USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 847 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 23 TYR OH : rot 110:sc= 0.778 USER MOD Set 1.2: A 65 SER OG : rot 144:sc= 0.893 USER MOD Single : A 1 MET CE :methyl 169:sc= 0 (180deg=-0.0522) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.244 K(o=-0.24,f=-0.84) USER MOD Single : A 7 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.22) USER MOD Single : A 13 HIS : no HD1:sc= -0.0897 X(o=-0.09,f=-0.35) USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 169:sc= -0.0191 (180deg=-0.177) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc=-0.000324 (180deg=-0.0996) USER MOD Single : A 21 SER OG : rot -80:sc= -1.14 USER MOD Single : A 22 THR OG1 : rot -66:sc= 0.748 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 164:sc= -0.419 (180deg=-0.764) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 41 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0983) USER MOD Single : A 45 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.36) USER MOD Single : A 50 SER OG : rot -160:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -108:sc= -2.26! (180deg=-5.01!) USER MOD Single : A 59 ASN : amide:sc= -3.62! C(o=-3.6!,f=-4.4!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -160:sc= -0.08 (180deg=-0.392) USER MOD Single : A 74 GLN : amide:sc= -2.15! C(o=-2.2!,f=-4.5!) USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 1.13 (180deg=1.1) USER MOD Single : A 76 GLN : amide:sc= -0.714 X(o=-0.71,f=-0.69) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0273 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -112:sc= 0.964 (180deg=-0.102) USER MOD Single : A 96 TYR OH : rot 150:sc= 0.513 USER MOD Single : A 97 LYS NZ :NH3+ -135:sc= -0.305 (180deg=-1.5) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.915 -5.851 18.032 1.00 35.34 N ATOM 2 CA MET A 1 -8.992 -5.969 16.872 1.00 42.13 C ATOM 3 C MET A 1 -9.054 -7.389 16.282 1.00 52.23 C ATOM 4 O MET A 1 -8.294 -8.273 16.684 1.00 22.21 O ATOM 5 CB MET A 1 -7.558 -5.628 17.312 1.00 42.22 C ATOM 6 CG MET A 1 -6.562 -5.500 16.167 1.00 63.42 C ATOM 7 SD MET A 1 -6.992 -4.170 15.026 1.00 52.24 S ATOM 8 CE MET A 1 -5.556 -4.170 13.953 1.00 24.41 C ATOM 0 H1 MET A 1 -9.863 -4.888 18.420 1.00 35.34 H new ATOM 0 H2 MET A 1 -10.888 -6.048 17.723 1.00 35.34 H new ATOM 0 H3 MET A 1 -9.640 -6.535 18.765 1.00 35.34 H new ATOM 0 HA MET A 1 -9.299 -5.265 16.099 1.00 42.13 H new ATOM 0 HB2 MET A 1 -7.575 -4.691 17.869 1.00 42.22 H new ATOM 0 HB3 MET A 1 -7.208 -6.400 17.997 1.00 42.22 H new ATOM 0 HG2 MET A 1 -5.567 -5.319 16.573 1.00 63.42 H new ATOM 0 HG3 MET A 1 -6.517 -6.443 15.621 1.00 63.42 H new ATOM 0 HE1 MET A 1 -5.752 -3.543 13.083 1.00 24.41 H new ATOM 0 HE2 MET A 1 -4.696 -3.779 14.496 1.00 24.41 H new ATOM 0 HE3 MET A 1 -5.346 -5.188 13.626 1.00 24.41 H new ATOM 20 N ASP A 2 -9.972 -7.603 15.341 1.00 5.52 N ATOM 21 CA ASP A 2 -10.220 -8.939 14.786 1.00 71.24 C ATOM 22 C ASP A 2 -9.012 -9.476 14.003 1.00 70.14 C ATOM 23 O ASP A 2 -8.237 -8.706 13.423 1.00 10.54 O ATOM 24 CB ASP A 2 -11.459 -8.912 13.888 1.00 25.34 C ATOM 25 CG ASP A 2 -12.687 -8.408 14.626 1.00 61.30 C ATOM 26 OD1 ASP A 2 -13.158 -9.101 15.551 1.00 13.40 O ATOM 27 OD2 ASP A 2 -13.183 -7.311 14.292 1.00 15.15 O ATOM 0 H ASP A 2 -10.559 -6.869 14.944 1.00 5.52 H new ATOM 0 HA ASP A 2 -10.390 -9.614 15.625 1.00 71.24 H new ATOM 0 HB2 ASP A 2 -11.267 -8.274 13.025 1.00 25.34 H new ATOM 0 HB3 ASP A 2 -11.652 -9.915 13.506 1.00 25.34 H new ATOM 32 N GLN A 3 -8.865 -10.801 13.983 1.00 44.33 N ATOM 33 CA GLN A 3 -7.752 -11.455 13.283 1.00 20.51 C ATOM 34 C GLN A 3 -7.667 -11.045 11.807 1.00 24.32 C ATOM 35 O GLN A 3 -6.580 -11.015 11.236 1.00 62.32 O ATOM 36 CB GLN A 3 -7.857 -12.980 13.407 1.00 33.45 C ATOM 37 CG GLN A 3 -7.510 -13.498 14.798 1.00 1.01 C ATOM 38 CD GLN A 3 -6.084 -13.154 15.203 1.00 63.02 C ATOM 39 OE1 GLN A 3 -5.190 -13.060 14.365 1.00 22.02 O ATOM 40 NE2 GLN A 3 -5.858 -12.956 16.484 1.00 63.23 N ATOM 0 H GLN A 3 -9.504 -11.448 14.445 1.00 44.33 H new ATOM 0 HA GLN A 3 -6.834 -11.119 13.765 1.00 20.51 H new ATOM 0 HB2 GLN A 3 -8.871 -13.289 13.155 1.00 33.45 H new ATOM 0 HB3 GLN A 3 -7.192 -13.443 12.678 1.00 33.45 H new ATOM 0 HG2 GLN A 3 -8.204 -13.075 15.524 1.00 1.01 H new ATOM 0 HG3 GLN A 3 -7.642 -14.580 14.824 1.00 1.01 H new ATOM 0 HE21 GLN A 3 -6.621 -13.041 17.156 1.00 63.23 H new ATOM 0 HE22 GLN A 3 -4.920 -12.717 16.805 1.00 63.23 H new ATOM 49 N PHE A 4 -8.806 -10.739 11.190 1.00 55.41 N ATOM 50 CA PHE A 4 -8.820 -10.212 9.821 1.00 53.23 C ATOM 51 C PHE A 4 -7.875 -9.005 9.697 1.00 4.43 C ATOM 52 O PHE A 4 -7.025 -8.949 8.803 1.00 3.14 O ATOM 53 CB PHE A 4 -10.246 -9.810 9.418 1.00 62.34 C ATOM 54 CG PHE A 4 -10.360 -9.280 8.006 1.00 22.43 C ATOM 55 CD1 PHE A 4 -10.505 -10.148 6.933 1.00 21.25 C ATOM 56 CD2 PHE A 4 -10.325 -7.912 7.751 1.00 53.11 C ATOM 57 CE1 PHE A 4 -10.611 -9.667 5.641 1.00 0.02 C ATOM 58 CE2 PHE A 4 -10.429 -7.428 6.460 1.00 11.12 C ATOM 59 CZ PHE A 4 -10.571 -8.307 5.405 1.00 33.01 C ATOM 0 H PHE A 4 -9.729 -10.845 11.611 1.00 55.41 H new ATOM 0 HA PHE A 4 -8.472 -10.996 9.148 1.00 53.23 H new ATOM 0 HB2 PHE A 4 -10.900 -10.675 9.524 1.00 62.34 H new ATOM 0 HB3 PHE A 4 -10.608 -9.050 10.111 1.00 62.34 H new ATOM 0 HD1 PHE A 4 -10.535 -11.213 7.109 1.00 21.25 H new ATOM 0 HD2 PHE A 4 -10.215 -7.219 8.572 1.00 53.11 H new ATOM 0 HE1 PHE A 4 -10.725 -10.355 4.816 1.00 0.02 H new ATOM 0 HE2 PHE A 4 -10.399 -6.364 6.277 1.00 11.12 H new ATOM 0 HZ PHE A 4 -10.651 -7.931 4.396 1.00 33.01 H new ATOM 69 N LEU A 5 -8.020 -8.056 10.622 1.00 54.20 N ATOM 70 CA LEU A 5 -7.165 -6.867 10.655 1.00 22.54 C ATOM 71 C LEU A 5 -5.722 -7.234 11.033 1.00 63.31 C ATOM 72 O LEU A 5 -4.770 -6.787 10.397 1.00 11.35 O ATOM 73 CB LEU A 5 -7.719 -5.840 11.652 1.00 32.34 C ATOM 74 CG LEU A 5 -9.165 -5.382 11.396 1.00 52.02 C ATOM 75 CD1 LEU A 5 -9.590 -4.344 12.430 1.00 23.44 C ATOM 76 CD2 LEU A 5 -9.321 -4.831 9.980 1.00 1.33 C ATOM 0 H LEU A 5 -8.723 -8.087 11.360 1.00 54.20 H new ATOM 0 HA LEU A 5 -7.159 -6.431 9.656 1.00 22.54 H new ATOM 0 HB2 LEU A 5 -7.663 -6.266 12.654 1.00 32.34 H new ATOM 0 HB3 LEU A 5 -7.071 -4.963 11.641 1.00 32.34 H new ATOM 0 HG LEU A 5 -9.818 -6.250 11.493 1.00 52.02 H new ATOM 0 HD11 LEU A 5 -10.616 -4.032 12.232 1.00 23.44 H new ATOM 0 HD12 LEU A 5 -9.529 -4.778 13.428 1.00 23.44 H new ATOM 0 HD13 LEU A 5 -8.930 -3.479 12.370 1.00 