USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 682 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 43 SER OG : rot -164:sc= 0.147 USER MOD Set 1.2: A 58 GLN : amide:sc= -1.31 K(o=-2.7,f=-1.8) USER MOD Set 1.3: A 62 TYR OH : rot 110:sc= -1.56 USER MOD Single : A 1 MET CE :methyl 128:sc= -0.153 (180deg=-0.986) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -3 GLY N :NH3+ -176:sc= 0 (180deg=-0.0181) USER MOD Single : A 10 SER OG : rot 114:sc= 1.24 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 123:sc= -0.267 USER MOD Single : A 17 LYS NZ :NH3+ 150:sc= 1.05 (180deg=-0.187) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -95:sc= -0.254 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 170:sc= -0.319 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 2:sc= 1.72 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00046 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc=-0.00336 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 64 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 70 SER OG : rot 180:sc= -0.0626 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.268 K(o=-0.27,f=-3.8!) USER MOD Single : A 80 ASN : amide:sc= -0.0844 X(o=-0.084,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 64.978 -7.415 27.527 1.00 0.00 N ATOM 2 CA GLY A -3 65.527 -6.491 26.493 1.00 0.00 C ATOM 3 C GLY A -3 64.609 -5.275 26.356 1.00 0.00 C ATOM 4 O GLY A -3 65.067 -4.148 26.298 1.00 0.00 O ATOM 0 H1 GLY A -3 65.636 -8.208 27.669 1.00 0.00 H new ATOM 0 H2 GLY A -3 64.857 -6.901 28.423 1.00 0.00 H new ATOM 0 H3 GLY A -3 64.057 -7.782 27.211 1.00 0.00 H new ATOM 0 HA2 GLY A -3 66.531 -6.172 26.772 1.00 0.00 H new ATOM 0 HA3 GLY A -3 65.610 -7.007 25.536 1.00 0.00 H new ATOM 10 N ALA A -2 63.318 -5.497 26.304 1.00 0.00 N ATOM 11 CA ALA A -2 62.358 -4.361 26.170 1.00 0.00 C ATOM 12 C ALA A -2 61.697 -4.063 27.519 1.00 0.00 C ATOM 13 O ALA A -2 61.434 -4.960 28.300 1.00 0.00 O ATOM 14 CB ALA A -2 61.318 -4.839 25.156 1.00 0.00 C ATOM 0 H ALA A -2 62.888 -6.421 26.349 1.00 0.00 H new ATOM 0 HA ALA A -2 62.848 -3.442 25.849 1.00 0.00 H new ATOM 0 HB1 ALA A -2 60.574 -4.057 25.002 1.00 0.00 H new ATOM 0 HB2 ALA A -2 61.809 -5.064 24.209 1.00 0.00 H new ATOM 0 HB3 ALA A -2 60.828 -5.737 25.533 1.00 0.00 H new ATOM 20 N MET A -1 61.428 -2.809 27.795 1.00 0.00 N ATOM 21 CA MET A -1 60.778 -2.440 29.095 1.00 0.00 C ATOM 22 C MET A -1 59.350 -2.995 29.151 1.00 0.00 C ATOM 23 O MET A -1 58.877 -3.400 30.198 1.00 0.00 O ATOM 24 CB MET A -1 60.757 -0.909 29.120 1.00 0.00 C ATOM 25 CG MET A -1 60.334 -0.424 30.509 1.00 0.00 C ATOM 26 SD MET A -1 61.738 -0.552 31.645 1.00 0.00 S ATOM 27 CE MET A -1 60.783 -0.830 33.157 1.00 0.00 C ATOM 0 H MET A -1 61.630 -2.024 27.176 1.00 0.00 H new ATOM 0 HA MET A -1 61.315 -2.851 29.950 1.00 0.00 H new ATOM 0 HB2 MET A -1 61.744 -0.518 28.872 1.00 0.00 H new ATOM 0 HB3 MET A -1 60.066 -0.532 28.366 1.00 0.00 H new ATOM 0 HG2 MET A -1 59.988 0.608 30.456 1.00 0.00 H new ATOM 0 HG3 MET A -1 59.499 -1.021 30.876 1.00 0.00 H new ATOM 0 HE1 MET A -1 61.463 -0.939 34.002 1.00 0.00 H new ATOM 0 HE2 MET A -1 60.122 0.019 33.331 1.00 0.00 H new ATOM 0 HE3 MET A -1 60.189 -1.737 33.050 1.00 0.00 H new ATOM 37 N ALA A 0 58.668 -3.016 28.032 1.00 0.00 N ATOM 38 CA ALA A 0 57.270 -3.545 28.006 1.00 0.00 C ATOM 39 C ALA A 0 57.040 -4.367 26.735 1.00 0.00 C ATOM 40 O ALA A 0 56.724 -5.542 26.797 1.00 0.00 O ATOM 41 CB ALA A 0 56.377 -2.304 28.012 1.00 0.00 C ATOM 0 H ALA A 0 59.021 -2.688 27.133 1.00 0.00 H new ATOM 0 HA ALA A 0 57.060 -4.201 28.851 1.00 0.00 H new ATOM 0 HB1 ALA A 0 55.331 -2.609 27.994 1.00 0.00 H new ATOM 0 HB2 ALA A 0 56.570 -1.721 28.913 1.00 0.00 H new ATOM 0 HB3 ALA A 0 56.593 -1.696 27.134 1.00 0.00 H new ATOM 47 N MET A 1 57.196 -3.756 25.586 1.00 0.00 N ATOM 48 CA MET A 1 56.993 -4.492 24.299 1.00 0.00 C ATOM 49 C MET A 1 58.336 -4.697 23.592 1.00 0.00 C ATOM 50 O MET A 1 59.140 -3.788 23.495 1.00 0.00 O ATOM 51 CB MET A 1 56.081 -3.591 23.466 1.00 0.00 C ATOM 52 CG MET A 1 54.698 -3.517 24.118 1.00 0.00 C ATOM 53 SD MET A 1 53.570 -2.600 23.037 1.00 0.00 S ATOM 54 CE MET A 1 53.384 -3.877 21.769 1.00 0.00 C ATOM 0 H MET A 1 57.456 -2.775 25.484 1.00 0.00 H new ATOM 0 HA MET A 1 56.559 -5.480 24.452 1.00 0.00 H new ATOM 0 HB2 MET A 1 56.512 -2.593 23.389 1.00 0.00 H new ATOM 0 HB3 MET A 1 55.996 -3.981 22.452 1.00 0.00 H new ATOM 0 HG2 MET A 1 54.313 -4.521 24.295 1.00 0.00 H new ATOM 0 HG3 MET A 1 54.768 -3.027 25.089 1.00 0.00 H new ATOM 0 HE1 MET A 1 52.325 -4.061 21.590 1.00 0.00 H new ATOM 0 HE2 MET A 1 53.855 -3.543 20.845 1.00 0.00 H new ATOM 0 HE3 MET A 1 53.860 -4.797 22.107 1.00 0.00 H new ATOM 64 N SER A 2 58.579 -5.887 23.097 1.00 0.00 N ATOM 65 CA SER A 2 59.871 -6.169 22.397 1.00 0.00 C ATOM 66 C SER A 2 59.645 -6.318 20.887 1.00 0.00 C ATOM 67 O SER A 2 60.374 -7.024 20.214 1.00 0.00 O ATOM 68 CB SER A 2 60.365 -7.484 22.997 1.00 0.00 C ATOM 69 OG SER A 2 59.495 -8.538 22.602 1.00 0.00 O ATOM 0 H SER A 2 57.936 -6.677 23.148 1.00 0.00 H new ATOM 0 HA SER A 2 60.592 -5.362 22.527 1.00 0.00 H new ATOM 0 HB2 SER A 2 61.381 -7.691 22.661 1.00 0.00 H new ATOM 0 HB3 SER A 2 60.397 -7.412 24.084 1.00 0.00 H new ATOM 0 HG SER A 2 59.811 -9.383 22.984 1.00 0.00 H new ATOM 75 N GLY A 3 58.643 -5.660 20.354 1.00 0.00 N ATOM 76 CA GLY A 3 58.358 -5.769 18.892 1.00 0.00 C ATOM 77 C GLY A 3 57.655 -4.499 18.411 1.00 0.00 C ATOM 78 O GLY A 3 56.773 -4.550 17.573 1.00 0.00 O ATOM 0 H GLY A 3 58.010 -5.051 20.872 1.00 0.00 H new ATOM 0 HA2 GLY A 3 59.287 -5.914 18.340 1.00 0.00 H new ATOM 0 HA3 GLY A 3 57.732 -6.640 18.697 1.00 0.00 H new ATOM 82 N GLY A 4 58.041 -3.361 18.936 1.00 0.00 N ATOM 83 CA GLY A 4 57.395 -2.078 18.526 1.00 0.00 C ATOM 84 C GLY A 4 58.203 -1.434 17.398 1.00 0.00 C ATOM 85 O GLY A 4 57.700 -1.219 16.310 1.00 0.00 O ATOM 0 H GLY A 4 58.779 -3.267 19.634 1.00 0.00 H new ATOM 0 HA2 GLY A 4 56.373 -2.263 18.195 1.00 0.00 H new ATOM 0 HA3 GLY A 4 57.336 -1.400 19.378 1.00 0.00 H new ATOM 89 N LEU A 5 59.452 -1.126 17.651 1.00 0.00 N ATOM 90 CA LEU A 5 60.299 -0.473 16.603 1.00 0.00 C ATOM 91 C LEU A 5 60.822 -1.524 15.610 1.00 0.00 C ATOM 92 O LEU A 5 60.969 -2.678 15.969 1.00 0.00 O ATOM 93 CB LEU A 5 61.462 0.169 17.364 1.00 0.00 C ATOM 94 CG LEU A 5 60.983 1.457 18.036 1.00 0.00 C ATOM 95 CD1 LEU A 5 61.952 1.839 19.157 1.00 0.00 C ATOM 96 CD2 LEU A 5 60.934 2.583 17.001 1.00 0.00 C ATOM 0 H LEU A 5 59.922 -1.299 18.539 1.00 0.00 H new ATOM 0 HA LEU A 5 59.739 0.262 16.025 1.00 0.00 H new ATOM 0 HB2 LEU A 5 61.847 -0.523 18.113 1.00 0.00 H new ATOM 0 HB3 LEU A 5 62.282 0.386 16.680 1.00 0.00 H new ATOM 0 HG LEU A 5 59.988 1.301 18.453 1.00 0.00 H new ATOM 0 HD11 LEU A 5 61.611 2.757 19.636 1.00 0.00 H new ATOM 0 HD12 LEU A 5 61.990 1.037 19.894 1.00 0.00 H new ATOM 0 HD13 LEU A 5 62.947 1.995 18.740 1.00 0.00 H new ATOM 0 HD21 LEU A 5 60.593 3.502 17.478 1.00 0.00 H new ATOM 0 HD22 LEU A 5 61.929 2.738 16.585 1.00 0.00 H new ATOM 0 HD23 LEU A 5 60.245 2.312 16.201 1.00 0.00 H new ATOM 108 N PRO A 6 61.089 -1.097 14.389 1.00 0.00 N ATOM 109 CA PRO A 6 61.623 -2.032 13.362 1.00 0.00 C ATOM 110 C PRO A 6 63.055 -2.447 13.715 1.00 0.00 C ATOM 111 O PRO A 6 63.756 -1.742 14.418 1.00 0.00 O ATOM 112 CB PRO A 6 61.595 -1.217 12.069 1.00 0.00 C ATOM 113 CG PRO A 6 61.585 0.214 12.503 1.00 0.00 C ATOM 114 CD PRO A 6 60.926 0.266 13.855 1.00 0.00 C ATOM 0 HA PRO A 6 61.046 -2.954 13.285 1.00 0.00 H new ATOM 0 HB2 PRO A 6 62.465 -1.434 11.449 1.00 0.00 H new ATOM 0 HB3 PRO A 6 60.713 -1.454 11.474 1.00 0.00 H new ATOM 0 HG2 PRO A 6 62.600 0.607 12.555 1.00 0.00 H new ATOM 0 HG3 PRO A 6 61.041 0.829 11.786 1.00 0.00 H new ATOM 0 HD2 PRO A 6 61.399 1.006 14.501 1.00 0.00 H new ATOM 0 HD3 PRO A 6 59.874 0.539 13.775 1.00 0.00 H new ATOM 122 N GLU A 7 63.490 -3.587 13.232 1.00 0.00 N ATOM 123 CA GLU A 7 64.885 -4.056 13.527 1.00 0.00 C ATOM 124 C GLU A 7 65.912 -3.105 12.902 1.00 0.00 C ATOM 125 O GLU A 7 66.140 -3.127 11.707 1.00 0.00 O ATOM 126 CB GLU A 7 64.991 -5.443 12.885 1.00 0.00 C ATOM 127 CG GLU A 7 64.060 -6.417 13.612 1.00 0.00 C ATOM 128 CD GLU A 7 64.242 -7.830 13.047 1.00 0.00 C ATOM 129 OE1 GLU A 7 64.444 -7.952 11.849 1.00 0.00 O ATOM 130 OE2 GLU A 7 64.176 -8.768 13.824 1.00 0.00 O ATOM 0 H GLU A 7 62.940 -4.214 12.646 1.00 0.00 H new ATOM 0 HA GLU A 7 65.084 -4.085 14.598 1.00 0.00 H new ATOM 0 HB2 GLU A 7 64.724 -5.388 11.830 1.00 0.00 H new ATOM 0 HB3 GLU A 7 66.019 -5.801 12.935 1.00 0.00 H new ATOM 0 HG2 GLU A 7 64.276 -6.412 14.680 1.00 0.00 H new ATOM 0 HG3 GLU A 7 63.024 -6.100 13.495 1.00 0.00 H new ATOM 137 N LEU A 8 66.529 -2.273 13.707 1.00 0.00 N ATOM 138 CA LEU A 8 67.548 -1.309 13.171 1.00 0.00 C ATOM 139 C LEU A 8 68.760 -2.059 12.608 1.00 0.00 C ATOM 140 O LEU A 8 69.100 -3.134 13.066 1.00 0.00 O ATOM 141 CB LEU A 8 67.972 -0.458 14.375 1.00 0.00 C ATOM 142 CG LEU A 8 66.780 0.363 14.875 1.00 0.00 C ATOM 143 CD1 LEU A 8 67.126 0.996 16.223 1.00 0.00 C ATOM 144 CD2 LEU A 8 66.460 1.467 13.864 1.00 0.00 C ATOM 0 H LEU A 8 66.372 -2.218 14.713 1.00 0.00 H new ATOM 0 HA LEU A 8 67.141 -0.705 12.360 1.00 0.00 H new ATOM 0 HB2 LEU A 8 68.343 -1.100 15.173 1.00 0.00 H new ATOM 0 HB3 LEU A 8 68.790 0.205 14.093 1.00 0.00 H new ATOM 0 HG LEU A 8 65.914 -0.289 14.990 1.00 0.00 H new ATOM 0 HD11 LEU A 8 66.278 1.580 16.579 1.00 0.00 H new ATOM 0 HD12 LEU A 8 67.355 0.212 16.945 1.00 0.00 H new ATOM 0 HD13 LEU A 8 67.992 1.647 16.107 1.00 0.00 H new ATOM 0 HD21 LEU A 8 65.612 2.051 14.220 1.00 0.00 H new ATOM 0 HD22 LEU A 8 67.327 2.118 13.750 1.00 0.00 H new ATOM 0 HD23 LEU A 8 66.214 1.019 12.902 1.00 0.00 H new ATOM 156 N GLY A 9 69.410 -1.495 11.618 1.00 0.00 N ATOM 157 CA GLY A 9 70.632 -2.141 11.044 1.00 0.00 C ATOM 158 C GLY A 9 70.275 -3.243 10.033 1.00 0.00 C ATOM 159 