USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1075 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 126 HIS : no HD1:sc= -2.23 K(o=-2.7,f=-1.1) USER MOD Set 1.2: A 130 ASN : amide:sc= -0.505 K(o=-2.7,f=-1.1) USER MOD Set 2.1: A 70 SER OG : rot -174:sc= 1.02 USER MOD Set 2.2: A 81 THR OG1 : rot -63:sc= 1.3 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= -0.61 (180deg=-2.46!) USER MOD Single : A 2 THR OG1 : rot -72:sc= 1.13 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 170:sc= -1.33 USER MOD Single : A 26 THR OG1 : rot -97:sc= 1.27 USER MOD Single : A 27 SER OG : rot -61:sc= 1.15 USER MOD Single : A 35 MET CE :methyl 167:sc= -4.97! (180deg=-5.55!) USER MOD Single : A 37 ASN : amide:sc= -3.7! C(o=-3.7!,f=-9.5!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0.334 K(o=0.33,f=-4.5!) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 48 HIS : no HD1:sc= -0.0585 X(o=-0.058,f=-0.49) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -77:sc= 0.998 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot -16:sc= -1.98 USER MOD Single : A 59 GLN : amide:sc= -0.626 K(o=-0.63,f=0.021) USER MOD Single : A 61 THR OG1 : rot -160:sc= -1.14 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -91:sc= 1.62 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00934 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.6 K(o=-0.6,f=-0.081) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.23 K(o=-0.23,f=-2.2!) USER MOD Single : A 91 THR OG1 : rot 99:sc= 1.26 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.963 USER MOD Single : A 97 HIS : no HE2:sc= -0.628 X(o=-0.63,f=-0.78) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -0.0468 X(o=-0.047,f=0) USER MOD Single : A 105 THR OG1 : rot 39:sc= -0.0202 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -173:sc= 0.338 (180deg=0.275) USER MOD Single : A 114 SER OG : rot 180:sc= -0.0924 USER MOD Single : A 118 HIS : no HD1:sc= -3.34! C(o=-3.3!,f=-8.9!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.503 17.423 -17.431 1.00 0.00 N ATOM 2 CA MET A 1 -3.754 17.423 -18.677 1.00 0.00 C ATOM 3 C MET A 1 -4.408 16.503 -19.709 1.00 0.00 C ATOM 4 O MET A 1 -5.091 16.971 -20.619 1.00 0.00 O ATOM 5 CB MET A 1 -2.321 16.956 -18.412 1.00 0.00 C ATOM 6 CG MET A 1 -2.276 15.956 -17.255 1.00 0.00 C ATOM 7 SD MET A 1 -1.190 14.600 -17.662 1.00 0.00 S ATOM 8 CE MET A 1 -1.057 13.817 -16.064 1.00 0.00 C ATOM 0 H1 MET A 1 -3.883 17.728 -16.653 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.307 18.078 -17.509 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.855 16.464 -17.238 1.00 0.00 H new ATOM 0 HA MET A 1 -3.747 18.438 -19.075 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.912 16.496 -19.312 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.692 17.815 -18.180 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.928 16.452 -16.349 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.278 15.581 -17.049 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.408 12.944 -16.139 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.635 14.522 -15.347 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.046 13.506 -15.728 1.00 0.00 H new ATOM 18 N THR A 2 -4.177 15.210 -19.534 1.00 0.00 N ATOM 19 CA THR A 2 -4.735 14.221 -20.439 1.00 0.00 C ATOM 20 C THR A 2 -4.872 12.870 -19.734 1.00 0.00 C ATOM 21 O THR A 2 -4.686 11.822 -20.351 1.00 0.00 O ATOM 22 CB THR A 2 -3.851 14.168 -21.686 1.00 0.00 C ATOM 23 OG1 THR A 2 -4.366 13.068 -22.431 1.00 0.00 O ATOM 24 CG2 THR A 2 -2.411 13.760 -21.366 1.00 0.00 C ATOM 0 H THR A 2 -3.611 14.825 -18.778 1.00 0.00 H new ATOM 0 HA THR A 2 -5.743 14.494 -20.749 1.00 0.00 H new ATOM 0 HB THR A 2 -3.852 15.143 -22.173 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.122 12.229 -21.987 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.826 13.738 -22.286 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.974 14.481 -20.675 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.406 12.770 -20.909 1.00 0.00 H new ATOM 32 N ARG A 3 -5.195 12.938 -18.451 1.00 0.00 N ATOM 33 CA ARG A 3 -5.359 11.733 -17.655 1.00 0.00 C ATOM 34 C ARG A 3 -5.658 12.096 -16.199 1.00 0.00 C ATOM 35 O ARG A 3 -5.632 13.268 -15.829 1.00 0.00 O ATOM 36 CB ARG A 3 -4.102 10.863 -17.709 1.00 0.00 C ATOM 37 CG ARG A 3 -4.299 9.672 -18.649 1.00 0.00 C ATOM 38 CD ARG A 3 -3.650 8.410 -18.079 1.00 0.00 C ATOM 39 NE ARG A 3 -2.590 7.929 -18.994 1.00 0.00 N ATOM 40 CZ ARG A 3 -1.744 6.931 -18.705 1.00 0.00 C ATOM 41 NH1 ARG A 3 -1.829 6.301 -17.525 1.00 0.00 N ATOM 42 NH2 ARG A 3 -0.813 6.562 -19.595 1.00 0.00 N ATOM 0 H ARG A 3 -5.348 13.809 -17.943 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.195 11.171 -18.072 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.256 11.461 -18.047 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.860 10.505 -16.708 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.364 9.499 -18.804 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.867 9.898 -19.624 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.226 8.621 -17.097 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.403 7.634 -17.942 1.00 0.00 H new ATOM 0 HE ARG A 3 -2.498 8.386 -19.901 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.538 6.581 -16.847 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -1.185 5.541 -17.305 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -0.748 7.041 -20.493 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -0.169 5.802 -19.374 1.00 0.00 H new ATOM 56 N LEU A 4 -5.935 11.067 -15.411 1.00 0.00 N ATOM 57 CA LEU A 4 -6.238 11.262 -14.004 1.00 0.00 C ATOM 58 C LEU A 4 -4.935 11.266 -13.201 1.00 0.00 C ATOM 59 O LEU A 4 -3.947 10.661 -13.613 1.00 0.00 O ATOM 60 CB LEU A 4 -7.252 10.221 -13.525 1.00 0.00 C ATOM 61 CG LEU A 4 -8.719 10.516 -13.847 1.00 0.00 C ATOM 62 CD1 LEU A 4 -9.616 9.348 -13.433 1.00 0.00 C ATOM 63 CD2 LEU A 4 -9.165 11.835 -13.214 1.00 0.00 C ATOM 0 H LEU A 4 -5.956 10.095 -15.721 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.712 12.231 -13.848 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.990 9.259 -13.965 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.152 10.115 -12.445 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.816 10.629 -14.927 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.653 9.583 -13.673 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.314 8.449 -13.971 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.521 9.179 -12.360 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.211 12.021 -13.458 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.050 11.776 -12.132 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.552 12.649 -13.600 1.00 0.00 H new ATOM 75 N PRO A 5 -4.978 11.972 -12.040 1.00 0.00 N ATOM 76 CA PRO A 5 -3.813 12.062 -11.176 1.00 0.00 C ATOM 77 C PRO A 5 -3.593 10.755 -10.413 1.00 0.00 C ATOM 78 O PRO A 5 -4.549 10.046 -10.100 1.00 0.00 O ATOM 79 CB PRO A 5 -4.092 13.244 -10.262 1.00 0.00 C ATOM 80 CG PRO A 5 -5.592 13.480 -10.332 1.00 0.00 C ATOM 81 CD PRO A 5 -6.132 12.700 -11.520 1.00 0.00 C ATOM 0 HA PRO A 5 -2.888 12.215 -11.732 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.777 13.031 -9.240 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -3.542 14.127 -10.587 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -6.073 13.153 -9.410 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -5.806 14.543 -10.444 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.927 12.018 -11.218 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.552 13.366 -12.273 1.00 0.00 H new ATOM 89 N ASP A 6 -2.328 10.474 -10.136 1.00 0.00 N ATOM 90 CA ASP A 6 -1.971 9.263 -9.416 1.00 0.00 C ATOM 91 C ASP A 6 -2.272 9.453 -7.928 1.00 0.00 C ATOM 92 O ASP A 6 -2.520 10.571 -7.479 1.00 0.00 O ATOM 93 CB ASP A 6 -0.479 8.956 -9.561 1.00 0.00 C ATOM 94 CG ASP A 6 0.451 10.153 -9.353 1.00 0.00 C ATOM 95 OD1 ASP A 6 0.511 10.631 -8.200 1.00 0.00 O ATOM 96 OD2 ASP A 6 1.081 10.563 -10.352 1.00 0.00 O ATOM 0 H ASP A 6 -1.538 11.064 -10.397 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.551 8.439 -9.832 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.212 8.179 -8.845 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.303 8.547 -10.556 1.00 0.00 H new ATOM 101 N ILE A 7 -2.240 8.344 -7.204 1.00 0.00 N ATOM 102 CA ILE A 7 -2.506 8.374 -5.776 1.00 0.00 C ATOM 103 C ILE A 7 -1.201 8.135 -5.014 1.00 0.00 C ATOM 104 O ILE A 7 -0.940 7.023 -4.556 1.00 0.00 O ATOM 105 CB ILE A 7 -3.618 7.385 -5.418 1.00 0.00 C ATOM 106 CG1 ILE A 7 -4.985 7.914 -5.858 1.00 0.00 C ATOM 107 CG2 ILE A 7 -3.588 7.044 -3.927 1.00 0.00 C ATOM 108 CD1 ILE A 7 -6.033 6.800 -5.848 1.00 0.00 C ATOM 0 H ILE A 7 -2.034 7.418 -7.580 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.875 9.355 -5.477 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.441 6.459 -5.964 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.298 8.719 -5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.910 8.338 -6.859 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.388 6.340 -3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.627 6.595 -3.676 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.728 7.954 -3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.995 7.203 -6.165 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.728 6.008 -6.532 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.123 6.394 -4.840 1.00 0.00 H new ATOM 120 N LYS A 8 -0.417 9.196 -4.900 1.00 0.00 N ATOM 121 CA LYS A 8 0.854 9.116 -4.201 1.00 0.00 C ATOM 122 C LYS A 8 0.749 9.869 -2.873 1.00 0.00 C ATOM 123 O LYS A 8 0.422 11.054 -2.852 1.00 0.00 O ATOM 124 CB LYS A 8 1.992 9.608 -5.098 1.00 0.00 C ATOM 125 CG LYS A 8 3.245 9.915 -4.276 1.00 0.00 C ATOM 126 CD LYS A 8 4.439 10.211 -5.186 1.00 0.00 C ATOM 127 CE LYS A 8 5.048 11.577 -4.865 1.00 0.00 C ATOM 128 NZ LYS A 8 5.878 11.499 -3.642 1.00 0.00 N ATOM 0 H LYS A 8 -0.637 10.117 -5.280 1.00 0.00 H new ATOM 0 HA LYS A 8 1.092 8.079 -3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.221 8.851 -5.848 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.676 10.503 -5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.058 10.770 -3.626 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.477 9.068 -3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.194 9.435 -5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.121 10.186 -6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.656 11.917 -5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.255 12.312 -4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.284 12.434 -3.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.288 11.195 -2.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.646 10.812 -3.787 1.00 0.00 H new ATOM 142 N LYS A 9 1.033 9.149 -1.797 1.00 0.00 N ATOM 143 CA LYS A 9 0.975 9.735 -0.469 1.00 0.00 C ATOM 144 C LYS A 9 2.272 9.422 0.279 1.00 0.00 C ATOM 145 O LYS A 9 3.050 8.570 -0.149 1.00 0.00 O ATOM 146 CB LYS A 9 -0.285 9.272 0.266 1.00 0.00 C ATOM 147 CG LYS A 9 -1.545 9.640 -0.522 1.00 0.00 C ATOM 148 CD LYS A 9 -2.164 10.935 0.007 1.00 0.00 C ATOM 149 CE LYS A 9 -3.360 11.359 -0.847 1.00 0.00 C ATOM 150 NZ LYS A 9 -3.549 12.826 -0.781 1.00 0.00 N ATOM 0 H LYS A 9 1.304 8.166 -1.818 1.00 0.00 H new ATOM 0 HA LYS A 9 0.898 10.820 -0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.247 8.193 0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.323 9.730 1.254 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.297 9.756 -1.577 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.271 8.830 -0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.482 10.795 1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.415 11.727 0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.203 11.053 -1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.261 10.854 -0.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.365 13.098 -1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.720 13.110 0.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.695 13.302 -1.135 1.00 0.00 H new ATOM 164 N GLU A 10 2.466 10.127 1.384 1.00 0.00 N ATOM 165 CA GLU A 10 3.656 9.936 2.195 1.00 0.00 C ATOM 166 C GLU A 10 3.329 10.148 3.675 1.00 0.00 C ATOM 167 O GLU A 10 2.524 11.011 4.019 1.00 0.00 O ATOM 168 CB GLU A 10 4.784 10.866 1.744 1.00 0.00 C ATOM 169 CG GLU A 10 6.114 10.466 2.385 1.00 0.00 C ATOM 170 CD GLU A 10 6.420 11.339 3.603 1.00 0.00 C ATOM 171 OE1 GLU A 10 6.706 12.537 3.386 1.00 0.00 O ATOM 172 OE2 GLU A 10 6.361 10.789 4.724 1.00 0.00 O ATOM 0 H GLU A 10 1.818 10.832 1.737 1.00 0.00 H new ATOM 0 HA GLU A 10 4.001 8.911 2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.875 10.833 0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.542 11.894 2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.077 9.418 2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.917 10.561 1.654 1.00 0.00 H new ATOM 179 N VAL A 11 3.971 9.345 4.511 1.00 0.00 N ATOM 180 CA VAL A 11 3.759 9.434 5.945 1.00 0.00 C ATOM 181 C VAL A 11 5.080 9.164 6.670 1.00 0.00 C ATOM 182 O VAL A 11 5.994 8.570 6.100 1.00 0.00 O ATOM 183 CB VAL A 11 2.639 8.481 6.369 1.00 0.00 C ATOM 184 CG1 VAL A 11 1.274 9.165 6.278 1.00 0.00 C ATOM 185 CG2 VAL A 11 2.666 7.198 5.535 1.00 0.00 C ATOM 0 H VAL A 11 4.638 8.630 4.222 1.00 0.00 H new ATOM 0 HA VAL A 11 3.436 10.438 6.221 1.00 0.00 H new ATOM 0 HB VAL A 11 2.808 8.207 7.410 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.496 8.466 6.585 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.259 10.036 6.934 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.093 9.481 5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.860 6.538 5.856 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.534 7.446 4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.623 6.695 5.672 1.00 0.00 H new ATOM 195 N ARG A 12 5.137 9.613 7.915 1.00 0.00 N ATOM 196 CA ARG A 12 6.330 9.427 8.723 1.00 0.00 C ATOM 197 C ARG A 12 5.973 8.758 10.052 1.00 0.00 C ATOM 198 O ARG A 12 5.110 9.243 10.782 1.00 0.00 O ATOM 199 CB ARG A 12 7.020 10.764 9.002 1.00 0.00 C ATOM 200 CG ARG A 12 8.311 10.559 9.798 1.00 0.00 C ATOM 201 CD ARG A 12 8.441 11.603 10.909 1.00 0.00 C ATOM 202 NE ARG A 12 8.828 10.945 12.178 1.00 0.00 N ATOM 203 CZ ARG A 12 8.878 11.570 13.362 1.00 0.00 C ATOM 204 NH1 ARG A 12 8.567 12.870 13.448 1.00 0.00 N ATOM 205 NH2 ARG A 12 9.241 10.893 14.461 1.00 0.00 N ATOM 0 H ARG A 12 4.376 10.105 8.384 1.00 0.00 H new ATOM 0 HA ARG A 12 7.013 8.788 8.163 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.245 11.265 8.060 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.346 11.416 9.557 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.321 9.559 10.231 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.169 10.625 9.129 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.187 12.348 10.634 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.496 12.130 11.037 1.00 0.00 H new ATOM 0 HE ARG A 12 9.071 9.955 12.149 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.292 13.385 12.612 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.605 13.345 14.350 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.479 9.903 14.395 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.279 11.368 15.363 1.00 0.00 H new ATOM 219 N PHE A 13 6.655 7.655 10.325 1.00 0.00 N ATOM 220 CA PHE A 13 6.420 6.915 11.553 1.00 0.00 C ATOM 221 C PHE A 13 7.717 6.744 12.347 1.00 0.00 C ATOM 222 O PHE A 13 8.800 6.685 11.767 1.00 0.00 O ATOM 223 CB PHE A 13 5.896 5.535 11.151 1.00 0.00 C ATOM 224 CG PHE A 13 4.608 5.575 10.325 1.00 0.00 C ATOM 225 CD1 PHE A 13 3.653 6.503 10.600 1.00 0.00 C ATOM 226 CD2 PHE A 13 4.419 4.682 9.317 1.00 0.00 C ATOM 227 CE1 PHE A 13 2.457 6.540 9.834 1.00 0.00 C ATOM 228 CE2 PHE A 13 3.223 4.719 8.551 1.00 0.00 C ATOM 229 CZ PHE A 13 2.268 5.647 8.826 1.00 0.00 C ATOM 0 H PHE A 13 7.370 7.256 9.717 1.00 0.00 H new ATOM 0 HA PHE A 13 5.709 7.453 12.181 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.666 5.018 10.579 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.720 4.948 12.052 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.804 7.212 11.401 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.178 3.945 9.099 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.698 7.277 10.052 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.072 4.010 7.750 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.359 5.675 8.244 1.00 0.00 H new ATOM 239 N ASN A 14 7.563 6.669 13.660 1.00 0.00 N ATOM 240 CA ASN A 14 8.709 6.505 14.539 1.00 0.00 C ATOM 241 C ASN A 14 8.955 5.014 14.777 1.00 0.00 C ATOM 242 O ASN A 14 8.218 4.371 15.523 1.00 0.00 O ATOM 243 CB ASN A 14 8.460 7.166 15.897 1.00 0.00 C ATOM 244 CG ASN A 14 9.458 8.299 16.146 1.00 0.00 C ATOM 245 OD1 ASN A 14 10.570 8.303 