23.44 H new ATOM 0 HD21 LEU A 5 -10.352 -4.514 9.824 1.00 1.33 H new ATOM 0 HD22 LEU A 5 -8.655 -3.978 9.846 1.00 1.33 H new ATOM 0 HD23 LEU A 5 -9.067 -5.607 9.258 1.00 1.33 H new ATOM 88 N VAL A 6 -5.572 -8.058 12.069 1.00 21.24 N ATOM 89 CA VAL A 6 -4.246 -8.486 12.535 1.00 0.54 C ATOM 90 C VAL A 6 -3.425 -9.141 11.409 1.00 14.13 C ATOM 91 O VAL A 6 -2.231 -8.871 11.258 1.00 63.31 O ATOM 92 CB VAL A 6 -4.357 -9.475 13.725 1.00 24.23 C ATOM 93 CG1 VAL A 6 -2.970 -9.905 14.216 1.00 53.22 C ATOM 94 CG2 VAL A 6 -5.170 -8.860 14.866 1.00 3.53 C ATOM 0 H VAL A 6 -6.350 -8.445 12.604 1.00 21.24 H new ATOM 0 HA VAL A 6 -3.730 -7.584 12.864 1.00 0.54 H new ATOM 0 HB VAL A 6 -4.879 -10.365 13.374 1.00 24.23 H new ATOM 0 HG11 VAL A 6 -3.078 -10.598 15.050 1.00 53.22 H new ATOM 0 HG12 VAL A 6 -2.433 -10.395 13.404 1.00 53.22 H new ATOM 0 HG13 VAL A 6 -2.412 -9.028 14.543 1.00 53.22 H new ATOM 0 HG21 VAL A 6 -5.235 -9.570 15.690 1.00 3.53 H new ATOM 0 HG22 VAL A 6 -4.682 -7.948 15.211 1.00 3.53 H new ATOM 0 HG23 VAL A 6 -6.173 -8.622 14.511 1.00 3.53 H new ATOM 104 N GLN A 7 -4.073 -9.988 10.610 1.00 51.20 N ATOM 105 CA GLN A 7 -3.387 -10.709 9.533 1.00 20.44 C ATOM 106 C GLN A 7 -2.943 -9.769 8.398 1.00 12.33 C ATOM 107 O GLN A 7 -1.788 -9.816 7.965 1.00 60.32 O ATOM 108 CB GLN A 7 -4.278 -11.829 8.970 1.00 20.12 C ATOM 109 CG GLN A 7 -4.621 -12.930 9.974 1.00 1.32 C ATOM 110 CD GLN A 7 -3.397 -13.498 10.672 1.00 31.41 C ATOM 111 OE1 GLN A 7 -2.752 -14.415 10.176 1.00 13.41 O ATOM 112 NE2 GLN A 7 -3.081 -12.976 11.841 1.00 25.23 N ATOM 0 H GLN A 7 -5.069 -10.193 10.686 1.00 51.20 H new ATOM 0 HA GLN A 7 -2.491 -11.151 9.969 1.00 20.44 H new ATOM 0 HB2 GLN A 7 -5.205 -11.389 8.602 1.00 20.12 H new ATOM 0 HB3 GLN A 7 -3.777 -12.279 8.113 1.00 20.12 H new ATOM 0 HG2 GLN A 7 -5.307 -12.532 10.722 1.00 1.32 H new ATOM 0 HG3 GLN A 7 -5.144 -13.735 9.458 1.00 1.32 H new ATOM 0 HE21 GLN A 7 -3.638 -12.213 12.226 1.00 25.23 H new ATOM 0 HE22 GLN A 7 -2.279 -13.335 12.360 1.00 25.23 H new ATOM 121 N ILE A 8 -3.853 -8.921 7.906 1.00 22.11 N ATOM 122 CA ILE A 8 -3.511 -7.988 6.822 1.00 73.24 C ATOM 123 C ILE A 8 -2.421 -6.990 7.261 1.00 61.11 C ATOM 124 O ILE A 8 -1.499 -6.688 6.498 1.00 65.03 O ATOM 125 CB ILE A 8 -4.753 -7.221 6.283 1.00 42.42 C ATOM 126 CG1 ILE A 8 -5.424 -6.397 7.395 1.00 44.43 C ATOM 127 CG2 ILE A 8 -5.753 -8.195 5.658 1.00 33.51 C ATOM 128 CD1 ILE A 8 -6.620 -5.584 6.932 1.00 4.24 C ATOM 0 H ILE A 8 -4.817 -8.860 8.233 1.00 22.11 H new ATOM 0 HA ILE A 8 -3.121 -8.598 6.007 1.00 73.24 H new ATOM 0 HB ILE A 8 -4.413 -6.529 5.513 1.00 42.42 H new ATOM 0 HG12 ILE A 8 -5.743 -7.072 8.189 1.00 44.43 H new ATOM 0 HG13 ILE A 8 -4.685 -5.722 7.828 1.00 44.43 H new ATOM 0 HG21 ILE A 8 -6.616 -7.642 5.286 1.00 33.51 H new ATOM 0 HG22 ILE A 8 -5.278 -8.724 4.832 1.00 33.51 H new ATOM 0 HG23 ILE A 8 -6.079 -8.914 6.410 1.00 33.51 H new ATOM 0 HD11 ILE A 8 -7.034 -5.033 7.776 1.00 4.24 H new ATOM 0 HD12 ILE A 8 -6.306 -4.882 6.160 1.00 4.24 H new ATOM 0 HD13 ILE A 8 -7.380 -6.253 6.527 1.00 4.24 H new ATOM 140 N PHE A 9 -2.515 -6.500 8.501 1.00 70.01 N ATOM 141 CA PHE A 9 -1.478 -5.630 9.074 1.00 44.45 C ATOM 142 C PHE A 9 -0.118 -6.345 9.105 1.00 1.51 C ATOM 143 O PHE A 9 0.895 -5.798 8.662 1.00 3.34 O ATOM 144 CB PHE A 9 -1.868 -5.183 10.497 1.00 44.41 C ATOM 145 CG PHE A 9 -2.910 -4.084 10.549 1.00 43.50 C ATOM 146 CD1 PHE A 9 -3.979 -4.062 9.664 1.00 23.44 C ATOM 147 CD2 PHE A 9 -2.815 -3.071 11.495 1.00 41.20 C ATOM 148 CE1 PHE A 9 -4.927 -3.058 9.720 1.00 44.23 C ATOM 149 CE2 PHE A 9 -3.762 -2.064 11.553 1.00 21.34 C ATOM 150 CZ PHE A 9 -4.818 -2.058 10.665 1.00 60.12 C ATOM 0 H PHE A 9 -3.297 -6.690 9.128 1.00 70.01 H new ATOM 0 HA PHE A 9 -1.394 -4.749 8.438 1.00 44.45 H new ATOM 0 HB2 PHE A 9 -2.243 -6.047 11.045 1.00 44.41 H new ATOM 0 HB3 PHE A 9 -0.972 -4.841 11.015 1.00 44.41 H new ATOM 0 HD1 PHE A 9 -4.071 -4.840 8.921 1.00 23.44 H new ATOM 0 HD2 PHE A 9 -1.992 -3.070 12.194 1.00 41.20 H new ATOM 0 HE1 PHE A 9 -5.753 -3.056 9.024 1.00 44.23 H new ATOM 0 HE2 PHE A 9 -3.675 -1.283 12.293 1.00 21.34 H new ATOM 0 HZ PHE A 9 -5.558 -1.272 10.709 1.00 60.12 H new ATOM 160 N ALA A 10 -0.110 -7.579 9.617 1.00 44.41 N ATOM 161 CA ALA A 10 1.118 -8.382 9.703 1.00 72.52 C ATOM 162 C ALA A 10 1.817 -8.518 8.339 1.00 3.23 C ATOM 163 O ALA A 10 3.046 -8.484 8.253 1.00 5.32 O ATOM 164 CB ALA A 10 0.802 -9.758 10.276 1.00 23.24 C ATOM 0 H ALA A 10 -0.941 -8.046 9.980 1.00 44.41 H new ATOM 0 HA ALA A 10 1.807 -7.861 10.368 1.00 72.52 H new ATOM 0 HB1 ALA A 10 1.718 -10.346 10.336 1.00 23.24 H new ATOM 0 HB2 ALA A 10 0.375 -9.648 11.273 1.00 23.24 H new ATOM 0 HB3 ALA A 10 0.086 -10.266 9.629 1.00 23.24 H new ATOM 170 N VAL A 11 1.029 -8.677 7.275 1.00 64.03 N ATOM 171 CA VAL A 11 1.573 -8.743 5.912 1.00 3.10 C ATOM 172 C VAL A 11 2.298 -7.439 5.543 1.00 22.44 C ATOM 173 O VAL A 11 3.415 -7.456 5.023 1.00 52.12 O ATOM 174 CB VAL A 11 0.459 -9.021 4.868 1.00 24.13 C ATOM 175 CG1 VAL A 11 1.044 -9.165 3.467 1.00 35.21 C ATOM 176 CG2 VAL A 11 -0.331 -10.268 5.242 1.00 44.22 C ATOM 0 H VAL A 11 0.014 -8.763 7.327 1.00 64.03 H new ATOM 0 HA VAL A 11 2.285 -9.568 5.895 1.00 3.10 H new ATOM 0 HB VAL A 11 -0.219 -8.167 4.868 1.00 24.13 H new ATOM 0 HG11 VAL A 11 0.241 -9.359 2.756 1.00 35.21 H new ATOM 0 HG12 VAL A 11 1.558 -8.244 3.191 1.00 35.21 H new ATOM 0 HG13 VAL A 11 1.751 -9.994 3.451 1.00 35.21 H new ATOM 0 HG21 VAL A 11 -1.107 -10.444 4.497 1.00 44.22 H new ATOM 0 HG22 VAL A 11 0.340 -11.126 5.278 1.00 44.22 H new ATOM 0 HG23 VAL A 11 -0.792 -10.127 6.219 1.00 44.22 H new ATOM 186 N ILE A 12 1.657 -6.312 5.839 1.00 3.14 N ATOM 187 CA ILE A 12 2.207 -4.990 5.517 1.00 2.02 C ATOM 188 C ILE A 12 3.485 -4.677 6.324 1.00 72.14 C ATOM 189 O ILE A 12 4.427 -4.077 5.800 1.00 32.10 O ATOM 190 CB ILE A 12 1.155 -3.884 5.767 1.00 2.51 C ATOM 191 CG1 ILE A 12 -0.128 -4.184 4.971 1.00 41.12 C ATOM 192 CG2 ILE A 12 1.715 -2.510 5.395 1.00 61.45 C ATOM 193 CD1 ILE A 12 -1.261 -3.219 5.250 1.00 4.45 C ATOM 0 H ILE A 12 0.750 -6.284 6.304 1.00 3.14 H new ATOM 0 HA ILE A 12 2.472 -5.010 4.460 1.00 2.02 H new ATOM 0 HB ILE A 12 0.910 -3.871 6.829 1.00 2.51 H new ATOM 0 HG12 ILE A 12 0.103 -4.160 3.906 1.00 41.12 H new ATOM 0 HG13 ILE A 12 -0.460 -5.196 5.203 1.00 41.12 H new ATOM 0 HG21 ILE A 12 0.959 -1.747 5.579 1.00 61.45 H new ATOM 0 HG22 ILE A 12 2.597 -2.300 6.001 1.00 61.45 H new ATOM 0 HG23 ILE