USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 778 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 Single : A 1 MET CE :methyl -161:sc= -0.225 (180deg=-0.793) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0443 (180deg=0) USER MOD Single : A 3 SER OG : rot -94:sc= 0.49 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 74:sc= 1.21 USER MOD Single : A 16 HIS : no HE2:sc= -0.396 K(o=-0.4,f=-1.8) USER MOD Single : A 18 THR OG1 : rot -86:sc= 0.483 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 131:sc= -2.39! (180deg=-3.6) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -63:sc= 1.27 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 51 HIS : no HD1:sc= -0.0574 X(o=-0.057,f=-0.51) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -99:sc= 1.05 USER MOD Single : A 64 LYS NZ :NH3+ 170:sc=-0.00794 (180deg=-0.133) USER MOD Single : A 67 ASN : amide:sc= -0.689 K(o=-0.69,f=-2.4!) USER MOD Single : A 70 GLN : amide:sc= -2.78! C(o=-2.8!,f=-4.9!) USER MOD Single : A 71 LYS NZ :NH3+ -160:sc= -0.1 (180deg=-0.507) USER MOD Single : A 73 ASN : amide:sc= 0.0111 K(o=0.011,f=-0.67) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 132:sc= -0.145 (180deg=-0.697) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 79 ASN : amide:sc= -1.1 X(o=-1.1,f=-1.2) USER MOD Single : A 84 LYS NZ :NH3+ 164:sc= -0.0828 (180deg=-0.48) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 166:sc= -0.0646 (180deg=-0.316) USER MOD Single : A 91 LYS NZ :NH3+ 164:sc= -0.0395 (180deg=-0.248) USER MOD Single : A 93 MET CE :methyl -128:sc= -0.451 (180deg=-2.15!) USER MOD Single : A 94 THR OG1 : rot -69:sc= 0.0421 USER MOD Single : A 95 ASN : amide:sc= -0.801 K(o=-0.8,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.338 -2.719 12.740 1.00 0.00 N ATOM 2 CA MET A 1 -8.668 -1.449 13.122 1.00 0.00 C ATOM 3 C MET A 1 -8.002 -0.802 11.911 1.00 0.00 C ATOM 4 O MET A 1 -7.609 -1.488 10.967 1.00 0.00 O ATOM 5 CB MET A 1 -7.626 -1.712 14.213 1.00 0.00 C ATOM 6 CG MET A 1 -6.992 -0.445 14.767 1.00 0.00 C ATOM 7 SD MET A 1 -5.850 -0.775 16.123 1.00 0.00 S ATOM 8 CE MET A 1 -6.955 -1.495 17.334 1.00 0.00 C ATOM 0 H1 MET A 1 -9.200 -3.424 13.492 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.355 -2.549 12.607 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.928 -3.075 11.853 1.00 0.00 H new ATOM 0 HA MET A 1 -9.424 -0.765 13.506 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.097 -2.260 15.029 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.843 -2.354 13.809 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.461 0.070 13.967 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.777 0.228 15.113 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.497 -1.442 18.322 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.896 -0.945 17.341 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.146 -2.537 17.078 1.00 0.00 H new ATOM 20 N GLU A 2 -7.880 0.522 11.946 1.00 0.00 N ATOM 21 CA GLU A 2 -7.268 1.267 10.850 1.00 0.00 C ATOM 22 C GLU A 2 -5.801 0.884 10.673 1.00 0.00 C ATOM 23 O GLU A 2 -5.362 0.591 9.561 1.00 0.00 O ATOM 24 CB GLU A 2 -7.405 2.773 11.096 1.00 0.00 C ATOM 25 CG GLU A 2 -6.668 3.637 10.082 1.00 0.00 C ATOM 26 CD GLU A 2 -5.231 3.906 10.479 1.00 0.00 C ATOM 27 OE1 GLU A 2 -5.009 4.767 11.357 1.00 0.00 O ATOM 28 OE2 GLU A 2 -4.327 3.257 9.914 1.00 0.00 O ATOM 0 H GLU A 2 -8.197 1.102 12.723 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.792 1.010 9.929 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.462 3.038 11.083 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.031 3.003 12.094 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.686 3.145 9.110 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.193 4.585 9.969 1.00 0.00 H new ATOM 35 N SER A 3 -5.047 0.890 11.769 1.00 0.00 N ATOM 36 CA SER A 3 -3.629 0.542 11.724 1.00 0.00 C ATOM 37 C SER A 3 -3.430 -0.859 11.156 1.00 0.00 C ATOM 38 O SER A 3 -2.480 -1.113 10.415 1.00 0.00 O ATOM 39 CB SER A 3 -3.015 0.630 13.123 1.00 0.00 C ATOM 40 OG SER A 3 -3.658 -0.257 14.020 1.00 0.00 O ATOM 0 H SER A 3 -5.393 1.131 12.698 1.00 0.00 H new ATOM 0 HA SER A 3 -3.127 1.254 11.069 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.952 0.393 13.072 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.097 1.651 13.496 1.00 0.00 H new ATOM 0 HG SER A 3 -4.367 0.220 14.500 1.00 0.00 H new ATOM 46 N GLU A 4 -4.332 -1.767 11.513 1.00 0.00 N ATOM 47 CA GLU A 4 -4.263 -3.145 11.040 1.00 0.00 C ATOM 48 C GLU A 4 -4.714 -3.242 9.585 1.00 0.00 C ATOM 49 O GLU A 4 -4.265 -4.114 8.842 1.00 0.00 O ATOM 50 CB GLU A 4 -5.132 -4.049 11.919 1.00 0.00 C ATOM 51 CG GLU A 4 -5.027 -5.525 11.570 1.00 0.00 C ATOM 52 CD GLU A 4 -3.631 -6.077 11.784 1.00 0.00 C ATOM 53 OE1 GLU A 4 -3.303 -6.433 12.935 1.00 0.00 O ATOM 54 OE2 GLU A 4 -2.867 -6.156 10.799 1.00 0.00 O ATOM 0 H GLU A 4 -5.121 -1.573 12.130 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.226 -3.476 11.103 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.846 -3.910 12.962 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.172 -3.737 11.829 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.734 -6.089 12.178 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.315 -5.670 10.529 1.00 0.00 H new ATOM 61 N TYR A 5 -5.605 -2.339 9.188 1.00 0.00 N ATOM 62 CA TYR A 5 -6.137 -2.321 7.829 1.00 0.00 C ATOM 63 C TYR A 5 -5.114 -1.781 6.830 1.00 0.00 C ATOM 64 O TYR A 5 -5.056 -2.237 5.689 1.00 0.00 O ATOM 65 CB TYR A 5 -7.414 -1.478 7.782 1.00 0.00 C ATOM 66 CG TYR A 5 -7.899 -1.172 6.382 1.00 0.00 C ATOM 67 CD1 TYR A 5 -8.356 -2.182 5.544 1.00 0.00 C ATOM 68 CD2 TYR A 5 -7.898 0.130 5.901 1.00 0.00 C ATOM 69 CE1 TYR A 5 -8.796 -1.901 4.265 1.00 0.00 C ATOM 70 CE2 TYR A 5 -8.338 0.419 4.624 1.00 0.00 C ATOM 71 CZ TYR A 5 -8.786 -0.599 3.810 1.00 0.00 C ATOM 72 OH TYR A 5 -9.224 -0.316 2.536 1.00 0.00 O ATOM 0 H TYR A 5 -5.976 -1.606 9.792 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.367 -3.348 7.545 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.203 -2.002 8.322 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.237 -0.539 8.307 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.367 -3.202 5.898 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.547 0.930 6.536 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.146 -2.697 3.624 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.331 1.438 4.265 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.153 0.648 2.372 1.00 0.00 H new ATOM 82 N ARG A 6 -4.309 -0.816 7.259 1.00 0.00 N ATOM 83 CA ARG A 6 -3.306 -0.220 6.380 1.00 0.00 C ATOM 84 C ARG A 6 -2.088 -1.125 6.222 1.00 0.00 C ATOM 85 O ARG A 6 -1.611 -1.347 5.109 1.00 0.00 O ATOM 86 CB ARG A 6 -2.868 1.148 6.914 1.00 0.00 C ATOM 87 CG ARG A 6 -2.308 1.108 8.327 1.00 0.00 C ATOM 88 CD ARG A 6 -1.663 2.430 8.709 1.00 0.00 C ATOM 89 NE ARG A 6 -1.162 2.417 10.082 1.00 0.00 N ATOM 90 CZ ARG A 6 -0.425 3.390 10.609 1.00 0.00 C ATOM 91 NH1 ARG A 6 -0.103 4.453 9.884 1.00 0.00 N ATOM 92 NH2 ARG A 6 -0.009 3.298 11.865 1.00 0.00 N ATOM 0 H ARG A 6 -4.329 -0.431 8.203 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.766 -0.094 5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.113 1.563 6.246 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.721 1.826 6.891 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.108 0.876 9.030 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.573 0.307 8.405 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.842 2.644 8.025 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.390 3.234 8.596 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.391 1.615 10.670 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.421 4.527 8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.463 5.197 10.293 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.255 2.482 12.425 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.557 4.044 12.271 1.00 0.00 H new ATOM 106 N GLU A 7 -1.591 -1.648 7.334 1.00 0.00 N ATOM 107 CA GLU A 7 -0.416 -2.512 7.318 1.00 0.00 C ATOM 108 C GLU A 7 -0.679 -3.816 6.567 1.00 0.00 C ATOM 109 O GLU A 7 0.075 -4.183 5.668 1.00 0.00 O ATOM 110 CB GLU A 7 0.032 -2.816 8.750 1.00 0.00 C ATOM 111 CG GLU A 7 1.268 -3.698 8.830 1.00 0.00 C ATOM 112 CD GLU A 7 1.694 -3.973 10.260 1.00 0.00 C ATOM 113 OE1 GLU A 7 1.186 -4.945 10.855 1.00 0.00 O ATOM 114 OE2 GLU A 7 2.539 -3.214 10.783 1.00 0.00 O ATOM 0 H GLU A 7 -1.984 -1.489 8.262 1.00 0.00 H new ATOM 0 HA GLU A 7 0.377 -1.980 6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.233 -1.877 9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.786 -3.303 9.281 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.069 -4.643 8.325 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.088 -3.218 8.296 1.00 0.00 H new ATOM 121 N MET A 8 -1.753 -4.505 6.936 1.00 0.00 N ATOM 122 CA MET A 8 -2.103 -5.782 6.315 1.00 0.00 C ATOM 123 C MET A 8 -2.389 -5.644 4.818 1.00 0.00 C ATOM 124 O MET A 8 -1.923 -6.452 4.017 1.00 0.00 O ATOM 125 CB MET A 8 -3.314 -6.392 7.024 1.00 0.00 C ATOM 126 CG MET A 8 -3.741 -7.738 6.461 1.00 0.00 C ATOM 127 SD MET A 8 -5.063 -8.501 7.421 1.00 0.00 S ATOM 128 CE MET A 8 -5.244 -10.065 6.566 1.00 0.00 C ATOM 0 H MET A 8 -2.400 -4.201 7.664 1.00 0.00 H new ATOM 0 HA MET A 8 -1.241 -6.441 6.420 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.083 -6.508 8.083 1.00 0.00 H new ATOM 0 HB3 MET A 8 -4.151 -5.698 6.955 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.073 -7.608 5.431 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.881 -8.407 6.437 1.00 0.00 H new ATOM 0 HE1 MET A 8 -6.028 -10.652 7.044 1.00 0.00 H new ATOM 0 HE2 MET A 8 -5.511 -9.882 5.525 1.00 0.00 H new ATOM 0 HE3 MET A 8 -4.303 -10.614 6.608 1.00 0.00 H new ATOM 138 N LEU A 9 -3.154 -4.624 4.447 1.00 0.00 N ATOM 139 CA LEU A 9 -3.518 -4.408 3.045 1.00 0.00 C ATOM 140 C LEU A 9 -2.313 -4.031 2.183 1.00 0.00 C ATOM 141 O LEU A 9 -2.185 -4.497 1.050 1.00 0.00 O ATOM 142 CB LEU A 9 -4.592 -3.318 2.945 1.00 0.00 C ATOM 143 CG LEU A 9 -5.113 -3.031 1.532 1.00 0.00 C ATOM 144 CD1 LEU A 9 -6.552 -2.541 1.587 1.00 0.00 C ATOM 145 CD2 LEU A 9 -4.233 -2.005 0.830 1.00 0.00 C ATOM 0 H LEU A 9 -3.535 -3.933 5.093 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.910 -5.351 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.436 -3.605 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.187 -2.394 3.358 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.080 -3.959 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.907 -2.342 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.179 -3.304 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.602 -1.625 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.621 -1.817 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.232 -1.076 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.215 -2.387 0.758 1.00 0.00 H new ATOM 157 N LEU A 10 -1.434 -3.192 2.715 1.00 0.00 N ATOM 158 CA LEU A 10 -0.265 -2.733 1.967 1.00 0.00 C ATOM 159 C LEU A 10 0.827 -3.798 1.863 1.00 0.00 C ATOM 160 O LEU A 10 1.390 -4.007 0.789 1.00 0.00 O ATOM 161 CB LEU A 10 0.299 -1.464 2.604 1.00 0.00 C ATOM 162 CG LEU A 10 -0.597 -0.231 2.480 1.00 0.00 C ATOM 163 CD1 LEU A 10 -0.147 0.857 3.439 1.00 0.00 C ATOM 164 CD2 LEU A 10 -0.595 0.288 1.049 1.00 0.00 C ATOM 0 H LEU A 10 -1.506 -2.814 3.660 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.600 -2.521 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.484 -1.656 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.263 -1.242 2.147 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.615 -0.520 2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.797 1.725 3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.200 