USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 757 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 51 TYR OH : rot 180:sc= -0.173 USER MOD Set 1.2: A 55 GLN : amide:sc= -4.35! C(o=-4.5!,f=-0.78!) USER MOD Set 2.1: A 25 GLN : amide:sc= -1.21 K(o=-2.5,f=-5.4) USER MOD Set 2.2: A 37 MET CE :methyl 148:sc= -1.26 (180deg=-0.0779) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -3.98 K(o=-4,f=-6.4!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 170:sc= -1.18 USER MOD Single : A 23 ASN : amide:sc= -4.08 K(o=-4.1,f=-8.8!) USER MOD Single : A 24 GLN : amide:sc= -0.0096 X(o=-0.0096,f=-0.0076) USER MOD Single : A 28 ASN : amide:sc= -1.06 X(o=-1.1,f=-0.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00136 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -95:sc= -0.0139 (180deg=-0.79) USER MOD Single : A 46 ASN : amide:sc= -0.389 K(o=-0.39,f=-2.9!) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0628 USER MOD Single : A 50 ASN : amide:sc= -0.0448 K(o=-0.045,f=-0.64) USER MOD Single : A 52 TYR OH : rot 92:sc= -1.36! USER MOD Single : A 54 GLN : amide:sc= 0.192 X(o=0.19,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 75 ASN : amide:sc= -1.79 K(o=-1.8,f=-7.3!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0657 X(o=-0.066,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 30:sc= -3.4! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 108:sc= 1.14 USER MOD Single : A 92 HIS : no HE2:sc= -3.29 K(o=-3.3,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 3 9.316 28.877 1.146 1.00 0.00 N ATOM 2 CA LEU A 3 8.031 29.561 0.842 1.00 0.00 C ATOM 3 C LEU A 3 6.922 28.553 0.569 1.00 0.00 C ATOM 4 O LEU A 3 5.871 28.578 1.210 1.00 0.00 O ATOM 5 CB LEU A 3 8.235 30.464 -0.375 1.00 0.00 C ATOM 6 CG LEU A 3 8.859 31.827 -0.070 1.00 0.00 C ATOM 7 CD1 LEU A 3 10.373 31.762 -0.198 1.00 0.00 C ATOM 8 CD2 LEU A 3 8.289 32.891 -0.997 1.00 0.00 C ATOM 0 HA LEU A 3 7.729 30.155 1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.869 29.943 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.270 30.622 -0.857 1.00 0.00 H new ATOM 0 HG LEU A 3 8.614 32.097 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.799 32.741 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.766 31.028 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.640 31.471 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.743 33.855 -0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.505 32.626 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.210 32.956 -0.857 1.00 0.00 H new ATOM 22 N LEU A 4 7.167 27.667 -0.385 1.00 0.00 N ATOM 23 CA LEU A 4 6.194 26.643 -0.749 1.00 0.00 C ATOM 24 C LEU A 4 6.810 25.246 -0.692 1.00 0.00 C ATOM 25 O LEU A 4 6.235 24.286 -1.203 1.00 0.00 O ATOM 26 CB LEU A 4 5.644 26.912 -2.150 1.00 0.00 C ATOM 27 CG LEU A 4 6.703 27.068 -3.243 1.00 0.00 C ATOM 28 CD1 LEU A 4 6.992 25.728 -3.901 1.00 0.00 C ATOM 29 CD2 LEU A 4 6.252 28.086 -4.280 1.00 0.00 C ATOM 0 H LEU A 4 8.033 27.635 -0.923 1.00 0.00 H new ATOM 0 HA LEU A 4 5.379 26.685 -0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.978 26.094 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.040 27.819 -2.119 1.00 0.00 H new ATOM 0 HG LEU A 4 7.622 27.430 -2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.747 25.859 -4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.358 25.026 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.078 25.337 -4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.017 28.184 -5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.320 27.753 -4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.096 29.051 -3.798 1.00 0.00 H new ATOM 41 N LYS A 5 7.980 25.137 -0.069 1.00 0.00 N ATOM 42 CA LYS A 5 8.664 23.856 0.050 1.00 0.00 C ATOM 43 C LYS A 5 8.030 22.997 1.139 1.00 0.00 C ATOM 44 O LYS A 5 8.092 21.769 1.089 1.00 0.00 O ATOM 45 CB LYS A 5 10.148 24.073 0.357 1.00 0.00 C ATOM 46 CG LYS A 5 10.945 22.781 0.455 1.00 0.00 C ATOM 47 CD LYS A 5 11.059 22.300 1.893 1.00 0.00 C ATOM 48 CE LYS A 5 11.896 23.247 2.738 1.00 0.00 C ATOM 49 NZ LYS A 5 11.131 23.778 3.901 1.00 0.00 N ATOM 0 H LYS A 5 8.473 25.920 0.360 1.00 0.00 H new ATOM 0 HA LYS A 5 8.568 23.333 -0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.583 24.700 -0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.240 24.619 1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.466 22.011 -0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.942 22.936 0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.063 22.209 2.326 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.506 21.306 1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.784 22.726 3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.240 24.077 2.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.737 24.419 4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.297 24.297 3.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.824 22.988 4.504 1.00 0.00 H new ATOM 63 N ALA A 6 7.425 23.651 2.126 1.00 0.00 N ATOM 64 CA ALA A 6 6.786 22.946 3.230 1.00 0.00 C ATOM 65 C ALA A 6 5.694 22.006 2.733 1.00 0.00 C ATOM 66 O ALA A 6 5.644 20.839 3.121 1.00 0.00 O ATOM 67 CB ALA A 6 6.214 23.940 4.229 1.00 0.00 C ATOM 0 H ALA A 6 7.364 24.668 2.183 1.00 0.00 H new ATOM 0 HA ALA A 6 7.546 22.341 3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.740 23.400 5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.017 24.564 4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.475 24.570 3.733 1.00 0.00 H new ATOM 73 N ASN A 7 4.825 22.516 1.867 1.00 0.00 N ATOM 74 CA ASN A 7 3.744 21.708 1.320 1.00 0.00 C ATOM 75 C ASN A 7 4.309 20.550 0.509 1.00 0.00 C ATOM 76 O ASN A 7 3.956 19.390 0.732 1.00 0.00 O ATOM 77 CB ASN A 7 2.822 22.562 0.448 1.00 0.00 C ATOM 78 CG ASN A 7 3.587 23.447 -0.516 1.00 0.00 C ATOM 79 OD1 ASN A 7 4.137 22.972 -1.510 1.00 0.00 O ATOM 80 ND2 ASN A 7 3.629 24.741 -0.223 1.00 0.00 N ATOM 0 H ASN A 7 4.848 23.479 1.531 1.00 0.00 H new ATOM 0 HA ASN A 7 3.162 21.306 2.149 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.154 21.910 -0.115 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.196 23.184 1.088 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.132 25.386 -0.833 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.158 25.090 0.612 1.00 0.00 H new ATOM 87 N LYS A 8 5.195 20.869 -0.430 1.00 0.00 N ATOM 88 CA LYS A 8 5.816 19.857 -1.272 1.00 0.00 C ATOM 89 C LYS A 8 6.580 18.841 -0.432 1.00 0.00 C ATOM 90 O LYS A 8 6.732 17.686 -0.826 1.00 0.00 O ATOM 91 CB LYS A 8 6.758 20.515 -2.281 1.00 0.00 C ATOM 92 CG LYS A 8 7.328 19.548 -3.305 1.00 0.00 C ATOM 93 CD LYS A 8 6.481 19.512 -4.568 1.00 0.00 C ATOM 94 CE LYS A 8 6.721 20.738 -5.435 1.00 0.00 C ATOM 95 NZ LYS A 8 5.453 21.278 -5.997 1.00 0.00 N ATOM 0 H LYS A 8 5.498 21.823 -0.626 1.00 0.00 H new ATOM 0 HA LYS A 8 5.026 19.332 -1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.221 21.308 -2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.580 20.987 -1.743 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.347 19.842 -3.557 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.382 18.549 -2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.713 18.612 -5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.426 19.456 -4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.214 21.510 -4.844 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.398 20.480 -6.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.660 22.113 -6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.995 20.550 -6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.817 21.549 -5.220 1.00 0.00 H new ATOM 109 N ASP A 9 7.067 19.273 0.729 1.00 0.00 N ATOM 110 CA ASP A 9 7.811 18.379 1.605 1.00 0.00 C ATOM 111 C ASP A 9 6.878 17.361 2.244 1.00 0.00 C ATOM 112 O ASP A 9 7.181 16.168 2.282 1.00 0.00 O ATOM 113 CB ASP A 9 8.550 19.171 2.685 1.00 0.00 C ATOM 114 CG ASP A 9 9.716 18.399 3.271 1.00 0.00 C ATOM 115 OD1 ASP A 9 9.471 17.392 3.967 1.00 0.00 O ATOM 116 OD2 ASP A 9 10.874 18.803 3.034 1.00 0.00 O ATOM 0 H ASP A 9 6.961 20.225 1.080 1.00 0.00 H new ATOM 0 HA ASP A 9 8.548 17.847 1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.914 20.107 2.261 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.853 19.432 3.482 1.00 0.00 H new ATOM 121 N LEU A 10 5.735 17.829 2.735 1.00 0.00 N ATOM 122 CA LEU A 10 4.762 16.943 3.355 1.00 0.00 C ATOM 123 C LEU A 10 4.304 15.894 2.355 1.00 0.00 C ATOM 124 O LEU A 10 4.259 14.702 2.667 1.00 0.00 O ATOM 125 CB LEU A 10 3.566 17.739 3.880 1.00 0.00 C ATOM 126 CG LEU A 10 3.093 17.344 5.280 1.00 0.00 C ATOM 127 CD1 LEU A 10 2.739 15.866 5.326 1.00 0.00 C ATOM 128 CD2 LEU A 10 4.160 17.672 6.313 1.00 0.00 C ATOM 0 H LEU A 10 5.463 18.812 2.715 1.00 0.00 H new ATOM 0 HA LEU A 10 5.235 16.442 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.827 18.797 3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.735 17.619 3.185 1.00 0.00 H new ATOM 0 HG LEU A 10 2.197 17.918 5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.405 15.603 6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.941 15.661 4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.617 15.273 5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.808 17.385 7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.073 17.124 6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.365 18.742 6.297 1.00 0.00 H new ATOM 140 N ILE A 11 3.978 16.336 1.143 1.00 0.00 N ATOM 141 CA ILE A 11 3.545 15.411 0.112 1.00 0.00 C ATOM 142 C ILE A 11 4.664 14.419 -0.197 1.00 0.00 C ATOM 143 O ILE A 11 4.452 13.208 -0.155 1.00 0.00 O ATOM 144 CB ILE A 11 3.067 16.147 -1.172 1.00 0.00 C ATOM 145 CG1 ILE A 11 1.926 15.369 -1.826 1.00 0.00 C ATOM 146 CG2 ILE A 11 4.196 16.367 -2.173 1.00 0.00 C ATOM 147 CD1 ILE A 11 1.114 16.194 -2.801 1.00 0.00 C ATOM 0 H ILE A 11 4.006 17.315 0.858 1.00 0.00 H new ATOM 0 HA ILE A 11 2.683 14.862 0.490 1.00 0.00 H new ATOM 0 HB ILE A 11 2.713 17.132 -0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.338 14.505 -2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.265 14.986 -1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.808 16.884 -3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.978 16.970 -1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.609 15.404 -2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.322 15.578 -3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.673 17.043 -2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.762 16.555 -3.600 1.00 0.00 H new ATOM 159 N SER A 12 5.855 14.931 -0.513 1.00 0.00 N ATOM 160 CA SER A 12 6.992 14.078 -0.831 1.00 0.00 C ATOM 161 C SER A 12 7.306 13.116 0.312 1.00 0.00 C ATOM 162 O SER A 12 7.762 12.001 0.082 1.00 0.00 O ATOM 163 CB SER A 12 8.221 14.935 -1.140 1.00 0.00 C ATOM 164 OG SER A 12 9.228 14.172 -1.783 1.00 0.00 O ATOM 0 H SER A 12 6.053 15.931 -0.554 1.00 0.00 H new ATOM 0 HA SER A 12 6.730 13.487 -1.708 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.933 15.772 -1.776 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.615 15.357 -0.216 1.00 0.00 H new ATOM 0 HG SER A 12 10.002 14.743 -1.971 1.00 0.00 H new ATOM 170 N ALA A 13 7.076 13.561 1.543 1.00 0.00 N ATOM 171 CA ALA A 13 7.353 12.725 2.708 1.00 0.00 C ATOM 172 C ALA A 13 6.409 11.534 2.770 1.00 0.00 C ATOM 173 O ALA A 13 6.841 10.400 2.978 1.00 0.00 O ATOM 174 CB ALA A 13 7.284 13.540 3.990 1.00 0.00 C ATOM 0 H ALA A 13 6.703 14.485 1.760 1.00 0.00 H new ATOM 0 HA ALA A 13 8.367 12.339 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.494 12.895 4.843 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.021 