A 12 1.989 -2.502 4.340 1.00 61.45 H new ATOM 0 HD11 ILE A 12 -2.130 -3.495 4.653 1.00 4.45 H new ATOM 0 HD12 ILE A 12 -1.521 -3.259 6.308 1.00 4.45 H new ATOM 0 HD13 ILE A 12 -0.949 -2.207 4.991 1.00 4.45 H new ATOM 205 N HIS A 13 3.519 -5.083 7.598 1.00 50.31 N ATOM 206 CA HIS A 13 4.715 -4.887 8.441 1.00 54.11 C ATOM 207 C HIS A 13 5.954 -5.577 7.841 1.00 32.43 C ATOM 208 O HIS A 13 7.088 -5.166 8.097 1.00 22.13 O ATOM 209 CB HIS A 13 4.484 -5.418 9.869 1.00 40.30 C ATOM 210 CG HIS A 13 3.558 -4.579 10.708 1.00 4.54 C ATOM 211 ND1 HIS A 13 3.907 -3.311 11.113 1.00 25.23 N ATOM 212 CD2 HIS A 13 2.331 -4.874 11.201 1.00 32.24 C ATOM 213 CE1 HIS A 13 2.893 -2.867 11.837 1.00 2.51 C ATOM 214 NE2 HIS A 13 1.915 -3.778 11.918 1.00 25.24 N ATOM 0 H HIS A 13 2.742 -5.546 8.069 1.00 50.31 H new ATOM 0 HA HIS A 13 4.895 -3.813 8.480 1.00 54.11 H new ATOM 0 HB2 HIS A 13 4.080 -6.428 9.806 1.00 40.30 H new ATOM 0 HB3 HIS A 13 5.446 -5.490 10.376 1.00 40.30 H new ATOM 0 HD2 HIS A 13 1.784 -5.794 11.058 1.00 32.24 H new ATOM 0 HE1 HIS A 13 2.858 -1.894 12.303 1.00 2.51 H new ATOM 0 HE2 HIS A 13 1.031 -3.678 12.416 1.00 25.24 H new ATOM 222 N GLN A 14 5.727 -6.618 7.040 1.00 32.21 N ATOM 223 CA GLN A 14 6.818 -7.418 6.468 1.00 32.13 C ATOM 224 C GLN A 14 7.378 -6.822 5.161 1.00 21.44 C ATOM 225 O GLN A 14 8.346 -7.346 4.608 1.00 52.33 O ATOM 226 CB GLN A 14 6.338 -8.858 6.221 1.00 14.22 C ATOM 227 CG GLN A 14 5.939 -9.601 7.493 1.00 13.03 C ATOM 228 CD GLN A 14 5.455 -11.014 7.219 1.00 11.23 C ATOM 229 OE1 GLN A 14 4.162 -11.175 7.030 1.00 5.21 O flip ATOM 230 NE2 GLN A 14 6.239 -11.958 7.186 1.00 71.11 N flip ATOM 0 H GLN A 14 4.794 -6.931 6.770 1.00 32.21 H new ATOM 0 HA GLN A 14 7.630 -7.412 7.195 1.00 32.13 H new ATOM 0 HB2 GLN A 14 5.486 -8.835 5.542 1.00 14.22 H new ATOM 0 HB3 GLN A 14 7.130 -9.414 5.720 1.00 14.22 H new ATOM 0 HG2 GLN A 14 6.793 -9.639 8.170 1.00 13.03 H new ATOM 0 HG3 GLN A 14 5.152 -9.044 8.002 1.00 13.03 H new ATOM 0 HE21 GLN A 14 7.235 -11.799 7.337 1.00 71.11 H new ATOM 0 HE22 GLN A 14 5.894 -12.901 7.008 1.00 71.11 H new ATOM 239 N ILE A 15 6.783 -5.733 4.668 1.00 10.24 N ATOM 240 CA ILE A 15 7.251 -5.098 3.425 1.00 31.21 C ATOM 241 C ILE A 15 8.608 -4.388 3.630 1.00 73.40 C ATOM 242 O ILE A 15 8.767 -3.588 4.555 1.00 41.11 O ATOM 243 CB ILE A 15 6.210 -4.081 2.881 1.00 12.12 C ATOM 244 CG1 ILE A 15 4.837 -4.756 2.729 1.00 62.23 C ATOM 245 CG2 ILE A 15 6.668 -3.490 1.544 1.00 24.40 C ATOM 246 CD1 ILE A 15 3.750 -3.848 2.188 1.00 5.10 C ATOM 0 H ILE A 15 5.983 -5.273 5.103 1.00 10.24 H new ATOM 0 HA ILE A 15 7.379 -5.895 2.693 1.00 31.21 H new ATOM 0 HB ILE A 15 6.122 -3.265 3.598 1.00 12.12 H new ATOM 0 HG12 ILE A 15 4.939 -5.615 2.066 1.00 62.23 H new ATOM 0 HG13 ILE A 15 4.524 -5.139 3.701 1.00 62.23 H new ATOM 0 HG21 ILE A 15 5.922 -2.781 1.185 1.00 24.40 H new ATOM 0 HG22 ILE A 15 7.620 -2.977 1.680 1.00 24.40 H new ATOM 0 HG23 ILE A 15 6.789 -4.291 0.814 1.00 24.40 H new ATOM 0 HD11 ILE A 15 2.816 -4.404 2.113 1.00 5.10 H new ATOM 0 HD12 ILE A 15 3.615 -3.001 2.861 1.00 5.10 H new ATOM 0 HD13 ILE A 15 4.037 -3.485 1.201 1.00 5.10 H new ATOM 258 N PRO A 16 9.616 -4.694 2.787 1.00 24.55 N ATOM 259 CA PRO A 16 10.948 -4.066 2.875 1.00 55.52 C ATOM 260 C PRO A 16 11.010 -2.638 2.291 1.00 11.14 C ATOM 261 O PRO A 16 10.106 -2.199 1.576 1.00 32.43 O ATOM 262 CB PRO A 16 11.824 -5.020 2.059 1.00 14.32 C ATOM 263 CG PRO A 16 10.901 -5.605 1.044 1.00 73.10 C ATOM 264 CD PRO A 16 9.549 -5.694 1.703 1.00 23.31 C ATOM 0 HA PRO A 16 11.258 -3.934 3.912 1.00 55.52 H new ATOM 0 HB2 PRO A 16 12.651 -4.491 1.585 1.00 14.32 H new ATOM 0 HB3 PRO A 16 12.261 -5.794 2.690 1.00 14.32 H new ATOM 0 HG2 PRO A 16 10.858 -4.980 0.152 1.00 73.10 H new ATOM 0 HG3 PRO A 16 11.245 -6.590 0.728 1.00 73.10 H new ATOM 0 HD2 PRO A 16 8.747 -5.469 1.001 1.00 23.31 H new ATOM 0 HD3 PRO A 16 9.360 -6.694 2.093 1.00 23.31 H new ATOM 272 N LYS A 17 12.104 -1.934 2.590 1.00 61.41 N ATOM 273 CA LYS A 17 12.302 -0.547 2.154 1.00 41.35 C ATOM 274 C LYS A 17 12.289 -0.409 0.621 1.00 30.35 C ATOM 275 O LYS A 17 13.095 -1.027 -0.083 1.00 23.01 O ATOM 276 CB LYS A 17 13.625 -0.010 2.744 1.00 62.15 C ATOM 277 CG LYS A 17 14.076 1.363 2.218 1.00 24.20 C ATOM 278 CD LYS A 17 14.999 1.243 1.001 1.00 51.34 C ATOM 279 CE LYS A 17 15.470 2.600 0.495 1.00 4.21 C ATOM 280 NZ LYS A 17 16.235 3.353 1.524 1.00 72.24 N ATOM 0 H LYS A 17 12.877 -2.307 3.140 1.00 61.41 H new ATOM 0 HA LYS A 17 11.467 0.048 2.525 1.00 41.35 H new ATOM 0 HB2 LYS A 17 13.521 0.052 3.827 1.00 62.15 H new ATOM 0 HB3 LYS A 17 14.414 -0.734 2.541 1.00 62.15 H new ATOM 0 HG2 LYS A 17 13.200 1.953 1.950 1.00 24.20 H new ATOM 0 HG3 LYS A 17 14.593 1.902 3.012 1.00 24.20 H new ATOM 0 HD2 LYS A 17 15.865 0.635 1.263 1.00 51.34 H new ATOM 0 HD3 LYS A 17 14.475 0.722 0.200 1.00 51.34 H new ATOM 0 HE2 LYS A 17 16.094 2.459 -0.387 1.00 4.21 H new ATOM 0 HE3 LYS A 17 14.607 3.189 0.184 1.00 4.21 H new ATOM 0 HZ1 LYS A 17 16.691 4.178 1.084 1.00 72.24 H new ATOM 0 HZ2 LYS A 17 15.588 3.674 2.272 1.00 72.24 H new ATOM 0 HZ3 LYS A 17 16.963 2.735 1.937 1.00 72.24 H new ATOM 294 N GLY A 18 11.373 0.413 0.114 1.00 3.33 N ATOM 295 CA GLY A 18 11.323 0.701 -1.315 1.00 31.21 C ATOM 296 C GLY A 18 10.406 -0.233 -2.101 1.00 31.30 C ATOM 297 O GLY A 18 10.516 -0.328 -3.325 1.00 33.23 O ATOM 0 H GLY A 18 10.660 0.888 0.668 1.00 3.33 H new ATOM 0 HA2 GLY A 18 10.988 1.728 -1.457 1.00 31.21 H new ATOM 0 HA3 GLY A 18 12.331 0.635 -1.725 1.00 31.21 H new ATOM 301 N LYS A 19 9.506 -0.929 -1.408 1.00 71.32 N ATOM 302 CA LYS A 19 8.539 -1.815 -2.071 1.00 45.23 C ATOM 303 C LYS A 19 7.084 -1.433 -1.742 1.00 1.50 C ATOM 304 O LYS A 19 6.770 -1.018 -0.627 1.00 10.12 O ATOM 305 CB LYS A 19 8.794 -3.280 -1.676 1.00 42.15 C ATOM 306 CG LYS A 19 10.160 -3.814 -2.104 1.00 44.33 C ATOM 307 CD LYS A 19 10.374 -3.696 -3.612 1.00 1.11 C ATOM 308 CE LYS A 19 11.677 -4.354 -4.052 1.00 44.20 C ATOM 309 NZ LYS A 19 12.858 -3.821 -3.323 1.00 34.22 N ATOM 0 H LYS A 19 9.423 -0.900 -0.392 1.00 71.32 H new ATOM 0 HA LYS A 19 8.680 -1.697 -3.145 1.00 45.23 H new ATOM 0 HB2 LYS A 19 8.702 -3.374 -0.594 1.00 42.15 H new ATOM 0 HB3 LYS A 19 8.017 -3.904 -2.118 1.00 42.15 H new ATOM 0 HG2 LYS A 19 10.944 -3.264 -1.583 1.00 44.33 H new ATOM 0 HG3 LYS A 19 10.251 -4.858 -1.806 1.00 44.33 H new ATOM 0 HD2 LYS A 19 9.538 -4.160 -4.135 1.00 1.11 H new ATOM 0 HD3 LYS A 19 10.384 -2.644 -3.897 