0.485 4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.879 1.143 3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.238 1.166 0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.421 0.559 0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.967 -0.488 0.380 1.00 0.00 H new ATOM 176 N LEU A 11 1.129 -4.466 2.973 1.00 0.00 N ATOM 177 CA LEU A 11 2.173 -5.488 2.978 1.00 0.00 C ATOM 178 C LEU A 11 1.850 -6.625 2.011 1.00 0.00 C ATOM 179 O LEU A 11 2.750 -7.331 1.555 1.00 0.00 O ATOM 180 CB LEU A 11 2.398 -6.032 4.396 1.00 0.00 C ATOM 181 CG LEU A 11 1.264 -6.883 4.981 1.00 0.00 C ATOM 182 CD1 LEU A 11 1.360 -8.328 4.513 1.00 0.00 C ATOM 183 CD2 LEU A 11 1.292 -6.821 6.500 1.00 0.00 C ATOM 0 H LEU A 11 0.671 -4.321 3.873 1.00 0.00 H new ATOM 0 HA LEU A 11 3.095 -5.016 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.309 -6.630 4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.573 -5.188 5.063 1.00 0.00 H new ATOM 0 HG LEU A 11 0.318 -6.475 4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.542 -8.905 4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.295 -8.363 3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.312 -8.752 4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.482 -7.429 6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.247 -7.202 6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.167 -5.788 6.824 1.00 0.00 H new ATOM 195 N THR A 12 0.568 -6.802 1.708 1.00 0.00 N ATOM 196 CA THR A 12 0.137 -7.858 0.795 1.00 0.00 C ATOM 197 C THR A 12 0.799 -7.708 -0.575 1.00 0.00 C ATOM 198 O THR A 12 0.818 -8.645 -1.373 1.00 0.00 O ATOM 199 CB THR A 12 -1.395 -7.859 0.619 1.00 0.00 C ATOM 200 OG1 THR A 12 -2.035 -7.910 1.899 1.00 0.00 O ATOM 201 CG2 THR A 12 -1.851 -9.044 -0.221 1.00 0.00 C ATOM 0 H THR A 12 -0.190 -6.230 2.080 1.00 0.00 H new ATOM 0 HA THR A 12 0.443 -8.805 1.240 1.00 0.00 H new ATOM 0 HB THR A 12 -1.674 -6.940 0.104 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.959 -7.037 2.338 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.935 -9.018 -0.328 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.388 -8.991 -1.206 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.557 -9.972 0.269 1.00 0.00 H new ATOM 209 N GLY A 13 1.347 -6.525 -0.839 1.00 0.00 N ATOM 210 CA GLY A 13 1.997 -6.279 -2.114 1.00 0.00 C ATOM 211 C GLY A 13 3.511 -6.276 -2.015 1.00 0.00 C ATOM 212 O GLY A 13 4.186 -6.950 -2.791 1.00 0.00 O ATOM 0 H GLY A 13 1.353 -5.734 -0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.686 -7.042 -2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.662 -5.319 -2.508 1.00 0.00 H new ATOM 216 N LEU A 14 4.047 -5.516 -1.062 1.00 0.00 N ATOM 217 CA LEU A 14 5.495 -5.432 -0.874 1.00 0.00 C ATOM 218 C LEU A 14 6.096 -6.811 -0.620 1.00 0.00 C ATOM 219 O LEU A 14 7.140 -7.157 -1.173 1.00 0.00 O ATOM 220 CB LEU A 14 5.840 -4.502 0.297 1.00 0.00 C ATOM 221 CG LEU A 14 5.675 -2.999 0.040 1.00 0.00 C ATOM 222 CD1 LEU A 14 6.446 -2.573 -1.201 1.00 0.00 C ATOM 223 CD2 LEU A 14 4.203 -2.635 -0.088 1.00 0.00 C ATOM 0 H LEU A 14 3.503 -4.951 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 14 5.920 -5.025 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.214 -4.775 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.873 -4.688 0.589 1.00 0.00 H new ATOM 0 HG LEU A 14 6.087 -2.461 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.313 -1.503 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.505 -2.791 -1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.072 -3.120 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.107 -1.565 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.763 -3.185 -0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.683 -2.894 0.834 1.00 0.00 H new ATOM 235 N ASP A 15 5.428 -7.594 0.221 1.00 0.00 N ATOM 236 CA ASP A 15 5.896 -8.932 0.563 1.00 0.00 C ATOM 237 C ASP A 15 5.546 -9.944 -0.527 1.00 0.00 C ATOM 238 O ASP A 15 5.703 -11.150 -0.336 1.00 0.00 O ATOM 239 CB ASP A 15 5.293 -9.371 1.898 1.00 0.00 C ATOM 240 CG ASP A 15 5.771 -8.515 3.056 1.00 0.00 C ATOM 241 OD1 ASP A 15 5.169 -7.445 3.291 1.00 0.00 O ATOM 242 OD2 ASP A 15 6.746 -8.913 3.726 1.00 0.00 O ATOM 0 H ASP A 15 4.558 -7.323 0.679 1.00 0.00 H new ATOM 0 HA ASP A 15 6.982 -8.895 0.649 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.206 -9.321 1.837 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.554 -10.412 2.087 1.00 0.00 H new ATOM 247 N HIS A 16 5.077 -9.448 -1.669 1.00 0.00 N ATOM 248 CA HIS A 16 4.707 -10.317 -2.782 1.00 0.00 C ATOM 249 C HIS A 16 5.262 -9.793 -4.105 1.00 0.00 C ATOM 250 O HIS A 16 4.746 -10.119 -5.176 1.00 0.00 O ATOM 251 CB HIS A 16 3.186 -10.451 -2.865 1.00 0.00 C ATOM 252 CG HIS A 16 2.611 -11.320 -1.790 1.00 0.00 C ATOM 253 ND1 HIS A 16 2.190 -10.853 -0.565 1.00 0.00 N ATOM 254 CD2 HIS A 16 2.395 -12.659 -1.774 1.00 0.00 C ATOM 255 CE1 HIS A 16 1.745 -11.901 0.143 1.00 0.00 C ATOM 256 NE2 HIS A 16 1.847 -13.020 -0.547 1.00 0.00 N ATOM 0 H HIS A 16 4.945 -8.453 -1.848 1.00 0.00 H new ATOM 0 HA HIS A 16 5.143 -11.299 -2.600 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.736 -9.460 -2.801 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.916 -10.862 -3.838 1.00 0.00 H new ATOM 0 HD1 HIS A 16 2.213 -9.883 -0.252 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.614 -13.338 -2.585 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.354 -11.837 1.148 1.00 0.00 H new ATOM 264 N ILE A 17 6.319 -8.990 -4.027 1.00 0.00 N ATOM 265 CA ILE A 17 6.941 -8.428 -5.222 1.00 0.00 C ATOM 266 C ILE A 17 8.464 -8.478 -5.129 1.00 0.00 C ATOM 267 O ILE A 17 9.026 -8.562 -4.036 1.00 0.00 O ATOM 268 CB ILE A 17 6.503 -6.970 -5.454 1.00 0.00 C ATOM 269 CG1 ILE A 17 6.854 -6.108 -4.235 1.00 0.00 C ATOM 270 CG2 ILE A 17 5.011 -6.909 -5.752 1.00 0.00 C ATOM 271 CD1 ILE A 17 6.513 -4.642 -4.405 1.00 0.00 C ATOM 0 H ILE A 17 6.762 -8.714 -3.151 1.00 0.00 H new ATOM 0 HA ILE A 17 6.610 -9.038 -6.062 1.00 0.00 H new ATOM 0 HB ILE A 17 7.039 -6.574 -6.316 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.326 -6.496 -3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.920 -6.202 -4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.714 -5.873 -5.914 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.795 -7.493 -6.647 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.455 -7.318 -4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.790 -4.097 -3.503 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.061 -4.237 -5.256 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.442 -4.535 -4.579 1.00 0.00 H new ATOM 283 N THR A 18 9.123 -8.427 -6.283 1.00 0.00 N ATOM 284 CA THR A 18 10.580 -8.463 -6.335 1.00 0.00 C ATOM 285 C THR A 18 11.176 -7.125 -5.917 1.00 0.00 C ATOM 286 O THR A 18 10.455 -6.144 -5.730 1.00 0.00 O ATOM 287 CB THR A 18 11.085 -8.818 -7.746 1.00 0.00 C ATOM 288 OG1 THR A 18 10.582 -7.874 -8.699 1.00 0.00 O ATOM 289 CG2 THR A 18 10.648 -10.222 -8.138 1.00 0.00 C ATOM 0 H THR A 18 8.670 -8.361 -7.195 1.00 0.00 H new ATOM 0 HA THR A 18 10.902 -9.237 -5.638 1.00 0.00 H new ATOM 0 HB THR A 18 12.174 -8.781 -7.739 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.693 -8.156 -9.001 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.016 -10.452 -9.138 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.055 -10.941 -7.428 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.560 -10.280 -8.129 1.00 0.00 H new ATOM 297 N GLU A 19 12.497 -7.090 -5.770 1.00 0.00 N ATOM 298 CA GLU A 19 13.192 -5.870 -5.371 1.00 0.00 C ATOM 299 C GLU A 19 13.129 -4.818 -6.476 1.00 0.00 C ATOM 300 O GLU A 19 12.898 -3.638 -6.208 1.00 0.00 O ATOM 301 CB GLU A 19 14.649 -6.179 -5.024 1.00 0.00 C ATOM 302 CG GLU A 19 15.426 -4.971 -4.528 1.00 0.00 C ATOM 303 CD GLU A 19 16.836 -5.322 -4.096 1.00 0.00 C ATOM 304 OE1 GLU A 19 17.027 -5.650 -2.905 1.00 0.00 O ATOM 305 OE2 GLU A 19 17.749 -5.271 -4.946 1.00 0.00 O ATOM 0 H GLU A 19 13.108 -7.893 -5.921 1.00 0.00 H new ATOM 0 HA GLU A 19 12.693 -5.470 -4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.675 -6.956 -4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.146 -6.583 -5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.468 -4.221 -5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.894 -4.521 -3.690 1.00 0.00 H new ATOM 312 N GLU A 20 13.334 -5.251 -7.716 1.00 0.00 N ATOM 313 CA GLU A 20 13.301 -4.345 -8.859 1.00 0.00 C ATOM 314 C GLU A 20 11.951 -3.642 -8.964 1.00 0.00 C ATOM 315 O GLU A 20 11.883 -2.441 -9.223 1.00 0.00 O ATOM 316 CB GLU A 20 13.596 -5.111 -10.151 1.00 0.00 C ATOM 317 CG GLU A 20 12.684 -6.307 -10.376 1.00 0.00 C ATOM 318 CD GLU A 20 12.995 -7.042 -11.665 1.00 0.00 C ATOM 319 OE1 GLU A 20 13.871 -7.933 -11.645 1.00 0.00 O ATOM 320 OE2 GLU A 20 12.365 -6.725 -12.696 1.00 0.00 O ATOM 0 H GLU A 20 13.525 -6.224 -7.955 1.00 0.00 H new ATOM 0 HA GLU A 20 14.070 -3.587 -8.710 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.501 -4.429 -10.996 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.631 -5.453 -10.132 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.780 -6.996 -9.537 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.647 -5.971 -10.395 1.00 0.00 H new ATOM 327 N GLU A 21 10.878 -4.400 -8.761 1.00 0.00 N ATOM 328 CA GLU A 21 9.528 -3.853 -8.830 1.00 0.00 C ATOM 329 C GLU A 21 9.190 -3.078 -7.560 1.00 0.00 C ATOM 330 O GLU A 21 8.387 -2.146 -7.585 1.00 0.00 O ATOM 331 CB GLU A 21 8.511 -4.975 -9.041 1.00 0.00 C ATOM 332 CG GLU A 21 8.745 -5.778 -10.310 1.00 0.00 C ATOM 333 CD GLU A 21 7.740 -6.900 -10.483 1.00 0.00 C ATOM 334 OE1 GLU A 21 6.666 -6.650 -11.072 1.00 0.00 O ATOM 335 OE2 GLU A 21 8.024 -8.028 -10.028 1.00 0.00 O ATOM 0 H GLU A 21 10.918 -5.397 -8.547 1.00 0.00 H new ATOM 0 HA GLU A 21 9.483 -3.167 -9.676 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.542 -5.648 -8.184 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.510 -4.545 -9.072 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.693 -5.112 -11.172 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.751 -6.196 -10.291 1.00 0.00 H new ATOM 342 N LEU A 22 9.808 -3.477 -6.452 1.00 0.00 N ATOM 343 CA LEU A 22 9.575 -2.833 -5.164 1.00 0.00 C ATOM 344 C LEU A 22 9.824 -1.328 -5.243 1.00 0.00 C ATOM 345 O LEU A 22 8.989 -0.530 -4.818 1.00 0.00 O ATOM 346 CB LEU A 22 10.473 -3.466 -4.096 1.00 0.00 C ATOM 347 CG LEU A 22 10.418 -2.812 -2.712 1.00 0.00 C ATOM 348 CD1 LEU A 22 10.550 -3.864 -1.622 1.00 0.00 C ATOM 349 CD2 LEU A 22 11.515 -1.768 -2.573 1.00 0.00 C ATOM 0 H LEU A 22 10.477 -4.247 -6.421 1.00 0.00 H new ATOM 0 HA LEU A 22 8.531 -2.983 -4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.199 -4.516 -3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.503 -3.438 -4.450 1.00 0.00 H new ATOM 0 HG LEU A 22 9.453 -2.318 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.509 -3.383 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.734 -4.581 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.502 -4.383 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.461 -1.313 -1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.488 -2.243 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.383 -0.998 -3.334 1.00 0.00 H new ATOM 361 N LYS A 23 10.971 -0.946 -5.794 1.00 0.00 N ATOM 362 CA LYS A 23 11.324 0.463 -5.922 1.00 0.00 C ATOM 363 C LYS A 23 10.481 1.147 -6.993 1.00 0.00 C ATOM 364 O LYS A 23 10.214 2.346 -6.914 1.00 0.00 O ATOM 365 CB LYS A 23 12.810 0.610 -6.255 1.00 0.00 C ATOM 366 CG LYS A 23 13.248 -0.204 -7.460 1.00 0.00 C ATOM 367 CD LYS A 23 14.735 -0.041 -7.731 1.00 0.00 C ATOM 368 CE LYS A 23 15.185 -0.900 -8.902 1.00 0.00 C ATOM 369 NZ LYS A 23 16.645 -0.759 -9.163 1.00 0.00 N ATOM 0 H LYS A 23 11.671 -1.592 -6.159 1.00 0.00 H new ATOM 0 HA LYS A 23 11.121 0.947 -4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.030 1.662 -6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.399 0.307 -5.389 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.021 -1.257 -7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.681 0.108 -8.337 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.955 1.006 -7.940 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.300 -0.314 -6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.952 -1.945 -8.697 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.627 -0.618 -9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 16.913 -1.360 -9.