -15.501 10.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.257 -16.405 9.092 1.00 0.00 H new ATOM 335 N ARG A 29 6.677 -7.980 9.400 1.00 0.00 N ATOM 336 CA ARG A 29 6.229 -6.668 9.960 1.00 0.00 C ATOM 337 C ARG A 29 5.893 -5.689 8.827 1.00 0.00 C ATOM 338 O ARG A 29 5.576 -6.091 7.722 1.00 0.00 O ATOM 339 CB ARG A 29 7.426 -6.162 10.773 1.00 0.00 C ATOM 340 CG ARG A 29 6.934 -5.513 12.070 1.00 0.00 C ATOM 341 CD ARG A 29 7.843 -4.335 12.429 1.00 0.00 C ATOM 342 NE ARG A 29 6.918 -3.261 12.892 1.00 0.00 N ATOM 343 CZ ARG A 29 6.776 -3.026 14.170 1.00 0.00 C ATOM 344 NH1 ARG A 29 7.478 -2.082 14.743 1.00 0.00 N ATOM 345 NH2 ARG A 29 5.931 -3.733 14.874 1.00 0.00 N ATOM 0 H ARG A 29 7.553 -7.949 8.878 1.00 0.00 H new ATOM 0 HA ARG A 29 5.329 -6.763 10.568 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.098 -6.989 11.001 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.996 -5.440 10.188 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.906 -5.170 11.950 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.933 -6.245 12.878 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.553 -4.608 13.210 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.426 -4.009 11.567 1.00 0.00 H new ATOM 0 HE ARG A 29 6.396 -2.709 12.211 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.136 -1.530 14.192 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.368 -1.898 15.740 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.383 -4.467 14.426 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.820 -3.550 15.871 1.00 0.00 H new ATOM 359 N LEU A 30 5.960 -4.409 9.098 1.00 0.00 N ATOM 360 CA LEU A 30 5.647 -3.397 8.047 1.00 0.00 C ATOM 361 C LEU A 30 6.899 -2.567 7.715 1.00 0.00 C ATOM 362 O LEU A 30 7.891 -2.615 8.420 1.00 0.00 O ATOM 363 CB LEU A 30 4.523 -2.533 8.654 1.00 0.00 C ATOM 364 CG LEU A 30 5.090 -1.257 9.295 1.00 0.00 C ATOM 365 CD1 LEU A 30 4.656 -0.037 8.479 1.00 0.00 C ATOM 366 CD2 LEU A 30 4.559 -1.127 10.725 1.00 0.00 C ATOM 0 H LEU A 30 6.219 -4.022 10.006 1.00 0.00 H new ATOM 0 HA LEU A 30 5.332 -3.847 7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.806 -2.266 7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.981 -3.110 9.403 1.00 0.00 H new ATOM 0 HG LEU A 30 6.178 -1.313 9.313 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.059 0.868 8.935 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.032 -0.128 7.460 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.568 0.020 8.460 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.960 -0.222 11.181 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.471 -1.071 10.705 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.867 -1.995 11.308 1.00 0.00 H new ATOM 378 N ILE A 31 6.854 -1.806 6.650 1.00 0.00 N ATOM 379 CA ILE A 31 8.029 -0.963 6.265 1.00 0.00 C ATOM 380 C ILE A 31 7.587 0.492 6.087 1.00 0.00 C ATOM 381 O ILE A 31 6.426 0.774 5.867 1.00 0.00 O ATOM 382 CB ILE A 31 8.532 -1.535 4.930 1.00 0.00 C ATOM 383 CG1 ILE A 31 8.807 -3.038 5.073 1.00 0.00 C ATOM 384 CG2 ILE A 31 9.821 -0.820 4.504 1.00 0.00 C ATOM 385 CD1 ILE A 31 9.859 -3.289 6.156 1.00 0.00 C ATOM 0 H ILE A 31 6.050 -1.732 6.027 1.00 0.00 H new ATOM 0 HA ILE A 31 8.810 -0.979 7.026 1.00 0.00 H new ATOM 0 HB ILE A 31 7.765 -1.378 4.172 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.884 -3.560 5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.152 -3.443 4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.170 -1.232 3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.624 0.245 4.385 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.586 -0.965 5.266 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.042 -4.360 6.244 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.786 -2.783 5.887 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.499 -2.903 7.110 1.00 0.00 H new ATOM 397 N LYS A 32 8.504 1.411 6.188 1.00 0.00 N ATOM 398 CA LYS A 32 8.150 2.853 6.031 1.00 0.00 C ATOM 399 C LYS A 32 8.940 3.472 4.872 1.00 0.00 C ATOM 400 O LYS A 32 10.145 3.317 4.777 1.00 0.00 O ATOM 401 CB LYS A 32 8.531 3.496 7.365 1.00 0.00 C ATOM 402 CG LYS A 32 7.730 2.836 8.493 1.00 0.00 C ATOM 403 CD LYS A 32 8.600 1.794 9.201 1.00 0.00 C ATOM 404 CE LYS A 32 7.864 1.256 10.433 1.00 0.00 C ATOM 405 NZ LYS A 32 8.214 -0.193 10.496 1.00 0.00 N ATOM 0 H LYS A 32 9.490 1.227 6.374 1.00 0.00 H new ATOM 0 HA LYS A 32 7.096 3.002 5.798 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.600 3.379 7.546 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.327 4.566 7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.397 3.591 9.205 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.835 2.363 8.088 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.832 0.976 8.519 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.549 2.240 9.499 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.178 1.777 11.338 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.787 1.397 10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.562 -0.680 11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.135 -0.611 9.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.189 -0.300 10.841 1.00 0.00 H new ATOM 419 N THR A 33 8.265 4.163 3.986 1.00 0.00 N ATOM 420 CA THR A 33 8.963 4.790 2.818 1.00 0.00 C ATOM 421 C THR A 33 8.778 6.317 2.842 1.00 0.00 C ATOM 422 O THR A 33 7.876 6.824 3.477 1.00 0.00 O ATOM 423 CB THR A 33 8.273 4.175 1.595 1.00 0.00 C ATOM 424 OG1 THR A 33 8.645 2.809 1.481 1.00 0.00 O ATOM 425 CG2 THR A 33 8.687 4.921 0.326 1.00 0.00 C ATOM 0 H THR A 33 7.258 4.321 4.021 1.00 0.00 H new ATOM 0 HA THR A 33 10.038 4.611 2.821 1.00 0.00 H new ATOM 0 HB THR A 33 7.193 4.255 1.718 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.204 2.414 0.700 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.191 4.475 -0.536 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.398 5.969 0.409 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.767 4.851 0.199 1.00 0.00 H new ATOM 433 N TRP A 34 9.629 7.051 2.157 1.00 0.00 N ATOM 434 CA TRP A 34 9.497 8.548 2.144 1.00 0.00 C ATOM 435 C TRP A 34 9.896 9.146 0.782 1.00 0.00 C ATOM 436 O TRP A 34 10.144 10.333 0.677 1.00 0.00 O ATOM 437 CB TRP A 34 10.465 9.042 3.219 1.00 0.00 C ATOM 438 CG TRP A 34 9.973 8.650 4.572 1.00 0.00 C ATOM 439 CD1 TRP A 34 9.003 9.286 5.263 1.00 0.00 C ATOM 440 CD2 TRP A 34 10.411 7.541 5.401 1.00 0.00 C ATOM 441 NE1 TRP A 34 8.831 8.647 6.477 1.00 0.00 N ATOM 442 CE2 TRP A 34 9.676 7.562 6.607 1.00 0.00 C ATOM 443 CE3 TRP A 34 11.371 6.534 5.223 1.00 0.00 C ATOM 444 CZ2 TRP A 34 9.889 6.613 7.608 1.00 0.00 C ATOM 445 CZ3 TRP A 34 11.588 5.574 6.225 1.00 0.00 C ATOM 446 CH2 TRP A 34 10.849 5.616 7.417 1.00 0.00 C ATOM 0 H TRP A 34 10.405 6.680 1.609 1.00 0.00 H new ATOM 0 HA TRP A 34 8.465 8.848 2.326 1.00 0.00 H new ATOM 0 HB2 TRP A 34 11.456 8.621 3.048 1.00 0.00 H new ATOM 0 HB3 TRP A 34 10.564 10.126 3.160 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.452 10.151 4.924 1.00 0.00 H new ATOM 0 HE1 TRP A 34 8.162 8.941 7.189 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.947 6.497 4.