USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 782 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 13 HIS : no HD1:sc= 0.538 K(o=-0.56,f=-6!) USER MOD Set 1.2: A 62 GLN : amide:sc= -1.1 K(o=-0.56,f=0.014) USER MOD Set 2.1: A 10 GLN : amide:sc= -1.34 K(o=-1.8,f=0.0033) USER MOD Set 2.2: A 59 HIS : no HD1:sc= -0.456 K(o=-1.8,f=0.0033) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 7 HIS : no HE2:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 152:sc= 0.575 (180deg=-1.35!) USER MOD Single : A 20 LYS NZ :NH3+ 168:sc=-0.00542 (180deg=-0.12) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 153:sc= -0.195 USER MOD Single : A 27 ASN : amide:sc= -3.5! K(o=-3.5!,f=-1.4) USER MOD Single : A 32 SER OG : rot 130:sc= 1.44 USER MOD Single : A 33 TYR OH : rot 147:sc= -0.662 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -10.1! C(o=-10!,f=-14!) USER MOD Single : A 40 GLN : amide:sc= -1.15 K(o=-1.2,f=-3.2!) USER MOD Single : A 44 SER OG : rot 101:sc= 1.25 USER MOD Single : A 64 ASN : amide:sc= -2.47! K(o=-2.5!,f=-0.51) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-13!) USER MOD Single : A 77 LYS NZ :NH3+ -167:sc= 1.3 (180deg=0.987) USER MOD Single : A 79 LYS NZ :NH3+ 159:sc= 1.2 (180deg=0.825) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0317 USER MOD Single : A 90 GLN : amide:sc= -2.68! C(o=-2.7!,f=-6.7!) USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= -0.329 (180deg=-0.997!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.33 USER MOD Single : A 98 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.18) USER MOD Single : A 101 SER OG : rot 52:sc= 0.0409 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.063 -12.866 -4.241 1.00 0.00 N ATOM 2 CA GLY A 1 32.893 -12.509 -3.064 1.00 0.00 C ATOM 3 C GLY A 1 32.558 -11.135 -2.522 1.00 0.00 C ATOM 4 O GLY A 1 32.298 -10.971 -1.328 1.00 0.00 O ATOM 0 H1 GLY A 1 32.327 -13.814 -4.577 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.059 -12.862 -3.972 1.00 0.00 H new ATOM 0 H3 GLY A 1 32.221 -12.173 -5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.747 -13.252 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 1 33.947 -12.541 -3.342 1.00 0.00 H new ATOM 10 N SER A 2 32.536 -10.147 -3.404 1.00 0.00 N ATOM 11 CA SER A 2 32.306 -8.772 -3.000 1.00 0.00 C ATOM 12 C SER A 2 31.212 -8.141 -3.856 1.00 0.00 C ATOM 13 O SER A 2 31.277 -6.960 -4.198 1.00 0.00 O ATOM 14 CB SER A 2 33.606 -7.976 -3.132 1.00 0.00 C ATOM 15 OG SER A 2 34.698 -8.688 -2.566 1.00 0.00 O ATOM 0 H SER A 2 32.675 -10.275 -4.406 1.00 0.00 H new ATOM 0 HA SER A 2 31.979 -8.757 -1.960 1.00 0.00 H new ATOM 0 HB2 SER A 2 33.806 -7.772 -4.184 1.00 0.00 H new ATOM 0 HB3 SER A 2 33.499 -7.012 -2.635 1.00 0.00 H new ATOM 0 HG SER A 2 35.518 -8.161 -2.664 1.00 0.00 H new ATOM 21 N GLU A 3 30.210 -8.931 -4.208 1.00 0.00 N ATOM 22 CA GLU A 3 29.132 -8.446 -5.053 1.00 0.00 C ATOM 23 C GLU A 3 27.776 -8.802 -4.459 1.00 0.00 C ATOM 24 O GLU A 3 27.144 -7.974 -3.802 1.00 0.00 O ATOM 25 CB GLU A 3 29.273 -9.019 -6.462 1.00 0.00 C ATOM 26 CG GLU A 3 28.235 -8.506 -7.443 1.00 0.00 C ATOM 27 CD GLU A 3 28.204 -6.995 -7.514 1.00 0.00 C ATOM 28 OE1 GLU A 3 29.254 -6.386 -7.815 1.00 0.00 O ATOM 29 OE2 GLU A 3 27.129 -6.408 -7.283 1.00 0.00 O ATOM 0 H GLU A 3 30.121 -9.906 -3.923 1.00 0.00 H new ATOM 0 HA GLU A 3 29.197 -7.359 -5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 3 30.266 -8.781 -6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 3 29.203 -10.106 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 3 28.445 -8.909 -8.434 1.00 0.00 H new ATOM 0 HG3 GLU A 3 27.251 -8.873 -7.152 1.00 0.00 H new ATOM 36 N LYS A 4 27.340 -10.033 -4.681 1.00 0.00 N ATOM 37 CA LYS A 4 26.063 -10.494 -4.161 1.00 0.00 C ATOM 38 C LYS A 4 26.199 -10.811 -2.677 1.00 0.00 C ATOM 39 O LYS A 4 26.574 -11.917 -2.296 1.00 0.00 O ATOM 40 CB LYS A 4 25.593 -11.722 -4.943 1.00 0.00 C ATOM 41 CG LYS A 4 24.144 -12.101 -4.696 1.00 0.00 C ATOM 42 CD LYS A 4 23.723 -13.242 -5.604 1.00 0.00 C ATOM 43 CE LYS A 4 22.235 -13.525 -5.502 1.00 0.00 C ATOM 44 NZ LYS A 4 21.811 -14.576 -6.465 1.00 0.00 N ATOM 0 H LYS A 4 27.853 -10.731 -5.219 1.00 0.00 H new ATOM 0 HA LYS A 4 25.316 -9.709 -4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 4 25.731 -11.535 -6.008 1.00 0.00 H new ATOM 0 HB3 LYS A 4 26.228 -12.569 -4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 4 24.012 -12.392 -3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.503 -11.237 -4.869 1.00 0.00 H new ATOM 0 HD2 LYS A 4 23.977 -12.998 -6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 4 24.282 -14.140 -5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 4 21.993 -13.841 -4.487 1.00 0.00 H new ATOM 0 HE3 LYS A 4 21.676 -12.609 -5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 20.789 -14.744 -6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 22.020 -14.263 -7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 22.327 -15.457 -6.267 1.00 0.00 H new ATOM 58 N ARG A 5 25.920 -9.820 -1.849 1.00 0.00 N ATOM 59 CA ARG A 5 26.118 -9.942 -0.416 1.00 0.00 C ATOM 60 C ARG A 5 24.835 -10.356 0.285 1.00 0.00 C ATOM 61 O ARG A 5 24.562 -11.543 0.456 1.00 0.00 O ATOM 62 CB ARG A 5 26.618 -8.614 0.146 1.00 0.00 C ATOM 63 CG ARG A 5 28.016 -8.252 -0.321 1.00 0.00 C ATOM 64 CD ARG A 5 28.419 -6.866 0.153 1.00 0.00 C ATOM 65 NE ARG A 5 27.553 -5.824 -0.392 1.00 0.00 N ATOM 66 CZ ARG A 5 27.816 -4.524 -0.305 1.00 0.00 C ATOM 67 NH1 ARG A 5 28.917 -4.104 0.311 1.00 0.00 N ATOM 68 NH2 ARG A 5 26.982 -3.643 -0.837 1.00 0.00 N ATOM 0 H ARG A 5 25.553 -8.916 -2.147 1.00 0.00 H new ATOM 0 HA ARG A 5 26.862 -10.718 -0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 5 25.929 -7.822 -0.146 1.00 0.00 H new ATOM 0 HB3 ARG A 5 26.607 -8.661 1.235 1.00 0.00 H new ATOM 0 HG2 ARG A 5 28.728 -8.987 0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 5 28.059 -8.293 -1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 5 28.385 -6.832 1.242 1.00 0.00 H new ATOM 0 HD3 ARG A 5 29.450 -6.669 -0.140 1.00 0.00 H new ATOM 0 HE ARG A 5 26.697 -6.110 -0.867 1.00 0.00 H new ATOM 0 HH11 ARG A 5 29.563 -4.780 0.719 1.00 0.00 H new ATOM 0 HH12 ARG A 5 29.116 -3.106 0.376 1.00 0.00 H new ATOM 0 HH21 ARG A 5 26.138 -3.962 -1.313 1.00 0.00 H new ATOM 0 HH22 ARG A 5 27.183 -2.645 -0.770 1.00 0.00 H new ATOM 82 N GLN A 6 24.055 -9.370 0.690 1.00 0.00 N ATOM 83 CA GLN A 6 22.781 -9.619 1.341 1.00 0.00 C ATOM 84 C GLN A 6 21.670 -8.901 0.596 1.00 0.00 C ATOM 85 O GLN A 6 21.830 -7.751 0.186 1.00 0.00 O ATOM 86 CB GLN A 6 22.818 -9.144 2.794 1.00 0.00 C ATOM 87 CG GLN A 6 23.827 -9.885 3.653 1.00 0.00 C ATOM 88 CD GLN A 6 23.898 -9.343 5.067 1.00 0.00 C ATOM 89 OE1 GLN A 6 23.667 -8.156 5.303 1.00 0.00 O ATOM 90 NE2 GLN A 6 24.211 -10.209 6.018 1.00 0.00 N ATOM 0 H GLN A 6 24.284 -8.382 0.578 1.00 0.00 H new ATOM 0 HA GLN A 6 22.590 -10.692 1.328 1.00 0.00 H new ATOM 0 HB2 GLN A 6 23.050 -8.079 2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 6 21.826 -9.262 3.231 1.00 0.00 H new ATOM 0 HG2 GLN A 6 23.564 -10.942 3.686 1.00 0.00 H new ATOM 0 HG3 GLN A 6 24.812 -9.816 3.191 1.00 0.00 H new ATOM 0 HE21 GLN A 6 24.395 -11.184 5.780 1.00 0.00 H new ATOM 0 HE22 GLN A 6 24.268 -9.902 6.989 1.00 0.00 H new ATOM 99 N HIS A 7 20.551 -9.577 0.414 1.00 0.00 N ATOM 100 CA HIS A 7 19.407 -8.978 -0.249 1.00 0.00 C ATOM 101 C HIS A 7 18.276 -8.764 0.739 1.00 0.00 C ATOM 102 O HIS A 7 17.198 -9.341 0.618 1.00 0.00 O ATOM 103 CB HIS A 7 18.943 -9.823 -1.438 1.00 0.00 C ATOM 104 CG HIS A 7 19.784 -9.619 -2.659 1.00 0.00 C ATOM 105 ND1 HIS A 7 19.358 -8.907 -3.755 1.00 0.00 N ATOM 106 CD2 HIS A 7 21.048 -10.011 -2.938 1.00 0.00 C ATOM 107 CE1 HIS A 7 20.322 -8.867 -4.652 1.00 0.00 C ATOM 108 NE2 HIS A 7 21.365 -9.527 -4.184 1.00 0.00 N ATOM 0 H HIS A 7 20.409 -10.541 0.716 1.00 0.00 H new ATOM 0 HA HIS A 7 19.714 -8.008 -0.639 1.00 0.00 H new ATOM 0 HB2 HIS A 7 18.965 -10.877 -1.159 1.00 0.00 H new ATOM 0 HB3 HIS A 7 17.907 -9.576 -1.671 1.00 0.00 H new ATOM 0 HD1 HIS A 7 18.439 -8.477 -3.858 1.00 0.00 H new ATOM 0 HD2 HIS A 7 21.691 -10.597 -2.298 1.00 0.00 H new ATOM 0 HE1 HIS A 7 20.268 -8.375 -5.612 1.00 0.00 H new ATOM 117 N SER A 8 18.554 -7.942 1.735 1.00 0.00 N ATOM 118 CA SER A 8 17.547 -7.514 2.686 1.00 0.00 C ATOM 119 C SER A 8 17.069 -6.119 2.316 1.00 0.00 C ATOM 120 O SER A 8 16.533 -5.387 3.146 1.00 0.00 O ATOM 121 CB SER A 8 18.119 -7.526 4.105 1.00 0.00 C ATOM 122 OG SER A 8 18.568 -8.825 4.459 1.00 0.00 O ATOM 0 H SER A 8 19.482 -7.554 1.906 1.00 0.00 H new ATOM 0 HA SER A 8 16.702 -8.202 2.655 1.00 0.00 H new ATOM 0 HB2 SER A 8 18.946 -6.820 4.174 1.00 0.00 H new ATOM 0 HB3 SER A 8 17.358 -7.195 4.811 1.00 0.00 H new ATOM 0 HG SER A 8 18.931 -8.809 5.369 1.00 0.00 H new ATOM 128 N SER A 9 17.284 -5.763 1.054 1.00 0.00 N ATOM 129 CA SER A 9 16.860 -4.477 0.533 1.00 0.00 C ATOM 130 C SER A 9 15.339 -4.397 0.544 1.00 0.00 C ATOM 131 O SER A 9 14.780 -3.424 1.027 1.00 0.00 O ATOM 132 CB SER A 9 17.399 -4.293 -0.886 1.00 0.00 C ATOM 133 OG SER A 9 18.797 -4.551 -0.934 1.00 0.00 O ATOM 0 H SER A 9 17.754 -6.356 0.371 1.00 0.00 H new ATOM 0 HA SER A 9 17.256 -3.679 1.161 1.00 0.00 H new ATOM 0 HB2 SER A 9 16.877 -4.965 -1.568 1.00 0.00 H new ATOM 0 HB3 SER A 9 17.201 -3.277 -1.226 1.00 0.00 H new ATOM 0 HG SER A 9 19.121 -4.429 -1.851 1.00 0.00 H new ATOM 139 N GLN A 10 14.690 -5.432 0.010 1.00 0.00 N ATOM 140 CA GLN A 10 13.238 -5.606 0.116 1.00 0.00 C ATOM 141 C GLN A 10 12.466 -4.334 -0.230 1.00 0.00 C ATOM 142 O GLN A 10 11.489 -3.982 0.438 1.00 0.00 O ATOM 143 CB GLN A 10 12.860 -6.094 1.515 1.00 0.00 C ATOM 144 CG GLN A 10 13.426 -7.466 1.834 1.00 0.00 C ATOM 145 CD GLN A 10 13.071 -7.947 3.227 1.00 0.00 C ATOM 146 OE1 GLN A 10 13.836 -8.673 3.860 1.00 0.00 O ATOM 147 NE2 GLN A 10 11.900 -7.558 3.706 1.00 0.00 N ATOM 0 H GLN A 10 15.156 -6.176 -0.510 1.00 0.00 H new ATOM 0 HA GLN A 10 12.955 -6.360 -0.619 1.00 0.00 H new ATOM 0 HB2 GLN A 10 13.219 -5.377 2.254 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.774 -6.125 1.603 1.00 0.00 H new ATOM 0 HG2 GLN A 10 13.055 -8.184 1.103 1.00 0.00 H new ATOM 0 HG3 GLN A 10 14.511 -7.438 1.731 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.295 -6.955 3.148 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.602 -7.861 4.633 1.00 0.00 H new ATOM 156 N ASP A 11 12.926 -3.648 -1.262 1.00 0.00 N ATOM 157 CA ASP A 11 12.235 -2.488 -1.795 1.00 0.00 C ATOM 158 C ASP A 11 10.962 -2.946 -2.504 1.00 0.00 C ATOM 159 O ASP A 11 11.017 -3.528 -3.590 1.00 0.00 O ATOM 160 CB ASP A 11 13.156 -1.720 -2.754 1.00 0.00 C ATOM 161 CG ASP A 11 13.825 -2.604 -3.795 1.00 0.00 C ATOM 162 OD1 ASP A 11 14.559 -3.543 -3.411 1.00 0.00 O ATOM 163 OD2 ASP A 11 13.649 -2.344 -5.005 1.00 0.00 O ATOM 0 H ASP A 11 13.789 -3.880 -1.754 1.00 0.00 H new ATOM 0 HA ASP A 11 11.962 -1.814 -0.983 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.576 -0.950 -3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 11 13.925 -1.209 -2.175 1.00 0.00 H new ATOM 168 N VAL A 12 9.816 -2.696 -1.888 1.00 0.00 N ATOM 169 CA VAL A 12 8.579 -3.332 -2.318 1.00 0.00 C ATOM 170 C VAL A 12 7.379 -2.388 -2.228 1.00 0.00 C ATOM 171 O VAL A 12 7.372 -1.429 -1.453 1.00 0.00 O ATOM 172 CB VAL A 12 8.313 -4.591 -1.465 1.00 0.00 C ATOM 173 CG1 VAL A 12 8.043 -4.218 -0.018 1.00 0.00 C ATOM 174 CG2 VAL A 12 7.173 -5.424 -2.029 1.00 0.00 C ATOM 0 H VAL A 12 9.716 -2.062 -1.095 1.00 0.00 H new ATOM 0 HA VAL A 12 8.703 -3.608 -3.365 1.00 0.00 H new ATOM 0 HB VAL A 12 9.214 -5.203 -1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.859 -5.122 0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.908 -3.695 0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.169 -3.569 0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.017 -6.301 -1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.262 -4.826 -2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.422 -5.743 -3.041 1.00 0.00 H new ATOM 184 N HIS A 13 6.368 -2.661 -3.040 1.00 