1.00 1.11 H new ATOM 0 HE2 LYS A 19 11.610 -5.430 -3.891 1.00 44.20 H new ATOM 0 HE3 LYS A 19 11.815 -4.200 -5.122 1.00 44.20 H new ATOM 0 HZ1 LYS A 19 13.728 -4.198 -3.749 1.00 34.22 H new ATOM 0 HZ2 LYS A 19 12.864 -2.783 -3.384 1.00 34.22 H new ATOM 0 HZ3 LYS A 19 12.809 -4.108 -2.325 1.00 34.22 H new ATOM 323 N VAL A 20 6.200 -1.580 -2.730 1.00 2.41 N ATOM 324 CA VAL A 20 4.763 -1.325 -2.548 1.00 1.34 C ATOM 325 C VAL A 20 3.928 -2.548 -2.953 1.00 40.45 C ATOM 326 O VAL A 20 4.414 -3.449 -3.636 1.00 43.55 O ATOM 327 CB VAL A 20 4.281 -0.101 -3.373 1.00 73.04 C ATOM 328 CG1 VAL A 20 4.977 1.179 -2.915 1.00 34.52 C ATOM 329 CG2 VAL A 20 4.498 -0.337 -4.869 1.00 23.24 C ATOM 0 H VAL A 20 6.453 -1.876 -3.673 1.00 2.41 H new ATOM 0 HA VAL A 20 4.621 -1.115 -1.488 1.00 1.34 H new ATOM 0 HB VAL A 20 3.212 0.022 -3.200 1.00 73.04 H new ATOM 0 HG11 VAL A 20 4.620 2.020 -3.510 1.00 34.52 H new ATOM 0 HG12 VAL A 20 4.754 1.358 -1.863 1.00 34.52 H new ATOM 0 HG13 VAL A 20 6.054 1.074 -3.045 1.00 34.52 H new ATOM 0 HG21 VAL A 20 4.153 0.533 -5.428 1.00 23.24 H new ATOM 0 HG22 VAL A 20 5.559 -0.496 -5.062 1.00 23.24 H new ATOM 0 HG23 VAL A 20 3.936 -1.217 -5.184 1.00 23.24 H new ATOM 339 N SER A 21 2.667 -2.569 -2.539 1.00 13.01 N ATOM 340 CA SER A 21 1.761 -3.681 -2.861 1.00 14.05 C ATOM 341 C SER A 21 0.312 -3.199 -2.994 1.00 35.41 C ATOM 342 O SER A 21 -0.006 -2.054 -2.672 1.00 13.41 O ATOM 343 CB SER A 21 1.840 -4.761 -1.777 1.00 53.50 C ATOM 344 OG SER A 21 1.476 -4.241 -0.507 1.00 14.51 O ATOM 0 H SER A 21 2.242 -1.831 -1.978 1.00 13.01 H new ATOM 0 HA SER A 21 2.077 -4.098 -3.817 1.00 14.05 H new ATOM 0 HB2 SER A 21 1.181 -5.589 -2.036 1.00 53.50 H new ATOM 0 HB3 SER A 21 2.853 -5.162 -1.732 1.00 53.50 H new ATOM 0 HG SER A 21 2.236 -3.757 -0.122 1.00 14.51 H new ATOM 350 N THR A 22 -0.562 -4.074 -3.479 1.00 14.53 N ATOM 351 CA THR A 22 -1.990 -3.754 -3.618 1.00 22.20 C ATOM 352 C THR A 22 -2.842 -4.530 -2.605 1.00 1.13 C ATOM 353 O THR A 22 -2.413 -5.555 -2.068 1.00 43.34 O ATOM 354 CB THR A 22 -2.506 -4.062 -5.043 1.00 34.43 C ATOM 355 OG1 THR A 22 -2.390 -5.466 -5.318 1.00 43.01 O ATOM 356 CG2 THR A 22 -1.729 -3.270 -6.091 1.00 34.24 C ATOM 0 H THR A 22 -0.312 -5.014 -3.785 1.00 14.53 H new ATOM 0 HA THR A 22 -2.086 -2.685 -3.425 1.00 22.20 H new ATOM 0 HB THR A 22 -3.554 -3.767 -5.092 1.00 34.43 H new ATOM 0 HG1 THR A 22 -1.443 -5.718 -5.341 1.00 43.01 H new ATOM 0 HG21 THR A 22 -2.113 -3.506 -7.084 1.00 34.24 H new ATOM 0 HG22 THR A 22 -1.846 -2.203 -5.901 1.00 34.24 H new ATOM 0 HG23 THR A 22 -0.673 -3.535 -6.038 1.00 34.24 H new ATOM 364 N TYR A 23 -4.060 -4.039 -2.359 1.00 25.21 N ATOM 365 CA TYR A 23 -4.975 -4.652 -1.378 1.00 42.31 C ATOM 366 C TYR A 23 -5.191 -6.157 -1.634 1.00 63.32 C ATOM 367 O TYR A 23 -5.267 -6.950 -0.693 1.00 4.51 O ATOM 368 CB TYR A 23 -6.327 -3.920 -1.386 1.00 61.24 C ATOM 369 CG TYR A 23 -6.214 -2.435 -1.079 1.00 34.04 C ATOM 370 CD1 TYR A 23 -6.065 -1.986 0.229 1.00 44.55 C ATOM 371 CD2 TYR A 23 -6.244 -1.484 -2.096 1.00 62.05 C ATOM 372 CE1 TYR A 23 -5.949 -0.639 0.514 1.00 41.04 C ATOM 373 CE2 TYR A 23 -6.126 -0.134 -1.817 1.00 21.10 C ATOM 374 CZ TYR A 23 -5.979 0.283 -0.511 1.00 53.02 C ATOM 375 OH TYR A 23 -5.854 1.625 -0.231 1.00 44.20 O ATOM 0 H TYR A 23 -4.441 -3.216 -2.825 1.00 25.21 H new ATOM 0 HA TYR A 23 -4.508 -4.553 -0.398 1.00 42.31 H new ATOM 0 HB2 TYR A 23 -6.794 -4.047 -2.363 1.00 61.24 H new ATOM 0 HB3 TYR A 23 -6.987 -4.385 -0.654 1.00 61.24 H new ATOM 0 HD1 TYR A 23 -6.040 -2.703 1.036 1.00 44.55 H new ATOM 0 HD2 TYR A 23 -6.361 -1.806 -3.120 1.00 62.05 H new ATOM 0 HE1 TYR A 23 -5.835 -0.309 1.536 1.00 41.04 H new ATOM 0 HE2 TYR A 23 -6.149 0.590 -2.618 1.00 21.10 H new ATOM 0 HH TYR A 23 -4.986 1.947 -0.553 1.00 44.20 H new ATOM 385 N GLY A 24 -5.284 -6.541 -2.909 1.00 24.42 N ATOM 386 CA GLY A 24 -5.473 -7.946 -3.260 1.00 42.33 C ATOM 387 C GLY A 24 -4.303 -8.833 -2.833 1.00 21.22 C ATOM 388 O GLY A 24 -4.503 -9.937 -2.321 1.00 54.53 O ATOM 0 H GLY A 24 -5.232 -5.906 -3.705 1.00 24.42 H new ATOM 0 HA2 GLY A 24 -6.388 -8.311 -2.793 1.00 42.33 H new ATOM 0 HA3 GLY A 24 -5.610 -8.030 -4.338 1.00 42.33 H new ATOM 392 N GLU A 25 -3.082 -8.344 -3.041 1.00 73.54 N ATOM 393 CA GLU A 25 -1.873 -9.076 -2.653 1.00 30.15 C ATOM 394 C GLU A 25 -1.794 -9.243 -1.128 1.00 42.03 C ATOM 395 O GLU A 25 -1.638 -10.357 -0.621 1.00 53.50 O ATOM 396 CB GLU A 25 -0.627 -8.346 -3.177 1.00 65.41 C ATOM 397 CG GLU A 25 -0.584 -8.244 -4.700 1.00 54.12 C ATOM 398 CD GLU A 25 0.566 -7.389 -5.210 1.00 31.02 C ATOM 399 OE1 GLU A 25 0.420 -6.147 -5.222 1.00 43.23 O ATOM 400 OE2 GLU A 25 1.605 -7.952 -5.615 1.00 64.45 O ATOM 0 H GLU A 25 -2.901 -7.440 -3.478 1.00 73.54 H new ATOM 0 HA GLU A 25 -1.916 -10.070 -3.097 1.00 30.15 H new ATOM 0 HB2 GLU A 25 -0.596 -7.343 -2.751 1.00 65.41 H new ATOM 0 HB3 GLU A 25 0.265 -8.868 -2.829 1.00 65.41 H new ATOM 0 HG2 GLU A 25 -0.499 -9.245 -5.123 1.00 54.12 H new ATOM 0 HG3 GLU A 25 -1.525 -7.826 -5.057 1.00 54.12 H new ATOM 407 N ILE A 26 -1.914 -8.128 -0.404 1.00 23.34 N ATOM 408 CA ILE A 26 -1.912 -8.144 1.067 1.00 72.03 C ATOM 409 C ILE A 26 -2.932 -9.154 1.618 1.00 44.02 C ATOM 410 O ILE A 26 -2.627 -9.942 2.518 1.00 20.42 O ATOM 411 CB ILE A 26 -2.224 -6.735 1.643 1.00 35.23 C ATOM 412 CG1 ILE A 26 -1.145 -5.725 1.210 1.00 41.20 C ATOM 413 CG2 ILE A 26 -2.342 -6.776 3.167 1.00 63.21 C ATOM 414 CD1 ILE A 26 0.250 -6.066 1.698 1.00 1.23 C ATOM 0 H ILE A 26 -2.014 -7.198 -0.811 1.00 23.34 H new ATOM 0 HA ILE A 26 -0.912 -8.445 1.380 1.00 72.03 H new ATOM 0 HB ILE A 26 -3.184 -6.411 1.241 1.00 35.23 H new ATOM 0 HG12 ILE A 26 -1.134 -5.665 0.122 1.00 41.20 H new ATOM 0 HG13 ILE A 26 -1.417 -4.737 1.581 1.00 41.20 H new ATOM 0 HG21 ILE A 26 -2.561 -5.776 3.542 1.00 63.21 H new ATOM 0 HG22 ILE A 26 -3.146 -7.454 3.452 1.00 63.21 H new ATOM 0 HG23 ILE A 26 -1.403 -7.127 3.595 1.00 63.21 H new ATOM 0 HD11 ILE A 26 0.952 -5.308 1.352 1.00 1.23 H new ATOM 0 HD12 ILE A 26 0.257 -6.097 2.788 1.00 1.23 H new ATOM 0 HD13 ILE A 26 0.545 -7.039 1.306 1.00 1.23 H new ATOM 426 N ALA A 27 -4.140 -9.133 1.054 1.00 3.44 N ATOM 427 CA ALA A 27 -5.208 -10.048 1.458 1.00 34.11 C ATOM 428 C ALA A 27 -4.811 -11.523 1.260 1.00 41.53 C ATOM 429 O ALA A 27 -5.122 -12.373 2.098 1.00 22.11 O ATOM 430 CB ALA A 27 -6.483 -9.737 0.680 1.00 3.05 C ATOM 0 H ALA A 27 -4.405 -8.487 0.310 1.00 3.44 H new ATOM 0 HA ALA A 27 -5.385 -9.898 