15.646 1.00 0.00 O ATOM 246 ND2 ASN A 14 8.998 9.258 16.945 1.00 0.00 N ATOM 0 H ASN A 14 6.663 6.719 14.137 1.00 0.00 H new ATOM 0 HA ASN A 14 9.570 6.973 14.062 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.443 7.557 15.934 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.544 6.422 16.689 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.587 10.059 17.172 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.056 9.193 17.330 1.00 0.00 H new ATOM 253 N ALA A 15 9.993 4.507 14.129 1.00 0.00 N ATOM 254 CA ALA A 15 10.346 3.104 14.261 1.00 0.00 C ATOM 255 C ALA A 15 11.493 2.778 13.302 1.00 0.00 C ATOM 256 O ALA A 15 11.777 3.547 12.385 1.00 0.00 O ATOM 257 CB ALA A 15 9.109 2.241 14.005 1.00 0.00 C ATOM 0 H ALA A 15 10.602 5.043 13.510 1.00 0.00 H new ATOM 0 HA ALA A 15 10.691 2.888 15.272 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.373 1.188 14.104 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.335 2.491 14.731 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.737 2.429 12.998 1.00 0.00 H new ATOM 263 N PRO A 16 12.137 1.608 13.554 1.00 0.00 N ATOM 264 CA PRO A 16 13.247 1.171 12.724 1.00 0.00 C ATOM 265 C PRO A 16 12.750 0.647 11.375 1.00 0.00 C ATOM 266 O PRO A 16 11.888 -0.229 11.324 1.00 0.00 O ATOM 267 CB PRO A 16 13.960 0.110 13.546 1.00 0.00 C ATOM 268 CG PRO A 16 12.963 -0.339 14.602 1.00 0.00 C ATOM 269 CD PRO A 16 11.828 0.672 14.631 1.00 0.00 C ATOM 0 HA PRO A 16 13.928 1.984 12.471 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.269 -0.727 12.920 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.862 0.513 14.007 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.582 -1.334 14.369 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.443 -0.402 15.578 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.864 0.189 14.472 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.775 1.180 15.594 1.00 0.00 H new ATOM 277 N ILE A 17 13.315 1.206 10.314 1.00 0.00 N ATOM 278 CA ILE A 17 12.940 0.807 8.969 1.00 0.00 C ATOM 279 C ILE A 17 12.929 -0.721 8.879 1.00 0.00 C ATOM 280 O ILE A 17 12.195 -1.294 8.076 1.00 0.00 O ATOM 281 CB ILE A 17 13.850 1.476 7.938 1.00 0.00 C ATOM 282 CG1 ILE A 17 13.262 1.361 6.530 1.00 0.00 C ATOM 283 CG2 ILE A 17 15.271 0.914 8.013 1.00 0.00 C ATOM 284 CD1 ILE A 17 13.987 2.291 5.555 1.00 0.00 C ATOM 0 H ILE A 17 14.030 1.932 10.360 1.00 0.00 H new ATOM 0 HA ILE A 17 11.931 1.148 8.739 1.00 0.00 H new ATOM 0 HB ILE A 17 13.911 2.538 8.176 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.341 0.331 6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.201 1.609 6.554 1.00 0.00 H new ATOM 0 HG21 ILE A 17 15.897 1.407 7.269 1.00 0.00 H new ATOM 0 HG22 ILE A 17 15.681 1.092 9.007 1.00 0.00 H new ATOM 0 HG23 ILE A 17 15.249 -0.158 7.816 1.00 0.00 H new ATOM 0 HD11 ILE A 17 13.549 2.190 4.562 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.886 3.322 5.893 1.00 0.00 H new ATOM 0 HD13 ILE A 17 15.043 2.024 5.515 1.00 0.00 H new ATOM 296 N GLU A 18 13.751 -1.337 9.716 1.00 0.00 N ATOM 297 CA GLU A 18 13.845 -2.786 9.741 1.00 0.00 C ATOM 298 C GLU A 18 12.476 -3.402 10.033 1.00 0.00 C ATOM 299 O GLU A 18 12.039 -4.315 9.334 1.00 0.00 O ATOM 300 CB GLU A 18 14.885 -3.251 10.763 1.00 0.00 C ATOM 301 CG GLU A 18 15.806 -4.315 10.164 1.00 0.00 C ATOM 302 CD GLU A 18 15.410 -5.714 10.639 1.00 0.00 C ATOM 303 OE1 GLU A 18 15.355 -5.900 11.874 1.00 0.00 O ATOM 304 OE2 GLU A 18 15.170 -6.566 9.756 1.00 0.00 O ATOM 0 H GLU A 18 14.358 -0.859 10.382 1.00 0.00 H new ATOM 0 HA GLU A 18 14.172 -3.126 8.758 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.477 -2.399 11.098 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.381 -3.654 11.642 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.760 -4.270 9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 18 16.838 -4.109 10.448 1.00 0.00 H new ATOM 311 N LYS A 19 11.836 -2.878 11.069 1.00 0.00 N ATOM 312 CA LYS A 19 10.524 -3.365 11.462 1.00 0.00 C ATOM 313 C LYS A 19 9.521 -3.075 10.345 1.00 0.00 C ATOM 314 O LYS A 19 8.834 -3.979 9.872 1.00 0.00 O ATOM 315 CB LYS A 19 10.121 -2.782 12.818 1.00 0.00 C ATOM 316 CG LYS A 19 9.157 -3.716 13.552 1.00 0.00 C ATOM 317 CD LYS A 19 8.381 -2.963 14.635 1.00 0.00 C ATOM 318 CE LYS A 19 7.537 -3.925 15.474 1.00 0.00 C ATOM 319 NZ LYS A 19 7.696 -3.631 16.915 1.00 0.00 N ATOM 0 H LYS A 19 12.201 -2.122 11.648 1.00 0.00 H new ATOM 0 HA LYS A 19 10.544 -4.446 11.599 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.010 -2.620 13.427 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.651 -1.809 12.674 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.459 -4.157 12.840 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.714 -4.537 14.003 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.077 -2.427 15.280 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.736 -2.216 14.172 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.488 -3.838 15.193 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.837 -4.953 15.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.117 -4.293 17.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.695 -3.737 17.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.388 -2.656 17.107 1.00 0.00 H new ATOM 333 N VAL A 20 9.468 -1.810 9.954 1.00 0.00 N ATOM 334 CA VAL A 20 8.560 -1.389 8.901 1.00 0.00 C ATOM 335 C VAL A 20 8.787 -2.255 7.661 1.00 0.00 C ATOM 336 O VAL A 20 7.837 -2.786 7.087 1.00 0.00 O ATOM 337 CB VAL A 20 8.734 0.106 8.626 1.00 0.00 C ATOM 338 CG1 VAL A 20 7.850 0.556 7.462 1.00 0.00 C ATOM 339 CG2 VAL A 20 8.449 0.932 9.882 1.00 0.00 C ATOM 0 H VAL A 20 10.040 -1.063 10.348 1.00 0.00 H new ATOM 0 HA VAL A 20 7.525 -1.530 9.211 1.00 0.00 H new ATOM 0 HB VAL A 20 9.773 0.275 8.343 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.993 1.622 7.288 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.121 0.002 6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.805 0.365 7.704 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.580 1.991 9.659 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.425 0.754 10.210 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.139 0.640 10.674 1.00 0.00 H new ATOM 349 N TRP A 21 10.052 -2.372 7.284 1.00 0.00 N ATOM 350 CA TRP A 21 10.416 -3.165 6.122 1.00 0.00 C ATOM 351 C TRP A 21 9.836 -4.569 6.307 1.00 0.00 C ATOM 352 O TRP A 21 9.071 -5.044 5.469 1.00 0.00 O ATOM 353 CB TRP A 21 11.932 -3.168 5.913 1.00 0.00 C ATOM 354 CG TRP A 21 12.384 -3.892 4.644 1.00 0.00 C ATOM 355 CD1 TRP A 21 13.268 -4.893 4.536 1.00 0.00 C ATOM 356 CD2 TRP A 21 11.936 -3.629 3.298 1.00 0.00 C ATOM 357 NE1 TRP A 21 13.422 -5.293 3.224 1.00 0.00 N ATOM 358 CE2 TRP A 21 12.586 -4.500 2.447 1.00 0.00 C ATOM 359 CE3 TRP A 21 11.012 -2.686 2.815 1.00 0.00 C ATOM 360 CZ2 TRP A 21 12.381 -4.514 1.062 1.00 0.00 C ATOM 361 CZ3 TRP A 21 10.818 -2.713 1.428 1.00 0.00 C ATOM 362 CH2 TRP A 21 11.465 -3.583 0.558 1.00 0.00 C ATOM 0 H TRP A 21 10.837 -1.931 7.763 1.00 0.00 H new ATOM 0 HA TRP A 21 9.998 -2.732 5.213 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.285 -2.138 5.876 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.406 -3.637 6.775 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.794 -5.332 5.371 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.036 -6.034 2.887 1.00 0.00 H new ATOM 0 HE3 TRP A 21 10.493 -1.995 3.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 12.902 -5.206 0.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.117 -2.009 1.005 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.262 -3.541 -0.502 1.00 0.00 H new ATOM 373 N GLU A 22 10.223 -5.194 7.410 1.00 0.00 N ATOM 374 CA GLU A 22 9.750 -6.533 7.715 1.00 0.00 C ATOM 375 C GLU A 22 8.221 -6.563 7.746 1.00 0.00 C ATOM 376 O GLU A 22 7.612 -7.611 7.535 1.00 0.00 O ATOM 377 CB GLU A 22 10.336 -7.033 9.038 1.00 0.00 C ATOM 378 CG GLU A 22 11.186 -8.286 8.823 1.00 0.00 C ATOM 379 CD GLU A 22 11.273 -9.116 10.105 1.00 0.00 C ATOM 380 OE1 GLU A 22 10.194 -9.483 10.619 1.00 0.00 O ATOM 381 OE2 GLU A 22 12.417 -9.366 10.543 1.00 0.00 O ATOM 0 H GLU A 22 10.858 -4.798 8.103 1.00 0.00 H new ATOM 0 HA GLU A 22 10.090 -7.205 6.927 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.945 -6.249 9.489 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.529 -7.252 9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.755 -8.889 8.024 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.188 -8.000 8.502 1.00 0.00 H new ATOM 388 N ALA A 23 7.644 -5.400 8.012 1.00 0.00 N ATOM 389 CA ALA A 23 6.197 -5.280 8.073 1.00 0.00 C ATOM 390 C ALA A 23 5.645 -5.088 6.659 1.00 0.00 C ATOM 391 O ALA A 23 4.456 -5.294 6.420 1.00 0.00 O ATOM 392 CB ALA A 23 5.820 -4.128 9.007 1.00 0.00 C ATOM 0 H ALA A 23 8.152 -4.533 8.188 1.00 0.00 H new ATOM 0 HA ALA A 23 5.753 -6.189 8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.735 -4.037 9.053 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.210 -4.326 10.005 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.246 -3.199 8.629 1.00 0.00 H new ATOM 398 N VAL A 24 6.535 -4.697 5.759 1.00 0.00 N ATOM 399 CA VAL A 24 6.151 -4.475 4.375 1.00 0.00 C ATOM 400 C VAL A 24 6.936 -5.430 3.474 1.00 0.00 C ATOM 401 O VAL A 24 6.988 -5.242 2.259 1.00 0.00 O ATOM 402 CB VAL A 24 6.352 -3.004 4.005 1.00 0.00 C ATOM 403 CG1 VAL A 24 5.887 -2.086 5.137 1.00 0.00 C ATOM 404 CG2 VAL A 24 7.811 -2.725 3.638 1.00 0.00 C ATOM 0 H VAL A 24 7.520 -4.528 5.961 1.00 0.00 H new ATOM 0 HA VAL A 24 5.092 -4.690 4.233 1.00 0.00 H new ATOM 0 HB VAL A 24 5.740 -2.793 3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.041 -1.046 4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.828 -2.256 5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.460 -2.301 6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.926 -1.672 3.379 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.452 -2.962 4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.096 -3.342 2.785 1.00 0.00 H new ATOM 414 N SER A 25 7.527 -6.435 4.103 1.00 0.00 N ATOM 415 CA SER A 25 8.307 -7.421 3.373 1.00 0.00 C ATOM 416 C SER A 25 7.631 -8.791 3.459 1.00 0.00 C ATOM 417 O SER A 25 7.702 -9.582 2.520 1.00 0.00 O ATOM 418 CB SER A 25 9.737 -7.500 3.911 1.00 0.00 C ATOM 419 OG SER A 25 9.831 -8.343 5.056 1.00 0.00 O ATOM 0 H SER A 25 7.482 -6.588 5.110 1.00 0.00 H new ATOM 0 HA SER A 25 8.357 -7.113 2.329 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.398 -7.875 3.130 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.083 -6.499 4.168 1.00 0.00 H new ATOM 0 HG SER A 25 10.774 -8.497 5.272 1.00 0.00 H new ATOM 425 N THR A 26 6.990 -9.029 4.594 1.00 0.00 N ATOM 426 CA THR A 26 6.302 -10.290 4.814 1.00 0.00 C ATOM 427 C THR A 26 4.815 -10.150 4.484 1.00 0.00 C ATOM 428 O THR A 26 4.343 -9.056 4.180 1.00 0.00 O ATOM 429 CB THR A 26 6.566 -10.726 6.257 1.00 0.00 C ATOM 430 OG1 THR A 26 6.161 -9.606 7.038 1.00 0.00 O ATOM 431 CG2 THR A 26 8.058 -10.874 6.561 1.00 0.00 C ATOM 0 H THR A 26 6.933 -8.370 5.371 1.00 0.00 H new ATOM 0 HA THR A 26 6.678 -11.068 4.150 1.00 0.00 H new ATOM 0 HB THR A 26 6.062 -11.674 6.447 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.946 -9.065 7.265 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.189 -11.185 7.597 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.491 -11.624 5.900 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.558 -9.918 6.403 1.00 0.00 H new ATOM 439 N SER A 27 4.118 -11.275 4.555 1.00 0.00 N ATOM 440 CA SER A 27 2.694 -11.292 4.267 1.00 0.00 C ATOM 441 C SER A 27 1.902 -10.920 5.522 1.00 0.00 C ATOM 442 O SER A 27 1.023 -10.060 5.473 1.00 0.00 O ATOM 443 CB SER A 27 2.253 -12.662 3.748 1.00 0.00 C ATOM 444 OG SER A 27 3.364 -13.485 3.402 1.00 0.00 O ATOM 0 H SER A 27 4.513 -12.181 4.808 1.00 0.00 H new ATOM 0 HA SER A 27 2.494 -10.557 3.487 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.654 -13.162 4.509 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.614 -12.530 2.875 1.00 0.00 H new ATOM 0 HG SER A 27 3.882 -13.054 2.691 1.00 0.00 H new ATOM 450 N GLU A 28 2.241 -11.585 6.616 1.00 0.00 N ATOM 451 CA GLU A 28 1.573 -11.335 7.881 1.00 0.00 C ATOM 452 C GLU A 28 1.708 -9.862 8.271 1.00 0.00 C ATOM 453 O GLU A 28 0.753 -9.251 8.748 1.00 0.00 O ATOM 454 CB GLU A 28 2.122 -12.246 8.981 1.00 0.00 C ATOM 455 CG GLU A 28 1.014 -13.119 9.574 1.00 0.00 C ATOM 456 CD GLU A 28 0.300 -12.397 10.719 1.00 0.00 C ATOM 457 OE1 GLU A 28 0.986 -12.109 11.723 1.00 0.00 O ATOM 458 OE2 GLU A 28 -0.915 -12.148 10.563 1.00 0.00 O ATOM 0 H GLU A 28 2.970 -12.297 6.652 1.00 0.00 H new ATOM 0 HA GLU A 28 0.514 -11.563 7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.910 -12.879 8.574 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.573 -11.641 9.767 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.294 -13.377 8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.439 -14.054 9.938 1.00 0.00 H new ATOM 465 N GLY A 29 2.904 -9.333 8.054 1.00 0.00 N ATOM 466 CA GLY A 29 3.177 -7.943 8.377 1.00 0.00 C ATOM 467 C GLY A 29 2.366 -7.003 7.482 1.00 0.00 C ATOM 468 O GLY A 29 1.934 -5.939 7.923 1.00 0.00 O ATOM 0 H GLY A 29 3.694 -9.842 7.659 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.935 -7.754 9.423 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.241 -7.740 8.255 1.00 0.00 H new ATOM 472 N LEU A 30 2.185 -7.429 6.241 1.00 0.00 N ATOM 473 CA LEU A 30 1.434 -6.639 5.280 1.00 0.00 C ATOM 474 C LEU A 30 -0.059 -6.744 5.596 1.00 0.00 C ATOM 475 O LEU A 30 -0.720 -5.733 5.831 1.00 0.00 O ATOM 476 CB LEU A 30 1.791 -7.052 3.851 1.00 0.00 C ATOM 477 CG LEU A 30 2.746 -6.121 3.102 1.00 0.00 C ATOM 478 CD1 LEU A 30 3.949 -6.893 2.557 1.00 0.00 C ATOM 479 CD2 LEU A 30 2.012 -5.352 2.001 1.00 0.00 C ATOM 0 H LEU A 30 2.546 -8.312 5.878 1.00 0.00 H new ATOM 0 HA LEU A 30 1.704 -5.586 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.235 -8.047 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.868 -7.132 3.276 1.00 0.00 H new ATOM 0 HG LEU A 30 3.129 -5.385 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.612 -6.208 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.489 -7.356 3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.604 -7.666 1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.714 -4.698 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.582 -6.057 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.216 -4.753 2.444 1.00 0.00 H new ATOM 491 N ALA A 31 -0.548 -7.976 5.591 1.00 0.00 N ATOM 492 CA ALA A 31 -1.951 -8.226 5.874 1.00 0.00 C ATOM 493 C ALA A 31 -2.329 -7.547 7.193 1.00 0.00 C ATOM 494 O ALA A 31 -3.503 -7.278 7.441 1.00 0.00 O ATOM 495 CB ALA A 31 -2.205 -9.734 5.901 1.00 0.00 C ATOM 0 H ALA A 31 0.003 -8.812 5.395 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.582 -7.803 5.092 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.257 -9.922 6.113 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.948 -10.164 4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.591 -10.193 6.676 1.00 0.00 H new ATOM 501 N PHE A 32 -1.312 -7.292 8.003 1.00 0.00 N ATOM 502 CA PHE A 32 -1.524 -6.650 9.289 1.00 0.00 C ATOM 503 C PHE A 32 -2.195 -5.286 9.118 1.00 0.00 C ATOM 504 O PHE A 32 -2.804 -4.768 10.053 1.00 0.00 O ATOM 505 CB PHE A 32 -0.145 -6.451 9.922 1.00 0.00 C ATOM 506 CG PHE A 32 -0.099 -6.752 11.421 1.00 0.00 C ATOM 507 CD1 PHE A 32 -1.047 -6.236 12.248 1.00 0.00 C ATOM 508 CD2 PHE A 32 0.890 -7.537 11.927 1.00 0.00 C ATOM 509 CE1 PHE A 32 -1.004 -6.515 13.640 1.00 0.00 C ATOM 510 CE2 PHE A 32 0.933 -7.817 13.318 1.00 0.00 C ATOM 511 CZ PHE A 32 -0.015 -7.300 14.145 1.00 0.00 C ATOM 0 H PHE A 32 -0.340 -7.518 7.794 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.172 -7.268 9.910 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.574 -7.092 9.411 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.173 -5.421 9.759 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.833 -5.614 11.846 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.643 -7.947 11.270 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.756 -6.104 14.297 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.718 -8.440 13.719 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.018 -7.513 15.203 1.00 0.00 H new ATOM 521 N TRP A 33 -2.062 -4.743 7.917 1.00 0.00 N ATOM 522 CA TRP A 33 -2.648 -3.449 7.611 1.00 0.00 C ATOM 523 C TRP A 33 -3.255 -3.525 6.208 1.00 0.00 C ATOM 524 O TRP A 33 -4.406 -3.141 6.005 1.00 0.00 O ATOM 525 CB TRP A 33 -1.613 -2.331 7.755 1.00 0.00 C ATOM 526 CG TRP A 33 -0.344 -2.547 6.929 1.00 0.00 C ATOM 527 CD1 TRP A 33 0.713 -3.315 7.226 1.00 0.00 C ATOM 528 CD2 TRP A 33 -0.040 -1.953 5.649 1.00 0.00 C ATOM 529 NE1 TRP A 33 1.673 -3.259 6.235 1.00 0.00 N ATOM 530 CE2 TRP A 33 1.200 -2.405 5.246 1.00 0.00 C ATOM 531 CE3 TRP A 33 -0.788 -1.063 4.858 1.00 0.00 C ATOM 532 CZ2 TRP A 33 1.801 -2.021 4.041 1.00 0.00 C ATOM 533 CZ3 TRP A 33 -0.173 -0.689 3.657 1.00 0.00 C ATOM 534 CH2 TRP A 33 1.074 -1.135 3.237 1.00 0.00 C ATOM 0 H TRP A 33 -1.557 -5.176 7.144 1.00 0.00 H new ATOM 0 HA TRP A 33 -3.439 -3.206 8.320 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -2.070 -1.387 7.459 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -1.339 -2.237 8.806 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.803 -3.904 8.127 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.565 -3.753 6.230 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.760 -0.697 5.