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 9.316 6.649 8.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.327 4.800 6.077 1.00 0.00 H new ATOM 0 HH2 TRP A 34 11.022 4.878 8.186 1.00 0.00 H new ATOM 457 N SER A 35 9.967 8.348 -0.257 1.00 0.00 N ATOM 458 CA SER A 35 10.360 8.898 -1.597 1.00 0.00 C ATOM 459 C SER A 35 9.166 9.594 -2.273 1.00 0.00 C ATOM 460 O SER A 35 8.280 10.092 -1.612 1.00 0.00 O ATOM 461 CB SER A 35 10.820 7.686 -2.406 1.00 0.00 C ATOM 462 OG SER A 35 12.041 8.003 -3.064 1.00 0.00 O ATOM 0 H SER A 35 9.772 7.347 -0.238 1.00 0.00 H new ATOM 0 HA SER A 35 11.144 9.651 -1.516 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.958 6.826 -1.750 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.059 7.411 -3.137 1.00 0.00 H new ATOM 0 HG SER A 35 12.151 7.423 -3.846 1.00 0.00 H new ATOM 468 N ARG A 36 9.141 9.641 -3.584 1.00 0.00 N ATOM 469 CA ARG A 36 8.005 10.311 -4.293 1.00 0.00 C ATOM 470 C ARG A 36 7.164 9.269 -5.042 1.00 0.00 C ATOM 471 O ARG A 36 5.995 9.087 -4.759 1.00 0.00 O ATOM 472 CB ARG A 36 8.661 11.288 -5.274 1.00 0.00 C ATOM 473 CG ARG A 36 9.211 12.496 -4.511 1.00 0.00 C ATOM 474 CD ARG A 36 10.707 12.298 -4.239 1.00 0.00 C ATOM 475 NE ARG A 36 10.994 13.129 -3.036 1.00 0.00 N ATOM 476 CZ ARG A 36 10.896 12.608 -1.840 1.00 0.00 C ATOM 477 NH1 ARG A 36 9.830 12.835 -1.115 1.00 0.00 N ATOM 478 NH2 ARG A 36 11.860 11.861 -1.371 1.00 0.00 N ATOM 0 H ARG A 36 9.857 9.245 -4.193 1.00 0.00 H new ATOM 0 HA ARG A 36 7.334 10.825 -3.605 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.466 10.790 -5.814 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.934 11.616 -6.017 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.054 13.406 -5.090 1.00 0.00 H new ATOM 0 HG3 ARG A 36 8.674 12.620 -3.571 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.940 11.249 -4.058 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.308 12.616 -5.091 1.00 0.00 H new ATOM 0 HE ARG A 36 11.267 14.106 -3.145 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.078 13.417 -1.483 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.752 12.430 -0.182 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.690 11.684 -1.937 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.783 11.455 -0.438 1.00 0.00 H new ATOM 492 N ARG A 37 7.757 8.580 -5.989 1.00 0.00 N ATOM 493 CA ARG A 37 6.999 7.537 -6.755 1.00 0.00 C ATOM 494 C ARG A 37 7.336 6.139 -6.208 1.00 0.00 C ATOM 495 O ARG A 37 7.562 5.203 -6.953 1.00 0.00 O ATOM 496 CB ARG A 37 7.453 7.692 -8.217 1.00 0.00 C ATOM 497 CG ARG A 37 8.960 7.432 -8.341 1.00 0.00 C ATOM 498 CD ARG A 37 9.680 8.734 -8.701 1.00 0.00 C ATOM 499 NE ARG A 37 11.041 8.312 -9.138 1.00 0.00 N ATOM 500 CZ ARG A 37 11.360 8.339 -10.406 1.00 0.00 C ATOM 501 NH1 ARG A 37 11.988 9.375 -10.898 1.00 0.00 N ATOM 502 NH2 ARG A 37 11.052 7.331 -11.180 1.00 0.00 N ATOM 0 H ARG A 37 8.732 8.694 -6.265 1.00 0.00 H new ATOM 0 HA ARG A 37 5.919 7.656 -6.666 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.904 6.995 -8.850 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.221 8.696 -8.572 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.349 7.037 -7.402 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.147 6.678 -9.106 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.158 9.268 -9.495 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.731 9.407 -7.845 1.00 0.00 H new ATOM 0 HE ARG A 37 11.724 8.002 -8.447 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.228 10.160 -10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.238 9.398 -11.887 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.563 6.523 -10.795 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.301 7.353 -12.169 1.00 0.00 H new ATOM 516 N SER A 38 7.372 6.009 -4.902 1.00 0.00 N ATOM 517 CA SER A 38 7.696 4.705 -4.251 1.00 0.00 C ATOM 518 C SER A 38 6.841 3.561 -4.819 1.00 0.00 C ATOM 519 O SER A 38 5.641 3.687 -4.983 1.00 0.00 O ATOM 520 CB SER A 38 7.380 4.937 -2.770 1.00 0.00 C ATOM 521 OG SER A 38 8.290 5.897 -2.244 1.00 0.00 O ATOM 0 H SER A 38 7.186 6.770 -4.249 1.00 0.00 H new ATOM 0 HA SER A 38 8.731 4.409 -4.421 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.355 5.288 -2.655 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.460 4.001 -2.217 1.00 0.00 H new ATOM 0 HG SER A 38 7.791 6.595 -1.770 1.00 0.00 H new ATOM 527 N THR A 39 7.465 2.445 -5.110 1.00 0.00 N ATOM 528 CA THR A 39 6.724 1.268 -5.663 1.00 0.00 C ATOM 529 C THR A 39 7.082 0.009 -4.865 1.00 0.00 C ATOM 530 O THR A 39 8.072 -0.030 -4.158 1.00 0.00 O ATOM 531 CB THR A 39 7.193 1.131 -7.119 1.00 0.00 C ATOM 532 OG1 THR A 39 6.714 2.237 -7.873 1.00 0.00 O ATOM 533 CG2 THR A 39 6.655 -0.175 -7.728 1.00 0.00 C ATOM 0 H THR A 39 8.467 2.298 -4.986 1.00 0.00 H new ATOM 0 HA THR A 39 5.643 1.398 -5.602 1.00 0.00 H new ATOM 0 HB THR A 39 8.283 1.111 -7.143 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.834 2.022 -8.246 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.994 -0.262 -8.760 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.024 -1.024 -7.153 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.565 -0.166 -7.703 1.00 0.00 H new ATOM 541 N ILE A 40 6.277 -1.016 -4.966 1.00 0.00 N ATOM 542 CA ILE A 40 6.561 -2.277 -4.207 1.00 0.00 C ATOM 543 C ILE A 40 7.518 -3.197 -4.995 1.00 0.00 C ATOM 544 O ILE A 40 7.804 -2.968 -6.156 1.00 0.00 O ATOM 545 CB ILE A 40 5.191 -2.936 -4.042 1.00 0.00 C ATOM 546 CG1 ILE A 40 4.286 -2.035 -3.194 1.00 0.00 C ATOM 547 CG2 ILE A 40 5.339 -4.281 -3.347 1.00 0.00 C ATOM 548 