2.523 1.00 34.11 H new ATOM 0 HB1 ALA A 27 -7.273 -10.423 0.987 1.00 3.05 H new ATOM 0 HB2 ALA A 27 -6.793 -8.712 0.884 1.00 3.05 H new ATOM 0 HB3 ALA A 27 -6.296 -9.854 -0.387 1.00 3.05 H new ATOM 436 N LYS A 28 -4.115 -11.823 0.162 1.00 61.22 N ATOM 437 CA LYS A 28 -3.737 -13.210 -0.146 1.00 32.35 C ATOM 438 C LYS A 28 -2.747 -13.785 0.885 1.00 61.51 C ATOM 439 O LYS A 28 -2.943 -14.894 1.386 1.00 43.35 O ATOM 440 CB LYS A 28 -3.156 -13.323 -1.561 1.00 63.34 C ATOM 441 CG LYS A 28 -2.804 -14.760 -1.949 1.00 11.14 C ATOM 442 CD LYS A 28 -2.437 -14.896 -3.426 1.00 43.35 C ATOM 443 CE LYS A 28 -3.594 -14.498 -4.339 1.00 32.45 C ATOM 444 NZ LYS A 28 -3.357 -14.905 -5.749 1.00 62.01 N ATOM 0 H LYS A 28 -3.803 -11.136 -0.524 1.00 61.22 H new ATOM 0 HA LYS A 28 -4.650 -13.803 -0.094 1.00 32.35 H new ATOM 0 HB2 LYS A 28 -3.876 -12.925 -2.276 1.00 63.34 H new ATOM 0 HB3 LYS A 28 -2.262 -12.704 -1.631 1.00 63.34 H new ATOM 0 HG2 LYS A 28 -1.969 -15.104 -1.338 1.00 11.14 H new ATOM 0 HG3 LYS A 28 -3.650 -15.410 -1.727 1.00 11.14 H new ATOM 0 HD2 LYS A 28 -1.571 -14.271 -3.644 1.00 43.35 H new ATOM 0 HD3 LYS A 28 -2.147 -15.926 -3.635 1.00 43.35 H new ATOM 0 HE2 LYS A 28 -4.514 -14.958 -3.979 1.00 32.45 H new ATOM 0 HE3 LYS A 28 -3.737 -13.418 -4.293 1.00 32.45 H new ATOM 0 HZ1 LYS A 28 -4.166 -14.616 -6.335 1.00 62.01 H new ATOM 0 HZ2 LYS A 28 -2.493 -14.447 -6.102 1.00 62.01 H new ATOM 0 HZ3 LYS A 28 -3.246 -15.938 -5.798 1.00 62.01 H new ATOM 458 N MET A 29 -1.686 -13.037 1.205 1.00 71.10 N ATOM 459 CA MET A 29 -0.730 -13.475 2.237 1.00 32.25 C ATOM 460 C MET A 29 -1.331 -13.359 3.650 1.00 33.31 C ATOM 461 O MET A 29 -0.777 -13.881 4.620 1.00 12.02 O ATOM 462 CB MET A 29 0.593 -12.691 2.153 1.00 51.52 C ATOM 463 CG MET A 29 1.449 -13.050 0.943 1.00 1.11 C ATOM 464 SD MET A 29 0.882 -12.259 -0.577 1.00 15.31 S ATOM 465 CE MET A 29 1.353 -10.558 -0.260 1.00 74.04 C ATOM 0 H MET A 29 -1.466 -12.139 0.774 1.00 71.10 H new ATOM 0 HA MET A 29 -0.515 -14.526 2.043 1.00 32.25 H new ATOM 0 HB2 MET A 29 0.371 -11.624 2.125 1.00 51.52 H new ATOM 0 HB3 MET A 29 1.170 -12.872 3.060 1.00 51.52 H new ATOM 0 HG2 MET A 29 2.482 -12.758 1.135 1.00 1.11 H new ATOM 0 HG3 MET A 29 1.443 -14.132 0.808 1.00 1.11 H new ATOM 0 HE1 MET A 29 1.337 -9.996 -1.194 1.00 74.04 H new ATOM 0 HE2 MET A 29 0.651 -10.111 0.445 1.00 74.04 H new ATOM 0 HE3 MET A 29 2.358 -10.531 0.162 1.00 74.04 H new ATOM 475 N ALA A 30 -2.461 -12.664 3.763 1.00 63.11 N ATOM 476 CA ALA A 30 -3.192 -12.580 5.032 1.00 42.32 C ATOM 477 C ALA A 30 -4.092 -13.807 5.246 1.00 30.03 C ATOM 478 O ALA A 30 -4.403 -14.174 6.382 1.00 62.32 O ATOM 479 CB ALA A 30 -4.024 -11.304 5.077 1.00 51.13 C ATOM 0 H ALA A 30 -2.892 -12.151 2.994 1.00 63.11 H new ATOM 0 HA ALA A 30 -2.459 -12.559 5.838 1.00 42.32 H new ATOM 0 HB1 ALA A 30 -4.562 -11.253 6.024 1.00 51.13 H new ATOM 0 HB2 ALA A 30 -3.368 -10.438 4.986 1.00 51.13 H new ATOM 0 HB3 ALA A 30 -4.738 -11.306 4.254 1.00 51.13 H new ATOM 485 N GLY A 31 -4.501 -14.439 4.148 1.00 13.12 N ATOM 486 CA GLY A 31 -5.387 -15.600 4.222 1.00 44.13 C ATOM 487 C GLY A 31 -6.840 -15.263 3.890 1.00 40.32 C ATOM 488 O GLY A 31 -7.758 -15.986 4.286 1.00 52.43 O ATOM 0 H GLY A 31 -4.235 -14.169 3.201 1.00 13.12 H new ATOM 0 HA2 GLY A 31 -5.031 -16.367 3.534 1.00 44.13 H new ATOM 0 HA3 GLY A 31 -5.338 -16.024 5.225 1.00 44.13 H new ATOM 492 N TYR A 32 -7.047 -14.154 3.175 1.00 23.41 N ATOM 493 CA TYR A 32 -8.389 -13.722 2.745 1.00 53.11 C ATOM 494 C TYR A 32 -8.347 -13.159 1.305 1.00 34.04 C ATOM 495 O TYR A 32 -8.753 -12.021 1.065 1.00 40.21 O ATOM 496 CB TYR A 32 -8.931 -12.639 3.700 1.00 62.54 C ATOM 497 CG TYR A 32 -8.788 -12.972 5.179 1.00 44.34 C ATOM 498 CD1 TYR A 32 -9.713 -13.786 5.829 1.00 42.31 C ATOM 499 CD2 TYR A 32 -7.722 -12.471 5.921 1.00 71.14 C ATOM 500 CE1 TYR A 32 -9.578 -14.087 7.173 1.00 32.31 C ATOM 501 CE2 TYR A 32 -7.581 -12.771 7.262 1.00 71.21 C ATOM 502 CZ TYR A 32 -8.510 -13.577 7.883 1.00 14.32 C ATOM 503 OH TYR A 32 -8.367 -13.874 9.220 1.00 24.50 O ATOM 0 H TYR A 32 -6.297 -13.530 2.877 1.00 23.41 H new ATOM 0 HA TYR A 32 -9.047 -14.590 2.768 1.00 53.11 H new ATOM 0 HB2 TYR A 32 -8.411 -11.702 3.500 1.00 62.54 H new ATOM 0 HB3 TYR A 32 -9.985 -12.472 3.478 1.00 62.54 H new ATOM 0 HD1 TYR A 32 -10.548 -14.188 5.275 1.00 42.31 H new ATOM 0 HD2 TYR A 32 -6.992 -11.837 5.440 1.00 71.14 H new ATOM 0 HE1 TYR A 32 -10.305 -14.718 7.664 1.00 32.31 H new ATOM 0 HE2 TYR A 32 -6.746 -12.375 7.821 1.00 71.21 H new ATOM 0 HH TYR A 32 -7.562 -13.436 9.568 1.00 24.50 H new ATOM 513 N PRO A 33 -7.890 -13.964 0.320 1.00 61.14 N ATOM 514 CA PRO A 33 -7.591 -13.477 -1.049 1.00 40.43 C ATOM 515 C PRO A 33 -8.773 -12.777 -1.755 1.00 22.44 C ATOM 516 O PRO A 33 -8.566 -11.887 -2.585 1.00 0.24 O ATOM 517 CB PRO A 33 -7.187 -14.756 -1.810 1.00 73.45 C ATOM 518 CG PRO A 33 -7.712 -15.885 -0.984 1.00 4.34 C ATOM 519 CD PRO A 33 -7.652 -15.414 0.442 1.00 62.41 C ATOM 0 HA PRO A 33 -6.820 -12.707 -1.019 1.00 40.43 H new ATOM 0 HB2 PRO A 33 -7.615 -14.769 -2.813 1.00 73.45 H new ATOM 0 HB3 PRO A 33 -6.105 -14.821 -1.924 1.00 73.45 H new ATOM 0 HG2 PRO A 33 -8.733 -16.136 -1.270 1.00 4.34 H new ATOM 0 HG3 PRO A 33 -7.112 -16.784 -1.124 1.00 4.34 H new ATOM 0 HD2 PRO A 33 -8.409 -15.897 1.059 1.00 62.41 H new ATOM 0 HD3 PRO A 33 -6.685 -15.628 0.898 1.00 62.41 H new ATOM 527 N GLY A 34 -10.004 -13.183 -1.439 1.00 33.10 N ATOM 528 CA GLY A 34 -11.181 -12.592 -2.083 1.00 4.33 C ATOM 529 C GLY A 34 -11.723 -11.347 -1.377 1.00 24.32 C ATOM 530 O GLY A 34 -12.510 -10.591 -1.951 1.00 54.44 O ATOM 0 H GLY A 34 -10.212 -13.908 -0.752 1.00 33.10 H new ATOM 0 HA2 GLY A 34 -10.927 -12.332 -3.110 1.00 4.33 H new ATOM 0 HA3 GLY A 34 -11.971 -13.342 -2.130 1.00 4.33 H new ATOM 534 N TYR A 35 -11.286 -11.116 -0.141 1.00 4.50 N ATOM 535 CA TYR A 35 -11.835 -10.034 0.696 1.00 23.23 C ATOM 536 C TYR A 35 -11.019 -8.731 0.584 1.00 43.23 C ATOM 537 O TYR A 35 -11.048 -7.887 1.483 1.00 73.53 O ATOM 538 CB TYR A 35 -11.906 -10.511 2.155 1.00 63.41 C ATOM 539 CG TYR A 35 -12.847 -11.689 2.348 1.00 22.11 C ATOM 540 CD1 TYR A 35 -12.451 -12.980 2.015 1.00 73.12 C ATOM 541 CD2 TYR A 35 -14.135 -11.508 2.844 1.00 51.24 C ATOM 542 CE1 TYR A 35 -13.308 -14.053 2.169 1.00 71.03 C ATOM 543 CE2 TYR A 35 -14.995 -12.580 3.007 1.00 44.11 C ATOM 544 CZ TYR A 35 -14.576 -13.849 2.664 1.00 11.31 C ATOM 545 OH TYR A 35 -15.434 -14.920 2.810 1.00 11.33 O