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.773 -2.389 3.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.705 -0.006 3.012 1.00 0.00 H new ATOM 0 HH2 TRP A 33 1.481 -0.800 2.294 1.00 0.00 H new ATOM 545 N PHE A 34 -2.453 -4.021 5.277 1.00 0.00 N ATOM 546 CA PHE A 34 -2.897 -4.152 3.900 1.00 0.00 C ATOM 547 C PHE A 34 -4.009 -5.196 3.779 1.00 0.00 C ATOM 548 O PHE A 34 -5.188 -4.870 3.902 1.00 0.00 O ATOM 549 CB PHE A 34 -1.689 -4.613 3.083 1.00 0.00 C ATOM 550 CG PHE A 34 -2.046 -5.159 1.699 1.00 0.00 C ATOM 551 CD1 PHE A 34 -2.968 -4.519 0.932 1.00 0.00 C ATOM 552 CD2 PHE A 34 -1.441 -6.286 1.236 1.00 0.00 C ATOM 553 CE1 PHE A 34 -3.299 -5.026 -0.353 1.00 0.00 C ATOM 554 CE2 PHE A 34 -1.772 -6.794 -0.048 1.00 0.00 C ATOM 555 CZ PHE A 34 -2.694 -6.153 -0.815 1.00 0.00 C ATOM 0 H PHE A 34 -1.499 -4.337 5.449 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.290 -3.200 3.543 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.002 -3.775 2.966 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.159 -5.385 3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.449 -3.625 1.300 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.709 -6.795 1.845 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.031 -4.517 -0.963 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.292 -7.689 -0.415 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.946 -6.539 -1.792 1.00 0.00 H new ATOM 565 N MET A 35 -3.593 -6.431 3.539 1.00 0.00 N ATOM 566 CA MET A 35 -4.538 -7.526 3.400 1.00 0.00 C ATOM 567 C MET A 35 -3.817 -8.875 3.382 1.00 0.00 C ATOM 568 O MET A 35 -2.602 -8.931 3.197 1.00 0.00 O ATOM 569 CB MET A 35 -5.332 -7.353 2.103 1.00 0.00 C ATOM 570 CG MET A 35 -6.735 -6.814 2.387 1.00 0.00 C ATOM 571 SD MET A 35 -7.813 -7.161 1.007 1.00 0.00 S ATOM 572 CE MET A 35 -7.025 -6.179 -0.257 1.00 0.00 C ATOM 0 H MET A 35 -2.614 -6.698 3.437 1.00 0.00 H new ATOM 0 HA MET A 35 -5.213 -7.509 4.255 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.804 -6.670 1.438 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.404 -8.310 1.586 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.132 -7.271 3.293 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.692 -5.739 2.564 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.424 -6.454 -1.233 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.219 -5.123 -0.071 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.950 -6.359 -0.241 1.00 0.00 H new ATOM 582 N GLU A 36 -4.595 -9.929 3.577 1.00 0.00 N ATOM 583 CA GLU A 36 -4.046 -11.274 3.585 1.00 0.00 C ATOM 584 C GLU A 36 -3.361 -11.576 2.250 1.00 0.00 C ATOM 585 O GLU A 36 -3.905 -11.277 1.188 1.00 0.00 O ATOM 586 CB GLU A 36 -5.131 -12.308 3.891 1.00 0.00 C ATOM 587 CG GLU A 36 -5.514 -12.280 5.372 1.00 0.00 C ATOM 588 CD GLU A 36 -5.363 -13.665 6.003 1.00 0.00 C ATOM 589 OE1 GLU A 36 -5.649 -14.649 5.287 1.00 0.00 O ATOM 590 OE2 GLU A 36 -4.966 -13.709 7.188 1.00 0.00 O ATOM 0 H GLU A 36 -5.602 -9.879 3.731 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.299 -11.335 4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.011 -12.108 3.280 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.776 -13.303 3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.884 -11.565 5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.543 -11.938 5.479 1.00 0.00 H new ATOM 597 N ASN A 37 -2.178 -12.164 2.348 1.00 0.00 N ATOM 598 CA ASN A 37 -1.413 -12.509 1.162 1.00 0.00 C ATOM 599 C ASN A 37 -0.295 -13.480 1.546 1.00 0.00 C ATOM 600 O ASN A 37 -0.154 -13.840 2.714 1.00 0.00 O ATOM 601 CB ASN A 37 -0.769 -11.268 0.541 1.00 0.00 C ATOM 602 CG ASN A 37 0.278 -10.666 1.480 1.00 0.00 C ATOM 603 OD1 ASN A 37 1.433 -10.487 1.130 1.00 0.00 O ATOM 604 ND2 ASN A 37 -0.188 -10.366 2.688 1.00 0.00 N ATOM 0 H ASN A 37 -1.730 -12.410 3.231 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.095 -12.960 0.441 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.303 -11.532 -0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.537 -10.526 0.323 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.433 -9.960 3.388 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.167 -10.542 2.915 1.00 0.00 H new ATOM 611 N ASP A 38 0.472 -13.877 0.541 1.00 0.00 N ATOM 612 CA ASP A 38 1.573 -14.800 0.759 1.00 0.00 C ATOM 613 C ASP A 38 2.858 -14.197 0.186 1.00 0.00 C ATOM 614 O ASP A 38 3.712 -14.920 -0.325 1.00 0.00 O ATOM 615 CB ASP A 38 1.321 -16.134 0.054 1.00 0.00 C ATOM 616 CG ASP A 38 0.383 -17.089 0.794 1.00 0.00 C ATOM 617 OD1 ASP A 38 -0.059 -16.707 1.900 1.00 0.00 O ATOM 618 OD2 ASP A 38 0.128 -18.179 0.238 1.00 0.00 O ATOM 0 H ASP A 38 0.353 -13.576 -0.426 1.00 0.00 H new ATOM 0 HA ASP A 38 1.663 -14.971 1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.905 -15.933 -0.933 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.278 -16.634 -0.098 1.00 0.00 H new ATOM 623 N LEU A 39 2.954 -12.880 0.291 1.00 0.00 N ATOM 624 CA LEU A 39 4.120 -12.173 -0.210 1.00 0.00 C ATOM 625 C LEU A 39 5.333 -12.522 0.653 1.00 0.00 C ATOM 626 O LEU A 39 5.191 -12.822 1.838 1.00 0.00 O ATOM 627 CB LEU A 39 3.839 -10.671 -0.298 1.00 0.00 C ATOM 628 CG LEU A 39 4.957 -9.813 -0.893 1.00 0.00 C ATOM 629 CD1 LEU A 39 4.467 -9.052 -2.126 1.00 0.00 C ATOM 630 CD2 LEU A 39 5.549 -8.876 0.161 1.00 0.00 C ATOM 0 H LEU A 39 2.243 -12.284 0.716 1.00 0.00 H new ATOM 0 HA LEU A 39 4.350 -12.491 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.939 -10.524 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.620 -10.303 0.704 1.00 0.00 H new ATOM 0 HG LEU A 39 5.758 -10.475 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.281 -8.450 -2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.132 -9.762 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.639 -8.401 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.342 -8.277 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.768 -8.217 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.960 -9.464 0.982 1.00 0.00 H new ATOM 642 N LYS A 40 6.500 -12.472 0.027 1.00 0.00 N ATOM 643 CA LYS A 40 7.737 -12.779 0.724 1.00 0.00 C ATOM 644 C LYS A 40 8.847 -11.858 0.213 1.00 0.00 C ATOM 645 O LYS A 40 10.021 -12.225 0.233 1.00 0.00 O ATOM 646 CB LYS A 40 8.067 -14.268 0.598 1.00 0.00 C ATOM 647 CG LYS A 40 7.219 -15.101 1.561 1.00 0.00 C ATOM 648 CD LYS A 40 8.075 -16.138 2.290 1.00 0.00 C ATOM 649 CE LYS A 40 8.937 -15.477 3.368 1.00 0.00 C ATOM 650 NZ LYS A 40 8.814 -16.207 4.650 1.00 0.00 N ATOM 0 H LYS A 40 6.615 -12.223 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 40 7.630 -12.589 1.792 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.891 -14.598 -0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.125 -14.429 0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.738 -14.446 2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.424 -15.603 1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.432 -16.891 2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.714 -16.655 1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.979 -15.462 3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.630 -14.440 3.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.405 -15.745 5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.821 -16.199 4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.129 -17.190 4.521 1.00 0.00 H new ATOM 664 N ALA A 41 8.436 -10.680 -0.233 1.00 0.00 N ATOM 665 CA ALA A 41 9.382 -9.704 -0.747 1.00 0.00 C ATOM 666 C ALA A 41 10.393 -10.409 -1.654 1.00 0.00 C ATOM 667 O ALA A 41 11.579 -10.474 -1.333 1.00 0.00 O ATOM 668 CB ALA A 41 10.052 -8.977 0.420 1.00 0.00 C ATOM 0 H ALA A 41 7.461 -10.379 -0.249 1.00 0.00 H new ATOM 0 HA ALA A 41 8.869 -8.952 -1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 41 10.761 -8.245 0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.294 -8.468 1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.579 -9.699 1.044 1.00 0.00 H new ATOM 674 N GLU A 42 9.887 -10.918 -2.767 1.00 0.00 N ATOM 675 CA GLU A 42 10.732 -11.616 -3.722 1.00 0.00 C ATOM 676 C GLU A 42 10.279 -11.312 -5.152 1.00 0.00 C ATOM 677 O GLU A 42 9.149 -11.620 -5.527 1.00 0.00 O ATOM 678 CB GLU A 42 10.733 -13.122 -3.455 1.00 0.00 C ATOM 679 CG GLU A 42 12.162 -13.656 -3.331 1.00 0.00 C ATOM 680 CD GLU A 42 12.167 -15.088 -2.794 1.00 0.00 C ATOM 681 OE1 GLU A 42 11.575 -15.952 -3.476 1.00 0.00 O ATOM 682 OE2 GLU A 42 12.764 -15.287 -1.714 1.00 0.00 O ATOM 0 H GLU A 42 8.903 -10.861 -3.029 1.00 0.00 H new ATOM 0 HA GLU A 42 11.755 -11.259 -3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.181 -13.333 -2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.217 -13.639 -4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.651 -13.627 -4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.738 -13.012 -2.666 1.00 0.00 H new ATOM 689 N THR A 43 11.185 -10.713 -5.911 1.00 0.00 N ATOM 690 CA THR A 43 10.893 -10.365 -7.291 1.00 0.00 C ATOM 691 C THR A 43 10.656 -11.628 -8.121 1.00 0.00 C ATOM 692 O THR A 43 11.316 -12.645 -7.912 1.00 0.00 O ATOM 693 CB THR A 43 12.042 -9.500 -7.814 1.00 0.00 C ATOM 694 OG1 THR A 43 11.442 -8.704 -8.832 1.00 0.00 O ATOM 695 CG2 THR A 43 13.100 -10.319 -8.556 1.00 0.00 C ATOM 0 H THR A 43 12.122 -10.460 -5.596 1.00 0.00 H new ATOM 0 HA THR A 43 9.972 -9.787 -7.367 1.00 0.00 H new ATOM 0 HB THR A 43 12.508 -8.974 -6.981 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.117 -8.111 -9.224 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.892 -9.658 -8.906 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.521 -11.065 -7.882 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.641 -10.819 -9.409 1.00 0.00 H new ATOM 703 N GLY A 44 9.713 -11.522 -9.045 1.00 0.00 N ATOM 704 CA GLY A 44 9.381 -12.643 -9.907 1.00 0.00 C ATOM 705 C GLY A 44 8.626 -13.726 -9.133 1.00 0.00 C ATOM 706 O GLY A 44 8.580 -14.880 -9.558 1.00 0.00 O ATOM 0 H GLY A 44 9.168 -10.677 -9.216 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.772 -12.296 -10.742 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.293 -13.063 -10.331 1.00 0.00 H new ATOM 710 N HIS A 45 8.053 -13.316 -8.011 1.00 0.00 N ATOM 711 CA HIS A 45 7.303 -14.236 -7.174 1.00 0.00 C ATOM 712 C HIS A 45 5.843 -14.272 -7.631 1.00 0.00 C ATOM 713 O HIS A 45 5.422 -13.447 -8.440 1.00 0.00 O ATOM 714 CB HIS A 45 7.453 -13.871 -5.696 1.00 0.00 C ATOM 715 CG HIS A 45 6.745 -14.817 -4.755 1.00 0.00 C ATOM 716 ND1 HIS A 45 6.675 -16.181 -4.976 1.00 0.00 N ATOM 717 CD2 HIS A 45 6.078 -14.581 -3.589 1.00 0.00 C ATOM 718 CE1 HIS A 45 5.994 -16.731 -3.982 1.00 0.00 C ATOM 719 NE2 HIS A 45 5.625 -15.738 -3.123 1.00 0.00 N ATOM 0 H HIS A 45 8.093 -12.358 -7.662 1.00 0.00 H new ATOM 0 HA HIS A 45 7.706 -15.243 -7.282 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.513 -13.849 -5.443 1.00 0.00 H new ATOM 0 HB3 HIS A 45 7.067 -12.863 -5.540 1.00 0.00 H new ATOM 0 HD2 HIS A 45 5.942 -13.616 -3.124 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.770 -17.782 -3.871 1.00 0.00 H new ATOM 0 HE2 HIS A 45 5.089 -15.864 -2.264 1.00 0.00 H new ATOM 727 N HIS A 46 5.112 -15.236 -7.092 1.00 0.00 N ATOM 728 CA HIS A 46 3.708 -15.390 -7.434 1.00 0.00 C ATOM 729 C HIS A 46 2.889 -15.600 -6.159 1.00 0.00 C ATOM 730 O HIS A 46 3.025 -16.623 -5.491 1.00 0.00 O ATOM 731 CB HIS A 46 3.517 -16.516 -8.453 1.00 0.00 C ATOM 732 CG HIS A 46 4.364 -17.737 -8.185 1.00 0.00 C ATOM 733 ND1 HIS A 46 3.952 -18.769 -7.361 1.00 0.00 N ATOM 734 CD2 HIS A 46 5.603 -18.080 -8.641 1.00 0.00 C ATOM 735 CE1 HIS A 46 4.908 -19.686 -7.329 1.00 0.00 C ATOM 736 NE2 HIS A 46 5.930 -19.257 -8.122 1.00 0.00 N ATOM 0 H HIS A 46 5.465 -15.918 -6.421 1.00 0.00 H new ATOM 0 HA HIS A 46 3.345 -14.480 -7.912 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.467 -16.810 -8.462 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.750 -16.136 -9.447 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.214 -17.493 -9.311 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.882 -20.611 -6.772 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.803 -19.758 -8.289 1.00 0.00 H new ATOM 744 N PHE A 47 2.056 -14.614 -5.860 1.00 0.00 N ATOM 745 CA PHE A 47 1.215 -14.678 -4.677 1.00 0.00 C ATOM 746 C PHE A 47 -0.177 -14.109 -4.962 1.00 0.00 C ATOM 747 O PHE A 47 -0.320 -13.174 -5.749 1.00 0.00 O ATOM 748 CB PHE A 47 1.890 -13.825 -3.602 1.00 0.00 C ATOM 749 CG PHE A 47 1.730 -12.318 -3.810 1.00 0.00 C ATOM 750 CD1 PHE A 47 2.416 -11.691 -4.803 1.00 0.00 C ATOM 751 CD2 PHE A 47 0.899 -11.604 -3.003 1.00 0.00 C ATOM 752 CE1 PHE A 47 2.267 -10.293 -4.997 1.00 0.00 C ATOM 753 CE2 PHE A 47 0.750 -10.206 -3.197 1.00 0.00 C ATOM 754 CZ PHE A 47 1.437 -9.579 -4.189 1.00 0.00 C ATOM 0 H PHE A 47 1.946 -13.766 -6.417 1.00 0.00 H new ATOM 0 HA PHE A 47 1.097 -15.714 -4.360 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.478 -14.093 -2.629 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.953 -14.067 -3.576 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.075 -12.257 -5.445 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.353 -12.101 -2.215 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.812 -9.796 -5.786 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.090 -9.640 -2.556 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.324 -8.515 -4.335 1.00 0.00 H new ATOM 764 N HIS A 48 -1.167 -14.697 -4.307 1.00 0.00 N ATOM 765 CA HIS A 48 -2.542 -14.260 -4.481 1.00 0.00 C ATOM 766 C HIS A 48 -2.941 -13.348 -3.320 1.00 0.00 C ATOM 767 O HIS A 48 -2.201 -13.217 -2.346 1.00 0.00 O ATOM 768 CB HIS A 48 -3.477 -15.461 -4.639 1.00 0.00 C ATOM 769 CG HIS A 48 -3.554 -15.998 -6.049 1.00 0.00 C ATOM 770 ND1 HIS A 48 -2.454 -16.502 -6.720 1.00 0.00 N ATOM 771 CD2 HIS A 48 -4.610 -16.105 -6.905 1.00 0.00 C ATOM 772 CE1 HIS A 48 -2.841 -16.891 -7.926 1.00 0.00 C ATOM 773 NE2 HIS A 48 -4.178 -16.643 -8.039 1.00 0.00 N ATOM 0 H HIS A 48 -1.045 -15.472 -3.655 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.630 -13.680 -5.400 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.143 -16.258 -3.975 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.478 -15.175 -4.315 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.626 -15.803 -6.696 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.210 -17.327 -8.686 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.751 -16.839 -8.860 1.00 0.00 H new ATOM 781 N LEU A 49 -4.110 -12.740 -3.461 1.00 0.00 N ATOM 782 CA LEU A 49 -4.616 -11.843 -2.436 1.00 0.00 C ATOM 783 C LEU A 49 -6.049 -12.242 -2.078 1.00 0.00 C ATOM 784 O LEU A 49 -6.884 -12.430 -2.962 1.00 0.00 O ATOM 785 CB LEU A 49 -4.476 -10.386 -2.883 1.00 0.00 C ATOM 786 CG LEU A 49 -4.828 -9.327 -1.836 1.00 0.00 C ATOM 787 CD1 LEU A 49 -3.603 -8.958 -0.996 1.00 0.00 C ATOM 788 CD2 LEU A 49 -5.466 -8.100 -2.490 1.00 0.00 C ATOM 0 H LEU A 49 -4.721 -12.851 -4.270 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.023 -11.931 -1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.447 -10.223 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.111 -10.232 -3.755 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.568 -9.751 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.881 -8.204 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.232 -9.846 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.823 -8.561 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.706 -7.363 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.768 -7.665 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.379 -8.397 -3.007 1.00 0.00 H new ATOM 800 N GLN A 50 -6.290 -12.358 -0.781 1.00 0.00 N ATOM 801 CA GLN A 50 -7.608 -12.731 -0.295 1.00 0.00 C ATOM 802 C GLN A 50 -8.377 -11.489 0.161 1.00 0.00 C ATOM 803 O GLN A 50 -8.441 -11.197 1.354 1.00 0.00 O ATOM 804 CB GLN A 50 -7.505 -13.758 0.835 1.00 0.00 C ATOM 805 CG GLN A 50 -7.002 -15.103 0.309 1.00 0.00 C ATOM 806 CD GLN A 50 -8.116 -16.152 0.333 1.00 0.00 C ATOM 807 OE1 GLN A 50 -8.263 -16.918 1.272 1.00 0.00 O ATOM 808 NE2 GLN A 50 -8.889 -16.145 -0.749 1.00 0.00 N ATOM 0 H GLN A 50 -5.595 -12.200 -0.051 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.158 -13.194 -1.114 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.829 -13.389 1.606 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.481 -13.888 1.303 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.632 -14.984 -0.709 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.163 -15.444 0.916 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.711 -15.477 -1.499 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.660 -16.808 -0.829 1.00 0.00 H new ATOM 817 N SER A 51 -8.941 -10.791 -0.814 1.00 0.00 N ATOM 818 CA SER A 51 -9.703 -9.588 -0.528 1.00 0.00 C ATOM 819 C SER A 51 -11.186 -9.931 -0.378 1.00 0.00 C ATOM 820 O SER A 51 -11.615 -11.024 -0.744 1.00 0.00 O ATOM 821 CB SER A 51 -9.509 -8.540 -1.626 1.00 0.00 C ATOM 822 OG SER A 51 -10.636 -8.462 -2.495 1.00 0.00 O ATOM 0 H SER A 51 -8.885 -11.036 -1.803 1.00 0.00 H new ATOM 0 HA SER A 51 -9.338 -9.166 0.409 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.335 -7.565 -1.170 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.620 -8.784 -2.207 1.00 0.00 H new ATOM 0 HG SER A 51 -10.620 -9.216 -3.120 1.00 0.00 H new ATOM 828 N PRO A 52 -11.949 -8.951 0.176 1.00 0.00 N ATOM 829 CA PRO A 52 -13.376 -9.138 0.380 1.00 0.00 C ATOM 830 C PRO A 52 -14.137 -9.031 -0.943 1.00 0.00 C ATOM 831 O PRO A 52 -15.121 -9.739 -1.156 1.00 0.00 O ATOM 832 CB PRO A 52 -13.774 -8.068 1.383 1.00 0.00 C ATOM 833 CG PRO A 52 -12.662 -7.032 1.351 1.00 0.00 C ATOM 834 CD PRO A 52 -11.477 -7.643 0.622 1.00 0.00 C ATOM 0 HA PRO A 52 -13.620 -10.130 0.759 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.732 -7.621 1.118 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.885 -8.491 2.382 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.997 -6.128 0.843 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.380 -6.743 2.364 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.169 -7.025 -0.221 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.613 -7.737 1.280 1.00 0.00 H new ATOM 842 N PHE A 53 -13.654 -8.141 -1.797 1.00 0.00 N ATOM 843 CA PHE A 53 -14.276 -7.933 -3.093 1.00 0.00 C ATOM 844 C PHE A 53 -14.151 -9.181 -3.969 1.00 0.00 C ATOM 845 O PHE A 53 -14.937 -9.376 -4.894 1.00 0.00 O ATOM 846 CB PHE A 53 -13.534 -6.776 -3.765 1.00 0.00 C ATOM 847 CG PHE A 53 -14.428 -5.877 -4.621 1.00 0.00 C ATOM 848 CD1 PHE A 53 -14.809 -6.282 -5.862 1.00 0.00 C ATOM 849 CD2 PHE A 53 -14.840 -4.673 -4.142 1.00 0.00 C ATOM 850 CE1 PHE A 53 -15.639 -5.447 -6.657 1.00 0.00 C ATOM 851 CE2 PHE A 53 -15.670 -3.839 -4.937 1.00 0.00 C ATOM 852 CZ PHE A 53 -16.052 -4.243 -6.178 1.00 0.00 C ATOM 0 H PHE A 53 -12.839 -7.555 -1.616 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.337 -7.717 -2.966 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -13.056 -6.169 -2.996 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -12.739 -7.182 -4.391 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -14.481 -7.238 -6.243 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -14.536 -4.351 -3.157 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.942 -5.769 -7.642 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -15.998 -2.883 -4.556 1.00 0.00 H new ATOM 0 HZ PHE A 53 -16.683 -3.608 -6.783 1.00 0.00 H new ATOM 862 N GLY A 54 -13.156 -9.994 -3.646 1.00 0.00 N ATOM 863 CA GLY A 54 -12.917 -11.218 -4.392 1.00 0.00 C ATOM 864 C GLY A 54 -11.422 -11.532 -4.466 1.00 0.00 C ATOM 865 O GLY A 54 -10.588 -10.644 -4.297 1.00 0.00 O ATOM 0 H GLY A 54 -12.506 -9.829 -2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.443 -12.046 -3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.322 -11.119 -5.399 1.00 0.00 H new ATOM 869 N PRO A 55 -11.120 -12.832 -4.726 1.00 0.00 N ATOM 870 CA PRO A 55 -9.739 -13.275 -4.825 1.00 0.00 C ATOM 871 C PRO A 55 -9.114 -12.829 -6.148 1.00 0.00 C ATOM 872 O PRO A 55 -9.718 -12.986 -7.208 1.00 0.00 O ATOM 873 CB PRO A 55 -9.799 -14.786 -4.676 1.00 0.00 C ATOM 874 CG PRO A 55 -11.239 -15.177 -4.964 1.00 0.00 C ATOM 875 CD PRO A 55 -12.081 -13.912 -4.932 1.00 0.00 C ATOM 0 HA PRO A 55 -9.101 -12.838 -4.057 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.115 -15.274 -5.371 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.505 -15.091 -3.672 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -11.315 -15.662 -5.937 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.596 -15.892 -4.223 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.632 -13.779 -5.863 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.817 -13.946 -4.128 1.00 0.00 H new ATOM 883 N SER A 56 -7.912 -12.281 -6.043 1.00 0.00 N ATOM 884 CA SER A 56 -7.199 -11.811 -7.218 1.00 0.00 C ATOM 885 C SER A 56 -5.716 -12.174 -7.110 1.00 0.00 C ATOM 886 O SER A 56 -5.152 -12.176 -6.017 1.00 0.00 O ATOM 887 CB SER A 56 -7.364 -10.300 -7.395 1.00 0.00 C ATOM 888 OG SER A 56 -8.271 -9.982 -8.447 1.00 0.00 O ATOM 0 H SER A 56 -7.414 -12.152 -5.162 1.00 0.00 H new ATOM 0 HA SER A 56 -7.624 -12.301 -8.094 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.722 -9.863 -6.463 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.393 -9.851 -7.605 1.00 0.00 H new ATOM 0 HG SER A 56 -8.351 -9.009 -8.527 1.00 0.00 H new ATOM 894 N PRO A 57 -5.112 -12.480 -8.290 1.00 0.00 N ATOM 895 CA PRO A 57 -3.706 -12.844 -8.338 1.00 0.00 C ATOM 896 C PRO A 57 -2.815 -11.613 -8.161 1.00 0.00 C ATOM 897 O PRO A 57 -3.239 -10.491 -8.433 1.00 0.00 O ATOM 898 CB PRO A 57 -3.521 -13.523 -9.685 1.00 0.00 C ATOM 899 CG PRO A 57 -4.713 -13.102 -10.531 1.00 0.00 C ATOM 900 CD PRO A 57 -5.749 -12.488 -9.603 1.00 0.00 C ATOM 0 HA PRO A 57 -3.416 -13.513 -7.527 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.584 -13.218 -10.151 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.484 -14.607 -9.574 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.407 -12.383 -11.291 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.131 -13.961 -11.055 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.016 -11.480 -9.920 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.668 -13.073 -9.593 1.00 0.00 H new ATOM 908 N CYS A 58 -1.596 -11.865 -7.706 1.00 0.00 N ATOM 909 CA CYS A 58 -0.642 -10.791 -7.490 1.00 0.00 C ATOM 910 C CYS A 58 0.751 -11.304 -7.863 1.00 0.00 C ATOM 911 O CYS A 58 1.028 -12.497 -7.748 1.00 0.00 O ATOM 912 CB CYS A 58 -0.692 -10.270 -6.053 1.00 0.00 C ATOM 913 SG CYS A 58 -2.424 -9.921 -5.574 1.00 0.00 S ATOM 0 H CYS A 58 -1.248 -12.797 -7.481 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.897 -9.942 -8.123 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.260 -11.006 -5.375 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.092 -9.364 -5.965 1.00 0.00 H new ATOM 0 HG CYS A 58 -3.168 -9.873 -6.639 1.00 0.00 H new ATOM 919 N GLN A 59 1.590 -10.377 -8.301 1.00 0.00 N ATOM 920 CA GLN A 59 2.947 -10.721 -8.691 1.00 0.00 C ATOM 921 C GLN A 59 3.889 -9.544 -8.429 1.00 0.00 C ATOM 922 O GLN A 59 3.594 -8.412 -8.809 1.00 0.00 O ATOM 923 CB GLN A 59 3.004 -11.152 -10.157 1.00 0.00 C ATOM 924 CG GLN A 59 4.450 -11.242 -10.647 1.00 0.00 C ATOM 925 CD GLN A 59 4.701 -12.562 -11.379 1.00 0.00 C ATOM 926 OE1 GLN A 59 4.554 -13.642 -10.831 1.00 0.00 O ATOM 927 NE2 GLN A 59 5.086 -12.415 -12.643 1.00 0.00 N ATOM 0 H GLN A 59 1.357 -9.388 -8.394 1.00 0.00 H new ATOM 0 HA GLN A 59 3.275 -11.566 -8.085 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.516 -12.119 -10.274 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.452 -10.440 -10.771 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.664 -10.406 -11.313 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.131 -11.157 -9.800 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.189 -11.481 -13.039 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.278 -13.236 -13.216 1.00 0.00 H new ATOM 936 N VAL A 60 5.003 -9.851 -7.780 1.00 0.00 N ATOM 937 CA VAL A 60 5.990 -8.833 -7.463 1.00 0.00 C ATOM 938 C VAL A 60 6.774 -8.478 -8.728 1.00 0.00 C ATOM 939 O VAL A 60 7.063 -9.347 -9.548 1.00 0.00 O ATOM 940 CB VAL A 60 6.885 -9.311 -6.318 1.00 0.00 C ATOM 941 CG1 VAL A 60 7.841 -8.203 -5.871 1.00 0.00 C ATOM 942 CG2 VAL A 60 6.048 -9.821 -5.144 1.00 0.00 C ATOM 0 H VAL A 60 5.244 -10.791 -7.465 1.00 0.00 H new ATOM 0 HA VAL A 60 5.502 -7.922 -7.117 1.00 0.00 H new ATOM 0 HB VAL A 60 7.485 -10.143 -6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.466 -8.568 -5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.473 -7.908 -6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.266 -7.342 -5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.709 -10.155 -4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.410 -9.018 -4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.428 -10.655 -5.474 1.00 0.00 H new ATOM 952 N THR A 61 7.097 -7.198 -8.846 1.00 0.00 N ATOM 953 CA THR A 61 7.842 -6.717 -9.996 1.00 0.00 C ATOM 954 C THR A 61 9.236 -6.250 -9.572 1.00 0.00 C ATOM 955 O THR A 61 10.192 -6.360 -10.338 1.00 0.00 O ATOM 956 CB THR A 61 7.014 -5.622 -10.672 1.00 0.00 C ATOM 957 OG1 THR A 61 7.200 -4.482 -9.839 1.00 0.00 O ATOM 958 CG2 THR A 61 5.511 -5.896 -10.599 1.00 0.00 C ATOM 0 H THR A 61 6.856 -6.480 -8.163 1.00 0.00 H new ATOM 0 HA THR A 61 8.007 -7.514 -10.721 1.00 0.00 H new ATOM 0 HB THR A 61 7.316 -5.531 -11.715 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.479 -3.838 -10.000 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.970 -5.089 -11.093 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.289 -6.840 -11.096 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.202 -5.954 -9.555 1.00 0.00 H new ATOM 966 N ASP A 62 9.307 -5.738 -8.352 1.00 0.00 N ATOM 967 CA ASP A 62 10.568 -5.253 -7.816 1.00 0.00 C ATOM 968 C ASP A 62 10.511 -5.280 -6.287 1.00 0.00 C ATOM 969 O ASP A 62 9.515 -4.872 -5.692 1.00 0.00 O ATOM 970 CB ASP A 62 10.834 -3.812 -8.253 1.00 0.00 C ATOM 971 CG ASP A 62 12.139 -3.601 -9.025 1.00 0.00 C ATOM 972 OD1 ASP A 62 12.167 -3.995 -10.211 1.00 0.00 O ATOM 973 OD2 ASP A 62 13.078 -3.050 -8.412 1.00 0.00 O ATOM 0 H ASP A 62 8.512 -5.648 -7.719 1.00 0.00 H new ATOM 0 HA ASP A 62 11.364 -5.897 -8.191 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.003 -3.477 -8.875 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.846 -3.176 -7.368 1.00 0.00 H new ATOM 978 N VAL A 63 11.593 -5.766 -5.695 1.00 0.00 N ATOM 979 CA VAL A 63 11.679 -5.852 -4.248 1.00 0.00 C ATOM 980 C VAL A 63 13.129 -6.122 -3.842 1.00 0.00 C ATOM 981 O VAL A 63 13.635 -7.227 -4.031 1.00 0.00 O ATOM 982 CB VAL A 63 10.705 -6.912 -3.727 1.00 0.00 C ATOM 983 CG1 VAL A 63 10.906 -8.244 -4.453 1.00 0.00 C ATOM 984 CG2 VAL A 63 10.842 -7.086 -2.214 1.00 0.00 C ATOM 0 H VAL A 63 12.417 -6.104 -6.192 1.00 0.00 H new ATOM 0 HA VAL A 63 11.384 -4.907 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 63 9.692 -6.567 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.202 -8.980 -4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.734 -8.106 -5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.925 -8.596 -4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.139 -7.845 -1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.859 -7.398 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.626 -6.140 -1.718 1.00 0.00 H new ATOM 994 N GLU A 64 13.758 -5.093 -3.293 1.00 0.00 N ATOM 995 CA GLU A 64 15.140 -5.206 -2.859 1.00 0.00 C ATOM 996 C GLU A 64 15.427 -4.207 -1.736 1.00 0.00 C ATOM 997 O GLU A 64 15.566 -3.011 -1.985 1.00 0.00 O ATOM 998 CB GLU A 64 16.101 -5.003 -4.032 1.00 0.00 C ATOM 999 CG GLU A 64 17.548 -5.254 -3.605 1.00 0.00 C ATOM 1000 CD GLU A 64 18.168 -6.396 -4.414 1.00 0.00 C ATOM 1001 OE1 GLU A 64 17.789 -6.523 -5.598 1.00 0.00 O ATOM 1002 OE2 GLU A 64 19.008 -7.115 -3.830 1.00 0.00 O ATOM 0 H GLU A 64 13.336 -4.177 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 64 15.298 -6.213 -2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.836 -5.679 -4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.002 -3.988 -4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.134 -4.346 -3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.581 -5.496 -2.543 1.00 0.00 H new ATOM 1009 N ARG A 65 15.507 -4.735 -0.524 1.00 0.00 N ATOM 1010 CA ARG A 65 15.775 -3.905 0.638 1.00 0.00 C ATOM 1011 C ARG A 65 14.712 -2.812 0.766 1.00 0.00 C ATOM 1012 O ARG A 65 13.917 -2.604 -0.149 1.00 0.00 O ATOM 1013 CB ARG A 65 17.157 -3.255 0.544 1.00 0.00 C ATOM 1014 CG ARG A 65 18.096 -3.806 1.618 1.00 0.00 C ATOM 1015 CD ARG A 65 19.064 -4.832 1.026 1.00 0.00 C ATOM 1016 NE ARG A 65 20.383 -4.206 0.787 1.00 0.00 N ATOM 1017 CZ ARG A 65 21.471 -4.875 0.382 1.00 0.00 C ATOM 1018 NH1 ARG A 65 21.403 -6.196 0.168 1.00 0.00 N ATOM 1019 NH2 ARG A 65 22.626 -4.224 0.191 1.00 0.00 N ATOM 0 H ARG A 65 15.391 -5.728 -0.321 1.00 0.00 H new ATOM 0 HA ARG A 65 15.748 -4.548 1.518 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.582 -3.436 -0.443 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.063 -2.175 0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.658 -2.988 2.069 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.512 -4.268 2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.171 -5.677 1.706 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.664 -5.224 0.091 1.00 0.00 H new ATOM 0 HE ARG A 65 20.470 -3.201 0.940 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.523 -6.692 0.313 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.231 -6.706 -0.140 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.678 -3.218 0.354 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.454 -4.734 -0.117 1.00 0.00 H new ATOM 1033 N PRO A 66 14.733 -2.125 1.939 1.00 0.00 N ATOM 1034 CA PRO A 66 13.780 -1.058 2.199 1.00 0.00 C ATOM 1035 C PRO A 66 14.143 0.204 1.414 1.00 0.00 C ATOM 1036 O PRO A 66 14.579 1.197 1.994 1.00 0.00 O ATOM 1037 CB PRO A 66 13.820 -0.853 3.704 1.00 0.00 C ATOM 1038 CG PRO A 66 15.121 -1.482 4.177 1.00 0.00 C ATOM 1039 CD PRO A 66 15.659 -2.344 3.046 1.00 0.00 C ATOM 0 HA PRO A 66 12.771 -1.306 1.871 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.785 0.207 3.955 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.962 -1.323 4.185 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.843 -0.711 4.446 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.952 -2.085 5.069 1.00 0.00 H new ATOM 0 HD2 PRO A 66 16.674 -2.054 2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 66 15.693 -3.395 3.331 1.00 0.00 H new ATOM 1047 N ILE A 67 13.950 0.124 0.105 1.00 0.00 N ATOM 1048 CA ILE A 67 14.252 1.247 -0.766 1.00 0.00 C ATOM 1049 C ILE A 67 13.264 1.261 -1.934 1.00 0.00 C ATOM 1050 O ILE A 67 12.705 2.304 -2.267 1.00 0.00 O ATOM 1051 CB ILE A 67 15.718 1.209 -1.201 1.00 0.00 C ATOM 1052 CG1 ILE A 67 16.085 -0.161 -1.774 1.00 0.00 C ATOM 1053 CG2 ILE A 67 16.642 1.615 -0.051 1.00 0.00 C ATOM 1054 CD1 ILE A 67 16.160 -0.114 -3.302 1.00 0.00 C ATOM 0 H ILE A 67 13.588 -0.701 -0.373 1.00 0.00 H new ATOM 0 HA ILE A 67 14.127 2.188 -0.231 1.00 0.00 H new ATOM 0 HB ILE A 67 15.856 1.939 -1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 67 17.044 -0.483 -1.369 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.344 -0.899 -1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 67 17.678 1.579 -0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.399 2.628 0.271 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.508 0.927 0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 67 16.423 -1.101 -3.684 1.00 0.00 H new ATOM 0 HD12 ILE A 67 15.192 0.185 -3.705 1.00 0.00 H new ATOM 0 HD13 ILE A 67 16.919 0.607 -3.607 1.00 0.00 H new ATOM 1066 N LYS A 68 13.079 0.089 -2.524 1.00 0.00 N ATOM 1067 CA LYS A 68 12.168 -0.047 -3.648 1.00 0.00 C ATOM 1068 C LYS A 68 11.340 -1.322 -3.477 1.00 0.00 C ATOM 1069 O LYS A 68 11.875 -2.370 -3.118 1.00 0.00 O ATOM 1070 CB LYS A 68 12.936 0.015 -4.970 1.00 0.00 C ATOM 1071 CG LYS A 68 12.009 -0.264 -6.156 1.00 0.00 C ATOM 1072 CD LYS A 68 12.072 0.871 -7.180 1.00 0.00 C ATOM 1073 CE LYS A 68 10.698 1.123 -7.804 1.00 0.00 C ATOM 1074 NZ LYS A 68 10.833 1.439 -9.243 1.00 0.00 N ATOM 0 H LYS A 68 13.544 -0.775 -2.245 1.00 0.00 H new ATOM 0 HA LYS A 68 11.467 0.787 -3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.392 0.998 -5.084 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.747 -0.713 -4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.293 -1.203 -6.631 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.985 -0.383 -5.802 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.429 1.781 -6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.790 0.621 -7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.067 0.243 -7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.204 1.947 -7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.891 1.607 -9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.418 2.291 -9.