0.00 N ATOM 185 CA HIS A 13 5.122 -1.913 -2.999 1.00 0.00 C ATOM 186 C HIS A 13 4.004 -2.825 -2.505 1.00 0.00 C ATOM 187 O HIS A 13 3.874 -3.958 -2.967 1.00 0.00 O ATOM 188 CB HIS A 13 4.754 -1.361 -4.385 1.00 0.00 C ATOM 189 CG HIS A 13 5.821 -0.524 -5.033 1.00 0.00 C ATOM 190 ND1 HIS A 13 5.888 -0.320 -6.392 1.00 0.00 N ATOM 191 CD2 HIS A 13 6.871 0.153 -4.504 1.00 0.00 C ATOM 192 CE1 HIS A 13 6.930 0.439 -6.674 1.00 0.00 C ATOM 193 NE2 HIS A 13 7.547 0.742 -5.545 1.00 0.00 N ATOM 0 H HIS A 13 6.388 -3.402 -3.741 1.00 0.00 H new ATOM 0 HA HIS A 13 5.251 -1.070 -2.320 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.518 -2.197 -5.043 1.00 0.00 H new ATOM 0 HB3 HIS A 13 3.848 -0.762 -4.293 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.128 0.217 -3.457 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.229 0.759 -7.661 1.00 0.00 H new ATOM 0 HE2 HIS A 13 8.385 1.317 -5.461 1.00 0.00 H new ATOM 202 N VAL A 14 3.206 -2.334 -1.571 1.00 0.00 N ATOM 203 CA VAL A 14 2.094 -3.105 -1.034 1.00 0.00 C ATOM 204 C VAL A 14 0.789 -2.604 -1.639 1.00 0.00 C ATOM 205 O VAL A 14 0.672 -1.431 -1.986 1.00 0.00 O ATOM 206 CB VAL A 14 2.019 -3.001 0.507 1.00 0.00 C ATOM 207 CG1 VAL A 14 0.944 -3.926 1.067 1.00 0.00 C ATOM 208 CG2 VAL A 14 3.373 -3.308 1.133 1.00 0.00 C ATOM 0 H VAL A 14 3.307 -1.403 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 14 2.254 -4.151 -1.294 1.00 0.00 H new ATOM 0 HB VAL A 14 1.747 -1.977 0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.913 -3.833 2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.025 -3.651 0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.175 -4.957 0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.299 -3.229 2.218 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.678 -4.319 0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.113 -2.596 0.767 1.00 0.00 H new ATOM 218 N VAL A 15 -0.179 -3.494 -1.770 1.00 0.00 N ATOM 219 CA VAL A 15 -1.425 -3.170 -2.436 1.00 0.00 C ATOM 220 C VAL A 15 -2.456 -2.623 -1.463 1.00 0.00 C ATOM 221 O VAL A 15 -2.717 -3.214 -0.419 1.00 0.00 O ATOM 222 CB VAL A 15 -2.001 -4.408 -3.164 1.00 0.00 C ATOM 223 CG1 VAL A 15 -2.344 -5.517 -2.183 1.00 0.00 C ATOM 224 CG2 VAL A 15 -3.211 -4.028 -4.003 1.00 0.00 C ATOM 0 H VAL A 15 -0.124 -4.451 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.202 -2.396 -3.170 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.230 -4.788 -3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.746 -6.372 -2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.445 -5.819 -1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.087 -5.157 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.598 -4.914 -4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.984 -3.609 -3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.919 -3.288 -4.748 1.00 0.00 H new ATOM 234 N LEU A 16 -3.013 -1.476 -1.799 1.00 0.00 N ATOM 235 CA LEU A 16 -4.148 -0.955 -1.078 1.00 0.00 C ATOM 236 C LEU A 16 -5.320 -0.816 -2.028 1.00 0.00 C ATOM 237 O LEU A 16 -5.285 -0.030 -2.967 1.00 0.00 O ATOM 238 CB LEU A 16 -3.846 0.392 -0.430 1.00 0.00 C ATOM 239 CG LEU A 16 -4.646 0.663 0.844 1.00 0.00 C ATOM 240 CD1 LEU A 16 -4.258 1.979 1.473 1.00 0.00 C ATOM 241 CD2 LEU A 16 -6.136 0.664 0.567 1.00 0.00 C ATOM 0 H LEU A 16 -2.694 -0.889 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.389 -1.655 -0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.783 0.441 -0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.050 1.184 -1.150 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.411 -0.143 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.847 2.138 2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.199 1.962 1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.448 2.789 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.678 0.859 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.370 1.440 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.433 -0.307 0.171 1.00 0.00 H new ATOM 253 N LYS A 17 -6.352 -1.587 -1.780 1.00 0.00 N ATOM 254 CA LYS A 17 -7.558 -1.509 -2.569 1.00 0.00 C ATOM 255 C LYS A 17 -8.633 -0.778 -1.782 1.00 0.00 C ATOM 256 O LYS A 17 -8.699 -0.891 -0.558 1.00 0.00 O ATOM 257 CB LYS A 17 -8.036 -2.913 -2.941 1.00 0.00 C ATOM 258 CG LYS A 17 -7.028 -3.708 -3.751 1.00 0.00 C ATOM 259 CD LYS A 17 -7.364 -5.185 -3.740 1.00 0.00 C ATOM 260 CE LYS A 17 -6.346 -6.003 -4.516 1.00 0.00 C ATOM 261 NZ LYS A 17 -6.537 -5.926 -5.987 1.00 0.00 N ATOM 0 H LYS A 17 -6.380 -2.280 -1.032 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.352 -0.960 -3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.268 -3.461 -2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.963 -2.833 -3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.013 -3.343 -4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.028 -3.556 -3.344 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.406 -5.540 -2.710 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.354 -5.335 -4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.343 -5.655 -4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.410 -7.045 -4.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.624 -6.069 -6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.205 -6.664 -6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.917 -4.991 -6.239 1.00 0.00 H new ATOM 275 N LEU A 18 -9.485 -0.062 -2.490 1.00 0.00 N ATOM 276 CA LEU A 18 -10.563 0.675 -1.874 1.00 0.00 C ATOM 277 C LEU A 18 -11.813 -0.158 -1.975 1.00 0.00 C ATOM 278 O LEU A 18 -12.034 -0.810 -2.988 1.00 0.00 O ATOM 279 CB LEU A 18 -10.821 2.001 -2.602 1.00 0.00 C ATOM 280 CG LEU A 18 -9.880 3.164 -2.304 1.00 0.00 C ATOM 281 CD1 LEU A 18 -9.769 3.391 -0.809 1.00 0.00 C ATOM 282 CD2 LEU A 18 -8.525 2.941 -2.948 1.00 0.00 C ATOM 0 H LEU A 18 -9.447 0.023 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.294 0.888 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.788 1.808 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.836 2.321 -2.367 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.298 4.071 -2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.093 4.225 -0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.754 3.621 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.380 2.491 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.871 3.783 -2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.083 2.024 -2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.645 2.855 -4.028 1.00 0.00 H new ATOM 294 N TRP A 19 -12.604 -0.158 -0.925 1.00 0.00 N ATOM 295 CA TRP A 19 -13.824 -0.931 -0.891 1.00 0.00 C ATOM 296 C TRP A 19 -14.975 -0.036 -0.453 1.00 0.00 C ATOM 297 O TRP A 19 -14.750 1.109 -0.080 1.00 0.00 O ATOM 298 CB TRP A 19 -13.686 -2.102 0.080 1.00 0.00 C ATOM 299 CG TRP A 19 -12.448 -2.913 -0.104 1.00 0.00 C ATOM 300 CD1 TRP A 19 -11.444 -3.044 0.798 1.00 0.00 C ATOM 301 CD2 TRP A 19 -12.062 -3.682 -1.249 1.00 0.00 C ATOM 302 NE1 TRP A 19 -10.504 -3.917 0.335 1.00 0.00 N ATOM 303 CE2 TRP A 19 -10.844 -4.307 -0.924 1.00 0.00 C ATOM 304 CE3 TRP A 19 -12.623 -3.924 -2.507 1.00 0.00 C ATOM 305 CZ2 TRP A 19 -10.190 -5.162 -1.796 1.00 0.00 C ATOM 306 CZ3 TRP A 19 -11.957 -4.758 -3.375 1.00 0.00 C ATOM 307 CH2 TRP A 19 -10.756 -5.371 -3.015 1.00 0.00 C ATOM 0 H TRP A 19 -12.420 0.375 -0.075 1.00 0.00 H new ATOM 0 HA TRP A 19 -14.022 -1.326 -1.888 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -13.705 -1.717 1.100 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -14.553 -2.754 -0.031 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -11.396 -2.531 1.747 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -9.680 -4.227 0.849 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -13.559 -3.466 -2.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -9.265 -5.645 -1.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -12.372 -4.942 -4.355 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -10.265 -6.026 -3.720 1.00 0.00 H new ATOM 318 N LYS A 20 -16.193 -0.541 -0.488 1.00 0.00 N ATOM 319 CA LYS A 20 -17.350 0.269 -0.125 1.00 0.00 C ATOM 320 C LYS A 20 -17.307 0.715 1.339 1.00 0.00 C ATOM 321 O LYS A 20 -17.723 1.826 1.672 1.00 0.00 O ATOM 322 CB LYS A 20 -18.660 -0.477 -0.438 1.00 0.00 C ATOM 323 CG LYS A 20 -18.611 -1.990 -0.223 1.00 0.00 C ATOM 324 CD LYS A 20 -18.729 -2.372 1.245 1.00 0.00 C ATOM 325 CE LYS A 20 -20.104 -2.049 1.807 1.00 0.00 C ATOM 326 NZ LYS A 20 -21.167 -2.903 1.214 1.00 0.00 N ATOM 0 H LYS A 20 -16.411 -1.499 -0.761 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.315 1.173 -0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -19.454 -0.063 0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -18.933 -0.281 -1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.419 -2.460 -0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.675 -2.381 -0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.531 -3.438 1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.969 -1.843 1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -20.093 -2.183 2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.335 -1.001 1.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -22.044 -2.796 1.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -21.336 -2.614 0.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.865 -3.898 1.235 1.00 0.00 H new ATOM 340 N SER A 21 -16.777 -0.135 2.204 1.00 0.00 N ATOM 341 CA SER A 21 -16.778 0.149 3.628 1.00 0.00 C ATOM 342 C SER A 21 -15.358 0.324 4.159 1.00 0.00 C ATOM 343 O SER A 21 -15.161 0.901 5.228 1.00 0.00 O ATOM 344 CB SER A 21 -17.494 -0.978 4.385 1.00 0.00 C ATOM 345 OG SER A 21 -17.710 -0.645 5.747 1.00 0.00 O ATOM 0 H SER A 21 -16.343 -1.022 1.946 1.00 0.00 H new ATOM 0 HA SER A 21 -17.312 1.086 3.788 1.00 0.00 H new ATOM 0 HB2 SER A 21 -18.451 -1.187 3.906 1.00 0.00 H new ATOM 0 HB3 SER A 21 -16.901 -1.891 4.324 1.00 0.00 H new ATOM 0 HG SER A 21 -18.169 -1.385 6.196 1.00 0.00 H new ATOM 351 N GLY A 22 -14.362 -0.141 3.408 1.00 0.00 N ATOM 352 CA GLY A 22 -13.009 -0.123 3.926 1.00 0.00 C ATOM 353 C GLY A 22 -11.939 -0.185 2.861 1.00 0.00 C ATOM 354 O GLY A 22 -12.173 0.164 1.709 1.00 0.00 O ATOM 0 H GLY A 22 -14.466 -0.523 2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.869 0.784 4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.880 -0.966 4.605 1.00 0.00 H new ATOM 358 N PHE A 23 -10.759 -0.627 3.266 1.00 0.00 N ATOM 359 CA PHE A 23 -9.597 -0.683 2.391 1.00 0.00 C ATOM 360 C PHE A 23 -8.709 -1.866 2.768 1.00 0.00 C ATOM 361 O PHE A 23 -8.548 -2.178 3.947 1.00 0.00 O ATOM 362 CB PHE A 23 -8.815 0.637 2.481 1.00 0.00 C ATOM 363 CG PHE A 23 -8.398 1.002 3.880 1.00 0.00 C ATOM 364 CD1 PHE A 23 -9.310 1.553 4.762 1.00 0.00 C ATOM 365 CD2 PHE A 23 -7.100 0.787 4.315 1.00 0.00 C ATOM 366 CE1 PHE A 23 -8.942 1.884 6.048 1.00 0.00 C ATOM 367 CE2 PHE A 23 -6.726 1.118 5.602 1.00 0.00 C ATOM 368 CZ PHE A 23 -7.648 1.665 6.469 1.00 0.00 C ATOM 0 H PHE A 23 -10.579 -0.958 4.214 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.929 -0.822 1.362 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.926 0.565 1.854 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -9.429 1.440 2.074 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.326 1.726 4.438 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -6.374 0.357 3.641 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -9.666 2.314 6.724 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.711 0.948 5.930 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.357 1.922 7.477 1.00 0.00 H new ATOM 378 N SER A 24 -8.163 -2.541 1.766 1.00 0.00 N ATOM 379 CA SER A 24 -7.280 -3.678 1.998 1.00 0.00 C ATOM 380 C SER A 24 -5.864 -3.339 1.592 1.00 0.00 C ATOM 381 O SER A 24 -5.610 -2.943 0.464 1.00 0.00 O ATOM 382 CB SER A 24 -7.752 -4.905 1.217 1.00 0.00 C ATOM 383 OG SER A 24 -6.918 -6.026 1.460 1.00 0.00 O ATOM 0 H SER A 24 -8.316 -2.321 0.782 1.00 0.00 H new ATOM 0 HA SER A 24 -7.306 -3.907 3.063 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.777 -5.145 1.498 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.759 -4.679 0.151 1.00 0.00 H new ATOM 0 HG SER A 24 -7.431 -6.850 1.327 1.00 0.00 H new ATOM 389 N LEU A 25 -4.957 -3.531 2.522 1.00 0.00 N ATOM 390 CA LEU A 25 -3.552 -3.227 2.318 1.00 0.00 C ATOM 391 C LEU A 25 -2.725 -4.501 2.394 1.00 0.00 C ATOM 392 O LEU A 25 -1.661 -4.521 3.017 1.00 0.00 O ATOM 393 CB LEU A 25 -3.068 -2.220 3.364 1.00 0.00 C ATOM 394 CG LEU A 25 -4.105 -1.800 4.413 1.00 0.00 C ATOM 395 CD1 LEU A 25 -4.400 -2.923 5.409 1.00 0.00 C ATOM 396 CD2 LEU A 25 -3.615 -0.565 5.137 1.00 0.00 C ATOM 0 H LEU A 25 -5.170 -3.904 3.447 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.430 -2.786 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.208 -2.646 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.719 -1.326 2.847 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.039 -1.578 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.139 -2.582 6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.789 -3.790 4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.483 -3.198 5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.351 -0.265 5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.667 -0.784 5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.473 0.244 4.421 1.00 0.00 H new ATOM 408 N ASP A 26 -3.230 -5.550 1.739 1.00 0.00 N ATOM 409 CA ASP A 26 -2.639 -6.894 1.771 1.00 0.00 C ATOM 410 C ASP A 26 -2.588 -7.487 3.187 1.00 0.00 C ATOM 411 O ASP A 26 -3.279 -8.465 3.487 1.00 0.00 O ATOM 412 CB ASP A 26 -1.234 -6.887 1.162 1.00 0.00 C ATOM 413 CG ASP A 26 -0.583 -8.253 1.217 1.00 0.00 C ATOM 414 OD1 ASP A 26 -0.933 -9.111 0.385 1.00 0.00 O ATOM 415 OD2 ASP A 26 0.275 -8.475 2.098 1.00 0.00 O ATOM 0 H ASP A 26 -4.071 -5.491 1.164 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.292 -7.530 1.173 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.290 -6.554 0.126 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.612 -6.168 1.695 1.00 0.00 H new ATOM 420 N ASN A 27 -1.789 -6.865 4.046 1.00 0.00 N ATOM 421 CA ASN A 27 -1.445 -7.395 5.367 1.00 0.00 C ATOM 422 C ASN A 27 -2.673 -7.753 6.214 1.00 0.00 C ATOM 423 O ASN A 27 -2.694 -8.803 6.855 1.00 0.00 O ATOM 424 CB ASN A 27 -0.558 -6.387 6.123 1.00 0.00 C ATOM 425 CG ASN A 27 -1.327 -5.178 6.632 1.00 0.00 C ATOM 426 OD1 ASN A 27 -1.814 -5.168 7.762 1.00 0.00 O ATOM 427 ND2 ASN A 27 -1.450 -4.154 5.803 1.00 0.00 N ATOM 0 H ASN A 27 -1.354 -5.965 3.845 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.899 -8.324 5.200 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.085 -6.890 6.966 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.242 -6.050 5.463 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.962 -3.321 6.094 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.033 -4.198 4.873 1.00 0.00 H new ATOM 434 N GLY A 28 -3.694 -6.901 6.213 1.00 0.00 N ATOM 435 CA GLY A 28 -4.823 -7.123 7.101 1.00 0.00 C ATOM 436 C GLY A 28 -6.152 -7.128 6.385 1.00 0.00 C ATOM 437 O GLY A 28 -7.185 -6.818 6.980 1.00 0.00 O ATOM 0 H GLY A 28 -3.761 -6.072 5.623 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.691 -8.075 7.615 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.833 -6.347 7.866 1.00 0.00 H new ATOM 441 N GLU A 29 -6.108 -7.494 5.111 1.00 0.00 N ATOM 442 CA GLU A 29 -7.296 -7.576 4.259 1.00 0.00 C ATOM 443 C GLU A 29 -8.170 -6.310 4.328 1.00 0.00 C ATOM 444 O GLU A 29 -7.663 -5.217 4.586 1.00 0.00 O ATOM 445 CB GLU A 29 -8.093 -8.837 4.600 1.00 0.00 C ATOM 446 CG GLU A 29 -7.344 -10.113 4.241 1.00 0.00 C ATOM 447 CD GLU A 29 -8.200 -11.360 4.337 1.00 0.00 C ATOM 448 OE1 GLU A 29 -9.091 -11.541 3.482 1.00 0.00 O ATOM 449 OE2 GLU A 29 -7.970 -12.184 5.244 1.00 0.00 O ATOM 0 H GLU A 29 -5.243 -7.745 4.632 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.959 -7.642 3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.322 -8.841 5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.045 -8.816 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.956 -10.025 3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.484 -10.219 4.903 1.00 0.00 H new ATOM 456 N LEU A 30 -9.464 -6.459 4.048 1.00 0.00 N ATOM 457 CA LEU A 30 -10.387 -5.328 3.976 1.00 0.00 C ATOM 458 C LEU A 30 -10.677 -4.802 5.379 1.00 0.00 C ATOM 459 O LEU A 30 -11.280 -5.482 6.208 1.00 0.00 O ATOM 460 CB LEU A 30 -11.677 -5.774 3.233 1.00 0.00 C ATOM 461 CG LEU A 30 -12.765 -4.714 2.924 1.00 0.00 C ATOM 462 CD1 LEU A 30 -13.909 -5.319 2.147 1.00 0.00 C ATOM 463 CD2 LEU A 30 -13.321 -4.075 4.162 1.00 0.00 C ATOM 0 H LEU A 30 -9.900 -7.363 3.866 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.942 -4.507 3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.375 -6.222 2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.143 -6.562 3.824 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.268 -3.947 2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.657 -4.552 1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.537 -5.721 1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.361 -6.122 2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.078 -3.342 3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.771 -4.839 4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.518 -3.579 4.707 1.00 0.00 H new ATOM 475 N ARG A 31 -10.220 -3.590 5.633 1.00 0.00 N ATOM 476 CA ARG A 31 -10.461 -2.923 6.897 1.00 0.00 C ATOM 477 C ARG A 31 -11.330 -1.692 6.683 1.00 0.00 C ATOM 478 O ARG A 31 -10.948 -0.788 5.947 1.00 0.00 O ATOM 479 CB ARG A 31 -9.137 -2.511 7.523 1.00 0.00 C ATOM 480 CG ARG A 31 -8.303 -3.673 8.024 1.00 0.00 C ATOM 481 CD ARG A 31 -7.051 -3.173 8.717 1.00 0.00 C ATOM 482 NE ARG A 31 -6.337 -4.241 9.415 1.00 0.00 N ATOM 483 CZ ARG A 31 -5.694 -4.064 10.567 1.00 0.00 C ATOM 484 NH1 ARG A 31 -5.788 -2.906 11.210 1.00 0.00 N ATOM 485 NH2 ARG A 31 -5.000 -5.058 11.101 1.00 0.00 N ATOM 0 H ARG A 31 -9.672 -3.042 4.970 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.978 -3.611 7.565 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.558 -1.952 6.788 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.335 -1.834 8.354 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.890 -4.278 8.715 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.030 -4.318 7.189 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.389 -2.717 7.981 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.320 -2.393 9.430 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.331 -5.171 8.997 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.353 -2.151 10.821 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.295 -2.771 12.093 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.957 -5.961 10.629 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.508 -4.920 11.984 1.00 0.00 H new ATOM 499 N SER A 32 -12.494 -1.668 7.316 1.00 0.00 N ATOM 500 CA SER A 32 -13.435 -0.571 7.184 1.00 0.00 C ATOM 501 C SER A 32 -12.828 0.761 7.632 1.00 0.00 C ATOM 502 O SER A 32 -12.069 0.818 8.600 1.00 0.00 O ATOM 503 CB SER A 32 -14.685 -0.895 7.995 1.00 0.00 C ATOM 504 OG SER A 32 -14.458 -2.023 8.828 1.00 0.00 O ATOM 0 H SER A 32 -12.811 -2.412 7.937 1.00 0.00 H new ATOM 0 HA SER A 32 -13.694 -0.458 6.131 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.963 -0.035 8.605 1.00 0.00 H new ATOM 0 HB3 SER A 32 -15.520 -1.093 7.323 1.00 0.00 H new ATOM 0 HG SER A 32 -14.735 -1.814 9.745 1.00 0.00 H new ATOM 510 N TYR A 33 -13.185 1.831 6.912 1.00 0.00 N ATOM 511 CA TYR A 33 -12.642 3.169 7.167 1.00 0.00 C ATOM 512 C TYR A 33 -13.035 3.671 8.553 1.00 0.00 C ATOM 513 O TYR A 33 -12.388 4.553 9.110 1.00 0.00 O ATOM 514 CB TYR A 33 -13.159 4.190 6.141 1.00 0.00 C ATOM 515 CG TYR A 33 -12.971 3.824 4.683 1.00 0.00 C ATOM 516 CD1 TYR A 33 -11.706 3.721 4.116 1.00 0.00 C ATOM 517 CD2 TYR A 33 -14.074 3.602 3.867 1.00 0.00 C ATOM 518 CE1 TYR A 33 -11.549 3.406 2.777 1.00 0.00 C ATOM 519 CE2 TYR A 33 -13.925 3.291 2.530 1.00 0.00 C ATOM 520 CZ TYR A 33 -12.662 3.192 1.992 1.00 0.00 C ATOM 521 OH TYR A 33 -12.512 2.879 0.663 1.00 0.00 O ATOM 0 H TYR A 33 -13.853 1.794 6.142 1.00 0.00 H new ATOM 0 HA TYR A 33 -11.558 3.078 7.092 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -14.222 4.348 6.321 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -12.660 5.142 6.323 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.833 3.889 4.729 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -15.067 3.674 4.287 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.560 3.328 2.350 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -14.794 3.126 1.910 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.234 2.278 0.385 1.00 0.00 H new ATOM 531 N GLN A 34 -14.115 3.116 9.086 1.00 0.00 N ATOM 532 CA GLN A 34 -14.695 3.588 10.333 1.00 0.00 C ATOM 533 C GLN A 34 -13.959 3.027 11.544 1.00 0.00 C ATOM 534 O GLN A 34 -13.905 3.662 12.598 1.00 0.00 O ATOM 535 CB GLN A 34 -16.161 3.180 10.380 1.00 0.00 C ATOM 536 CG GLN A 34 -16.993 3.796 9.267 1.00 0.00 C ATOM 537 CD GLN A 34 -18.408 3.260 9.231 1.00 0.00 C ATOM 538 OE1 GLN A 34 -18.692 2.270 8.563 1.00 0.00 O ATOM 539 NE2 GLN A 34 -19.309 3.915 9.942 1.00 0.00 N ATOM 0 H GLN A 34 -14.611 2.329 8.667 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.603 4.674 10.369 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -16.231 2.094 10.318 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -16.581 3.472 11.342 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -17.022 4.878 9.397 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -16.511 3.602 8.309 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -19.034 4.734 10.484 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -20.280 3.602 9.948 1.00 0.00 H new ATOM 548 N ASP A 35 -13.405 1.832 11.386 1.00 0.00 N ATOM 549 CA ASP A 35 -12.694 1.159 12.469 1.00 0.00 C ATOM 550 C ASP A 35 -11.429 1.923 12.854 1.00 0.00 C ATOM 551 O ASP A 35 -10.544 2.142 12.025 1.00 0.00 O ATOM 552 CB ASP A 35 -12.354 -0.279 12.067 1.00 0.00 C ATOM 553 CG ASP A 35 -13.536 -1.216 12.198 1.00 0.00 C ATOM 554 OD1 ASP A 35 -14.377 -1.255 11.279 1.00 0.00 O ATOM 555 OD2 ASP A 35 -13.625 -1.929 13.220 1.00 0.00 O ATOM 0 H ASP A 35 -13.434 1.305 10.513 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.347 1.133 13.341 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.999 -0.290 11.036 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.536 -0.643 12.689 1.00 0.00 H new ATOM 560 N PRO A 36 -11.325 2.319 14.137 1.00 0.00 N ATOM 561 CA PRO A 36 -10.250 3.194 14.631 1.00 0.00 C ATOM 562 C PRO A 36 -8.850 2.612 14.446 1.00 0.00 C ATOM 563 O PRO A 36 -7.867 3.351 14.408 1.00 0.00 O ATOM 564 CB PRO A 36 -10.561 3.353 16.124 1.00 0.00 C ATOM 565 CG PRO A 36 -11.998 2.989 16.262 1.00 0.00 C ATOM 566 CD PRO A 36 -12.260 1.949 15.213 1.00 0.00 C ATOM 0 HA PRO A 36 -10.232 4.132 14.075 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.930 2.703 16.730 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.379 4.375 16.458 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.209 2.601 17.258 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.637 3.860 16.117 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.068 0.943 15.586 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.295 1.971 14.873 1.00 0.00 H new ATOM 574 N SER A 37 -8.756 1.298 14.306 1.00 0.00 N ATOM 575 CA SER A 37 -7.468 0.643 14.175 1.00 0.00 C ATOM 576 C SER A 37 -6.910 0.892 12.787 1.00 0.00 C ATOM 577 O SER A 37 -5.703 0.863 12.553 1.00 0.00 O ATOM 578 CB SER A 37 -7.644 -0.850 14.401 1.00 0.00 C ATOM 579 OG SER A 37 -8.355 -1.095 15.603 1.00 0.00 O ATOM 0 H SER A 37 -9.557 0.667 14.280 1.00 0.00 H new ATOM 0 HA SER A 37 -6.774 1.043 14.914 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.180 -1.289 13.560 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.668 -1.334 14.445 1.00 0.00 H new ATOM 0 HG SER A 37 -8.460 -2.061 15.730 1.00 0.00 H new ATOM 585 N ASN A 38 -7.822 1.147 11.875 1.00 0.00 N ATOM 586 CA ASN