O GLY A 9 71.153 -3.846 9.445 1.00 0.00 O ATOM 0 H GLY A 9 69.145 -0.612 11.182 1.00 0.00 H new ATOM 0 HA2 GLY A 9 71.247 -1.385 10.556 1.00 0.00 H new ATOM 0 HA3 GLY A 9 71.230 -2.567 11.850 1.00 0.00 H new ATOM 163 N SER A 10 69.003 -3.515 9.822 1.00 0.00 N ATOM 164 CA SER A 10 68.608 -4.585 8.845 1.00 0.00 C ATOM 165 C SER A 10 69.086 -4.226 7.434 1.00 0.00 C ATOM 166 O SER A 10 69.160 -3.065 7.077 1.00 0.00 O ATOM 167 CB SER A 10 67.080 -4.632 8.889 1.00 0.00 C ATOM 168 OG SER A 10 66.661 -5.090 10.168 1.00 0.00 O ATOM 0 H SER A 10 68.225 -3.043 10.283 1.00 0.00 H new ATOM 0 HA SER A 10 69.053 -5.547 9.099 1.00 0.00 H new ATOM 0 HB2 SER A 10 66.668 -3.642 8.692 1.00 0.00 H new ATOM 0 HB3 SER A 10 66.702 -5.295 8.111 1.00 0.00 H new ATOM 0 HG SER A 10 66.187 -4.370 10.634 1.00 0.00 H new ATOM 174 N LYS A 11 69.411 -5.214 6.635 1.00 0.00 N ATOM 175 CA LYS A 11 69.851 -4.937 5.232 1.00 0.00 C ATOM 176 C LYS A 11 68.632 -4.726 4.320 1.00 0.00 C ATOM 177 O LYS A 11 67.753 -5.568 4.236 1.00 0.00 O ATOM 178 CB LYS A 11 70.674 -6.166 4.801 1.00 0.00 C ATOM 179 CG LYS A 11 69.792 -7.422 4.721 1.00 0.00 C ATOM 180 CD LYS A 11 70.679 -8.660 4.571 1.00 0.00 C ATOM 181 CE LYS A 11 71.283 -8.692 3.165 1.00 0.00 C ATOM 182 NZ LYS A 11 71.935 -10.026 3.057 1.00 0.00 N ATOM 0 H LYS A 11 69.390 -6.200 6.894 1.00 0.00 H new ATOM 0 HA LYS A 11 70.446 -4.027 5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 11 71.133 -5.978 3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 11 71.485 -6.332 5.511 1.00 0.00 H new ATOM 0 HG2 LYS A 11 69.180 -7.507 5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 11 69.109 -7.346 3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 11 71.472 -8.644 5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 11 70.094 -9.563 4.747 1.00 0.00 H new ATOM 0 HE2 LYS A 11 70.515 -8.565 2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 11 72.005 -7.887 3.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 72.373 -10.124 2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 72.666 -10.115 3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 71.222 -10.772 3.186 1.00 0.00 H new ATOM 196 N ILE A 12 68.577 -3.606 3.640 1.00 0.00 N ATOM 197 CA ILE A 12 67.415 -3.321 2.741 1.00 0.00 C ATOM 198 C ILE A 12 67.900 -3.118 1.300 1.00 0.00 C ATOM 199 O ILE A 12 68.966 -2.574 1.063 1.00 0.00 O ATOM 200 CB ILE A 12 66.774 -2.035 3.291 1.00 0.00 C ATOM 201 CG1 ILE A 12 66.306 -2.270 4.734 1.00 0.00 C ATOM 202 CG2 ILE A 12 65.564 -1.648 2.429 1.00 0.00 C ATOM 203 CD1 ILE A 12 65.881 -0.940 5.362 1.00 0.00 C ATOM 0 H ILE A 12 69.288 -2.876 3.669 1.00 0.00 H new ATOM 0 HA ILE A 12 66.700 -4.144 2.721 1.00 0.00 H new ATOM 0 HB ILE A 12 67.511 -1.232 3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 12 65.472 -2.972 4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 12 67.109 -2.719 5.318 1.00 0.00 H new ATOM 0 HG21 ILE A 12 65.113 -0.737 2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 12 65.888 -1.478 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 12 64.830 -2.454 2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 12 65.549 -1.111 6.386 1.00 0.00 H new ATOM 0 HD12 ILE A 12 66.726 -0.252 5.364 1.00 0.00 H new ATOM 0 HD13 ILE A 12 65.064 -0.509 4.783 1.00 0.00 H new ATOM 215 N SER A 13 67.115 -3.558 0.345 1.00 0.00 N ATOM 216 CA SER A 13 67.441 -3.319 -1.090 1.00 0.00 C ATOM 217 C SER A 13 66.562 -2.187 -1.629 1.00 0.00 C ATOM 218 O SER A 13 65.379 -2.128 -1.353 1.00 0.00 O ATOM 219 CB SER A 13 67.121 -4.635 -1.797 1.00 0.00 C ATOM 220 OG SER A 13 67.511 -4.542 -3.162 1.00 0.00 O ATOM 0 H SER A 13 66.253 -4.079 0.505 1.00 0.00 H new ATOM 0 HA SER A 13 68.480 -3.026 -1.243 1.00 0.00 H new ATOM 0 HB2 SER A 13 67.645 -5.458 -1.312 1.00 0.00 H new ATOM 0 HB3 SER A 13 66.055 -4.850 -1.725 1.00 0.00 H new ATOM 0 HG SER A 13 67.309 -5.385 -3.618 1.00 0.00 H new ATOM 226 N LEU A 14 67.135 -1.294 -2.395 1.00 0.00 N ATOM 227 CA LEU A 14 66.418 -0.038 -2.769 1.00 0.00 C ATOM 228 C LEU A 14 66.545 0.216 -4.275 1.00 0.00 C ATOM 229 O LEU A 14 67.636 0.257 -4.810 1.00 0.00 O ATOM 230 CB LEU A 14 67.140 1.048 -1.970 1.00 0.00 C ATOM 231 CG LEU A 14 66.255 2.288 -1.842 1.00 0.00 C ATOM 232 CD1 LEU A 14 65.067 1.982 -0.927 1.00 0.00 C ATOM 233 CD2 LEU A 14 67.077 3.429 -1.237 1.00 0.00 C ATOM 0 H LEU A 14 68.075 -1.382 -2.780 1.00 0.00 H new ATOM 0 HA LEU A 14 65.350 -0.074 -2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 14 67.396 0.671 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 14 68.076 1.310 -2.463 1.00 0.00 H new ATOM 0 HG LEU A 14 65.887 2.576 -2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.438 2.868 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 14 64.483 1.164 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 14 65.432 1.696 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 14 66.452 4.317 -1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 14 67.439 3.134 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 14 67.925 3.649 -1.885 1.00 0.00 H new ATOM 245 N ILE A 15 65.439 0.387 -4.961 1.00 0.00 N ATOM 246 CA ILE A 15 65.488 0.611 -6.441 1.00 0.00 C ATOM 247 C ILE A 15 65.166 2.079 -6.752 1.00 0.00 C ATOM 248 O ILE A 15 64.085 2.562 -6.446 1.00 0.00 O ATOM 249 CB ILE A 15 64.413 -0.320 -7.029 1.00 0.00 C ATOM 250 CG1 ILE A 15 64.731 -1.779 -6.668 1.00 0.00 C ATOM 251 CG2 ILE A 15 64.382 -0.181 -8.555 1.00 0.00 C ATOM 252 CD1 ILE A 15 63.526 -2.663 -6.994 1.00 0.00 C ATOM 0 H ILE A 15 64.502 0.381 -4.558 1.00 0.00 H new ATOM 0 HA ILE A 15 66.471 0.400 -6.862 1.00 0.00 H new ATOM 0 HB ILE A 15 63.444 -0.042 -6.615 1.00 0.00 H new ATOM 0 HG12 ILE A 15 65.605 -2.119 -7.223 1.00 0.00 H new ATOM 0 HG13 ILE A 15 64.976 -1.857 -5.609 1.00 0.00 H new ATOM 0 HG21 ILE A 15 63.619 -0.843 -8.965 1.00 0.00 H new ATOM 0 HG22 ILE A 15 64.150 0.850 -8.822 1.00 0.00 H new ATOM 0 HG23 ILE A 15 65.355 -0.451 -8.965 1.00 0.00 H new ATOM 0 HD11 ILE A 15 63.754 -3.698 -6.737 1.00 0.00 H new ATOM 0 HD12 ILE A 15 62.663 -2.328 -6.419 1.00 0.00 H new ATOM 0 HD13 ILE A 15 63.302 -2.594 -8.058 1.00 0.00 H new ATOM 264 N SER A 16 66.101 2.784 -7.353 1.00 0.00 N ATOM 265 CA SER A 16 65.897 4.239 -7.642 1.00 0.00 C ATOM 266 C SER A 16 65.341 4.454 -9.057 1.00 0.00 C ATOM 267 O SER A 16 65.506 3.618 -9.931 1.00 0.00 O ATOM 268 CB SER A 16 67.291 4.856 -7.530 1.00 0.00 C ATOM 269 OG SER A 16 67.777 4.680 -6.206 1.00 0.00 O ATOM 0 H SER A 16 67.000 2.409 -7.656 1.00 0.00 H new ATOM 0 HA SER A 16 65.178 4.687 -6.956 1.00 0.00 H new ATOM 0 HB2 SER A 16 67.968 4.386 -8.244 1.00 0.00 H new ATOM 0 HB3 SER A 16 67.253 5.917 -7.778 1.00 0.00 H new ATOM 0 HG SER A 16 68.629 4.196 -6.232 1.00 0.00 H new ATOM 275 N LYS A 17 64.702 5.588 -9.280 1.00 0.00 N ATOM 276 CA LYS A 17 63.973 5.845 -10.574 1.00 0.00 C ATOM 277 C LYS A 17 64.873 5.684 -11.810 1.00 0.00 C ATOM 278 O LYS A 17 64.385 5.660 -12.926 1.00 0.00 O ATOM 279 CB LYS A 17 63.488 7.295 -10.476 1.00 0.00 C ATOM 280 CG LYS A 17 62.181 7.346 -9.679 1.00 0.00 C ATOM 281 CD LYS A 17 61.637 8.775 -9.680 1.00 0.00 C ATOM 282 CE LYS A 17 60.259 8.797 -9.014 1.00 0.00 C ATOM 283 NZ LYS A 17 59.866 10.234 -8.990 1.00 0.00 N ATOM 0 H LYS A 17 64.655 6.356 -8.610 1.00 0.00 H new ATOM 0 HA LYS A 17 63.165 5.124 -10.701 1.00 0.00 H new ATOM 0 HB2 LYS A 17 64.246 7.911 -9.991 1.00 0.00 H new ATOM 0 HB3 LYS A 17 63.334 7.706 -11.474 1.00 0.00 H new ATOM 0 HG2 LYS A 17 61.449 6.667 -10.117 1.00 0.00 H new ATOM 0 HG3 LYS A 17 62.354 7.012 -8.656 1.00 0.00 H new ATOM 0 HD2 LYS A 17 62.321 9.436 -9.147 1.00 0.00 H new ATOM 0 HD3 LYS A 17 61.565 9.147 -10.702 1.00 0.00 H new ATOM 0 HE2 LYS A 17 59.540 8.200 -9.575 1.00 0.00 H new ATOM 0 HE3 LYS A 17 60.301 8.382 -8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 58.830 10.312 -9.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 60.200 10.671 -8.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 60.293 10.724 -9.802 1.00 0.00 H new ATOM 297 N ALA A 18 66.170 5.575 -11.632 1.00 0.00 N ATOM 298 CA ALA A 18 67.070 5.341 -12.804 1.00 0.00 C ATOM 299 C ALA A 18 67.224 3.836 -13.070 1.00 0.00 C ATOM 300 O ALA A 18 68.147 3.415 -13.739 1.00 0.00 O ATOM 301 CB ALA A 18 68.414 5.954 -12.402 1.00 0.00 C ATOM 0 H ALA A 18 66.641 5.638 -10.729 1.00 0.00 H new ATOM 0 HA ALA A 18 66.675 5.784 -13.718 1.00 0.00 H new ATOM 0 HB1 ALA A 18 69.131 5.823 -13.213 1.00 0.00 H new ATOM 0 HB2 ALA A 18 68.284 7.017 -12.202 1.00 0.00 H new ATOM 0 HB3 ALA A 18 68.786 5.459 -11.505 1.00 0.00 H new ATOM 307 N ASP A 19 66.322 3.021 -12.548 1.00 0.00 N ATOM 308 CA ASP A 19 66.438 1.530 -12.686 1.00 0.00 C ATOM 309 C ASP A 19 67.791 1.060 -12.146 1.00 0.00 C ATOM 310 O ASP A 19 68.397 0.143 -12.666 1.00 0.00 O ATOM 311 CB ASP A 19 66.302 1.220 -14.185 1.00 0.00 C ATOM 312 CG ASP A 19 64.921 1.658 -14.682 1.00 0.00 C ATOM 313 OD1 ASP A 19 63.955 1.428 -13.971 1.00 0.00 O ATOM 314 OD2 ASP A 19 64.852 2.214 -15.765 1.00 0.00 O ATOM 0 H ASP A 19 65.503 3.335 -12.027 1.00 0.00 H new ATOM 0 HA ASP A 19 65.667 1.011 -12.116 1.00 0.00 H new ATOM 0 HB2 ASP A 19 67.081 1.737 -14.745 1.00 0.00 H new ATOM 0 HB3 ASP A 19 66.440 0.153 -14.359 1.00 0.00 H new ATOM 319 N ILE A 20 68.259 1.696 -11.097 1.00 0.00 N ATOM 320 CA ILE A 20 69.562 1.284 -10.484 1.00 0.00 C ATOM 321 C ILE A 20 69.295 0.572 -9.160 1.00 0.00 C ATOM 322 O ILE A 20 68.374 0.918 -8.442 1.00 0.00 O ATOM 323 CB ILE A 20 70.357 2.578 -10.234 1.00 0.00 C ATOM 324 CG1 ILE A 20 70.456 3.398 -11.533 1.00 0.00 C ATOM 325 CG2 ILE A 20 71.768 2.212 -9.750 1.00 0.00 C ATOM 326 CD1 ILE A 20 71.125 4.748 -11.253 1.00 0.00 C ATOM 0 H ILE A 20 67.795 2.481 -10.640 1.00 0.00 H new ATOM 0 HA ILE A 20 70.115 0.605 -11.133 1.00 0.00 H new ATOM 0 HB ILE A 20 69.847 3.175 -9.478 1.00 0.00 H new ATOM 0 HG12 ILE A 20 71.030 2.846 -12.278 1.00 