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.285 0.641 -9.733 1.00 0.00 H new ATOM 1088 N LEU A 69 10.049 -1.191 -3.742 1.00 0.00 N ATOM 1089 CA LEU A 69 9.142 -2.320 -3.621 1.00 0.00 C ATOM 1090 C LEU A 69 7.888 -2.053 -4.456 1.00 0.00 C ATOM 1091 O LEU A 69 7.325 -0.960 -4.406 1.00 0.00 O ATOM 1092 CB LEU A 69 8.848 -2.617 -2.149 1.00 0.00 C ATOM 1093 CG LEU A 69 8.009 -3.866 -1.871 1.00 0.00 C ATOM 1094 CD1 LEU A 69 8.883 -5.122 -1.859 1.00 0.00 C ATOM 1095 CD2 LEU A 69 7.209 -3.712 -0.576 1.00 0.00 C ATOM 0 H LEU A 69 9.609 -0.320 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 69 9.604 -3.224 -4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.797 -2.717 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.335 -1.756 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 69 7.290 -3.982 -2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.262 -5.995 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.369 -5.236 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.641 -5.030 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.621 -4.613 -0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.893 -3.558 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.541 -2.855 -0.661 1.00 0.00 H new ATOM 1107 N SER A 70 7.486 -3.069 -5.205 1.00 0.00 N ATOM 1108 CA SER A 70 6.309 -2.958 -6.050 1.00 0.00 C ATOM 1109 C SER A 70 5.657 -4.331 -6.222 1.00 0.00 C ATOM 1110 O SER A 70 6.338 -5.355 -6.187 1.00 0.00 O ATOM 1111 CB SER A 70 6.665 -2.364 -7.414 1.00 0.00 C ATOM 1112 OG SER A 70 5.559 -1.688 -8.007 1.00 0.00 O ATOM 0 H SER A 70 7.955 -3.974 -5.244 1.00 0.00 H new ATOM 0 HA SER A 70 5.601 -2.286 -5.565 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.497 -1.669 -7.301 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.003 -3.159 -8.079 1.00 0.00 H new ATOM 0 HG SER A 70 5.797 -1.405 -8.914 1.00 0.00 H new ATOM 1118 N PHE A 71 4.345 -4.309 -6.405 1.00 0.00 N ATOM 1119 CA PHE A 71 3.593 -5.539 -6.583 1.00 0.00 C ATOM 1120 C PHE A 71 2.287 -5.280 -7.336 1.00 0.00 C ATOM 1121 O PHE A 71 1.636 -4.258 -7.124 1.00 0.00 O ATOM 1122 CB PHE A 71 3.266 -6.070 -5.186 1.00 0.00 C ATOM 1123 CG PHE A 71 2.116 -5.335 -4.495 1.00 0.00 C ATOM 1124 CD1 PHE A 71 2.371 -4.244 -3.725 1.00 0.00 C ATOM 1125 CD2 PHE A 71 0.838 -5.773 -4.651 1.00 0.00 C ATOM 1126 CE1 PHE A 71 1.304 -3.562 -3.084 1.00 0.00 C ATOM 1127 CE2 PHE A 71 -0.230 -5.091 -4.009 1.00 0.00 C ATOM 1128 CZ PHE A 71 0.026 -4.000 -3.239 1.00 0.00 C ATOM 0 H PHE A 71 3.783 -3.458 -6.434 1.00 0.00 H new ATOM 0 HA PHE A 71 4.179 -6.252 -7.162 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.015 -7.128 -5.260 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.157 -5.997 -4.563 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.386 -3.896 -3.601 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.635 -6.639 -5.263 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.507 -2.695 -2.473 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.245 -5.439 -4.132 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.786 -3.481 -2.751 1.00 0.00 H new ATOM 1138 N THR A 72 1.942 -6.223 -8.201 1.00 0.00 N ATOM 1139 CA THR A 72 0.725 -6.109 -8.987 1.00 0.00 C ATOM 1140 C THR A 72 -0.469 -6.657 -8.203 1.00 0.00 C ATOM 1141 O THR A 72 -0.303 -7.495 -7.318 1.00 0.00 O ATOM 1142 CB THR A 72 0.955 -6.821 -10.321 1.00 0.00 C ATOM 1143 OG1 THR A 72 1.360 -8.135 -9.948 1.00 0.00 O ATOM 1144 CG2 THR A 72 2.159 -6.263 -11.083 1.00 0.00 C ATOM 0 H THR A 72 2.484 -7.069 -8.375 1.00 0.00 H new ATOM 0 HA THR A 72 0.485 -5.066 -9.196 1.00 0.00 H new ATOM 0 HB THR A 72 0.061 -6.732 -10.938 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.336 -8.166 -9.869 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.277 -6.803 -12.022 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.000 -5.205 -11.291 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.059 -6.383 -10.480 1.00 0.00 H new ATOM 1152 N TRP A 73 -1.646 -6.162 -8.557 1.00 0.00 N ATOM 1153 CA TRP A 73 -2.867 -6.592 -7.897 1.00 0.00 C ATOM 1154 C TRP A 73 -4.021 -6.431 -8.889 1.00 0.00 C ATOM 1155 O TRP A 73 -4.193 -5.366 -9.479 1.00 0.00 O ATOM 1156 CB TRP A 73 -3.087 -5.823 -6.594 1.00 0.00 C ATOM 1157 CG TRP A 73 -4.415 -6.138 -5.901 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -5.164 -7.243 -6.017 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -5.124 -5.288 -4.975 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -6.299 -7.168 -5.237 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -6.274 -5.941 -4.583 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -4.804 -4.009 -4.485 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -7.198 -5.395 -3.683 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -5.737 -3.477 -3.587 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -6.900 -4.122 -3.182 1.00 0.00 C ATOM 0 H TRP A 73 -1.780 -5.468 -9.292 1.00 0.00 H new ATOM 0 HA TRP A 73 -2.800 -7.641 -7.607 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -2.269 -6.048 -5.909 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -3.043 -4.754 -6.803 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -4.911 -8.086 -6.643 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -7.023 -7.881 -5.155 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -3.910 -3.479 -4.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -8.092 -5.927 -3.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -5.539 -2.496 -3.180 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -7.571 -3.643 -2.484 1.00 0.00 H new ATOM 1176 N ASP A 74 -4.783 -7.504 -9.041 1.00 0.00 N ATOM 1177 CA ASP A 74 -5.916 -7.495 -9.950 1.00 0.00 C ATOM 1178 C ASP A 74 -5.413 -7.643 -11.387 1.00 0.00 C ATOM 1179 O ASP A 74 -4.209 -7.598 -11.634 1.00 0.00 O ATOM 1180 CB ASP A 74 -6.689 -6.178 -9.854 1.00 0.00 C ATOM 1181 CG ASP A 74 -8.210 -6.325 -9.769 1.00 0.00 C ATOM 1182 OD1 ASP A 74 -8.699 -6.516 -8.635 1.00 0.00 O ATOM 1183 OD2 ASP A 74 -8.848 -6.244 -10.841 1.00 0.00 O ATOM 0 H ASP A 74 -4.638 -8.386 -8.550 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.573 -8.320 -9.677 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.342 -5.634 -8.976 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.446 -5.567 -10.724 1.00 0.00 H new ATOM 1188 N THR A 75 -6.360 -7.818 -12.297 1.00 0.00 N ATOM 1189 CA THR A 75 -6.027 -7.973 -13.703 1.00 0.00 C ATOM 1190 C THR A 75 -6.334 -6.685 -14.469 1.00 0.00 C ATOM 1191 O THR A 75 -5.620 -6.331 -15.406 1.00 0.00 O ATOM 1192 CB THR A 75 -6.783 -9.192 -14.236 1.00 0.00 C ATOM 1193 OG1 THR A 75 -8.153 -8.882 -13.998 1.00 0.00 O ATOM 1194 CG2 THR A 75 -6.533 -10.448 -13.398 1.00 0.00 C ATOM 0 H THR A 75 -7.358 -7.856 -12.088 1.00 0.00 H new ATOM 0 HA THR A 75 -4.960 -8.149 -13.840 1.00 0.00 H new ATOM 0 HB THR A 75 -6.488 -9.380 -15.268 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.715 -9.619 -14.315 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.092 -11.283 -13.819 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.469 -10.684 -13.404 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.859 -10.272 -12.373 1.00 0.00 H new ATOM 1202 N ASP A 76 -7.397 -6.020 -14.042 1.00 0.00 N ATOM 1203 CA ASP A 76 -7.807 -4.778 -14.677 1.00 0.00 C ATOM 1204 C ASP A 76 -6.567 -3.944 -15.005 1.00 0.00 C ATOM 1205 O ASP A 76 -6.274 -3.694 -16.173 1.00 0.00 O ATOM 1206 CB ASP A 76 -8.700 -3.954 -13.747 1.00 0.00 C ATOM 1207 CG ASP A 76 -9.483 -2.831 -14.431 1.00 0.00 C ATOM 1208 OD1 ASP A 76 -8.995 -2.355 -15.478 1.00 0.00 O ATOM 1209 OD2 ASP A 76 -10.551 -2.474 -13.890 1.00 0.00 O ATOM 0 H ASP A 76 -7.987 -6.317 -13.265 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.361 -5.028 -15.582 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.407 -4.624 -13.259 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.080 -3.519 -12.963 1.00 0.00 H new ATOM 1214 N GLY A 77 -5.873 -3.536 -13.953 1.00 0.00 N ATOM 1215 CA GLY A 77 -4.671 -2.735 -14.114 1.00 0.00 C ATOM 1216 C GLY A 77 -4.470 -1.802 -12.919 1.00 0.00 C ATOM 1217 O GLY A 77 -4.529 -0.581 -13.062 1.00 0.00 O ATOM 0 H GLY A 77 -6.120 -3.745 -12.986 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.805 -3.389 -14.219 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.740 -2.149 -15.030 1.00 0.00 H new ATOM 1221 N TRP A 78 -4.236 -2.411 -11.766 1.00 0.00 N ATOM 1222 CA TRP A 78 -4.025 -1.650 -10.546 1.00 0.00 C ATOM 1223 C TRP A 78 -2.693 -2.092 -9.937 1.00 0.00 C ATOM 1224 O TRP A 78 -2.573 -3.213 -9.445 1.00 0.00 O ATOM 1225 CB TRP A 78 -5.205 -1.815 -9.586 1.00 0.00 C ATOM 1226 CG TRP A 78 -6.354 -0.837 -9.839 1.00 0.00 C ATOM 1227 CD1 TRP A 78 -6.298 0.370 -10.419 1.00 0.00 C ATOM 1228 CD2 TRP A 78 -7.742 -1.032 -9.493 1.00 0.00 C ATOM 1229 NE1 TRP A 78 -7.542 0.964 -10.473 1.00 0.00 N ATOM 1230 CE2 TRP A 78 -8.448 0.084 -9.891 1.00 0.00 C ATOM 1231 CE3 TRP A 78 -8.378 -2.117 -8.864 1.00 0.00 C ATOM 1232 CZ2 TRP A 78 -9.829 0.224 -9.706 1.00 0.00 C ATOM 1233 CZ3 TRP A 78 -9.758 -1.961 -8.686 1.00 0.00 C ATOM 1234 CH2 TRP A 78 -10.484 -0.844 -9.081 1.00 0.00 C ATOM 0 H TRP A 78 -4.188 -3.423 -11.651 1.00 0.00 H new ATOM 0 HA TRP A 78 -3.972 -0.583 -10.762 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.585 -2.834 -9.665 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.849 -1.685 -8.564 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.392 0.821 -10.797 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -7.757 1.880 -10.867 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -7.845 -3.000 -8.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.360 1.108 -10.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -10.296 -2.766 -8.208 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -11.549 -0.800 -8.907 1.00 0.00 H new ATOM 1245 N SER A 79 -1.726 -1.188 -9.990 1.00 0.00 N ATOM 1246 CA SER A 79 -0.407 -1.471 -9.449 1.00 0.00 C ATOM 1247 C SER A 79 -0.006 -0.383 -8.452 1.00 0.00 C ATOM 1248 O SER A 79 -0.283 0.796 -8.668 1.00 0.00 O ATOM 1249 CB SER A 79 0.634 -1.578 -10.565 1.00 0.00 C ATOM 1250 OG SER A 79 0.105 -1.185 -11.829 1.00 0.00 O ATOM 0 H SER A 79 -1.829 -0.259 -10.399 1.00 0.00 H new ATOM 0 HA SER A 79 -0.447 -2.430 -8.933 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.492 -0.952 -10.321 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.995 -2.605 -10.627 1.00 0.00 H new ATOM 0 HG SER A 79 0.801 -1.266 -12.514 1.00 0.00 H new ATOM 1256 N VAL A 80 0.641 -0.816 -7.380 1.00 0.00 N ATOM 1257 CA VAL A 80 1.083 0.106 -6.348 1.00 0.00 C ATOM 1258 C VAL A 80 2.569 -0.124 -6.066 1.00 0.00 C ATOM 1259 O VAL A 80 3.034 -1.263 -6.061 1.00 0.00 O ATOM 1260 CB VAL A 80 0.208 -0.044 -5.102 1.00 0.00 C ATOM 1261 CG1 VAL A 80 0.179 -1.497 -4.624 1.00 0.00 C ATOM 1262 CG2 VAL A 80 0.678 0.891 -3.986 1.00 0.00 C ATOM 0 H VAL A 80 0.870 -1.794 -7.204 1.00 0.00 H new ATOM 0 HA VAL A 80 0.972 1.137 -6.685 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.809 0.240 -5.371 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.450 -1.576 -3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.225 -2.132 -5.413 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.191 -1.820 -4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.039 0.764 -3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.708 0.652 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.623 1.924 -4.329 1.00 0.00 H new ATOM 1272 N THR A 81 3.273 0.975 -5.839 1.00 0.00 N ATOM 1273 CA THR A 81 4.696 0.907 -5.557 1.00 0.00 C ATOM 1274 C THR A 81 5.006 1.564 -4.210 1.00 0.00 C ATOM 1275 O THR A 81 4.485 2.636 -3.904 1.00 0.00 O ATOM 1276 CB THR A 81 5.442 1.546 -6.730 1.00 0.00 C ATOM 1277 OG1 THR A 81 4.864 0.937 -7.882 1.00 0.00 O ATOM 1278 CG2 THR A 81 6.913 1.129 -6.787 1.00 0.00 C ATOM 0 H THR A 81 2.884 1.918 -5.845 1.00 0.00 H new ATOM 0 HA THR A 81 5.031 -0.126 -5.464 1.00 0.00 H new ATOM 0 HB THR A 81 5.376 2.631 -6.654 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.042 -0.027 -7.867 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.395 1.611 -7.638 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.413 1.432 -5.867 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.980 0.047 -6.897 1.00 0.00 H new ATOM 1286 N PHE A 82 5.851 0.894 -3.442 1.00 0.00 N ATOM 1287 CA PHE A 82 6.236 1.400 -2.135 1.00 0.00 C ATOM 1288 C PHE A 82 7.682 1.901 -2.144 1.00 0.00 C ATOM 1289 O PHE A 82 8.529 1.350 -2.847 1.00 0.00 O ATOM 1290 CB PHE A 82 6.120 0.233 -1.152 1.00 0.00 C ATOM 1291 CG PHE A 82 4.685 -0.242 -0.917 1.00 0.00 C ATOM 1292 CD1 PHE A 82 3.694 0.666 -0.707 1.00 0.00 C ATOM 1293 CD2 PHE A 82 4.399 -1.571 -0.917 1.00 0.00 C ATOM 1294 CE1 PHE A 82 2.362 0.226 -0.488 1.00 0.00 C ATOM 1295 CE2 PHE A 82 3.067 -2.012 -0.698 1.00 0.00 C ATOM 1296 CZ PHE A 82 2.077 -1.104 -0.489 1.00 0.00 C ATOM 0 H PHE A 82 6.280 0.005 -3.699 1.00 0.00 H new ATOM 0 HA PHE A 82 5.593 2.234 -1.855 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.712 -0.603 -1.525 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.554 0.531 -0.198 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.921 1.722 -0.707 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.186 -2.292 -1.084 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.575 0.947 -0.321 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.841 -3.068 -0.697 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.064 -1.439 -0.324 1.00 0.00 H new ATOM 1306 N HIS A 83 7.920 2.940 -1.357 1.00 0.00 N ATOM 1307 CA HIS A 83 9.248 3.521 -1.266 1.00 0.00 C ATOM 1308 C HIS A 83 9.578 3.822 0.197 1.00 0.00 C ATOM 1309 O HIS A 83 8.903 4.629 0.835 1.00 0.00 O ATOM 1310 CB HIS A 83 9.365 4.753 -2.166 1.00 0.00 C ATOM 1311 CG HIS A 83 9.249 4.449 -3.641 1.00 0.00 C ATOM 1312 ND1 HIS A 83 10.350 4.344 -4.473 1.00 0.00 N ATOM 1313 CD2 HIS A 83 8.154 4.229 -4.422 1.00 0.00 C ATOM 1314 CE1 HIS A 83 9.924 4.074 -5.698 1.00 0.00 C ATOM 1315 NE2 HIS A 83 8.563 4.003 -5.665 1.00 0.00 N ATOM 0 H HIS A 83 7.215 3.394 -0.776 1.00 0.00 H new ATOM 0 HA HIS A 83 9.987 2.806 -1.629 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.589 5.467 -1.890 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.324 5.237 -1.979 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.127 4.237 -4.087 1.00 0.00 H new ATOM 0 HE1 HIS A 83 10.546 3.935 -6.570 1.00 0.00 H new ATOM 0 HE2 HIS A 83 7.959 3.808 -6.463 1.00 0.00 H new ATOM 1323 N LEU A 84 10.614 3.158 0.686 1.00 0.00 N ATOM 1324 CA LEU A 84 11.041 3.344 2.062 1.00 0.00 C ATOM 1325 C LEU A 84 12.430 3.986 2.078 1.00 0.00 C ATOM 1326 O LEU A 84 13.194 3.843 1.125 1.00 0.00 O ATOM 1327 CB LEU A 84 10.965 2.023 2.831 1.00 0.00 C ATOM 1328 CG LEU A 84 9.574 1.609 3.315 1.00 0.00 C ATOM 1329 CD1 LEU A 84 8.914 0.646 2.326 1.00 0.00 C ATOM 1330 CD2 LEU A 84 9.637 1.025 4.728 1.00 0.00 C ATOM 0 H LEU A 84 11.171 2.490 0.154 1.00 0.00 H new ATOM 0 HA LEU A 84 10.368 4.026 2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.357 1.231 2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.624 2.091 3.696 1.00 0.00 H new ATOM 0 HG LEU A 84 8.949 2.501 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.926 0.367 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.816 1.132 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.529 -0.248 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.635 0.739 5.048 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.283 0.147 4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.037 1.772 5.413 1.00 0.00 H new ATOM 1342 N LYS A 85 12.715 4.678 3.172 1.00 0.00 N ATOM 1343 CA LYS A 85 13.998 5.341 3.324 1.00 0.00 C ATOM 1344 C LYS A 85 14.147 5.830 4.767 1.00 0.00 C ATOM 1345 O LYS A 85 13.416 6.717 5.204 1.00 0.00 O ATOM 1346 CB LYS A 85 14.156 6.449 2.281 1.00 0.00 C ATOM 1347 CG LYS A 85 12.999 7.447 2.360 1.00 0.00 C ATOM 1348 CD LYS A 85 12.813 8.177 1.029 1.00 0.00 C ATOM 1349 CE LYS A 85 13.881 9.256 0.841 1.00 0.00 C ATOM 1350 NZ LYS A 85 14.256 9.371 -0.586 1.00 0.00 N ATOM 0 H LYS A 85 12.079 4.793 3.961 1.00 0.00 H new ATOM 0 HA LYS A 85 14.812 4.641 3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.101 6.969 2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.196 6.011 1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.080 6.924 2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.192 8.171 3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.865 7.462 0.208 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.823 8.631 0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.507 10.214 1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.761 9.012 1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.982 10.108 -0.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.633 8.461 -0.