ATOM 0 H TYR A 35 -10.552 -11.661 0.310 1.00 4.50 H new ATOM 0 HA TYR A 35 -12.836 -9.801 0.334 1.00 23.23 H new ATOM 0 HB2 TYR A 35 -10.907 -10.792 2.489 1.00 63.41 H new ATOM 0 HB3 TYR A 35 -12.232 -9.685 2.786 1.00 63.41 H new ATOM 0 HD1 TYR A 35 -11.456 -13.147 1.629 1.00 73.12 H new ATOM 0 HD2 TYR A 35 -14.469 -10.515 3.106 1.00 51.24 H new ATOM 0 HE1 TYR A 35 -12.984 -15.048 1.902 1.00 71.03 H new ATOM 0 HE2 TYR A 35 -15.989 -12.424 3.401 1.00 44.11 H new ATOM 0 HH TYR A 35 -16.289 -14.607 3.172 1.00 11.33 H new ATOM 555 N ALA A 36 -10.340 -8.552 -0.552 1.00 3.31 N ATOM 556 CA ALA A 36 -9.530 -7.350 -0.810 1.00 4.11 C ATOM 557 C ALA A 36 -10.338 -6.052 -0.619 1.00 11.52 C ATOM 558 O ALA A 36 -9.811 -5.047 -0.135 1.00 2.13 O ATOM 559 CB ALA A 36 -8.949 -7.407 -2.219 1.00 74.23 C ATOM 0 H ALA A 36 -10.333 -9.228 -1.316 1.00 3.31 H new ATOM 0 HA ALA A 36 -8.720 -7.337 -0.081 1.00 4.11 H new ATOM 0 HB1 ALA A 36 -8.351 -6.514 -2.402 1.00 74.23 H new ATOM 0 HB2 ALA A 36 -8.320 -8.292 -2.318 1.00 74.23 H new ATOM 0 HB3 ALA A 36 -9.760 -7.456 -2.945 1.00 74.23 H new ATOM 565 N ARG A 37 -11.615 -6.077 -1.001 1.00 64.50 N ATOM 566 CA ARG A 37 -12.498 -4.915 -0.834 1.00 71.31 C ATOM 567 C ARG A 37 -12.613 -4.503 0.647 1.00 35.14 C ATOM 568 O ARG A 37 -12.555 -3.316 0.980 1.00 45.02 O ATOM 569 CB ARG A 37 -13.890 -5.213 -1.412 1.00 54.21 C ATOM 570 CG ARG A 37 -14.600 -6.393 -0.750 1.00 54.14 C ATOM 571 CD ARG A 37 -15.966 -6.657 -1.373 1.00 31.22 C ATOM 572 NE ARG A 37 -16.848 -5.496 -1.277 1.00 43.30 N ATOM 573 CZ ARG A 37 -17.358 -4.873 -2.306 1.00 51.11 C ATOM 574 NH1 ARG A 37 -17.088 -5.255 -3.514 1.00 1.10 N ATOM 575 NH2 ARG A 37 -18.135 -3.860 -2.116 1.00 61.04 N ATOM 0 H ARG A 37 -12.064 -6.887 -1.428 1.00 64.50 H new ATOM 0 HA ARG A 37 -12.057 -4.081 -1.381 1.00 71.31 H new ATOM 0 HB2 ARG A 37 -14.512 -4.324 -1.309 1.00 54.21 H new ATOM 0 HB3 ARG A 37 -13.793 -5.413 -2.479 1.00 54.21 H new ATOM 0 HG2 ARG A 37 -13.981 -7.286 -0.840 1.00 54.14 H new ATOM 0 HG3 ARG A 37 -14.719 -6.194 0.315 1.00 54.14 H new ATOM 0 HD2 ARG A 37 -15.839 -6.930 -2.421 1.00 31.22 H new ATOM 0 HD3 ARG A 37 -16.432 -7.508 -0.876 1.00 31.22 H new ATOM 0 HE ARG A 37 -17.081 -5.149 -0.346 1.00 43.30 H new ATOM 0 HH11 ARG A 37 -16.470 -6.051 -3.671 1.00 1.10 H new ATOM 0 HH12 ARG A 37 -17.493 -4.759 -4.308 1.00 1.10 H new ATOM 0 HH21 ARG A 37 -18.347 -3.551 -1.167 1.00 61.04 H new ATOM 0 HH22 ARG A 37 -18.537 -3.369 -2.914 1.00 61.04 H new ATOM 589 N HIS A 38 -12.761 -5.493 1.531 1.00 0.05 N ATOM 590 CA HIS A 38 -12.842 -5.246 2.973 1.00 15.43 C ATOM 591 C HIS A 38 -11.501 -4.725 3.514 1.00 62.23 C ATOM 592 O HIS A 38 -11.463 -3.867 4.401 1.00 62.35 O ATOM 593 CB HIS A 38 -13.246 -6.533 3.700 1.00 15.53 C ATOM 594 CG HIS A 38 -14.557 -7.094 3.232 1.00 64.23 C ATOM 595 ND1 HIS A 38 -14.619 -8.090 2.286 1.00 60.23 N ATOM 596 CD2 HIS A 38 -15.817 -6.765 3.607 1.00 24.22 C ATOM 597 CE1 HIS A 38 -15.904 -8.344 2.109 1.00 1.32 C ATOM 598 NE2 HIS A 38 -16.665 -7.565 2.887 1.00 14.00 N ATOM 0 H HIS A 38 -12.827 -6.477 1.272 1.00 0.05 H new ATOM 0 HA HIS A 38 -13.599 -4.483 3.153 1.00 15.43 H new ATOM 0 HB2 HIS A 38 -12.467 -7.282 3.558 1.00 15.53 H new ATOM 0 HB3 HIS A 38 -13.305 -6.334 4.770 1.00 15.53 H new ATOM 0 HD2 HIS A 38 -16.098 -6.017 4.333 1.00 24.22 H new ATOM 0 HE1 HIS A 38 -16.290 -9.085 1.425 1.00 1.32 H new ATOM 0 HE2 HIS A 38 -17.684 -7.567 2.935 1.00 14.00 H new ATOM 606 N VAL A 39 -10.404 -5.245 2.965 1.00 71.12 N ATOM 607 CA VAL A 39 -9.061 -4.759 3.296 1.00 54.13 C ATOM 608 C VAL A 39 -8.916 -3.268 2.941 1.00 11.24 C ATOM 609 O VAL A 39 -8.339 -2.487 3.701 1.00 25.21 O ATOM 610 CB VAL A 39 -7.967 -5.577 2.557 1.00 41.24 C ATOM 611 CG1 VAL A 39 -6.568 -5.071 2.909 1.00 22.44 C ATOM 612 CG2 VAL A 39 -8.101 -7.068 2.874 1.00 65.21 C ATOM 0 H VAL A 39 -10.417 -6.006 2.286 1.00 71.12 H new ATOM 0 HA VAL A 39 -8.926 -4.886 4.370 1.00 54.13 H new ATOM 0 HB VAL A 39 -8.112 -5.440 1.485 1.00 41.24 H new ATOM 0 HG11 VAL A 39 -5.823 -5.662 2.377 1.00 22.44 H new ATOM 0 HG12 VAL A 39 -6.476 -4.025 2.618 1.00 22.44 H new ATOM 0 HG13 VAL A 39 -6.407 -5.165 3.983 1.00 22.44 H new ATOM 0 HG21 VAL A 39 -7.325 -7.623 2.347 1.00 65.21 H new ATOM 0 HG22 VAL A 39 -7.992 -7.223 3.947 1.00 65.21 H new ATOM 0 HG23 VAL A 39 -9.081 -7.421 2.554 1.00 65.21 H new ATOM 622 N GLY A 40 -9.465 -2.879 1.787 1.00 13.43 N ATOM 623 CA GLY A 40 -9.445 -1.479 1.368 1.00 5.44 C ATOM 624 C GLY A 40 -10.189 -0.552 2.329 1.00 22.04 C ATOM 625 O GLY A 40 -9.720 0.547 2.640 1.00 45.35 O ATOM 0 H GLY A 40 -9.925 -3.511 1.132 1.00 13.43 H new ATOM 0 HA2 GLY A 40 -8.410 -1.147 1.281 1.00 5.44 H new ATOM 0 HA3 GLY A 40 -9.890 -1.397 0.376 1.00 5.44 H new ATOM 629 N LYS A 41 -11.358 -0.992 2.795 1.00 55.15 N ATOM 630 CA LYS A 41 -12.138 -0.232 3.778 1.00 22.02 C ATOM 631 C LYS A 41 -11.407 -0.158 5.129 1.00 53.12 C ATOM 632 O LYS A 41 -11.398 0.884 5.788 1.00 75.31 O ATOM 633 CB LYS A 41 -13.530 -0.868 3.965 1.00 62.22 C ATOM 634 CG LYS A 41 -14.424 -0.842 2.718 1.00 64.42 C ATOM 635 CD LYS A 41 -15.212 0.469 2.569 1.00 72.25 C ATOM 636 CE LYS A 41 -14.329 1.668 2.224 1.00 54.30 C ATOM 637 NZ LYS A 41 -13.693 1.536 0.886 1.00 44.35 N ATOM 0 H LYS A 41 -11.788 -1.872 2.509 1.00 55.15 H new ATOM 0 HA LYS A 41 -12.258 0.783 3.399 1.00 22.02 H new ATOM 0 HB2 LYS A 41 -13.401 -1.903 4.280 1.00 62.22 H new ATOM 0 HB3 LYS A 41 -14.045 -0.350 4.774 1.00 62.22 H new ATOM 0 HG2 LYS A 41 -13.806 -0.990 1.832 1.00 64.42 H new ATOM 0 HG3 LYS A 41 -15.124 -1.677 2.762 1.00 64.42 H new ATOM 0 HD2 LYS A 41 -15.966 0.346 1.791 1.00 72.25 H new ATOM 0 HD3 LYS A 41 -15.744 0.673 3.498 1.00 72.25 H new ATOM 0 HE2 LYS A 41 -14.929 2.577 2.250 1.00 54.30 H new ATOM 0 HE3 LYS A 41 -13.554 1.776 2.983 1.00 54.30 H new ATOM 0 HZ1 LYS A 41 -13.245 2.437 0.624 1.00 44.35 H new ATOM 0 HZ2 LYS A 41 -12.972 0.787 0.917 1.00 44.35 H new ATOM 0 HZ3 LYS A 41 -14.417 1.291 0.180 1.00 44.35 H new ATOM 651 N ALA A 42 -10.782 -1.268 5.522 1.00 31.13 N ATOM 652 CA ALA A 42 -10.046 -1.344 6.789 1.00 21.11 C ATOM 653 C ALA A 42 -8.837 -0.396 6.802 1.00 23.12 C ATOM 654 O ALA A 42 -8.691 0.433 7.702 1.00 2.51 O ATOM 655 CB ALA A 42 -9.599 -2.779 7.043 1.00 45.20 C ATOM 0 H ALA A 42 -10.770 -2.132 4.980 1.00 31.13 H new ATOM 0 HA ALA A 42 -10.717 -1.028 7.588 1.00 21.11 H new ATOM 0 HB1 ALA A 42 -9.053 -2.829 7.985 1.00 45.20 H new ATOM 0 HB2 ALA A 42 -10.473 -3.428 7.095 1.00 