0.00 H new ATOM 0 HG13 ILE A 20 69.461 3.556 -11.950 1.00 0.00 H new ATOM 0 HG21 ILE A 20 72.339 3.123 -9.570 1.00 0.00 H new ATOM 0 HG22 ILE A 20 71.698 1.639 -8.825 1.00 0.00 H new ATOM 0 HG23 ILE A 20 72.270 1.614 -10.511 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.190 5.321 -12.178 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.534 5.303 -10.524 1.00 0.00 H new ATOM 0 HD13 ILE A 20 72.127 4.582 -10.857 1.00 0.00 H new ATOM 338 N ARG A 21 70.089 -0.415 -8.830 1.00 0.00 N ATOM 339 CA ARG A 21 69.868 -1.159 -7.556 1.00 0.00 C ATOM 340 C ARG A 21 70.925 -0.758 -6.521 1.00 0.00 C ATOM 341 O ARG A 21 72.114 -0.931 -6.728 1.00 0.00 O ATOM 342 CB ARG A 21 70.006 -2.636 -7.927 1.00 0.00 C ATOM 343 CG ARG A 21 69.576 -3.504 -6.743 1.00 0.00 C ATOM 344 CD ARG A 21 69.506 -4.971 -7.182 1.00 0.00 C ATOM 345 NE ARG A 21 70.923 -5.370 -7.466 1.00 0.00 N ATOM 346 CZ ARG A 21 71.204 -6.455 -8.163 1.00 0.00 C ATOM 347 NH1 ARG A 21 70.259 -7.236 -8.634 1.00 0.00 N ATOM 348 NH2 ARG A 21 72.452 -6.761 -8.388 1.00 0.00 N ATOM 0 H ARG A 21 70.880 -0.737 -9.388 1.00 0.00 H new ATOM 0 HA ARG A 21 68.895 -0.943 -7.114 1.00 0.00 H new ATOM 0 HB2 ARG A 21 69.391 -2.862 -8.799 1.00 0.00 H new ATOM 0 HB3 ARG A 21 71.038 -2.858 -8.198 1.00 0.00 H new ATOM 0 HG2 ARG A 21 70.283 -3.393 -5.921 1.00 0.00 H new ATOM 0 HG3 ARG A 21 68.604 -3.177 -6.373 1.00 0.00 H new ATOM 0 HD2 ARG A 21 69.071 -5.595 -6.401 1.00 0.00 H new ATOM 0 HD3 ARG A 21 68.880 -5.087 -8.067 1.00 0.00 H new ATOM 0 HE ARG A 21 71.685 -4.791 -7.113 1.00 0.00 H new ATOM 0 HH11 ARG A 21 69.279 -7.010 -8.464 1.00 0.00 H new ATOM 0 HH12 ARG A 21 70.505 -8.068 -9.170 1.00 0.00 H new ATOM 0 HH21 ARG A 21 73.196 -6.165 -8.027 1.00 0.00 H new ATOM 0 HH22 ARG A 21 72.683 -7.597 -8.925 1.00 0.00 H new ATOM 362 N TYR A 22 70.485 -0.224 -5.409 1.00 0.00 N ATOM 363 CA TYR A 22 71.413 0.106 -4.288 1.00 0.00 C ATOM 364 C TYR A 22 71.089 -0.792 -3.093 1.00 0.00 C ATOM 365 O TYR A 22 69.967 -1.226 -2.932 1.00 0.00 O ATOM 366 CB TYR A 22 71.110 1.563 -3.940 1.00 0.00 C ATOM 367 CG TYR A 22 71.555 2.560 -4.988 1.00 0.00 C ATOM 368 CD1 TYR A 22 72.853 3.121 -4.921 1.00 0.00 C ATOM 369 CD2 TYR A 22 70.672 2.938 -6.030 1.00 0.00 C ATOM 370 CE1 TYR A 22 73.270 4.060 -5.895 1.00 0.00 C ATOM 371 CE2 TYR A 22 71.089 3.877 -7.008 1.00 0.00 C ATOM 372 CZ TYR A 22 72.389 4.438 -6.939 1.00 0.00 C ATOM 373 OH TYR A 22 72.796 5.353 -7.888 1.00 0.00 O ATOM 0 H TYR A 22 69.506 0.000 -5.230 1.00 0.00 H new ATOM 0 HA TYR A 22 72.461 -0.041 -4.550 1.00 0.00 H new ATOM 0 HB2 TYR A 22 70.037 1.671 -3.785 1.00 0.00 H new ATOM 0 HB3 TYR A 22 71.595 1.807 -2.995 1.00 0.00 H new ATOM 0 HD1 TYR A 22 73.525 2.833 -4.127 1.00 0.00 H new ATOM 0 HD2 TYR A 22 69.681 2.511 -6.079 1.00 0.00 H new ATOM 0 HE1 TYR A 22 74.260 4.489 -5.843 1.00 0.00 H new ATOM 0 HE2 TYR A 22 70.417 4.164 -7.804 1.00 0.00 H new ATOM 0 HH TYR A 22 72.072 5.500 -8.532 1.00 0.00 H new ATOM 383 N GLU A 23 72.055 -1.075 -2.260 1.00 0.00 N ATOM 384 CA GLU A 23 71.770 -1.867 -1.024 1.00 0.00 C ATOM 385 C GLU A 23 72.607 -1.331 0.134 1.00 0.00 C ATOM 386 O GLU A 23 73.759 -0.989 -0.043 1.00 0.00 O ATOM 387 CB GLU A 23 72.184 -3.299 -1.369 1.00 0.00 C ATOM 388 CG GLU A 23 71.758 -4.245 -0.243 1.00 0.00 C ATOM 389 CD GLU A 23 72.280 -5.655 -0.531 1.00 0.00 C ATOM 390 OE1 GLU A 23 72.174 -6.083 -1.670 1.00 0.00 O ATOM 391 OE2 GLU A 23 72.775 -6.281 0.391 1.00 0.00 O ATOM 0 H GLU A 23 73.028 -0.793 -2.380 1.00 0.00 H new ATOM 0 HA GLU A 23 70.725 -1.810 -0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 23 71.723 -3.605 -2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 23 73.263 -3.351 -1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 23 72.148 -3.890 0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 23 70.671 -4.259 -0.158 1.00 0.00 H new ATOM 398 N GLY A 24 72.044 -1.265 1.315 1.00 0.00 N ATOM 399 CA GLY A 24 72.792 -0.660 2.460 1.00 0.00 C ATOM 400 C GLY A 24 72.081 -0.955 3.782 1.00 0.00 C ATOM 401 O GLY A 24 70.983 -1.482 3.805 1.00 0.00 O ATOM 0 H GLY A 24 71.106 -1.601 1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 24 73.806 -1.058 2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 24 72.876 0.417 2.318 1.00 0.00 H new ATOM 405 N ARG A 25 72.711 -0.618 4.883 1.00 0.00 N ATOM 406 CA ARG A 25 72.086 -0.859 6.223 1.00 0.00 C ATOM 407 C ARG A 25 71.157 0.301 6.599 1.00 0.00 C ATOM 408 O ARG A 25 71.495 1.457 6.421 1.00 0.00 O ATOM 409 CB ARG A 25 73.259 -0.934 7.204 1.00 0.00 C ATOM 410 CG ARG A 25 74.097 -2.180 6.906 1.00 0.00 C ATOM 411 CD ARG A 25 75.212 -2.309 7.947 1.00 0.00 C ATOM 412 NE ARG A 25 76.091 -3.410 7.444 1.00 0.00 N ATOM 413 CZ ARG A 25 75.744 -4.679 7.553 1.00 0.00 C ATOM 414 NH1 ARG A 25 74.604 -5.037 8.100 1.00 0.00 N ATOM 415 NH2 ARG A 25 76.552 -5.599 7.106 1.00 0.00 N ATOM 0 H ARG A 25 73.634 -0.185 4.911 1.00 0.00 H new ATOM 0 HA ARG A 25 71.483 -1.767 6.232 1.00 0.00 H new ATOM 0 HB2 ARG A 25 73.876 -0.039 7.119 1.00 0.00 H new ATOM 0 HB3 ARG A 25 72.888 -0.969 8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 25 73.465 -3.068 6.923 1.00 0.00 H new ATOM 0 HG3 ARG A 25 74.525 -2.112 5.906 1.00 0.00 H new ATOM 0 HD2 ARG A 25 75.767 -1.376 8.047 1.00 0.00 H new ATOM 0 HD3 ARG A 25 74.807 -2.546 8.931 1.00 0.00 H new ATOM 0 HE ARG A 25 76.981 -3.174 7.006 1.00 0.00 H new ATOM 0 HH11 ARG A 25 73.962 -4.327 8.453 1.00 0.00 H new ATOM 0 HH12 ARG A 25 74.361 -6.025 8.172 1.00 0.00 H new ATOM 0 HH21 ARG A 25 77.440 -5.334 6.679 1.00 0.00 H new ATOM 0 HH22 ARG A 25 76.297 -6.583 7.184 1.00 0.00 H new ATOM 429 N LEU A 26 69.989 -0.003 7.117 1.00 0.00 N ATOM 430 CA LEU A 26 69.068 1.081 7.595 1.00 0.00 C ATOM 431 C LEU A 26 69.670 1.809 8.802 1.00 0.00 C ATOM 432 O LEU A 26 69.894 1.215 9.841 1.00 0.00 O ATOM 433 CB LEU A 26 67.797 0.343 8.030 1.00 0.00 C ATOM 434 CG LEU A 26 66.688 1.357 8.328 1.00 0.00 C ATOM 435 CD1 LEU A 26 66.086 1.864 7.016 1.00 0.00 C ATOM 436 CD2 LEU A 26 65.597 0.685 9.166 1.00 0.00 C ATOM 0 H LEU A 26 69.634 -0.953 7.229 1.00 0.00 H new ATOM 0 HA LEU A 26 68.886 1.829 6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 26 67.476 -0.342 7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 26 68.000 -0.260 8.915 1.00 0.00 H new ATOM 0 HG LEU A 26 67.106 2.199 8.880 1.00 0.00 H new ATOM 0 HD11 LEU A 26 65.298 2.585 7.232 1.00 0.00 H new ATOM 0 HD12 LEU A 26 66.863 2.343 6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 26 65.668 1.025 6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 26 64.807 1.405 9.379 1.00 0.00 H new ATOM 0 HD22 LEU A 26 65.181 -0.157 8.614 1.00 0.00 H new ATOM 0 HD23 LEU A 26 66.025 0.329 10.103 1.00 0.00 H new ATOM 448 N TYR A 27 69.931 3.088 8.670 1.00 0.00 N ATOM 449 CA TYR A 27 70.497 3.861 9.816 1.00 0.00 C ATOM 450 C TYR A 27 69.394 4.655 10.523 1.00 0.00 C ATOM 451 O TYR A 27 69.259 4.594 11.732 1.00 0.00 O ATOM 452 CB TYR A 27 71.522 4.808 9.191 1.00 0.00 C ATOM 453 CG TYR A 27 72.347 5.553 10.213 1.00 0.00 C ATOM 454 CD1 TYR A 27 73.038 4.839 11.223 1.00 0.00 C ATOM 455 CD2 TYR A 27 72.429 6.966 10.164 1.00 0.00 C ATOM 456 CE1 TYR A 27 73.810 5.537 12.183 1.00 0.00 C ATOM 457 CE2 TYR A 27 73.202 7.664 11.124 1.00 0.00 C ATOM 458 CZ TYR A 27 73.892 6.950 12.133 1.00 0.00 C ATOM 459 OH TYR A 27 74.644 7.631 13.069 1.00 0.00 O ATOM 0 H TYR A 27 69.776 3.628 7.818 1.00 0.00 H new ATOM 0 HA TYR A 27 70.947 3.210 10.566 1.00 0.00 H new ATOM 0 HB2 TYR A 27 72.187 4.236 8.544 1.00 0.00 H new ATOM 0 HB3 TYR A 27 71.003 5.528 8.558 1.00 0.00 H new ATOM 0 HD1 TYR A 27 72.976 3.761 11.261 1.00 0.00 H new ATOM 0 HD2 TYR A 27 71.902 7.511 9.395 1.00 0.00 H new ATOM 0 HE1 TYR A 27 74.336 4.992 12.953 1.00 0.00 H new ATOM 0 HE2 TYR A 27 73.265 8.741 11.086 1.00 0.00 H new ATOM 0 HH TYR A 27 74.594 8.593 12.891 1.00 0.00 H new ATOM 469 N THR A 28 68.607 5.394 9.777 1.00 0.00 N ATOM 470 CA THR A 28 67.532 6.230 10.404 1.00 0.00 C ATOM 471 C THR A 28 66.396 6.474 9.405 1.00 0.00 C ATOM 472 O THR A 28 66.593 6.417 8.206 1.00 0.00 O ATOM 473 CB THR A 28 68.207 7.554 10.776 1.00 0.00 C ATOM 474 OG1 THR A 28 68.999 8.004 9.686 1.00 0.00 O ATOM 475 CG2 THR A 28 69.094 7.356 12.006 1.00 0.00 C ATOM 0 H THR A 28 68.662 5.455 8.760 1.00 0.00 H new ATOM 0 HA THR A 28 67.094 5.740 11.274 1.00 0.00 H new ATOM 0 HB THR A 28 67.442 8.297 11.002 1.00 0.00 H new ATOM 0 HG1 THR A 28 69.925 7.709 9.811 1.00 0.00 H new ATOM 0 HG21 THR A 28 69.572 8.301 12.266 1.00 0.00 H new ATOM 0 HG22 THR A 28 68.485 7.015 12.843 1.00 0.00 H new ATOM 0 HG23 THR A 28 69.859 6.611 11.787 1.00 0.00 H new ATOM 483 N VAL A 29 65.212 6.748 9.898 1.00 0.00 N ATOM 484 CA VAL A 29 64.045 6.982 8.990 1.00 0.00 C ATOM 485 C VAL A 29 63.153 8.098 9.557 1.00 0.00 C ATOM 486 O VAL A 29 63.018 8.243 10.758 1.00 0.00 O ATOM 487 CB VAL A 29 63.305 5.632 8.930 1.00 0.00 C ATOM 488 CG1 VAL A 29 62.781 5.245 10.320 1.00 0.00 C ATOM 489 CG2 VAL A 29 62.129 5.728 7.951 1.00 0.00 C ATOM 0 H VAL A 29 65.003 6.820 10.894 1.00 0.00 H new ATOM 0 HA VAL A 29 64.344 7.308 7.994 1.00 0.00 H new ATOM 0 HB VAL A 29 64.004 4.868 8.590 1.00 0.00 H new ATOM 0 HG11 VAL A 29 62.261 4.289 10.260 1.00 0.00 H new ATOM 0 HG12 VAL A 29 63.618 5.160 11.013 1.00 0.00 H new ATOM 0 HG13 VAL A 29 62.092 6.011 10.675 1.00 0.00 H new ATOM 0 HG21 VAL A 29 61.609 4.771 7.912 1.00 0.00 H new ATOM 0 HG22 VAL A 29 61.439 6.503 8.286 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.502 5.979 6.958 1.00 0.00 H new ATOM 499 N ASP A 30 62.546 8.883 8.697 1.00 0.00 N ATOM 500 CA ASP A 30 61.623 9.959 9.167 1.00 0.00 C ATOM 501 C ASP A 30 60.281 9.845 8.426 1.00 0.00 C ATOM 502 O ASP A 30 60.180 10.273 7.291 1.00 0.00 O ATOM 503 CB ASP A 30 62.326 11.268 8.806 1.00 0.00 C ATOM 504 CG ASP A 30 61.813 12.389 9.711 1.00 0.00 C ATOM 505 OD1 ASP A 30 60.616 12.630 9.700 1.00 0.00 O