CD1 ILE A 40 3.517 -1.077 -4.102 1.00 0.00 C ATOM 0 H ILE A 40 5.434 -1.038 -5.540 1.00 0.00 H new ATOM 0 HA ILE A 40 7.050 -2.082 -3.252 1.00 0.00 H new ATOM 0 HB ILE A 40 4.751 -3.083 -5.028 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.589 -2.643 -2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.885 -1.471 -2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.358 -4.742 -3.234 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.979 -4.931 -3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.787 -4.135 -2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.875 -0.438 -3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.221 -0.459 -4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.905 -1.649 -4.800 1.00 0.00 H new ATOM 560 N VAL A 41 8.004 -4.244 -4.361 1.00 0.00 N ATOM 561 CA VAL A 41 8.936 -5.205 -5.049 1.00 0.00 C ATOM 562 C VAL A 41 8.536 -6.647 -4.725 1.00 0.00 C ATOM 563 O VAL A 41 7.628 -6.885 -3.950 1.00 0.00 O ATOM 564 CB VAL A 41 10.362 -4.929 -4.523 1.00 0.00 C ATOM 565 CG1 VAL A 41 11.249 -4.468 -5.685 1.00 0.00 C ATOM 566 CG2 VAL A 41 10.362 -3.837 -3.447 1.00 0.00 C ATOM 0 H VAL A 41 7.794 -4.476 -3.390 1.00 0.00 H new ATOM 0 HA VAL A 41 8.890 -5.072 -6.130 1.00 0.00 H new ATOM 0 HB VAL A 41 10.743 -5.851 -4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.257 -4.272 -5.318 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.285 -5.247 -6.446 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.837 -3.557 -6.118 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.381 -3.669 -3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.964 -2.913 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.740 -4.152 -2.609 1.00 0.00 H new ATOM 576 N PRO A 42 9.226 -7.567 -5.349 1.00 0.00 N ATOM 577 CA PRO A 42 8.936 -9.008 -5.150 1.00 0.00 C ATOM 578 C PRO A 42 9.326 -9.476 -3.744 1.00 0.00 C ATOM 579 O PRO A 42 8.669 -10.318 -3.164 1.00 0.00 O ATOM 580 CB PRO A 42 9.792 -9.683 -6.210 1.00 0.00 C ATOM 581 CG PRO A 42 10.902 -8.730 -6.486 1.00 0.00 C ATOM 582 CD PRO A 42 10.337 -7.357 -6.291 1.00 0.00 C ATOM 0 HA PRO A 42 7.875 -9.241 -5.240 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.175 -10.640 -5.855 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.214 -9.885 -7.112 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.741 -8.904 -5.812 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.278 -8.855 -7.501 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.081 -6.672 -5.886 1.00 0.00 H new ATOM 0 HD3 PRO A 42 9.989 -6.930 -7.232 1.00 0.00 H new ATOM 590 N GLU A 43 10.381 -8.934 -3.188 1.00 0.00 N ATOM 591 CA GLU A 43 10.803 -9.348 -1.811 1.00 0.00 C ATOM 592 C GLU A 43 9.828 -8.806 -0.742 1.00 0.00 C ATOM 593 O GLU A 43 10.007 -9.039 0.439 1.00 0.00 O ATOM 594 CB GLU A 43 12.216 -8.774 -1.615 1.00 0.00 C ATOM 595 CG GLU A 43 12.209 -7.254 -1.812 1.00 0.00 C ATOM 596 CD GLU A 43 13.379 -6.845 -2.708 1.00 0.00 C ATOM 597 OE1 GLU A 43 13.192 -6.809 -3.914 1.00 0.00 O ATOM 598 OE2 GLU A 43 14.442 -6.572 -2.174 1.00 0.00 O ATOM 0 H GLU A 43 10.968 -8.224 -3.626 1.00 0.00 H new ATOM 0 HA GLU A 43 10.796 -10.433 -1.703 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.578 -9.016 -0.616 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.904 -9.235 -2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.267 -6.940 -2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.284 -6.752 -0.847 1.00 0.00 H new ATOM 605 N MET A 44 8.797 -8.096 -1.147 1.00 0.00 N ATOM 606 CA MET A 44 7.807 -7.547 -0.163 1.00 0.00 C ATOM 607 C MET A 44 6.661 -8.537 0.083 1.00 0.00 C ATOM 608 O MET A 44 5.788 -8.296 0.892 1.00 0.00 O ATOM 609 CB MET A 44 7.275 -6.287 -0.822 1.00 0.00 C ATOM 610 CG MET A 44 8.241 -5.151 -0.544 1.00 0.00 C ATOM 611 SD MET A 44 9.863 -5.550 -1.228 1.00 0.00 S ATOM 612 CE MET A 44 10.798 -4.284 -0.346 1.00 0.00 C ATOM 0 H MET A 44 8.599 -7.873 -2.122 1.00 0.00 H new ATOM 0 HA MET A 44 8.264 -7.358 0.808 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.168 -6.438 -1.896 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.285 -6.046 -0.434 1.00 0.00 H new ATOM 0 HG2 MET A 44 7.867 -4.227 -0.985 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.320 -4.983 0.530 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.842 -4.589 -0.271 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.734 -3.340 -0.888 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.384 -4.157 0.654 1.00 0.00 H new ATOM 622 N VAL A 45 6.667 -9.633 -0.628 1.00 0.00 N ATOM 623 CA VAL A 45 5.598 -10.695 -0.516 1.00 0.00 C ATOM 624 C VAL A 45 5.267 -11.146 0.938 1.00 0.00 C ATOM 625 O VAL A 45 4.441 -12.019 1.128 1.00 0.00 O ATOM 626 CB VAL A 45 6.167 -11.870 -1.338 1.00 0.00 C ATOM 627 CG1 VAL A 45 7.576 -12.225 -0.842 1.00 0.00 C ATOM 628 CG2 VAL A 45 5.262 -13.101 -1.209 1.00 0.00 C ATOM 0 H VAL A 45 7.393 -9.852 -1.310 1.00 0.00 H new ATOM 0 HA VAL A 45 4.644 -10.310 -0.876 1.00 0.00 H new ATOM 0 HB VAL A 45 6.213 -11.567 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.970 -13.055 -1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.230 -11.360 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.530 -12.512 0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.677 -13.921 -1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.199 -13.398 -0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.265 -12.860 -1.578 1.00 0.00 H new ATOM 638 N GLY A 46 5.860 -10.576 1.960 1.00 0.00 N ATOM 639 CA GLY A 46 5.518 -11.009 3.350 1.00 0.00 C ATOM 640 C GLY A 46 5.593 -9.817 4.312 1.00 0.00 C ATOM 641 O GLY A 46 5.898 -9.981 5.479 1.00 0.00 O ATOM 0 H GLY A 46 6.559 -9.837 1.892 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.516 -11.438 3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.205 -11.791 3.674 1.00 0.00 H new ATOM 645 N HIS A 47 5.327 -8.616 3.839 1.00 0.00 N ATOM 646 CA HIS A 47 5.399 -7.421 4.744 1.00 0.00 C ATOM 647 C HIS A 47 4.368 -6.360 4.339 1.00 0.00 C ATOM 648 O HIS A 47 3.963 -6.275 3.195 1.00 0.00 O ATOM 649 CB HIS A 47 6.822 -6.842 4.591 1.00 0.00 C ATOM 650 CG HIS A 47 7.839 -7.938 4.387 1.00 0.00 C ATOM 651 ND1 HIS A 47 8.311 -8.549 3.250 1.00 0.00 N flip ATOM 652 CD2 HIS A 47 8.501 -8.544 5.443 1.00 0.00 C flip ATOM 653 CE1 HIS A 47 9.249 -9.517 3.592 1.00 0.00 C flip ATOM 654 NE2 HIS A 47 9.325 -9.473 