14.342 3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.287 13.968 4.096 1.00 0.00 H new ATOM 180 N GLY A 14 5.131 11.785 2.528 1.00 0.00 N ATOM 181 CA GLY A 14 4.173 10.697 2.504 1.00 0.00 C ATOM 182 C GLY A 14 4.391 9.868 1.257 1.00 0.00 C ATOM 183 O GLY A 14 4.232 8.648 1.256 1.00 0.00 O ATOM 0 H GLY A 14 4.742 12.711 2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.288 10.076 3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.157 11.091 2.520 1.00 0.00 H new ATOM 187 N LEU A 15 4.792 10.570 0.202 1.00 0.00 N ATOM 188 CA LEU A 15 5.084 9.946 -1.076 1.00 0.00 C ATOM 189 C LEU A 15 6.177 8.906 -0.895 1.00 0.00 C ATOM 190 O LEU A 15 5.965 7.723 -1.141 1.00 0.00 O ATOM 191 CB LEU A 15 5.498 10.991 -2.107 1.00 0.00 C ATOM 192 CG LEU A 15 4.437 11.324 -3.157 1.00 0.00 C ATOM 193 CD1 LEU A 15 4.189 10.130 -4.065 1.00 0.00 C ATOM 194 CD2 LEU A 15 3.146 11.765 -2.486 1.00 0.00 C ATOM 0 H LEU A 15 4.922 11.582 0.212 1.00 0.00 H new ATOM 0 HA LEU A 15 4.183 9.455 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.769 11.908 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.394 10.639 -2.618 1.00 0.00 H new ATOM 0 HG LEU A 15 4.805 12.147 -3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.431 10.387 -4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.115 9.860 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.843 9.286 -3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.402 11.998 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.774 10.962 -1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.335 12.651 -1.880 1.00 0.00 H new ATOM 206 N LYS A 16 7.347 9.354 -0.454 1.00 0.00 N ATOM 207 CA LYS A 16 8.471 8.452 -0.231 1.00 0.00 C ATOM 208 C LYS A 16 8.079 7.363 0.762 1.00 0.00 C ATOM 209 O LYS A 16 8.497 6.212 0.644 1.00 0.00 O ATOM 210 CB LYS A 16 9.678 9.238 0.291 1.00 0.00 C ATOM 211 CG LYS A 16 10.838 8.361 0.732 1.00 0.00 C ATOM 212 CD LYS A 16 11.627 7.841 -0.460 1.00 0.00 C ATOM 213 CE LYS A 16 13.036 8.411 -0.490 1.00 0.00 C ATOM 214 NZ LYS A 16 13.965 7.647 0.387 1.00 0.00 N ATOM 0 H LYS A 16 7.542 10.333 -0.244 1.00 0.00 H new ATOM 0 HA LYS A 16 8.741 7.982 -1.176 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.024 9.916 -0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.362 9.855 1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.498 8.930 1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.460 7.521 1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.675 6.753 -0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.108 8.102 -1.382 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.411 8.398 -1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.012 9.453 -0.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.915 8.068 0.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.622 7.680 1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.008 6.658 0.069 1.00 0.00 H new ATOM 228 N GLU A 17 7.259 7.746 1.729 1.00 0.00 N ATOM 229 CA GLU A 17 6.784 6.815 2.744 1.00 0.00 C ATOM 230 C GLU A 17 5.986 5.685 2.102 1.00 0.00 C ATOM 231 O GLU A 17 6.211 4.507 2.383 1.00 0.00 O ATOM 232 CB GLU A 17 5.921 7.544 3.777 1.00 0.00 C ATOM 233 CG GLU A 17 6.565 7.634 5.150 1.00 0.00 C ATOM 234 CD GLU A 17 6.429 6.349 5.942 1.00 0.00 C ATOM 235 OE1 GLU A 17 7.267 5.442 5.752 1.00 0.00 O ATOM 236 OE2 GLU A 17 5.485 6.249 6.754 1.00 0.00 O ATOM 0 H GLU A 17 6.907 8.698 1.833 1.00 0.00 H new ATOM 0 HA GLU A 17 7.651 6.389 3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.710 8.551 3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.964 7.030 3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.622 7.877 5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.108 8.451 5.709 1.00 0.00 H new ATOM 243 N PHE A 18 5.053 6.056 1.235 1.00 0.00 N ATOM 244 CA PHE A 18 4.216 5.078 0.549 1.00 0.00 C ATOM 245 C PHE A 18 5.028 4.293 -0.477 1.00 0.00 C ATOM 246 O PHE A 18 4.956 3.068 -0.527 1.00 0.00 O ATOM 247 CB PHE A 18 3.032 5.778 -0.129 1.00 0.00 C ATOM 248 CG PHE A 18 1.758 4.972 -0.149 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.453 4.080 0.871 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.856 5.117 -1.193 1.00 0.00 C ATOM 251 CE1 PHE A 18 0.279 3.349 0.846 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.319 4.389 -1.222 1.00 0.00 C ATOM 253 CZ PHE A 18 -0.607 3.504 -0.202 1.00 0.00 C ATOM 0 H PHE A 18 4.856 7.026 0.990 1.00 0.00 H new ATOM 0 HA PHE A 18 3.833 4.375 1.289 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.842 6.721 0.383 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.309 6.022 -1.155 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.141 3.956 1.694 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.075 5.808 -1.994 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.055 2.658 1.645 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.011 4.512 -2.042 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.524 2.934 -0.224 1.00 0.00 H new ATOM 263 N SER A 19 5.809 5.002 -1.285 1.00 0.00 N ATOM 264 CA SER A 19 6.635 4.362 -2.302 1.00 0.00 C ATOM 265 C SER A 19 7.545 3.312 -1.675 1.00 0.00 C ATOM 266 O SER A 19 7.613 2.174 -2.143 1.00 0.00 O ATOM 267 CB SER A 19 7.473 5.406 -3.042 1.00 0.00 C ATOM 268 OG SER A 19 8.414 6.014 -2.174 1.00 0.00 O ATOM 0 H SER A 19 5.887 6.019 -1.255 1.00 0.00 H new ATOM 0 HA SER A 19 5.975 3.868 -3.015 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.994 4.934 -3.875 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.819 6.168 -3.465 1.00 0.00 H new ATOM 0 HG SER A 19 9.041 6.555 -2.698 1.00 0.00 H new ATOM 274 N VAL A 20 8.236 3.696 -0.607 1.00 0.00 N ATOM 275 CA VAL A 20 9.132 2.783 0.085 1.00 0.00 C ATOM 276 C VAL A 20 8.342 1.677 0.776 1.00 0.00 C ATOM 277 O VAL A 20 8.817 0.551 0.902 1.00 0.00 O ATOM 278 CB VAL A 20 9.999 3.516 1.128 1.00 0.00 C ATOM 279 CG1 VAL A 20 10.978 2.555 1.787 1.00 0.00 C ATOM 280 CG2 VAL A 20 10.738 4.676 0.481 1.00 0.00 C ATOM 0 H VAL A 20 8.192 4.632 -0.204 1.00 0.00 H new ATOM 0 HA VAL A 20 9.790 2.348 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 20 9.343 3.914 1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.579 3.094 2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.426 1.759 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.631 2.123 1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.346 5.183 1.230 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.382 4.299 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.017 5.378 0.062 1.00 0.00 H new ATOM 290 N LEU A 21 7.131 2.003 1.218 1.00 0.00 N ATOM 291 CA LEU A 21 6.282 1.028 1.889 1.00 0.00 C ATOM 292 C LEU A 21 5.862 -0.080 0.926 1.00 0.00 C ATOM 293 O LEU A 21 5.911 -1.261 1.266 1.00 0.00 O ATOM 294 CB LEU A 21 5.041 1.718 2.464 1.00 0.00 C ATOM 295 CG LEU A 21 4.004 0.783 3.088 1.00 0.00 C ATOM 296 CD1 LEU A 21 4.309 0.553 4.559 1.00 0.00 C ATOM 297 CD2 LEU A 21 2.603 1.348 2.914 1.00 0.00 C ATOM 0 H LEU A 21 6.718 2.931 1.124 1.00 0.00 H new ATOM 0 HA LEU A 21 6.853 0.580 2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.361 2.435 3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.561 2.287 1.668 1.00 0.00 H new ATOM 0 HG LEU A 21 4.053 -0.177 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.560 -0.115 4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.297 0.103 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.289 1.506 5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.878 0.669 3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.540 2.321 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.385 1.459 1.852 1.00 0.00 H new ATOM 309 N LEU A 22 5.442 0.311 -0.273 1.00 0.00 N ATOM 310 CA LEU A 22 5.003 -0.650 -1.281 1.00 0.00 C ATOM 311 C LEU A 22 6.174 -1.485 -1.796 1.00 0.00 C ATOM 312 O LEU A 22 6.031 -2.683 -2.034 1.00 0.00 O ATOM 313 CB LEU A 22 4.318 0.069 -2.446 1.00 0.00 C ATOM 314 CG LEU A 22 3.274 1.109 -2.037 1.00 0.00 C ATOM 315 CD1 LEU A 22 3.065 2.125 -3.148 1.00 0.00 C ATOM 316 CD2 LEU A 22 1.962 0.432 -1.675 1.00 0.00 C ATOM 0 H LEU A 22 5.396 1.285 -0.571 1.00 0.00 H new ATOM 0 HA LEU A 22 4.286 -1.322 -0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.081 0.560 -3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.838 -0.675 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 22 3.642 1.638 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.319 2.856 -2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.006 2.634 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.720 1.615 -4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.231 1.187 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.590 -0.124 -2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.124 -0.253 -0.843 1.00 0.00 H new ATOM 328 N ASN A 23 7.327 -0.846 -1.968 1.00 0.00 N ATOM 329 CA ASN A 23 8.514 -1.539 -2.459 1.00 0.00 C ATOM 330 C ASN A 23 9.232 -2.273 -1.325 1.00 0.00 C ATOM 331 O ASN A 23 9.910 -3.275 -1.552 1.00 0.00 O ATOM 332 CB ASN A 23 9.458 -0.543 -3.152 1.00 0.00 C ATOM 333 CG ASN A 23 10.561 -0.020 -2.245 1.00 0.00 C ATOM 334 OD1 ASN A 23 10.335 0.245 -1.065 1.00 0.00 O ATOM 335 ND2 ASN A 23 11.760 0.131 -2.795 1.00 0.00 N ATOM 0 H ASN A 23 7.465 0.146 -1.776 1.00 0.00 H new ATOM 0 HA ASN A 23 8.200 -2.286 -3.188 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.910 -1.026 -4.019 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.875 0.299 -3.524 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.538 0.479 -2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.903 -0.101 -3.778 1.00 0.00 H new ATOM 342 N GLN A 24 9.077 -1.764 -0.108 1.00 0.00 N ATOM 343 CA GLN A 24 9.709 -2.360 1.065 1.00 0.00 C ATOM 344 C GLN A 24 8.668 -2.970 2.000 1.00 0.00 C ATOM 345 O GLN A 24 8.923 -3.144 3.191 1.00 0.00 O ATOM 346 CB GLN A 24 10.534 -1.316 1.818 1.00 0.00 C ATOM 347 CG GLN A 24 11.832 -1.863 2.390 1.00 0.00 C ATOM 348 CD GLN A 24 11.798 -1.988 3.901 1.00 0.00 C ATOM 349 OE1 GLN A 24 11.849 -3.091 4.445 1.00 0.00 O ATOM 350 NE2 GLN A 24 11.710 -0.855 4.587 1.00 0.00 N ATOM 0 H GLN A 24 8.516 -0.936 0.093 1.00 0.00 H new ATOM 0 HA GLN A 24 10.370 -3.154 0.719 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.763 -0.491 1.144 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.933 -0.907 2.630 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.033 -2.841 1.953 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.655 -1.209 2.102 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.670 0.037 4.095 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.682 -0.877 5.606 1.00 0.00 H new ATOM 359 N GLN A 25 7.492 -3.274 1.458 1.00 0.00 N ATOM 360 CA GLN A 25 6.400 -3.848 2.244 1.00 0.00 C ATOM 361 C GLN A 25 6.726 -5.260 2.756 1.00 0.00 C ATOM 362 O GLN A 25 5.841 -6.110 2.811 1.00 0.00 O ATOM 363 CB GLN A 25 5.119 -3.879 1.404 1.00 0.00 C ATOM 364 CG GLN A 25 3.942 -3.180 2.063 1.00 0.00 C ATOM 365 CD GLN A 25 3.354 -3.979 3.210 1.00 0.00 C ATOM 366 OE1 GLN A 25 2.682 -4.988 2.997 1.00 0.00 O ATOM 367 NE2 GLN A 25 3.604 -3.531 4.435 1.00 0.00 N ATOM 0 H GLN A 25 7.269 -3.132 0.473 1.00 0.00 H new ATOM 0 HA GLN A 25 6.258 -3.213 3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.315 -3.410 0.440 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.850 -4.916 1.205 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.263 -2.206 2.431 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.168 -2.999 1.317 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.166 -2.690 4.566 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.234 -4.028 5.245 1.00 0.00 H new ATOM 376 N VAL A 26 7.994 -5.482 3.136 1.00 0.00 