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.417 9.625 -1.146 1.00 0.00 H new ATOM 1364 N GLU A 86 15.098 5.229 5.466 1.00 0.00 N ATOM 1365 CA GLU A 86 15.352 5.591 6.850 1.00 0.00 C ATOM 1366 C GLU A 86 15.845 7.037 6.938 1.00 0.00 C ATOM 1367 O GLU A 86 16.622 7.484 6.095 1.00 0.00 O ATOM 1368 CB GLU A 86 16.353 4.630 7.494 1.00 0.00 C ATOM 1369 CG GLU A 86 16.224 4.644 9.019 1.00 0.00 C ATOM 1370 CD GLU A 86 17.202 5.641 9.643 1.00 0.00 C ATOM 1371 OE1 GLU A 86 18.162 6.013 8.934 1.00 0.00 O ATOM 1372 OE2 GLU A 86 16.968 6.008 10.814 1.00 0.00 O ATOM 0 H GLU A 86 15.702 4.493 5.100 1.00 0.00 H new ATOM 0 HA GLU A 86 14.416 5.512 7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.185 3.620 7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.367 4.910 7.209 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.204 4.906 9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.416 3.646 9.413 1.00 0.00 H new ATOM 1379 N GLU A 87 15.374 7.728 7.966 1.00 0.00 N ATOM 1380 CA GLU A 87 15.757 9.114 8.175 1.00 0.00 C ATOM 1381 C GLU A 87 16.111 9.351 9.645 1.00 0.00 C ATOM 1382 O GLU A 87 16.184 8.406 10.429 1.00 0.00 O ATOM 1383 CB GLU A 87 14.649 10.064 7.718 1.00 0.00 C ATOM 1384 CG GLU A 87 15.013 10.732 6.390 1.00 0.00 C ATOM 1385 CD GLU A 87 15.759 12.047 6.624 1.00 0.00 C ATOM 1386 OE1 GLU A 87 16.901 11.971 7.125 1.00 0.00 O ATOM 1387 OE2 GLU A 87 15.169 13.100 6.297 1.00 0.00 O ATOM 0 H GLU A 87 14.730 7.354 8.663 1.00 0.00 H new ATOM 0 HA GLU A 87 16.640 9.322 7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.715 9.513 7.608 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.482 10.826 8.479 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.633 10.059 5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 87 14.107 10.921 5.814 1.00 0.00 H new ATOM 1394 N GLU A 88 16.321 10.617 9.973 1.00 0.00 N ATOM 1395 CA GLU A 88 16.665 10.990 11.334 1.00 0.00 C ATOM 1396 C GLU A 88 15.451 10.830 12.251 1.00 0.00 C ATOM 1397 O GLU A 88 15.514 10.118 13.252 1.00 0.00 O ATOM 1398 CB GLU A 88 17.210 12.418 11.390 1.00 0.00 C ATOM 1399 CG GLU A 88 18.711 12.445 11.091 1.00 0.00 C ATOM 1400 CD GLU A 88 19.504 12.931 12.306 1.00 0.00 C ATOM 1401 OE1 GLU A 88 19.187 14.042 12.783 1.00 0.00 O ATOM 1402 OE2 GLU A 88 20.408 12.180 12.731 1.00 0.00 O ATOM 0 H GLU A 88 16.260 11.398 9.319 1.00 0.00 H new ATOM 0 HA GLU A 88 17.452 10.322 11.685 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.681 13.041 10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.024 12.843 12.376 1.00 0.00 H new ATOM 0 HG2 GLU A 88 19.047 11.447 10.808 1.00 0.00 H new ATOM 0 HG3 GLU A 88 18.904 13.099 10.241 1.00 0.00 H new ATOM 1409 N ASN A 89 14.374 11.505 11.877 1.00 0.00 N ATOM 1410 CA ASN A 89 13.147 11.447 12.654 1.00 0.00 C ATOM 1411 C ASN A 89 12.746 9.984 12.856 1.00 0.00 C ATOM 1412 O ASN A 89 12.363 9.588 13.956 1.00 0.00 O ATOM 1413 CB ASN A 89 12.002 12.156 11.929 1.00 0.00 C ATOM 1414 CG ASN A 89 12.266 13.659 11.825 1.00 0.00 C ATOM 1415 OD1 ASN A 89 13.363 14.140 12.055 1.00 0.00 O ATOM 1416 ND2 ASN A 89 11.202 14.372 11.466 1.00 0.00 N ATOM 0 H ASN A 89 14.325 12.095 11.046 1.00 0.00 H new ATOM 0 HA ASN A 89 13.328 11.940 13.609 1.00 0.00 H new ATOM 0 HB2 ASN A 89 11.882 11.734 10.931 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.067 11.983 12.462 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.276 15.385 11.369 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.312 13.906 11.288 1.00 0.00 H new ATOM 1423 N GLY A 90 12.846 9.222 11.777 1.00 0.00 N ATOM 1424 CA GLY A 90 12.498 7.812 11.822 1.00 0.00 C ATOM 1425 C GLY A 90 12.556 7.188 10.426 1.00 0.00 C ATOM 1426 O GLY A 90 13.559 7.316 9.726 1.00 0.00 O ATOM 0 H GLY A 90 13.163 9.554 10.866 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.182 7.286 12.488 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.496 7.694 12.236 1.00 0.00 H new ATOM 1430 N THR A 91 11.467 6.526 10.064 1.00 0.00 N ATOM 1431 CA THR A 91 11.381 5.882 8.764 1.00 0.00 C ATOM 1432 C THR A 91 10.406 6.637 7.858 1.00 0.00 C ATOM 1433 O THR A 91 9.361 7.099 8.314 1.00 0.00 O ATOM 1434 CB THR A 91 10.995 4.418 8.986 1.00 0.00 C ATOM 1435 OG1 THR A 91 12.026 3.911 9.829 1.00 0.00 O ATOM 1436 CG2 THR A 91 11.111 3.582 7.710 1.00 0.00 C ATOM 0 H THR A 91 10.637 6.422 10.648 1.00 0.00 H new ATOM 0 HA THR A 91 12.340 5.905 8.247 1.00 0.00 H new ATOM 0 HB THR A 91 9.973 4.365 9.362 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.717 3.908 10.759 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.826 2.552 7.923 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.450 3.991 6.946 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.140 3.607 7.351 1.00 0.00 H new ATOM 1444 N ILE A 92 10.782 6.738 6.592 1.00 0.00 N ATOM 1445 CA ILE A 92 9.954 7.429 5.618 1.00 0.00 C ATOM 1446 C ILE A 92 9.271 6.400 4.715 1.00 0.00 C ATOM 1447 O ILE A 92 9.932 5.538 4.138 1.00 0.00 O ATOM 1448 CB ILE A 92 10.778 8.467 4.854 1.00 0.00 C ATOM 1449 CG1 ILE A 92 11.368 9.508 5.807 1.00 0.00 C ATOM 1450 CG2 ILE A 92 9.951 9.112 3.740 1.00 0.00 C ATOM 1451 CD1 ILE A 92 10.314 10.005 6.797 1.00 0.00 C ATOM 0 H ILE A 92 11.649 6.353 6.218 1.00 0.00 H new ATOM 0 HA ILE A 92 9.164 7.989 6.118 1.00 0.00 H new ATOM 0 HB ILE A 92 11.615 7.956 4.378 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.207 9.074 6.351 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.760 10.349 5.235 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.560 9.846 3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.621 8.344 3.040 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.081 9.606 4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.760 10.744 7.463 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.488 10.460 6.251 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.942 9.165 7.384 1.00 0.00 H new ATOM 1463 N PHE A 93 7.955 6.524 4.620 1.00 0.00 N ATOM 1464 CA PHE A 93 7.175 5.616 3.797 1.00 0.00 C ATOM 1465 C PHE A 93 6.350 6.385 2.763 1.00 0.00 C ATOM 1466 O PHE A 93 5.530 7.229 3.121 1.00 0.00 O ATOM 1467 CB PHE A 93 6.225 4.867 4.734 1.00 0.00 C ATOM 1468 CG PHE A 93 5.508 3.685 4.079 1.00 0.00 C ATOM 1469 CD1 PHE A 93 4.408 3.900 3.309 1.00 0.00 C ATOM 1470 CD2 PHE A 93 5.970 2.420 4.266 1.00 0.00 C ATOM 1471 CE1 PHE A 93 3.742 2.803 2.700 1.00 0.00 C ATOM 1472 CE2 PHE A 93 5.304 1.323 3.658 1.00 0.00 C ATOM 1473 CZ PHE A 93 4.204 1.538 2.888 1.00 0.00 C ATOM 0 H PHE A 93 7.409 7.240 5.100 1.00 0.00 H new ATOM 0 HA PHE A 93 7.838 4.937 3.261 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.789 4.505 5.594 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.480 5.566 5.113 1.00 0.00 H new ATOM 0 HD1 PHE A 93 4.041 4.905 3.160 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.844 2.249 4.877 1.00 0.00 H new ATOM 0 HE1 PHE A 93 2.869 2.974 2.088 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.671 0.318 3.807 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.697 0.704 2.426 1.00 0.00 H new ATOM 1483 N THR A 94 6.596 6.065 1.501 1.00 0.00 N ATOM 1484 CA THR A 94 5.886 6.715 0.412 1.00 0.00 C ATOM 1485 C THR A 94 5.141 5.680 -0.432 1.00 0.00 C ATOM 1486 O THR A 94 5.731 4.698 -0.880 1.00 0.00 O ATOM 1487 CB THR A 94 6.899 7.537 -0.388 1.00 0.00 C ATOM 1488 OG1 THR A 94 7.242 8.610 0.484 1.00 0.00 O ATOM 1489 CG2 THR A 94 6.266 8.228 -1.598 1.00 0.00 C ATOM 0 H THR A 94 7.277 5.364 1.208 1.00 0.00 H new ATOM 0 HA THR A 94 5.120 7.393 0.788 1.00 0.00 H new ATOM 0 HB THR A 94 7.709 6.889 -0.722 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.897 9.192 0.045 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.027 8.798 -2.131 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.841 7.477 -2.265 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.478 8.902 -1.261 1.00 0.00 H new ATOM 1497 N ILE A 95 3.855 5.934 -0.623 1.00 0.00 N ATOM 1498 CA ILE A 95 3.023 5.036 -1.406 1.00 0.00 C ATOM 1499 C ILE A 95 2.689 5.695 -2.746 1.00 0.00 C ATOM 1500 O ILE A 95 2.601 6.919 -2.836 1.00 0.00 O ATOM 1501 CB ILE A 95 1.790 4.614 -0.605 1.00 0.00 C ATOM 1502 CG1 ILE A 95 0.808 3.833 -1.480 1.00 0.00 C ATOM 1503 CG2 ILE A 95 1.128 5.822 0.061 1.00 0.00 C ATOM 1504 CD1 ILE A 95 -0.168 4.777 -2.187 1.00 0.00 C ATOM 0 H ILE A 95 3.369 6.749 -0.249 1.00 0.00 H new ATOM 0 HA ILE A 95 3.562 4.115 -1.629 1.00 0.00 H new ATOM 0 HB ILE A 95 2.114 3.945 0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.358 3.252 -2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.253 3.124 -0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.254 5.494 0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.837 6.299 0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.820 6.536 -0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.855 4.196 -2.802 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.733 5.339 -1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.389 5.469 -2.819 1.00 0.00 H new ATOM 1516 N VAL A 96 2.512 4.854 -3.755 1.00 0.00 N ATOM 1517 CA VAL A 96 2.190 5.339 -5.086 1.00 0.00 C ATOM 1518 C VAL A 96 1.238 4.354 -5.767 1.00 0.00 C ATOM 1519 O VAL A 96 1.650 3.269 -6.175 1.00 0.00 O ATOM 1520 CB VAL A 96 3.475 5.576 -5.882 1.00 0.00 C ATOM 1521 CG1 VAL A 96 3.164 6.121 -7.277 1.00 0.00 C ATOM 1522 CG2 VAL A 96 4.424 6.510 -5.127 1.00 0.00 C ATOM 0 H VAL A 96 2.586 3.840 -3.677 1.00 0.00 H new ATOM 0 HA VAL A 96 1.677 6.299 -5.029 1.00 0.00 H new ATOM 0 HB VAL A 96 3.976 4.615 -6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.095 6.280 -7.821 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.546 5.405 -7.818 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.630 7.067 -7.187 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.329 6.662 -5.715 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.934 7.470 -4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.685 6.065 -4.167 1.00 0.00 H new ATOM 1532 N HIS A 97 -0.017 4.767 -5.868 1.00 0.00 N ATOM 1533 CA HIS A 97 -1.030 3.934 -6.492 1.00 0.00 C ATOM 1534 C HIS A 97 -1.495 4.583 -7.797 1.00 0.00 C ATOM 1535 O HIS A 97 -2.080 5.665 -7.783 1.00 0.00 O ATOM 1536 CB HIS A 97 -2.182 3.661 -5.523 1.00 0.00 C ATOM 1537 CG HIS A 97 -3.137 2.588 -5.989 1.00 0.00 C ATOM 1538 ND1 HIS A 97 -4.509 2.693 -5.847 1.00 0.00 N ATOM 1539 CD2 HIS A 97 -2.903 1.390 -6.598 1.00 0.00 C ATOM 1540 CE1 HIS A 97 -5.066 1.600 -6.350 1.00 0.00 C ATOM 1541 NE2 HIS A 97 -4.069 0.794 -6.814 1.00 0.00 N ATOM 0 H HIS A 97 -0.355 5.667 -5.528 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.604 2.962 -6.741 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.769 3.371 -4.557 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.738 4.585 -5.367 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -5.007 3.478 -5.427 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.933 0.994 -6.860 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.124 1.386 -6.386 1.00 0.00 H new ATOM 1549 N SER A 98 -1.218 3.895 -8.895 1.00 0.00 N ATOM 1550 CA SER A 98 -1.601 4.391 -10.206 1.00 0.00 C ATOM 1551 C SER A 98 -2.323 3.293 -10.990 1.00 0.00 C ATOM 1552 O SER A 98 -2.196 2.112 -10.672 1.00 0.00 O ATOM 1553 CB SER A 98 -0.381 4.885 -10.985 1.00 0.00 C ATOM 1554 OG SER A 98 0.331 5.897 -10.278 1.00 0.00 O ATOM 0 H SER A 98 -0.733 2.998 -8.904 1.00 0.00 H new ATOM 0 HA SER A 98 -2.277 5.235 -10.069 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.285 4.046 -11.185 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.701 5.275 -11.951 1.00 0.00 H new ATOM 0 HG SER A 98 1.104 6.184 -10.808 1.00 0.00 H new ATOM 1560 N GLY A 99 -3.065 3.723 -12.000 1.00 0.00 N ATOM 1561 CA GLY A 99 -3.807 2.791 -12.833 1.00 0.00 C ATOM 1562 C GLY A 99 -5.232 3.292 -13.079 1.00 0.00 C ATOM 1563 O GLY A 99 -6.198 2.571 -12.833 1.00 0.00 O ATOM 0 H GLY A 99 -3.168 4.704 -12.260 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.294 2.661 -13.786 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.839 1.813 -12.352 1.00 0.00 H new ATOM 1567 N TRP A 100 -5.317 4.522 -13.563 1.00 0.00 N ATOM 1568 CA TRP A 100 -6.608 5.127 -13.845 1.00 0.00 C ATOM 1569 C TRP A 100 -6.611 5.572 -15.309 1.00 0.00 C ATOM 1570 O TRP A 100 -5.573 5.555 -15.969 1.00 0.00 O ATOM 1571 CB TRP A 100 -6.902 6.271 -12.872 1.00 0.00 C ATOM 1572 CG TRP A 100 -6.531 5.963 -11.420 1.00 0.00 C ATOM 1573 CD1 TRP A 100 -5.384 6.243 -10.785 1.00 0.00 C ATOM 1574 CD2 TRP A 100 -7.361 5.302 -10.442 1.00 0.00 C ATOM 1575 NE1 TRP A 100 -5.414 5.812 -9.474 1.00 0.00 N ATOM 1576 CE2 TRP A 100 -6.654 5.222 -9.259 1.00 0.00 C ATOM 1577 CE3 TRP A 100 -8.665 4.789 -10.553 1.00 0.00 C ATOM 1578 CZ2 TRP A 100 -7.169 4.635 -8.097 1.00 0.00 C ATOM 1579 CZ3 TRP A 100 -9.165 4.206 -9.383 1.00 0.00 C ATOM 1580 CH2 TRP A 100 -8.467 4.117 -8.184 1.00 0.00 C ATOM 0 H TRP A 100 -4.513 5.116 -13.767 1.00 0.00 H new ATOM 0 HA TRP A 100 -7.412 4.406 -13.698 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -6.357 7.158 -13.195 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -7.964 6.513 -12.922 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.543 6.743 -11.242 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -4.664 5.909 -8.789 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -9.236 4.841 -11.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -6.596 4.584 -7.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -10.164 3.796 -9.414 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -8.924 3.651 -7.324 1.00 0.00 H new ATOM 1591 N LYS A 101 -7.789 5.961 -15.774 1.00 0.00 N ATOM 1592 CA LYS A 101 -7.941 6.410 -17.147 1.00 0.00 C ATOM 1593 C LYS A 101 -8.408 7.867 -17.155 1.00 0.00 C ATOM 1594 O LYS A 101 -8.452 8.513 -16.109 1.00 0.00 O ATOM 1595 CB LYS A 101 -8.863 5.465 -17.921 1.00 0.00 C ATOM 1596 CG LYS A 101 -8.250 4.067 -18.029 1.00 0.00 C ATOM 1597 CD LYS A 101 -9.051 3.190 -18.993 1.00 0.00 C ATOM 1598 CE LYS A 101 -8.201 2.782 -20.198 1.00 0.00 C ATOM 1599 NZ LYS A 101 -7.563 1.468 -19.962 1.00 0.00 N ATOM 0 H LYS A 101 -8.648 5.974 -15.224 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.983 6.379 -17.665 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.830 5.404 -17.421 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.044 5.865 -18.919 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.219 4.144 -18.373 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.223 3.601 -17.044 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.403 2.299 -18.473 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.935 3.730 -19.333 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.824 2.735 -21.091 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.436 3.536 -20.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.990 1.207 -20.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -6.952 1.524 -19.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.298 0.748 -19.808 1.00 0.00 H new ATOM 1613 N GLN A 102 -8.745 8.341 -18.345 1.00 0.00 N ATOM 1614 CA GLN A 102 -9.206 9.710 -18.502 1.00 0.00 C ATOM 1615 C GLN A 102 -10.326 10.010 -17.504 1.00 0.00 C ATOM 1616 O GLN A 102 -11.127 9.134 -17.182 1.00 0.00 O ATOM 1617 CB GLN A 102 -9.667 9.972 -19.937 1.00 0.00 C ATOM 1618 CG GLN A 102 -10.330 11.345 -20.058 1.00 0.00 C ATOM 1619 CD GLN A 102 -11.031 11.498 -21.410 1.00 0.00 C ATOM 1620 OE1 GLN A 102 -10.538 12.137 -22.325 1.00 0.00 O ATOM 1621 NE2 GLN A 102 -12.206 10.879 -21.483 1.00 0.00 N ATOM 0 H GLN A 102 -8.708 7.802 -19.210 1.00 0.00 H new ATOM 0 HA GLN A 102 -8.371 10.380 -18.295 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -8.814 9.915 -20.613 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -10.369 9.197 -20.244 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -11.053 11.476 -19.253 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -9.579 12.127 -19.943 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -12.560 10.361 -20.679 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -12.753 10.922 -22.343 1.00 0.00 H new ATOM 1630 N GLY A 103 -10.346 11.251 -17.041 1.00 0.00 N ATOM 1631 CA GLY A 103 -11.354 11.678 -16.086 1.00 0.00 C ATOM 1632 C GLY A 103 -12.735 11.750 -16.741 1.00 0.00 C ATOM 1633 O GLY A 103 -13.206 12.832 -17.088 1.00 0.00 O ATOM 0 H GLY A 103 -9.680 11.975 -17.310 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -11.382 10.984 -15.246 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.087 12.655 -15.683 1.00 0.00 H new ATOM 1637 N ASP A 104 -13.345 10.583 -16.891 1.00 0.00 N ATOM 1638 CA ASP A 104 -14.662 10.500 -17.498 1.00 0.00 C ATOM 1639 C ASP A 104 -15.062 9.030 -17.639 1.00 0.00 C ATOM 1640 O ASP A 104 -16.205 8.665 -17.367 1.00 0.00 O ATOM 1641 CB ASP A 104 -14.666 11.127 -18.894 1.00 0.00 C ATOM 1642 CG ASP A 104 -15.490 12.409 -19.025 1.00 0.00 C ATOM 1643 OD1 ASP A 104 -16.039 12.839 -17.987 1.00 0.00 O ATOM 1644 OD2 ASP A 104 -15.552 12.930 -20.159 1.00 0.00 O ATOM 0 H ASP A 104 -12.951 9.687 -16.602 1.00 0.00 H new ATOM 0 HA ASP A 104 -15.362 11.038 -16.859 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -13.637 11.343 -19.181 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -15.048 10.393 -19.604 1.00 0.00 H new ATOM 1649 N THR A 105 -14.099 8.226 -18.064 1.00 0.00 N ATOM 1650 CA THR A 105 -14.336 6.804 -18.244 1.00 0.00 C ATOM 1651 C THR A 105 -14.678 6.146 -16.905 1.00 0.00 C ATOM 1652 O THR A 105 -13.889 6.201 -15.963 1.00 0.00 O ATOM 1653 CB THR A 105 -13.103 6.200 -18.920 1.00 0.00 C ATOM 1654 OG1 THR A 105 -12.005 6.830 -18.264 1.00 0.00 O ATOM 1655 CG2 THR A 105 -12.964 6.635 -20.380 1.00 0.00 C ATOM 0 H THR A 105 -13.152 8.532 -18.289 1.00 0.00 H new ATOM 0 HA THR A 105 -15.197 6.626 -18.888 1.00 0.00 H new ATOM 0 HB THR A 105 -13.157 5.113 -18.869 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.201 6.915 -17.307 1.00 0.00 H new ATOM 0 HG21 THR A 105 -12.074 6.179 -20.812 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.843 6.317 -20.940 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.876 7.720 -20.429 1.00 0.00 H new ATOM 1663 N LYS A 106 -15.855 5.540 -16.864 1.00 0.00 N ATOM 1664 CA LYS A 106 -16.312 4.872 -15.657 1.00 0.00 C ATOM 1665 C LYS A 106 -15.633 3.506 -15.547 1.00 0.00 C ATOM 1666 O LYS A 106 -15.251 2.915 -16.557 1.00 0.00 O ATOM 1667 CB LYS A 106 -17.840 4.804 -15.627 1.00 0.00 C ATOM 1668 CG LYS A 106 -18.332 4.076 -14.375 1.00 0.00 C ATOM 1669 CD LYS A 106 -19.860 4.015 -14.341 1.00 0.00 C ATOM 1670 CE LYS A 106 -20.394 4.408 -12.962 1.00 0.00 C ATOM 1671 NZ LYS A 106 -21.266 5.599 -13.064 1.00 0.00 N ATOM 0 H LYS A 106 -16.507 5.497 -17.648 1.00 0.00 H new ATOM 0 HA LYS A 106 -16.025 5.443 -14.774 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -18.253 5.812 -15.651 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -18.202 4.290 -16.517 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -17.924 3.066 -14.353 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -17.965 4.587 -13.485 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -20.271 4.683 -15.098 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -20.193 3.007 -14.590 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -20.953 3.577 -12.531 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -19.562 4.616 -12.