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.864 0.234 -9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.178 -1.052 -8.320 1.00 0.00 H new ATOM 383 N ARG A 24 10.065 0.376 -7.991 1.00 0.00 N ATOM 384 CA ARG A 24 9.256 0.904 -9.087 1.00 0.00 C ATOM 385 C ARG A 24 7.954 1.512 -8.571 1.00 0.00 C ATOM 386 O ARG A 24 7.525 2.565 -9.039 1.00 0.00 O ATOM 387 CB ARG A 24 8.950 -0.204 -10.097 1.00 0.00 C ATOM 388 CG ARG A 24 8.302 0.298 -11.377 1.00 0.00 C ATOM 389 CD ARG A 24 8.013 -0.845 -12.337 1.00 0.00 C ATOM 390 NE ARG A 24 7.551 -0.364 -13.636 1.00 0.00 N ATOM 391 CZ ARG A 24 7.107 -1.162 -14.603 1.00 0.00 C ATOM 392 NH1 ARG A 24 7.050 -2.474 -14.415 1.00 0.00 N ATOM 393 NH2 ARG A 24 6.716 -0.647 -15.761 1.00 0.00 N ATOM 0 H ARG A 24 10.274 -0.620 -8.065 1.00 0.00 H new ATOM 0 HA ARG A 24 9.828 1.692 -9.578 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.876 -0.721 -10.348 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.292 -0.937 -9.630 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.374 0.818 -11.138 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.958 1.023 -11.859 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.915 -1.443 -12.471 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.258 -1.501 -11.903 1.00 0.00 H new ATOM 0 HE ARG A 24 7.570 0.641 -13.812 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.347 -2.875 -13.526 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.709 -3.082 -15.160 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.756 0.361 -15.910 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.376 -1.259 -16.502 1.00 0.00 H new ATOM 407 N PHE A 25 7.331 0.843 -7.606 1.00 0.00 N ATOM 408 CA PHE A 25 6.076 1.318 -7.031 1.00 0.00 C ATOM 409 C PHE A 25 6.263 2.662 -6.330 1.00 0.00 C ATOM 410 O PHE A 25 5.578 3.637 -6.644 1.00 0.00 O ATOM 411 CB PHE A 25 5.522 0.286 -6.044 1.00 0.00 C ATOM 412 CG PHE A 25 4.276 0.734 -5.333 1.00 0.00 C ATOM 413 CD1 PHE A 25 3.101 0.952 -6.033 1.00 0.00 C ATOM 414 CD2 PHE A 25 4.281 0.937 -3.962 1.00 0.00 C ATOM 415 CE1 PHE A 25 1.954 1.363 -5.380 1.00 0.00 C ATOM 416 CE2 PHE A 25 3.138 1.348 -3.302 1.00 0.00 C ATOM 417 CZ PHE A 25 1.973 1.561 -4.013 1.00 0.00 C ATOM 0 H PHE A 25 7.674 -0.030 -7.205 1.00 0.00 H new ATOM 0 HA PHE A 25 5.364 1.455 -7.845 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.310 -0.639 -6.581 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.289 0.057 -5.304 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.081 0.799 -7.102 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.190 0.772 -3.402 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.044 1.529 -5.938 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.156 1.502 -2.233 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.078 1.882 -3.501 1.00 0.00 H new ATOM 427 N LYS A 26 7.192 2.707 -5.381 1.00 0.00 N ATOM 428 CA LYS A 26 7.469 3.927 -4.630 1.00 0.00 C ATOM 429 C LYS A 26 8.003 5.035 -5.533 1.00 0.00 C ATOM 430 O LYS A 26 7.884 6.217 -5.212 1.00 0.00 O ATOM 431 CB LYS A 26 8.469 3.639 -3.511 1.00 0.00 C ATOM 432 CG LYS A 26 7.825 3.059 -2.261 1.00 0.00 C ATOM 433 CD LYS A 26 8.821 2.259 -1.436 1.00 0.00 C ATOM 434 CE LYS A 26 9.158 0.936 -2.105 1.00 0.00 C ATOM 435 NZ LYS A 26 7.940 0.124 -2.375 1.00 0.00 N ATOM 0 H LYS A 26 7.768 1.909 -5.113 1.00 0.00 H new ATOM 0 HA LYS A 26 6.529 4.271 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.224 2.944 -3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.986 4.562 -3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.415 3.867 -1.654 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.990 2.419 -2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.732 2.841 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.408 2.073 -0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.682 1.126 -3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.838 0.370 -1.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.956 -0.208 -3.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.919 -0.695 -1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.093 0.707 -2.220 1.00 0.00 H new ATOM 449 N TYR A 27 8.596 4.654 -6.659 1.00 0.00 N ATOM 450 CA TYR A 27 9.147 5.627 -7.597 1.00 0.00 C ATOM 451 C TYR A 27 8.042 6.480 -8.216 1.00 0.00 C ATOM 452 O TYR A 27 8.162 7.703 -8.297 1.00 0.00 O ATOM 453 CB TYR A 27 9.939 4.916 -8.696 1.00 0.00 C ATOM 454 CG TYR A 27 10.578 5.857 -9.694 1.00 0.00 C ATOM 455 CD1 TYR A 27 11.837 6.397 -9.462 1.00 0.00 C ATOM 456 CD2 TYR A 27 9.921 6.206 -10.868 1.00 0.00 C ATOM 457 CE1 TYR A 27 12.423 7.258 -10.369 1.00 0.00 C ATOM 458 CE2 TYR A 27 10.501 7.066 -11.781 1.00 0.00 C ATOM 459 CZ TYR A 27 11.751 7.590 -11.527 1.00 0.00 C ATOM 460 OH TYR A 27 12.332 8.447 -12.433 1.00 0.00 O ATOM 0 H TYR A 27 8.708 3.681 -6.945 1.00 0.00 H new ATOM 0 HA TYR A 27 9.817 6.285 -7.044 1.00 0.00 H new ATOM 0 HB2 TYR A 27 10.717 4.308 -8.235 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.274 4.235 -9.227 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.367 6.139 -8.557 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.941 5.799 -11.070 1.00 0.00 H new ATOM 0 HE1 TYR A 27 13.402 7.669 -10.173 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.978 7.327 -12.689 1.00 0.00 H new ATOM 0 HH TYR A 27 11.729 8.576 -13.194 1.00 0.00 H new ATOM 470 N PHE A 28 6.967 5.831 -8.653 1.00 0.00 N ATOM 471 CA PHE A 28 5.847 6.535 -9.269 1.00 0.00 C ATOM 472 C PHE A 28 4.979 7.227 -8.221 1.00 0.00 C ATOM 473 O PHE A 28 4.622 8.395 -8.376 1.00 0.00 O ATOM 474 CB PHE A 28 5.001 5.570 -10.101 1.00 0.00 C ATOM 475 CG PHE A 28 5.587 5.275 -11.453 1.00 0.00 C ATOM 476 CD1 PHE A 28 6.688 4.442 -11.580 1.00 0.00 C ATOM 477 CD2 PHE A 28 5.040 5.834 -12.597 1.00 0.00 C ATOM 478 CE1 PHE A 28 7.231 4.173 -12.822 1.00 0.00 C ATOM 479 CE2 PHE A 28 5.580 5.569 -13.842 1.00 0.00 C ATOM 480 CZ PHE A 28 6.677 4.737 -13.954 1.00 0.00 C ATOM 0 H PHE A 28 6.848 4.820 -8.592 1.00 0.00 H new ATOM 0 HA PHE A 28 6.259 7.302 -9.925 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.884 4.635 -9.552 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.004 5.991 -10.230 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.126 3.998 -10.698 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.182 6.484 -12.515 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.088 3.522 -12.907 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.145 6.012 -14.726 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.101 4.528 -14.925 1.00 0.00 H new ATOM 490 N ALA A 29 4.636 6.505 -7.157 1.00 0.00 N ATOM 491 CA ALA A 29 3.808 7.068 -6.095 1.00 0.00 C ATOM 492 C ALA A 29 4.533 8.205 -5.384 1.00 0.00 C ATOM 493 O ALA A 29 4.004 9.309 -5.255 1.00 0.00 O ATOM 494 CB ALA A 29 3.418 5.986 -5.097 1.00 0.00 C ATOM 0 H ALA A 29 4.916 5.536 -7.008 1.00 0.00 H new ATOM 0 HA ALA A 29 2.903 7.471 -6.549 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.801 6.421 -4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.856 5.205 -5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.318 5.557 -4.656 1.00 0.00 H new ATOM 500 N LEU A 30 5.749 7.926 -4.921 1.00 0.00 N ATOM 501 CA LEU A 30 6.553 8.928 -4.227 1.00 0.00 C ATOM 502 C LEU A 30 7.568 9.562 -5.172 1.00 0.00 C ATOM 503 O LEU A 30 8.682 9.060 -5.323 1.00 0.00 O ATOM 504 CB LEU A 30 7.277 8.289 -3.041 1.00 0.00 C ATOM 505 CG LEU A 30 6.423 7.342 -2.195 1.00 0.00 C ATOM 506 CD1 LEU A 30 7.288 6.601 -1.189 1.00 0.00 C ATOM 507 CD2 LEU A 30 5.315 8.108 -1.488 1.00 0.00 C ATOM 0 H LEU A 30 6.199 7.015 -5.014 1.00 0.00 H new ATOM 0 HA LEU A 30 5.885 9.709 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.140 7.739 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.659 9.082 -2.398 1.00 0.00 H new ATOM 0 HG LEU A 30 5.962 6.609 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.664 5.932 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.044 6.020 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.777 7.319 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.719 7.418 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.754 8.864 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.678 8.592 -2.228 1.00 0.00 H new ATOM 519 N THR A 31 7.178 10.656 -5.817 1.00 0.00 N ATOM 520 CA THR A 31 8.068 11.345 -6.744 1.00 0.00 C ATOM 521 C THR A 31 8.864 12.448 -6.053 1.00 0.00 C ATOM 522 O THR A 31 10.086 12.515 -6.178 1.00 0.00 O ATOM 523 CB THR A 31 7.284 11.953 -7.920 1.00 0.00 C ATOM 524 OG1 THR A 31 6.339 12.914 -7.437 1.00 0.00 O ATOM 525 CG2 THR A 31 6.558 10.869 -8.699 1.00 0.00 C ATOM 0 H THR A 31 6.257 11.083 -5.716 1.00 0.00 H new ATOM 0 HA THR A 31 8.763 10.595 -7.121 1.00 0.00 H new ATOM 0 HB THR A 31 7.993 12.447 -8.585 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.846 13.297 -8.193 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.010 11.320 -9.526 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.283 10.155 -9.091 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.860 10.353 -8.040 1.00 0.00 H new ATOM 533 N GLU A 32 8.161 13.309 -5.324 1.00 0.00 N ATOM 534 CA GLU A 32 8.798 14.420 -4.623 1.00 0.00 C ATOM 535 C GLU A 32 9.079 14.084 -3.161 1.00 0.00 C ATOM 536 O GLU A 32 9.733 14.855 -2.458 1.00 0.00 O ATOM 537 CB GLU A 32 7.920 15.670 -4.711 1.00 0.00 C ATOM 538 CG GLU A 32 7.625 16.105 -6.136 1.00 0.00 C ATOM 539 CD GLU A 32 6.745 17.336 -6.201 1.00 0.00 C ATOM 540 OE1 GLU A 32 5.506 17.184 -6.185 1.00 0.00 O ATOM 541 OE2 GLU A 32 7.296 18.455 -6.269 1.00 0.00 O ATOM 0 H GLU A 32 7.149 13.259 -5.203 1.00 0.00 H new ATOM 0 HA GLU A 32 9.755 14.610 -5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.979 15.480 -4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 32 8.412 16.488 -4.185 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.564 16.307 -6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.139 15.287 -6.668 1.00 0.00 H new ATOM 548 N PHE A 33 8.586 12.938 -2.704 1.00 0.00 N ATOM 549 CA PHE A 33 8.784 12.530 -1.316 1.00 0.00 C ATOM 550 C PHE A 33 10.177 11.942 -1.095 1.00 0.00 C ATOM 551 O PHE A 33 10.689 11.957 0.024 1.00 0.00 O ATOM 552 CB PHE A 33 7.713 11.519 -0.904 1.00 0.00 C ATOM 553 CG PHE A 33 6.322 12.088 -0.909 1.00 0.00 C ATOM 554 CD1 PHE A 33 5.944 13.036 0.028 1.00 0.00 C ATOM 555 CD2 PHE A 33 5.391 11.671 -1.849 1.00 0.00 C ATOM 556 CE1 PHE A 33 4.663 13.559 0.027 1.00 0.00 C ATOM 557 CE2 PHE A 33 4.111 12.191 -1.854 1.00 0.00 C ATOM 558 CZ PHE A 33 3.746 13.135 -0.915 1.00 0.00 C ATOM 0 H PHE A 33 8.050 12.279 -3.269 1.00 0.00 H new ATOM 0 HA PHE A 33 8.696 13.420 -0.693 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.751 10.665 -1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.941 11.145 0.094 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.657 13.370 0.767 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.670 10.932 -2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.380 14.298 0.762 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.396 11.859 -2.592 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.745 13.541 -0.917 1.00 0.00 H new ATOM 568 N GLN A 34 10.788 