N ATOM 377 CA VAL A 26 8.484 -6.767 3.666 1.00 0.00 C ATOM 378 C VAL A 26 7.539 -7.945 3.416 1.00 0.00 C ATOM 379 O VAL A 26 6.373 -7.917 3.804 1.00 0.00 O ATOM 380 CB VAL A 26 8.751 -6.667 5.180 1.00 0.00 C ATOM 381 CG1 VAL A 26 10.021 -5.874 5.452 1.00 0.00 C ATOM 382 CG2 VAL A 26 7.561 -6.041 5.890 1.00 0.00 C ATOM 0 H VAL A 26 8.718 -4.766 3.084 1.00 0.00 H new ATOM 0 HA VAL A 26 9.406 -6.966 3.120 1.00 0.00 H new ATOM 0 HB VAL A 26 8.892 -7.675 5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.190 -5.816 6.527 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.868 -6.370 4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.916 -4.868 5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.767 -5.978 6.959 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.386 -5.040 5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.675 -6.655 5.727 1.00 0.00 H new ATOM 392 N PHE A 27 8.068 -8.999 2.802 1.00 0.00 N ATOM 393 CA PHE A 27 7.283 -10.199 2.533 1.00 0.00 C ATOM 394 C PHE A 27 7.823 -11.376 3.337 1.00 0.00 C ATOM 395 O PHE A 27 8.776 -12.035 2.925 1.00 0.00 O ATOM 396 CB PHE A 27 7.311 -10.529 1.040 1.00 0.00 C ATOM 397 CG PHE A 27 7.043 -9.343 0.160 1.00 0.00 C ATOM 398 CD1 PHE A 27 8.073 -8.494 -0.211 1.00 0.00 C ATOM 399 CD2 PHE A 27 5.763 -9.076 -0.293 1.00 0.00 C ATOM 400 CE1 PHE A 27 7.829 -7.400 -1.019 1.00 0.00 C ATOM 401 CE2 PHE A 27 5.513 -7.985 -1.100 1.00 0.00 C ATOM 402 CZ PHE A 27 6.546 -7.145 -1.464 1.00 0.00 C ATOM 0 H PHE A 27 9.035 -9.047 2.482 1.00 0.00 H new ATOM 0 HA PHE A 27 6.252 -10.012 2.832 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.285 -10.947 0.786 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.569 -11.300 0.832 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.077 -8.689 0.135 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.950 -9.729 -0.012 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.640 -6.745 -1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.509 -7.788 -1.447 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.352 -6.290 -2.095 1.00 0.00 H new ATOM 412 N ASN A 28 7.213 -11.626 4.490 1.00 0.00 N ATOM 413 CA ASN A 28 7.639 -12.716 5.358 1.00 0.00 C ATOM 414 C ASN A 28 6.455 -13.332 6.098 1.00 0.00 C ATOM 415 O ASN A 28 5.547 -12.626 6.540 1.00 0.00 O ATOM 416 CB ASN A 28 8.676 -12.214 6.366 1.00 0.00 C ATOM 417 CG ASN A 28 10.099 -12.486 5.921 1.00 0.00 C ATOM 418 OD1 ASN A 28 10.423 -12.385 4.738 1.00 0.00 O ATOM 419 ND2 ASN A 28 10.958 -12.833 6.872 1.00 0.00 N ATOM 0 H ASN A 28 6.422 -11.088 4.845 1.00 0.00 H new ATOM 0 HA ASN A 28 8.087 -13.487 4.730 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.544 -11.142 6.514 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.502 -12.693 7.330 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.931 -13.028 6.634 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.645 -12.904 7.840 1.00 0.00 H new ATOM 426 N ASP A 29 6.480 -14.653 6.231 1.00 0.00 N ATOM 427 CA ASP A 29 5.417 -15.378 6.921 1.00 0.00 C ATOM 428 C ASP A 29 5.312 -14.932 8.381 1.00 0.00 C ATOM 429 O ASP A 29 6.324 -14.639 9.017 1.00 0.00 O ATOM 430 CB ASP A 29 5.673 -16.885 6.852 1.00 0.00 C ATOM 431 CG ASP A 29 7.097 -17.249 7.225 1.00 0.00 C ATOM 432 OD1 ASP A 29 7.401 -17.296 8.436 1.00 0.00 O ATOM 433 OD2 ASP A 29 7.909 -17.489 6.306 1.00 0.00 O ATOM 0 H ASP A 29 7.227 -15.246 5.869 1.00 0.00 H new ATOM 0 HA ASP A 29 4.474 -15.153 6.423 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.983 -17.399 7.521 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.463 -17.240 5.843 1.00 0.00 H new ATOM 438 N PRO A 30 4.085 -14.874 8.943 1.00 0.00 N ATOM 439 CA PRO A 30 2.847 -15.214 8.226 1.00 0.00 C ATOM 440 C PRO A 30 2.495 -14.188 7.155 1.00 0.00 C ATOM 441 O PRO A 30 2.456 -12.987 7.419 1.00 0.00 O ATOM 442 CB PRO A 30 1.785 -15.215 9.327 1.00 0.00 C ATOM 443 CG PRO A 30 2.323 -14.295 10.367 1.00 0.00 C ATOM 444 CD PRO A 30 3.816 -14.465 10.334 1.00 0.00 C ATOM 0 HA PRO A 30 2.934 -16.163 7.696 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.823 -14.868 8.950 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.629 -16.217 9.726 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.043 -13.263 10.158 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.923 -14.541 11.351 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.331 -13.538 10.587 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.150 -15.220 11.046 1.00 0.00 H new ATOM 452 N LEU A 31 2.241 -14.674 5.946 1.00 0.00 N ATOM 453 CA LEU A 31 1.893 -13.804 4.831 1.00 0.00 C ATOM 454 C LEU A 31 0.483 -13.252 4.990 1.00 0.00 C ATOM 455 O LEU A 31 -0.472 -14.006 5.181 1.00 0.00 O ATOM 456 CB LEU A 31 2.005 -14.565 3.508 1.00 0.00 C ATOM 457 CG LEU A 31 3.431 -14.889 3.063 1.00 0.00 C ATOM 458 CD1 LEU A 31 3.475 -16.231 2.348 1.00 0.00 C ATOM 459 CD2 LEU A 31 3.971 -13.784 2.167 1.00 0.00 C ATOM 0 H LEU A 31 2.270 -15.667 5.713 1.00 0.00 H new ATOM 0 HA LEU A 31 2.593 -12.969 4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.448 -15.498 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.522 -13.977 2.727 1.00 0.00 H new ATOM 0 HG LEU A 31 4.064 -14.954 3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.498 -16.445 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.129 -17.014 3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.830 -16.197 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.987 -14.030 1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.337 -13.688 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.976 -12.841 2.714 1.00 0.00 H new ATOM 471 N VAL A 32 0.355 -11.932 4.904 1.00 0.00 N ATOM 472 CA VAL A 32 -0.943 -11.283 5.028 1.00 0.00 C ATOM 473 C VAL A 32 -1.774 -11.517 3.771 1.00 0.00 C ATOM 474 O VAL A 32 -1.237 -11.546 2.663 1.00 0.00 O ATOM 475 CB VAL A 32 -0.794 -9.767 5.275 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.065 -9.100 4.120 1.00 0.00 C ATOM 477 CG2 VAL A 32 -2.153 -9.125 5.496 1.00 0.00 C ATOM 0 H VAL A 32 1.134 -11.292 4.749 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.450 -11.722 5.887 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.198 -9.626 6.177 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.028 -8.032 4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.928 -9.538 4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.627 -9.252 3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.027 -8.056 5.668 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.776 -9.279 4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.633 -9.578 6.363 1.00 0.00 H new ATOM 487 N SER A 33 -3.077 -11.714 3.942 1.00 0.00 N ATOM 488 CA SER A 33 -3.959 -11.980 2.810 1.00 0.00 C ATOM 489 C SER A 33 -4.330 -10.697 2.073 1.00 0.00 C ATOM 490 O SER A 33 -4.002 -9.594 2.510 1.00 0.00 O ATOM 491 CB SER A 33 -5.228 -12.693 3.284 1.00 0.00 C ATOM 492 OG SER A 33 -5.873 -13.354 2.208 1.00 0.00 O ATOM 0 H SER A 33 -3.544 -11.695 4.848 1.00 0.00 H new ATOM 0 HA SER A 33 -3.419 -12.623 2.115 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.975 -13.416 4.060 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.910 -11.970 3.732 1.00 0.00 H new ATOM 0 HG SER A 33 -6.680 -13.803 2.536 1.00 0.00 H new ATOM 498 N GLU A 34 -5.004 -10.861 0.937 1.00 0.00 N ATOM 499 CA GLU A 34 -5.412 -9.728 0.107 1.00 0.00 C ATOM 500 C GLU A 34 -6.451 -8.857 0.804 1.00 0.00 C ATOM 501 O GLU A 34 -6.390 -7.631 0.728 1.00 0.00 O ATOM 502 CB GLU A 34 -5.954 -10.206 -1.248 1.00 0.00 C ATOM 503 CG GLU A 34 -6.566 -11.599 -1.224 1.00 0.00 C ATOM 504 CD GLU A 34 -7.519 -11.835 -2.379 1.00 0.00 C ATOM 505 OE1 GLU A 34 -7.060 -11.817 -3.540 1.00 0.00 O ATOM 506 OE2 GLU A 34 -8.724 -12.040 -2.122 1.00 0.00 O ATOM 0 H GLU A 34 -5.280 -11.771 0.568 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.522 -9.122 -0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.706 -9.498 -1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.143 -10.191 -1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.770 -12.343 -1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.098 -11.742 -0.283 1.00 0.00 H new ATOM 513 N GLU A 35 -7.399 -9.485 1.486 1.00 0.00 N ATOM 514 CA GLU A 35 -8.439 -8.744 2.194 1.00 0.00 C ATOM 515 C GLU A 35 -7.831 -7.949 3.342 1.00 0.00 C ATOM 516 O GLU A 35 -8.236 -6.816 3.622 1.00 0.00 O ATOM 517 CB GLU A 35 -9.508 -9.700 2.727 1.00 0.00 C ATOM 518 CG GLU A 35 -10.775 -9.001 3.188 1.00 0.00 C ATOM 519 CD GLU A 35 -10.784 -8.734 4.681 1.00 0.00 C ATOM 520 OE1 GLU A 35 -10.675 -9.705 5.458 1.00 0.00 O ATOM 521 OE2 GLU A 35 -10.901 -7.553 5.072 1.00 0.00 O ATOM 0 H GLU A 35 -7.471 -10.499 1.565 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.907 -8.052 1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.763 -10.418 1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.093 -10.268 3.560 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.880 -8.057 2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.639 -9.613 2.927 1.00 0.00 H new ATOM 528 N ASP A 36 -6.834 -8.544 3.982 1.00 0.00 N ATOM 529 CA ASP A 36 -6.141 -7.892 5.082 1.00 0.00 C ATOM 530 C ASP A 36 -5.279 -6.762 4.540 1.00 0.00 C ATOM 531 O ASP A 36 -5.147 -5.709 5.165 1.00 0.00 O ATOM 532 CB ASP A 36 -5.286 -8.901 5.851 1.00 0.00 C ATOM 533 CG ASP A 36 -4.565 -8.272 7.028 1.00 0.00 C ATOM 534 OD1 ASP A 36 -3.886 -7.242 6.828 1.00 0.00 O ATOM 535 OD2 ASP A 36 -4.678 -8.810 8.149 1.00 0.00 O ATOM 0 H ASP A 36 -6.488 -9.477 3.758 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.876 -7.479 5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.920 -9.712 6.209 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.554 -9.343 5.175 1.00 0.00 H new ATOM 540 N MET A 37 -4.717 -6.981 3.355 1.00 0.00 N ATOM 541 CA MET A 37 -3.893 -5.974 2.706 1.00 0.00 C ATOM 542 C MET A 37 -4.763 -4.798 2.282 1.00 0.00 C ATOM 543 O MET A 37 -4.407 -3.639 2.489 1.00 0.00 O ATOM 544 CB MET A 37 -3.179 -6.566 1.488 1.00 0.00 C ATOM 545 CG MET A 37 -2.324 -5.557 0.737 1.00 0.00 C ATOM 546 SD MET A 37 -0.583 -6.026 0.673 1.00 0.00 S ATOM 547 CE MET A 37 -0.051 -5.593 2.328 1.00 0.00 C ATOM 0 H MET A 37 -4.819 -7.848 2.827 1.00 0.00 H new ATOM 0 HA MET A 37 -3.138 -5.629 3.412 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.549 -7.394 1.813 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.922 -6.979 0.806 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.704 -5.450 -0.279 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.416 -4.582 1.216 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.735 -6.277 2.648 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.332 -4.573 2.332 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.896 -5.665 3.012 1.00 0.00 H new ATOM 557 N VAL A 38 -5.919 -5.113 1.698 1.00 0.00 N ATOM 558 CA VAL A 38 -6.855 -4.086 1.258 1.00 0.00 C ATOM 559 C VAL A 38 -7.228 -3.179 2.423 1.00 0.00 C ATOM 560 O VAL A 38 -7.197 -1.955 2.301 1.00 0.00 O ATOM 561 CB VAL A 38 -8.138 -4.705 0.659 1.00 0.00 C ATOM 562 CG1 VAL A 38 -9.103 -3.616 0.201 1.00 0.00 C ATOM 563 CG2 VAL A 38 -7.793 -5.641 -0.493 1.00 0.00 C ATOM 0 H VAL A 38 -6.227 -6.069 1.520 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.360 -3.503 0.481 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.632 -5.287 1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.999 -4.076 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.378 -2.993 1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.623 -3.000 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.709 -6.067 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.273 -5.083 -1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.150 -6.443 -0.130 1.00 0.00 H new ATOM 573 N THR A 39 -7.567 -3.786 3.560 1.00 0.00 N ATOM 574 CA THR A 39 -7.927 -3.017 4.745 1.00 0.00 C ATOM 575 C THR A 39 -6.765 -2.113 5.156 1.00 0.00 C ATOM 576 O THR A 39 -6.953 -0.927 5.425 1.00 0.00 O ATOM 577 CB THR A 39 -8.327 -3.959 5.894 1.00 0.00 C ATOM 578 OG1 THR A 39 -9.534 -3.526 6.497 1.00 0.00 O ATOM 579 CG2 THR A 39 -7.286 -4.076 6.992 1.00 0.00 C ATOM 0 H THR A 39 -7.599 -4.798 3.683 1.00 0.00 H new ATOM 0 HA THR A 39 -8.785 -2.387 4.512 1.00 0.00 H new ATOM 0 HB THR A 39 -8.437 -4.937 5.426 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.774 -4.137 7.224 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.645 -4.758 7.763 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.356 -4.460 6.572 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.108 -3.094 7.431 1.00 0.00 H new ATOM 587 N VAL A 40 -5.563 -2.684 5.192 1.00 0.00 N ATOM 588 CA VAL A 40 -4.371 -1.929 5.557 1.00 0.00 C ATOM 589 C VAL A 40 -4.175 -0.750 4.612 1.00 0.00 C ATOM 590 O VAL A 40 -3.888 0.366 5.046 1.00 0.00 O ATOM 591 CB VAL A 40 -3.109 -2.814 5.531 1.00 0.00 C ATOM 592 CG1 VAL A 40 -1.893 -2.034 6.016 1.00 0.00 C ATOM 593 CG2 VAL A 40 -3.315 -4.067 6.372 1.00 0.00 C ATOM 0 H VAL A 40 -5.391 -3.665 4.973 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.519 -1.564 6.573 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.928 -3.120 4.501 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.014 -2.678 5.990 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.732 -1.172 5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.063 -1.694 7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.413 -4.678 6.341 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.525 -3.783 7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.154 -4.638 5.975 1.00 0.00 H new ATOM 603 N VAL A 41 -4.340 -1.002 3.316 1.00 0.00 N ATOM 604 CA VAL A 41 -4.190 0.043 2.314 1.00 0.00 C ATOM 605 C VAL A 41 -5.237 1.132 2.518 1.00 0.00 C ATOM 606 O VAL A 41 -4.915 2.318 2.546 1.00 0.00 O ATOM 607 CB VAL A 41 -4.314 -0.520 0.885 1.00 0.00 C ATOM 608 CG1 VAL A 41 -4.005 0.559 -0.144 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.398 -1.722 0.700 1.00 0.00 C ATOM 0 H VAL A 41 -4.577 -1.919 2.938 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.193 0.466 2.434 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.342 -0.850 0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.098 0.142 -1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.707 1.385 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.989 0.923 0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.500 -2.105 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.364 -1.422 0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.672 -2.501 1.411 1.00 0.00 H new ATOM 619 N GLU A 42 -6.493 0.717 2.668 1.00 0.00 N ATOM 620 CA GLU A 42 -7.587 1.658 2.880 1.00 0.00 C ATOM 621 C GLU A 42 -7.284 2.571 4.063 1.00 0.00 C ATOM 622 O GLU A 42 -7.492 3.784 3.996 1.00 0.00 O ATOM 623 CB GLU A 42 -8.897 0.905 3.117 1.00 0.00 C ATOM 624 CG GLU A 42 -9.968 1.207 2.080 1.00 0.00 C ATOM 625 CD GLU A 42 -11.334 1.432 2.698 1.00 0.00 C ATOM 626 OE1 GLU A 42 -11.987 0.435 3.074 1.00 0.00 O ATOM 627 OE2 GLU A 42 -11.752 2.604 2.807 1.00 0.00 O ATOM 0 H GLU A 42 -6.777 -0.263 2.647 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.692 2.272 1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.696 -0.166 3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.279 1.159 4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.680 2.092 1.513 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.026 0.380 1.372 1.00 0.00 H new ATOM 634 N ASP A 43 -6.785 1.978 5.142 1.00 0.00 N ATOM 635 CA ASP A 43 -6.443 2.733 6.339 1.00 0.00 C ATOM 636 C ASP A 43 -5.256 3.651 6.068 1.00 0.00 C ATOM 637 O ASP A 43 -5.219 4.788 6.536 1.00 0.00 O ATOM 638 CB ASP A 43 -6.118 1.781 7.492 1.00 0.00 C ATOM 639 CG ASP A 43 -6.748 2.220 8.799 1.00 0.00 C ATOM 640 OD1 ASP A 43 -7.910 1.839 9.055 1.00 0.00 O ATOM 641 OD2 ASP A 43 -6.080 2.944 9.567 1.00 0.00 O ATOM 0 H ASP A 43 -6.609 0.976 5.211 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.301 3.344 6.619 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.467 0.779 7.242 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.037 1.720 7.615 1.00 0.00 H new ATOM 646 N TRP A 44 -4.294 3.150 5.300 1.00 0.00 N ATOM 647 CA TRP A 44 -3.102 3.917 4.949 1.00 0.00 C ATOM 648 C TRP A 44 -3.465 5.155 4.133 1.00 0.00 C ATOM 649 O TRP A 44 -2.943 6.246 4.368 1.00 0.00 O ATOM 650 CB TRP A 44 -2.142 3.050 4.131 1.00 0.00 C ATOM 651 CG TRP A 44 -1.180 2.248 4.953 1.00 0.00 C ATOM 652 CD1 TRP A 44 -0.823 2.460 6.254 1.00 0.00 C ATOM 653 CD2 TRP A 44 -0.443 1.101 4.515 1.00 0.00 C ATOM 654 NE1 TRP A 44 0.092 1.513 6.651 1.00 0.00 N ATOM 655 CE2 TRP A 44 0.340 0.666 5.600 1.00 0.00 C ATOM 656 CE3 TRP A 44 -0.372 0.399 3.308 1.00 0.00 C ATOM 657 CZ2 TRP A 44 1.185 -0.439 5.512 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.465 -0.697 3.223 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.233 -1.107 4.319 1.00 0.00 C ATOM 0 H TRP A 44 -4.317 2.209 4.906 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.624 4.231 5.877 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.725 2.370 3.510 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.577 3.693 3.456 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.203 3.254 6.879 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.517 1.450 7.576 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.961 0.708 2.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.780 -0.756 6.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.528 -1.247 2.295 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.877 -1.969 4.221 1.00 0.00 H new ATOM 670 N MET A 45 -4.343 4.965 3.154 1.00 0.00 N ATOM 671 CA MET A 45 -4.760 6.051 2.274 1.00 0.00 C ATOM 672 C MET A 45 -5.568 7.117 3.008 1.00 0.00 C ATOM 673 O MET A 45 -5.322 8.311 2.836 1.00 0.00 O ATOM 674 CB MET A 45 -5.576 5.499 1.103 1.00 0.00 C ATOM 675 CG MET A 45 -4.807 4.521 0.232 1.00 0.00 C ATOM 676 SD MET A 45 -5.531 4.334 -1.408 1.00 0.00 S ATOM 677 CE MET A 45 -6.850 3.170 -1.067 1.00 0.00 C ATOM 0 H MET A 45 -4.781 4.067 2.949 1.00 0.00 H new ATOM 0 HA MET A 45 -3.852 6.526 1.901 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.465 5.004 1.493 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.918 6.330 0.486 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.776 4.861 0.133 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.776 3.549 0.724 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.505 2.157 -1.276 1.00 0.00 H new ATOM 0 HE2 MET A 45 -7.140 3.245 -0.019 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.709 3.398 -1.698 1.00 0.00 H new ATOM 687 N ASN A 46 -6.532 6.699 3.826 1.00 0.00 N ATOM 688 CA ASN A 46 -7.353 7.653 4.563 1.00 0.00 C ATOM 689 C ASN A 46 -6.511 8.399 5.586 1.00 0.00 C ATOM 690 O ASN A 46 -6.643 9.614 5.747 1.00 0.00 O ATOM 691 CB ASN A 46 -8.517 6.941 5.257 1.00 0.00 C ATOM 692 CG ASN A 46 -9.807 7.733 5.175 1.00 0.00 C ATOM 693 OD1 ASN A 46 -9.918 8.685 4.401 1.00 0.00 O ATOM 694 ND2 ASN A 46 -10.794 7.345 5.976 1.00 0.00 N ATOM 0 H ASN A 46 -6.761 5.719 3.993 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.761 8.372 3.853 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.665 5.962 4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.264 6.771 6.303 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.685 7.841 5.965 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.660 6.551 6.602 1.00 0.00 H new ATOM 701 N PHE A 47 -5.630 7.671 6.265 1.00 0.00 N ATOM 702 CA PHE A 47 -4.758 8.278 7.256 1.00 0.00 C ATOM 703 C PHE A 47 -3.903 9.354 6.603 1.00 0.00 C ATOM 704 O PHE A 47 -3.718 10.431 7.161 1.00 0.00 O ATOM 705 CB PHE A 47 -3.858 7.221 7.919 1.00 0.00 C ATOM 706 CG PHE A 47 -2.386 7.534 7.836 1.00 0.00 C ATOM 707 CD1 PHE A 47 -1.837 8.550 8.603 1.00 0.00 C ATOM 708 CD2 PHE A 47 -1.558 6.824 6.980 1.00 0.00 C ATOM 709 CE1 PHE A 47 -0.490 8.850 8.520 1.00 0.00 C ATOM 710 CE2 PHE A 47 -0.212 7.122 6.890 1.00 0.00 C ATOM 711 CZ PHE A 47 0.323 8.137 7.662 1.00 0.00 C ATOM 0 H PHE A 47 -5.504 6.666 6.146 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.379 8.730 8.029 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.140 7.124 8.967 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.041 6.255 7.448 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.469 9.114 9.273 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.970 6.029 6.377 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.074 9.641 9.126 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.422 6.563 6.218 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.375 8.371 7.594 1.00 0.00 H new ATOM 721 N TYR A 48 -3.375 9.045 5.421 1.00 0.00 N ATOM 722 CA TYR A 48 -2.524 9.978 4.696 1.00 0.00 C ATOM 723 C TYR A 48 -3.266 11.263 4.352 1.00 0.00 C ATOM 724 O TYR A 48 -2.785 12.360 4.630 1.00 0.00 O ATOM 725 CB TYR A 48 -2.000 9.327 3.417 1.00 0.00 C ATOM 726 CG TYR A 48 -0.760 8.485 3.623 1.00 0.00 C ATOM 727 CD1 TYR A 48 0.320 8.976 4.345 1.00 0.00 C ATOM 728 CD2 TYR A 48 -0.671 7.202 3.097 1.00 0.00 C ATOM 729 CE1 TYR A 48 1.455 8.212 4.537 1.00 0.00 C ATOM 730 CE2 TYR A 48 0.462 6.431 3.287 1.00 0.00 C ATOM 731 CZ TYR A 48 1.521 6.943 4.008 1.00 0.00 C ATOM 732 OH TYR A 48 2.650 6.181 4.207 1.00 0.00 O ATOM 0 H TYR A 48 -3.523 8.154 4.947 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.687 10.234 5.345 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.785 8.702 2.991 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.781 10.106 2.687 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.272 9.971 4.763 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.499 6.801 2.531 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.287 8.609 5.100 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.517 5.435 2.874 1.00 0.00 H new ATOM 0 HH TYR A 48 2.538 5.310 3.771 1.00 0.00 H new ATOM 742 N ILE A 49 -4.430 11.122 3.735 1.00 0.00 N ATOM 743 CA ILE A 49 -5.229 12.274 3.339 1.00 0.00 C ATOM 744 C ILE A 49 -5.499 13.200 4.533 1.00 0.00 C ATOM 745 O ILE A 49 -5.181 14.393 4.492 1.00 0.00 O ATOM 746 CB ILE A 49 -6.554 11.801 2.676 1.00 0.00 C ATOM 747 CG1 ILE A 49 -6.496 11.948 1.142 1.00 0.00 C ATOM 748 CG2 ILE A 49 -7.759 12.547 3.233 1.00 0.00 C ATOM 749 CD1 ILE A 49 -5.103 11.856 0.547 1.00 0.00 C ATOM 0 H ILE A 49 -4.843 10.220 3.497 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.666 12.852 2.606 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.671 10.744 2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.120 11.175 0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.931 12.909 0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.666 12.189 2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.831 12.372 4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.644 13.615 3.046 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.161 11.970 -0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.477 12.646 0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.669 10.885 0.786 1.00 0.00 H new ATOM 761 N ASN A 50 -6.066 12.648 5.601 1.00 0.00 N ATOM 762 CA ASN A 50 -6.350 13.436 6.795 1.00 0.00 C ATOM 763 C ASN A 50 -5.050 13.925 7.426 1.00 0.00 C ATOM 764 O ASN A 50 -4.982 15.029 7.969 1.00 0.00 O ATOM 765 CB ASN A 50 -7.146 12.606 7.805 1.00 0.00 C ATOM 766 CG ASN A 50 -8.022 13.464 8.699 1.00 0.00 C ATOM 767 OD1 ASN A 50 -8.685 14.391 8.234 