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -21.620 5.852 -12.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -20.722 6.395 -13.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -22.070 5.388 -13.690 1.00 0.00 H new ATOM 1685 N VAL A 107 -15.503 3.042 -14.313 1.00 0.00 N ATOM 1686 CA VAL A 107 -14.877 1.756 -14.058 1.00 0.00 C ATOM 1687 C VAL A 107 -15.937 0.655 -14.131 1.00 0.00 C ATOM 1688 O VAL A 107 -16.912 0.677 -13.383 1.00 0.00 O ATOM 1689 CB VAL A 107 -14.140 1.789 -12.718 1.00 0.00 C ATOM 1690 CG1 VAL A 107 -13.005 0.763 -12.691 1.00 0.00 C ATOM 1691 CG2 VAL A 107 -13.617 3.194 -12.414 1.00 0.00 C ATOM 0 H VAL A 107 -15.821 3.534 -13.478 1.00 0.00 H new ATOM 0 HA VAL A 107 -14.128 1.538 -14.819 1.00 0.00 H new ATOM 0 HB VAL A 107 -14.852 1.521 -11.937 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -12.497 0.807 -11.727 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -13.414 -0.236 -12.840 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -12.294 0.986 -13.486 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -13.097 3.189 -11.456 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.927 3.503 -13.199 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -14.453 3.892 -12.370 1.00 0.00 H new ATOM 1701 N GLU A 108 -15.709 -0.282 -15.040 1.00 0.00 N ATOM 1702 CA GLU A 108 -16.631 -1.390 -15.220 1.00 0.00 C ATOM 1703 C GLU A 108 -16.414 -2.445 -14.133 1.00 0.00 C ATOM 1704 O GLU A 108 -17.327 -3.200 -13.804 1.00 0.00 O ATOM 1705 CB GLU A 108 -16.488 -2.002 -16.615 1.00 0.00 C ATOM 1706 CG GLU A 108 -15.348 -3.022 -16.651 1.00 0.00 C ATOM 1707 CD GLU A 108 -14.754 -3.130 -18.057 1.00 0.00 C ATOM 1708 OE1 GLU A 108 -14.956 -2.172 -18.834 1.00 0.00 O ATOM 1709 OE2 GLU A 108 -14.111 -4.169 -18.323 1.00 0.00 O ATOM 0 H GLU A 108 -14.899 -0.296 -15.660 1.00 0.00 H new ATOM 0 HA GLU A 108 -17.648 -1.008 -15.129 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -17.422 -2.485 -16.902 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -16.299 -1.214 -17.344 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -14.571 -2.729 -15.945 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -15.717 -3.997 -16.332 1.00 0.00 H new ATOM 1716 N LYS A 109 -15.198 -2.463 -13.607 1.00 0.00 N ATOM 1717 CA LYS A 109 -14.848 -3.413 -12.564 1.00 0.00 C ATOM 1718 C LYS A 109 -15.516 -2.993 -11.253 1.00 0.00 C ATOM 1719 O LYS A 109 -16.504 -3.595 -10.835 1.00 0.00 O ATOM 1720 CB LYS A 109 -13.329 -3.561 -12.461 1.00 0.00 C ATOM 1721 CG LYS A 109 -12.951 -4.884 -11.792 1.00 0.00 C ATOM 1722 CD LYS A 109 -11.579 -4.786 -11.121 1.00 0.00 C ATOM 1723 CE LYS A 109 -11.672 -5.121 -9.631 1.00 0.00 C ATOM 1724 NZ LYS A 109 -12.297 -4.004 -8.888 1.00 0.00 N ATOM 0 H LYS A 109 -14.443 -1.835 -13.883 1.00 0.00 H new ATOM 0 HA LYS A 109 -15.225 -4.406 -12.811 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.887 -3.513 -13.456 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.917 -2.729 -11.889 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.705 -5.149 -11.050 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.940 -5.682 -12.535 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.882 -5.468 -11.608 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.180 -3.780 -11.247 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.257 -6.030 -9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -10.676 -5.318 -9.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.246 -4.195 -7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.792 -3.120 -9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.293 -3.911 -9.173 1.00 0.00 H new ATOM 1738 N ALA A 110 -14.950 -1.963 -10.641 1.00 0.00 N ATOM 1739 CA ALA A 110 -15.478 -1.456 -9.386 1.00 0.00 C ATOM 1740 C ALA A 110 -16.965 -1.138 -9.555 1.00 0.00 C ATOM 1741 O ALA A 110 -17.817 -1.815 -8.980 1.00 0.00 O ATOM 1742 CB ALA A 110 -14.667 -0.235 -8.948 1.00 0.00 C ATOM 0 H ALA A 110 -14.131 -1.466 -10.991 1.00 0.00 H new ATOM 0 HA ALA A 110 -15.389 -2.206 -8.600 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -15.063 0.146 -8.006 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -13.624 -0.520 -8.814 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.736 0.540 -9.711 1.00 0.00 H new ATOM 1748 N GLY A 111 -17.232 -0.110 -10.346 1.00 0.00 N ATOM 1749 CA GLY A 111 -18.602 0.305 -10.598 1.00 0.00 C ATOM 1750 C GLY A 111 -18.697 1.826 -10.735 1.00 0.00 C ATOM 1751 O GLY A 111 -19.051 2.336 -11.797 1.00 0.00 O ATOM 0 H GLY A 111 -16.523 0.448 -10.821 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -18.968 -0.169 -11.509 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -19.243 -0.031 -9.783 1.00 0.00 H new ATOM 1755 N ALA A 112 -18.376 2.508 -9.645 1.00 0.00 N ATOM 1756 CA ALA A 112 -18.421 3.960 -9.631 1.00 0.00 C ATOM 1757 C ALA A 112 -17.331 4.509 -10.554 1.00 0.00 C ATOM 1758 O ALA A 112 -16.438 3.774 -10.972 1.00 0.00 O ATOM 1759 CB ALA A 112 -18.274 4.461 -8.192 1.00 0.00 C ATOM 0 H ALA A 112 -18.084 2.082 -8.766 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.380 4.318 -10.005 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -18.308 5.550 -8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -19.088 4.067 -7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -17.321 4.123 -7.785 1.00 0.00 H new ATOM 1765 N GLU A 113 -17.440 5.797 -10.844 1.00 0.00 N ATOM 1766 CA GLU A 113 -16.475 6.453 -11.710 1.00 0.00 C ATOM 1767 C GLU A 113 -15.056 6.239 -11.181 1.00 0.00 C ATOM 1768 O GLU A 113 -14.868 5.924 -10.007 1.00 0.00 O ATOM 1769 CB GLU A 113 -16.789 7.944 -11.850 1.00 0.00 C ATOM 1770 CG GLU A 113 -17.348 8.259 -13.239 1.00 0.00 C ATOM 1771 CD GLU A 113 -17.276 9.759 -13.532 1.00 0.00 C ATOM 1772 OE1 GLU A 113 -17.924 10.516 -12.778 1.00 0.00 O ATOM 1773 OE2 GLU A 113 -16.574 10.115 -14.503 1.00 0.00 O ATOM 0 H GLU A 113 -18.182 6.404 -10.495 1.00 0.00 H new ATOM 0 HA GLU A 113 -16.543 6.006 -12.702 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -17.510 8.240 -11.088 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -15.885 8.527 -11.677 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -16.786 7.710 -13.994 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -18.382 7.921 -13.304 1.00 0.00 H new ATOM 1780 N SER A 114 -14.093 6.419 -12.073 1.00 0.00 N ATOM 1781 CA SER A 114 -12.696 6.249 -11.711 1.00 0.00 C ATOM 1782 C SER A 114 -12.280 7.328 -10.710 1.00 0.00 C ATOM 1783 O SER A 114 -11.626 7.034 -9.710 1.00 0.00 O ATOM 1784 CB SER A 114 -11.796 6.298 -12.948 1.00 0.00 C ATOM 1785 OG SER A 114 -11.044 5.098 -13.108 1.00 0.00 O ATOM 0 H SER A 114 -14.253 6.681 -13.046 1.00 0.00 H new ATOM 0 HA SER A 114 -12.580 5.269 -11.249 1.00 0.00 H new ATOM 0 HB2 SER A 114 -12.407 6.464 -13.835 1.00 0.00 H new ATOM 0 HB3 SER A 114 -11.115 7.145 -12.868 1.00 0.00 H new ATOM 0 HG SER A 114 -10.483 5.168 -13.909 1.00 0.00 H new ATOM 1791 N ALA A 115 -12.676 8.556 -11.012 1.00 0.00 N ATOM 1792 CA ALA A 115 -12.353 9.681 -10.151 1.00 0.00 C ATOM 1793 C ALA A 115 -12.943 9.439 -8.760 1.00 0.00 C ATOM 1794 O ALA A 115 -12.244 9.562 -7.756 1.00 0.00 O ATOM 1795 CB ALA A 115 -12.868 10.974 -10.786 1.00 0.00 C ATOM 0 H ALA A 115 -13.218 8.797 -11.842 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.273 9.781 -10.038 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -12.626 11.818 -10.140 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -12.397 11.114 -11.759 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -13.949 10.912 -10.912 1.00 0.00 H new ATOM 1801 N VAL A 116 -14.223 9.098 -8.747 1.00 0.00 N ATOM 1802 CA VAL A 116 -14.915 8.838 -7.496 1.00 0.00 C ATOM 1803 C VAL A 116 -14.148 7.777 -6.705 1.00 0.00 C ATOM 1804 O VAL A 116 -13.819 7.984 -5.538 1.00 0.00 O ATOM 1805 CB VAL A 116 -16.367 8.443 -7.773 1.00 0.00 C ATOM 1806 CG1 VAL A 116 -17.027 7.864 -6.520 1.00 0.00 C ATOM 1807 CG2 VAL A 116 -17.165 9.632 -8.314 1.00 0.00 C ATOM 0 H VAL A 116 -14.799 8.996 -9.583 1.00 0.00 H new ATOM 0 HA VAL A 116 -14.948 9.739 -6.884 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.363 7.666 -8.538 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.058 7.592 -6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -16.480 6.978 -6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -17.014 8.609 -5.724 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.194 9.324 -8.503 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -17.156 10.439 -7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -16.714 9.980 -9.243 1.00 0.00 H new ATOM 1817 N VAL A 117 -13.885 6.663 -7.372 1.00 0.00 N ATOM 1818 CA VAL A 117 -13.162 5.568 -6.746 1.00 0.00 C ATOM 1819 C VAL A 117 -11.774 6.055 -6.323 1.00 0.00 C ATOM 1820 O VAL A 117 -11.282 5.687 -5.258 1.00 0.00 O ATOM 1821 CB VAL A 117 -13.112 4.366 -7.691 1.00 0.00 C ATOM 1822 CG1 VAL A 117 -12.188 3.277 -7.143 1.00 0.00 C ATOM 1823 CG2 VAL A 117 -14.515 3.815 -7.952 1.00 0.00 C ATOM 0 H VAL A 117 -14.159 6.495 -8.340 1.00 0.00 H new ATOM 0 HA VAL A 117 -13.678 5.235 -5.845 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.703 4.705 -8.643 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -12.170 2.434 -7.833 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.180 3.677 -7.032 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.555 2.943 -6.172 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -14.451 2.961 -8.627 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -14.963 3.500 -7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -15.132 4.591 -8.406 1.00 0.00 H new ATOM 1833 N HIS A 118 -11.183 6.874 -7.180 1.00 0.00 N ATOM 1834 CA HIS A 118 -9.862 7.415 -6.909 1.00 0.00 C ATOM 1835 C HIS A 118 -9.860 8.103 -5.543 1.00 0.00 C ATOM 1836 O HIS A 118 -9.022 7.802 -4.693 1.00 0.00 O ATOM 1837 CB HIS A 118 -9.412 8.342 -8.040 1.00 0.00 C ATOM 1838 CG HIS A 118 -8.556 9.499 -7.582 1.00 0.00 C ATOM 1839 ND1 HIS A 118 -7.698 9.414 -6.500 1.00 0.00 N ATOM 1840 CD2 HIS A 118 -8.435 10.766 -8.072 1.00 0.00 C ATOM 1841 CE1 HIS A 118 -7.093 10.583 -6.353 1.00 0.00 C ATOM 1842 NE2 HIS A 118 -7.551 11.420 -7.328 1.00 0.00 N ATOM 0 H HIS A 118 -11.595 7.176 -8.063 1.00 0.00 H new ATOM 0 HA HIS A 118 -9.134 6.605 -6.870 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -8.855 7.759 -8.774 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -10.294 8.734 -8.547 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -8.968 11.169 -8.921 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -6.365 10.830 -5.595 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -7.262 12.389 -7.463 1.00 0.00 H new ATOM 1850 N GLU A 119 -10.807 9.014 -5.373 1.00 0.00 N ATOM 1851 CA GLU A 119 -10.925 9.747 -4.124 1.00 0.00 C ATOM 1852 C GLU A 119 -11.210 8.786 -2.969 1.00 0.00 C ATOM 1853 O GLU A 119 -10.595 8.884 -1.908 1.00 0.00 O ATOM 1854 CB GLU A 119 -12.007 10.824 -4.220 1.00 0.00 C ATOM 1855 CG GLU A 119 -11.565 11.965 -5.140 1.00 0.00 C ATOM 1856 CD GLU A 119 -12.592 13.099 -5.139 1.00 0.00 C ATOM 1857 OE1 GLU A 119 -13.694 12.868 -5.682 1.00 0.00 O ATOM 1858 OE2 GLU A 119 -12.252 14.172 -4.595 1.00 0.00 O ATOM 0 H GLU A 119 -11.500 9.261 -6.080 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.977 10.248 -3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -12.930 10.384 -4.598 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -12.224 11.216 -3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -10.597 12.346 -4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.434 11.589 -6.155 1.00 0.00 H new ATOM 1865 N ARG A 120 -12.143 7.877 -3.214 1.00 0.00 N ATOM 1866 CA ARG A 120 -12.517 6.898 -2.207 1.00 0.00 C ATOM 1867 C ARG A 120 -11.307 6.046 -1.819 1.00 0.00 C ATOM 1868 O ARG A 120 -10.946 5.971 -0.646 1.00 0.00 O ATOM 1869 CB ARG A 120 -13.634 5.985 -2.715 1.00 0.00 C ATOM 1870 CG ARG A 120 -15.007 6.508 -2.289 1.00 0.00 C ATOM 1871 CD ARG A 120 -15.942 5.354 -1.919 1.00 0.00 C ATOM 1872 NE ARG A 120 -15.358 4.564 -0.813 1.00 0.00 N ATOM 1873 CZ ARG A 120 -16.015 3.605 -0.147 1.00 0.00 C ATOM 1874 NH1 ARG A 120 -17.282 3.313 -0.469 1.00 0.00 N ATOM 1875 NH2 ARG A 120 -15.405 2.939 0.843 1.00 0.00 N ATOM 0 H ARG A 120 -12.651 7.798 -4.095 1.00 0.00 H new ATOM 0 HA ARG A 120 -12.877 7.442 -1.334 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -13.588 5.918 -3.802 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -13.489 4.977 -2.327 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -14.896 7.179 -1.437 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.446 7.091 -3.099 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -16.916 5.745 -1.623 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -16.105 4.715 -2.787 1.00 0.00 H new ATOM 0 HE ARG A 120 -14.395 4.762 -0.540 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -17.747 3.821 -1.222 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -17.782 2.583 0.038 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -14.441 3.162 1.089 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -15.905 2.209 1.350 1.00 0.00 H new ATOM 1889 N MET A 121 -10.713 5.425 -2.828 1.00 0.00 N ATOM 1890 CA MET A 121 -9.551 4.582 -2.608 1.00 0.00 C ATOM 1891 C MET A 121 -8.418 5.370 -1.946 1.00 0.00 C ATOM 1892 O MET A 121 -7.852 4.930 -0.947 1.00 0.00 O ATOM 1893 CB MET A 121 -9.067 4.018 -3.946 1.00 0.00 C ATOM 1894 CG MET A 121 -9.693 2.650 -4.223 1.00 0.00 C ATOM 1895 SD MET A 121 -8.707 1.364 -3.475 1.00 0.00 S ATOM 1896 CE MET A 121 -8.752 0.142 -4.775 1.00 0.00 C ATOM 0 H MET A 121 -11.015 5.489 -3.800 1.00 0.00 H new ATOM 0 HA MET A 121 -9.838 3.767 -1.943 1.00 0.00 H new ATOM 0 HB2 MET A 121 -9.323 4.708 -4.750 1.00 0.00 H new ATOM 0 HB3 MET A 121 -7.981 3.929 -3.936 1.00 0.00 H new ATOM 0 HG2 MET A 121 -10.708 2.618 -3.827 1.00 0.00 H new ATOM 0 HG3 MET A 121 -9.765 2.485 -5.298 1.00 0.00 H new ATOM 0 HE1 MET A 121 -8.180 -0.735 -4.470 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.785 -0.147 -4.967 1.00 0.00 H new ATOM 0 HE3 MET A 121 -8.318 0.561 -5.683 1.00 0.00 H new ATOM 1906 N ASP A 122 -8.121 6.521 -2.531 1.00 0.00 N ATOM 1907 CA ASP A 122 -7.067 7.374 -2.011 1.00 0.00 C ATOM 1908 C ASP A 122 -7.305 7.621 -0.520 1.00 0.00 C ATOM 1909 O ASP A 122 -6.397 7.452 0.294 1.00 0.00 O ATOM 1910 CB ASP A 122 -7.057 8.731 -2.718 1.00 0.00 C ATOM 1911 CG ASP A 122 -5.810 9.582 -2.468 1.00 0.00 C ATOM 1912 OD1 ASP A 122 -4.885 9.054 -1.815 1.00 0.00 O ATOM 1913 OD2 ASP A 122 -5.812 10.742 -2.934 1.00 0.00 O ATOM 0 H ASP A 122 -8.592 6.883 -3.360 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.114 6.872 -2.179 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.156 8.565 -3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -7.933 9.296 -2.400 1.00 0.00 H new ATOM 1918 N ARG A 123 -8.530 8.016 -0.206 1.00 0.00 N ATOM 1919 CA