4.925 1.00 0.00 N flip ATOM 0 H HIS A 47 5.066 -8.415 2.874 1.00 0.00 H new ATOM 0 HA HIS A 47 5.184 -7.709 5.773 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.849 -6.155 3.745 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.080 -6.264 5.479 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.378 -8.313 6.491 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.798 -10.165 2.924 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.934 -10.071 5.483 1.00 0.00 H new ATOM 662 N THR A 48 3.978 -5.526 5.275 1.00 0.00 N ATOM 663 CA THR A 48 3.012 -4.430 4.979 1.00 0.00 C ATOM 664 C THR A 48 3.835 -3.159 4.809 1.00 0.00 C ATOM 665 O THR A 48 4.124 -2.456 5.757 1.00 0.00 O ATOM 666 CB THR A 48 2.083 -4.335 6.206 1.00 0.00 C ATOM 667 OG1 THR A 48 2.164 -5.527 6.980 1.00 0.00 O ATOM 668 CG2 THR A 48 0.640 -4.135 5.744 1.00 0.00 C ATOM 0 H THR A 48 4.295 -5.563 6.244 1.00 0.00 H new ATOM 0 HA THR A 48 2.416 -4.593 4.081 1.00 0.00 H new ATOM 0 HB THR A 48 2.397 -3.489 6.817 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.871 -6.289 6.438 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.014 -4.068 6.613 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.568 -3.215 5.164 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.336 -4.979 5.125 1.00 0.00 H new ATOM 676 N ILE A 49 4.264 -2.893 3.613 1.00 0.00 N ATOM 677 CA ILE A 49 5.135 -1.704 3.386 1.00 0.00 C ATOM 678 C ILE A 49 4.317 -0.443 3.147 1.00 0.00 C ATOM 679 O ILE A 49 3.577 -0.343 2.187 1.00 0.00 O ATOM 680 CB ILE A 49 5.974 -2.072 2.162 1.00 0.00 C ATOM 681 CG1 ILE A 49 6.947 -3.188 2.560 1.00 0.00 C ATOM 682 CG2 ILE A 49 6.762 -0.849 1.680 1.00 0.00 C ATOM 683 CD1 ILE A 49 6.541 -4.497 1.889 1.00 0.00 C ATOM 0 H ILE A 49 4.052 -3.444 2.781 1.00 0.00 H new ATOM 0 HA ILE A 49 5.753 -1.478 4.255 1.00 0.00 H new ATOM 0 HB ILE A 49 5.324 -2.409 1.354 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.962 -2.919 2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.950 -3.310 3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.357 -1.120 0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.069 -0.052 1.413 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.422 -0.504 2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.237 -5.285 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.534 -4.770 2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.562 -4.373 0.806 1.00 0.00 H new ATOM 695 N ALA A 50 4.466 0.533 4.013 1.00 0.00 N ATOM 696 CA ALA A 50 3.717 1.802 3.829 1.00 0.00 C ATOM 697 C ALA A 50 4.414 2.642 2.773 1.00 0.00 C ATOM 698 O ALA A 50 5.227 3.505 3.066 1.00 0.00 O ATOM 699 CB ALA A 50 3.693 2.506 5.183 1.00 0.00 C ATOM 0 H ALA A 50 5.072 0.499 4.833 1.00 0.00 H new ATOM 0 HA ALA A 50 2.696 1.630 3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.150 3.447 5.094 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.197 1.869 5.916 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.714 2.705 5.508 1.00 0.00 H new ATOM 705 N VAL A 51 4.095 2.374 1.538 1.00 0.00 N ATOM 706 CA VAL A 51 4.720 3.130 0.414 1.00 0.00 C ATOM 707 C VAL A 51 4.356 4.611 0.529 1.00 0.00 C ATOM 708 O VAL A 51 3.199 4.966 0.667 1.00 0.00 O ATOM 709 CB VAL A 51 4.143 2.524 -0.877 1.00 0.00 C ATOM 710 CG1 VAL A 51 4.437 1.020 -0.926 1.00 0.00 C ATOM 711 CG2 VAL A 51 2.626 2.751 -0.927 1.00 0.00 C ATOM 0 H VAL A 51 3.424 1.659 1.256 1.00 0.00 H new ATOM 0 HA VAL A 51 5.808 3.059 0.425 1.00 0.00 H new ATOM 0 HB VAL A 51 4.610 3.010 -1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.025 0.598 -1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.515 0.859 -0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.980 0.532 -0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.224 2.320 -1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.158 2.274 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.417 3.821 -0.907 1.00 0.00 H new ATOM 721 N TYR A 52 5.330 5.476 0.473 1.00 0.00 N ATOM 722 CA TYR A 52 5.031 6.928 0.576 1.00 0.00 C ATOM 723 C TYR A 52 4.495 7.424 -0.766 1.00 0.00 C ATOM 724 O TYR A 52 5.230 7.573 -1.726 1.00 0.00 O ATOM 725 CB TYR A 52 6.360 7.607 0.931 1.00 0.00 C ATOM 726 CG TYR A 52 6.092 8.991 1.471 1.00 0.00 C ATOM 727 CD1 TYR A 52 5.576 9.155 2.763 1.00 0.00 C ATOM 728 CD2 TYR A 52 6.366 10.110 0.683 1.00 0.00 C ATOM 729 CE1 TYR A 52 5.335 10.441 3.260 1.00 0.00 C ATOM 730 CE2 TYR A 52 6.128 11.394 1.179 1.00 0.00 C ATOM 731 CZ TYR A 52 5.610 11.562 2.468 1.00 0.00 C ATOM 732 OH TYR A 52 5.376 12.830 2.959 1.00 0.00 O ATOM 0 H TYR A 52 6.316 5.240 0.361 1.00 0.00 H new ATOM 0 HA TYR A 52 4.276 7.149 1.330 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.897 7.014 1.672 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.997 7.667 0.048 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.364 8.290 3.375 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.763 9.983 -0.313 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.936 10.569 4.256 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.344 12.257 0.567 1.00 0.00 H new ATOM 0 HH TYR A 52 5.622 13.494 2.281 1.00 0.00 H new ATOM 742 N ASN A 53 3.213 7.683 -0.834 1.00 0.00 N ATOM 743 CA ASN A 53 2.598 8.177 -2.110 1.00 0.00 C ATOM 744 C ASN A 53 2.956 9.663 -2.347 1.00 0.00 C ATOM 745 O ASN A 53 2.365 10.328 -3.176 1.00 0.00 O ATOM 746 CB ASN A 53 1.087 7.995 -1.883 1.00 0.00 C ATOM 747 CG ASN A 53 0.285 8.678 -2.994 1.00 0.00 C ATOM 748 OD1 ASN A 53 0.143 8.144 -4.076 1.00 0.00 O ATOM 749 ND2 ASN A 53 -0.249 9.850 -2.769 1.00 0.00 N ATOM 0 H ASN A 53 2.560 7.574 -0.058 1.00 0.00 H new ATOM 0 HA ASN A 53 2.953 7.642 -2.991 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.844 6.933 -1.853 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.807 8.413 -0.916 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.785 10.316 -3.502 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.130 10.299 -1.861 1.00 0.00 H new ATOM 756 N GLY A 54 3.915 10.189 -1.622 1.00 0.00 N ATOM 757 CA GLY A 54 4.289 11.620 -1.791 1.00 0.00 C ATOM 758 C GLY A 54 3.793 12.399 -0.571 1.00 0.00 C ATOM 759 O GLY A 54 4.332 13.433 -0.223 1.00 0.00 O ATOM 0 H GLY A 54 4.454 9.683 -0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.370 11.720 -1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.847 12.022 -2.703 1.00 0.00 H new ATOM 