1.00 0.00 O ATOM 768 ND2 ASN A 50 -8.029 13.157 9.992 1.00 0.00 N ATOM 0 H ASN A 50 -6.336 11.666 5.664 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.948 14.300 6.506 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.769 11.889 7.271 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.456 12.031 8.422 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.599 13.698 10.642 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.464 12.380 10.335 1.00 0.00 H new ATOM 775 N TYR A 51 -4.023 13.086 7.351 1.00 0.00 N ATOM 776 CA TYR A 51 -2.712 13.401 7.908 1.00 0.00 C ATOM 777 C TYR A 51 -2.079 14.587 7.181 1.00 0.00 C ATOM 778 O TYR A 51 -1.384 15.401 7.788 1.00 0.00 O ATOM 779 CB TYR A 51 -1.828 12.152 7.811 1.00 0.00 C ATOM 780 CG TYR A 51 -0.342 12.380 7.975 1.00 0.00 C ATOM 781 CD1 TYR A 51 0.168 13.120 9.033 1.00 0.00 C ATOM 782 CD2 TYR A 51 0.552 11.820 7.075 1.00 0.00 C ATOM 783 CE1 TYR A 51 1.527 13.294 9.185 1.00 0.00 C ATOM 784 CE2 TYR A 51 1.910 11.995 7.217 1.00 0.00 C ATOM 785 CZ TYR A 51 2.395 12.731 8.275 1.00 0.00 C ATOM 786 OH TYR A 51 3.752 12.903 8.426 1.00 0.00 O ATOM 0 H TYR A 51 -4.075 12.171 6.904 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.817 13.690 8.954 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.153 11.441 8.570 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.999 11.684 6.842 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.509 13.565 9.747 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.176 11.236 6.248 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.910 13.870 10.015 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.591 11.557 6.502 1.00 0.00 H new ATOM 0 HH TYR A 51 4.223 12.442 7.701 1.00 0.00 H new ATOM 796 N TYR A 52 -2.328 14.677 5.879 1.00 0.00 N ATOM 797 CA TYR A 52 -1.787 15.760 5.065 1.00 0.00 C ATOM 798 C TYR A 52 -2.535 17.068 5.296 1.00 0.00 C ATOM 799 O TYR A 52 -1.944 18.144 5.253 1.00 0.00 O ATOM 800 CB TYR A 52 -1.880 15.419 3.580 1.00 0.00 C ATOM 801 CG TYR A 52 -1.058 14.238 3.141 1.00 0.00 C ATOM 802 CD1 TYR A 52 0.270 14.097 3.520 1.00 0.00 C ATOM 803 CD2 TYR A 52 -1.615 13.271 2.323 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.018 13.017 3.093 1.00 0.00 C ATOM 805 CE2 TYR A 52 -0.882 12.191 1.894 1.00 0.00 C ATOM 806 CZ TYR A 52 0.435 12.065 2.279 1.00 0.00 C ATOM 807 OH TYR A 52 1.170 10.985 1.849 1.00 0.00 O ATOM 0 H TYR A 52 -2.903 14.011 5.363 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.745 15.882 5.362 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.924 15.227 3.332 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.571 16.291 3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.724 14.841 4.157 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.646 13.367 2.016 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.051 12.918 3.393 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.336 11.445 1.258 1.00 0.00 H new ATOM 0 HH TYR A 52 1.056 10.241 2.477 1.00 0.00 H new ATOM 817 N ARG A 53 -3.842 16.971 5.518 1.00 0.00 N ATOM 818 CA ARG A 53 -4.671 18.158 5.725 1.00 0.00 C ATOM 819 C ARG A 53 -4.230 18.965 6.942 1.00 0.00 C ATOM 820 O ARG A 53 -4.430 20.178 6.994 1.00 0.00 O ATOM 821 CB ARG A 53 -6.138 17.749 5.886 1.00 0.00 C ATOM 822 CG ARG A 53 -7.122 18.869 5.588 1.00 0.00 C ATOM 823 CD ARG A 53 -8.359 18.776 6.469 1.00 0.00 C ATOM 824 NE ARG A 53 -9.558 18.462 5.697 1.00 0.00 N ATOM 825 CZ ARG A 53 -10.798 18.685 6.128 1.00 0.00 C ATOM 826 NH1 ARG A 53 -11.006 19.231 7.318 1.00 0.00 N ATOM 827 NH2 ARG A 53 -11.832 18.362 5.362 1.00 0.00 N ATOM 0 H ARG A 53 -4.350 16.088 5.559 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.553 18.792 4.846 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.346 16.909 5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.298 17.398 6.906 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.636 19.832 5.743 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.417 18.826 4.540 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.206 18.010 7.229 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.503 19.721 6.993 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.439 18.047 4.773 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.214 19.483 7.909 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.958 19.399 7.642 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.676 17.944 4.445 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.783 18.532 5.690 1.00 0.00 H new ATOM 841 N GLN A 54 -3.663 18.291 7.934 1.00 0.00 N ATOM 842 CA GLN A 54 -3.238 18.961 9.157 1.00 0.00 C ATOM 843 C GLN A 54 -1.772 19.384 9.115 1.00 0.00 C ATOM 844 O GLN A 54 -1.331 20.170 9.951 1.00 0.00 O ATOM 845 CB GLN A 54 -3.481 18.046 10.358 1.00 0.00 C ATOM 846 CG GLN A 54 -4.878 18.173 10.944 1.00 0.00 C ATOM 847 CD GLN A 54 -5.335 16.908 11.642 1.00 0.00 C ATOM 848 OE1 GLN A 54 -5.452 16.868 12.867 1.00 0.00 O ATOM 849 NE2 GLN A 54 -5.598 15.864 10.864 1.00 0.00 N ATOM 0 H GLN A 54 -3.487 17.286 7.917 1.00 0.00 H new ATOM 0 HA GLN A 54 -3.832 19.870 9.251 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.315 17.012 10.056 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.749 18.274 11.132 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.897 19.001 11.652 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.581 18.418 10.148 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.488 15.941 9.853 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.910 14.986 11.278 1.00 0.00 H new ATOM 858 N GLN A 55 -1.007 18.852 8.166 1.00 0.00 N ATOM 859 CA GLN A 55 0.411 19.185 8.074 1.00 0.00 C ATOM 860 C GLN A 55 0.711 20.143 6.924 1.00 0.00 C ATOM 861 O GLN A 55 1.694 19.968 6.203 1.00 0.00 O ATOM 862 CB GLN A 55 1.234 17.913 7.908 1.00 0.00 C ATOM 863 CG GLN A 55 1.075 16.937 9.059 1.00 0.00 C ATOM 864 CD GLN A 55 2.404 16.516 9.647 1.00 0.00 C ATOM 865 OE1 GLN A 55 2.838 17.043 10.673 1.00 0.00 O ATOM 866 NE2 GLN A 55 3.057 15.565 8.997 1.00 0.00 N ATOM 0 H GLN A 55 -1.339 18.197 7.458 1.00 0.00 H new ATOM 0 HA GLN A 55 0.684 19.690 9.001 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.943 17.420 6.980 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.286 18.180 7.811 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.465 17.394 9.838 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.539 16.054 8.711 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.657 15.158 8.151 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.960 15.239 9.342 1.00 0.00 H new ATOM 875 N VAL A 56 -0.117 21.166 6.764 1.00 0.00 N ATOM 876 CA VAL A 56 0.101 22.148 5.705 1.00 0.00 C ATOM 877 C VAL A 56 0.100 23.565 6.265 1.00 0.00 C ATOM 878 O VAL A 56 -0.281 23.790 7.414 1.00 0.00 O ATOM 879 CB VAL A 56 -0.955 22.072 4.583 1.00 0.00 C ATOM 880 CG1 VAL A 56 -0.287 22.138 3.220 1.00 0.00 C ATOM 881 CG2 VAL A 56 -1.812 20.822 4.692 1.00 0.00 C ATOM 0 H VAL A 56 -0.937 21.339 7.345 1.00 0.00 H new ATOM 0 HA VAL A 56 1.074 21.905 5.279 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.615 22.932 4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.046 22.083 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.261 23.076 3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.404 21.302 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.542 20.809 3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.177 19.939 4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.333 20.820 5.650 1.00 0.00 H new ATOM 891 N THR A 57 0.527 24.515 5.442 1.00 0.00 N ATOM 892 CA THR A 57 0.579 25.915 5.836 1.00 0.00 C ATOM 893 C THR A 57 0.115 26.796 4.679 1.00 0.00 C ATOM 894 O THR A 57 -0.070 26.312 3.563 1.00 0.00 O ATOM 895 CB THR A 57 2.001 26.294 6.248 1.00 0.00 C ATOM 896 OG1 THR A 57 2.935 25.863 5.274 1.00 0.00 O ATOM 897 CG2 THR A 57 2.418 25.697 7.574 1.00 0.00 C ATOM 0 H THR A 57 0.845 24.337 4.489 1.00 0.00 H new ATOM 0 HA THR A 57 -0.084 26.069 6.688 1.00 0.00 H new ATOM 0 HB THR A 57 1.996 27.380 6.340 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.840 26.116 5.554 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.437 26.005 7.807 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.745 26.046 8.358 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.372 24.610 7.514 1.00 0.00 H new ATOM 905 N GLY A 58 -0.065 28.087 4.939 1.00 0.00 N ATOM 906 CA GLY A 58 -0.499 28.995 3.893 1.00 0.00 C ATOM 907 C GLY A 58 -2.008 29.050 3.747 1.00 0.00 C ATOM 908 O GLY A 58 -2.739 28.813 4.709 1.00 0.00 O ATOM 0 H GLY A 58 0.081 28.519 5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.123 29.995 4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.058 28.686 2.945 1.00 0.00 H new ATOM 912 N GLU A 59 -2.476 29.370 2.542 1.00 0.00 N ATOM 913 CA GLU A 59 -3.910 29.463 2.275 1.00 0.00 C ATOM 914 C GLU A 59 -4.550 28.078 2.212 1.00 0.00 C ATOM 915 O GLU A 59 -3.892 27.094 1.880 1.00 0.00 O ATOM 916 CB GLU A 59 -4.164 30.215 0.966 1.00 0.00 C ATOM 917 CG GLU A 59 -3.288 29.754 -0.190 1.00 0.00 C ATOM 918 CD GLU A 59 -2.341 30.836 -0.670 1.00 0.00 C ATOM 919 OE1 GLU A 59 -2.741 31.627 -1.551 1.00 0.00 O ATOM 920 OE2 GLU A 59 -1.201 30.894 -0.163 1.00 0.00 O ATOM 0 H GLU A 59 -1.884 29.569 1.736 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.366 30.015 3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.211 30.095 0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.999 31.280 1.132 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.711 28.883 0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.922 29.438 -1.018 1.00 0.00 H new ATOM 927 N PRO A 60 -5.853 27.989 2.534 1.00 0.00 N ATOM 928 CA PRO A 60 -6.590 26.719 2.518 1.00 0.00 C ATOM 929 C PRO A 60 -6.770 26.150 1.113 1.00 0.00 C ATOM 930 O PRO A 60 -6.992 24.950 0.944 1.00 0.00 O ATOM 931 CB PRO A 60 -7.948 27.085 3.123 1.00 0.00 C ATOM 932 CG PRO A 60 -8.097 28.545 2.871 1.00 0.00 C ATOM 933 CD PRO A 60 -6.710 29.119 2.939 1.00 0.00 C ATOM 0 HA PRO A 60 -6.056 25.942 3.065 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.754 26.519 2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.978 26.863 4.190 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.548 28.729 1.896 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.747 29.005 3.615 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.594 29.971 2.269 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.468 29.467 3.943 1.00 0.00 H new ATOM 941 N GLN A 61 -6.684 27.015 0.108 1.00 0.00 N ATOM 942 CA GLN A 61 -6.851 26.595 -1.280 1.00 0.00 C ATOM 943 C GLN A 61 -5.762 25.614 -1.707 1.00 0.00 C ATOM 944 O GLN A 61 -6.036 24.626 -2.393 1.00 0.00 O ATOM 945 CB GLN A 61 -6.848 27.817 -2.202 1.00 0.00 C ATOM 946 CG GLN A 61 -8.079 27.914 -3.088 1.00 0.00 C ATOM 947 CD GLN A 61 -7.904 28.906 -4.222 1.00 0.00 C ATOM 948 OE1 GLN A 61 -7.584 28.527 -5.349 1.00 0.00 O ATOM 949 NE2 GLN A 61 -8.112 30.183 -3.929 1.00 0.00 N ATOM 0 H GLN A 61 -6.500 28.011 0.228 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.810 26.083 -1.360 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.776 28.719 -1.595 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.959 27.784 -2.832 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.303 26.931 -3.502 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.936 28.208 -2.482 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.376 30.452 -2.981 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.008 30.895 -4.651 1.00 0.00 H new ATOM 958 N GLU A 62 -4.529 25.890 -1.306 1.00 0.00 N ATOM 959 CA GLU A 62 -3.410 25.026 -1.662 1.00 0.00 C ATOM 960 C GLU A 62 -3.510 23.677 -0.963 1.00 0.00 C ATOM 961 