A 38 -7.496 1.319 10.473 1.00 0.00 C ATOM 587 C ASN A 38 -7.257 2.787 10.157 1.00 0.00 C ATOM 588 O ASN A 38 -6.659 3.122 9.133 1.00 0.00 O ATOM 589 CB ASN A 38 -8.638 0.767 9.625 1.00 0.00 C ATOM 590 CG ASN A 38 -9.113 -0.579 10.138 1.00 0.00 C ATOM 591 OD1 ASN A 38 -8.337 -1.350 10.706 1.00 0.00 O ATOM 592 ND2 ASN A 38 -10.388 -0.869 9.952 1.00 0.00 N ATOM 0 H ASN A 38 -8.816 1.242 12.084 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.580 0.775 10.245 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.469 1.472 9.629 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.309 0.668 8.591 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.762 -1.758 10.283 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.998 -0.204 9.477 1.00 0.00 H new ATOM 599 N ALA A 39 -7.711 3.658 11.053 1.00 0.00 N ATOM 600 CA ALA A 39 -7.505 5.095 10.903 1.00 0.00 C ATOM 601 C ALA A 39 -6.016 5.420 10.870 1.00 0.00 C ATOM 602 O ALA A 39 -5.591 6.375 10.216 1.00 0.00 O ATOM 603 CB ALA A 39 -8.191 5.851 12.031 1.00 0.00 C ATOM 0 H ALA A 39 -8.225 3.393 11.893 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.947 5.410 9.958 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.027 6.921 11.904 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.261 5.642 12.011 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.777 5.532 12.987 1.00 0.00 H new ATOM 609 N GLN A 40 -5.233 4.605 11.576 1.00 0.00 N ATOM 610 CA GLN A 40 -3.779 4.720 11.566 1.00 0.00 C ATOM 611 C GLN A 40 -3.260 4.663 10.134 1.00 0.00 C ATOM 612 O GLN A 40 -2.549 5.565 9.687 1.00 0.00 O ATOM 613 CB GLN A 40 -3.160 3.601 12.420 1.00 0.00 C ATOM 614 CG GLN A 40 -1.630 3.546 12.390 1.00 0.00 C ATOM 615 CD GLN A 40 -1.047 2.709 11.253 1.00 0.00 C ATOM 616 OE1 GLN A 40 -0.006 3.054 10.699 1.00 0.00 O ATOM 617 NE2 GLN A 40 -1.651 1.567 10.957 1.00 0.00 N ATOM 0 H GLN A 40 -5.587 3.852 12.166 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.490 5.680 11.995 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.485 3.728 13.453 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.551 2.643 12.078 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.244 4.562 12.310 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.275 3.144 13.339 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.514 1.308 11.434 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.252 0.947 10.252 1.00 0.00 H new ATOM 626 N PHE A 41 -3.637 3.603 9.420 1.00 0.00 N ATOM 627 CA PHE A 41 -3.252 3.442 8.024 1.00 0.00 C ATOM 628 C PHE A 41 -3.741 4.627 7.218 1.00 0.00 C ATOM 629 O PHE A 41 -2.951 5.360 6.635 1.00 0.00 O ATOM 630 CB PHE A 41 -3.861 2.172 7.433 1.00 0.00 C ATOM 631 CG PHE A 41 -3.456 0.908 8.122 1.00 0.00 C ATOM 632 CD1 PHE A 41 -2.203 0.362 7.908 1.00 0.00 C ATOM 633 CD2 PHE A 41 -4.337 0.255 8.968 1.00 0.00 C ATOM 634 CE1 PHE A 41 -1.836 -0.811 8.528 1.00 0.00 C ATOM 635 CE2 PHE A 41 -3.975 -0.919 9.589 1.00 0.00 C ATOM 636 CZ PHE A 41 -2.723 -1.454 9.370 1.00 0.00 C ATOM 0 H PHE A 41 -4.209 2.844 9.789 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.165 3.374 7.981 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -4.947 2.256 7.466 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.578 2.104 6.382 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.507 0.860 7.249 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.318 0.671 9.142 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.855 -1.229 8.356 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.670 -1.420 10.246 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.436 -2.375 9.856 1.00 0.00 H new ATOM 646 N LEU A 42 -5.057 4.799 7.234 1.00 0.00 N ATOM 647 CA LEU A 42 -5.739 5.851 6.493 1.00 0.00 C ATOM 648 C LEU A 42 -4.973 7.163 6.496 1.00 0.00 C ATOM 649 O LEU A 42 -4.493 7.621 5.458 1.00 0.00 O ATOM 650 CB LEU A 42 -7.111 6.088 7.110 1.00 0.00 C ATOM 651 CG LEU A 42 -8.261 5.289 6.491 1.00 0.00 C ATOM 652 CD1 LEU A 42 -9.569 5.607 7.194 1.00 0.00 C ATOM 653 CD2 LEU A 42 -8.378 5.575 5.002 1.00 0.00 C ATOM 0 H LEU A 42 -5.688 4.203 7.770 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.820 5.516 5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.058 5.851 8.172 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.346 7.149 7.032 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.045 4.228 6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.375 5.030 6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.487 5.349 8.250 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.785 6.671 7.097 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.202 4.996 4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.567 6.638 4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.449 5.296 4.504 1.00 0.00 H new ATOM 665 N GLU A 43 -4.857 7.752 7.668 1.00 0.00 N ATOM 666 CA GLU A 43 -4.271 9.072 7.798 1.00 0.00 C ATOM 667 C GLU A 43 -2.783 9.072 7.467 1.00 0.00 C ATOM 668 O GLU A 43 -2.322 9.960 6.762 1.00 0.00 O ATOM 669 CB GLU A 43 -4.506 9.652 9.190 1.00 0.00 C ATOM 670 CG GLU A 43 -4.246 11.147 9.237 1.00 0.00 C ATOM 671 CD GLU A 43 -4.536 11.770 10.582 1.00 0.00 C ATOM 672 OE1 GLU A 43 -5.610 11.489 11.153 1.00 0.00 O ATOM 673 OE2 GLU A 43 -3.699 12.565 11.057 1.00 0.00 O ATOM 0 H GLU A 43 -5.162 7.336 8.548 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.773 9.709 7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.533 9.453 9.496 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.857 9.149 9.906 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.204 11.334 8.976 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.857 11.637 8.480 1.00 0.00 H new ATOM 680 N SER A 44 -2.030 8.080 7.941 1.00 0.00 N ATOM 681 CA SER A 44 -0.604 8.028 7.655 1.00 0.00 C ATOM 682 C SER A 44 -0.369 7.967 6.155 1.00 0.00 C ATOM 683 O SER A 44 0.490 8.668 5.622 1.00 0.00 O ATOM 684 CB SER A 44 0.023 6.817 8.331 1.00 0.00 C ATOM 685 OG SER A 44 -0.193 6.851 9.730 1.00 0.00 O ATOM 0 H SER A 44 -2.380 7.314 8.516 1.00 0.00 H new ATOM 0 HA SER A 44 -0.137 8.932 8.046 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.402 5.903 7.916 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.093 6.794 8.125 1.00 0.00 H new ATOM 0 HG SER A 44 -0.925 6.242 9.963 1.00 0.00 H new ATOM 691 N ILE A 45 -1.181 7.175 5.472 1.00 0.00 N ATOM 692 CA ILE A 45 -1.035 7.000 4.036 1.00 0.00 C ATOM 693 C ILE A 45 -1.520 8.257 3.307 1.00 0.00 C ATOM 694 O ILE A 45 -1.075 8.568 2.202 1.00 0.00 O ATOM 695 CB ILE A 45 -1.800 5.743 3.554 1.00 0.00 C ATOM 696 CG1 ILE A 45 -1.319 4.511 4.327 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.606 5.520 2.064 1.00 0.00 C ATOM 698 CD1 ILE A 45 -2.101 3.252 4.017 1.00 0.00 C ATOM 0 H ILE A 45 -1.946 6.644 5.888 1.00 0.00 H new ATOM 0 HA ILE A 45 0.019 6.851 3.804 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.862 5.901 3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.267 4.339 4.100 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.386 4.715 5.396 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.155 4.630 1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.978 6.385 1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.546 5.384 1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.703 2.423 4.602 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.150 3.404 4.271 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.014 3.022 2.955 1.00 0.00 H new ATOM 710 N ARG A 46 -2.411 8.995 3.963 1.00 0.00 N ATOM 711 CA ARG A 46 -2.890 10.277 3.452 1.00 0.00 C ATOM 712 C ARG A 46 -1.847 11.380 3.660 1.00 0.00 C ATOM 713 O ARG A 46 -1.729 12.293 2.843 1.00 0.00 O ATOM 714 CB ARG A 46 -4.200 10.663 4.143 1.00 0.00 C ATOM 715 CG ARG A 46 -5.425 9.955 3.586 1.00 0.00 C ATOM 716 CD ARG A 46 -6.623 10.080 4.518 1.00 0.00 C ATOM 717 NE ARG A 46 -6.822 11.450 4.988 1.00 0.00 N ATOM 718 CZ ARG A 46 -8.006 11.973 5.306 1.00 0.00 C ATOM 719 NH1 ARG A 46 -9.120 11.265 5.181 1.00 0.00 N ATOM 720 NH2 ARG A 46 -8.073 13.213 5.759 1.00 0.00 N ATOM 0 H ARG A 46 -2.819 8.724 4.858 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.064 10.169 2.381 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.117 10.441 5.207 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.343 11.740 4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.677 10.376 2.612 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.195 8.901 3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.520 9.743 3.999 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.484 9.421 5.375 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.999 12.046 5.079 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.079 10.306 4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.018 11.680 5.429 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.221 13.764 5.864 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.976 13.618 6.004 1.00 0.00 H new ATOM 734 N ARG A 47 -1.101 11.293 4.763 1.00 0.00 N ATOM 735 CA ARG A 47 -0.043 12.260 5.063 1.00 0.00 C ATOM 736 C ARG A 47 1.173 12.039 4.171 1.00 0.00 C ATOM 737 O ARG A 47 2.074 12.877 4.117 1.00 0.00 O ATOM 738 CB ARG A 47 0.414 12.152 6.523 1.00 0.00 C ATOM 739 CG ARG A 47 -0.694 12.286 7.551 1.00 0.00 C ATOM 740 CD ARG A 47 -1.505 13.548 7.345 1.00 0.00 C ATOM 741 NE ARG A 47 -2.458 13.763 8.431 1.00 0.00 N ATOM 742 CZ ARG A 47 -3.340 14.757 8.464 1.00 0.00 C ATOM 743 NH1 ARG A 47 -3.443 15.596 7.438 1.00 0.00 N ATOM 744 NH2 ARG A 47 -4.137 14.890 9.515 1.00 0.00 N ATOM 0 H ARG A 47 -1.210 10.561 5.465 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.464 13.249 4.880 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.906 11.190 6.664 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.161 12.923 6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.351 11.418 7.492 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.262 12.291 8.552 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.834 14.404 7.275 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.041 13.485 6.398 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.446 13.109 9.214 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.844 15.478 6.621 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.121 16.357 7.468 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.071 14.232 10.292 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.816 15.650 9.547 1.00 0.00 H new ATOM 758 N GLY A 48 1.201 10.904 3.490 1.00 0.00 N ATOM 759 CA GLY A 48 2.359 10.544 2.699 1.00 0.00 C ATOM 760 C GLY A 48 3.404 9.835 3.537 1.00 0.00 C ATOM 761 O GLY A 48 4.588 9.806 3.191 1.00 0.00 O ATOM 0 H GLY A 48 0.441 10.224 3.471 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.052 9.899 1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.793 11.441 2.257 1.00 0.00 H new ATOM 765 N GLU A 49 2.959 9.274 4.652 1.00 0.00 N ATOM 766 CA GLU A 49 3.834 8.553 5.555 1.00 0.00 C ATOM 767 C GLU A 49 3.550 7.062 5.468 1.00 0.00 C ATOM 768 O GLU A 49 2.553 6.642 4.880 1.00 0.00 O ATOM 769 CB GLU A 49 3.648 9.053 6.987 1.00 0.00 C ATOM 770 CG GLU A 49 3.979 10.530 7.157 1.00 0.00 C ATOM 771 CD GLU A 49 3.825 11.015 8.583 1.00 0.00 C ATOM 772 OE1 GLU A 49 4.688 10.681 9.420 1.00 0.00 O ATOM 773 OE2 GLU A 49 2.854 11.752 8.867 1.00 0.00 O ATOM 0 H GLU A 49 1.985 9.307 4.952 1.00 0.00 H new ATOM 0 HA GLU A 49 4.869 8.730 5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.616 8.881 7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.280 8.467 7.654 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.003 10.706 6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.330 11.118 6.508 1.00 0.00 H new ATOM 780 N VAL A 50 4.432 6.267 6.039 1.00 0.00 N ATOM 781 CA VAL A 50 4.328 4.827 5.930 1.00 0.00 C ATOM 782 C VAL A 50 3.842 4.194 7.234 1.00 0.00 C ATOM 783 O VAL A 50 4.338 4.512 8.318 1.00 0.00 O ATOM 784 CB VAL A 50 5.685 4.222 5.512 1.00 0.00 C ATOM 785 CG1 VAL A 50 6.754 4.453 6.571 1.00 0.00 C ATOM 786 CG2 VAL A 50 5.537 2.743 5.195 1.00 0.00 C ATOM 0 H VAL A 50 5.230 6.595 6.584 1.00 