763 N LYS A 55 2.763 11.905 0.081 1.00 0.00 N ATOM 764 CA LYS A 55 2.218 12.601 1.282 1.00 0.00 C ATOM 765 C LYS A 55 1.813 11.596 2.372 1.00 0.00 C ATOM 766 O LYS A 55 1.753 11.940 3.538 1.00 0.00 O ATOM 767 CB LYS A 55 0.975 13.363 0.794 1.00 0.00 C ATOM 768 CG LYS A 55 0.263 12.586 -0.323 1.00 0.00 C ATOM 769 CD LYS A 55 -1.229 12.927 -0.316 1.00 0.00 C ATOM 770 CE LYS A 55 -1.989 11.889 0.514 1.00 0.00 C ATOM 771 NZ LYS A 55 -3.417 12.315 0.461 1.00 0.00 N ATOM 0 H LYS A 55 2.278 11.045 -0.173 1.00 0.00 H new ATOM 0 HA LYS A 55 2.966 13.262 1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.290 13.521 1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.267 14.348 0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.699 12.838 -1.290 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.402 11.514 -0.180 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.383 13.923 0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.613 12.944 -1.336 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.862 10.887 0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.624 11.862 1.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.998 11.649 1.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.510 13.269 0.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.740 12.324 -0.528 1.00 0.00 H new ATOM 785 N GLN A 56 1.485 10.377 2.006 1.00 0.00 N ATOM 786 CA GLN A 56 1.028 9.392 3.029 1.00 0.00 C ATOM 787 C GLN A 56 1.721 8.027 2.925 1.00 0.00 C ATOM 788 O GLN A 56 2.108 7.583 1.862 1.00 0.00 O ATOM 789 CB GLN A 56 -0.458 9.237 2.721 1.00 0.00 C ATOM 790 CG GLN A 56 -1.243 10.217 3.582 1.00 0.00 C ATOM 791 CD GLN A 56 -1.195 9.779 5.057 1.00 0.00 C ATOM 792 OE1 GLN A 56 -0.761 8.580 5.376 1.00 0.00 O flip ATOM 793 NE2 GLN A 56 -1.556 10.539 5.933 1.00 0.00 N flip ATOM 0 H GLN A 56 1.515 10.028 1.048 1.00 0.00 H new ATOM 0 HA GLN A 56 1.256 9.741 4.036 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.646 9.428 1.665 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.781 8.215 2.922 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.827 11.219 3.478 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.277 10.265 3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.894 11.471 5.692 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.521 10.245 6.909 1.00 0.00 H new ATOM 802 N HIS A 57 1.823 7.347 4.047 1.00 0.00 N ATOM 803 CA HIS A 57 2.422 5.992 4.091 1.00 0.00 C ATOM 804 C HIS A 57 1.291 4.967 3.947 1.00 0.00 C ATOM 805 O HIS A 57 0.405 4.905 4.779 1.00 0.00 O ATOM 806 CB HIS A 57 3.033 5.894 5.493 1.00 0.00 C ATOM 807 CG HIS A 57 4.299 6.699 5.577 1.00 0.00 C ATOM 808 ND1 HIS A 57 4.292 8.059 5.841 1.00 0.00 N ATOM 809 CD2 HIS A 57 5.618 6.344 5.467 1.00 0.00 C ATOM 810 CE1 HIS A 57 5.571 8.468 5.888 1.00 0.00 C ATOM 811 NE2 HIS A 57 6.420 7.462 5.667 1.00 0.00 N ATOM 0 H HIS A 57 1.504 7.694 4.952 1.00 0.00 H new ATOM 0 HA HIS A 57 3.158 5.812 3.307 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.318 6.253 6.233 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.242 4.851 5.732 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.979 5.348 5.257 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.875 9.486 6.081 1.00 0.00 H new ATOM 0 HE2 HIS A 57 7.439 7.504 5.649 1.00 0.00 H new ATOM 819 N VAL A 58 1.298 4.174 2.909 1.00 0.00 N ATOM 820 CA VAL A 58 0.206 3.164 2.736 1.00 0.00 C ATOM 821 C VAL A 58 0.758 1.763 3.032 1.00 0.00 C ATOM 822 O VAL A 58 1.220 1.084 2.132 1.00 0.00 O ATOM 823 CB VAL A 58 -0.239 3.289 1.270 1.00 0.00 C ATOM 824 CG1 VAL A 58 -1.487 2.435 1.035 1.00 0.00 C ATOM 825 CG2 VAL A 58 -0.563 4.754 0.949 1.00 0.00 C ATOM 0 H VAL A 58 2.007 4.179 2.176 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.632 3.329 3.413 1.00 0.00 H new ATOM 0 HB VAL A 58 0.568 2.944 0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.800 2.526 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.261 1.392 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.291 2.778 1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.878 4.838 -0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.366 5.100 1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.324 5.367 1.110 1.00 0.00 H new ATOM 835 N PRO A 59 0.716 1.382 4.298 1.00 0.00 N ATOM 836 CA PRO A 59 1.247 0.059 4.729 1.00 0.00 C ATOM 837 C PRO A 59 0.411 -1.053 4.123 1.00 0.00 C ATOM 838 O PRO A 59 -0.612 -1.455 4.647 1.00 0.00 O ATOM 839 CB PRO A 59 1.134 0.095 6.251 1.00 0.00 C ATOM 840 CG PRO A 59 0.059 1.096 6.520 1.00 0.00 C ATOM 841 CD PRO A 59 0.167 2.129 5.431 1.00 0.00 C ATOM 0 HA PRO A 59 2.272 -0.128 4.407 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.875 -0.884 6.653 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.076 0.390 6.713 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.923 0.624 6.513 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.187 1.551 7.502 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.804 2.562 5.192 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.820 2.952 5.723 1.00 0.00 H new ATOM 849 N VAL A 60 0.846 -1.521 2.999 1.00 0.00 N ATOM 850 CA VAL A 60 0.104 -2.594 2.282 1.00 0.00 C ATOM 851 C VAL A 60 0.824 -3.937 2.377 1.00 0.00 C ATOM 852 O VAL A 60 1.972 -4.056 2.002 1.00 0.00 O ATOM 853 CB VAL A 60 0.057 -2.150 0.813 1.00 0.00 C ATOM 854 CG1 VAL A 60 -0.904 -0.969 0.658 1.00 0.00 C ATOM 855 CG2 VAL A 60 1.456 -1.741 0.324 1.00 0.00 C ATOM 0 H VAL A 60 1.697 -1.205 2.534 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.886 -2.731 2.717 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.293 -2.988 0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.933 -0.658 -0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.903 -1.269 0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.561 -0.138 1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.400 -1.430 -0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.826 -0.914 0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.135 -2.589 0.414 1.00 0.00 H new ATOM 865 N TYR A 61 0.151 -4.964 2.830 1.00 0.00 N ATOM 866 CA TYR A 61 0.809 -6.299 2.872 1.00 0.00 C ATOM 867 C TYR A 61 0.930 -6.776 1.423 1.00 0.00 C ATOM 868 O TYR A 61 -0.043 -7.154 0.797 1.00 0.00 O ATOM 869 CB TYR A 61 -0.105 -7.215 3.688 1.00 0.00 C ATOM 870 CG TYR A 61 0.732 -8.300 4.320 1.00 0.00 C