11.438 -2.167 1.00 0.00 N ATOM 569 CA GLN A 34 12.128 10.852 -2.090 1.00 0.00 C ATOM 570 C GLN A 34 12.278 9.965 -0.853 1.00 0.00 C ATOM 571 O GLN A 34 13.006 10.302 0.079 1.00 0.00 O ATOM 572 CB GLN A 34 13.189 11.957 -2.076 1.00 0.00 C ATOM 573 CG GLN A 34 14.616 11.441 -2.168 1.00 0.00 C ATOM 574 CD GLN A 34 15.644 12.554 -2.082 1.00 0.00 C ATOM 575 OE1 GLN A 34 15.386 13.685 -2.491 1.00 0.00 O ATOM 576 NE2 GLN A 34 16.819 12.237 -1.547 1.00 0.00 N ATOM 0 H GLN A 34 10.377 11.423 -3.100 1.00 0.00 H new ATOM 0 HA GLN A 34 12.271 10.228 -2.972 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.004 12.636 -2.909 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.082 12.539 -1.161 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.792 10.725 -1.365 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.745 10.904 -3.108 1.00 0.00 H new ATOM 0 HE21 GLN A 34 16.991 11.286 -1.220 1.00 0.00 H new ATOM 0 HE22 GLN A 34 17.549 12.945 -1.463 1.00 0.00 H new ATOM 585 N ILE A 35 11.572 8.838 -0.844 1.00 0.00 N ATOM 586 CA ILE A 35 11.629 7.913 0.283 1.00 0.00 C ATOM 587 C ILE A 35 13.024 7.296 0.412 1.00 0.00 C ATOM 588 O ILE A 35 13.765 7.208 -0.567 1.00 0.00 O ATOM 589 CB ILE A 35 10.569 6.799 0.146 1.00 0.00 C ATOM 590 CG1 ILE A 35 10.326 6.124 1.497 1.00 0.00 C ATOM 591 CG2 ILE A 35 10.995 5.776 -0.897 1.00 0.00 C ATOM 592 CD1 ILE A 35 9.005 5.385 1.576 1.00 0.00 C ATOM 0 H ILE A 35 10.956 8.544 -1.602 1.00 0.00 H new ATOM 0 HA ILE A 35 11.413 8.484 1.186 1.00 0.00 H new ATOM 0 HB ILE A 35 9.635 7.252 -0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.137 5.424 1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.358 6.879 2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.234 5.000 -0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.115 6.268 -1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.942 5.326 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.900 4.931 2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.186 6.085 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.977 4.607 0.814 1.00 0.00 H new ATOM 604 N ALA A 36 13.374 6.872 1.625 1.00 0.00 N ATOM 605 CA ALA A 36 14.685 6.277 1.886 1.00 0.00 C ATOM 606 C ALA A 36 14.740 4.811 1.463 1.00 0.00 C ATOM 607 O ALA A 36 13.895 4.007 1.854 1.00 0.00 O ATOM 608 CB ALA A 36 15.038 6.412 3.358 1.00 0.00 C ATOM 0 H ALA A 36 12.768 6.929 2.444 1.00 0.00 H new ATOM 0 HA ALA A 36 15.417 6.819 1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.016 5.966 3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 36 15.064 7.467 3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.288 5.900 3.961 1.00 0.00 H new ATOM 614 N ARG A 37 15.746 4.471 0.659 1.00 0.00 N ATOM 615 CA ARG A 37 15.927 3.104 0.180 1.00 0.00 C ATOM 616 C ARG A 37 16.294 2.158 1.322 1.00 0.00 C ATOM 617 O ARG A 37 16.139 0.943 1.208 1.00 0.00 O ATOM 618 CB ARG A 37 17.018 3.057 -0.892 1.00 0.00 C ATOM 619 CG ARG A 37 18.371 3.548 -0.402 1.00 0.00 C ATOM 620 CD ARG A 37 19.462 3.291 -1.426 1.00 0.00 C ATOM 621 NE ARG A 37 20.766 3.764 -0.966 1.00 0.00 N ATOM 622 CZ ARG A 37 21.911 3.480 -1.579 1.00 0.00 C ATOM 623 NH1 ARG A 37 21.914 2.725 -2.669 1.00 0.00 N ATOM 624 NH2 ARG A 37 23.054 3.953 -1.101 1.00 0.00 N ATOM 0 H ARG A 37 16.451 5.128 0.325 1.00 0.00 H new ATOM 0 HA ARG A 37 14.980 2.777 -0.249 1.00 0.00 H new ATOM 0 HB2 ARG A 37 17.120 2.033 -1.251 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.707 3.663 -1.743 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.316 4.615 -0.188 1.00 0.00 H new ATOM 0 HG3 ARG A 37 18.624 3.048 0.533 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.517 2.223 -1.637 1.00 0.00 H new ATOM 0 HD3 ARG A 37 19.205 3.788 -2.362 1.00 0.00 H new ATOM 0 HE ARG A 37 20.800 4.344 -0.128 1.00 0.00 H new ATOM 0 HH11 ARG A 37 21.036 2.360 -3.039 1.00 0.00 H new ATOM 0 HH12 ARG A 37 22.794 2.509 -3.137 1.00 0.00 H new ATOM 0 HH21 ARG A 37 23.055 4.535 -0.263 1.00 0.00 H new ATOM 0 HH22 ARG A 37 23.933 3.735 -1.571 1.00 0.00 H new ATOM 638 N SER A 38 16.791 2.722 2.418 1.00 0.00 N ATOM 639 CA SER A 38 17.191 1.925 3.573 1.00 0.00 C ATOM 640 C SER A 38 15.975 1.387 4.323 1.00 0.00 C ATOM 641 O SER A 38 16.011 0.285 4.873 1.00 0.00 O ATOM 642 CB SER A 38 18.056 2.762 4.518 1.00 0.00 C ATOM 643 OG SER A 38 17.347 3.893 4.991 1.00 0.00 O ATOM 0 H SER A 38 16.926 3.727 2.531 1.00 0.00 H new ATOM 0 HA SER A 38 17.770 1.076 3.209 1.00 0.00 H new ATOM 0 HB2 SER A 38 18.375 2.150 5.362 1.00 0.00 H new ATOM 0 HB3 SER A 38 18.958 3.085 3.999 1.00 0.00 H new ATOM 0 HG SER A 38 17.921 4.410 5.594 1.00 0.00 H new ATOM 649 N THR A 39 14.902 2.169 4.339 1.00 0.00 N ATOM 650 CA THR A 39 13.675 1.778 5.024 1.00 0.00 C ATOM 651 C THR A 39 12.971 0.630 4.309 1.00 0.00 C ATOM 652 O THR A 39 12.129 -0.051 4.894 1.00 0.00 O ATOM 653 CB THR A 39 12.698 2.961 5.139 1.00 0.00 C ATOM 654 OG1 THR A 39 12.291 3.388 3.833 1.00 0.00 O ATOM 655 CG2 THR A 39 13.337 4.125 5.880 1.00 0.00 C ATOM 0 H THR A 39 14.857 3.081 3.884 1.00 0.00 H new ATOM 0 HA THR A 39 13.970 1.450 6.021 1.00 0.00 H new ATOM 0 HB THR A 39 11.826 2.628 5.703 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.072 3.709 3.335 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.625 4.948 5.947 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.620 3.806 6.883 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.225 4.456 5.341 1.00 0.00 H new ATOM 663 N LEU A 40 13.323 0.420 3.042 1.00 0.00 N ATOM 664 CA LEU A 40 12.717 -0.637 2.232 1.00 0.00 C ATOM 665 C LEU A 40 12.730 -1.989 2.947 1.00 0.00 C ATOM 666 O LEU A 40 11.973 -2.892 2.589 1.00 0.00 O ATOM 667 CB LEU A 40 13.443 -0.754 0.890 1.00 0.00 C ATOM 668 CG LEU A 40 13.452 0.519 0.039 1.00 0.00 C ATOM 669 CD1 LEU A 40 14.218 0.290 -1.254 1.00 0.00 C ATOM 670 CD2 LEU A 40 12.033 0.982 -0.258 1.00 0.00 C ATOM 0 H LEU A 40 14.028 0.970 2.552 1.00 0.00 H new ATOM 0 HA LEU A 40 11.676 -0.361 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.474 -1.053 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 40 12.979 -1.554 0.313 1.00 0.00 H new ATOM 0 HG LEU A 40 13.954 1.303 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 40 14.214 1.205 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 40 15.246 0.011 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.744 -0.511 -1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.065 1.888 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.502 0.201 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.515 1.190 0.678 1.00 0.00 H new ATOM 682 N ASP A 41 13.589 -2.124 3.952 1.00 0.00 N ATOM 683 CA ASP A 41 13.690 -3.370 4.708 1.00 0.00 C ATOM 684 C ASP A 41 12.349 -3.740 5.339 1.00 0.00 C ATOM 685 O ASP A 41 11.757 -4.767 5.005 1.00 0.00 O ATOM 686 CB ASP A 41 14.761 -3.245 5.793 1.00 0.00 C ATOM 687 CG ASP A 41 14.988 -4.546 6.535 1.00 0.00 C ATOM 688 OD1 ASP A 41 15.790 -5.374 6.052 1.00 0.00 O ATOM 689 OD2 ASP A 41 14.363 -4.739 7.599 1.00 0.00 O ATOM 0 H ASP A 41 14.224 -1.389 4.262 1.00 0.00 H new ATOM 0 HA ASP A 41 13.973 -4.163 4.015 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.698 -2.921 5.339 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.466 -2.472 6.503 1.00 0.00 H new ATOM 694 N VAL A 42 11.879 -2.898 6.253 1.00 0.00 N ATOM 695 CA VAL A 42 10.607 -3.128 6.932 1.00 0.00 C ATOM 696 C VAL A 42 9.550 -2.142 6.453 1.00 0.00 C ATOM 697 O VAL A 42 8.496 -1.994 7.071 1.00 0.00 O ATOM 698 CB VAL A 42 10.751 -2.996 8.459 1.00 0.00 C ATOM 699 CG1 VAL A 42 11.479 -4.200 9.036 1.00 0.00 C ATOM 700 CG2 VAL A 42 11.475 -1.707 8.814 1.00 0.00 C ATOM 0 H VAL A 42 12.361 -2.047 6.542 1.00 0.00 H new ATOM 0 HA VAL A 42 10.298 -4.145 6.690 1.00 0.00 H new ATOM 0 HB VAL A 42 9.754 -2.962 8.898 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.570 -4.087 10.116 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.917 -5.107 8.812 1.00 0.00 H new ATOM 0 HG13 VAL A 42 12.473 -4.271 8.593 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.569 -1.629 9.897 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.467 -1.711 8.363 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.909 -0.856 8.436 1.00 0.00 H new ATOM 710 N ALA A 43 9.847 -1.472 5.345 1.00 0.00 N ATOM 711 CA ALA A 43 8.942 -0.484 4.773 1.00 0.00 C ATOM 712 C ALA A 43 7.528 -1.015 4.620 1.00 0.00 C ATOM 713 O ALA A 43 6.560 -0.308 4.880 1.00 0.00 O ATOM 714 CB ALA A 43 9.467 -0.007 3.427 1.00 0.00 C ATOM 0 H ALA A 43 10.714 -1.597 4.823 1.00 0.00 H new ATOM 0 HA ALA A 43 8.901 0.354 5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.782 0.731 3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.450 0.445 3.559 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.546 -0.855 2.746 1.00 0.00 H new ATOM 720 N ASP A 44 7.400 -2.275 4.262 1.00 0.00 N ATOM 721 CA ASP A 44 6.082 -2.840 4.041 1.00 0.00 C ATOM 722 C ASP A 44 5.187 -2.691 5.267 1.00 0.00 C ATOM 723 O ASP A 44 4.082 -2.158 5.164 1.00 0.00 O ATOM 724 CB ASP A 44 6.206 -4.318 3.666 1.00 0.00 C ATOM 725 CG ASP A 44 6.936 -5.126 4.721 1.00 0.00 C ATOM 726 OD1 ASP A 44 8.185 -5.139 4.699 1.00 0.00 O ATOM 727 OD2 ASP A 44 6.260 -5.745 5.569 1.00 0.00 O ATOM 0 H ASP A 44 8.177 -2.920 4.119 1.00 0.00 H new ATOM 0 HA ASP A 44 5.619 -2.289 3.223 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.211 -4.736 3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.734 -4.405 2.716 1.00 0.00 H new ATOM 732 N ARG A 45 5.651 -3.151 6.422 1.00 0.00 N ATOM 733 CA ARG A 45 4.842 -3.050 7.630 1.00 0.00 C ATOM 734 C ARG A 45 4.872 -1.672 8.316 1.00 0.00 C ATOM 735 O ARG A 45 3.843 -1.002 8.420 1.00 0.00 O ATOM 736 CB ARG A 45 5.250 -4.139 8.632 1.00 0.00 C ATOM 737 CG ARG A 45 6.754 -4.346 8.761 1.00 0.00 C ATOM 738 CD ARG A 45 7.076 -5.480 9.721 1.00 0.00 C ATOM 739 NE ARG A 45 6.502 -6.749 9.284 1.00 0.00 N ATOM 740 CZ ARG A 45 6.586 -7.877 9.982 1.00 0.00 C ATOM 741 NH1 ARG A 45 7.223 -7.897 11.144 1.00 0.00 N ATOM 742 NH2 ARG A 45 6.031 -8.988 9.518 1.00 0.00 N ATOM 0 H ARG A 45 6.564 -3.589 6.548 1.00 0.00 H new ATOM 0 HA ARG A 45 3.813 -3.192 7.300 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.846 -3.884 9.612 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.790 -5.081 8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.178 -4.565 7.781 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.221 -3.426 9.112 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.157 -5.583 9.810 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.697 -5.234 10.713 1.00 0.00 H new ATOM 0 HE ARG A 45 6.008 -6.771 8.392 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.651 -7.045 11.506 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.285 -8.765 11.677 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.539 -8.978 8.625 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.096 -9.853 10.054 1.00 0.00 H new ATOM 756 N THR A 46 6.054 -1.258 8.781 1.00 0.00 N ATOM 757 CA THR A 46 6.198 -0.007 9.537 1.00 0.00 C ATOM 758 C THR A 46 6.376 1.299 8.744 1.00 0.00 C ATOM 759 O THR A 46 5.567 2.219 8.865 1.00 0.00 O ATOM 760 CB THR A 46 7.378 -0.120 10.520 1.00 0.00 C ATOM 761 OG1 THR A 46 8.601 -0.315 9.799 1.00 0.00 O ATOM 762 CG2 THR A 46 7.165 -1.275 11.488 1.00 0.00 C ATOM 0 H THR A 46 6.926 -1.770 8.648 1.00 0.00 H new ATOM 0 HA THR A 46 5.227 0.087 10.023 1.00 0.00 H new ATOM 0 HB THR A 46 7.438 0.807 11.090 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.346 -0.384 10.432 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.011 -1.336 12.173 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.249 -1.110 12.056 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.082 -2.207 10.929 1.00 0.00 H new ATOM 770 N GLU A 47 7.435 1.373 7.937 1.00 0.00 N ATOM 771 CA GLU A 47 7.787 2.616 7.233 1.00 0.00 