ATOM 506 OD2 ASP A 30 62.622 12.988 10.399 1.00 0.00 O ATOM 0 H ASP A 30 62.653 8.822 7.684 1.00 0.00 H new ATOM 0 HA ASP A 30 61.411 9.895 10.234 1.00 0.00 H new ATOM 0 HB2 ASP A 30 63.404 11.158 8.921 1.00 0.00 H new ATOM 0 HB3 ASP A 30 62.141 11.516 7.761 1.00 0.00 H new ATOM 511 N PRO A 31 59.285 9.270 9.083 1.00 0.00 N ATOM 512 CA PRO A 31 57.981 9.013 8.409 1.00 0.00 C ATOM 513 C PRO A 31 57.325 10.330 7.977 1.00 0.00 C ATOM 514 O PRO A 31 56.768 10.428 6.899 1.00 0.00 O ATOM 515 CB PRO A 31 57.138 8.305 9.474 1.00 0.00 C ATOM 516 CG PRO A 31 57.813 8.592 10.776 1.00 0.00 C ATOM 517 CD PRO A 31 59.270 8.813 10.482 1.00 0.00 C ATOM 0 HA PRO A 31 58.089 8.417 7.503 1.00 0.00 H new ATOM 0 HB2 PRO A 31 56.113 8.676 9.473 1.00 0.00 H new ATOM 0 HB3 PRO A 31 57.089 7.232 9.286 1.00 0.00 H new ATOM 0 HG2 PRO A 31 57.378 9.473 11.249 1.00 0.00 H new ATOM 0 HG3 PRO A 31 57.682 7.761 11.469 1.00 0.00 H new ATOM 0 HD2 PRO A 31 59.704 9.557 11.150 1.00 0.00 H new ATOM 0 HD3 PRO A 31 59.846 7.897 10.609 1.00 0.00 H new ATOM 525 N GLN A 32 57.401 11.345 8.799 1.00 0.00 N ATOM 526 CA GLN A 32 56.626 12.596 8.520 1.00 0.00 C ATOM 527 C GLN A 32 57.364 13.457 7.488 1.00 0.00 C ATOM 528 O GLN A 32 56.757 14.245 6.787 1.00 0.00 O ATOM 529 CB GLN A 32 56.510 13.323 9.862 1.00 0.00 C ATOM 530 CG GLN A 32 55.651 12.496 10.821 1.00 0.00 C ATOM 531 CD GLN A 32 55.563 13.205 12.175 1.00 0.00 C ATOM 532 OE1 GLN A 32 56.512 13.822 12.616 1.00 0.00 O ATOM 533 NE2 GLN A 32 54.452 13.143 12.858 1.00 0.00 N ATOM 0 H GLN A 32 57.964 11.364 9.649 1.00 0.00 H new ATOM 0 HA GLN A 32 55.642 12.381 8.104 1.00 0.00 H new ATOM 0 HB2 GLN A 32 57.501 13.480 10.289 1.00 0.00 H new ATOM 0 HB3 GLN A 32 56.066 14.308 9.717 1.00 0.00 H new ATOM 0 HG2 GLN A 32 54.653 12.360 10.405 1.00 0.00 H new ATOM 0 HG3 GLN A 32 56.082 11.503 10.947 1.00 0.00 H new ATOM 0 HE21 GLN A 32 53.655 12.625 12.489 1.00 0.00 H new ATOM 0 HE22 GLN A 32 54.382 13.612 13.761 1.00 0.00 H new ATOM 542 N GLU A 33 58.664 13.314 7.391 1.00 0.00 N ATOM 543 CA GLU A 33 59.419 14.014 6.305 1.00 0.00 C ATOM 544 C GLU A 33 59.458 13.169 5.018 1.00 0.00 C ATOM 545 O GLU A 33 60.051 13.573 4.035 1.00 0.00 O ATOM 546 CB GLU A 33 60.833 14.205 6.857 1.00 0.00 C ATOM 547 CG GLU A 33 60.798 15.178 8.039 1.00 0.00 C ATOM 548 CD GLU A 33 62.226 15.482 8.508 1.00 0.00 C ATOM 549 OE1 GLU A 33 63.054 14.586 8.458 1.00 0.00 O ATOM 550 OE2 GLU A 33 62.466 16.609 8.909 1.00 0.00 O ATOM 0 H GLU A 33 59.234 12.744 8.016 1.00 0.00 H new ATOM 0 HA GLU A 33 58.947 14.960 6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 33 61.242 13.246 7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.490 14.589 6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 33 60.298 16.101 7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 33 60.221 14.748 8.858 1.00 0.00 H new ATOM 557 N CYS A 34 58.833 12.000 5.008 1.00 0.00 N ATOM 558 CA CYS A 34 58.906 11.088 3.811 1.00 0.00 C ATOM 559 C CYS A 34 60.359 10.889 3.348 1.00 0.00 C ATOM 560 O CYS A 34 60.641 10.842 2.163 1.00 0.00 O ATOM 561 CB CYS A 34 58.083 11.787 2.722 1.00 0.00 C ATOM 562 SG CYS A 34 56.320 11.560 3.059 1.00 0.00 S ATOM 0 H CYS A 34 58.275 11.641 5.783 1.00 0.00 H new ATOM 0 HA CYS A 34 58.522 10.094 4.042 1.00 0.00 H new ATOM 0 HB2 CYS A 34 58.325 12.849 2.694 1.00 0.00 H new ATOM 0 HB3 CYS A 34 58.333 11.377 1.743 1.00 0.00 H new ATOM 0 HG CYS A 34 55.622 12.154 2.137 1.00 0.00 H new ATOM 568 N THR A 35 61.281 10.770 4.276 1.00 0.00 N ATOM 569 CA THR A 35 62.726 10.690 3.894 1.00 0.00 C ATOM 570 C THR A 35 63.427 9.596 4.697 1.00 0.00 C ATOM 571 O THR A 35 62.999 9.238 5.777 1.00 0.00 O ATOM 572 CB THR A 35 63.312 12.063 4.235 1.00 0.00 C ATOM 573 OG1 THR A 35 62.844 12.478 5.513 1.00 0.00 O ATOM 574 CG2 THR A 35 62.887 13.081 3.176 1.00 0.00 C ATOM 0 H THR A 35 61.095 10.725 5.278 1.00 0.00 H new ATOM 0 HA THR A 35 62.856 10.444 2.840 1.00 0.00 H new ATOM 0 HB THR A 35 64.400 11.996 4.254 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.340 13.273 5.801 1.00 0.00 H new ATOM 0 HG21 THR A 35 63.305 14.057 3.421 1.00 0.00 H new ATOM 0 HG22 THR A 35 63.253 12.764 2.199 1.00 0.00 H new ATOM 0 HG23 THR A 35 61.799 13.148 3.152 1.00 0.00 H new ATOM 582 N ILE A 36 64.502 9.063 4.174 1.00 0.00 N ATOM 583 CA ILE A 36 65.273 8.021 4.922 1.00 0.00 C ATOM 584 C ILE A 36 66.777 8.211 4.694 1.00 0.00 C ATOM 585 O ILE A 36 67.190 8.874 3.762 1.00 0.00 O ATOM 586 CB ILE A 36 64.797 6.667 4.363 1.00 0.00 C ATOM 587 CG1 ILE A 36 65.028 6.601 2.845 1.00 0.00 C ATOM 588 CG2 ILE A 36 63.305 6.486 4.656 1.00 0.00 C ATOM 589 CD1 ILE A 36 64.845 5.162 2.360 1.00 0.00 C ATOM 0 H ILE A 36 64.881 9.305 3.258 1.00 0.00 H new ATOM 0 HA ILE A 36 65.106 8.084 5.997 1.00 0.00 H new ATOM 0 HB ILE A 36 65.367 5.872 4.843 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.328 7.260 2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 36 66.032 6.952 2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.970 5.527 4.260 1.00 0.00 H new ATOM 0 HG22 ILE A 36 63.140 6.511 5.733 1.00 0.00 H new ATOM 0 HG23 ILE A 36 62.741 7.291 4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 36 65.009 5.117 1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.562 4.514 2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.833 4.828 2.587 1.00 0.00 H new ATOM 601 N ALA A 37 67.592 7.631 5.540 1.00 0.00 N ATOM 602 CA ALA A 37 69.069 7.694 5.332 1.00 0.00 C ATOM 603 C ALA A 37 69.685 6.319 5.592 1.00 0.00 C ATOM 604 O ALA A 37 69.463 5.717 6.629 1.00 0.00 O ATOM 605 CB ALA A 37 69.583 8.719 6.345 1.00 0.00 C ATOM 0 H ALA A 37 67.295 7.115 6.368 1.00 0.00 H new ATOM 0 HA ALA A 37 69.332 7.979 4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 37 70.664 8.816 6.248 1.00 0.00 H new ATOM 0 HB2 ALA A 37 69.114 9.684 6.156 1.00 0.00 H new ATOM 0 HB3 ALA A 37 69.338 8.388 7.354 1.00 0.00 H new ATOM 611 N LEU A 38 70.455 5.825 4.656 1.00 0.00 N ATOM 612 CA LEU A 38 71.066 4.471 4.807 1.00 0.00 C ATOM 613 C LEU A 38 72.571 4.608 5.019 1.00 0.00 C ATOM 614 O LEU A 38 73.194 5.510 4.490 1.00 0.00 O ATOM 615 CB LEU A 38 70.775 3.747 3.487 1.00 0.00 C ATOM 616 CG LEU A 38 69.264 3.581 3.301 1.00 0.00 C ATOM 617 CD1 LEU A 38 68.979 3.066 1.888 1.00 0.00 C ATOM 618 CD2 LEU A 38 68.728 2.576 4.325 1.00 0.00 C ATOM 0 H LEU A 38 70.688 6.306 3.787 1.00 0.00 H new ATOM 0 HA LEU A 38 70.664 3.927 5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.192 4.312 2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.259 2.770 3.484 1.00 0.00 H new ATOM 0 HG LEU A 38 68.774 4.544 3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 38 67.904 2.947 1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 38 69.359 3.780 1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 38 69.471 2.104 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 38 67.653 2.459 4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 38 69.218 1.613 4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 38 68.931 2.940 5.332 1.00 0.00 H new ATOM 630 N SER A 39 73.159 3.722 5.782 1.00 0.00 N ATOM 631 CA SER A 39 74.621 3.823 6.064 1.00 0.00 C ATOM 632 C SER A 39 75.324 2.583 5.525 1.00 0.00 C ATOM 633 O SER A 39 74.727 1.527 5.430 1.00 0.00 O ATOM 634 CB SER A 39 74.733 3.890 7.588 1.00 0.00 C ATOM 635 OG SER A 39 74.272 2.667 8.145 1.00 0.00 O ATOM 0 H SER A 39 72.688 2.932 6.222 1.00 0.00 H new ATOM 0 HA SER A 39 75.082 4.691 5.594 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.767 4.070 7.881 1.00 0.00 H new ATOM 0 HB3 SER A 39 74.144 4.723 7.972 1.00 0.00 H new ATOM 0 HG SER A 39 74.344 2.705 9.122 1.00 0.00 H new ATOM 641 N SER A 40 76.586 2.702 5.170 1.00 0.00 N ATOM 642 CA SER A 40 77.310 1.586 4.470 1.00 0.00 C ATOM 643 C SER A 40 76.438 1.006 3.344 1.00 0.00 C ATOM 644 O SER A 40 75.726 0.033 3.527 1.00 0.00 O ATOM 645 CB SER A 40 77.617 0.541 5.553 1.00 0.00 C ATOM 646 OG SER A 40 76.440 -0.181 5.888 1.00 0.00 O ATOM 0 H SER A 40 77.151 3.534 5.338 1.00 0.00 H new ATOM 0 HA SER A 40 78.230 1.927 3.995 1.00 0.00 H new ATOM 0 HB2 SER A 40 78.385 -0.146 5.198 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.015 1.033 6.440 1.00 0.00 H new ATOM 0 HG SER A 40 75.696 0.130 5.331 1.00 0.00 H new ATOM 652 N VAL A 41 76.486 1.621 2.189 1.00 0.00 N ATOM 653 CA VAL A 41 75.655 1.159 1.038 1.00 0.00 C ATOM 654 C VAL A 41 76.510 1.117 -0.240 1.00 0.00 C ATOM 655 O VAL A 41 77.436 1.895 -0.403 1.00 0.00 O ATOM 656 CB VAL A 41 74.511 2.186 0.934 1.00 0.00 C ATOM 657 CG1 VAL A 41 75.073 3.573 0.613 1.00 0.00 C ATOM 658 CG2 VAL A 41 73.526 1.772 -0.169 1.00 0.00 C ATOM 0 H VAL A 41 77.072 2.432 1.994 1.00 0.00 H new ATOM 0 HA VAL A 41 75.262 0.151 1.173 1.00 0.00 H new ATOM 0 HB VAL A 41 73.990 2.219 1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 41 74.255 4.290 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 41 75.757 3.880 1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 41 75.608 3.538 -0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 41 72.722 2.505 -0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 41 74.049 1.723 -1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 41 73.107 0.794 0.066 1.00 0.00 H new ATOM 668 N ARG A 42 76.204 0.216 -1.137 1.00 0.00 N ATOM 669 CA ARG A 42 76.960 0.128 -2.422 1.00 0.00 C ATOM 670 C ARG A 42 75.980 0.049 -3.596 1.00 0.00 C ATOM 671 O ARG A 42 74.865 -0.412 -3.446 1.00 0.00 O ATOM 672 CB ARG A 42 77.772 -1.163 -2.314 1.00 0.00 C ATOM 673 CG ARG A 42 78.775 -1.237 -3.468 1.00 0.00 C ATOM 674 CD ARG A 42 79.278 -2.678 -3.624 1.00 0.00 C ATOM 675 NE ARG A 42 80.040 -2.977 -2.367 1.00 0.00 N ATOM 676 CZ ARG A 42 80.898 -3.977 -2.302 1.00 0.00 C ATOM 677 NH1 ARG A 42 81.117 -4.767 -3.330 1.00 0.00 N ATOM 678 NH2 ARG A 42 81.540 -4.194 -1.188 1.00 0.00 N ATOM 0 H ARG A 42 75.455 -0.469 -1.033 1.00 0.00 H new