O GLU A 62 -3.223 22.641 -1.563 1.00 0.00 O ATOM 962 CB GLU A 62 -2.074 25.696 -1.336 1.00 0.00 C ATOM 963 CG GLU A 62 -1.887 26.033 0.136 1.00 0.00 C ATOM 964 CD GLU A 62 -0.600 25.469 0.705 1.00 0.00 C ATOM 965 OE1 GLU A 62 -0.539 24.241 0.930 1.00 0.00 O ATOM 966 OE2 GLU A 62 0.346 26.254 0.925 1.00 0.00 O ATOM 0 H GLU A 62 -4.278 26.699 -0.738 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.457 24.856 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.264 25.039 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.988 26.612 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.891 27.116 0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.732 25.644 0.704 1.00 0.00 H new ATOM 973 N ARG A 63 -3.927 23.682 0.301 1.00 0.00 N ATOM 974 CA ARG A 63 -4.068 22.442 1.046 1.00 0.00 C ATOM 975 C ARG A 63 -5.057 21.534 0.340 1.00 0.00 C ATOM 976 O ARG A 63 -4.778 20.364 0.083 1.00 0.00 O ATOM 977 CB ARG A 63 -4.560 22.734 2.465 1.00 0.00 C ATOM 978 CG ARG A 63 -3.469 23.228 3.392 1.00 0.00 C ATOM 979 CD ARG A 63 -3.574 24.723 3.644 1.00 0.00 C ATOM 980 NE ARG A 63 -2.956 25.110 4.912 1.00 0.00 N ATOM 981 CZ ARG A 63 -3.638 25.418 6.016 1.00 0.00 C ATOM 982 NH1 ARG A 63 -4.965 25.378 6.025 1.00 0.00 N ATOM 983 NH2 ARG A 63 -2.988 25.762 7.119 1.00 0.00 N ATOM 0 H ARG A 63 -4.170 24.524 0.823 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.098 21.949 1.102 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.353 23.480 2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.998 21.828 2.883 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.530 22.695 4.341 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.495 23.000 2.960 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.094 25.263 2.827 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.624 25.017 3.648 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.938 25.147 4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.473 25.110 5.182 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.477 25.615 6.875 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.968 25.791 7.122 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.507 25.998 7.964 1.00 0.00 H new ATOM 997 N ASP A 64 -6.219 22.090 0.037 1.00 0.00 N ATOM 998 CA ASP A 64 -7.267 21.343 -0.631 1.00 0.00 C ATOM 999 C ASP A 64 -6.806 20.800 -1.979 1.00 0.00 C ATOM 1000 O ASP A 64 -7.129 19.663 -2.323 1.00 0.00 O ATOM 1001 CB ASP A 64 -8.510 22.217 -0.814 1.00 0.00 C ATOM 1002 CG ASP A 64 -9.794 21.466 -0.521 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -10.174 21.379 0.666 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -10.419 20.963 -1.478 1.00 0.00 O ATOM 0 H ASP A 64 -6.459 23.059 0.245 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.515 20.491 0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.441 23.084 -0.156 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.538 22.594 -1.836 1.00 0.00 H new ATOM 1009 N LYS A 65 -6.059 21.591 -2.758 1.00 0.00 N ATOM 1010 CA LYS A 65 -5.604 21.114 -4.060 1.00 0.00 C ATOM 1011 C LYS A 65 -4.589 19.991 -3.894 1.00 0.00 C ATOM 1012 O LYS A 65 -4.712 18.931 -4.506 1.00 0.00 O ATOM 1013 CB LYS A 65 -4.987 22.263 -4.862 1.00 0.00 C ATOM 1014 CG LYS A 65 -4.457 21.844 -6.223 1.00 0.00 C ATOM 1015 CD LYS A 65 -3.598 22.932 -6.846 1.00 0.00 C ATOM 1016 CE LYS A 65 -2.455 22.344 -7.660 1.00 0.00 C ATOM 1017 NZ LYS A 65 -2.780 22.282 -9.111 1.00 0.00 N ATOM 0 H LYS A 65 -5.766 22.537 -2.516 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.466 20.727 -4.603 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.737 23.042 -4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.173 22.701 -4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.871 20.930 -6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.292 21.615 -6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.215 23.562 -7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.195 23.573 -6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.558 22.947 -7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.228 21.342 -7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.976 21.876 -9.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.620 21.686 -9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.971 23.241 -9.465 1.00 0.00 H new ATOM 1031 N ALA A 66 -3.588 20.231 -3.060 1.00 0.00 N ATOM 1032 CA ALA A 66 -2.552 19.239 -2.809 1.00 0.00 C ATOM 1033 C ALA A 66 -3.162 17.961 -2.244 1.00 0.00 C ATOM 1034 O ALA A 66 -2.670 16.860 -2.495 1.00 0.00 O ATOM 1035 CB ALA A 66 -1.505 19.797 -1.856 1.00 0.00 C ATOM 0 H ALA A 66 -3.471 21.104 -2.545 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.066 18.998 -3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.737 19.044 -1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.049 20.684 -2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.978 20.063 -0.911 1.00 0.00 H new ATOM 1041 N LEU A 67 -4.238 18.120 -1.481 1.00 0.00 N ATOM 1042 CA LEU A 67 -4.919 16.987 -0.876 1.00 0.00 C ATOM 1043 C LEU A 67 -5.670 16.171 -1.915 1.00 0.00 C ATOM 1044 O LEU A 67 -5.662 14.941 -1.870 1.00 0.00 O ATOM 1045 CB LEU A 67 -5.892 17.479 0.190 1.00 0.00 C ATOM 1046 CG LEU A 67 -5.274 17.865 1.539 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -6.164 17.385 2.659 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -3.867 17.301 1.699 1.00 0.00 C ATOM 0 H LEU A 67 -4.656 19.026 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.165 16.345 -0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.424 18.345 -0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.635 16.700 0.363 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.193 18.951 1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.723 17.660 3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.147 17.847 2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.265 16.301 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.464 17.597 2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.902 16.213 1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.227 17.689 0.906 1.00 0.00 H new ATOM 1060 N GLN A 68 -6.305 16.853 -2.860 1.00 0.00 N ATOM 1061 CA GLN A 68 -7.037 16.161 -3.909 1.00 0.00 C ATOM 1062 C GLN A 68 -6.063 15.398 -4.793 1.00 0.00 C ATOM 1063 O GLN A 68 -6.351 14.291 -5.250 1.00 0.00 O ATOM 1064 CB GLN A 68 -7.876 17.142 -4.740 1.00 0.00 C ATOM 1065 CG GLN A 68 -7.061 18.077 -5.622 1.00 0.00 C ATOM 1066 CD GLN A 68 -7.780 18.434 -6.907 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -8.964 18.771 -6.896 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -7.066 18.361 -8.025 1.00 0.00 N ATOM 0 H GLN A 68 -6.328 17.871 -2.921 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.726 15.454 -3.446 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.560 16.573 -5.370 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.487 17.741 -4.065 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.837 18.989 -5.069 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.107 17.607 -5.861 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.087 18.077 -7.987 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.497 18.589 -8.921 1.00 0.00 H new ATOM 1077 N GLU A 69 -4.895 15.995 -5.020 1.00 0.00 N ATOM 1078 CA GLU A 69 -3.870 15.369 -5.833 1.00 0.00 C ATOM 1079 C GLU A 69 -3.295 14.162 -5.107 1.00 0.00 C ATOM 1080 O GLU A 69 -2.958 13.155 -5.727 1.00 0.00 O ATOM 1081 CB GLU A 69 -2.759 16.370 -6.165 1.00 0.00 C ATOM 1082 CG GLU A 69 -2.535 16.555 -7.657 1.00 0.00 C ATOM 1083 CD GLU A 69 -2.059 17.951 -8.007 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -0.902 18.284 -7.675 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -2.843 18.712 -8.613 1.00 0.00 O ATOM 0 H GLU A 69 -4.641 16.911 -4.650 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.321 15.037 -6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.005 17.334 -5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.829 16.035 -5.705 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.801 15.827 -8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.464 16.348 -8.188 1.00 0.00 H new ATOM 1092 N LEU A 70 -3.198 14.263 -3.785 1.00 0.00 N ATOM 1093 CA LEU A 70 -2.681 13.164 -2.989 1.00 0.00 C ATOM 1094 C LEU A 70 -3.627 11.978 -3.076 1.00 0.00 C ATOM 1095 O LEU A 70 -3.207 10.852 -3.335 1.00 0.00 O ATOM 1096 CB LEU A 70 -2.500 13.596 -1.534 1.00 0.00 C ATOM 1097 CG LEU A 70 -1.111 14.133 -1.193 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -1.181 15.083 -0.009 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -0.154 12.984 -0.908 1.00 0.00 C ATOM 0 H LEU A 70 -3.469 15.088 -3.250 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.707 12.871 -3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.238 14.364 -1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.714 12.745 -0.888 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.734 14.689 -2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.182 15.455 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.833 15.921 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.578 14.555 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.831 13.383 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.526 12.401 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.081 12.344 -1.788 1.00 0.00 H new ATOM 1111 N ARG A 71 -4.911 12.241 -2.859 1.00 0.00 N ATOM 1112 CA ARG A 71 -5.925 11.196 -2.915 1.00 0.00 C ATOM 1113 C ARG A 71 -5.872 10.479 -4.258 1.00 0.00 C ATOM 1114 O ARG A 71 -5.829 9.250 -4.314 1.00 0.00 O ATOM 1115 CB ARG A 71 -7.316 11.792 -2.690 1.00 0.00 C ATOM 1116 CG ARG A 71 -8.249 10.883 -1.908 1.00 0.00 C ATOM 1117 CD ARG A 71 -9.150 10.080 -2.833 1.00 0.00 C ATOM 1118 NE ARG A 71 -10.534 10.057 -2.365 1.00 0.00 N ATOM 1119 CZ ARG A 71 -10.934 9.433 -1.260 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -10.059 8.783 -0.503 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -12.212 9.459 -0.910 1.00 0.00 N ATOM 0 H ARG A 71 -5.274 13.169 -2.643 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.722 10.474 -2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.215 12.738 -2.159 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.767 12.016 -3.657 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.663 10.203 -1.290 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.860 11.482 -1.233 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.113 10.507 -3.835 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.775 9.059 -2.907 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.236 10.549 -2.919 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.074 8.760 -0.767 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.371 8.306 0.343 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.889 9.957 -1.488 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.519 8.981 -0.063 1.00 0.00 H new ATOM 1135 N GLN A 72 -5.848 11.253 -5.342 1.00 0.00 N ATOM 1136 CA GLN A 72 -5.768 10.670 -6.675 1.00 0.00 C ATOM 1137 C GLN A 72 -4.439 9.938 -6.819 1.00 0.00 C ATOM 1138 O GLN A 72 -4.353 8.879 -7.446 1.00 0.00 O ATOM 1139 CB GLN A 72 -5.909 11.752 -7.754 1.00 0.00 C ATOM 1140 CG GLN A 72 -4.671 12.618 -7.929 1.00 0.00 C ATOM 1141 CD GLN A 72 -4.724 13.468 -9.182 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -5.792 13.917 -9.598 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -3.566 13.694 -9.793 1.00 0.00 N ATOM 0 H GLN A 72 -5.882 12.272 -5.322 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.588 9.964 -6.807 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.142 11.273 -8.705 