C ATOM 772 C GLU A 47 6.871 3.031 6.075 1.00 0.00 C ATOM 773 O GLU A 47 6.272 4.103 6.126 1.00 0.00 O ATOM 774 CB GLU A 47 9.231 2.525 6.743 1.00 0.00 C ATOM 775 CG GLU A 47 10.244 3.065 7.741 1.00 0.00 C ATOM 776 CD GLU A 47 10.071 4.549 8.002 1.00 0.00 C ATOM 777 OE1 GLU A 47 9.290 4.905 8.909 1.00 0.00 O ATOM 778 OE2 GLU A 47 10.717 5.353 7.299 1.00 0.00 O ATOM 0 H GLU A 47 8.065 0.592 7.752 1.00 0.00 H new ATOM 0 HA GLU A 47 7.652 3.403 7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.467 1.484 6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.325 3.076 5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.148 2.521 8.681 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.251 2.881 7.367 1.00 0.00 H new ATOM 785 N LEU A 48 6.758 2.205 5.045 1.00 0.00 N ATOM 786 CA LEU A 48 5.942 2.558 3.878 1.00 0.00 C ATOM 787 C LEU A 48 4.489 2.838 4.252 1.00 0.00 C ATOM 788 O LEU A 48 3.939 3.874 3.884 1.00 0.00 O ATOM 789 CB LEU A 48 5.999 1.458 2.814 1.00 0.00 C ATOM 790 CG LEU A 48 6.265 1.939 1.385 1.00 0.00 C ATOM 791 CD1 LEU A 48 6.251 0.764 0.421 1.00 0.00 C ATOM 792 CD2 LEU A 48 5.239 2.982 0.965 1.00 0.00 C ATOM 0 H LEU A 48 7.213 1.294 4.987 1.00 0.00 H new ATOM 0 HA LEU A 48 6.366 3.475 3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.778 0.748 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.054 0.915 2.826 1.00 0.00 H new ATOM 0 HG LEU A 48 7.252 2.402 1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.442 1.121 -0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.024 0.051 0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.277 0.276 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.448 3.309 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.240 2.548 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.293 3.837 1.639 1.00 0.00 H new ATOM 804 N ALA A 49 3.875 1.918 4.983 1.00 0.00 N ATOM 805 CA ALA A 49 2.478 2.064 5.381 1.00 0.00 C ATOM 806 C ALA A 49 2.214 3.390 6.092 1.00 0.00 C ATOM 807 O ALA A 49 1.336 4.152 5.690 1.00 0.00 O ATOM 808 CB ALA A 49 2.060 0.899 6.265 1.00 0.00 C ATOM 0 H ALA A 49 4.320 1.062 5.313 1.00 0.00 H new ATOM 0 HA ALA A 49 1.879 2.062 4.470 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.016 1.019 6.556 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.179 -0.035 5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.685 0.877 7.158 1.00 0.00 H new ATOM 814 N ASP A 50 2.975 3.660 7.145 1.00 0.00 N ATOM 815 CA ASP A 50 2.808 4.885 7.925 1.00 0.00 C ATOM 816 C ASP A 50 3.203 6.137 7.139 1.00 0.00 C ATOM 817 O ASP A 50 2.606 7.200 7.313 1.00 0.00 O ATOM 818 CB ASP A 50 3.634 4.807 9.210 1.00 0.00 C ATOM 819 CG ASP A 50 3.411 6.004 10.114 1.00 0.00 C ATOM 820 OD1 ASP A 50 4.112 7.022 9.935 1.00 0.00 O ATOM 821 OD2 ASP A 50 2.536 5.923 11.001 1.00 0.00 O ATOM 0 H ASP A 50 3.717 3.046 7.481 1.00 0.00 H new ATOM 0 HA ASP A 50 1.748 4.967 8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.377 3.895 9.749 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.692 4.739 8.955 1.00 0.00 H new ATOM 826 N HIS A 51 4.207 6.011 6.278 1.00 0.00 N ATOM 827 CA HIS A 51 4.700 7.149 5.502 1.00 0.00 C ATOM 828 C HIS A 51 3.728 7.591 4.407 1.00 0.00 C ATOM 829 O HIS A 51 3.304 8.746 4.380 1.00 0.00 O ATOM 830 CB HIS A 51 6.056 6.813 4.878 1.00 0.00 C ATOM 831 CG HIS A 51 6.703 7.977 4.193 1.00 0.00 C ATOM 832 ND1 HIS A 51 6.386 8.392 2.919 1.00 0.00 N ATOM 833 CD2 HIS A 51 7.671 8.821 4.633 1.00 0.00 C ATOM 834 CE1 HIS A 51 7.154 9.453 2.630 1.00 0.00 C ATOM 835 NE2 HIS A 51 7.950 9.754 3.636 1.00 0.00 N ATOM 0 H HIS A 51 4.697 5.134 6.098 1.00 0.00 H new ATOM 0 HA HIS A 51 4.801 7.981 6.199 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.723 6.443 5.656 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.926 6.005 4.158 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.148 8.777 5.601 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.124 9.991 1.694 1.00 0.00 H new ATOM 0 HE2 HIS A 51 8.630 10.513 3.677 1.00 0.00 H new ATOM 843 N LEU A 52 3.383 6.678 3.502 1.00 0.00 N ATOM 844 CA LEU A 52 2.489 7.003 2.391 1.00 0.00 C ATOM 845 C LEU A 52 1.163 7.593 2.871 1.00 0.00 C ATOM 846 O LEU A 52 0.638 8.525 2.261 1.00 0.00 O ATOM 847 CB LEU A 52 2.232 5.769 1.518 1.00 0.00 C ATOM 848 CG LEU A 52 1.378 4.670 2.156 1.00 0.00 C ATOM 849 CD1 LEU A 52 -0.089 4.861 1.802 1.00 0.00 C ATOM 850 CD2 LEU A 52 1.857 3.299 1.708 1.00 0.00 C ATOM 0 H LEU A 52 3.707 5.711 3.515 1.00 0.00 H new ATOM 0 HA LEU A 52 2.992 7.763 1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.746 6.093 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.193 5.339 1.237 1.00 0.00 H new ATOM 0 HG LEU A 52 1.483 4.737 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.681 4.071 2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.429 5.830 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.210 4.819 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.240 2.529 2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.780 3.223 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.896 3.160 2.009 1.00 0.00 H new ATOM 862 N ILE A 53 0.620 7.051 3.960 1.00 0.00 N ATOM 863 CA ILE A 53 -0.652 7.531 4.492 1.00 0.00 C ATOM 864 C ILE A 53 -0.518 8.920 5.109 1.00 0.00 C ATOM 865 O ILE A 53 -1.482 9.680 5.158 1.00 0.00 O ATOM 866 CB ILE A 53 -1.252 6.552 5.526 1.00 0.00 C ATOM 867 CG1 ILE A 53 -0.339 6.385 6.744 1.00 0.00 C ATOM 868 CG2 ILE A 53 -1.512 5.201 4.877 1.00 0.00 C ATOM 869 CD1 ILE A 53 -0.572 7.411 7.832 1.00 0.00 C ATOM 0 H ILE A 53 1.038 6.285 4.487 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.334 7.593 3.644 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.195 6.973 5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.485 5.389 7.161 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.699 6.445 6.418 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.935 4.519 5.614 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.213 5.323 4.051 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.575 4.792 4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.113 7.226 8.660 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.397 8.410 7.433 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.600 7.337 8.188 1.00 0.00 H new ATOM 881 N GLN A 54 0.679 9.246 5.581 1.00 0.00 N ATOM 882 CA GLN A 54 0.929 10.544 6.199 1.00 0.00 C ATOM 883 C GLN A 54 0.624 11.687 5.231 1.00 0.00 C ATOM 884 O GLN A 54 0.287 12.795 5.651 1.00 0.00 O ATOM 885 CB GLN A 54 2.381 10.638 6.672 1.00 0.00 C ATOM 886 CG GLN A 54 2.700 11.934 7.399 1.00 0.00 C ATOM 887 CD GLN A 54 4.153 12.027 7.817 1.00 0.00 C ATOM 888 OE1 GLN A 54 4.525 11.600 8.910 1.00 0.00 O ATOM 889 NE2 GLN A 54 4.983 12.588 6.946 1.00 0.00 N ATOM 0 H GLN A 54 1.492 8.631 5.548 1.00 0.00 H new ATOM 0 HA GLN A 54 0.265 10.636 7.058 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.594 9.798 7.333 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.042 10.542 5.811 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.457 12.778 6.753 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.066 12.016 8.282 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.630 12.928 6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.974 12.679 7.171 1.00 0.00 H new ATOM 898 N SER A 55 0.743 11.410 3.935 1.00 0.00 N ATOM 899 CA SER A 55 0.500 12.418 2.907 1.00 0.00 C ATOM 900 C SER A 55 -0.897 13.028 3.024 1.00 0.00 C ATOM 901 O SER A 55 -1.038 14.242 3.172 1.00 0.00 O ATOM 902 CB SER A 55 0.681 11.805 1.518 1.00 0.00 C ATOM 903 OG SER A 55 0.448 12.764 0.501 1.00 0.00 O ATOM 0 H SER A 55 1.007 10.494 3.571 1.00 0.00 H new ATOM 0 HA SER A 55 1.226 13.217 3.055 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.691 11.407 1.422 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.005 10.967 1.395 1.00 0.00 H new ATOM 0 HG SER A 55 0.572 12.346 -0.377 1.00 0.00 H new ATOM 909 N ALA A 56 -1.928 12.188 2.955 1.00 0.00 N ATOM 910 CA ALA A 56 -3.305 12.667 3.047 1.00 0.00 C ATOM 911 C ALA A 56 -4.067 11.986 4.180 1.00 0.00 C ATOM 912 O ALA A 56 -4.904 12.605 4.836 1.00 0.00 O ATOM 913 CB ALA A 56 -4.029 12.455 1.727 1.00 0.00 C ATOM 0 H ALA A 56 -1.837 11.179 2.836 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.266 13.734 3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.054 12.817 1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.515 13.003 0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.039 11.393 1.484 1.00 0.00 H new ATOM 919 N GLY A 57 -3.772 10.710 4.403 1.00 0.00 N ATOM 920 CA GLY A 57 -4.440 9.967 5.456 1.00 0.00 C ATOM 921 C GLY A 57 -4.372 8.468 5.238 1.00 0.00 C ATOM 922 O GLY A 57 -3.953 8.007 4.177 1.00 0.00 O ATOM 0 H GLY A 57 -3.082 10.177 3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.985 10.213 6.415 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.484 10.277 5.510 1.00 0.00 H new ATOM 926 N ALA A 58 -4.784 7.708 6.246 1.00 0.00 N ATOM 927 CA ALA A 58 -4.765 6.253 6.163 1.00 0.00 C ATOM 928 C ALA A 58 -5.824 5.735 5.194 1.00 0.00 C ATOM 929 O ALA A 58 -5.501 5.214 4.130 1.00 0.00 O ATOM 930 CB ALA A 58 -4.969 5.646 7.542 1.00 0.00 C ATOM 0 H ALA A 58 -5.135 8.076 7.130 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.789 5.952 5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.953 4.559 7.467 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.170 5.976 8.206 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.930 5.968 7.943 1.00 0.00 H new ATOM 936 N ALA A 59 -7.088 5.886 5.569 1.00 0.00 N ATOM 937 CA ALA A 59 -8.199 5.424 4.742 1.00 0.00 C ATOM 938 C ALA A 59 -8.118 5.965 3.316 1.00 0.00 C ATOM 939 O ALA A 59 -8.535 5.299 2.369 1.00 0.00 O ATOM 940 CB ALA A 59 -9.522 5.821 5.380 1.00 0.00 C ATOM 0 H ALA A 59 -7.372 6.327 6.444 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.134 4.338 4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.346 5.473 4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.599 5.369 6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.570 6.906 5.472 1.00 0.00 H new ATOM 946 N SER A 60 -7.582 7.170 3.166 1.00 0.00 N ATOM 947 CA SER A 60 -7.473 7.803 1.852 1.00 0.00 C ATOM 948 C SER A 60 -6.357 7.196 0.999 1.00 0.00 C ATOM 949 O SER A 60 -6.600 6.743 -0.119 1.00 0.00 O ATOM 950 CB SER A 60 -7.232 9.305 2.014 1.00 0.00 C ATOM 951 OG SER A 60 -8.290 9.919 2.728 1.00 0.00 O ATOM 0 H SER A 60 -7.216 7.730 3.936 1.00 0.00 H new ATOM 0 HA SER A 60 -8.415 7.626 1.334 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.291 9.471 2.539 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.135 9.769 1.032 1.00 0.00 H new ATOM 0 HG SER A 60 -8.110 10.878 2.819 1.00 0.00 H new ATOM 957 N ALA A 61 -5.139 7.192 1.529 1.00 0.00 N ATOM 958 CA ALA A 61 -3.986 6.672 0.797 1.00 0.00 C ATOM 959 C ALA A 61 -4.031 5.153 0.620 1.00 0.00 C ATOM 960 O ALA A 61 -3.742 4.644 -0.463 1.00 0.00 O ATOM 961 CB ALA A 61 -2.700 7.083 1.496 1.00 0.00 C ATOM 0 H ALA A 61 -4.923 7.542 2.462 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.019 7.106 -0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.845 6.692 0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.639 8.171 1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.692 6.682 2.509 1.00 0.00 H new ATOM 967 N VAL A 62 -4.385 4.434 1.679 1.00 0.00 N ATOM 968 CA VAL A 62 -4.445 2.973 1.630 1.00 0.00 C ATOM 969 C VAL A 62 -5.404 2.476 0.547 1.00 0.00 C ATOM 970 O VAL A 62 -5.195 1.409 -0.033 1.00 0.00 O ATOM 971 CB VAL A 62 -4.867 2.380 2.993 1.00 0.00 C ATOM 972 CG1 VAL A 62 -5.018 0.867 2.903 1.00 0.00 C ATOM 973 CG2 VAL A 62 -3.859 2.749 4.071 1.00 0.00 C ATOM 0 H VAL A 62 -4.635 4.836 2.582 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.438 2.633 1.387 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.834 