ATOM 0 HA ARG A 42 77.598 0.996 -2.592 1.00 0.00 H new ATOM 0 HB2 ARG A 42 78.297 -1.195 -1.360 1.00 0.00 H new ATOM 0 HB3 ARG A 42 77.107 -2.026 -2.341 1.00 0.00 H new ATOM 0 HG2 ARG A 42 78.305 -0.903 -4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 42 79.614 -0.567 -3.277 1.00 0.00 H new ATOM 0 HD2 ARG A 42 78.447 -3.372 -3.753 1.00 0.00 H new ATOM 0 HD3 ARG A 42 79.916 -2.778 -4.502 1.00 0.00 H new ATOM 0 HE ARG A 42 79.891 -2.394 -1.544 1.00 0.00 H new ATOM 0 HH11 ARG A 42 80.618 -4.614 -4.206 1.00 0.00 H new ATOM 0 HH12 ARG A 42 81.786 -5.533 -3.251 1.00 0.00 H new ATOM 0 HH21 ARG A 42 81.376 -3.594 -0.380 1.00 0.00 H new ATOM 0 HH22 ARG A 42 82.206 -4.964 -1.125 1.00 0.00 H new ATOM 692 N SER A 43 76.390 0.498 -4.757 1.00 0.00 N ATOM 693 CA SER A 43 75.526 0.364 -5.971 1.00 0.00 C ATOM 694 C SER A 43 76.113 -0.701 -6.900 1.00 0.00 C ATOM 695 O SER A 43 77.303 -0.715 -7.157 1.00 0.00 O ATOM 696 CB SER A 43 75.554 1.741 -6.634 1.00 0.00 C ATOM 697 OG SER A 43 76.857 1.989 -7.148 1.00 0.00 O ATOM 0 H SER A 43 77.289 0.953 -4.917 1.00 0.00 H new ATOM 0 HA SER A 43 74.507 0.058 -5.732 1.00 0.00 H new ATOM 0 HB2 SER A 43 74.819 1.785 -7.438 1.00 0.00 H new ATOM 0 HB3 SER A 43 75.283 2.511 -5.911 1.00 0.00 H new ATOM 0 HG SER A 43 76.954 2.944 -7.348 1.00 0.00 H new ATOM 703 N PHE A 44 75.292 -1.591 -7.403 1.00 0.00 N ATOM 704 CA PHE A 44 75.838 -2.768 -8.153 1.00 0.00 C ATOM 705 C PHE A 44 76.145 -2.399 -9.607 1.00 0.00 C ATOM 706 O PHE A 44 77.134 -2.844 -10.162 1.00 0.00 O ATOM 707 CB PHE A 44 74.740 -3.830 -8.091 1.00 0.00 C ATOM 708 CG PHE A 44 74.626 -4.501 -6.743 1.00 0.00 C ATOM 709 CD1 PHE A 44 75.455 -5.607 -6.431 1.00 0.00 C ATOM 710 CD2 PHE A 44 73.693 -4.026 -5.790 1.00 0.00 C ATOM 711 CE1 PHE A 44 75.351 -6.237 -5.167 1.00 0.00 C ATOM 712 CE2 PHE A 44 73.589 -4.656 -4.526 1.00 0.00 C ATOM 713 CZ PHE A 44 74.417 -5.760 -4.215 1.00 0.00 C ATOM 0 H PHE A 44 74.275 -1.555 -7.328 1.00 0.00 H new ATOM 0 HA PHE A 44 76.774 -3.120 -7.719 1.00 0.00 H new ATOM 0 HB2 PHE A 44 73.785 -3.368 -8.340 1.00 0.00 H new ATOM 0 HB3 PHE A 44 74.935 -4.588 -8.850 1.00 0.00 H new ATOM 0 HD1 PHE A 44 76.167 -5.970 -7.158 1.00 0.00 H new ATOM 0 HD2 PHE A 44 73.061 -3.183 -6.027 1.00 0.00 H new ATOM 0 HE1 PHE A 44 75.983 -7.080 -4.929 1.00 0.00 H new ATOM 0 HE2 PHE A 44 72.877 -4.293 -3.799 1.00 0.00 H new ATOM 0 HZ PHE A 44 74.337 -6.240 -3.251 1.00 0.00 H new ATOM 723 N GLY A 45 75.316 -1.596 -10.230 1.00 0.00 N ATOM 724 CA GLY A 45 75.630 -1.124 -11.609 1.00 0.00 C ATOM 725 C GLY A 45 74.400 -0.475 -12.238 1.00 0.00 C ATOM 726 O GLY A 45 73.297 -0.594 -11.737 1.00 0.00 O ATOM 0 H GLY A 45 74.439 -1.250 -9.842 1.00 0.00 H new ATOM 0 HA2 GLY A 45 76.452 -0.408 -11.578 1.00 0.00 H new ATOM 0 HA3 GLY A 45 75.961 -1.963 -12.222 1.00 0.00 H new ATOM 730 N THR A 46 74.592 0.212 -13.333 1.00 0.00 N ATOM 731 CA THR A 46 73.431 0.700 -14.142 1.00 0.00 C ATOM 732 C THR A 46 73.452 0.087 -15.556 1.00 0.00 C ATOM 733 O THR A 46 72.489 0.191 -16.290 1.00 0.00 O ATOM 734 CB THR A 46 73.614 2.221 -14.216 1.00 0.00 C ATOM 735 OG1 THR A 46 74.894 2.514 -14.757 1.00 0.00 O ATOM 736 CG2 THR A 46 73.496 2.832 -12.815 1.00 0.00 C ATOM 0 H THR A 46 75.509 0.459 -13.706 1.00 0.00 H new ATOM 0 HA THR A 46 72.477 0.419 -13.696 1.00 0.00 H new ATOM 0 HB THR A 46 72.840 2.646 -14.855 1.00 0.00 H new ATOM 0 HG1 THR A 46 75.013 3.485 -14.807 1.00 0.00 H new ATOM 0 HG21 THR A 46 73.627 3.912 -12.877 1.00 0.00 H new ATOM 0 HG22 THR A 46 72.512 2.609 -12.403 1.00 0.00 H new ATOM 0 HG23 THR A 46 74.265 2.410 -12.168 1.00 0.00 H new ATOM 744 N GLU A 47 74.539 -0.556 -15.934 1.00 0.00 N ATOM 745 CA GLU A 47 74.776 -0.915 -17.375 1.00 0.00 C ATOM 746 C GLU A 47 73.592 -1.676 -17.994 1.00 0.00 C ATOM 747 O GLU A 47 73.400 -1.649 -19.197 1.00 0.00 O ATOM 748 CB GLU A 47 76.024 -1.804 -17.365 1.00 0.00 C ATOM 749 CG GLU A 47 76.518 -2.015 -18.800 1.00 0.00 C ATOM 750 CD GLU A 47 77.691 -2.999 -18.799 1.00 0.00 C ATOM 751 OE1 GLU A 47 78.550 -2.866 -17.943 1.00 0.00 O ATOM 752 OE2 GLU A 47 77.710 -3.867 -19.656 1.00 0.00 O ATOM 0 H GLU A 47 75.280 -0.850 -15.297 1.00 0.00 H new ATOM 0 HA GLU A 47 74.898 -0.016 -17.979 1.00 0.00 H new ATOM 0 HB2 GLU A 47 76.807 -1.341 -16.765 1.00 0.00 H new ATOM 0 HB3 GLU A 47 75.795 -2.765 -16.904 1.00 0.00 H new ATOM 0 HG2 GLU A 47 75.709 -2.399 -19.421 1.00 0.00 H new ATOM 0 HG3 GLU A 47 76.828 -1.064 -19.232 1.00 0.00 H new ATOM 759 N ASP A 48 72.802 -2.350 -17.194 1.00 0.00 N ATOM 760 CA ASP A 48 71.689 -3.174 -17.768 1.00 0.00 C ATOM 761 C ASP A 48 70.493 -2.291 -18.145 1.00 0.00 C ATOM 762 O ASP A 48 70.084 -2.251 -19.291 1.00 0.00 O ATOM 763 CB ASP A 48 71.298 -4.155 -16.658 1.00 0.00 C ATOM 764 CG ASP A 48 72.452 -5.128 -16.398 1.00 0.00 C ATOM 765 OD1 ASP A 48 73.046 -5.585 -17.362 1.00 0.00 O ATOM 766 OD2 ASP A 48 72.720 -5.400 -15.240 1.00 0.00 O ATOM 0 H ASP A 48 72.877 -2.367 -16.177 1.00 0.00 H new ATOM 0 HA ASP A 48 71.998 -3.687 -18.679 1.00 0.00 H new ATOM 0 HB2 ASP A 48 71.057 -3.609 -15.746 1.00 0.00 H new ATOM 0 HB3 ASP A 48 70.403 -4.706 -16.945 1.00 0.00 H new ATOM 771 N ARG A 49 69.934 -1.586 -17.191 1.00 0.00 N ATOM 772 CA ARG A 49 68.692 -0.790 -17.462 1.00 0.00 C ATOM 773 C ARG A 49 69.011 0.671 -17.823 1.00 0.00 C ATOM 774 O ARG A 49 68.118 1.497 -17.895 1.00 0.00 O ATOM 775 CB ARG A 49 67.886 -0.861 -16.164 1.00 0.00 C ATOM 776 CG ARG A 49 67.428 -2.303 -15.926 1.00 0.00 C ATOM 777 CD ARG A 49 66.506 -2.356 -14.703 1.00 0.00 C ATOM 778 NE ARG A 49 66.231 -3.811 -14.473 1.00 0.00 N ATOM 779 CZ ARG A 49 65.740 -4.246 -13.329 1.00 0.00 C ATOM 780 NH1 ARG A 49 65.464 -3.426 -12.340 1.00 0.00 N ATOM 781 NH2 ARG A 49 65.519 -5.523 -13.176 1.00 0.00 N ATOM 0 H ARG A 49 70.284 -1.526 -16.235 1.00 0.00 H new ATOM 0 HA ARG A 49 68.146 -1.190 -18.316 1.00 0.00 H new ATOM 0 HB2 ARG A 49 68.494 -0.518 -15.327 1.00 0.00 H new ATOM 0 HB3 ARG A 49 67.022 -0.199 -16.223 1.00 0.00 H new ATOM 0 HG2 ARG A 49 66.904 -2.678 -16.805 1.00 0.00 H new ATOM 0 HG3 ARG A 49 68.292 -2.948 -15.770 1.00 0.00 H new ATOM 0 HD2 ARG A 49 66.982 -1.904 -13.833 1.00 0.00 H new ATOM 0 HD3 ARG A 49 65.583 -1.806 -14.883 1.00 0.00 H new ATOM 0 HE ARG A 49 66.428 -4.480 -15.218 1.00 0.00 H new ATOM 0 HH11 ARG A 49 65.629 -2.425 -12.446 1.00 0.00 H new ATOM 0 HH12 ARG A 49 65.085 -3.790 -11.466 1.00 0.00 H new ATOM 0 HH21 ARG A 49 65.726 -6.171 -13.936 1.00 0.00 H new ATOM 0 HH22 ARG A 49 65.139 -5.873 -12.296 1.00 0.00 H new ATOM 795 N ASP A 50 70.262 1.003 -18.049 1.00 0.00 N ATOM 796 CA ASP A 50 70.630 2.433 -18.304 1.00 0.00 C ATOM 797 C ASP A 50 70.569 2.761 -19.801 1.00 0.00 C ATOM 798 O ASP A 50 70.349 1.898 -20.630 1.00 0.00 O ATOM 799 CB ASP A 50 72.061 2.606 -17.765 1.00 0.00 C ATOM 800 CG ASP A 50 73.058 1.732 -18.544 1.00 0.00 C ATOM 801 OD1 ASP A 50 72.634 0.757 -19.144 1.00 0.00 O ATOM 802 OD2 ASP A 50 74.233 2.058 -18.526 1.00 0.00 O ATOM 0 H ASP A 50 71.042 0.346 -18.068 1.00 0.00 H new ATOM 0 HA ASP A 50 69.934 3.112 -17.812 1.00 0.00 H new ATOM 0 HB2 ASP A 50 72.356 3.653 -17.839 1.00 0.00 H new ATOM 0 HB3 ASP A 50 72.089 2.340 -16.708 1.00 0.00 H new ATOM 807 N THR A 51 70.764 4.012 -20.136 1.00 0.00 N ATOM 808 CA THR A 51 70.762 4.433 -21.571 1.00 0.00 C ATOM 809 C THR A 51 72.096 4.072 -22.219 1.00 0.00 C ATOM 810 O THR A 51 73.065 3.785 -21.540 1.00 0.00 O ATOM 811 CB THR A 51 70.568 5.952 -21.550 1.00 0.00 C ATOM 812 OG1 THR A 51 69.482 6.278 -20.694 1.00 0.00 O ATOM 813 CG2 THR A 51 70.272 6.452 -22.965 1.00 0.00 C ATOM 0 H THR A 51 70.926 4.767 -19.470 1.00 0.00 H new ATOM 0 HA THR A 51 69.979 3.937 -22.145 1.00 0.00 H new ATOM 0 HB THR A 51 71.477 6.428 -21.182 1.00 0.00 H new ATOM 0 HG1 THR A 51 69.358 7.250 -20.678 1.00 0.00 H new ATOM 0 HG21 THR A 51 70.134 7.533 -22.947 1.00 0.00 H new ATOM 0 HG22 THR A 51 71.106 6.203 -23.621 1.00 0.00 H new ATOM 0 HG23 THR A 51 69.364 5.977 -23.336 1.00 0.00 H new ATOM 821 N GLN A 52 72.152 4.087 -23.529 1.00 0.00 N ATOM 822 CA GLN A 52 73.384 3.606 -24.239 1.00 0.00 C ATOM 823 C GLN A 52 74.509 4.655 -24.196 1.00 0.00 C ATOM 824 O GLN A 52 75.495 4.532 -24.900 1.00 0.00 O ATOM 825 CB GLN A 52 72.960 3.339 -25.696 1.00 0.00 C ATOM 826 CG GLN A 52 72.379 4.605 -26.342 1.00 0.00 C ATOM 827 CD GLN A 52 72.334 4.425 -27.861 1.00 0.00 C ATOM 828 OE1 GLN A 52 71.410 3.836 -28.388 1.00 0.00 O ATOM 829 NE2 GLN A 52 73.300 4.910 -28.592 1.00 0.00 N ATOM 0 H GLN A 52 71.401 4.410 -24.138 1.00 0.00 H new ATOM 0 HA GLN A 52 73.778 2.711 -23.759 1.00 0.00 H new ATOM 0 HB2 GLN A 52 73.820 2.995 -26.271 1.00 0.00 H new ATOM 0 HB3 GLN A 52 72.219 2.540 -25.722 1.00 0.00 H new ATOM 0 HG2 GLN A 52 71.377 4.796 -25.957 1.00 0.00 H new ATOM 0 HG3 GLN A 52 72.989 5.471 -26.085 1.00 0.00 H new ATOM 0 HE21 GLN A 52 74.075 5.404 -28.150 1.00 0.00 H new ATOM 0 HE22 GLN A 52 73.280 4.795 -29.605 1.00 0.00 H new ATOM 838 N PHE A 53 74.375 5.679 -23.384 1.00 0.00 N ATOM 839 CA PHE A 53 75.534 6.587 -23.126 1.00 0.00 C ATOM 840 C PHE A 53 76.299 6.106 -21.888 1.00 0.00 C ATOM 841 O PHE A 53 75.707 5.681 -20.912 1.00 0.00 O ATOM 842 CB PHE A 53 74.914 7.966 -22.893 1.00 0.00 C ATOM 843 CG PHE A 53 74.627 8.737 -24.168 1.00 0.00 C ATOM 844 CD1 PHE A 53 74.166 8.063 -25.333 1.00 0.00 C ATOM 845 CD2 PHE A 53 74.819 10.140 -24.197 1.00 0.00 C ATOM 846 CE1 PHE A 53 73.900 8.795 -26.515 1.00 0.00 C ATOM 847 CE2 PHE A 53 74.552 10.869 -25.381 1.00 0.00 C ATOM 848 CZ PHE A 53 74.094 10.198 -26.540 1.00 0.00 C ATOM 0 H PHE A 53 73.515 5.922 -22.892 1.00 0.00 H new ATOM 0 HA PHE A 53 76.247 6.608 -23.950 1.00 0.00 H new ATOM 0 HB2 PHE A 53 73.985 7.846 -22.336 1.00 0.00 H new ATOM 0 HB3 PHE A 53 75.586 8.554 -22.268 1.00 0.00 H new ATOM 0 HD1 PHE A 53 74.019 6.993 -25.316 1.00 0.00 H new ATOM 0 HD2 PHE A 53 75.170 10.655 -23.315 1.00 0.00 H new ATOM 0 HE1 PHE A 53 