0.00 H new ATOM 0 HA VAL A 50 3.588 4.606 5.161 1.00 0.00 H new ATOM 0 HB VAL A 50 6.012 4.735 4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.695 4.013 6.240 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.889 5.524 6.725 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.445 3.988 7.507 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.504 2.335 4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.173 2.216 6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.827 2.615 4.378 1.00 0.00 H new ATOM 796 N PRO A 51 2.841 3.301 7.138 1.00 0.00 N ATOM 797 CA PRO A 51 2.341 2.537 8.283 1.00 0.00 C ATOM 798 C PRO A 51 3.346 1.477 8.733 1.00 0.00 C ATOM 799 O PRO A 51 4.022 0.851 7.909 1.00 0.00 O ATOM 800 CB PRO A 51 1.057 1.873 7.753 1.00 0.00 C ATOM 801 CG PRO A 51 0.782 2.508 6.437 1.00 0.00 C ATOM 802 CD PRO A 51 2.107 2.971 5.909 1.00 0.00 C ATOM 0 HA PRO A 51 2.168 3.169 9.154 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.189 0.796 7.647 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.226 2.026 8.441 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.317 1.799 5.752 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.092 3.345 6.546 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.609 2.193 5.333 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.003 3.836 5.254 1.00 0.00 H new ATOM 810 N ALA A 52 3.426 1.274 10.047 1.00 0.00 N ATOM 811 CA ALA A 52 4.411 0.378 10.643 1.00 0.00 C ATOM 812 C ALA A 52 4.197 -1.062 10.202 1.00 0.00 C ATOM 813 O ALA A 52 5.123 -1.864 10.230 1.00 0.00 O ATOM 814 CB ALA A 52 4.370 0.473 12.160 1.00 0.00 C ATOM 0 H ALA A 52 2.812 1.725 10.725 1.00 0.00 H new ATOM 0 HA ALA A 52 5.394 0.693 10.294 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.111 -0.202 12.587 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.591 1.495 12.467 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.378 0.194 12.515 1.00 0.00 H new ATOM 820 N GLU A 53 2.972 -1.383 9.808 1.00 0.00 N ATOM 821 CA GLU A 53 2.644 -2.704 9.275 1.00 0.00 C ATOM 822 C GLU A 53 3.515 -3.038 8.070 1.00 0.00 C ATOM 823 O GLU A 53 3.953 -4.174 7.901 1.00 0.00 O ATOM 824 CB GLU A 53 1.168 -2.759 8.865 1.00 0.00 C ATOM 825 CG GLU A 53 0.193 -2.921 10.024 1.00 0.00 C ATOM 826 CD GLU A 53 0.383 -1.892 11.121 1.00 0.00 C ATOM 827 OE1 GLU A 53 0.453 -0.684 10.807 1.00 0.00 O ATOM 828 OE2 GLU A 53 0.477 -2.293 12.300 1.00 0.00 O ATOM 0 H GLU A 53 2.180 -0.741 9.847 1.00 0.00 H new ATOM 0 HA GLU A 53 2.833 -3.437 10.059 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.921 -1.845 8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.028 -3.588 8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.826 -2.851 9.644 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.307 -3.918 10.448 1.00 0.00 H new ATOM 835 N LEU A 54 3.764 -2.038 7.239 1.00 0.00 N ATOM 836 CA LEU A 54 4.528 -2.234 6.024 1.00 0.00 C ATOM 837 C LEU A 54 6.012 -2.104 6.326 1.00 0.00 C ATOM 838 O LEU A 54 6.844 -2.778 5.723 1.00 0.00 O ATOM 839 CB LEU A 54 4.107 -1.213 4.970 1.00 0.00 C ATOM 840 CG LEU A 54 2.609 -0.978 4.863 1.00 0.00 C ATOM 841 CD1 LEU A 54 2.332 0.092 3.825 1.00 0.00 C ATOM 842 CD2 LEU A 54 1.895 -2.271 4.507 1.00 0.00 C ATOM 0 H LEU A 54 3.445 -1.080 7.387 1.00 0.00 H new ATOM 0 HA LEU A 54 4.334 -3.233 5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.593 -0.263 5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.478 -1.542 3.999 1.00 0.00 H new ATOM 0 HG LEU A 54 2.231 -0.637 5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.257 0.258 3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.823 1.020 4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.717 -0.231 2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.823 -2.087 4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.266 -2.640 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.083 -3.015 5.281 1.00 0.00 H new ATOM 854 N ARG A 55 6.332 -1.223 7.263 1.00 0.00 N ATOM 855 CA ARG A 55 7.707 -1.045 7.706 1.00 0.00 C ATOM 856 C ARG A 55 8.223 -2.279 8.441 1.00 0.00 C ATOM 857 O ARG A 55 9.391 -2.635 8.318 1.00 0.00 O ATOM 858 CB ARG A 55 7.825 0.192 8.580 1.00 0.00 C ATOM 859 CG ARG A 55 8.349 1.403 7.834 1.00 0.00 C ATOM 860 CD ARG A 55 9.793 1.204 7.419 1.00 0.00 C ATOM 861 NE ARG A 55 10.352 2.400 6.790 1.00 0.00 N ATOM 862 CZ ARG A 55 11.628 2.532 6.434 1.00 0.00 C ATOM 863 NH1 ARG A 55 12.488 1.546 6.652 1.00 0.00 N ATOM 864 NH2 ARG A 55 12.036 3.655 5.860 1.00 0.00 N ATOM 0 H ARG A 55 5.657 -0.619 7.732 1.00 0.00 H new ATOM 0 HA ARG A 55 8.329 -0.908 6.821 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.847 0.427 9.000 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.487 -0.025 9.418 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.735 1.584 6.952 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.267 2.287 8.466 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.389 0.942 8.293 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.859 0.365 6.726 1.00 0.00 H new ATOM 0 HE ARG A 55 9.724 3.184 6.613 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.173 0.683 7.094 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.465 1.651 6.378 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.374 4.412 5.693 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.012 3.762 5.585 1.00 0.00 H new ATOM 878 N ARG A 56 7.357 -2.929 9.210 1.00 0.00 N ATOM 879 CA ARG A 56 7.687 -4.214 9.804 1.00 0.00 C ATOM 880 C ARG A 56 7.388 -5.334 8.816 1.00 0.00 C ATOM 881 O ARG A 56 6.837 -6.373 9.172 1.00 0.00 O ATOM 882 CB ARG A 56 6.919 -4.429 11.110 1.00 0.00 C ATOM 883 CG ARG A 56 7.248 -3.411 12.195 1.00 0.00 C ATOM 884 CD ARG A 56 8.719 -3.454 12.609 1.00 0.00 C ATOM 885 NE ARG A 56 9.595 -2.864 11.596 1.00 0.00 N ATOM 886 CZ ARG A 56 10.887 -3.159 11.455 1.00 0.00 C ATOM 887 NH1 ARG A 56 11.483 -3.995 12.293 1.00 0.00 N ATOM 888 NH2 ARG A 56 11.591 -2.613 10.472 1.00 0.00 N ATOM 0 H ARG A 56 6.423 -2.586 9.435 1.00 0.00 H new ATOM 0 HA ARG A 56 8.751 -4.223 10.039 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.850 -4.391 10.902 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.135 -5.429 11.486 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.003 -2.411 11.837 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.622 -3.599 13.067 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.845 -2.921 13.551 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.015 -4.488 12.785 1.00 0.00 H new ATOM 0 HE ARG A 56 9.190 -2.182 10.955 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.952 -4.419 13.054 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.472 -4.215 12.177 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.144 -1.966 9.823 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.580 -2.840 10.366 1.00 0.00 H new ATOM 902 N LEU A 57 7.728 -5.081 7.563 1.00 0.00 N ATOM 903 CA LEU A 57 7.596 -6.052 6.500 1.00 0.00 C ATOM 904 C LEU A 57 8.708 -5.806 5.488 1.00 0.00 C ATOM 905 O LEU A 57 9.489 -6.701 5.165 1.00 0.00 O ATOM 906 CB LEU A 57 6.216 -5.909 5.853 1.00 0.00 C ATOM 907 CG LEU A 57 5.806 -7.018 4.874 1.00 0.00 C ATOM 908 CD1 LEU A 57 4.294 -7.058 4.738 1.00 0.00 C ATOM 909 CD2 LEU A 57 6.447 -6.810 3.508 1.00 0.00 C ATOM 0 H LEU A 57 8.107 -4.185 7.256 1.00 0.00 H new ATOM 0 HA LEU A 57 7.684 -7.068 6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.470 -5.859 6.646 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.183 -4.956 5.324 1.00 0.00 H new ATOM 0 HG LEU A 57 6.158 -7.970 5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.012 -7.848 4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.846 -7.256 5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.937 -6.099 4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.139 -7.611 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.130 -5.851 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.532 -6.820 3.610 1.00 0.00 H new ATOM 921 N ALA A 58 8.781 -4.569 5.013 1.00 0.00 N ATOM 922 CA ALA A 58 9.813 -4.162 4.079 1.00 0.00 C ATOM 923 C ALA A 58 11.004 -3.561 4.807 1.00 0.00 C ATOM 924 O ALA A 58 10.868 -2.959 5.872 1.00 0.00 O ATOM 925 CB ALA A 58 9.260 -3.156 3.082 1.00 0.00 C ATOM 0 H ALA A 58 8.129 -3.826 5.265 1.00 0.00 H new ATOM 0 HA ALA A 58 10.147 -5.051 3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.047 -2.861 2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.438 -3.608 2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.898 -2.277 3.615 1.00 0.00 H new ATOM 931 N HIS A 59 12.167 -3.740 4.221 1.00 0.00 N ATOM 932 CA HIS A 59 13.385 -3.133 4.715 1.00 0.00 C ATOM 933 C HIS A 59 13.923 -2.224 3.625 1.00 0.00 C ATOM 934 O HIS A 59 13.190 -1.910 2.684 1.00 0.00 O ATOM 935 CB HIS A 59 14.407 -4.210 5.104 1.00 0.00 C ATOM 936 CG HIS A 59 13.996 -5.026 6.292 1.00 0.00 C ATOM 937 ND1 HIS A 59 14.563 -4.878 7.539 1.00 0.00 N ATOM 938 CD2 HIS A 59 13.069 -6.006 6.420 1.00 0.00 C ATOM 939 CE1 HIS A 59 14.002 -5.727 8.380 1.00 0.00 C ATOM 940 NE2 HIS A 59 13.093 -6.421 7.725 1.00 0.00 N ATOM 0 H HIS A 59 12.296 -4.312 3.386 1.00 0.00 H new ATOM 0 HA HIS A 59 13.185 -2.550 5.614 1.00 0.00 H new ATOM 0 HB2 HIS A 59 14.564 -4.874 4.254 1.00 0.00 H new ATOM 0 HB3 HIS A 59 15.363 -3.732 5.315 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.430 -6.389 5.638 1.00 0.00 H new ATOM 0 HE1 HIS A 59 14.246 -5.835 9.426 1.00 0.00 H new ATOM 0 HE2 HIS A 59 12.502 -7.150 8.125 1.00 0.00 H new ATOM 949 N GLY A 60 15.166 -1.782 3.741 1.00 0.00 N ATOM 950 CA GLY A 60 15.740 -0.939 2.711 1.00 0.00 C ATOM 951 C GLY A 60 15.221 0.476 2.799 1.00 0.00 C ATOM 952 O GLY A 60 15.969 1.404 3.111 1.00 0.00 O ATOM 0 H GLY A 60 15.785 -1.990 4.525 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.826 -0.936 2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.507 -1.352 1.730 1.00 0.00 H new ATOM 956 N GLY A 61 13.931 0.641 2.547 1.00 0.00 N ATOM 957 CA GLY A 61 13.316 1.937 2.685 1.00 0.00 C ATOM 958 C GLY A 61 12.226 2.198 1.696 1.00 0.00 C ATOM 959 O GLY A 61 11.300 2.958 1.979 1.00 0.00 O ATOM 0 H GLY A 61 13.301 -0.104 2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.910 2.030 3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.082 2.705 2.578 1.00 0.00 H new ATOM 963 N GLN A 62 12.315 1.589 0.535 1.00 0.00 N ATOM 964 CA GLN A 62 11.284 1.748 -0.457 1.00 0.00 C ATOM 965 C GLN A 62 10.086 0.871 -0.136 1.00 0.00 C ATOM 966 O GLN A 62 9.674 0.035 -0.938 1.00 0.00 O ATOM 967 CB GLN A 62 11.826 1.407 -1.820 1.00 0.00 C ATOM 968 CG GLN A 62 10.939 1.927 -2.949 1.00 0.00 C ATOM 969 CD GLN A 62 11.212 1.287 -4.297 1.00 0.00 C ATOM 970 OE1 GLN A 62 10.293 1.112 -5.100 1.00 0.00 O ATOM 971 NE2 GLN A 62 12.463 0.958 -4.571 1.00 0.00 N ATOM 0 H GLN A 62 13.087 0.983 0.258 1.00 0.00 H new ATOM 0 HA GLN A 62 10.957 2.788 -0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.826 1.827 -1.925 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.924 0.325 -1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.895 1.758 -2.684 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.075 3.005 -3.036 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.196 1.119 -3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.695 0.544 -5.474 1.00 0.00 H new ATOM 980 N VAL A 63 9.553 1.047 1.054 1.00 0.00 N ATOM 981 CA VAL A 63 8.305 0.428 1.412 1.00 0.00 C ATOM 982 C VAL A 63 7.181 1.388 1.044 1.00 0.00 C ATOM 983 O VAL A 63 6.929 2.383 1.727 1.00 0.00 O ATOM 984 CB VAL A 63 8.256 0.058 2.913 1.00 0.00 C ATOM 985 CG1 VAL A 63 8.676 1.227 3.793 1.00 0.00 C ATOM 986 CG2 VAL A 63 6.869 -0.433 3.290 1.00 0.00 C ATOM 0 H VAL A 63 9.970 1.617 1.790 1.00 0.00 H new ATOM 0 HA VAL A 63 8.193 -0.508 0.865 1.00 0.00 H new ATOM 0 HB VAL A 63 8.970 -0.748 3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.629 0.929 4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.696 1.521 3.545 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.004 2.069 3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.849 -0.690 