45.20 H new ATOM 0 HB3 ALA A 42 -8.951 -3.107 6.230 1.00 45.20 H new ATOM 661 N LEU A 43 -7.975 -0.528 5.797 1.00 54.44 N ATOM 662 CA LEU A 43 -6.787 0.322 5.673 1.00 53.41 C ATOM 663 C LEU A 43 -7.168 1.789 5.416 1.00 52.43 C ATOM 664 O LEU A 43 -6.520 2.706 5.917 1.00 64.44 O ATOM 665 CB LEU A 43 -5.884 -0.197 4.547 1.00 73.41 C ATOM 666 CG LEU A 43 -5.313 -1.611 4.767 1.00 3.33 C ATOM 667 CD1 LEU A 43 -4.482 -2.057 3.569 1.00 54.22 C ATOM 668 CD2 LEU A 43 -4.482 -1.663 6.049 1.00 13.14 C ATOM 0 H LEU A 43 -8.075 -1.218 5.052 1.00 54.44 H new ATOM 0 HA LEU A 43 -6.244 0.280 6.617 1.00 53.41 H new ATOM 0 HB2 LEU A 43 -6.451 -0.192 3.616 1.00 73.41 H new ATOM 0 HB3 LEU A 43 -5.054 0.497 4.419 1.00 73.41 H new ATOM 0 HG LEU A 43 -6.151 -2.301 4.872 1.00 3.33 H new ATOM 0 HD11 LEU A 43 -4.091 -3.058 3.750 1.00 54.22 H new ATOM 0 HD12 LEU A 43 -5.107 -2.068 2.676 1.00 54.22 H new ATOM 0 HD13 LEU A 43 -3.653 -1.364 3.423 1.00 54.22 H new ATOM 0 HD21 LEU A 43 -4.088 -2.670 6.186 1.00 13.14 H new ATOM 0 HD22 LEU A 43 -3.655 -0.956 5.976 1.00 13.14 H new ATOM 0 HD23 LEU A 43 -5.110 -1.400 6.900 1.00 13.14 H new ATOM 680 N GLY A 44 -8.230 2.001 4.640 1.00 52.13 N ATOM 681 CA GLY A 44 -8.722 3.352 4.388 1.00 12.32 C ATOM 682 C GLY A 44 -9.180 4.074 5.657 1.00 73.00 C ATOM 683 O GLY A 44 -9.276 5.301 5.681 1.00 2.34 O ATOM 0 H GLY A 44 -8.761 1.262 4.180 1.00 52.13 H new ATOM 0 HA2 GLY A 44 -7.935 3.935 3.910 1.00 12.32 H new ATOM 0 HA3 GLY A 44 -9.554 3.303 3.685 1.00 12.32 H new ATOM 687 N ASN A 45 -9.464 3.311 6.713 1.00 73.21 N ATOM 688 CA ASN A 45 -9.909 3.881 7.995 1.00 41.14 C ATOM 689 C ASN A 45 -8.711 4.278 8.884 1.00 11.40 C ATOM 690 O ASN A 45 -8.884 4.825 9.977 1.00 41.22 O ATOM 691 CB ASN A 45 -10.804 2.866 8.722 1.00 1.45 C ATOM 692 CG ASN A 45 -11.518 3.455 9.927 1.00 12.54 C ATOM 693 OD1 ASN A 45 -11.029 3.397 11.053 1.00 73.21 O ATOM 694 ND2 ASN A 45 -12.680 4.033 9.704 1.00 55.50 N ATOM 0 H ASN A 45 -9.395 2.293 6.710 1.00 73.21 H new ATOM 0 HA ASN A 45 -10.478 4.788 7.791 1.00 41.14 H new ATOM 0 HB2 ASN A 45 -11.544 2.478 8.023 1.00 1.45 H new ATOM 0 HB3 ASN A 45 -10.196 2.021 9.045 1.00 1.45 H new ATOM 0 HD21 ASN A 45 -13.200 4.448 10.477 1.00 55.50 H new ATOM 0 HD22 ASN A 45 -13.060 4.066 8.758 1.00 55.50 H new ATOM 701 N LEU A 46 -7.495 4.007 8.411 1.00 61.34 N ATOM 702 CA LEU A 46 -6.275 4.342 9.162 1.00 43.35 C ATOM 703 C LEU A 46 -5.887 5.821 8.989 1.00 25.22 C ATOM 704 O LEU A 46 -5.937 6.363 7.882 1.00 33.12 O ATOM 705 CB LEU A 46 -5.102 3.456 8.714 1.00 64.11 C ATOM 706 CG LEU A 46 -5.235 1.961 9.041 1.00 55.01 C ATOM 707 CD1 LEU A 46 -4.075 1.171 8.440 1.00 33.25 C ATOM 708 CD2 LEU A 46 -5.307 1.741 10.553 1.00 63.22 C ATOM 0 H LEU A 46 -7.323 3.557 7.512 1.00 61.34 H new ATOM 0 HA LEU A 46 -6.490 4.161 10.215 1.00 43.35 H new ATOM 0 HB2 LEU A 46 -4.980 3.564 7.636 1.00 64.11 H new ATOM 0 HB3 LEU A 46 -4.189 3.831 9.178 1.00 64.11 H new ATOM 0 HG LEU A 46 -6.163 1.599 8.598 1.00 55.01 H new ATOM 0 HD11 LEU A 46 -4.189 0.115 8.684 1.00 33.25 H new ATOM 0 HD12 LEU A 46 -4.073 1.295 7.357 1.00 33.25 H new ATOM 0 HD13 LEU A 46 -3.134 1.538 8.849 1.00 33.25 H new ATOM 0 HD21 LEU A 46 -5.401 0.675 10.762 1.00 63.22 H new ATOM 0 HD22 LEU A 46 -4.399 2.124 11.020 1.00 63.22 H new ATOM 0 HD23 LEU A 46 -6.172 2.267 10.956 1.00 63.22 H new ATOM 720 N PRO A 47 -5.494 6.500 10.085 1.00 61.41 N ATOM 721 CA PRO A 47 -4.992 7.881 10.023 1.00 33.34 C ATOM 722 C PRO A 47 -3.531 7.951 9.547 1.00 4.51 C ATOM 723 O PRO A 47 -2.773 6.987 9.688 1.00 2.54 O ATOM 724 CB PRO A 47 -5.110 8.344 11.479 1.00 52.12 C ATOM 725 CG PRO A 47 -4.900 7.101 12.277 1.00 33.11 C ATOM 726 CD PRO A 47 -5.518 5.984 11.472 1.00 11.01 C ATOM 0 HA PRO A 47 -5.545 8.496 9.313 1.00 33.34 H new ATOM 0 HB2 PRO A 47 -4.363 9.101 11.718 1.00 52.12 H new ATOM 0 HB3 PRO A 47 -6.087 8.785 11.679 1.00 52.12 H new ATOM 0 HG2 PRO A 47 -3.839 6.920 12.446 1.00 33.11 H new ATOM 0 HG3 PRO A 47 -5.369 7.182 13.257 1.00 33.11 H new ATOM 0 HD2 PRO A 47 -4.948 5.060 11.566 1.00 11.01 H new ATOM 0 HD3 PRO A 47 -6.534 5.767 11.802 1.00 11.01 H new ATOM 734 N GLU A 48 -3.136 9.097 8.996 1.00 33.42 N ATOM 735 CA GLU A 48 -1.752 9.304 8.542 1.00 33.53 C ATOM 736 C GLU A 48 -0.734 9.003 9.661 1.00 33.34 C ATOM 737 O GLU A 48 0.367 8.516 9.399 1.00 34.04 O ATOM 738 CB GLU A 48 -1.556 10.741 8.015 1.00 72.32 C ATOM 739 CG GLU A 48 -1.751 11.844 9.056 1.00 61.43 C ATOM 740 CD GLU A 48 -3.175 11.919 9.587 1.00 42.13 C ATOM 741 OE1 GLU A 48 -4.058 12.432 8.865 1.00 41.14 O ATOM 742 OE2 GLU A 48 -3.422 11.452 10.719 1.00 63.12 O ATOM 0 H GLU A 48 -3.750 9.899 8.851 1.00 33.42 H new ATOM 0 HA GLU A 48 -1.571 8.603 7.727 1.00 33.53 H new ATOM 0 HB2 GLU A 48 -0.551 10.826 7.601 1.00 72.32 H new ATOM 0 HB3 GLU A 48 -2.254 10.909 7.195 1.00 72.32 H new ATOM 0 HG2 GLU A 48 -1.068 11.675 9.888 1.00 61.43 H new ATOM 0 HG3 GLU A 48 -1.483 12.804 8.614 1.00 61.43 H new ATOM 749 N GLY A 49 -1.120 9.273 10.908 1.00 11.22 N ATOM 750 CA GLY A 49 -0.249 8.986 12.045 1.00 43.13 C ATOM 751 C GLY A 49 -0.430 7.575 12.615 1.00 32.24 C ATOM 752 O GLY A 49 -0.253 7.356 13.817 1.00 4.14 O ATOM 0 H GLY A 49 -2.020 9.685 11.154 1.00 11.22 H new ATOM 0 HA2 GLY A 49 0.789 9.115 11.738 1.00 43.13 H new ATOM 0 HA3 GLY A 49 -0.441 9.715 12.833 1.00 43.13 H new ATOM 756 N SER A 50 -0.786 6.617 11.757 1.00 22.53 N ATOM 757 CA SER A 50 -0.960 5.213 12.177 1.00 12.20 C ATOM 758 C SER A 50 0.389 4.503 12.358 1.00 15.01 C ATOM 759 O SER A 50 1.363 4.796 11.657 1.00 73.12 O ATOM 760 CB SER A 50 -1.807 4.438 11.153 1.00 73.11 C ATOM 761 OG SER A 50 -1.986 3.077 11.537 1.00 53.32 O ATOM 0 H SER A 50 -0.961 6.781 10.766 1.00 22.53 H new ATOM 0 HA SER A 50 -1.475 5.230 13.138 1.00 12.20 H new ATOM 0 HB2 SER A 50 -2.780 4.917 11.049 1.00 73.11 H new ATOM 0 HB3 SER A 50 -1.325 4.480 10.176 1.00 73.11 H new ATOM 0 HG SER A 50 -2.237 2.546 10.753 1.00 53.32 H new ATOM 767 N LYS A 51 0.434 3.562 13.301 1.00 50.20 N ATOM 768 CA LYS A 51 1.640 2.764 13.550 1.00 63.34 C ATOM 769 C LYS A 51 1.979 1.887 12.334 1.00 25.33 C ATOM 770 O LYS A 51 3.148 1.705 11.985 1.00 3.44 O ATOM 771 CB LYS A 51 1.439 1.879 14.791 1.00 20.14 C ATOM 772 CG LYS A 51 2.692 1.122 15.224 1.00 63.13 C ATOM 773 CD LYS A 51 2.433 0.184 16.406 1.00 74.52 C ATOM 774 CE LYS A 51 2.017 0.926 17.682 1.00 44.43 C ATOM 775 NZ LYS A 51 0.643 1.498 17.598 1.00 63.21 N ATOM 0 H LYS A 51 -0.352 3.331 13.908 1.00 