73.549 8.283 -27.399 1.00 0.00 H new ATOM 0 HE2 PHE A 53 74.698 11.939 -25.400 1.00 0.00 H new ATOM 0 HZ PHE A 53 73.893 10.755 -27.443 1.00 0.00 H new ATOM 858 N GLN A 54 77.607 6.173 -21.925 1.00 0.00 N ATOM 859 CA GLN A 54 78.433 5.532 -20.847 1.00 0.00 C ATOM 860 C GLN A 54 78.210 6.228 -19.500 1.00 0.00 C ATOM 861 O GLN A 54 78.089 7.437 -19.427 1.00 0.00 O ATOM 862 CB GLN A 54 79.888 5.696 -21.295 1.00 0.00 C ATOM 863 CG GLN A 54 80.131 4.871 -22.561 1.00 0.00 C ATOM 864 CD GLN A 54 81.609 4.954 -22.949 1.00 0.00 C ATOM 865 OE1 GLN A 54 82.441 4.288 -22.366 1.00 0.00 O ATOM 866 NE2 GLN A 54 81.972 5.750 -23.917 1.00 0.00 N ATOM 0 H GLN A 54 78.142 6.644 -22.655 1.00 0.00 H new ATOM 0 HA GLN A 54 78.163 4.485 -20.708 1.00 0.00 H new ATOM 0 HB2 GLN A 54 80.104 6.747 -21.487 1.00 0.00 H new ATOM 0 HB3 GLN A 54 80.562 5.372 -20.502 1.00 0.00 H new ATOM 0 HG2 GLN A 54 79.846 3.833 -22.391 1.00 0.00 H new ATOM 0 HG3 GLN A 54 79.509 5.243 -23.375 1.00 0.00 H new ATOM 0 HE21 GLN A 54 81.273 6.309 -24.407 1.00 0.00 H new ATOM 0 HE22 GLN A 54 82.954 5.813 -24.184 1.00 0.00 H new ATOM 875 N ILE A 55 78.157 5.463 -18.434 1.00 0.00 N ATOM 876 CA ILE A 55 78.019 6.060 -17.068 1.00 0.00 C ATOM 877 C ILE A 55 79.240 5.680 -16.220 1.00 0.00 C ATOM 878 O ILE A 55 79.710 4.558 -16.267 1.00 0.00 O ATOM 879 CB ILE A 55 76.733 5.452 -16.479 1.00 0.00 C ATOM 880 CG1 ILE A 55 75.536 5.807 -17.373 1.00 0.00 C ATOM 881 CG2 ILE A 55 76.488 6.014 -15.074 1.00 0.00 C ATOM 882 CD1 ILE A 55 74.317 4.982 -16.953 1.00 0.00 C ATOM 0 H ILE A 55 78.204 4.444 -18.453 1.00 0.00 H new ATOM 0 HA ILE A 55 77.964 7.148 -17.092 1.00 0.00 H new ATOM 0 HB ILE A 55 76.846 4.369 -16.426 1.00 0.00 H new ATOM 0 HG12 ILE A 55 75.313 6.871 -17.293 1.00 0.00 H new ATOM 0 HG13 ILE A 55 75.778 5.610 -18.417 1.00 0.00 H new ATOM 0 HG21 ILE A 55 75.577 5.580 -14.662 1.00 0.00 H new ATOM 0 HG22 ILE A 55 77.332 5.765 -14.430 1.00 0.00 H new ATOM 0 HG23 ILE A 55 76.381 7.097 -15.129 1.00 0.00 H new ATOM 0 HD11 ILE A 55 73.469 5.236 -17.589 1.00 0.00 H new ATOM 0 HD12 ILE A 55 74.543 3.921 -17.056 1.00 0.00 H new ATOM 0 HD13 ILE A 55 74.070 5.201 -15.914 1.00 0.00 H new ATOM 894 N ALA A 56 79.753 6.609 -15.448 1.00 0.00 N ATOM 895 CA ALA A 56 80.954 6.314 -14.601 1.00 0.00 C ATOM 896 C ALA A 56 80.588 5.305 -13.495 1.00 0.00 C ATOM 897 O ALA A 56 79.816 5.630 -12.614 1.00 0.00 O ATOM 898 CB ALA A 56 81.353 7.656 -13.981 1.00 0.00 C ATOM 0 H ALA A 56 79.392 7.560 -15.368 1.00 0.00 H new ATOM 0 HA ALA A 56 81.766 5.877 -15.183 1.00 0.00 H new ATOM 0 HB1 ALA A 56 82.228 7.518 -13.346 1.00 0.00 H new ATOM 0 HB2 ALA A 56 81.588 8.367 -14.773 1.00 0.00 H new ATOM 0 HB3 ALA A 56 80.527 8.040 -13.382 1.00 0.00 H new ATOM 904 N PRO A 57 81.151 4.107 -13.564 1.00 0.00 N ATOM 905 CA PRO A 57 80.848 3.067 -12.541 1.00 0.00 C ATOM 906 C PRO A 57 81.342 3.514 -11.159 1.00 0.00 C ATOM 907 O PRO A 57 82.385 4.130 -11.036 1.00 0.00 O ATOM 908 CB PRO A 57 81.613 1.826 -13.019 1.00 0.00 C ATOM 909 CG PRO A 57 82.012 2.114 -14.432 1.00 0.00 C ATOM 910 CD PRO A 57 82.098 3.607 -14.573 1.00 0.00 C ATOM 0 HA PRO A 57 79.779 2.879 -12.439 1.00 0.00 H new ATOM 0 HB2 PRO A 57 82.488 1.641 -12.395 1.00 0.00 H new ATOM 0 HB3 PRO A 57 80.988 0.935 -12.963 1.00 0.00 H new ATOM 0 HG2 PRO A 57 82.971 1.650 -14.663 1.00 0.00 H new ATOM 0 HG3 PRO A 57 81.282 1.703 -15.129 1.00 0.00 H new ATOM 0 HD2 PRO A 57 83.109 3.969 -14.388 1.00 0.00 H new ATOM 0 HD3 PRO A 57 81.822 3.931 -15.577 1.00 0.00 H new ATOM 918 N GLN A 58 80.599 3.204 -10.125 1.00 0.00 N ATOM 919 CA GLN A 58 81.018 3.597 -8.745 1.00 0.00 C ATOM 920 C GLN A 58 81.569 2.383 -7.992 1.00 0.00 C ATOM 921 O GLN A 58 80.828 1.502 -7.595 1.00 0.00 O ATOM 922 CB GLN A 58 79.742 4.110 -8.074 1.00 0.00 C ATOM 923 CG GLN A 58 79.292 5.407 -8.751 1.00 0.00 C ATOM 924 CD GLN A 58 77.971 5.877 -8.137 1.00 0.00 C ATOM 925 OE1 GLN A 58 77.134 5.074 -7.775 1.00 0.00 O ATOM 926 NE2 GLN A 58 77.746 7.156 -8.003 1.00 0.00 N ATOM 0 H GLN A 58 79.717 2.694 -10.178 1.00 0.00 H new ATOM 0 HA GLN A 58 81.806 4.350 -8.752 1.00 0.00 H new ATOM 0 HB2 GLN A 58 78.955 3.359 -8.144 1.00 0.00 H new ATOM 0 HB3 GLN A 58 79.922 4.285 -7.013 1.00 0.00 H new ATOM 0 HG2 GLN A 58 80.055 6.176 -8.629 1.00 0.00 H new ATOM 0 HG3 GLN A 58 79.170 5.246 -9.822 1.00 0.00 H new ATOM 0 HE21 GLN A 58 78.447 7.832 -8.306 1.00 0.00 H new ATOM 0 HE22 GLN A 58 76.869 7.480 -7.595 1.00 0.00 H new ATOM 935 N SER A 59 82.865 2.333 -7.797 1.00 0.00 N ATOM 936 CA SER A 59 83.477 1.183 -7.061 1.00 0.00 C ATOM 937 C SER A 59 83.613 1.516 -5.572 1.00 0.00 C ATOM 938 O SER A 59 83.510 0.648 -4.724 1.00 0.00 O ATOM 939 CB SER A 59 84.855 0.991 -7.696 1.00 0.00 C ATOM 940 OG SER A 59 85.674 2.112 -7.389 1.00 0.00 O ATOM 0 H SER A 59 83.526 3.041 -8.117 1.00 0.00 H new ATOM 0 HA SER A 59 82.868 0.281 -7.129 1.00 0.00 H new ATOM 0 HB2 SER A 59 85.316 0.076 -7.323 1.00 0.00 H new ATOM 0 HB3 SER A 59 84.758 0.882 -8.776 1.00 0.00 H new ATOM 0 HG SER A 59 86.559 1.991 -7.793 1.00 0.00 H new ATOM 946 N GLN A 60 83.845 2.768 -5.251 1.00 0.00 N ATOM 947 CA GLN A 60 84.002 3.171 -3.814 1.00 0.00 C ATOM 948 C GLN A 60 82.709 2.907 -3.034 1.00 0.00 C ATOM 949 O GLN A 60 81.627 2.913 -3.593 1.00 0.00 O ATOM 950 CB GLN A 60 84.305 4.673 -3.843 1.00 0.00 C ATOM 951 CG GLN A 60 85.665 4.910 -4.503 1.00 0.00 C ATOM 952 CD GLN A 60 85.951 6.412 -4.566 1.00 0.00 C ATOM 953 OE1 GLN A 60 85.054 7.208 -4.767 1.00 0.00 O ATOM 954 NE2 GLN A 60 87.173 6.839 -4.401 1.00 0.00 N ATOM 0 H GLN A 60 83.933 3.530 -5.923 1.00 0.00 H new ATOM 0 HA GLN A 60 84.792 2.603 -3.322 1.00 0.00 H new ATOM 0 HB2 GLN A 60 83.526 5.201 -4.393 1.00 0.00 H new ATOM 0 HB3 GLN A 60 84.307 5.073 -2.829 1.00 0.00 H new ATOM 0 HG2 GLN A 60 86.448 4.404 -3.938 1.00 0.00 H new ATOM 0 HG3 GLN A 60 85.672 4.486 -5.507 1.00 0.00 H new ATOM 0 HE21 GLN A 60 87.927 6.174 -4.232 1.00 0.00 H new ATOM 0 HE22 GLN A 60 87.374 7.838 -4.441 1.00 0.00 H new ATOM 963 N ILE A 61 82.819 2.675 -1.749 1.00 0.00 N ATOM 964 CA ILE A 61 81.601 2.429 -0.913 1.00 0.00 C ATOM 965 C ILE A 61 81.178 3.732 -0.225 1.00 0.00 C ATOM 966 O ILE A 61 82.007 4.503 0.218 1.00 0.00 O ATOM 967 CB ILE A 61 82.029 1.381 0.131 1.00 0.00 C ATOM 968 CG1 ILE A 61 82.594 0.121 -0.562 1.00 0.00 C ATOM 969 CG2 ILE A 61 80.823 0.988 0.996 1.00 0.00 C ATOM 970 CD1 ILE A 61 81.559 -0.481 -1.524 1.00 0.00 C ATOM 0 H ILE A 61 83.703 2.645 -1.241 1.00 0.00 H new ATOM 0 HA ILE A 61 80.753 2.082 -1.504 1.00 0.00 H new ATOM 0 HB ILE A 61 82.807 1.817 0.758 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.501 0.377 -1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 61 82.873 -0.618 0.189 1.00 0.00 H new ATOM 0 HG21 ILE A 61 81.130 0.246 1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 61 80.439 1.871 1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 61 80.042 0.568 0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 61 81.978 -1.367 -2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 61 80.663 -0.757 -0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 61 81.301 0.254 -2.287 1.00 0.00 H new ATOM 982 N TYR A 62 79.892 3.977 -0.134 1.00 0.00 N ATOM 983 CA TYR A 62 79.410 5.256 0.471 1.00 0.00 C ATOM 984 C TYR A 62 79.061 5.049 1.947 1.00 0.00 C ATOM 985 O TYR A 62 78.127 4.344 2.276 1.00 0.00 O ATOM 986 CB TYR A 62 78.159 5.622 -0.325 1.00 0.00 C ATOM 987 CG TYR A 62 78.441 5.943 -1.774 1.00 0.00 C ATOM 988 CD1 TYR A 62 78.947 7.217 -2.131 1.00 0.00 C ATOM 989 CD2 TYR A 62 78.198 4.972 -2.776 1.00 0.00 C ATOM 990 CE1 TYR A 62 79.210 7.519 -3.488 1.00 0.00 C ATOM 991 CE2 TYR A 62 78.462 5.274 -4.133 1.00 0.00 C ATOM 992 CZ TYR A 62 78.969 6.548 -4.490 1.00 0.00 C ATOM 993 OH TYR A 62 79.226 6.843 -5.814 1.00 0.00 O ATOM 0 H TYR A 62 79.157 3.346 -0.453 1.00 0.00 H new ATOM 0 HA TYR A 62 80.166 6.040 0.431 1.00 0.00 H new ATOM 0 HB2 TYR A 62 77.451 4.795 -0.275 1.00 0.00 H new ATOM 0 HB3 TYR A 62 77.679 6.481 0.143 1.00 0.00 H new ATOM 0 HD1 TYR A 62 79.132 7.958 -1.367 1.00 0.00 H new ATOM 0 HD2 TYR A 62 77.811 4.001 -2.504 1.00 0.00 H new ATOM 0 HE1 TYR A 62 79.595 8.491 -3.760 1.00 0.00 H new ATOM 0 HE2 TYR A 62 78.277 4.533 -4.897 1.00 0.00 H new ATOM 0 HH TYR A 62 80.002 6.328 -6.119 1.00 0.00 H new ATOM 1003 N ASP A 63 79.812 5.660 2.835 1.00 0.00 N ATOM 1004 CA ASP A 63 79.490 5.588 4.304 1.00 0.00 C ATOM 1005 C ASP A 63 78.026 5.962 4.576 1.00 0.00 C ATOM 1006 O ASP A 63 77.366 5.356 5.400 1.00 0.00 O ATOM 1007 CB ASP A 63 80.417 6.615 4.963 1.00 0.00 C ATOM 1008 CG ASP A 63 81.872 6.156 4.834 1.00 0.00 C ATOM 1009 OD1 ASP A 63 82.121 4.976 5.023 1.00 0.00 O ATOM 1010 OD2 ASP A 63 82.713 6.994 4.547 1.00 0.00 O ATOM 0 H ASP A 63 80.640 6.210 2.606 1.00 0.00 H new ATOM 0 HA ASP A 63 79.631 4.579 4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 63 80.290 7.589 4.491 1.00 0.00 H new ATOM 0 HB3 ASP A 63 80.155 6.734 6.014 1.00 0.00 H new ATOM 1015 N TYR A 64 77.520 6.958 3.886 1.00 0.00 N ATOM 1016 CA TYR A 64 76.138 7.455 4.169 1.00 0.00 C ATOM 1017 C TYR A 64 75.532 8.078 2.909 1.00 0.00 C ATOM 1018 O TYR A 64 76.137 8.920 2.271 1.00 0.00 O ATOM 1019 CB TYR A 64 76.321 8.518 5.255 1.00 0.00 C ATOM 1020 CG TYR A 64 75.031 8.970 5.908 1.00 0.00 C ATOM 1021 CD1 TYR A 64 74.047 9.657 5.153 1.00 0.00 C ATOM 1022 CD2 TYR A 64 74.814 8.717 7.285 1.00 0.00 C ATOM 1023 CE1 TYR A 64 72.850 10.087 5.775 1.00 0.00 C ATOM 1024 CE2 TYR A 64 73.616 9.149 7.904 1.00 0.00 C ATOM 1025 CZ TYR A 64 72.635 9.833 7.149 1.00 0.00 C ATOM 1026 OH TYR A 64 71.468 10.254 7.755 1.00 0.00 O ATOM 0 H TYR A 64 78.008 7.449 3.137 1.00 0.00 H new ATOM 0 HA TYR A 64 75.466 6.657 4.483 1.00 0.00 H new ATOM 0 HB2 TYR A 64 76.985 8.124 6.024 1.00 0.00 H new ATOM 0 HB3 TYR A 64 76.817 9.385 4.819 1.00 0.00 H new ATOM 0 HD1 TYR A 64 74.211 9.852 4.103 1.00 0.00 H new