4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.139 0.352 3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.622 -1.314 2.698 1.00 0.00 H new ATOM 996 N ASN A 64 6.528 1.109 -0.061 1.00 0.00 N ATOM 997 CA ASN A 64 5.532 2.016 -0.579 1.00 0.00 C ATOM 998 C ASN A 64 4.243 1.277 -0.872 1.00 0.00 C ATOM 999 O ASN A 64 4.215 0.051 -0.889 1.00 0.00 O ATOM 1000 CB ASN A 64 6.062 2.700 -1.832 1.00 0.00 C ATOM 1001 CG ASN A 64 5.335 3.996 -2.145 1.00 0.00 C ATOM 1002 OD1 ASN A 64 5.193 4.373 -3.303 1.00 0.00 O ATOM 1003 ND2 ASN A 64 4.880 4.695 -1.112 1.00 0.00 N ATOM 0 H ASN A 64 6.668 0.265 -0.616 1.00 0.00 H new ATOM 0 HA ASN A 64 5.319 2.777 0.171 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.125 2.906 -1.706 1.00 0.00 H new ATOM 0 HB3 ASN A 64 5.967 2.021 -2.679 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.393 5.578 -1.268 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.017 4.349 -0.162 1.00 0.00 H new ATOM 1010 N LEU A 65 3.179 2.020 -1.088 1.00 0.00 N ATOM 1011 CA LEU A 65 1.867 1.435 -1.248 1.00 0.00 C ATOM 1012 C LEU A 65 1.214 1.915 -2.544 1.00 0.00 C ATOM 1013 O LEU A 65 1.258 3.103 -2.870 1.00 0.00 O ATOM 1014 CB LEU A 65 1.024 1.784 -0.012 1.00 0.00 C ATOM 1015 CG LEU A 65 -0.445 1.392 -0.055 1.00 0.00 C ATOM 1016 CD1 LEU A 65 -0.895 0.960 1.332 1.00 0.00 C ATOM 1017 CD2 LEU A 65 -1.288 2.561 -0.547 1.00 0.00 C ATOM 0 H LEU A 65 3.199 3.037 -1.157 1.00 0.00 H new ATOM 0 HA LEU A 65 1.945 0.351 -1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.479 1.306 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.085 2.860 0.148 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.576 0.560 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.948 0.679 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.301 0.106 1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.760 1.785 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.337 2.267 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.165 3.408 0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.966 2.846 -1.549 1.00 0.00 H new ATOM 1029 N ASP A 66 0.639 0.978 -3.287 1.00 0.00 N ATOM 1030 CA ASP A 66 -0.095 1.292 -4.510 1.00 0.00 C ATOM 1031 C ASP A 66 -1.584 1.177 -4.247 1.00 0.00 C ATOM 1032 O ASP A 66 -2.001 0.399 -3.392 1.00 0.00 O ATOM 1033 CB ASP A 66 0.303 0.353 -5.655 1.00 0.00 C ATOM 1034 CG ASP A 66 1.265 1.000 -6.631 1.00 0.00 C ATOM 1035 OD1 ASP A 66 1.027 2.164 -7.016 1.00 0.00 O ATOM 1036 OD2 ASP A 66 2.261 0.353 -7.017 1.00 0.00 O ATOM 0 H ASP A 66 0.667 -0.017 -3.062 1.00 0.00 H new ATOM 0 HA ASP A 66 0.153 2.311 -4.808 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.761 -0.545 -5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.593 0.037 -6.189 1.00 0.00 H new ATOM 1041 N MET A 67 -2.389 1.937 -4.972 1.00 0.00 N ATOM 1042 CA MET A 67 -3.819 1.970 -4.706 1.00 0.00 C ATOM 1043 C MET A 67 -4.632 1.437 -5.875 1.00 0.00 C ATOM 1044 O MET A 67 -4.372 1.764 -7.032 1.00 0.00 O ATOM 1045 CB MET A 67 -4.278 3.393 -4.375 1.00 0.00 C ATOM 1046 CG MET A 67 -3.728 3.930 -3.063 1.00 0.00 C ATOM 1047 SD MET A 67 -4.312 5.599 -2.704 1.00 0.00 S ATOM 1048 CE MET A 67 -3.407 5.957 -1.201 1.00 0.00 C ATOM 0 H MET A 67 -2.082 2.533 -5.741 1.00 0.00 H new ATOM 0 HA MET A 67 -3.992 1.321 -3.847 1.00 0.00 H new ATOM 0 HB2 MET A 67 -3.976 4.059 -5.184 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.367 3.413 -4.336 1.00 0.00 H new ATOM 0 HG2 MET A 67 -4.018 3.264 -2.251 1.00 0.00 H new ATOM 0 HG3 MET A 67 -2.639 3.930 -3.102 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.661 6.958 -0.853 1.00 0.00 H new ATOM 0 HE2 MET A 67 -3.671 5.228 -0.435 1.00 0.00 H new ATOM 0 HE3 MET A 67 -2.337 5.903 -1.399 1.00 0.00 H new ATOM 1058 N GLU A 68 -5.605 0.604 -5.547 1.00 0.00 N ATOM 1059 CA GLU A 68 -6.620 0.164 -6.489 1.00 0.00 C ATOM 1060 C GLU A 68 -7.983 0.548 -5.951 1.00 0.00 C ATOM 1061 O GLU A 68 -8.262 0.348 -4.778 1.00 0.00 O ATOM 1062 CB GLU A 68 -6.605 -1.345 -6.674 1.00 0.00 C ATOM 1063 CG GLU A 68 -5.342 -1.925 -7.275 1.00 0.00 C ATOM 1064 CD GLU A 68 -5.473 -3.423 -7.441 1.00 0.00 C ATOM 1065 OE1 GLU A 68 -6.617 -3.897 -7.634 1.00 0.00 O ATOM 1066 OE2 GLU A 68 -4.462 -4.142 -7.336 1.00 0.00 O ATOM 0 H GLU A 68 -5.714 0.211 -4.612 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.412 0.638 -7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.770 -1.812 -5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.447 -1.622 -7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.147 -1.462 -8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.490 -1.697 -6.635 1.00 0.00 H new ATOM 1073 N ASP A 69 -8.841 1.061 -6.796 1.00 0.00 N ATOM 1074 CA ASP A 69 -10.148 1.511 -6.347 1.00 0.00 C ATOM 1075 C ASP A 69 -11.234 0.532 -6.785 1.00 0.00 C ATOM 1076 O ASP A 69 -11.522 0.406 -7.975 1.00 0.00 O ATOM 1077 CB ASP A 69 -10.431 2.908 -6.893 1.00 0.00 C ATOM 1078 CG ASP A 69 -11.535 3.620 -6.141 1.00 0.00 C ATOM 1079 OD1 ASP A 69 -12.691 3.149 -6.170 1.00 0.00 O ATOM 1080 OD2 ASP A 69 -11.251 4.670 -5.531 1.00 0.00 O ATOM 0 H ASP A 69 -8.666 1.180 -7.794 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.151 1.552 -5.258 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.520 3.504 -6.842 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -10.704 2.833 -7.945 1.00 0.00 H new ATOM 1085 N HIS A 70 -11.808 -0.182 -5.818 1.00 0.00 N ATOM 1086 CA HIS A 70 -12.869 -1.157 -6.089 1.00 0.00 C ATOM 1087 C HIS A 70 -13.976 -1.002 -5.063 1.00 0.00 C ATOM 1088 O HIS A 70 -14.458 -1.982 -4.495 1.00 0.00 O ATOM 1089 CB HIS A 70 -12.352 -2.601 -6.014 1.00 0.00 C ATOM 1090 CG HIS A 70 -11.165 -2.912 -6.867 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -11.252 -3.585 -8.063 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -9.850 -2.683 -6.661 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -10.044 -3.761 -8.557 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -9.171 -3.223 -7.727 1.00 0.00 N ATOM 0 H HIS A 70 -11.556 -0.104 -4.833 1.00 0.00 H new ATOM 0 HA HIS A 70 -13.236 -0.965 -7.097 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.099 -2.823 -4.977 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -13.163 -3.272 -6.295 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.413 -2.171 -5.816 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.808 -4.261 -9.485 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -8.159 -3.210 -7.855 1.00 0.00 H new ATOM 1103 N ARG A 71 -14.370 0.227 -4.824 1.00 0.00 N ATOM 1104 CA ARG A 71 -15.287 0.529 -3.738 1.00 0.00 C ATOM 1105 C ARG A 71 -16.670 -0.057 -3.983 1.00 0.00 C ATOM 1106 O ARG A 71 -17.243 -0.683 -3.099 1.00 0.00 O ATOM 1107 CB ARG A 71 -15.332 2.033 -3.483 1.00 0.00 C ATOM 1108 CG ARG A 71 -14.047 2.525 -2.838 1.00 0.00 C ATOM 1109 CD ARG A 71 -13.951 4.035 -2.764 1.00 0.00 C ATOM 1110 NE ARG A 71 -13.791 4.635 -4.085 1.00 0.00 N ATOM 1111 CZ ARG A 71 -14.028 5.915 -4.359 1.00 0.00 C ATOM 1112 NH1 ARG A 71 -14.464 6.739 -3.414 1.00 0.00 N ATOM 1113 NH2 ARG A 71 -13.815 6.372 -5.584 1.00 0.00 N ATOM 0 H ARG A 71 -14.072 1.039 -5.365 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.912 0.050 -2.834 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -15.493 2.558 -4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -16.178 2.269 -2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.974 2.114 -1.831 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -13.196 2.141 -3.401 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -14.848 4.433 -2.291 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -13.107 4.315 -2.133 1.00 0.00 H new ATOM 0 HE ARG A 71 -13.477 4.034 -4.847 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -14.620 6.392 -2.468 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -14.643 7.719 -3.634 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.471 5.744 -6.310 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.995 7.352 -5.801 1.00 0.00 H new ATOM 1127 N ASP A 72 -17.188 0.084 -5.186 1.00 0.00 N ATOM 1128 CA ASP A 72 -18.487 -0.499 -5.502 1.00 0.00 C ATOM 1129 C ASP A 72 -18.312 -1.930 -6.022 1.00 0.00 C ATOM 1130 O ASP A 72 -19.193 -2.488 -6.678 1.00 0.00 O ATOM 1131 CB ASP A 72 -19.249 0.371 -6.513 1.00 0.00 C ATOM 1132 CG ASP A 72 -18.672 0.330 -7.919 1.00 0.00 C ATOM 1133 OD1 ASP A 72 -17.662 1.016 -8.171 1.00 0.00 O ATOM 1134 OD2 ASP A 72 -19.243 -0.368 -8.784 1.00 0.00 O ATOM 0 H ASP A 72 -16.743 0.587 -5.953 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.082 -0.537 -4.589 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.288 0.045 -6.548 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -19.250 1.403 -6.161 1.00 0.00 H new ATOM 1139 N GLU A 73 -17.173 -2.527 -5.680 1.00 0.00 N ATOM 1140 CA GLU A 73 -16.809 -3.866 -6.140 1.00 0.00 C ATOM 1141 C GLU A 73 -16.727 -4.868 -4.991 1.00 0.00 C ATOM 1142 O GLU A 73 -16.697 -6.076 -5.224 1.00 0.00 O ATOM 1143 CB GLU A 73 -15.454 -3.802 -6.833 1.00 0.00 C ATOM 1144 CG GLU A 73 -15.534 -3.801 -8.348 1.00 0.00 C ATOM 1145 CD GLU A 73 -14.195 -3.510 -8.987 1.00 0.00 C ATOM 1146 OE1 GLU A 73 -13.836 -2.324 -9.107 1.00 0.00 O ATOM 1147 OE2 GLU A 73 -13.481 -4.464 -9.359 1.00 0.00 O ATOM 0 H GLU A 73 -16.474 -2.096 -5.075 1.00 0.00 H new ATOM 0 HA GLU A 73 -17.586 -4.204 -6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.933 -2.902 -6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.853 -4.653 -6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.897 -4.769 -8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.260 -3.055 -8.672 1.00 0.00 H new ATOM 1154 N ASP A 74 -16.692 -4.337 -3.764 1.00 0.00 N ATOM 1155 CA ASP A 74 -16.465 -5.108 -2.524 1.00 0.00 C ATOM 1156 C ASP A 74 -15.209 -5.994 -2.584 1.00 0.00 C ATOM 1157 O ASP A 74 -14.541 -6.078 -3.611 1.00 0.00 O ATOM 1158 CB ASP A 74 -17.709 -5.894 -2.051 1.00 0.00 C ATOM 1159 CG ASP A 74 -18.207 -6.972 -2.993 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -17.701 -8.115 -2.929 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -19.149 -6.692 -3.768 1.00 0.00 O ATOM 0 H ASP A 74 -16.823 -3.340 -3.595 1.00 0.00 H new ATOM 0 HA ASP A 74 -16.275 -4.355 -1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -17.480 -6.355 -1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.519 -5.185 -1.879 1.00 0.00 H new ATOM 1166 N PHE A 75 -14.889 -6.630 -1.456 1.00 0.00 N ATOM 1167 CA PHE A 75 -13.564 -7.222 -1.227 1.00 0.00 C ATOM 1168 C PHE A 75 -13.163 -8.262 -2.282 1.00 0.00 C ATOM 1169 O PHE A 75 -13.725 -9.359 -2.358 1.00 0.00 O ATOM 1170 CB PHE A 75 -13.501 -7.839 0.175 1.00 0.00 C ATOM 1171 CG PHE A 75 -12.105 -8.109 0.684 1.00 0.00 C ATOM 1172 CD1 PHE A 75 -11.009 -7.459 0.140 1.00 0.00 C ATOM 1173 CD2 PHE A 75 -11.895 -8.988 1.732 1.00 0.00 C ATOM 1174 CE1 PHE A 75 -9.736 -7.677 0.630 1.00 0.00 C ATOM 1175 CE2 PHE A 75 -10.624 -9.211 2.220 1.00 0.00 C ATOM 1176 CZ PHE A 75 -9.546 -8.557 1.666 1.00 0.00 C ATOM 0 H PHE A 75 -15.536 -6.751 -0.677 1.00 0.00 H new ATOM 0 HA PHE A 75 -12.844 -6.408 -1.313 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -14.005 -7.171 0.874 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -14.059 -8.775 0.170 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -11.152 -6.771 -0.680 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -12.735 -9.505 2.172 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.893 -7.157 0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.474 -9.900 3.038 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.551 -8.737 2.047 1.00 0.00 H new ATOM 1186 N VAL A 76 -12.178 -7.881 -3.081 1.00 0.00 N ATOM 1187 CA VAL A 76 -11.518 -8.763 -4.026 1.00 0.00 C ATOM 1188 C VAL A 76 -9.996 -8.569 -3.915 1.00 0.00 C ATOM 1189 O VAL A 76 -9.397 -7.672 -4.514 1.00 0.00 O ATOM 1190 CB VAL A 76 -12.014 -8.513 -5.467 1.00 0.00 C ATOM 1191 CG1 VAL A 76 -11.740 -7.089 -5.927 1.00 0.00 C ATOM 1192 CG2 VAL A 76 -11.413 -9.523 -6.430 1.00 0.00 C ATOM 0 H VAL A 76 -11.809 -6.930 -3.089 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.764 -9.797 -3.784 1.00 0.00 H new ATOM 0 HB VAL A 76 -13.096 -8.645 -5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -12.106 -6.959 -6.946 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -12.250 -6.389 -5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.667 -6.898 -5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.778 -9.326 -7.438 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -10.326 -9.439 -6.414 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.703 -10.530 -6.129 1.00 0.00 H new ATOM 1202 N LYS A 77 -9.377 -9.412 -3.122 1.00 0.00 N ATOM 1203 CA LYS A 77 -8.000 -9.196 -2.706 1.00 0.00 C ATOM 1204 C LYS A 77 -7.010 -9.814 -3.694 1.00 0.00 C ATOM 1205 O LYS A 77 -7.383 -10.657 -4.513 1.00 0.00 O ATOM 1206 CB LYS A 77 -7.817 -9.791 -1.317 1.00 0.00 C ATOM 1207 CG LYS A 77 -7.927 -11.306 -1.286 1.00 0.00 C ATOM 1208 CD LYS A 77 -8.474 -11.812 0.038 1.00 0.00 C ATOM 1209 CE LYS A 77 -9.981 -11.645 0.109 1.00 0.00 C ATOM 1210 NZ LYS A 77 -10.547 -12.246 1.346 1.00 0.00 N ATOM 0 H LYS A 77 -9.803 -10.260 -2.747 1.00 0.00 H new ATOM 0 HA LYS A 77 -7.797 -8.125 -2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.841 -9.498 -0.931 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.565 -9.367 -0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.575 -11.639 -2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.945 -11.744 -1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.216 -12.864 0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.006 -11.269 0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.231 -10.585 0.073 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.440 -12.110 -0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.581 -12.310 1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.151 -13.198 1.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.305 -11.650 2.164 1.00 0.00 H new ATOM 1224 N PRO A 78 -5.724 -9.402 -3.634 1.00 0.00 N ATOM 1225 CA PRO A 78 -4.686 -9.931 -4.520 1.00 0.00 C ATOM 1226 C PRO A 78 -4.239 -11.305 -4.064 1.00 0.00 C ATOM 1227 O PRO A 78 -3.672 -12.082 -4.825 1.00 0.00 O ATOM 1228 CB PRO A 78 -3.567 -8.915 -4.374 1.00 0.00 C ATOM 1229 CG PRO A 78 -3.684 -8.498 -2.967 1.00 0.00 C ATOM 1230 CD PRO A 78 -5.159 -8.406 -2.696 1.00 0.00 C ATOM 0 HA PRO A 78 -5.018 -10.058 -5.550 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.592 -9.354 -4.586 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.693 -8.074 -5.056 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -3.207 -9.219 -2.303 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.194 -7.539 -2.800 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.396 -8.646 -1.659 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -5.544 -7.405 -2.888 1.00 0.00 H new ATOM 1238 N LYS A 79 -4.522 -11.577 -2.803 1.00 0.00 N ATOM 1239 CA LYS A 79 -4.255 -12.860 -2.198 1.00 0.00 C ATOM 1240 C LYS A 79 -5.425 -13.801 -2.444 1.00 0.00 C ATOM 1241 O LYS A 79 -6.282 -13.997 -1.581 1.00 0.00 O ATOM 1242 CB LYS A 79 -3.980 -12.685 -0.699 1.00 0.00 C ATOM 1243 CG LYS A 79 -4.816 -11.599 -0.015 1.00 0.00 C ATOM 1244 CD LYS A 79 -4.438 -11.469 1.454 1.00 0.00 C ATOM 1245 CE LYS A 79 -2.947 -11.209 1.620 1.00 0.00 C ATOM 1246 NZ LYS A 79 -2.548 -11.131 3.048 1.00 0.00 N ATOM 0 H LYS A 79 -4.948 -10.903 -2.167 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.367 -13.301 -2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.163 -13.635 -0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.924 -12.451 -0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.664 -10.645 -0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.875 -11.841 -0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.004 -10.655 1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.712 -12.381 1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.384 -12.004 1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.684 -10.277 1.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.527 -11.310 3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.766 -10.184 3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.071 -11.845 3.594 1.00 0.00 H new ATOM 1260 N GLY A 80 -5.458 -14.364 -3.641 1.00 0.00 N ATOM 1261 CA GLY A 80 -6.554 -15.219 -4.036 1.00 0.00 C ATOM 1262 C GLY A 80 -6.981 -14.961 -5.464 1.00 0.00 C ATOM 1263 O GLY A 80 -6.867 -15.841 -6.320 1.00 0.00 O ATOM 0 H GLY A 80 -4.737 -14.242 -4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.258 -16.263 -3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.400 -15.057 -3.369 1.00 0.00 H new ATOM 1267 N ALA A 81 -7.457 -13.748 -5.728 1.00 0.00 N ATOM 1268 CA ALA A 81 -7.896 -13.379 -7.067 1.00 0.00 C ATOM 1269 C ALA A 81 -6.701 -13.035 -7.947 1.00 0.00 C ATOM 1270 O ALA A 81 -6.570 -13.547 -9.057 1.00 0.00 O ATOM 1271 CB ALA A 81 -8.875 -12.216 -7.011 1.00 0.00 C ATOM 0 H ALA A 81 -7.548 -13.006 -5.034 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.409 -14.234 -7.506 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.190 -11.957 -8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.746 -12.502 -6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.391 -11.355 -6.550 1.00 0.00 H new ATOM 1277 N PHE A 82 -5.849 -12.137 -7.439 1.00 0.00 N ATOM 1278 CA PHE A 82 -4.540 -11.838 -8.041 1.00 0.00 C ATOM 1279 C PHE A 82 -4.648 -11.065 -9.366 1.00 0.00 C ATOM 1280 O PHE A 82 -3.645 -10.566 -9.877 1.00 0.00 O ATOM 1281 CB PHE A 82 -3.747 -13.144 -8.237 1.00 0.00 C ATOM 1282 CG PHE A 82 -2.342 -12.954 -8.742 1.00 0.00 C ATOM 1283 CD1 PHE A 82 -1.370 -12.390 -7.932 1.00 0.00 C ATOM 1284 CD2 PHE A 82 -1.998 -13.341 -10.027 1.00 0.00 C ATOM 1285 CE1 PHE A 82 -0.080 -12.216 -8.395 1.00 0.00 C ATOM 1286 CE2 PHE A 82 -0.710 -13.169 -10.495 1.00 0.00 C ATOM 1287 CZ PHE A 82 0.250 -12.607 -9.679 1.00 0.00 C ATOM 0 H PHE A 82 -6.046 -11.595 -6.598 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.009 -11.184 -7.349 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.709 -13.676 -7.287 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -4.288 -13.780 -8.937 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.623 -12.083 -6.928 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.745 -13.782 -10.670 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.670 -11.775 -7.755 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.455 -13.474 -11.499 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.258 -12.473 -10.043 1.00 0.00 H new ATOM 1297 N LYS A 83 -5.858 -10.938 -9.904 1.00 0.00 N ATOM 1298 CA LYS A 83 -6.056 -10.302 -11.209 1.00 0.00 C ATOM 1299 C LYS A 83 -5.667 -8.821 -11.204 1.00 0.00 C ATOM 1300 O LYS A 83 -5.293 -8.273 -12.242 1.00 0.00 O ATOM 1301 CB LYS A 83 -7.506 -10.464 -11.681 1.00 0.00 C ATOM 1302 CG LYS A 83 -8.542 -9.904 -10.715 1.00 0.00 C ATOM 1303 CD LYS A 83 -9.943 -9.958 -11.302 1.00 0.00 C ATOM 1304 CE LYS A 83 -10.064 -9.078 -12.535 1.00 0.00 C ATOM 1305 NZ LYS A 83 -11.420 -9.140 -13.134 1.00 0.00 N ATOM 0 H LYS A 83 -6.716 -11.265 -9.460 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.393 -10.812 -11.908 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.620 -9.969 -12.646 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.709 -11.523 -11.840 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.515 -10.470 -9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.290 -8.873 -10.468 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.190 -10.987 -11.562 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.666 -9.637 -10.552 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.833 -8.047 -12.268 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.327 -9.388 -13.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.458 -8.525 -13.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.632 -10.119 -13.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.122 -8.819 -12.437 1.00 0.00 H new ATOM 1319 N ALA A 84 -5.771 -8.186 -10.034 1.00 0.00 N ATOM 1320 CA ALA A 84 -5.372 -6.787 -9.854 1.00 0.00 C ATOM 1321 C ALA A 84 -6.197 -5.842 -10.728 1.00 0.00 C ATOM 1322 O ALA A 84 -7.254 -6.215 -11.246 1.00 0.00 O ATOM 1323 CB ALA A 84 -3.885 -6.621 -10.146 1.00 0.00 C ATOM 0 H ALA A 84 -6.133 -8.625 -9.187 1.00 0.00 H new ATOM 0 HA ALA A 84 -5.564 -6.520 -8.815 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.602 -5.578 -10.009 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.308 -7.246 -9.464 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.680 -6.920 -11.174 1.00 0.00 H new ATOM 1329 N PHE A 85 -5.718 -4.610 -10.859 1.00 0.00 N ATOM 1330 CA PHE A 85 -6.343 -3.610 -11.716 1.00 0.00 C ATOM 1331 C PHE A 85 -5.398 -2.430 -11.899 1.00 0.00 C ATOM 1332 O PHE A 85 -4.997 -1.795 -10.927 1.00 0.00 O ATOM 1333 CB PHE A 85 -7.670 -3.132 -11.113 1.00 0.00 C ATOM 1334 CG PHE A 85 -8.382 -2.106 -11.952 1.00 0.00 C ATOM 1335 CD1 PHE A 85 -8.973 -2.463 -13.154 1.00 0.00 C ATOM 1336 CD2 PHE A 85 -8.455 -0.785 -11.541 1.00 0.00 C ATOM 1337 CE1 PHE A 85 -9.625 -1.522 -13.928 1.00 0.00 C ATOM 1338 CE2 PHE A 85 -9.105 0.161 -12.311 1.00 0.00 C ATOM 1339 CZ PHE A 85 -9.691 -0.208 -13.506 1.00 0.00 C ATOM 0 H PHE A 85 -4.885 -4.277 -10.374 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.551 -4.061 -12.686 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.325 -3.992 -10.973 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.479 -2.712 -10.125 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.923 -3.488 -13.489 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.998 -0.491 -10.608 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.083 -1.813 -14.862 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.155 1.187 -11.979 1.00 0.00 H new ATOM 0 HZ PHE A 85 -10.200 0.529 -14.109 1.00 0.00 H new ATOM 1349 N THR A 86 -5.032 -2.156 -13.142 1.00 0.00 N ATOM 1350 CA THR A 86 -4.114 -1.071 -13.442 1.00 0.00 C ATOM 1351 C THR A 86 -4.866 0.235 -13.691 1.00 0.00 C ATOM 1352 O THR A 86 -4.686 1.203 -12.959 1.00 0.00 O ATOM 1353 CB THR A 86 -3.241 -1.415 -14.660 1.00 0.00 C ATOM 1354 OG1 THR A 86 -4.063 -1.898 -15.732 1.00 0.00 O ATOM 1355 CG2 THR A 86 -2.201 -2.463 -14.298 1.00 0.00 C ATOM 0 H THR A 86 -5.358 -2.672 -13.959 1.00 0.00 H new ATOM 0 HA THR A 86 -3.469 -0.937 -12.574 1.00 0.00 H new ATOM 0 HB THR A 86 -2.726 -0.509 -14.980 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.500 -2.113 -16.505 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.594 -2.692 -15.174 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.561 -2.081 -13.503 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.701 -3.369 -13.957 1.00 0.00 H new ATOM 1363 N GLY A 87 -5.698 0.253 -14.730 1.00 0.00 N ATOM 1364 CA GLY A 87 -6.524 1.417 -15.017 1.00 0.00 C ATOM 1365 C GLY A 87 -5.708 2.676 -15.252 1.00 0.00 C ATOM 1366 O GLY A 87 -5.695 3.573 -14.407 1.00 0.00 O ATOM 0 H GLY A 87 -5.816 -0.522 -15.382 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.134 1.215 -15.898 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.209 1.584 -14.186 1.00 0.00 H new ATOM 1370 N GLU A 88 -5.014 2.723 -16.396 1.00 0.00 N ATOM 1371 CA GLU A 88 -4.162 3.861 -16.782 1.00 0.00 C ATOM 1372 C GLU A 88 -2.879 3.913 -15.945 1.00 0.00 C ATOM 1373 O GLU A 88 -1.791 4.156 -16.470 1.00 0.00 O ATOM 1374 CB GLU A 88 -4.913 5.193 -16.656 1.00 0.00 C ATOM 1375 CG GLU A 88 -6.175 5.280 -17.502 1.00 0.00 C ATOM 1376 CD GLU A 88 -6.923 6.576 -17.281 1.00 0.00 C ATOM 1377 OE1 GLU A 88 -7.686 6.666 -16.298 1.00 0.00 O ATOM 1378 OE2 GLU A 88 -6.747 7.517 -18.085 1.00 0.00 O ATOM 0 H GLU A 88 -5.026 1.971 -17.085 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.891 3.709 -17.827 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.178 5.350 -15.611 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.242 6.004 -16.940 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.911 5.190 -18.556 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.828 4.440 -17.264 1.00 0.00 H new ATOM 1385 N GLY A 89 -3.016 3.688 -14.648 1.00 0.00 N ATOM 1386 CA