2.804 3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.316 0.473 3.875 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.779 0.621 2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.067 0.423 2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.173 2.323 5.024 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.879 2.355 3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.802 3.834 4.160 1.00 0.00 H new ATOM 983 N THR A 63 -6.448 3.250 0.270 1.00 0.00 N ATOM 984 CA THR A 63 -7.432 2.865 -0.738 1.00 0.00 C ATOM 985 C THR A 63 -6.957 3.190 -2.152 1.00 0.00 C ATOM 986 O THR A 63 -7.000 2.337 -3.039 1.00 0.00 O ATOM 987 CB THR A 63 -8.789 3.550 -0.494 1.00 0.00 C ATOM 988 OG1 THR A 63 -8.607 4.961 -0.333 1.00 0.00 O ATOM 989 CG2 THR A 63 -9.469 2.975 0.739 1.00 0.00 C ATOM 0 H THR A 63 -6.635 4.143 0.726 1.00 0.00 H new ATOM 0 HA THR A 63 -7.553 1.786 -0.647 1.00 0.00 H new ATOM 0 HB THR A 63 -9.425 3.366 -1.360 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.602 5.183 0.621 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.426 3.474 0.892 1.00 0.00 H new ATOM 0 HG22 THR A 63 -9.635 1.907 0.598 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.834 3.132 1.611 1.00 0.00 H new ATOM 997 N LYS A 64 -6.506 4.424 -2.361 1.00 0.00 N ATOM 998 CA LYS A 64 -6.031 4.849 -3.674 1.00 0.00 C ATOM 999 C LYS A 64 -4.789 4.068 -4.090 1.00 0.00 C ATOM 1000 O LYS A 64 -4.536 3.870 -5.278 1.00 0.00 O ATOM 1001 CB LYS A 64 -5.720 6.345 -3.670 1.00 0.00 C ATOM 1002 CG LYS A 64 -4.589 6.724 -2.730 1.00 0.00 C ATOM 1003 CD LYS A 64 -3.900 7.998 -3.179 1.00 0.00 C ATOM 1004 CE LYS A 64 -2.805 8.408 -2.209 1.00 0.00 C ATOM 1005 NZ LYS A 64 -1.709 7.400 -2.150 1.00 0.00 N ATOM 0 H LYS A 64 -6.460 5.145 -1.641 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.824 4.648 -4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.462 6.657 -4.682 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.618 6.894 -3.386 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.981 6.856 -1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.863 5.912 -2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.473 7.852 -4.171 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.633 8.800 -3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.396 9.372 -2.510 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.231 8.539 -1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.908 7.789 -1.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.054 6.539 -1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.399 7.168 -3.115 1.00 0.00 H new ATOM 1019 N ALA A 65 -4.015 3.636 -3.100 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.795 2.877 -3.351 1.00 0.00 C ATOM 1021 C ALA A 65 -3.077 1.664 -4.228 1.00 0.00 C ATOM 1022 O ALA A 65 -2.220 1.223 -4.994 1.00 0.00 O ATOM 1023 CB ALA A 65 -2.162 2.448 -2.036 1.00 0.00 C ATOM 0 H ALA A 65 -4.212 3.799 -2.113 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.096 3.522 -3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.252 1.882 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.917 3.331 -1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.862 1.823 -1.482 1.00 0.00 H new ATOM 1029 N ILE A 66 -4.286 1.127 -4.102 1.00 0.00 N ATOM 1030 CA ILE A 66 -4.694 -0.043 -4.875 1.00 0.00 C ATOM 1031 C ILE A 66 -4.658 0.239 -6.375 1.00 0.00 C ATOM 1032 O ILE A 66 -4.194 -0.589 -7.157 1.00 0.00 O ATOM 1033 CB ILE A 66 -6.117 -0.499 -4.488 1.00 0.00 C ATOM 1034 CG1 ILE A 66 -6.173 -0.893 -3.007 1.00 0.00 C ATOM 1035 CG2 ILE A 66 -6.569 -1.655 -5.372 1.00 0.00 C ATOM 1036 CD1 ILE A 66 -5.382 -2.141 -2.672 1.00 0.00 C ATOM 0 H ILE A 66 -5.003 1.484 -3.470 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.983 -0.836 -4.642 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.800 0.336 -4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.797 -0.065 -2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.214 -1.047 -2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.574 -1.962 -5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.572 -1.336 -6.414 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.884 -2.495 -5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.471 -2.353 -1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.772 -2.983 -3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.333 -1.986 -2.924 1.00 0.00 H new ATOM 1048 N ASN A 67 -5.150 1.409 -6.766 1.00 0.00 N ATOM 1049 CA ASN A 67 -5.192 1.796 -8.175 1.00 0.00 C ATOM 1050 C ASN A 67 -3.792 1.869 -8.785 1.00 0.00 C ATOM 1051 O ASN A 67 -3.575 1.421 -9.910 1.00 0.00 O ATOM 1052 CB ASN A 67 -5.897 3.146 -8.328 1.00 0.00 C ATOM 1053 CG ASN A 67 -6.214 3.480 -9.774 1.00 0.00 C ATOM 1054 OD1 ASN A 67 -5.502 3.071 -10.692 1.00 0.00 O ATOM 1055 ND2 ASN A 67 -7.289 4.230 -9.984 1.00 0.00 N ATOM 0 H ASN A 67 -5.527 2.109 -6.127 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.750 1.029 -8.711 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.821 3.136 -7.751 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.267 3.930 -7.908 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.553 4.489 -10.935 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.851 4.548 -9.195 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.849 2.433 -8.040 1.00 0.00 N ATOM 1063 CA ILE A 68 -1.478 2.577 -8.521 1.00 0.00 C ATOM 1064 C ILE A 68 -0.748 1.236 -8.567 1.00 0.00 C ATOM 1065 O ILE A 68 -0.168 0.871 -9.591 1.00 0.00 O ATOM 1066 CB ILE A 68 -0.677 3.555 -7.636 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.353 4.928 -7.608 1.00 0.00 C ATOM 1068 CG2 ILE A 68 0.756 3.677 -8.139 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.809 5.849 -6.537 1.00 0.00 C ATOM 0 H ILE A 68 -3.007 2.798 -7.101 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.545 2.975 -9.534 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.654 3.161 -6.620 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.231 5.404 -8.581 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.423 4.794 -7.451 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.307 4.371 -7.504 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.236 2.699 -8.110 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.752 4.049 -9.164 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.334 6.803 -6.576 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.955 5.394 -5.557 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.255 6.014 -6.705 1.00 0.00 H new ATOM 1081 N PHE A 69 -0.779 0.508 -7.457 1.00 0.00 N ATOM 1082 CA PHE A 69 -0.104 -0.783 -7.361 1.00 0.00 C ATOM 1083 C PHE A 69 -0.616 -1.780 -8.398 1.00 0.00 C ATOM 1084 O PHE A 69 0.175 -2.454 -9.057 1.00 0.00 O ATOM 1085 CB PHE A 69 -0.276 -1.369 -5.958 1.00 0.00 C ATOM 1086 CG PHE A 69 0.472 -2.656 -5.752 1.00 0.00 C ATOM 1087 CD1 PHE A 69 1.819 -2.645 -5.427 1.00 0.00 C ATOM 1088 CD2 PHE A 69 -0.172 -3.877 -5.886 1.00 0.00 C ATOM 1089 CE1 PHE A 69 2.511 -3.826 -5.239 1.00 0.00 C ATOM 1090 CE2 PHE A 69 0.516 -5.062 -5.699 1.00 0.00 C ATOM 1091 CZ PHE A 69 1.858 -5.036 -5.376 1.00 0.00 C ATOM 0 H PHE A 69 -1.266 0.790 -6.607 1.00 0.00 H new ATOM 0 HA PHE A 69 0.953 -0.607 -7.561 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.063 -0.639 -5.223 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.336 -1.540 -5.771 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.334 -1.702 -5.319 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.222 -3.903 -6.139 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.561 -3.803 -4.985 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.004 -6.007 -5.806 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.397 -5.961 -5.231 1.00 0.00 H new ATOM 1101 N GLN A 70 -1.933 -1.875 -8.539 1.00 0.00 N ATOM 1102 CA GLN A 70 -2.530 -2.814 -9.484 1.00 0.00 C ATOM 1103 C GLN A 70 -2.044 -2.566 -10.912 1.00 0.00 C ATOM 1104 O GLN A 70 -1.538 -3.472 -11.573 1.00 0.00 O ATOM 1105 CB GLN A 70 -4.066 -2.743 -9.420 1.00 0.00 C ATOM 1106 CG GLN A 70 -4.669 -1.459 -9.974 1.00 0.00 C ATOM 1107 CD GLN A 70 -6.186 -1.486 -9.991 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -6.839 -0.451 -9.859 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -6.759 -2.674 -10.160 1.00 0.00 N ATOM 0 H GLN A 70 -2.606 -1.317 -8.014 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.211 -3.816 -9.196 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.478 -3.589 -9.971 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.378 -2.856 -8.382 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.331 -0.615 -9.373 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.301 -1.297 -10.987 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.182 -3.508 -10.266 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.776 -2.751 -10.184 1.00 0.00 H new ATOM 1118 N LYS A 71 -2.177 -1.334 -11.369 1.00 0.00 N ATOM 1119 CA LYS A 71 -1.784 -0.961 -12.721 1.00 0.00 C ATOM 1120 C LYS A 71 -0.272 -1.002 -12.924 1.00 0.00 C ATOM 1121 O LYS A 71 0.202 -0.846 -14.049 1.00 0.00 O ATOM 1122 CB LYS A 71 -2.307 0.440 -13.043 1.00 0.00 C ATOM 1123 CG LYS A 71 -3.824 0.526 -13.098 1.00 0.00 C ATOM 1124 CD LYS A 71 -4.378 -0.141 -14.347 1.00 0.00 C ATOM 1125 CE LYS A 71 -4.123 0.700 -15.588 1.00 0.00 C ATOM 1126 NZ LYS A 71 -4.810 2.018 -15.513 1.00 0.00 N ATOM 0 H LYS A 71 -2.558 -0.565 -10.818 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.223 -1.694 -13.398 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.939 1.138 -12.291 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.898 0.760 -14.002 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.248 0.052 -12.213 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.131 1.572 -13.077 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.919 -1.122 -14.471 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.450 -0.303 -14.230 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.051 0.855 -15.708 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.467 0.160 -16.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.905 2.415 -16.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.754 1.894 -15.