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.755 12.392 -7.503 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.560 13.266 -7.060 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.788 11.980 -7.965 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.704 13.302 -9.413 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.539 14.259 -10.642 1.00 0.00 H new ATOM 1152 N GLU A 73 -3.406 10.516 -6.212 1.00 0.00 N ATOM 1153 CA GLU A 73 -2.074 9.936 -6.246 1.00 0.00 C ATOM 1154 C GLU A 73 -2.065 8.580 -5.555 1.00 0.00 C ATOM 1155 O GLU A 73 -1.405 7.649 -6.016 1.00 0.00 O ATOM 1156 CB GLU A 73 -1.064 10.871 -5.577 1.00 0.00 C ATOM 1157 CG GLU A 73 0.384 10.485 -5.833 1.00 0.00 C ATOM 1158 CD GLU A 73 0.903 11.020 -7.154 1.00 0.00 C ATOM 1159 OE1 GLU A 73 0.400 10.580 -8.210 1.00 0.00 O ATOM 1160 OE2 GLU A 73 1.810 11.878 -7.132 1.00 0.00 O ATOM 0 H GLU A 73 -3.470 11.390 -5.689 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.788 9.800 -7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.229 11.887 -5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.245 10.879 -4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.006 10.863 -5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.474 9.399 -5.824 1.00 0.00 H new ATOM 1167 N LEU A 74 -2.831 8.450 -4.471 1.00 0.00 N ATOM 1168 CA LEU A 74 -2.925 7.180 -3.770 1.00 0.00 C ATOM 1169 C LEU A 74 -3.652 6.172 -4.651 1.00 0.00 C ATOM 1170 O LEU A 74 -3.233 5.027 -4.791 1.00 0.00 O ATOM 1171 CB LEU A 74 -3.662 7.361 -2.436 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.846 8.048 -1.338 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -3.765 8.657 -0.290 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -1.878 7.066 -0.698 1.00 0.00 C ATOM 0 H LEU A 74 -3.388 9.203 -4.067 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.923 6.810 -3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.567 7.942 -2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.977 6.382 -2.076 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.267 8.852 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.166 9.141 0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.415 9.395 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.373 7.873 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.307 7.573 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.436 6.239 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.196 6.681 -1.456 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.757 6.627 -5.236 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.576 5.790 -6.109 1.00 0.00 C ATOM 1188 C ASN A 75 -4.729 5.159 -7.206 1.00 0.00 C ATOM 1189 O ASN A 75 -4.922 3.998 -7.567 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.705 6.616 -6.731 1.00 0.00 C ATOM 1191 CG ASN A 75 -7.603 7.247 -5.685 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -7.814 8.460 -5.682 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -8.138 6.425 -4.791 1.00 0.00 N ATOM 0 H ASN A 75 -5.108 7.578 -5.120 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.009 4.993 -5.505 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.277 7.398 -7.358 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.303 5.978 -7.382 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.752 6.792 -4.064 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.936 5.426 -4.831 1.00 0.00 H new ATOM 1200 N THR A 76 -3.778 5.929 -7.721 1.00 0.00 N ATOM 1201 CA THR A 76 -2.888 5.436 -8.766 1.00 0.00 C ATOM 1202 C THR A 76 -1.764 4.597 -8.160 1.00 0.00 C ATOM 1203 O THR A 76 -1.484 3.492 -8.617 1.00 0.00 O ATOM 1204 CB THR A 76 -2.306 6.596 -9.583 1.00 0.00 C ATOM 1205 OG1 THR A 76 -1.389 6.115 -10.549 1.00 0.00 O ATOM 1206 CG2 THR A 76 -1.585 7.629 -8.745 1.00 0.00 C ATOM 0 H THR A 76 -3.603 6.892 -7.434 1.00 0.00 H new ATOM 0 HA THR A 76 -3.472 4.806 -9.437 1.00 0.00 H new ATOM 0 HB THR A 76 -3.167 7.074 -10.051 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.029 6.868 -11.062 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.201 8.418 -9.391 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.278 8.058 -8.021 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.756 7.156 -8.218 1.00 0.00 H new ATOM 1214 N LEU A 77 -1.120 5.144 -7.134 1.00 0.00 N ATOM 1215 CA LEU A 77 -0.013 4.465 -6.460 1.00 0.00 C ATOM 1216 C LEU A 77 -0.415 3.086 -5.934 1.00 0.00 C ATOM 1217 O LEU A 77 0.396 2.160 -5.921 1.00 0.00 O ATOM 1218 CB LEU A 77 0.506 5.330 -5.307 1.00 0.00 C ATOM 1219 CG LEU A 77 1.839 6.032 -5.574 1.00 0.00 C ATOM 1220 CD1 LEU A 77 2.042 7.180 -4.597 1.00 0.00 C ATOM 1221 CD2 LEU A 77 2.990 5.042 -5.482 1.00 0.00 C ATOM 0 H LEU A 77 -1.346 6.061 -6.748 1.00 0.00 H new ATOM 0 HA LEU A 77 0.776 4.318 -7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.244 6.085 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.614 4.703 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 77 1.817 6.441 -6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.995 7.668 -4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.233 7.902 -4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.043 6.794 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.930 5.558 -5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.014 4.604 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.851 4.253 -6.221 1.00 0.00 H new ATOM 1233 N ALA A 78 -1.657 2.959 -5.480 1.00 0.00 N ATOM 1234 CA ALA A 78 -2.150 1.698 -4.927 1.00 0.00 C ATOM 1235 C ALA A 78 -2.429 0.651 -6.005 1.00 0.00 C ATOM 1236 O ALA A 78 -2.301 -0.548 -5.759 1.00 0.00 O ATOM 1237 CB ALA A 78 -3.404 1.947 -4.106 1.00 0.00 C ATOM 0 H ALA A 78 -2.343 3.714 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.362 1.297 -4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.765 1.003 -3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.174 2.631 -3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.174 2.385 -4.741 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.832 1.101 -7.189 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.149 0.185 -8.284 1.00 0.00 C ATOM 1245 C ASN A 79 -2.017 -0.817 -8.540 1.00 0.00 C ATOM 1246 O ASN A 79 -2.259 -2.020 -8.624 1.00 0.00 O ATOM 1247 CB ASN A 79 -3.440 0.974 -9.562 1.00 0.00 C ATOM 1248 CG ASN A 79 -4.443 0.273 -10.457 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -4.125 -0.112 -11.582 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -5.663 0.102 -9.961 1.00 0.00 N ATOM 0 H ASN A 79 -2.947 2.089 -7.416 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.034 -0.380 -7.991 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.820 1.961 -9.298 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.511 1.126 -10.111 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.379 -0.364 -10.518 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.884 0.437 -9.023 1.00 0.00 H new ATOM 1257 N PRO A 80 -0.766 -0.340 -8.677 1.00 0.00 N ATOM 1258 CA PRO A 80 0.386 -1.213 -8.933 1.00 0.00 C ATOM 1259 C PRO A 80 0.756 -2.084 -7.735 1.00 0.00 C ATOM 1260 O PRO A 80 1.229 -3.211 -7.903 1.00 0.00 O ATOM 1261 CB PRO A 80 1.517 -0.230 -9.243 1.00 0.00 C ATOM 1262 CG PRO A 80 1.126 1.024 -8.546 1.00 0.00 C ATOM 1263 CD PRO A 80 -0.374 1.079 -8.610 1.00 0.00 C ATOM 0 HA PRO A 80 0.177 -1.920 -9.736 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.476 -0.602 -8.882 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.621 -0.071 -10.316 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.473 1.021 -7.513 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.570 1.894 -9.029 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.796 1.571 -7.734 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.719 1.633 -9.483 1.00 0.00 H new ATOM 1271 N PHE A 81 0.541 -1.570 -6.525 1.00 0.00 N ATOM 1272 CA PHE A 81 0.860 -2.316 -5.314 1.00 0.00 C ATOM 1273 C PHE A 81 -0.029 -3.546 -5.183 1.00 0.00 C ATOM 1274 O PHE A 81 0.460 -4.666 -5.025 1.00 0.00 O ATOM 1275 CB PHE A 81 0.687 -1.407 -4.094 1.00 0.00 C ATOM 1276 CG PHE A 81 0.774 -2.115 -2.768 1.00 0.00 C ATOM 1277 CD1 PHE A 81 1.664 -3.159 -2.577 1.00 0.00 C ATOM 1278 CD2 PHE A 81 -0.034 -1.724 -1.711 1.00 0.00 C ATOM 1279 CE1 PHE A 81 1.748 -3.799 -1.355 1.00 0.00 C ATOM 1280 CE2 PHE A 81 0.045 -2.360 -0.488 1.00 0.00 C ATOM 1281 CZ PHE A 81 0.938 -3.399 -0.309 1.00 0.00 C ATOM 0 H PHE A 81 0.149 -0.643 -6.360 1.00 0.00 H new ATOM 0 HA PHE A 81 1.895 -2.653 -5.373 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.449 -0.629 -4.126 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.280 -0.909 -4.162 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.299 -3.476 -3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.733 -0.912 -1.846 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.446 -4.611 -1.217 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.590 -2.046 0.327 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.003 -3.898 0.647 1.00 0.00 H new ATOM 1291 N LEU A 82 -1.339 -3.331 -5.249 1.00 0.00 N ATOM 1292 CA LEU A 82 -2.297 -4.423 -5.137 1.00 0.00 C ATOM 1293 C LEU A 82 -2.023 -5.491 -6.187 1.00 0.00 C ATOM 1294 O LEU A 82 -2.258 -6.676 -5.954 1.00 0.00 O ATOM 1295 CB LEU A 82 -3.726 -3.897 -5.281 1.00 0.00 C ATOM 1296 CG LEU A 82 -4.167 -2.916 -4.192 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -5.603 -2.473 -4.424 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.019 -3.546 -2.814 1.00 0.00 C ATOM 0 H LEU A 82 -1.760 -2.411 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.186 -4.872 -4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.821 -3.407 -6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.411 -4.745 -5.284 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.524 -2.037 -4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.900 -1.776 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.680 -1.983 -5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.260 -3.343 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.337 -2.834 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.638 -4.441 -2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.976 -3.814 -2.647 1.00 0.00 H new ATOM 1310 N ALA A 83 -1.509 -5.070 -7.340 1.00 0.00 N ATOM 1311 CA ALA A 83 -1.192 -6.001 -8.412 1.00 0.00 C ATOM 1312 C ALA A 83 -0.009 -6.878 -8.021 1.00 0.00 C ATOM 1313 O ALA A 83 -0.043 -8.094 -8.192 1.00 0.00 O ATOM 1314 CB ALA A 83 -0.897 -5.248 -9.700 1.00 0.00 C ATOM 0 H ALA A 83 -1.305 -4.093 -7.553 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.056 -6.644 -8.580 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.662 -5.959 -10.492 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.770 -4.662 -9.987 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.048 -4.583 -9.546 1.00 0.00 H new ATOM 1320 N LYS A 84 1.034 -6.251 -7.483 1.00 0.00 N ATOM 1321 CA LYS A 84 2.222 -6.983 -7.056 1.00 0.00 C ATOM 1322 C LYS A 84 1.859 -8.043 -6.020 1.00 0.00 C ATOM 1323 O LYS A 84 2.350 -9.173 -6.068 1.00 0.00 O ATOM 1324 CB LYS A 84 3.260 -6.024 -6.470 1.00 0.00 C ATOM 1325 CG LYS A 84 4.128 -5.348 -7.519 1.00 0.00 C ATOM 1326 CD LYS A 84 5.365 -6.173 -7.837 1.00 0.00 C ATOM 1327 CE LYS A 84 6.487 -5.306 -8.386 1.00 0.00 C ATOM 1328 NZ LYS A 84 7.234 -5.989 -9.477 1.00 0.00 N ATOM 0 H LYS A 84 1.080 -5.243 -7.333 1.00 0.00 H new ATOM 0 HA LYS A 84 2.647 -7.476 -7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.747 -5.259 -5.888 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.901 -6.573 -5.780 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.548 -5.195 -8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.429 -4.362 -7.163 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.705 -6.683 -6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.112 -6.945 -8.563 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.072 -4.370 -8.761 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.175 -5.050 -7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.990 -5.365 -9.