GLY A 89 -1.888 3.728 -13.742 1.00 0.00 C ATOM 1387 C GLY A 89 -2.357 3.719 -12.306 1.00 0.00 C ATOM 1388 O GLY A 89 -1.747 3.083 -11.445 1.00 0.00 O ATOM 0 H GLY A 89 -3.907 3.474 -14.200 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.239 2.871 -13.923 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.295 4.623 -13.931 1.00 0.00 H new ATOM 1392 N GLN A 90 -3.448 4.446 -12.066 1.00 0.00 N ATOM 1393 CA GLN A 90 -4.145 4.435 -10.785 1.00 0.00 C ATOM 1394 C GLN A 90 -3.208 4.810 -9.637 1.00 0.00 C ATOM 1395 O GLN A 90 -2.891 3.993 -8.771 1.00 0.00 O ATOM 1396 CB GLN A 90 -4.780 3.062 -10.553 1.00 0.00 C ATOM 1397 CG GLN A 90 -5.930 3.068 -9.559 1.00 0.00 C ATOM 1398 CD GLN A 90 -6.656 1.738 -9.515 1.00 0.00 C ATOM 1399 OE1 GLN A 90 -7.857 1.676 -9.243 1.00 0.00 O ATOM 1400 NE2 GLN A 90 -5.932 0.663 -9.781 1.00 0.00 N ATOM 0 H GLN A 90 -3.873 5.061 -12.760 1.00 0.00 H new ATOM 0 HA GLN A 90 -4.934 5.187 -10.813 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.140 2.675 -11.506 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.012 2.374 -10.199 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.548 3.305 -8.566 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.634 3.856 -9.826 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.941 0.758 -10.002 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.365 -0.260 -9.766 1.00 0.00 H new ATOM 1409 N LYS A 91 -2.738 6.048 -9.671 1.00 0.00 N ATOM 1410 CA LYS A 91 -1.962 6.620 -8.580 1.00 0.00 C ATOM 1411 C LYS A 91 -1.835 8.121 -8.795 1.00 0.00 C ATOM 1412 O LYS A 91 -2.050 8.904 -7.868 1.00 0.00 O ATOM 1413 CB LYS A 91 -0.583 5.943 -8.453 1.00 0.00 C ATOM 1414 CG LYS A 91 0.294 6.051 -9.691 1.00 0.00 C ATOM 1415 CD LYS A 91 1.491 5.114 -9.623 1.00 0.00 C ATOM 1416 CE LYS A 91 1.160 3.721 -10.148 1.00 0.00 C ATOM 1417 NZ LYS A 91 0.158 3.013 -9.306 1.00 0.00 N ATOM 0 H LYS A 91 -2.883 6.684 -10.455 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.481 6.440 -7.638 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.053 6.385 -7.609 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.731 4.889 -8.220 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.298 5.820 -10.576 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.643 7.078 -9.800 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.313 5.534 -10.203 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.835 5.040 -8.591 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.780 3.802 -11.167 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.073 3.128 -10.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.156 2.001 -9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.403 3.130 -8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.786 3.412 -9.480 1.00 0.00 H new ATOM 1431 N LEU A 92 -1.513 8.504 -10.038 1.00 0.00 N ATOM 1432 CA LEU A 92 -1.529 9.904 -10.471 1.00 0.00 C ATOM 1433 C LEU A 92 -0.840 10.824 -9.464 1.00 0.00 C ATOM 1434 O LEU A 92 -1.377 11.866 -9.084 1.00 0.00 O ATOM 1435 CB LEU A 92 -2.976 10.348 -10.701 1.00 0.00 C ATOM 1436 CG LEU A 92 -3.731 9.567 -11.779 1.00 0.00 C ATOM 1437 CD1 LEU A 92 -5.185 10.003 -11.830 1.00 0.00 C ATOM 1438 CD2 LEU A 92 -3.073 9.758 -13.138 1.00 0.00 C ATOM 0 H LEU A 92 -1.234 7.851 -10.770 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.969 9.977 -11.403 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.521 10.259 -9.761 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.977 11.404 -10.971 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.695 8.508 -11.524 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.707 9.438 -12.602 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -5.655 9.818 -10.864 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.238 11.067 -12.061 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.624 9.195 -13.891 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.079 10.816 -13.399 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.044 9.400 -13.098 1.00 0.00 H new ATOM 1450 N GLY A 93 0.346 10.427 -9.033 1.00 0.00 N ATOM 1451 CA GLY A 93 1.069 11.199 -8.051 1.00 0.00 C ATOM 1452 C GLY A 93 2.431 10.614 -7.767 1.00 0.00 C ATOM 1453 O GLY A 93 3.185 10.325 -8.697 1.00 0.00 O ATOM 0 H GLY A 93 0.821 9.581 -9.348 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.181 12.224 -8.405 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.493 11.242 -7.127 1.00 0.00 H new ATOM 1457 N SER A 94 2.733 10.423 -6.485 1.00 0.00 N ATOM 1458 CA SER A 94 4.035 9.917 -6.059 1.00 0.00 C ATOM 1459 C SER A 94 5.143 10.827 -6.584 1.00 0.00 C ATOM 1460 O SER A 94 6.184 10.370 -7.054 1.00 0.00 O ATOM 1461 CB SER A 94 4.225 8.476 -6.545 1.00 0.00 C ATOM 1462 OG SER A 94 3.117 7.671 -6.173 1.00 0.00 O ATOM 0 H SER A 94 2.088 10.613 -5.718 1.00 0.00 H new ATOM 0 HA SER A 94 4.083 9.914 -4.970 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.341 8.465 -7.629 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.140 8.062 -6.122 1.00 0.00 H new ATOM 0 HG SER A 94 3.256 6.755 -6.493 1.00 0.00 H new ATOM 1468 N THR A 95 4.892 12.126 -6.496 1.00 0.00 N ATOM 1469 CA THR A 95 5.792 13.130 -7.032 1.00 0.00 C ATOM 1470 C THR A 95 7.030 13.297 -6.149 1.00 0.00 C ATOM 1471 O THR A 95 6.949 13.758 -5.008 1.00 0.00 O ATOM 1472 CB THR A 95 5.057 14.483 -7.207 1.00 0.00 C ATOM 1473 OG1 THR A 95 5.967 15.522 -7.588 1.00 0.00 O ATOM 1474 CG2 THR A 95 4.326 14.888 -5.935 1.00 0.00 C ATOM 0 H THR A 95 4.059 12.510 -6.051 1.00 0.00 H new ATOM 0 HA THR A 95 6.127 12.789 -8.011 1.00 0.00 H new ATOM 0 HB THR A 95 4.324 14.345 -8.002 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.477 16.364 -7.693 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.822 15.841 -6.093 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.590 14.126 -5.680 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.042 14.987 -5.120 1.00 0.00 H new ATOM 1482 N ALA A 96 8.173 12.884 -6.677 1.00 0.00 N ATOM 1483 CA ALA A 96 9.448 13.083 -6.006 1.00 0.00 C ATOM 1484 C ALA A 96 10.536 13.426 -7.024 1.00 0.00 C ATOM 1485 O ALA A 96 11.539 12.717 -7.142 1.00 0.00 O ATOM 1486 CB ALA A 96 9.824 11.843 -5.211 1.00 0.00 C ATOM 0 H ALA A 96 8.243 12.405 -7.575 1.00 0.00 H new ATOM 0 HA ALA A 96 9.354 13.919 -5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.780 12.006 -4.714 1.00 0.00 H new ATOM 0 HB2 ALA A 96 9.056 11.643 -4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 96 9.906 10.990 -5.885 1.00 0.00 H new ATOM 1492 N PRO A 97 10.349 14.524 -7.777 1.00 0.00 N ATOM 1493 CA PRO A 97 11.273 14.936 -8.819 1.00 0.00 C ATOM 1494 C PRO A 97 12.329 15.899 -8.286 1.00 0.00 C ATOM 1495 O PRO A 97 12.588 15.948 -7.081 1.00 0.00 O ATOM 1496 CB PRO A 97 10.341 15.636 -9.805 1.00 0.00 C ATOM 1497 CG PRO A 97 9.267 16.244 -8.962 1.00 0.00 C ATOM 1498 CD PRO A 97 9.227 15.471 -7.663 1.00 0.00 C ATOM 0 HA PRO A 97 11.840 14.111 -9.250 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.872 16.397 -10.376 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.925 14.930 -10.524 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.474 17.298 -8.776 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.304 16.193 -9.470 1.00 0.00 H new ATOM 0 HD2 PRO A 97 9.347 16.130 -6.803 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.277 14.951 -7.537 1.00 0.00 H new ATOM 1506 N GLN A 98 12.935 16.664 -9.179 1.00 0.00 N ATOM 1507 CA GLN A 98 13.966 17.601 -8.781 1.00 0.00 C ATOM 1508 C GLN A 98 13.567 19.026 -9.141 1.00 0.00 C ATOM 1509 O GLN A 98 13.943 19.552 -10.189 1.00 0.00 O ATOM 1510 CB GLN A 98 15.306 17.234 -9.423 1.00 0.00 C ATOM 1511 CG GLN A 98 16.488 18.036 -8.894 1.00 0.00 C ATOM 1512 CD GLN A 98 16.614 17.970 -7.382 1.00 0.00 C ATOM 1513 OE1 GLN A 98 17.226 17.051 -6.839 1.00 0.00 O ATOM 1514 NE2 GLN A 98 16.062 18.959 -6.692 1.00 0.00 N ATOM 0 H GLN A 98 12.731 16.653 -10.178 1.00 0.00 H new ATOM 0 HA GLN A 98 14.080 17.544 -7.698 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.497 16.174 -9.259 1.00 0.00 H new ATOM 0 HB3 GLN A 98 15.233 17.382 -10.501 1.00 0.00 H new ATOM 0 HG2 GLN A 98 17.406 17.663 -9.347 1.00 0.00 H new ATOM 0 HG3 GLN A 98 16.381 19.077 -9.200 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.562 19.703 -7.178 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.137 18.975 -5.675 1.00 0.00 H new ATOM 1523 N VAL A 99 12.774 19.632 -8.274 1.00 0.00 N ATOM 1524 CA VAL A 99 12.453 21.044 -8.394 1.00 0.00 C ATOM 1525 C VAL A 99 13.526 21.849 -7.673 1.00 0.00 C ATOM 1526 O VAL A 99 14.201 22.688 -8.265 1.00 0.00 O ATOM 1527 CB VAL A 99 11.067 21.369 -7.793 1.00 0.00 C ATOM 1528 CG1 VAL A 99 10.742 22.848 -7.950 1.00 0.00 C ATOM 1529 CG2 VAL A 99 9.988 20.513 -8.437 1.00 0.00 C ATOM 0 H VAL A 99 12.339 19.167 -7.477 1.00 0.00 H new ATOM 0 HA VAL A 99 12.421 21.305 -9.452 1.00 0.00 H new ATOM 0 HB VAL A 99 11.097 21.139 -6.728 1.00 0.00 H new ATOM 0 HG11 VAL A 99 9.762 23.053 -7.520 1.00 0.00 H new ATOM 0 HG12 VAL A 99 11.496 23.443 -7.435 1.00 0.00 H new ATOM 0 HG13 VAL A 99 10.735 23.109 -9.008 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.020 20.758 -8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.961 20.707 -9.509 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.208 19.459 -8.265 1.00 0.00 H new ATOM 1539 N LEU A 100 13.679 21.553 -6.388 1.00 0.00 N ATOM 1540 CA LEU A 100 14.737 22.120 -5.561 1.00 0.00 C ATOM 1541 C LEU A 100 14.673 21.479 -4.186 1.00 0.00 C ATOM 1542 O LEU A 100 15.493 20.629 -3.844 1.00 0.00 O ATOM 1543 CB LEU A 100 14.609 23.636 -5.430 1.00 0.00 C ATOM 1544 CG LEU A 100 15.854 24.313 -4.861 1.00 0.00 C ATOM 1545 CD1 LEU A 100 16.948 24.399 -5.916 1.00 0.00 C ATOM 1546 CD2 LEU A 100 15.524 25.690 -4.311 1.00 0.00 C ATOM 0 H LEU A 100 13.068 20.908 -5.887 1.00 0.00 H new ATOM 0 HA LEU A 100 15.695 21.916 -6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 100 14.393 24.059 -6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 100 13.757 23.865 -4.790 1.00 0.00 H new ATOM 0 HG LEU A 100 16.222 23.703 -4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 100 17.826 24.884 -5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 100 17.213 23.395 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 100 16.589 24.979 -6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 100 16.429 26.149 -3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 100 15.122 26.314 -5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 100 14.784 25.597 -3.516 1.00 0.00 H new ATOM 1558 N SER A 101 13.670 21.870 -3.417 1.00 0.00 N ATOM 1559 CA SER A 101 13.418 21.275 -2.120 1.00 0.00 C ATOM 1560 C SER A 101 12.295 20.248 -2.229 1.00 0.00 C ATOM 1561 O SER A 101 11.126 20.547 -1.980 1.00 0.00 O ATOM 1562 CB SER A 101 13.069 22.372 -1.115 1.00 0.00 C ATOM 1563 OG SER A 101 12.178 23.319 -1.683 1.00 0.00 O ATOM 0 H SER A 101 13.012 22.605 -3.675 1.00 0.00 H new ATOM 0 HA SER A 101 14.313 20.760 -1.770 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.616 21.927 -0.229 1.00 0.00 H new ATOM 0 HB3 SER A 101 13.980 22.874 -0.789 1.00 0.00 H new ATOM 0 HG SER A 101 11.408 22.852 -2.071 1.00 0.00 H new ATOM 1569 N THR A 102 12.651 19.041 -2.630 1.00 0.00 N ATOM 1570 CA THR A 102 11.667 18.002 -2.868 1.00 0.00 C ATOM 1571 C THR A 102 12.155 16.668 -2.311 1.00 0.00 C ATOM 1572 O THR A 102 13.116 16.109 -2.881 1.00 0.00 O ATOM 1573 CB THR A 102 11.382 17.856 -4.376 1.00 0.00 C ATOM 1574 OG1 THR A 102 11.202 19.155 -4.963 1.00 0.00 O ATOM 1575 CG2 THR A 102 10.136 17.015 -4.608 1.00 0.00 C ATOM 1576 OXT THR A 102 11.591 16.193 -1.303 1.00 0.00 O ATOM 0 H THR A 102 13.616 18.756 -2.798 1.00 0.00 H new ATOM 0 HA THR A 102 10.746 18.288 -2.360 1.00 0.00 H new ATOM 0 HB THR A 102 12.232 17.357 -4.843 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.023 19.059 -5.922 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.952 16.924 -5.679 1.00 0.00 H new ATOM 0 HG22 THR A 102 10.281 16.023 -4.179 1.00 0.00 H new ATOM 0 HG23 THR A 102 9.280 17.494 -4.133 1.00 0.00 H new TER 1584 THR A 102