ATOM 0 HD2 TYR A 64 75.562 8.195 7.863 1.00 0.00 H new ATOM 0 HE1 TYR A 64 72.100 10.610 5.199 1.00 0.00 H new ATOM 0 HE2 TYR A 64 73.451 8.956 8.954 1.00 0.00 H new ATOM 0 HH TYR A 64 71.480 9.998 8.701 1.00 0.00 H new ATOM 1036 N ILE A 65 74.339 7.670 2.549 1.00 0.00 N ATOM 1037 CA ILE A 65 73.606 8.355 1.433 1.00 0.00 C ATOM 1038 C ILE A 65 72.202 8.759 1.904 1.00 0.00 C ATOM 1039 O ILE A 65 71.463 7.954 2.442 1.00 0.00 O ATOM 1040 CB ILE A 65 73.533 7.332 0.284 1.00 0.00 C ATOM 1041 CG1 ILE A 65 74.956 6.979 -0.178 1.00 0.00 C ATOM 1042 CG2 ILE A 65 72.749 7.932 -0.896 1.00 0.00 C ATOM 1043 CD1 ILE A 65 74.903 5.930 -1.298 1.00 0.00 C ATOM 0 H ILE A 65 73.839 6.892 2.979 1.00 0.00 H new ATOM 0 HA ILE A 65 74.109 9.266 1.109 1.00 0.00 H new ATOM 0 HB ILE A 65 73.027 6.432 0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 65 75.464 7.876 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 65 75.535 6.596 0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 65 72.699 7.205 -1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 65 71.739 8.183 -0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 65 73.252 8.833 -1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 65 75.916 5.687 -1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 65 74.413 5.029 -0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 65 74.342 6.328 -2.143 1.00 0.00 H new ATOM 1055 N LEU A 66 71.840 10.003 1.701 1.00 0.00 N ATOM 1056 CA LEU A 66 70.457 10.460 2.045 1.00 0.00 C ATOM 1057 C LEU A 66 69.534 10.277 0.836 1.00 0.00 C ATOM 1058 O LEU A 66 69.904 10.578 -0.284 1.00 0.00 O ATOM 1059 CB LEU A 66 70.599 11.944 2.397 1.00 0.00 C ATOM 1060 CG LEU A 66 69.267 12.478 2.930 1.00 0.00 C ATOM 1061 CD1 LEU A 66 69.000 11.900 4.322 1.00 0.00 C ATOM 1062 CD2 LEU A 66 69.331 14.006 3.017 1.00 0.00 C ATOM 0 H LEU A 66 72.446 10.724 1.310 1.00 0.00 H new ATOM 0 HA LEU A 66 70.025 9.892 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 66 71.381 12.077 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 66 70.902 12.509 1.516 1.00 0.00 H new ATOM 0 HG LEU A 66 68.463 12.182 2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.051 12.282 4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 66 68.955 10.813 4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.803 12.193 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 66 68.384 14.389 3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 66 70.136 14.299 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 66 69.519 14.419 2.026 1.00 0.00 H new ATOM 1074 N PHE A 67 68.340 9.787 1.059 1.00 0.00 N ATOM 1075 CA PHE A 67 67.422 9.484 -0.080 1.00 0.00 C ATOM 1076 C PHE A 67 66.005 9.984 0.223 1.00 0.00 C ATOM 1077 O PHE A 67 65.451 9.699 1.267 1.00 0.00 O ATOM 1078 CB PHE A 67 67.434 7.958 -0.199 1.00 0.00 C ATOM 1079 CG PHE A 67 68.501 7.416 -1.123 1.00 0.00 C ATOM 1080 CD1 PHE A 67 68.715 8.013 -2.391 1.00 0.00 C ATOM 1081 CD2 PHE A 67 69.270 6.295 -0.732 1.00 0.00 C ATOM 1082 CE1 PHE A 67 69.696 7.486 -3.261 1.00 0.00 C ATOM 1083 CE2 PHE A 67 70.256 5.771 -1.602 1.00 0.00 C ATOM 1084 CZ PHE A 67 70.469 6.367 -2.868 1.00 0.00 C ATOM 0 H PHE A 67 67.961 9.583 1.984 1.00 0.00 H new ATOM 0 HA PHE A 67 67.738 9.973 -1.002 1.00 0.00 H new ATOM 0 HB2 PHE A 67 67.576 7.529 0.793 1.00 0.00 H new ATOM 0 HB3 PHE A 67 66.459 7.625 -0.554 1.00 0.00 H new ATOM 0 HD1 PHE A 67 68.129 8.869 -2.692 1.00 0.00 H new ATOM 0 HD2 PHE A 67 69.104 5.838 0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 67 69.856 7.938 -4.229 1.00 0.00 H new ATOM 0 HE2 PHE A 67 70.845 4.918 -1.300 1.00 0.00 H new ATOM 0 HZ PHE A 67 71.220 5.969 -3.534 1.00 0.00 H new ATOM 1094 N ARG A 68 65.422 10.727 -0.686 1.00 0.00 N ATOM 1095 CA ARG A 68 63.989 11.127 -0.532 1.00 0.00 C ATOM 1096 C ARG A 68 63.076 10.096 -1.209 1.00 0.00 C ATOM 1097 O ARG A 68 63.428 9.505 -2.217 1.00 0.00 O ATOM 1098 CB ARG A 68 63.870 12.485 -1.231 1.00 0.00 C ATOM 1099 CG ARG A 68 64.704 13.526 -0.481 1.00 0.00 C ATOM 1100 CD ARG A 68 64.523 14.898 -1.140 1.00 0.00 C ATOM 1101 NE ARG A 68 65.542 15.788 -0.491 1.00 0.00 N ATOM 1102 CZ ARG A 68 65.458 17.101 -0.574 1.00 0.00 C ATOM 1103 NH1 ARG A 68 64.487 17.692 -1.231 1.00 0.00 N ATOM 1104 NH2 ARG A 68 66.367 17.835 0.010 1.00 0.00 N ATOM 0 H ARG A 68 65.878 11.074 -1.530 1.00 0.00 H new ATOM 0 HA ARG A 68 63.690 11.182 0.515 1.00 0.00 H new ATOM 0 HB2 ARG A 68 64.213 12.405 -2.263 1.00 0.00 H new ATOM 0 HB3 ARG A 68 62.826 12.797 -1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 68 64.397 13.569 0.564 1.00 0.00 H new ATOM 0 HG3 ARG A 68 65.756 13.241 -0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 68 64.680 14.841 -2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 68 63.513 15.278 -0.985 1.00 0.00 H new ATOM 0 HE ARG A 68 66.315 15.369 0.025 1.00 0.00 H new ATOM 0 HH11 ARG A 68 63.771 17.133 -1.695 1.00 0.00 H new ATOM 0 HH12 ARG A 68 64.449 18.710 -1.278 1.00 0.00 H new ATOM 0 HH21 ARG A 68 67.129 17.391 0.522 1.00 0.00 H new ATOM 0 HH22 ARG A 68 66.315 18.852 -0.046 1.00 0.00 H new ATOM 1118 N GLY A 69 61.903 9.877 -0.663 1.00 0.00 N ATOM 1119 CA GLY A 69 60.951 8.888 -1.266 1.00 0.00 C ATOM 1120 C GLY A 69 60.618 9.275 -2.716 1.00 0.00 C ATOM 1121 O GLY A 69 60.275 8.430 -3.523 1.00 0.00 O ATOM 0 H GLY A 69 61.562 10.343 0.178 1.00 0.00 H new ATOM 0 HA2 GLY A 69 61.390 7.891 -1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.036 8.848 -0.675 1.00 0.00 H new ATOM 1125 N SER A 70 60.718 10.541 -3.050 1.00 0.00 N ATOM 1126 CA SER A 70 60.349 10.993 -4.431 1.00 0.00 C ATOM 1127 C SER A 70 61.336 10.443 -5.468 1.00 0.00 C ATOM 1128 O SER A 70 60.948 10.083 -6.565 1.00 0.00 O ATOM 1129 CB SER A 70 60.416 12.521 -4.390 1.00 0.00 C ATOM 1130 OG SER A 70 61.769 12.926 -4.219 1.00 0.00 O ATOM 0 H SER A 70 61.039 11.281 -2.426 1.00 0.00 H new ATOM 0 HA SER A 70 59.361 10.635 -4.719 1.00 0.00 H new ATOM 0 HB2 SER A 70 60.013 12.939 -5.312 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.804 12.902 -3.573 1.00 0.00 H new ATOM 0 HG SER A 70 61.817 13.905 -4.194 1.00 0.00 H new ATOM 1136 N ASP A 71 62.603 10.376 -5.134 1.00 0.00 N ATOM 1137 CA ASP A 71 63.627 9.948 -6.143 1.00 0.00 C ATOM 1138 C ASP A 71 63.690 8.420 -6.245 1.00 0.00 C ATOM 1139 O ASP A 71 63.991 7.878 -7.293 1.00 0.00 O ATOM 1140 CB ASP A 71 64.966 10.534 -5.663 1.00 0.00 C ATOM 1141 CG ASP A 71 65.338 9.981 -4.282 1.00 0.00 C ATOM 1142 OD1 ASP A 71 65.614 8.798 -4.194 1.00 0.00 O ATOM 1143 OD2 ASP A 71 65.344 10.753 -3.339 1.00 0.00 O ATOM 0 H ASP A 71 62.973 10.598 -4.210 1.00 0.00 H new ATOM 0 HA ASP A 71 63.378 10.308 -7.141 1.00 0.00 H new ATOM 0 HB2 ASP A 71 65.751 10.293 -6.380 1.00 0.00 H new ATOM 0 HB3 ASP A 71 64.897 11.621 -5.618 1.00 0.00 H new ATOM 1148 N ILE A 72 63.411 7.722 -5.169 1.00 0.00 N ATOM 1149 CA ILE A 72 63.388 6.226 -5.228 1.00 0.00 C ATOM 1150 C ILE A 72 61.942 5.717 -5.242 1.00 0.00 C ATOM 1151 O ILE A 72 61.072 6.261 -4.588 1.00 0.00 O ATOM 1152 CB ILE A 72 64.181 5.776 -3.988 1.00 0.00 C ATOM 1153 CG1 ILE A 72 65.679 5.878 -4.313 1.00 0.00 C ATOM 1154 CG2 ILE A 72 63.850 4.322 -3.609 1.00 0.00 C ATOM 1155 CD1 ILE A 72 66.469 6.153 -3.038 1.00 0.00 C ATOM 0 H ILE A 72 63.199 8.123 -4.255 1.00 0.00 H new ATOM 0 HA ILE A 72 63.836 5.819 -6.135 1.00 0.00 H new ATOM 0 HB ILE A 72 63.914 6.416 -3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 72 66.024 4.952 -4.772 1.00 0.00 H new ATOM 0 HG13 ILE A 72 65.850 6.676 -5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 72 64.426 4.035 -2.730 1.00 0.00 H new ATOM 0 HG22 ILE A 72 62.786 4.237 -3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 72 64.103 3.663 -4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 72 67.530 6.224 -3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 72 66.132 7.091 -2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 72 66.310 5.341 -2.329 1.00 0.00 H new ATOM 1167 N LYS A 73 61.694 4.668 -5.991 1.00 0.00 N ATOM 1168 CA LYS A 73 60.290 4.263 -6.292 1.00 0.00 C ATOM 1169 C LYS A 73 59.876 3.034 -5.476 1.00 0.00 C ATOM 1170 O LYS A 73 58.701 2.827 -5.232 1.00 0.00 O ATOM 1171 CB LYS A 73 60.289 3.936 -7.786 1.00 0.00 C ATOM 1172 CG LYS A 73 58.848 3.755 -8.269 1.00 0.00 C ATOM 1173 CD LYS A 73 58.851 3.371 -9.751 1.00 0.00 C ATOM 1174 CE LYS A 73 57.413 3.351 -10.276 1.00 0.00 C ATOM 1175 NZ LYS A 73 57.520 2.834 -11.668 1.00 0.00 N ATOM 0 H LYS A 73 62.411 4.074 -6.408 1.00 0.00 H new ATOM 0 HA LYS A 73 59.581 5.050 -6.035 1.00 0.00 H new ATOM 0 HB2 LYS A 73 60.773 4.737 -8.345 1.00 0.00 H new ATOM 0 HB3 LYS A 73 60.862 3.027 -7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 73 58.351 2.982 -7.683 1.00 0.00 H new ATOM 0 HG3 LYS A 73 58.285 4.677 -8.122 1.00 0.00 H new ATOM 0 HD2 LYS A 73 59.448 4.083 -10.321 1.00 0.00 H new ATOM 0 HD3 LYS A 73 59.311 2.392 -9.883 1.00 0.00 H new ATOM 0 HE2 LYS A 73 56.778 2.710 -9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 73 56.972 4.348 -10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 56.573 2.791 -12.