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.652 -6.869 -9.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.583 -6.211 -10.257 1.00 0.00 H new ATOM 1342 N TYR A 85 0.992 -7.671 -5.082 1.00 0.00 N ATOM 1343 CA TYR A 85 0.571 -8.596 -4.039 1.00 0.00 C ATOM 1344 C TYR A 85 -0.372 -9.654 -4.596 1.00 0.00 C ATOM 1345 O TYR A 85 -0.353 -10.803 -4.156 1.00 0.00 O ATOM 1346 CB TYR A 85 -0.081 -7.856 -2.872 1.00 0.00 C ATOM 1347 CG TYR A 85 0.351 -8.395 -1.527 1.00 0.00 C ATOM 1348 CD1 TYR A 85 1.692 -8.396 -1.161 1.00 0.00 C ATOM 1349 CD2 TYR A 85 -0.574 -8.915 -0.631 1.00 0.00 C ATOM 1350 CE1 TYR A 85 2.099 -8.900 0.059 1.00 0.00 C ATOM 1351 CE2 TYR A 85 -0.176 -9.417 0.593 1.00 0.00 C ATOM 1352 CZ TYR A 85 1.161 -9.408 0.932 1.00 0.00 C ATOM 1353 OH TYR A 85 1.564 -9.913 2.147 1.00 0.00 O ATOM 0 H TYR A 85 0.572 -6.743 -5.024 1.00 0.00 H new ATOM 0 HA TYR A 85 1.463 -9.097 -3.664 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.170 -6.797 -2.932 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.165 -7.932 -2.959 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.428 -7.996 -1.842 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.621 -8.927 -0.895 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.145 -8.896 0.327 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.908 -9.814 1.281 1.00 0.00 H new ATOM 0 HH TYR A 85 2.371 -9.444 2.445 1.00 0.00 H new ATOM 1363 N ARG A 86 -1.185 -9.275 -5.578 1.00 0.00 N ATOM 1364 CA ARG A 86 -2.106 -10.225 -6.189 1.00 0.00 C ATOM 1365 C ARG A 86 -1.307 -11.336 -6.865 1.00 0.00 C ATOM 1366 O ARG A 86 -1.664 -12.512 -6.788 1.00 0.00 O ATOM 1367 CB ARG A 86 -3.055 -9.518 -7.176 1.00 0.00 C ATOM 1368 CG ARG A 86 -2.575 -9.474 -8.622 1.00 0.00 C ATOM 1369 CD ARG A 86 -3.230 -10.561 -9.461 1.00 0.00 C ATOM 1370 NE ARG A 86 -4.348 -10.047 -10.251 1.00 0.00 N ATOM 1371 CZ ARG A 86 -4.221 -9.146 -11.224 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -3.029 -8.646 -11.524 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -5.290 -8.745 -11.899 1.00 0.00 N ATOM 0 H ARG A 86 -1.225 -8.331 -5.962 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.733 -10.670 -5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.022 -10.019 -7.147 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.215 -8.496 -6.832 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.799 -8.497 -9.051 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.492 -9.594 -8.651 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.488 -11.001 -10.127 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.584 -11.358 -8.808 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.282 -10.400 -10.044 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.203 -8.951 -11.009 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.938 -7.956 -12.270 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.209 -9.126 -11.673 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.194 -8.055 -12.644 1.00 0.00 H new ATOM 1387 N ASP A 87 -0.201 -10.950 -7.499 1.00 0.00 N ATOM 1388 CA ASP A 87 0.678 -11.903 -8.159 1.00 0.00 C ATOM 1389 C ASP A 87 1.453 -12.706 -7.119 1.00 0.00 C ATOM 1390 O ASP A 87 1.762 -13.877 -7.325 1.00 0.00 O ATOM 1391 CB ASP A 87 1.648 -11.178 -9.093 1.00 0.00 C ATOM 1392 CG ASP A 87 0.982 -10.721 -10.376 1.00 0.00 C ATOM 1393 OD1 ASP A 87 0.907 -11.529 -11.326 1.00 0.00 O ATOM 1394 OD2 ASP A 87 0.535 -9.557 -10.432 1.00 0.00 O ATOM 0 H ASP A 87 0.105 -9.979 -7.567 1.00 0.00 H new ATOM 0 HA ASP A 87 0.069 -12.585 -8.753 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.068 -10.314 -8.577 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.479 -11.840 -9.334 1.00 0.00 H new ATOM 1399 N PHE A 88 1.754 -12.062 -5.994 1.00 0.00 N ATOM 1400 CA PHE A 88 2.482 -12.704 -4.904 1.00 0.00 C ATOM 1401 C PHE A 88 1.601 -13.738 -4.200 1.00 0.00 C ATOM 1402 O PHE A 88 2.094 -14.732 -3.668 1.00 0.00 O ATOM 1403 CB PHE A 88 2.955 -11.651 -3.898 1.00 0.00 C ATOM 1404 CG PHE A 88 3.982 -12.160 -2.926 1.00 0.00 C ATOM 1405 CD1 PHE A 88 5.032 -12.956 -3.355 1.00 0.00 C ATOM 1406 CD2 PHE A 88 3.899 -11.836 -1.582 1.00 0.00 C ATOM 1407 CE1 PHE A 88 5.979 -13.421 -2.461 1.00 0.00 C ATOM 1408 CE2 PHE A 88 4.841 -12.297 -0.682 1.00 0.00 C ATOM 1409 CZ PHE A 88 5.883 -13.090 -1.123 1.00 0.00 C ATOM 0 H PHE A 88 1.503 -11.090 -5.814 1.00 0.00 H new ATOM 0 HA PHE A 88 3.349 -13.215 -5.323 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.372 -10.803 -4.442 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.094 -11.281 -3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.112 -13.216 -4.400 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.087 -11.215 -1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.792 -14.042 -2.808 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.763 -12.038 0.364 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.622 -13.451 -0.423 1.00 0.00 H new ATOM 1419 N LEU A 89 0.293 -13.497 -4.222 1.00 0.00 N ATOM 1420 CA LEU A 89 -0.666 -14.411 -3.604 1.00 0.00 C ATOM 1421 C LEU A 89 -0.910 -15.620 -4.507 1.00 0.00 C ATOM 1422 O LEU A 89 -0.949 -16.762 -4.049 1.00 0.00 O ATOM 1423 CB LEU A 89 -1.992 -13.686 -3.341 1.00 0.00 C ATOM 1424 CG LEU A 89 -2.151 -13.068 -1.946 1.00 0.00 C ATOM 1425 CD1 LEU A 89 -0.821 -12.544 -1.424 1.00 0.00 C ATOM 1426 CD2 LEU A 89 -3.185 -11.952 -1.981 1.00 0.00 C ATOM 0 H LEU A 89 -0.128 -12.678 -4.660 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.252 -14.756 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.105 -12.895 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.808 -14.391 -3.500 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.495 -13.847 -1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.964 -12.112 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.106 -13.364 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.440 -11.780 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.289 -11.521 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.863 -11.179 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.145 -12.355 -2.304 1.00 0.00 H new ATOM 1438 N LYS A 90 -1.095 -15.340 -5.791 1.00 0.00 N ATOM 1439 CA LYS A 90 -1.366 -16.377 -6.784 1.00 0.00 C ATOM 1440 C LYS A 90 -0.106 -17.151 -7.161 1.00 0.00 C ATOM 1441 O LYS A 90 -0.146 -18.367 -7.341 1.00 0.00 O ATOM 1442 CB LYS A 90 -1.982 -15.755 -8.037 1.00 0.00 C ATOM 1443 CG LYS A 90 -3.436 -15.349 -7.863 1.00 0.00 C ATOM 1444 CD LYS A 90 -4.358 -16.181 -8.740 1.00 0.00 C ATOM 1445 CE LYS A 90 -5.682 -15.476 -8.989 1.00 0.00 C ATOM 1446 NZ LYS A 90 -5.941 -15.280 -10.442 1.00 0.00 N ATOM 0 H LYS A 90 -1.062 -14.395 -6.174 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.068 -17.081 -6.337 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.400 -14.878 -8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.908 -16.466 -8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.724 -15.465 -6.818 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.552 -14.294 -8.110 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.869 -16.384 -9.693 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.542 -17.144 -8.264 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.492 -16.059 -8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.678 -14.509 -8.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.853 -14.796 -10.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.181 -14.702 -10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.970 -16.205 -10.917 1.00 0.00 H new ATOM 1460 N SER A 91 1.004 -16.439 -7.298 1.00 0.00 N ATOM 1461 CA SER A 91 2.270 -17.059 -7.676 1.00 0.00 C ATOM 1462 C SER A 91 2.857 -17.897 -6.543 1.00 0.00 C ATOM 1463 O SER A 91 3.789 -18.671 -6.761 1.00 0.00 O ATOM 1464 CB SER A 91 3.277 -15.991 -8.106 1.00 0.00 C ATOM 1465 OG SER A 91 2.762 -15.202 -9.164 1.00 0.00 O ATOM 0 H SER A 91 1.055 -15.431 -7.153 1.00 0.00 H new ATOM 0 HA SER A 91 2.066 -17.727 -8.513 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.520 -15.352 -7.257 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.205 -16.468 -8.422 1.00 0.00 H new ATOM 0 HG SER A 91 2.542 -14.308 -8.828 1.00 0.00 H new ATOM 1471 N HIS A 92 2.323 -17.744 -5.335 1.00 0.00 N ATOM 1472 CA HIS A 92 2.824 -18.500 -4.191 1.00 0.00 C ATOM 1473 C HIS A 92 2.728 -20.001 -4.453 1.00 0.00 C ATOM 1474 O HIS A 92 1.641 -20.578 -4.434 1.00 0.00 O ATOM 1475 CB HIS A 92 2.043 -18.135 -2.927 1.00 0.00 C ATOM 1476 CG HIS A 92 2.740 -17.132 -2.061 1.00 0.00 C ATOM 1477 ND1 HIS A 92 4.108 -17.110 -1.885 1.00 0.00 N ATOM 1478 CD2 HIS A 92 2.252 -16.108 -1.320 1.00 0.00 C ATOM 1479 CE1 HIS A 92 4.429 -16.119 -1.072 1.00 0.00 C ATOM 1480 NE2 HIS A 92 3.322 -15.495 -0.716 1.00 0.00 N ATOM 0 H HIS A 92 1.552 -17.111 -5.123 1.00 0.00 H new ATOM 0 HA HIS A 92 3.872 -18.241 -4.043 1.00 0.00 H new ATOM 0 HB2 HIS A 92 1.068 -17.740 -3.213 1.00 0.00 H new ATOM 0 HB3 HIS A 92 1.863 -19.040 -2.347 1.00 0.00 H new ATOM 0 HD1 HIS A 92 4.768 -17.757 -2.315 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.214 -15.826 -1.222 1.00 0.00 H new ATOM 0 HE1 HIS A 92 5.428 -15.863 -0.753 1.00 0.00 H new ATOM 1489 N GLU A 93 3.873 -20.617 -4.732 1.00 0.00 N ATOM 1490 CA GLU A 93 3.933 -22.042 -5.042 1.00 0.00 C ATOM 1491 C GLU A 93 3.214 -22.894 -4.000 1.00 0.00 C ATOM 1492 O GLU A 93 3.322 -22.662 -2.795 1.00 0.00 O ATOM 1493 CB GLU A 93 5.389 -22.492 -5.159 1.00 0.00 C ATOM 1494 CG GLU A 93 5.930 -22.431 -6.577 1.00 0.00 C ATOM 1495 CD GLU A 93 6.844 -21.243 -6.800 1.00 0.00 C ATOM 1496 OE1 GLU A 93 6.401 -20.100 -6.557 1.00 0.00 O ATOM 1497 OE2 GLU A 93 8.001 -21.454 -7.219 1.00 0.00 O ATOM 0 H GLU A 93 4.778 -20.147 -4.750 1.00 0.00 H new ATOM 0 HA GLU A 93 3.421 -22.186 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.007 -21.866 -4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.476 -23.514 -4.789 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.475 -23.350 -6.794 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.097 -22.381 -7.278 1.00 0.00 H new ATOM 1504 N LEU A 94 2.484 -23.889 -4.493 1.00 0.00 N ATOM 1505 CA LEU A 94 1.737 -24.803 -3.638 1.00 0.00 C ATOM 1506 C LEU A 94 0.674 -24.057 -2.839 1.00 0.00 C ATOM 1507 O LEU A 94 0.230 -24.591 -1.802 1.00 0.00 O ATOM 1508 CB LEU A 94 2.688 -25.535 -2.689 1.00 0.00 C ATOM 1509 CG LEU A 94 3.950 -26.101 -3.346 1.00 0.00 C ATOM 1510 CD1 LEU A 94 5.170 -25.275 -2.967 1.00 0.00 C ATOM 1511 CD2 LEU A 94 4.151 -27.558 -2.954 1.00 0.00 C ATOM 1512 OXT LEU A 94 0.295 -22.942 -3.258 1.00 0.00 O ATOM 0 H LEU A 94 2.394 -24.083 -5.490 1.00 0.00 H new ATOM 0 HA LEU A 94 1.237 -25.532 -4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.986 -24.848 -1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.146 -26.353 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 94 3.823 -26.049 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.056 -25.694 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.031 -24.246 -3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.299 -25.292 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.053 -27.942 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.253 -27.633 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.291 -28.144 -3.279 1.00 0.00 H new TER 1524 LEU A 94