ATOM 871 CD1 TYR A 61 1.289 -9.308 3.524 1.00 0.00 C ATOM 872 CD2 TYR A 61 0.959 -8.294 5.701 1.00 0.00 C ATOM 873 CE1 TYR A 61 2.071 -10.310 4.107 1.00 0.00 C ATOM 874 CE2 TYR A 61 1.741 -9.296 6.285 1.00 0.00 C ATOM 875 CZ TYR A 61 2.297 -10.305 5.489 1.00 0.00 C ATOM 876 OH TYR A 61 3.069 -11.294 6.066 1.00 0.00 O ATOM 0 H TYR A 61 -0.811 -4.935 3.167 1.00 0.00 H new ATOM 0 HA TYR A 61 1.799 -6.285 3.327 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.624 -6.643 4.457 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.870 -7.654 3.047 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.114 -9.312 2.458 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.531 -7.516 6.316 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.500 -11.087 3.492 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.916 -9.291 7.351 1.00 0.00 H new ATOM 0 HH TYR A 61 4.009 -11.017 6.067 1.00 0.00 H new ATOM 886 N ILE A 62 2.108 -6.691 0.875 1.00 0.00 N ATOM 887 CA ILE A 62 2.317 -7.060 -0.560 1.00 0.00 C ATOM 888 C ILE A 62 1.873 -8.491 -0.878 1.00 0.00 C ATOM 889 O ILE A 62 1.084 -8.704 -1.777 1.00 0.00 O ATOM 890 CB ILE A 62 3.820 -6.889 -0.789 1.00 0.00 C ATOM 891 CG1 ILE A 62 4.126 -5.426 -1.089 1.00 0.00 C ATOM 892 CG2 ILE A 62 4.280 -7.737 -1.979 1.00 0.00 C ATOM 893 CD1 ILE A 62 4.112 -4.602 0.195 1.00 0.00 C ATOM 0 H ILE A 62 2.948 -6.378 1.362 1.00 0.00 H new ATOM 0 HA ILE A 62 1.714 -6.432 -1.216 1.00 0.00 H new ATOM 0 HB ILE A 62 4.345 -7.210 0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.101 -5.344 -1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.390 -5.031 -1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.351 -7.604 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.069 -8.788 -1.780 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.747 -7.424 -2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.332 -3.560 -0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.128 -4.669 0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.865 -4.987 0.883 1.00 0.00 H new ATOM 905 N THR A 63 2.405 -9.468 -0.192 1.00 0.00 N ATOM 906 CA THR A 63 2.048 -10.889 -0.497 1.00 0.00 C ATOM 907 C THR A 63 2.546 -11.216 -1.915 1.00 0.00 C ATOM 908 O THR A 63 3.108 -10.371 -2.589 1.00 0.00 O ATOM 909 CB THR A 63 0.512 -10.986 -0.403 1.00 0.00 C ATOM 910 OG1 THR A 63 0.045 -10.200 0.687 1.00 0.00 O ATOM 911 CG2 THR A 63 0.100 -12.443 -0.182 1.00 0.00 C ATOM 0 H THR A 63 3.073 -9.345 0.569 1.00 0.00 H new ATOM 0 HA THR A 63 2.504 -11.598 0.194 1.00 0.00 H new ATOM 0 HB THR A 63 0.076 -10.618 -1.332 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.904 -10.387 0.842 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.986 -12.508 -0.116 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.450 -13.051 -1.017 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.542 -12.810 0.744 1.00 0.00 H new ATOM 919 N GLU A 64 2.367 -12.419 -2.378 1.00 0.00 N ATOM 920 CA GLU A 64 2.860 -12.759 -3.752 1.00 0.00 C ATOM 921 C GLU A 64 1.814 -12.402 -4.819 1.00 0.00 C ATOM 922 O GLU A 64 1.503 -13.213 -5.675 1.00 0.00 O ATOM 923 CB GLU A 64 3.112 -14.275 -3.751 1.00 0.00 C ATOM 924 CG GLU A 64 1.883 -15.030 -3.223 1.00 0.00 C ATOM 925 CD GLU A 64 2.219 -15.686 -1.881 1.00 0.00 C ATOM 926 OE1 GLU A 64 2.086 -15.020 -0.866 1.00 0.00 O ATOM 927 OE2 GLU A 64 2.604 -16.844 -1.889 1.00 0.00 O ATOM 0 H GLU A 64 1.907 -13.178 -1.876 1.00 0.00 H new ATOM 0 HA GLU A 64 3.763 -12.196 -3.990 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.344 -14.611 -4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.979 -14.504 -3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.045 -14.343 -3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.573 -15.788 -3.942 1.00 0.00 H new ATOM 934 N ASN A 65 1.263 -11.208 -4.788 1.00 0.00 N ATOM 935 CA ASN A 65 0.233 -10.855 -5.821 1.00 0.00 C ATOM 936 C ASN A 65 -0.192 -9.365 -5.803 1.00 0.00 C ATOM 937 O ASN A 65 -0.900 -8.932 -6.694 1.00 0.00 O ATOM 938 CB ASN A 65 -0.959 -11.762 -5.485 1.00 0.00 C ATOM 939 CG ASN A 65 -1.660 -11.262 -4.216 1.00 0.00 C ATOM 940 OD1 ASN A 65 -1.226 -11.547 -3.117 1.00 0.00 O ATOM 941 ND2 ASN A 65 -2.733 -10.525 -4.320 1.00 0.00 N ATOM 0 H ASN A 65 1.476 -10.478 -4.108 1.00 0.00 H new ATOM 0 HA ASN A 65 0.631 -11.003 -6.825 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.662 -11.775 -6.318 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.617 -12.787 -5.341 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.205 -10.190 -3.480 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.099 -10.284 -5.241 1.00 0.00 H new ATOM 948 N MET A 66 0.202 -8.574 -4.826 1.00 0.00 N ATOM 949 CA MET A 66 -0.229 -7.136 -4.822 1.00 0.00 C ATOM 950 C MET A 66 0.886 -6.218 -5.363 1.00 0.00 C ATOM 951 O MET A 66 0.621 -5.127 -5.829 1.00 0.00 O ATOM 952 CB MET A 66 -0.543 -6.824 -3.359 1.00 0.00 C ATOM 953 CG MET A 66 -1.611 -7.793 -2.841 1.00 0.00 C ATOM 954 SD MET A 66 -2.393 -7.096 -1.364 1.00 0.00 S ATOM 955 CE MET A 66 -3.121 -8.633 -0.748 1.00 0.00 C ATOM 0 H MET A 66 0.793 -8.857 -4.044 1.00 0.00 H new ATOM 0 HA MET A 66 -1.090 -6.966 -5.468 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.362 -6.909 -2.757 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.894 -5.796 -3.264 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.360 -7.971 -3.612 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.160 -8.757 -2.606 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.663 -8.434 0.177 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.809 -9.034 -1.493 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.331 -9.359 -0.556 1.00 0.00 H new ATOM 965 N VAL A 67 2.123 -6.649 -5.299 1.00 0.00 N ATOM 966 CA VAL A 67 3.268 -5.802 -5.797 1.00 0.00 C ATOM 967 C VAL A 67 3.244 -5.618 -7.326 1.00 0.00 C ATOM 968 O VAL A 67 2.614 -6.368 -8.049 1.00 0.00 O ATOM 969 CB VAL A 67 4.541 -6.573 -5.406 1.00 0.00 C ATOM 970 CG1 VAL A 67 4.435 -8.035 -5.860 1.00 0.00 C ATOM 971 CG2 VAL A 67 5.751 -5.933 -6.092 1.00 0.00 C ATOM 0 H VAL A 67 2.396 -7.556 -4.922 1.00 0.00 H new ATOM 0 HA VAL A 67 3.212 -4.803 -5.364 1.00 0.00 H new ATOM 0 HB VAL A 67 4.656 -6.536 -4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.342 -8.570 -5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.574 -8.503 -5.383 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.314 -8.072 -6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.655 -6.477 -5.817 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.619 -5.972 -7.173 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.842 -4.894 -5.775 1.00 0.00 H new ATOM 981 N GLY A 68 3.984 -4.640 -7.813 1.00 0.00 N ATOM 982 CA GLY A 68 4.080 -4.411 -9.286 1.00 0.00 C ATOM 983 C GLY A 68 3.651 -2.994 -9.674 1.00 0.00 C ATOM 984 O GLY A 68 3.846 -2.586 -10.804 1.00 0.00 O ATOM 0 H GLY A 68 4.526 -3.990 -7.243 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.105 -4.582 -9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.454 -5.135 -9.807 1.00 0.00 H new ATOM 988 N HIS A 69 3.055 -2.240 -8.781 1.00 0.00 N ATOM 989 CA HIS A 69 2.616 -0.871 -9.162 1.00 0.00 C ATOM 990 C HIS A 69 3.202 0.174 -8.205 1.00 0.00 C ATOM 991 O HIS A 69 4.203 0.796 -8.496 1.00 0.00 O ATOM 992 CB HIS A 69 1.088 -0.916 -9.066 1.00 0.00 C ATOM 993 CG HIS A 69 0.541 -1.865 -10.103 1.00 0.00 C ATOM 994 ND1 HIS A 69 0.777 -3.201 -10.346 1.00 0.00 N flip ATOM 995 CD2 HIS A 69 -0.378 -1.466 -11.060 1.00 0.00 C flip ATOM 996 CE1 HIS A 69 0.018 -3.619 -11.434 1.00 0.00 C flip ATOM 997 NE2 HIS A 69 -0.659 -2.537 -11.826 1.00 0.00 N flip ATOM 0 H HIS A 69 2.858 -2.513 -7.818 1.00 0.00 H new ATOM 0 HA HIS A 69 2.954 -0.587 -10.159 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.786 -1.238 -8.069 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.675 0.081 -9.218 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.794 -0.475 -11.171 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -0.016 -4.607 -11.869 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -1.310 -2.523 -12.611 1.00 0.00 H new ATOM 1005 N LYS A 70 2.571 0.373 -7.076 1.00 0.00 N ATOM 1006 CA LYS A 70 3.062 1.382 -6.076 1.00 0.00 C ATOM 1007 C LYS A 70 2.117 1.438 -4.871 1.00 0.00 C ATOM 1008 O LYS A 70 2.523 1.697 -3.755 1.00 0.00 O ATOM 1009 CB LYS A 70 3.092 2.744 -6.792 1.00 0.00 C ATOM 1010 CG LYS A 70 1.876 2.890 -7.711 1.00 0.00 C ATOM 1011 CD LYS A 70 0.755 3.633 -6.980 1.00 0.00 C ATOM 1012 CE LYS A 70 -0.021 4.499 -7.979 1.00 0.00 C ATOM 1013 NZ LYS A 70 -1.389 4.636 -7.400 1.00 0.00 N ATOM 0 H LYS A 70 1.726 -0.125 -6.797 1.00 0.00 H new ATOM 0 HA LYS A 70 4.052 1.114 -5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.099 3.549 -6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.009 2.836 -7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.155 3.433 -8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.527 1.906 -8.026 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.083 2.920 -6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.173 4.257 -6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.452 5.473 -8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.055 4.030 -8.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.013 5.100 -8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.765 3.694 -7.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.344 5.210 -6.534 1.00 0.00 H new ATOM 1027 N LEU A 71 0.861 1.186 -5.124 1.00 0.00 N ATOM 1028 CA LEU A 71 -0.203 1.201 -4.061 1.00 0.00 C ATOM 1029 C LEU A 71 -1.609 1.023 -4.690 1.00 0.00 C ATOM 1030 O LEU A 71 -2.562 0.725 -3.995 1.00 0.00 O ATOM 1031 CB LEU A 71 -0.097 2.569 -3.351 1.00 0.00 C ATOM 1032 CG LEU A 71 -0.870 3.648 -4.123 1.00 0.00 C ATOM 1033 CD1 LEU A 71 -2.259 3.834 -3.503 1.00 0.00 C ATOM 1034 CD2 LEU A 71 -0.103 4.972 -4.047 1.00 0.00 C ATOM 0 H LEU A 71 0.511 0.962 -6.055 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.062 0.381 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.491 2.489 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.950 2.858 -3.264 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.976 3.340 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.804 4.601 -4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.808 2.893 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.155 4.140 -2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.649 5.741 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.001 5.273 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.886 4.846 -4.488 1.00 0.00 H new ATOM 1046 N GLY A 72 -1.745 1.207 -5.994 1.00 0.00 N ATOM 1047 CA GLY A 72 -3.079 1.056 -6.655 1.00 0.00 C ATOM 1048 C GLY A 72 -3.496 -0.419 -6.692 1.00 0.00 C ATOM 1049 O GLY A 72 -4.658 -0.734 -6.856 1.00 0.00 O ATOM 0 H GLY A 72 -0.982 1.456 -6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.827 1.638 -6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.036 1.453 -7.669 1.00 0.00 H new ATOM 1053 N GLU A 73 -2.563 -1.324 -6.518 1.00 0.00 N ATOM 1054 CA GLU A 73 -2.914 -2.777 -6.517 1.00 0.00 C ATOM 1055 C GLU A 73 -3.373 -3.181 -5.119 1.00 0.00 C ATOM 1056 O GLU A 73 -4.042 -4.180 -4.932 1.00 0.00 O ATOM 1057 CB GLU A 73 -1.624 -3.511 -6.881 1.00 0.00 C ATOM 1058 CG GLU A 73 -1.482 -3.575 -8.401 1.00 0.00 C ATOM 1059 CD GLU A 73 -2.554 -4.499 -8.985 1.00 0.00 C ATOM 1060 OE1 GLU A 73 -2.405 -5.704 -8.857 1.00 0.00 O ATOM 1061 OE2 GLU A 73 -3.505 -3.986 -9.552 1.00 0.00 O ATOM 0 H GLU A 73 -1.574 -1.118 -6.377 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.717 -3.011 -7.216 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.766 -2.997 -6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.637 -4.518 -6.464 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.579 -2.576 -8.827 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.490 -3.940 -8.667 1.00 0.00 H new ATOM 1068 N PHE A 74 -3.020 -2.390 -4.141 1.00 0.00 N ATOM 1069 CA PHE A 74 -3.426 -2.679 -2.740 1.00 0.00 C ATOM 1070 C PHE A 74 -4.662 -1.841 -2.396 1.00 0.00 C ATOM 1071 O PHE A 74 -5.379 -2.135 -1.459 1.00 0.00 O ATOM 1072 CB PHE A 74 -2.233 -2.259 -1.874 1.00 0.00 C ATOM 1073 CG PHE A 74 -0.939 -2.784 -2.465 1.00 0.00 C ATOM 1074 CD1 PHE A 74 -0.264 -2.045 -3.446 1.00 0.00 C ATOM 1075 CD2 PHE A 74 -0.403 -3.994 -2.020 1.00 0.00 C ATOM 1076 CE1 PHE A 74 0.935 -2.521 -3.980 1.00 0.00 C ATOM 1077 CE2 PHE A 74 0.800 -4.461 -2.550 1.00 0.00 C ATOM 1078 CZ PHE A 74 1.467 -3.730 -3.527 1.00 0.00 C ATOM 0 H PHE A 74 -2.460 -1.545 -4.258 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.679 -3.727 -2.582 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.193 -1.172 -1.802 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.359 -2.641 -0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.672 -1.106 -3.789 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -0.920 -4.568 -1.265 1.00 0.00 H new ATOM 0 HE1 PHE A 74 1.450 -1.955 -4.742 1.00 0.00 H new ATOM 0 HE2 PHE A 74 1.215 -5.395 -2.200 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.397 -4.097 -3.936 1.00 0.00 H new ATOM 1088 N ALA A 75 -4.921 -0.802 -3.164 1.00 0.00 N ATOM 1089 CA ALA A 75 -6.113 0.050 -2.905 1.00 0.00 C ATOM 1090 C ALA A 75 -6.855 0.336 -4.223 1.00 0.00 C ATOM 1091 O ALA A 75 -7.127 1.480 -4.540 1.00 0.00 O ATOM 1092 CB ALA A 75 -5.545 1.340 -2.309 1.00 0.00 C ATOM 0 H ALA A 75 -4.351 -0.514 -3.959 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.832 -0.425 -2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.361 2.028 -2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.005 1.110 -1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.864 1.802 -3.024 1.00 0.00 H new ATOM 1098 N PRO A 76 -7.166 -0.718 -4.957 1.00 0.00 N ATOM 1099 CA PRO A 76 -7.885 -0.563 -6.241 1.00 0.00 C ATOM 1100 C PRO A 76 -9.398 -0.483 -5.991 1.00 0.00 C ATOM 1101 O PRO A 76 -10.179 -1.201 -6.587 1.00 0.00 O ATOM 1102 CB PRO A 76 -7.516 -1.831 -7.006 1.00 0.00 C ATOM 1103 CG PRO A 76 -7.175 -2.851 -5.960 1.00 0.00 C ATOM 1104 CD PRO A 76 -6.883 -2.129 -4.668 1.00 0.00 C ATOM 0 HA PRO A 76 -7.621 0.344 -6.784 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.346 -2.169 -7.627 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.671 -1.655 -7.671 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -8.002 -3.548 -5.826 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.310 -3.438 -6.270 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.509 -2.500 -3.857 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.847 -2.270 -4.361 1.00 0.00 H new ATOM 1112 N THR A 77 -9.805 0.390 -5.106 1.00 0.00 N ATOM 1113 CA THR A 77 -11.263 0.536 -4.793 1.00 0.00 C ATOM 1114 C THR A 77 -12.044 0.932 -6.051 1.00 0.00 C ATOM 1115 O THR A 77 -13.050 0.332 -6.380 1.00 0.00 O ATOM 1116 CB THR A 77 -11.344 1.643 -3.734 1.00 0.00 C ATOM 1117 OG1 THR A 77 -10.499 1.314 -2.637 1.00 0.00 O ATOM 1118 CG2 THR A 77 -12.786 1.781 -3.240 1.00 0.00 C ATOM 0 H THR A 77 -9.189 1.012 -4.583 1.00 0.00 H new ATOM 0 HA THR A 77 -11.697 -0.397 -4.434 1.00 0.00 H new ATOM 0 HB THR A 77 -11.021 2.586 -4.175 1.00 0.00 H new ATOM 0 HG1 THR A 77 -10.549 2.022 -1.961 1.00 0.00 H new ATOM 0 HG21 THR A 77 -12.839 2.568 -2.488 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.435 2.035 -4.078 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.112 0.838 -2.802 1.00 0.00 H new ATOM 1126 N ARG A 78 -11.582 1.932 -6.756 1.00 0.00 N ATOM 1127 CA ARG A 78 -12.290 2.367 -8.001 1.00 0.00 C ATOM 1128 C ARG A 78 -11.774 1.569 -9.206 1.00 0.00 C ATOM 1129 O ARG A 78 -10.582 1.463 -9.430 1.00 0.00 O ATOM 1130 CB ARG A 78 -11.984 3.867 -8.150 1.00 0.00 C ATOM 1131 CG ARG A 78 -10.500 4.086 -8.468 1.00 0.00 C ATOM 1132 CD ARG A 78 -10.141 5.559 -8.251 1.00 0.00 C ATOM 1133 NE ARG A 78 -9.441 5.601 -6.936 1.00 0.00 N ATOM 1134 CZ ARG A 78 -10.128 5.737 -5.831 1.00 0.00 C ATOM 1135 NH1 ARG A 78 -10.201 4.746 -4.982 1.00 0.00 N ATOM 1136 NH2 ARG A 78 -10.738 6.866 -5.575 1.00 0.00 N ATOM 0 H ARG A 78 -10.745 2.467 -6.525 1.00 0.00 H new ATOM 0 HA ARG A 78 -13.364 2.192 -7.947 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.598 4.292 -8.944 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.245 4.390 -7.230 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.883 3.453 -7.830 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.292 3.798 -9.499 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.500 5.930 -9.051 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.034 6.185 -8.242 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.425 5.524 -6.897 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.723 3.867 -5.181 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.736 4.851 -4.120 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.678 7.640 -6.237 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.274 6.972 -4.714 1.00 0.00 H new ATOM 1150 N THR A 79 -12.667 0.999 -9.978 1.00 0.00 N ATOM 1151 CA THR A 79 -12.237 0.198 -11.167 1.00 0.00 C ATOM 1152 C THR A 79 -13.241 0.374 -12.315 1.00 0.00 C ATOM 1153 O THR A 79 -12.873 0.738 -13.416 1.00 0.00 O ATOM 1154 CB THR A 79 -12.214 -1.261 -10.687 1.00 0.00 C ATOM 1155 OG1 THR A 79 -11.446 -1.364 -9.492 1.00 0.00 O ATOM 1156 CG2 THR A 79 -11.594 -2.150 -11.768 1.00 0.00 C ATOM 0 H THR A 79 -13.676 1.054 -9.836 1.00 0.00 H new ATOM 0 HA THR A 79 -11.264 0.513 -11.544 1.00 0.00 H new ATOM 0 HB THR A 79 -13.235 -1.587 -10.490 1.00 0.00 H new ATOM 0 HG1 THR A 79 -11.436 -2.296 -9.189 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.579 -3.184 -11.424 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.186 -2.079 -12.681 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.575 -1.820 -11.970 1.00 0.00 H new ATOM 1164 N TYR A 80 -14.504 0.117 -12.064 1.00 0.00 N ATOM 1165 CA TYR A 80 -15.535 0.267 -13.137 1.00 0.00 C ATOM 1166 C TYR A 80 -16.569 1.320 -12.730 1.00 0.00 C ATOM 1167 O TYR A 80 -16.312 2.507 -12.776 1.00 0.00 O ATOM 1168 CB TYR A 80 -16.192 -1.111 -13.257 1.00 0.00 C ATOM 1169 CG TYR A 80 -15.262 -2.057 -13.984 1.00 0.00 C ATOM 1170 CD1 TYR A 80 -15.143 -1.990 -15.377 1.00 0.00 C ATOM 1171 CD2 TYR A 80 -14.522 -3.001 -13.263 1.00 0.00 C ATOM 1172 CE1 TYR A 80 -14.283 -2.866 -16.049 1.00 0.00 C ATOM 1173 CE2 TYR A 80 -13.662 -3.878 -13.935 1.00 0.00 C ATOM 1174 CZ TYR A 80 -13.543 -3.810 -15.328 1.00 0.00 C ATOM 1175 OH TYR A 80 -12.694 -4.674 -15.991 1.00 0.00 O ATOM 0 H TYR A 80 -14.864 -0.190 -11.160 1.00 0.00 H new ATOM 0 HA TYR A 80 -15.101 0.593 -14.082 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -16.423 -1.502 -12.266 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -17.136 -1.029 -13.795 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -15.715 -1.262 -15.933 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -14.614 -3.053 -12.188 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -14.190 -2.814 -17.124 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -13.091 -4.607 -13.379 1.00 0.00 H new ATOM 0 HH TYR A 80 -12.256 -5.264 -15.343 1.00 0.00 H new TER 1185 TYR A 80