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 58.125 3.468 -12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 57.937 1.881 -11.653 1.00 0.00 H new ATOM 1189 N ASP A 74 60.813 2.215 -5.047 1.00 0.00 N ATOM 1190 CA ASP A 74 60.417 0.981 -4.296 1.00 0.00 C ATOM 1191 C ASP A 74 61.513 0.543 -3.320 1.00 0.00 C ATOM 1192 O ASP A 74 62.684 0.535 -3.648 1.00 0.00 O ATOM 1193 CB ASP A 74 60.188 -0.085 -5.369 1.00 0.00 C ATOM 1194 CG ASP A 74 59.528 -1.314 -4.739 1.00 0.00 C ATOM 1195 OD1 ASP A 74 58.316 -1.306 -4.604 1.00 0.00 O ATOM 1196 OD2 ASP A 74 60.247 -2.241 -4.402 1.00 0.00 O ATOM 0 H ASP A 74 61.816 2.346 -5.182 1.00 0.00 H new ATOM 0 HA ASP A 74 59.527 1.151 -3.690 1.00 0.00 H new ATOM 0 HB2 ASP A 74 59.556 0.313 -6.163 1.00 0.00 H new ATOM 0 HB3 ASP A 74 61.137 -0.364 -5.827 1.00 0.00 H new ATOM 1201 N ILE A 75 61.125 0.179 -2.120 1.00 0.00 N ATOM 1202 CA ILE A 75 62.106 -0.332 -1.114 1.00 0.00 C ATOM 1203 C ILE A 75 61.576 -1.630 -0.481 1.00 0.00 C ATOM 1204 O ILE A 75 60.397 -1.754 -0.206 1.00 0.00 O ATOM 1205 CB ILE A 75 62.233 0.794 -0.070 1.00 0.00 C ATOM 1206 CG1 ILE A 75 63.262 0.398 0.993 1.00 0.00 C ATOM 1207 CG2 ILE A 75 60.880 1.054 0.607 1.00 0.00 C ATOM 1208 CD1 ILE A 75 63.651 1.630 1.813 1.00 0.00 C ATOM 0 H ILE A 75 60.159 0.215 -1.793 1.00 0.00 H new ATOM 0 HA ILE A 75 63.074 -0.573 -1.553 1.00 0.00 H new ATOM 0 HB ILE A 75 62.557 1.703 -0.577 1.00 0.00 H new ATOM 0 HG12 ILE A 75 62.848 -0.370 1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 75 64.145 -0.029 0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 75 60.988 1.852 1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 75 60.148 1.349 -0.145 1.00 0.00 H new ATOM 0 HG23 ILE A 75 60.542 0.146 1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 75 64.383 1.347 2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 75 64.082 2.384 1.154 1.00 0.00 H new ATOM 0 HD13 ILE A 75 62.765 2.037 2.300 1.00 0.00 H new ATOM 1220 N ARG A 76 62.439 -2.590 -0.250 1.00 0.00 N ATOM 1221 CA ARG A 76 61.994 -3.876 0.375 1.00 0.00 C ATOM 1222 C ARG A 76 63.105 -4.450 1.261 1.00 0.00 C ATOM 1223 O ARG A 76 64.272 -4.391 0.920 1.00 0.00 O ATOM 1224 CB ARG A 76 61.705 -4.815 -0.797 1.00 0.00 C ATOM 1225 CG ARG A 76 60.490 -4.309 -1.579 1.00 0.00 C ATOM 1226 CD ARG A 76 60.057 -5.373 -2.593 1.00 0.00 C ATOM 1227 NE ARG A 76 59.013 -4.712 -3.441 1.00 0.00 N ATOM 1228 CZ ARG A 76 58.200 -5.418 -4.203 1.00 0.00 C ATOM 1229 NH1 ARG A 76 58.267 -6.728 -4.257 1.00 0.00 N ATOM 1230 NH2 ARG A 76 57.306 -4.798 -4.924 1.00 0.00 N ATOM 0 H ARG A 76 63.434 -2.538 -0.468 1.00 0.00 H new ATOM 0 HA ARG A 76 61.119 -3.740 1.011 1.00 0.00 H new ATOM 0 HB2 ARG A 76 62.574 -4.871 -1.453 1.00 0.00 H new ATOM 0 HB3 ARG A 76 61.518 -5.824 -0.429 1.00 0.00 H new ATOM 0 HG2 ARG A 76 59.670 -4.088 -0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 76 60.736 -3.380 -2.093 1.00 0.00 H new ATOM 0 HD2 ARG A 76 60.901 -5.707 -3.197 1.00 0.00 H new ATOM 0 HD3 ARG A 76 59.656 -6.254 -2.091 1.00 0.00 H new ATOM 0 HE ARG A 76 58.929 -3.696 -3.429 1.00 0.00 H new ATOM 0 HH11 ARG A 76 58.961 -7.227 -3.700 1.00 0.00 H new ATOM 0 HH12 ARG A 76 57.625 -7.247 -4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 76 57.243 -3.780 -4.894 1.00 0.00 H new ATOM 0 HH22 ARG A 76 56.671 -5.331 -5.518 1.00 0.00 H new ATOM 1244 N VAL A 77 62.746 -5.004 2.394 1.00 0.00 N ATOM 1245 CA VAL A 77 63.774 -5.606 3.304 1.00 0.00 C ATOM 1246 C VAL A 77 64.057 -7.060 2.893 1.00 0.00 C ATOM 1247 O VAL A 77 63.180 -7.759 2.420 1.00 0.00 O ATOM 1248 CB VAL A 77 63.170 -5.520 4.721 1.00 0.00 C ATOM 1249 CG1 VAL A 77 61.873 -6.338 4.820 1.00 0.00 C ATOM 1250 CG2 VAL A 77 64.181 -6.053 5.742 1.00 0.00 C ATOM 0 H VAL A 77 61.785 -5.066 2.729 1.00 0.00 H new ATOM 0 HA VAL A 77 64.729 -5.083 3.257 1.00 0.00 H new ATOM 0 HB VAL A 77 62.939 -4.476 4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 77 61.469 -6.259 5.829 1.00 0.00 H new ATOM 0 HG12 VAL A 77 61.144 -5.953 4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 77 62.084 -7.383 4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 77 63.754 -5.992 6.743 1.00 0.00 H new ATOM 0 HG22 VAL A 77 64.418 -7.092 5.511 1.00 0.00 H new ATOM 0 HG23 VAL A 77 65.091 -5.455 5.699 1.00 0.00 H new ATOM 1260 N VAL A 78 65.276 -7.513 3.071 1.00 0.00 N ATOM 1261 CA VAL A 78 65.629 -8.911 2.668 1.00 0.00 C ATOM 1262 C VAL A 78 65.480 -9.853 3.869 1.00 0.00 C ATOM 1263 O VAL A 78 65.913 -9.547 4.965 1.00 0.00 O ATOM 1264 CB VAL A 78 67.094 -8.844 2.204 1.00 0.00 C ATOM 1265 CG1 VAL A 78 67.553 -10.227 1.730 1.00 0.00 C ATOM 1266 CG2 VAL A 78 67.229 -7.852 1.044 1.00 0.00 C ATOM 0 H VAL A 78 66.041 -6.975 3.478 1.00 0.00 H new ATOM 0 HA VAL A 78 64.979 -9.292 1.880 1.00 0.00 H new ATOM 0 HB VAL A 78 67.712 -8.517 3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 78 68.591 -10.173 1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 78 67.468 -10.940 2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 78 66.927 -10.553 0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 78 68.269 -7.810 0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 78 66.603 -8.177 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 78 66.911 -6.863 1.372 1.00 0.00 H new ATOM 1276 N ASN A 79 64.867 -10.994 3.664 1.00 0.00 N ATOM 1277 CA ASN A 79 64.685 -11.973 4.780 1.00 0.00 C ATOM 1278 C ASN A 79 65.352 -13.306 4.428 1.00 0.00 C ATOM 1279 O ASN A 79 65.561 -13.614 3.268 1.00 0.00 O ATOM 1280 CB ASN A 79 63.171 -12.150 4.910 1.00 0.00 C ATOM 1281 CG ASN A 79 62.547 -10.850 5.423 1.00 0.00 C ATOM 1282 OD1 ASN A 79 62.576 -9.841 4.748 1.00 0.00 O ATOM 1283 ND2 ASN A 79 61.979 -10.834 6.597 1.00 0.00 N ATOM 0 H ASN A 79 64.483 -11.290 2.767 1.00 0.00 H new ATOM 0 HA ASN A 79 65.136 -11.627 5.710 1.00 0.00 H new ATOM 0 HB2 ASN A 79 62.741 -12.416 3.944 1.00 0.00 H new ATOM 0 HB3 ASN A 79 62.947 -12.968 5.595 1.00 0.00 H new ATOM 0 HD21 ASN A 79 61.559 -9.974 6.949 1.00 0.00 H new ATOM 0 HD22 ASN A 79 61.955 -11.682 7.164 1.00 0.00 H new ATOM 1290 N ASN A 80 65.686 -14.094 5.421 1.00 0.00 N ATOM 1291 CA ASN A 80 66.331 -15.416 5.156 1.00 0.00 C ATOM 1292 C ASN A 80 65.287 -16.534 5.223 1.00 0.00 C ATOM 1293 O ASN A 80 64.479 -16.584 6.132 1.00 0.00 O ATOM 1294 CB ASN A 80 67.369 -15.583 6.268 1.00 0.00 C ATOM 1295 CG ASN A 80 68.475 -14.539 6.102 1.00 0.00 C ATOM 1296 OD1 ASN A 80 68.794 -13.823 7.030 1.00 0.00 O ATOM 1297 ND2 ASN A 80 69.078 -14.422 4.951 1.00 0.00 N ATOM 0 H ASN A 80 65.539 -13.877 6.407 1.00 0.00 H new ATOM 0 HA ASN A 80 66.785 -15.463 4.166 1.00 0.00 H new ATOM 0 HB2 ASN A 80 66.893 -15.471 7.242 1.00 0.00 H new ATOM 0 HB3 ASN A 80 67.794 -16.586 6.234 1.00 0.00 H new ATOM 0 HD21 ASN A 80 69.817 -13.729 4.831 1.00 0.00 H new ATOM 0 HD22 ASN A 80 68.810 -15.023 4.172 1.00 0.00 H new ATOM 1304 N HIS A 81 65.303 -17.431 4.266 1.00 0.00 N ATOM 1305 CA HIS A 81 64.309 -18.549 4.254 1.00 0.00 C ATOM 1306 C HIS A 81 65.026 -19.895 4.393 1.00 0.00 C ATOM 1307 O HIS A 81 66.071 -20.112 3.809 1.00 0.00 O ATOM 1308 CB HIS A 81 63.616 -18.449 2.895 1.00 0.00 C ATOM 1309 CG HIS A 81 62.860 -17.162 2.699 1.00 0.00 C ATOM 1310 ND1 HIS A 81 61.707 -16.867 3.409 1.00 0.00 N ATOM 1311 CD2 HIS A 81 63.079 -16.086 1.877 1.00 0.00 C ATOM 1312 CE1 HIS A 81 61.279 -15.657 3.005 1.00 0.00 C ATOM 1313 NE2 HIS A 81 62.081 -15.136 2.072 1.00 0.00 N ATOM 0 H HIS A 81 65.965 -17.436 3.490 1.00 0.00 H new ATOM 0 HA HIS A 81 63.600 -18.480 5.079 1.00 0.00 H new ATOM 0 HB2 HIS A 81 64.363 -18.546 2.107 1.00 0.00 H new ATOM 0 HB3 HIS A 81 62.927 -19.286 2.785 1.00 0.00 H new ATOM 0 HD2 HIS A 81 63.901 -15.991 1.183 1.00 0.00 H new ATOM 0 HE1 HIS A 81 60.396 -15.167 3.388 1.00 0.00 H new ATOM 0 HE2 HIS A 81 61.983 -14.235 1.603 1.00 0.00 H new ATOM 1321 N THR A 82 64.467 -20.797 5.164 1.00 0.00 N ATOM 1322 CA THR A 82 65.102 -22.140 5.347 1.00 0.00 C ATOM 1323 C THR A 82 64.054 -23.252 5.199 1.00 0.00 C ATOM 1324 O THR A 82 62.872 -23.026 5.381 1.00 0.00 O ATOM 1325 CB THR A 82 65.694 -22.122 6.767 1.00 0.00 C ATOM 1326 OG1 THR A 82 66.335 -23.362 7.024 1.00 0.00 O ATOM 1327 CG2 THR A 82 64.589 -21.892 7.809 1.00 0.00 C ATOM 0 H THR A 82 63.595 -20.660 5.676 1.00 0.00 H new ATOM 0 HA THR A 82 65.870 -22.336 4.598 1.00 0.00 H new ATOM 0 HB THR A 82 66.416 -21.308 6.837 1.00 0.00 H new ATOM 0 HG1 THR A 82 66.715 -23.353 7.927 1.00 0.00 H new ATOM 0 HG21 THR A 82 65.027 -21.882 8.807 1.00 0.00 H new ATOM 0 HG22 THR A 82 64.101 -20.936 7.617 1.00 0.00 H new ATOM 0 HG23 THR A 82 63.854 -22.694 7.743 1.00 0.00 H new ATOM 1335 N LEU A 83 64.485 -24.446 4.872 1.00 0.00 N ATOM 1336 CA LEU A 83 63.526 -25.578 4.704 1.00 0.00 C ATOM 1337 C LEU A 83 64.171 -26.892 5.182 1.00 0.00 C ATOM 1338 O LEU A 83 65.339 -27.119 4.927 1.00 0.00 O ATOM 1339 CB LEU A 83 63.246 -25.634 3.202 1.00 0.00 C ATOM 1340 CG LEU A 83 62.096 -26.606 2.927 1.00 0.00 C ATOM 1341 CD1 LEU A 83 60.768 -25.940 3.294 1.00 0.00 C ATOM 1342 CD2 LEU A 83 62.087 -26.975 1.443 1.00 0.00 C ATOM 0 H LEU A 83 65.464 -24.684 4.714 1.00 0.00 H new ATOM 0 HA LEU A 83 62.614 -25.441 5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 83 62.991 -24.641 2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 83 64.141 -25.953 2.667 1.00 0.00 H new ATOM 0 HG LEU A 83 62.229 -27.507 3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 83 59.948 -26.631 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 83 60.774 -25.674 4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 83 60.634 -25.040 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 83 61.269 -27.667 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 83 61.953 -26.074 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 83 63.033 -27.447 1.180 1.00 0.00 H new ATOM 1354 N PRO A 84 63.399 -27.726 5.861 1.00 0.00 N ATOM 1355 CA PRO A 84 63.940 -29.023 6.351 1.00 0.00 C ATOM 1356 C PRO A 84 64.226 -29.959 5.172 1.00 0.00 C ATOM 1357 O PRO A 84 65.175 -30.721 5.263 1.00 0.00 O ATOM 1358 CB PRO A 84 62.823 -29.582 7.233 1.00 0.00 C ATOM 1359 CG PRO A 84 61.577 -28.893 6.778 1.00 0.00 C ATOM 1360 CD PRO A 84 61.984 -27.550 6.234 1.00 0.00 C ATOM 1361 OXT PRO A 84 63.491 -29.898 4.200 1.00 0.00 O ATOM 0 HA PRO A 84 64.880 -28.914 6.892 1.00 0.00 H new ATOM 0 HB2 PRO A 84 62.738 -30.663 7.121 1.00 0.00 H new ATOM 0 HB3 PRO A 84 63.019 -29.385 8.287 1.00 0.00 H new ATOM 0 HG2 PRO A 84 61.070 -29.481 6.012 1.00 0.00 H new ATOM 0 HG3 PRO A 84 60.877 -28.777 7.606 1.00 0.00 H new ATOM 0 HD2 PRO A 84 61.377 -27.268 5.374 1.00 0.00 H new ATOM 0 HD3 PRO A 84 61.863 -26.765 6.980 1.00 0.00 H new TER 1369 PRO A 84