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.252 2.667 -14.923 1.00 0.00 H new ATOM 1140 N LEU A 72 0.490 -1.210 -11.853 1.00 0.00 N ATOM 1141 CA LEU A 72 1.945 -1.199 -11.978 1.00 0.00 C ATOM 1142 C LEU A 72 2.615 -2.568 -11.868 1.00 0.00 C ATOM 1143 O LEU A 72 3.542 -2.859 -12.624 1.00 0.00 O ATOM 1144 CB LEU A 72 2.515 -0.326 -10.870 1.00 0.00 C ATOM 1145 CG LEU A 72 3.005 1.056 -11.295 1.00 0.00 C ATOM 1146 CD1 LEU A 72 4.156 0.940 -12.285 1.00 0.00 C ATOM 1147 CD2 LEU A 72 1.866 1.873 -11.889 1.00 0.00 C ATOM 0 H LEU A 72 0.136 -1.384 -10.912 1.00 0.00 H new ATOM 0 HA LEU A 72 2.152 -0.826 -12.981 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.750 -0.199 -10.104 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.346 -0.858 -10.406 1.00 0.00 H new ATOM 0 HG LEU A 72 3.370 1.574 -10.408 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.489 1.937 -12.574 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.982 0.402 -11.821 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.822 0.398 -13.170 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.238 2.854 -12.185 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.466 1.358 -12.762 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.078 1.993 -11.146 1.00 0.00 H new ATOM 1159 N ASN A 73 2.165 -3.407 -10.944 1.00 0.00 N ATOM 1160 CA ASN A 73 2.811 -4.710 -10.768 1.00 0.00 C ATOM 1161 C ASN A 73 1.875 -5.912 -10.867 1.00 0.00 C ATOM 1162 O ASN A 73 2.143 -6.851 -11.617 1.00 0.00 O ATOM 1163 CB ASN A 73 3.529 -4.745 -9.419 1.00 0.00 C ATOM 1164 CG ASN A 73 4.561 -3.643 -9.283 1.00 0.00 C ATOM 1165 OD1 ASN A 73 5.161 -3.211 -10.267 1.00 0.00 O ATOM 1166 ND2 ASN A 73 4.773 -3.180 -8.057 1.00 0.00 N ATOM 0 H ASN A 73 1.380 -3.222 -10.320 1.00 0.00 H new ATOM 0 HA ASN A 73 3.508 -4.805 -11.600 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.796 -4.653 -8.618 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.016 -5.712 -9.295 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.455 -2.438 -7.903 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.254 -3.567 -7.269 1.00 0.00 H new ATOM 1173 N TYR A 74 0.781 -5.883 -10.118 1.00 0.00 N ATOM 1174 CA TYR A 74 -0.133 -7.031 -10.073 1.00 0.00 C ATOM 1175 C TYR A 74 -1.610 -6.649 -10.117 1.00 0.00 C ATOM 1176 O TYR A 74 -2.339 -6.876 -9.150 1.00 0.00 O ATOM 1177 CB TYR A 74 0.148 -7.880 -8.833 1.00 0.00 C ATOM 1178 CG TYR A 74 1.414 -8.703 -8.939 1.00 0.00 C ATOM 1179 CD1 TYR A 74 1.415 -9.931 -9.591 1.00 0.00 C ATOM 1180 CD2 TYR A 74 2.608 -8.253 -8.390 1.00 0.00 C ATOM 1181 CE1 TYR A 74 2.568 -10.686 -9.690 1.00 0.00 C ATOM 1182 CE2 TYR A 74 3.766 -9.003 -8.486 1.00 0.00 C ATOM 1183 CZ TYR A 74 3.740 -10.217 -9.137 1.00 0.00 C ATOM 1184 OH TYR A 74 4.891 -10.966 -9.235 1.00 0.00 O ATOM 0 H TYR A 74 0.502 -5.092 -9.538 1.00 0.00 H new ATOM 0 HA TYR A 74 0.061 -7.606 -10.979 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.221 -7.226 -7.964 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.696 -8.547 -8.660 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.499 -10.301 -10.027 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.632 -7.302 -7.880 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.551 -11.639 -10.198 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.686 -8.639 -8.053 1.00 0.00 H new ATOM 0 HH TYR A 74 5.628 -10.493 -8.794 1.00 0.00 H new ATOM 1194 N MET A 75 -2.048 -6.058 -11.223 1.00 0.00 N ATOM 1195 CA MET A 75 -3.448 -5.663 -11.369 1.00 0.00 C ATOM 1196 C MET A 75 -4.387 -6.824 -11.029 1.00 0.00 C ATOM 1197 O MET A 75 -5.559 -6.614 -10.717 1.00 0.00 O ATOM 1198 CB MET A 75 -3.713 -5.188 -12.799 1.00 0.00 C ATOM 1199 CG MET A 75 -5.127 -4.681 -13.025 1.00 0.00 C ATOM 1200 SD MET A 75 -5.469 -4.325 -14.759 1.00 0.00 S ATOM 1201 CE MET A 75 -5.387 -5.970 -15.465 1.00 0.00 C ATOM 0 H MET A 75 -1.460 -5.842 -12.028 1.00 0.00 H new ATOM 0 HA MET A 75 -3.643 -4.847 -10.673 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.009 -4.393 -13.044 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.518 -6.010 -13.487 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.837 -5.425 -12.664 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.284 -3.778 -12.435 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.256 -6.137 -16.101 1.00 0.00 H new ATOM 0 HE2 MET A 75 -4.478 -6.066 -16.059 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.376 -6.709 -14.664 1.00 0.00 H new ATOM 1211 N HIS A 76 -3.861 -8.045 -11.084 1.00 0.00 N ATOM 1212 CA HIS A 76 -4.650 -9.234 -10.776 1.00 0.00 C ATOM 1213 C HIS A 76 -4.761 -9.455 -9.267 1.00 0.00 C ATOM 1214 O HIS A 76 -5.856 -9.645 -8.737 1.00 0.00 O ATOM 1215 CB HIS A 76 -4.025 -10.469 -11.432 1.00 0.00 C ATOM 1216 CG HIS A 76 -4.018 -10.420 -12.929 1.00 0.00 C ATOM 1217 ND1 HIS A 76 -2.875 -10.300 -13.688 1.00 0.00 N ATOM 1218 CD2 HIS A 76 -5.048 -10.490 -13.810 1.00 0.00 C ATOM 1219 CE1 HIS A 76 -3.238 -10.301 -14.978 1.00 0.00 C ATOM 1220 NE2 HIS A 76 -4.545 -10.414 -15.107 1.00 0.00 N ATOM 0 H HIS A 76 -2.892 -8.237 -11.339 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.653 -9.078 -11.174 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -3.000 -10.578 -11.077 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -4.571 -11.356 -11.109 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -6.091 -10.589 -13.548 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -2.549 -10.220 -15.805 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.078 -10.440 -15.976 1.00 0.00 H new ATOM 1228 N ILE A 77 -3.619 -9.431 -8.582 1.00 0.00 N ATOM 1229 CA ILE A 77 -3.581 -9.643 -7.136 1.00 0.00 C ATOM 1230 C ILE A 77 -4.317 -8.539 -6.379 1.00 0.00 C ATOM 1231 O ILE A 77 -5.075 -8.815 -5.448 1.00 0.00 O ATOM 1232 CB ILE A 77 -2.126 -9.730 -6.622 1.00 0.00 C ATOM 1233 CG1 ILE A 77 -1.453 -10.996 -7.162 1.00 0.00 C ATOM 1234 CG2 ILE A 77 -2.088 -9.707 -5.098 1.00 0.00 C ATOM 1235 CD1 ILE A 77 -0.011 -11.156 -6.729 1.00 0.00 C ATOM 0 H ILE A 77 -2.706 -9.267 -9.006 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.087 -10.590 -6.948 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.577 -8.861 -6.984 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.020 -11.866 -6.832 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.496 -10.982 -8.251 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.054 -9.769 -4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.533 -8.780 -4.737 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.650 -10.555 -4.707 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.396 -12.075 -7.151 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.572 -10.305 -7.083 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.039 -11.203 -5.641 1.00 0.00 H new ATOM 1247 N ALA A 78 -4.087 -7.293 -6.780 1.00 0.00 N ATOM 1248 CA ALA A 78 -4.720 -6.150 -6.131 1.00 0.00 C ATOM 1249 C ALA A 78 -6.241 -6.286 -6.100 1.00 0.00 C ATOM 1250 O ALA A 78 -6.895 -5.796 -5.179 1.00 0.00 O ATOM 1251 CB ALA A 78 -4.320 -4.862 -6.831 1.00 0.00 C ATOM 0 H ALA A 78 -3.467 -7.049 -7.552 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.372 -6.121 -5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.799 -4.016 -6.338 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.237 -4.744 -6.785 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.637 -4.901 -7.873 1.00 0.00 H new ATOM 1257 N ASN A 79 -6.797 -6.950 -7.110 1.00 0.00 N ATOM 1258 CA ASN A 79 -8.243 -7.147 -7.196 1.00 0.00 C ATOM 1259 C ASN A 79 -8.795 -7.757 -5.911 1.00 0.00 C ATOM 1260 O ASN A 79 -9.932 -7.487 -5.523 1.00 0.00 O ATOM 1261 CB ASN A 79 -8.585 -8.044 -8.387 1.00 0.00 C ATOM 1262 CG ASN A 79 -8.218 -7.406 -9.712 1.00 0.00 C ATOM 1263 OD1 ASN A 79 -8.231 -6.182 -9.850 1.00 0.00 O ATOM 1264 ND2 ASN A 79 -7.888 -8.234 -10.696 1.00 0.00 N ATOM 0 H ASN A 79 -6.269 -7.361 -7.880 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.706 -6.170 -7.336 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -8.060 -8.994 -8.286 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -9.652 -8.267 -8.377 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.632 -7.863 -11.611 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.891 -9.242 -10.537 1.00 0.00 H new ATOM 1271 N ALA A 80 -7.990 -8.589 -5.260 1.00 0.00 N ATOM 1272 CA ALA A 80 -8.399 -9.232 -4.018 1.00 0.00 C ATOM 1273 C ALA A 80 -8.437 -8.236 -2.863 1.00 0.00 C ATOM 1274 O ALA A 80 -9.287 -8.329 -1.977 1.00 0.00 O ATOM 1275 CB ALA A 80 -7.465 -10.386 -3.692 1.00 0.00 C ATOM 0 H ALA A 80 -7.050 -8.834 -5.572 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.408 -9.620 -4.156 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.781 -10.858 -2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.495 -11.118 -4.499 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.448 -10.011 -3.581 1.00 0.00 H new ATOM 1281 N LEU A 81 -7.509 -7.281 -2.878 1.00 0.00 N ATOM 1282 CA LEU A 81 -7.425 -6.272 -1.826 1.00 0.00 C ATOM 1283 C LEU A 81 -8.563 -5.257 -1.918 1.00 0.00 C ATOM 1284 O LEU A 81 -9.201 -4.941 -0.913 1.00 0.00 O ATOM 1285 CB LEU A 81 -6.078 -5.547 -1.886 1.00 0.00 C ATOM 1286 CG LEU A 81 -4.854 -6.420 -1.597 1.00 0.00 C ATOM 1287 CD1 LEU A 81 -3.573 -5.630 -1.816 1.00 0.00 C ATOM 1288 CD2 LEU A 81 -4.909 -6.962 -0.175 1.00 0.00 C ATOM 0 H LEU A 81 -6.804 -7.185 -3.609 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.515 -6.792 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.964 -5.107 -2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.094 -4.724 -1.171 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.862 -7.263 -2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.713 -6.266 -1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.528 -5.289 -2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.558 -4.768 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.031 -7.580 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.926 -6.131 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.810 -7.563 -0.049 1.00 0.00 H new ATOM 1300 N GLU A 82 -8.810 -4.746 -3.121 1.00 0.00 N ATOM 1301 CA GLU A 82 -9.863 -3.755 -3.327 1.00 0.00 C ATOM 1302 C GLU A 82 -11.209 -4.259 -2.814 1.00 0.00 C ATOM 1303 O GLU A 82 -12.050 -3.472 -2.380 1.00 0.00 O ATOM 1304 CB GLU A 82 -9.977 -3.386 -4.809 1.00 0.00 C ATOM 1305 CG GLU A 82 -10.387 -4.545 -5.700 1.00 0.00 C ATOM 1306 CD GLU A 82 -10.573 -4.129 -7.146 1.00 0.00 C ATOM 1307 OE1 GLU A 82 -9.570 -4.106 -7.890 1.00 0.00 O ATOM 1308 OE2 GLU A 82 -11.720 -3.827 -7.535 1.00 0.00 O ATOM 0 H GLU A 82 -8.298 -5.000 -3.965 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.590 -2.866 -2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.704 -2.581 -4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.018 -2.998 -5.152 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.630 -5.327 -5.645 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.316 -4.975 -5.327 1.00 0.00 H new ATOM 1315 N GLU A 83 -11.408 -5.572 -2.864 1.00 0.00 N ATOM 1316 CA GLU A 83 -12.654 -6.172 -2.400 1.00 0.00 C ATOM 1317 C GLU A 83 -12.806 -6.007 -0.892 1.00 0.00 C ATOM 1318 O GLU A 83 -13.906 -5.773 -0.390 1.00 0.00 O ATOM 1319 CB GLU A 83 -12.703 -7.656 -2.773 1.00 0.00 C ATOM 1320 CG GLU A 83 -13.998 -8.342 -2.370 1.00 0.00 C ATOM 1321 CD GLU A 83 -13.987 -9.829 -2.666 1.00 0.00 C ATOM 1322 OE1 GLU A 83 -14.335 -10.212 -3.803 1.00 0.00 O ATOM 1323 OE2 GLU A 83 -13.630 -10.612 -1.760 1.00 0.00 O ATOM 0 H GLU A 83 -10.724 -6.240 -3.220 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.481 -5.657 -2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.569 -7.756 -3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.867 -8.169 -2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.170 -8.189 -1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.831 -7.877 -2.897 1.00 0.00 H new ATOM 1330 N LYS A 84 -11.693 -6.132 -0.175 1.00 0.00 N ATOM 1331 CA LYS A 84 -11.695 -5.997 1.277 1.00 0.00 C ATOM 1332 C LYS A 84 -12.157 -4.605 1.695 1.00 0.00 C ATOM 1333 O LYS A 84 -12.738 -4.431 2.767 1.00 0.00 O ATOM 1334 CB LYS A 84 -10.297 -6.271 1.838 1.00 0.00 C ATOM 1335 CG LYS A 84 -10.237 -6.277 3.359 1.00 0.00 C ATOM 1336 CD LYS A 84 -11.026 -7.436 3.951 1.00 0.00 C ATOM 1337 CE LYS A 84 -10.419 -8.778 3.573 1.00 0.00 C ATOM 1338 NZ LYS A 84 -8.985 -8.869 3.967 1.00 0.00 N ATOM 0 H LYS A 84 -10.776 -6.327 -0.578 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.393 -6.729 1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.949 -7.234 1.466 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.609 -5.515 1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -9.198 -6.342 3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.631 -5.336 3.742 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.053 -7.341 5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.057 -7.391 3.601 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -10.980 -9.579 4.055 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.510 -8.928 2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.682 -9.864 3.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.407 -8.317 3.