ARG A 123 -8.898 8.287 1.173 1.00 0.00 C ATOM 1920 C ARG A 123 -8.453 7.136 2.078 1.00 0.00 C ATOM 1921 O ARG A 123 -7.676 7.339 3.010 1.00 0.00 O ATOM 1922 CB ARG A 123 -10.410 8.479 1.312 1.00 0.00 C ATOM 1923 CG ARG A 123 -10.774 9.965 1.327 1.00 0.00 C ATOM 1924 CD ARG A 123 -11.416 10.359 2.659 1.00 0.00 C ATOM 1925 NE ARG A 123 -11.655 11.819 2.693 1.00 0.00 N ATOM 1926 CZ ARG A 123 -11.889 12.516 3.814 1.00 0.00 C ATOM 1927 NH1 ARG A 123 -11.917 11.890 4.998 1.00 0.00 N ATOM 1928 NH2 ARG A 123 -12.095 13.838 3.750 1.00 0.00 N ATOM 0 H ARG A 123 -9.280 8.155 -0.883 1.00 0.00 H new ATOM 0 HA ARG A 123 -8.396 9.206 1.475 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -10.921 7.984 0.486 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.757 8.006 2.231 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -9.879 10.564 1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -11.461 10.183 0.509 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -12.357 9.825 2.791 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -10.767 10.069 3.485 1.00 0.00 H new ATOM 0 HE ARG A 123 -11.641 12.327 1.808 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -11.760 10.883 5.046 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -12.095 12.420 5.851 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -12.074 14.314 2.848 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -12.273 14.368 4.603 1.00 0.00 H new ATOM 1942 N GLY A 124 -8.963 5.953 1.771 1.00 0.00 N ATOM 1943 CA GLY A 124 -8.628 4.769 2.545 1.00 0.00 C ATOM 1944 C GLY A 124 -7.142 4.430 2.410 1.00 0.00 C ATOM 1945 O GLY A 124 -6.521 3.958 3.362 1.00 0.00 O ATOM 0 H GLY A 124 -9.606 5.788 0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.873 4.934 3.594 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.230 3.926 2.206 1.00 0.00 H new ATOM 1949 N TRP A 125 -6.615 4.684 1.222 1.00 0.00 N ATOM 1950 CA TRP A 125 -5.214 4.411 0.951 1.00 0.00 C ATOM 1951 C TRP A 125 -4.374 5.228 1.934 1.00 0.00 C ATOM 1952 O TRP A 125 -3.429 4.711 2.529 1.00 0.00 O ATOM 1953 CB TRP A 125 -4.871 4.701 -0.512 1.00 0.00 C ATOM 1954 CG TRP A 125 -4.668 3.447 -1.364 1.00 0.00 C ATOM 1955 CD1 TRP A 125 -5.353 3.068 -2.452 1.00 0.00 C ATOM 1956 CD2 TRP A 125 -3.681 2.415 -1.154 1.00 0.00 C ATOM 1957 NE1 TRP A 125 -4.882 1.873 -2.956 1.00 0.00 N ATOM 1958 CE2 TRP A 125 -3.833 1.463 -2.141 1.00 0.00 C ATOM 1959 CE3 TRP A 125 -2.693 2.290 -0.161 1.00 0.00 C ATOM 1960 CZ2 TRP A 125 -3.031 0.319 -2.233 1.00 0.00 C ATOM 1961 CZ3 TRP A 125 -1.900 1.141 -0.267 1.00 0.00 C ATOM 1962 CH2 TRP A 125 -2.040 0.174 -1.255 1.00 0.00 C ATOM 0 H TRP A 125 -7.133 5.076 0.436 1.00 0.00 H new ATOM 0 HA TRP A 125 -4.993 3.354 1.098 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -5.670 5.300 -0.950 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -3.964 5.304 -0.549 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -6.171 3.628 -2.880 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.238 1.381 -3.776 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -2.557 3.022 0.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -3.169 -0.412 -3.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -1.125 0.996 0.471 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -1.387 -0.686 -1.268 1.00 0.00 H new ATOM 1973 N HIS A 126 -4.749 6.491 2.076 1.00 0.00 N ATOM 1974 CA HIS A 126 -4.042 7.385 2.978 1.00 0.00 C ATOM 1975 C HIS A 126 -4.258 6.932 4.423 1.00 0.00 C ATOM 1976 O HIS A 126 -3.297 6.700 5.155 1.00 0.00 O ATOM 1977 CB HIS A 126 -4.462 8.837 2.743 1.00 0.00 C ATOM 1978 CG HIS A 126 -3.451 9.853 3.218 1.00 0.00 C ATOM 1979 ND1 HIS A 126 -3.805 11.124 3.635 1.00 0.00 N ATOM 1980 CD2 HIS A 126 -2.095 9.772 3.339 1.00 0.00 C ATOM 1981 CE1 HIS A 126 -2.704 11.771 3.988 1.00 0.00 C ATOM 1982 NE2 HIS A 126 -1.645 10.931 3.804 1.00 0.00 N ATOM 0 H HIS A 126 -5.533 6.917 1.582 1.00 0.00 H new ATOM 0 HA HIS A 126 -2.972 7.340 2.776 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.638 8.986 1.678 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -5.409 9.017 3.251 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -1.490 8.911 3.097 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.654 12.785 4.357 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -0.668 11.156 3.993 1.00 0.00 H new ATOM 1990 N ASP A 127 -5.526 6.819 4.791 1.00 0.00 N ATOM 1991 CA ASP A 127 -5.880 6.398 6.136 1.00 0.00 C ATOM 1992 C ASP A 127 -5.160 5.088 6.462 1.00 0.00 C ATOM 1993 O ASP A 127 -4.771 4.858 7.606 1.00 0.00 O ATOM 1994 CB ASP A 127 -7.386 6.153 6.257 1.00 0.00 C ATOM 1995 CG ASP A 127 -8.267 7.355 5.909 1.00 0.00 C ATOM 1996 OD1 ASP A 127 -7.989 8.441 6.462 1.00 0.00 O ATOM 1997 OD2 ASP A 127 -9.198 7.160 5.099 1.00 0.00 O ATOM 0 H ASP A 127 -6.321 7.012 4.181 1.00 0.00 H new ATOM 0 HA ASP A 127 -5.586 7.189 6.826 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.657 5.322 5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -7.608 5.843 7.278 1.00 0.00 H new ATOM 2002 N LEU A 128 -5.004 4.265 5.436 1.00 0.00 N ATOM 2003 CA LEU A 128 -4.338 2.984 5.599 1.00 0.00 C ATOM 2004 C LEU A 128 -2.875 3.220 5.981 1.00 0.00 C ATOM 2005 O LEU A 128 -2.396 2.684 6.979 1.00 0.00 O ATOM 2006 CB LEU A 128 -4.516 2.124 4.346 1.00 0.00 C ATOM 2007 CG LEU A 128 -3.757 0.795 4.332 1.00 0.00 C ATOM 2008 CD1 LEU A 128 -4.023 -0.001 5.611 1.00 0.00 C ATOM 2009 CD2 LEU A 128 -4.089 -0.012 3.075 1.00 0.00 C ATOM 0 H LEU A 128 -5.327 4.460 4.488 1.00 0.00 H new ATOM 0 HA LEU A 128 -4.793 2.419 6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.578 1.914 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -4.202 2.708 3.481 1.00 0.00 H new ATOM 0 HG LEU A 128 -2.689 1.011 4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.472 -0.941 5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -3.697 0.579 6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.090 -0.209 5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -3.537 -0.952 3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -5.159 -0.220 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -3.808 0.560 2.191 1.00 0.00 H new ATOM 2021 N VAL A 129 -2.207 4.023 5.166 1.00 0.00 N ATOM 2022 CA VAL A 129 -0.808 4.337 5.406 1.00 0.00 C ATOM 2023 C VAL A 129 -0.713 5.614 6.243 1.00 0.00 C ATOM 2024 O VAL A 129 0.159 6.450 6.009 1.00 0.00 O ATOM 2025 CB VAL A 129 -0.059 4.436 4.076 1.00 0.00 C ATOM 2026 CG1 VAL A 129 -0.569 5.616 3.246 1.00 0.00 C ATOM 2027 CG2 VAL A 129 1.451 4.537 4.303 1.00 0.00 C ATOM 0 H VAL A 129 -2.608 4.466 4.339 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.329 3.540 5.975 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.253 3.522 3.514 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -0.020 5.664 2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.631 5.484 3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -0.420 6.542 3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.960 4.606 3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 129 1.671 5.425 4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.799 3.651 4.835 1.00 0.00 H new ATOM 2037 N ASN A 130 -1.622 5.726 7.201 1.00 0.00 N ATOM 2038 CA ASN A 130 -1.651 6.887 8.073 1.00 0.00 C ATOM 2039 C ASN A 130 -1.492 6.433 9.526 1.00 0.00 C ATOM 2040 O ASN A 130 -0.568 6.859 10.216 1.00 0.00 O ATOM 2041 CB ASN A 130 -2.981 7.633 7.954 1.00 0.00 C ATOM 2042 CG ASN A 130 -2.769 9.053 7.425 1.00 0.00 C ATOM 2043 OD1 ASN A 130 -3.219 10.030 7.999 1.00 0.00 O ATOM 2044 ND2 ASN A 130 -2.059 9.111 6.301 1.00 0.00 N ATOM 0 H ASN A 130 -2.344 5.031 7.392 1.00 0.00 H new ATOM 0 HA ASN A 130 -0.838 7.550 7.777 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -3.649 7.089 7.286 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -3.468 7.673 8.928 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -1.862 10.013 5.868 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -1.712 8.253 5.872 1.00 0.00 H new ATOM 2051 N GLU A 131 -2.408 5.573 9.946 1.00 0.00 N ATOM 2052 CA GLU A 131 -2.382 5.056 11.304 1.00 0.00 C ATOM 2053 C GLU A 131 -2.429 3.527 11.291 1.00 0.00 C ATOM 2054 O GLU A 131 -1.696 2.873 12.032 1.00 0.00 O ATOM 2055 CB GLU A 131 -3.532 5.632 12.133 1.00 0.00 C ATOM 2056 CG GLU A 131 -4.885 5.283 11.510 1.00 0.00 C ATOM 2057 CD GLU A 131 -5.456 4.002 12.122 1.00 0.00 C ATOM 2058 OE1 GLU A 131 -4.639 3.193 12.610 1.00 0.00 O ATOM 2059 OE2 GLU A 131 -6.698 3.862 12.088 1.00 0.00 O ATOM 0 H GLU A 131 -3.173 5.221 9.370 1.00 0.00 H new ATOM 0 HA GLU A 131 -1.448 5.368 11.772 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -3.484 5.241 13.149 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.428 6.715 12.203 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -5.583 6.106 11.663 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -4.772 5.157 10.433 1.00 0.00 H new ATOM 2066 N ARG A 132 -3.297 3.000 10.439 1.00 0.00 N ATOM 2067 CA ARG A 132 -3.448 1.560 10.319 1.00 0.00 C ATOM 2068 C ARG A 132 -2.078 0.891 10.187 1.00 0.00 C ATOM 2069 O ARG A 132 -1.863 -0.200 10.712 1.00 0.00 O ATOM 2070 CB ARG A 132 -4.306 1.195 9.106 1.00 0.00 C ATOM 2071 CG ARG A 132 -5.685 1.853 9.192 1.00 0.00 C ATOM 2072 CD ARG A 132 -6.756 0.831 9.580 1.00 0.00 C ATOM 2073 NE ARG A 132 -7.883 0.891 8.622 1.00 0.00 N ATOM 2074 CZ ARG A 132 -8.904 0.025 8.609 1.00 0.00 C ATOM 2075 NH1 ARG A 132 -8.948 -0.973 9.502 1.00 0.00 N ATOM 2076 NH2 ARG A 132 -9.883 0.156 7.703 1.00 0.00 N ATOM 0 H ARG A 132 -3.903 3.545 9.825 1.00 0.00 H new ATOM 0 HA ARG A 132 -3.945 1.203 11.221 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -3.804 1.513 8.192 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -4.419 0.112 9.048 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -5.663 2.658 9.926 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -5.938 2.304 8.232 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -6.328 -0.171 9.588 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -7.115 1.033 10.589 1.00 0.00 H new ATOM 0 HE ARG A 132 -7.882 1.639 7.928 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -8.204 -1.073 10.192 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -9.726 -1.633 9.492 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -9.850 0.916 7.023 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -10.661 -0.504 7.693 1.00 0.00 H new ATOM 2090 N LEU A 133 -1.188 1.574 9.481 1.00 0.00 N ATOM 2091 CA LEU A 133 0.155 1.059 9.272 1.00 0.00 C ATOM 2092 C LEU A 133 1.027 1.419 10.477 1.00 0.00 C ATOM 2093 O LEU A 133 1.767 0.578 10.985 1.00 0.00 O ATOM 2094 CB LEU A 133 0.716 1.553 7.938 1.00 0.00 C ATOM 2095 CG LEU A 133 2.206 1.299 7.702 1.00 0.00 C ATOM 2096 CD1 LEU A 133 2.530 -0.193 7.798 1.00 0.00 C ATOM 2097 CD2 LEU A 133 2.661 1.899 6.370 1.00 0.00 C ATOM 0 H LEU A 133 -1.371 2.479 9.047 1.00 0.00 H new ATOM 0 HA LEU A 133 0.140 -0.029 9.202 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.155 1.079 7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.534 2.625 7.865 1.00 0.00 H new ATOM 0 HG LEU A 133 2.766 1.802 8.490 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.595 -0.346 7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.266 -0.560 8.790 1.00 0.00 H new ATOM 0 HD13 LEU A 133 1.960 -0.738 7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.724 1.704 6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 133 2.096 1.446 5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 133 2.487 2.975 6.377 1.00 0.00 H new ATOM 2109 N ARG A 134 0.909 2.669 10.900 1.00 0.00 N ATOM 2110 CA ARG A 134 1.678 3.150 12.036 1.00 0.00 C ATOM 2111 C ARG A 134 1.481 2.226 13.239 1.00 0.00 C ATOM 2112 O ARG A 134 2.404 2.020 14.026 1.00 0.00 O ATOM 2113 CB ARG A 134 1.262 4.571 12.419 1.00 0.00 C ATOM 2114 CG ARG A 134 2.258 5.186 13.406 1.00 0.00 C ATOM 2115 CD ARG A 134 1.532 5.804 14.603 1.00 0.00 C ATOM 2116 NE ARG A 134 1.729 7.271 14.611 1.00 0.00 N ATOM 2117 CZ ARG A 134 1.085 8.120 13.799 1.00 0.00 C ATOM 2118 NH1 ARG A 134 0.200 7.654 12.908 1.00 0.00 N ATOM 2119 NH2 ARG A 134 1.327 9.436 13.877 1.00 0.00 N ATOM 0 H ARG A 134 0.293 3.363 10.477 1.00 0.00 H new ATOM 0 HA ARG A 134 2.729 3.157 11.747 1.00 0.00 H new ATOM 0 HB2 ARG A 134 1.202 5.190 11.524 1.00 0.00 H new ATOM 0 HB3 ARG A 134 0.267 4.555 12.863 1.00 0.00 H new ATOM 0 HG2 ARG A 134 2.952 4.420 13.753 1.00 0.00 H new ATOM 0 HG3 ARG A 134 2.851 5.949 12.902 1.00 0.00 H new ATOM 0 HD2 ARG A 134 0.468 5.572 14.553 1.00 0.00 H new ATOM 0 HD3 ARG A 134 1.909 5.373 15.530 1.00 0.00 H new ATOM 0 HE ARG A 134 2.397 7.660 15.277 1.00 0.00 H new ATOM 0 HH11 ARG A 134 0.016 6.653 12.848 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -0.290 8.301 12.290 1.00 0.00 H new ATOM 0 HH21 ARG A 134 2.002 9.791 14.555 1.00 0.00 H new ATOM 0 HH22 ARG A 134 0.837 10.082 13.259 1.00 0.00 H new ATOM 2133 N GLN A 135 0.272 1.693 13.345 1.00 0.00 N ATOM 2134 CA GLN A 135 -0.058 0.796 14.439 1.00 0.00 C ATOM 2135 C GLN A 135 0.776 -0.483 14.346 1.00 0.00 C ATOM 2136 O GLN A 135 1.061 -1.118 15.361 1.00 0.00 O ATOM 2137 CB GLN A 135 -1.554 0.476 14.454 1.00 0.00 C ATOM 2138 CG GLN A 135 -2.157 0.741 15.835 1.00 0.00 C ATOM 2139 CD GLN A 135 -3.594 0.222 15.913 1.00 0.00 C ATOM 2140 OE1 GLN A 135 -3.959 -0.766 15.297 1.00 0.00 O ATOM 2141 NE2 GLN A 135 -4.387 0.940 16.704 1.00 0.00 N ATOM 0 H GLN A 135 -0.491 1.866 12.690 1.00 0.00 H new ATOM 0 HA GLN A 135 0.182 1.295 15.378 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -2.067 1.082 13.707 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -1.709 -0.567 14.179 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -1.550 0.257 16.600 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -2.141 1.811 16.044 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -4.018 1.756 17.191 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -5.364 0.674 16.823 1.00 0.00 H new ATOM 2150 N ILE A 136 1.144 -0.824 13.120 1.00 0.00 N ATOM 2151 CA ILE A 136 1.940 -2.016 12.881 1.00 0.00 C ATOM 2152 C ILE A 136 3.323 -1.835 13.509 1.00 0.00 C ATOM 2153 O ILE A 136 4.002 -2.814 13.816 1.00 0.00 O ATOM 2154 CB ILE A 136 1.981 -2.343 11.387 1.00 0.00 C ATOM 2155 CG1 ILE A 136 0.568 -2.491 10.819 1.00 0.00 C ATOM 2156 CG2 ILE A 136 2.839 -3.581 11.120 1.00 0.00 C ATOM 2157 CD1 ILE A 136 -0.226 -3.546 11.592 1.00 0.00 C ATOM 0 H ILE A 136 0.906 -0.295 12.281 1.00 0.00 H new ATOM 0 HA ILE A 136 1.483 -2.881 13.360 1.00 0.00 H new ATOM 0 HB ILE A 136 2.451 -1.508 10.867 1.00 0.00 H new ATOM 0 HG12 ILE A 136 0.050 -1.533 10.868 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.623 -2.770 9.767 1.00 0.00 H new ATOM 0 HG21 ILE A 136 2.851 -3.791 10.051 1.00 0.00 H new ATOM 0 HG22 ILE A 136 3.857 -3.400 11.466 1.00 0.00 H new ATOM 0 HG23 ILE A 136 2.421 -4.435 11.653 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.227 -3.631 11.168 1.00 0.00 H new ATOM 0 HD12 ILE A 136 0.282 -4.508 11.521 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -0.300 -3.251 12.639 1.00 0.00 H new ATOM 2169 N VAL A 137 3.699 -0.577 13.682 1.00 0.00 N ATOM 2170 CA VAL A 137 4.990 -0.255 14.268 1.00 0.00 C ATOM 2171 C VAL A 137 4.777 0.349 15.658 1.00 0.00 C ATOM 2172 O VAL A 137 5.704 0.400 16.464 1.00 0.00 O ATOM 2173 CB VAL A 137 5.776 0.663 13.330 1.00 0.00 C ATOM 2174 CG1 VAL A 137 6.104 -0.047 12.016 1.00 0.00 C ATOM 2175 CG2 VAL A 137 5.016 1.966 13.075 1.00 0.00 C ATOM 0 H VAL A 137 3.133 0.232 13.427 1.00 0.00 H new ATOM 0 HA VAL A 137 5.589 -1.157 14.394 1.00 0.00 H new ATOM 0 HB VAL A 137 6.718 0.915 13.818 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.663 0.628 11.368 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.704 -0.933 12.221 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.179 -0.342 11.521 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.596 2.601 12.405 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.052 1.742 12.618 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.857 2.485 14.020 1.00 0.00 H new ATOM 2185 N GLU A 138 3.551 0.792 15.894 1.00 0.00 N ATOM 2186 CA GLU A 138 3.206 1.391 17.172 1.00 0.00 C ATOM 2187 C GLU A 138 2.305 0.448 17.974 1.00 0.00 C ATOM 2188 O GLU A 138 1.627 0.876 18.907 1.00 0.00 O ATOM 2189 CB GLU A 138 2.538 2.753 16.977 1.00 0.00 C ATOM 2190 CG GLU A 138 3.582 3.866 16.868 1.00 0.00 C ATOM 2191 CD GLU A 138 3.117 5.128 17.596 1.00 0.00 C ATOM 2192 OE1 GLU A 138 2.568 4.972 18.709 1.00 0.00 O ATOM 2193 OE2 GLU A 138 3.320 6.221 17.024 1.00 0.00 O ATOM 0 H GLU A 138 2.785 0.748 15.222 1.00 0.00 H new ATOM 0 HA GLU A 138 4.125 1.552 17.736 1.00 0.00 H new ATOM 0 HB2 GLU A 138 1.925 2.735 16.076 1.00 0.00 H new ATOM 0 HB3 GLU A 138 1.870 2.957 17.814 1.00 0.00 H new ATOM 0 HG2 GLU A 138 4.527 3.525 17.291 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.767 4.095 15.818 1.00 0.00 H new TER 2200 GLU A 138