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.864 -8.490 4.928 1.00 0.00 H new ATOM 1352 N LYS A 85 -11.889 -3.617 0.844 1.00 0.00 N ATOM 1353 CA LYS A 85 -12.275 -2.237 1.126 1.00 0.00 C ATOM 1354 C LYS A 85 -13.765 -2.139 1.445 1.00 0.00 C ATOM 1355 O LYS A 85 -14.176 -1.336 2.282 1.00 0.00 O ATOM 1356 CB LYS A 85 -11.937 -1.333 -0.062 1.00 0.00 C ATOM 1357 CG LYS A 85 -12.262 0.134 0.180 1.00 0.00 C ATOM 1358 CD LYS A 85 -11.852 1.004 -0.999 1.00 0.00 C ATOM 1359 CE LYS A 85 -12.650 0.669 -2.251 1.00 0.00 C ATOM 1360 NZ LYS A 85 -12.228 1.495 -3.416 1.00 0.00 N ATOM 0 H LYS A 85 -11.407 -3.746 -0.045 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.712 -1.904 1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.876 -1.429 -0.291 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.485 -1.679 -0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -13.331 0.245 0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.751 0.476 1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -11.998 2.054 -0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.789 0.869 -1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.524 -0.387 -2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -13.711 0.828 -2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.795 1.236 -4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.372 2.502 -3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.222 1.324 -3.616 1.00 0.00 H new ATOM 1374 N LYS A 86 -14.568 -2.960 0.773 1.00 0.00 N ATOM 1375 CA LYS A 86 -16.011 -2.965 0.990 1.00 0.00 C ATOM 1376 C LYS A 86 -16.336 -3.232 2.455 1.00 0.00 C ATOM 1377 O LYS A 86 -17.261 -2.643 3.015 1.00 0.00 O ATOM 1378 CB LYS A 86 -16.682 -4.020 0.107 1.00 0.00 C ATOM 1379 CG LYS A 86 -16.503 -3.773 -1.384 1.00 0.00 C ATOM 1380 CD LYS A 86 -17.242 -2.524 -1.838 1.00 0.00 C ATOM 1381 CE LYS A 86 -17.041 -2.268 -3.322 1.00 0.00 C ATOM 1382 NZ LYS A 86 -17.487 -3.423 -4.148 1.00 0.00 N ATOM 0 H LYS A 86 -14.244 -3.629 0.075 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.396 -1.982 0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.276 -5.001 0.355 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.747 -4.049 0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -15.442 -3.671 -1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.868 -4.635 -1.942 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.306 -2.632 -1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -16.890 -1.664 -1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.595 -1.376 -3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.987 -2.067 -3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.559 -3.131 -5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.798 -4.197 -4.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -18.417 -3.749 -3.815 1.00 0.00 H new ATOM 1396 N GLU A 87 -15.567 -4.125 3.071 1.00 0.00 N ATOM 1397 CA GLU A 87 -15.765 -4.473 4.472 1.00 0.00 C ATOM 1398 C GLU A 87 -15.217 -3.376 5.381 1.00 0.00 C ATOM 1399 O GLU A 87 -15.704 -3.174 6.492 1.00 0.00 O ATOM 1400 CB GLU A 87 -15.083 -5.806 4.786 1.00 0.00 C ATOM 1401 CG GLU A 87 -15.314 -6.293 6.207 1.00 0.00 C ATOM 1402 CD GLU A 87 -14.649 -7.629 6.478 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -13.477 -7.632 6.907 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -15.302 -8.671 6.259 1.00 0.00 O ATOM 0 H GLU A 87 -14.799 -4.621 2.619 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.835 -4.571 4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.445 -6.562 4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.011 -5.704 4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.932 -5.551 6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.385 -6.381 6.388 1.00 0.00 H new ATOM 1411 N ALA A 88 -14.198 -2.671 4.900 1.00 0.00 N ATOM 1412 CA ALA A 88 -13.585 -1.590 5.662 1.00 0.00 C ATOM 1413 C ALA A 88 -14.601 -0.493 5.961 1.00 0.00 C ATOM 1414 O ALA A 88 -14.492 0.211 6.965 1.00 0.00 O ATOM 1415 CB ALA A 88 -12.396 -1.019 4.903 1.00 0.00 C ATOM 0 H ALA A 88 -13.779 -2.830 3.984 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.234 -1.996 6.611 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.947 -0.213 5.483 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.657 -1.804 4.741 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.731 -0.631 3.941 1.00 0.00 H new ATOM 1421 N GLU A 89 -15.586 -0.355 5.079 1.00 0.00 N ATOM 1422 CA GLU A 89 -16.626 0.655 5.236 1.00 0.00 C ATOM 1423 C GLU A 89 -17.352 0.502 6.571 1.00 0.00 C ATOM 1424 O GLU A 89 -17.438 1.450 7.351 1.00 0.00 O ATOM 1425 CB GLU A 89 -17.631 0.565 4.087 1.00 0.00 C ATOM 1426 CG GLU A 89 -16.998 0.714 2.712 1.00 0.00 C ATOM 1427 CD GLU A 89 -16.287 2.041 2.539 1.00 0.00 C ATOM 1428 OE1 GLU A 89 -15.083 2.114 2.862 1.00 0.00 O ATOM 1429 OE2 GLU A 89 -16.933 3.006 2.081 1.00 0.00 O ATOM 0 H GLU A 89 -15.685 -0.933 4.245 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.145 1.633 5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.145 -0.395 4.139 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.388 1.339 4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -16.288 -0.098 2.553 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -17.770 0.617 1.948 1.00 0.00 H new ATOM 1436 N ARG A 90 -17.876 -0.693 6.827 1.00 0.00 N ATOM 1437 CA ARG A 90 -18.598 -0.959 8.067 1.00 0.00 C ATOM 1438 C ARG A 90 -17.654 -0.945 9.266 1.00 0.00 C ATOM 1439 O ARG A 90 -18.085 -0.750 10.402 1.00 0.00 O ATOM 1440 CB ARG A 90 -19.327 -2.302 7.988 1.00 0.00 C ATOM 1441 CG ARG A 90 -18.411 -3.483 7.718 1.00 0.00 C ATOM 1442 CD ARG A 90 -19.174 -4.797 7.763 1.00 0.00 C ATOM 1443 NE ARG A 90 -19.760 -5.042 9.078 1.00 0.00 N ATOM 1444 CZ ARG A 90 -20.506 -6.102 9.369 1.00 0.00 C ATOM 1445 NH1 ARG A 90 -20.767 -7.010 8.437 1.00 0.00 N ATOM 1446 NH2 ARG A 90 -20.994 -6.255 10.592 1.00 0.00 N ATOM 0 H ARG A 90 -17.815 -1.491 6.194 1.00 0.00 H new ATOM 0 HA ARG A 90 -19.334 -0.166 8.201 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -19.857 -2.472 8.925 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -20.079 -2.250 7.201 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.942 -3.366 6.741 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -17.609 -3.500 8.456 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -19.963 -4.785 7.011 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -18.502 -5.616 7.507 1.00 0.00 H new ATOM 0 HE ARG A 90 -19.586 -4.360 9.816 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -20.395 -6.895 7.494 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -21.340 -7.823 8.663 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -20.797 -5.558 11.311 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -21.567 -7.069 10.814 1.00 0.00 H new ATOM 1460 N LYS A 91 -16.365 -1.155 9.009 1.00 0.00 N ATOM 1461 CA LYS A 91 -15.366 -1.159 10.074 1.00 0.00 C ATOM 1462 C LYS A 91 -15.158 0.246 10.628 1.00 0.00 C ATOM 1463 O LYS A 91 -15.150 0.452 11.841 1.00 0.00 O ATOM 1464 CB LYS A 91 -14.036 -1.718 9.563 1.00 0.00 C ATOM 1465 CG LYS A 91 -14.058 -3.220 9.324 1.00 0.00 C ATOM 1466 CD LYS A 91 -12.700 -3.735 8.868 1.00 0.00 C ATOM 1467 CE LYS A 91 -11.659 -3.626 9.972 1.00 0.00 C ATOM 1468 NZ LYS A 91 -12.013 -4.457 11.157 1.00 0.00 N ATOM 0 H LYS A 91 -15.989 -1.324 8.076 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.734 -1.799 10.876 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.773 -1.214 8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -13.252 -1.485 10.284 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.352 -3.731 10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.810 -3.458 8.571 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.791 -4.775 8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.369 -3.168 7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.688 -3.938 9.587 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.561 -2.584 10.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.175 -4.574 11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.767 -3.987 11.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.344 -5.390 10.840 1.00 0.00 H new ATOM 1482 N LEU A 92 -14.989 1.210 9.729 1.00 0.00 N ATOM 1483 CA LEU A 92 -14.779 2.597 10.127 1.00 0.00 C ATOM 1484 C LEU A 92 -16.107 3.281 10.436 1.00 0.00 C ATOM 1485 O LEU A 92 -16.152 4.486 10.685 1.00 0.00 O ATOM 1486 CB LEU A 92 -14.037 3.359 9.027 1.00 0.00 C ATOM 1487 CG LEU A 92 -12.619 2.863 8.737 1.00 0.00 C ATOM 1488 CD1 LEU A 92 -12.050 3.563 7.513 1.00 0.00 C ATOM 1489 CD2 LEU A 92 -11.717 3.083 9.944 1.00 0.00 C ATOM 0 H LEU A 92 -14.993 1.056 8.721 1.00 0.00 H new ATOM 0 HA LEU A 92 -14.172 2.602 11.032 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.621 3.300 8.108 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.987 4.412 9.306 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.665 1.793 8.533 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.041 3.198 7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.681 3.355 6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.019 4.638 7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.713 2.724 9.718 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.678 4.146 10.180 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.114 2.536 10.799 1.00 0.00 H new ATOM 1501 N MET A 93 -17.187 2.504 10.417 1.00 0.00 N ATOM 1502 CA MET A 93 -18.515 3.034 10.701 1.00 0.00 C ATOM 1503 C MET A 93 -18.695 3.260 12.198 1.00 0.00 C ATOM 1504 O MET A 93 -19.350 4.214 12.618 1.00 0.00 O ATOM 1505 CB MET A 93 -19.592 2.078 10.184 1.00 0.00 C ATOM 1506 CG MET A 93 -21.006 2.619 10.326 1.00 0.00 C ATOM 1507 SD MET A 93 -22.254 1.485 9.687 1.00 0.00 S ATOM 1508 CE MET A 93 -21.798 1.414 7.956 1.00 0.00 C ATOM 0 H MET A 93 -17.167 1.506 10.208 1.00 0.00 H new ATOM 0 HA MET A 93 -18.616 3.991 10.189 1.00 0.00 H new ATOM 0 HB2 MET A 93 -19.399 1.861 9.133 1.00 0.00 H new ATOM 0 HB3 MET A 93 -19.517 1.134 10.724 1.00 0.00 H new ATOM 0 HG2 MET A 93 -21.209 2.821 11.378 1.00 0.00 H new ATOM 0 HG3 MET A 93 -21.081 3.570 9.799 1.00 0.00 H new ATOM 0 HE1 MET A 93 -22.672 1.625 7.340 1.00 0.00 H new ATOM 0 HE2 MET A 93 -21.024 2.154 7.753 1.00 0.00 H new ATOM 0 HE3 MET A 93 -21.420 0.419 7.720 1.00 0.00 H new ATOM 1518 N THR A 94 -18.107 2.374 12.997 1.00 0.00 N ATOM 1519 CA THR A 94 -18.199 2.469 14.448 1.00 0.00 C ATOM 1520 C THR A 94 -17.431 3.681 14.967 1.00 0.00 C ATOM 1521 O THR A 94 -16.554 4.211 14.284 1.00 0.00 O ATOM 1522 CB THR A 94 -17.653 1.200 15.127 1.00 0.00 C ATOM 1523 OG1 THR A 94 -16.268 1.028 14.803 1.00 0.00 O ATOM 1524 CG2 THR A 94 -18.436 -0.027 14.689 1.00 0.00 C ATOM 0 H THR A 94 -17.561 1.581 12.662 1.00 0.00 H new ATOM 0 HA THR A 94 -19.255 2.578 14.694 1.00 0.00 H new ATOM 0 HB THR A 94 -17.762 1.316 16.205 1.00 0.00 H new ATOM 0 HG1 THR A 94 -16.180 0.800 13.854 1.00 0.00 H new ATOM 0 HG21 THR A 94 -18.032 -0.911 15.182 1.00 0.00 H new ATOM 0 HG22 THR A 94 -19.484 0.094 14.962 1.00 0.00 H new ATOM 0 HG23 THR A 94 -18.354 -0.144 13.608 1.00 0.00 H new ATOM 1532 N ASN A 95 -17.766 4.111 16.180 1.00 0.00 N ATOM 1533 CA ASN A 95 -17.109 5.262 16.791 1.00 0.00 C ATOM 1534 C ASN A 95 -16.589 4.920 18.186 1.00 0.00 C ATOM 1535 O ASN A 95 -15.390 4.591 18.304 1.00 0.00 O ATOM 1536 CB ASN A 95 -18.073 6.451 16.859 1.00 0.00 C ATOM 1537 CG ASN A 95 -19.362 6.124 17.589 1.00 0.00 C ATOM 1538 OD1 ASN A 95 -19.835 4.987 17.565 1.00 0.00 O ATOM 1539 ND2 ASN A 95 -19.940 7.124 18.245 1.00 0.00 N ATOM 1540 OXT ASN A 95 -17.382 4.985 19.149 1.00 0.00 O ATOM 0 H ASN A 95 -18.487 3.681 16.758 1.00 0.00 H new ATOM 0 HA ASN A 95 -16.256 5.535 16.169 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -17.579 7.284 17.359 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -18.308 6.780 15.847 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -20.809 6.965 18.755 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -19.515 8.051 18.239 1.00 0.00 H new TER 1547 ASN A 95