50.20 H new ATOM 0 HA LYS A 51 2.471 3.448 13.724 1.00 63.34 H new ATOM 0 HB2 LYS A 51 1.100 2.503 15.618 1.00 20.14 H new ATOM 0 HB3 LYS A 51 0.645 1.160 14.587 1.00 20.14 H new ATOM 0 HG2 LYS A 51 3.072 0.543 14.382 1.00 63.13 H new ATOM 0 HG3 LYS A 51 3.469 1.837 15.496 1.00 63.13 H new ATOM 0 HD2 LYS A 51 1.652 -0.526 16.134 1.00 74.52 H new ATOM 0 HD3 LYS A 51 3.334 -0.395 16.607 1.00 74.52 H new ATOM 0 HE2 LYS A 51 2.069 0.241 18.528 1.00 44.43 H new ATOM 0 HE3 LYS A 51 2.728 1.729 17.878 1.00 44.43 H new ATOM 0 HZ1 LYS A 51 0.702 2.533 17.513 1.00 63.21 H new ATOM 0 HZ2 LYS A 51 0.156 1.110 16.765 1.00 63.21 H new ATOM 0 HZ3 LYS A 51 0.111 1.251 18.457 1.00 63.21 H new ATOM 789 N LEU A 52 0.940 1.353 11.697 1.00 70.14 N ATOM 790 CA LEU A 52 1.094 0.533 10.492 1.00 13.23 C ATOM 791 C LEU A 52 1.463 1.399 9.273 1.00 54.33 C ATOM 792 O LEU A 52 0.800 2.403 9.004 1.00 24.52 O ATOM 793 CB LEU A 52 -0.218 -0.206 10.196 1.00 74.32 C ATOM 794 CG LEU A 52 -0.193 -1.109 8.948 1.00 52.22 C ATOM 795 CD1 LEU A 52 0.620 -2.373 9.209 1.00 13.01 C ATOM 796 CD2 LEU A 52 -1.607 -1.456 8.489 1.00 52.51 C ATOM 0 H LEU A 52 -0.028 1.474 11.997 1.00 70.14 H new ATOM 0 HA LEU A 52 1.897 -0.181 10.673 1.00 13.23 H new ATOM 0 HB2 LEU A 52 -0.476 -0.816 11.062 1.00 74.32 H new ATOM 0 HB3 LEU A 52 -1.013 0.530 10.076 1.00 74.32 H new ATOM 0 HG LEU A 52 0.291 -0.554 8.144 1.00 52.22 H new ATOM 0 HD11 LEU A 52 0.623 -2.995 8.314 1.00 13.01 H new ATOM 0 HD12 LEU A 52 1.644 -2.101 9.465 1.00 13.01 H new ATOM 0 HD13 LEU A 52 0.175 -2.928 10.035 1.00 13.01 H new ATOM 0 HD21 LEU A 52 -1.557 -2.094 7.607 1.00 52.51 H new ATOM 0 HD22 LEU A 52 -2.130 -1.982 9.288 1.00 52.51 H new ATOM 0 HD23 LEU A 52 -2.145 -0.540 8.244 1.00 52.51 H new ATOM 808 N PRO A 53 2.517 1.033 8.512 1.00 34.55 N ATOM 809 CA PRO A 53 2.841 1.736 7.262 1.00 62.24 C ATOM 810 C PRO A 53 1.735 1.553 6.206 1.00 13.25 C ATOM 811 O PRO A 53 1.711 0.572 5.464 1.00 41.40 O ATOM 812 CB PRO A 53 4.161 1.084 6.811 1.00 1.40 C ATOM 813 CG PRO A 53 4.188 -0.244 7.497 1.00 34.41 C ATOM 814 CD PRO A 53 3.474 -0.049 8.808 1.00 63.04 C ATOM 0 HA PRO A 53 2.927 2.814 7.398 1.00 62.24 H new ATOM 0 HB2 PRO A 53 4.195 0.970 5.728 1.00 1.40 H new ATOM 0 HB3 PRO A 53 5.020 1.693 7.095 1.00 1.40 H new ATOM 0 HG2 PRO A 53 3.694 -1.005 6.893 1.00 34.41 H new ATOM 0 HG3 PRO A 53 5.213 -0.580 7.657 1.00 34.41 H new ATOM 0 HD2 PRO A 53 2.967 -0.959 9.130 1.00 63.04 H new ATOM 0 HD3 PRO A 53 4.164 0.230 9.605 1.00 63.04 H new ATOM 822 N TRP A 54 0.831 2.525 6.143 1.00 73.20 N ATOM 823 CA TRP A 54 -0.346 2.464 5.261 1.00 44.41 C ATOM 824 C TRP A 54 -0.005 2.822 3.803 1.00 31.21 C ATOM 825 O TRP A 54 -0.606 2.301 2.863 1.00 64.22 O ATOM 826 CB TRP A 54 -1.435 3.405 5.810 1.00 34.13 C ATOM 827 CG TRP A 54 -0.887 4.721 6.300 1.00 24.13 C ATOM 828 CD1 TRP A 54 -0.506 5.020 7.579 1.00 14.23 C ATOM 829 CD2 TRP A 54 -0.640 5.903 5.527 1.00 52.21 C ATOM 830 NE1 TRP A 54 -0.033 6.306 7.644 1.00 65.41 N ATOM 831 CE2 TRP A 54 -0.108 6.870 6.400 1.00 30.42 C ATOM 832 CE3 TRP A 54 -0.814 6.237 4.182 1.00 41.34 C ATOM 833 CZ2 TRP A 54 0.250 8.146 5.972 1.00 33.35 C ATOM 834 CZ3 TRP A 54 -0.461 7.504 3.761 1.00 74.21 C ATOM 835 CH2 TRP A 54 0.069 8.445 4.652 1.00 13.13 C ATOM 0 H TRP A 54 0.887 3.379 6.698 1.00 73.20 H new ATOM 0 HA TRP A 54 -0.711 1.437 5.251 1.00 44.41 H new ATOM 0 HB2 TRP A 54 -2.172 3.593 5.029 1.00 34.13 H new ATOM 0 HB3 TRP A 54 -1.957 2.909 6.628 1.00 34.13 H new ATOM 0 HD1 TRP A 54 -0.569 4.342 8.417 1.00 14.23 H new ATOM 0 HE1 TRP A 54 0.318 6.767 8.484 1.00 65.41 H new ATOM 0 HE3 TRP A 54 -1.217 5.518 3.484 1.00 41.34 H new ATOM 0 HZ2 TRP A 54 0.656 8.873 6.660 1.00 33.35 H new ATOM 0 HZ3 TRP A 54 -0.596 7.774 2.724 1.00 74.21 H new ATOM 0 HH2 TRP A 54 0.340 9.425 4.289 1.00 13.13 H new ATOM 846 N PHE A 55 0.977 3.699 3.629 1.00 22.23 N ATOM 847 CA PHE A 55 1.375 4.196 2.303 1.00 53.33 C ATOM 848 C PHE A 55 1.871 3.084 1.362 1.00 75.54 C ATOM 849 O PHE A 55 1.892 3.262 0.146 1.00 41.23 O ATOM 850 CB PHE A 55 2.456 5.278 2.457 1.00 1.53 C ATOM 851 CG PHE A 55 3.641 4.854 3.292 1.00 44.14 C ATOM 852 CD1 PHE A 55 3.613 4.974 4.677 1.00 33.33 C ATOM 853 CD2 PHE A 55 4.786 4.343 2.695 1.00 64.50 C ATOM 854 CE1 PHE A 55 4.698 4.592 5.443 1.00 52.21 C ATOM 855 CE2 PHE A 55 5.872 3.962 3.457 1.00 52.15 C ATOM 856 CZ PHE A 55 5.828 4.086 4.831 1.00 33.12 C ATOM 0 H PHE A 55 1.523 4.089 4.397 1.00 22.23 H new ATOM 0 HA PHE A 55 0.482 4.618 1.842 1.00 53.33 H new ATOM 0 HB2 PHE A 55 2.808 5.567 1.467 1.00 1.53 H new ATOM 0 HB3 PHE A 55 2.007 6.163 2.907 1.00 1.53 H new ATOM 0 HD1 PHE A 55 2.732 5.371 5.160 1.00 33.33 H new ATOM 0 HD2 PHE A 55 4.827 4.242 1.620 1.00 64.50 H new ATOM 0 HE1 PHE A 55 4.662 4.689 6.518 1.00 52.21 H new ATOM 0 HE2 PHE A 55 6.756 3.567 2.978 1.00 52.15 H new ATOM 0 HZ PHE A 55 6.677 3.787 5.428 1.00 33.12 H new ATOM 866 N ARG A 56 2.254 1.938 1.927 1.00 1.35 N ATOM 867 CA ARG A 56 2.815 0.829 1.137 1.00 62.44 C ATOM 868 C ARG A 56 1.738 0.027 0.384 1.00 43.41 C ATOM 869 O ARG A 56 2.066 -0.874 -0.391 1.00 2.20 O ATOM 870 CB ARG A 56 3.612 -0.115 2.047 1.00 61.35 C ATOM 871 CG ARG A 56 4.909 0.480 2.583 1.00 41.01 C ATOM 872 CD ARG A 56 5.641 -0.503 3.489 1.00 62.43 C ATOM 873 NE ARG A 56 6.947 -0.004 3.898 1.00 51.04 N ATOM 874 CZ ARG A 56 7.660 -0.511 4.862 1.00 14.13 C ATOM 875 NH1 ARG A 56 7.228 -1.525 5.544 1.00 41.51 N ATOM 876 NH2 ARG A 56 8.809 0.002 5.138 1.00 50.44 N ATOM 0 H ARG A 56 2.188 1.749 2.927 1.00 1.35 H new ATOM 0 HA ARG A 56 3.470 1.276 0.389 1.00 62.44 H new ATOM 0 HB2 ARG A 56 2.984 -0.406 2.889 1.00 61.35 H new ATOM 0 HB3 ARG A 56 3.844 -1.025 1.493 1.00 61.35 H new ATOM 0 HG2 ARG A 56 5.554 0.759 1.750 1.00 41.01 H new ATOM 0 HG3 ARG A 56 4.690 1.393 3.136 1.00 41.01 H new ATOM 0 HD2 ARG A 56 5.035 -0.700 4.374 1.00 62.43 H new ATOM 0 HD3 ARG A 56 5.763 -1.453 2.969 1.00 62.43 H new ATOM 0 HE ARG A 56 7.329 0.797 3.395 1.00 51.04 H new ATOM 0 HH11 ARG A 56 6.319 -1.935 5.328 1.00 41.51 H new ATOM 0 HH12 ARG A 56 7.797 -1.913 6.297 1.00 41.51 H new ATOM 0 HH21 ARG A 56 9.153 0.799 4.603 1.00 50.44 H new ATOM 0 HH22 ARG A 56 9.374 -0.389 5.892 1.00 50.44 H new ATOM 890 N VAL A 57 0.463 0.333 0.615 1.00 25.44 N ATOM 891 CA VAL A 57 -0.632 -0.385 -0.055 1.00 11.34 C ATOM 892 C VAL A 57 -1.486 0.559 -0.922 1.00 75.23 C ATOM 893 O VAL A 57 -2.030 1.551 -0.434 1.00 52.03 O ATOM 894 CB VAL A 57 -1.545 -1.109 0.966 1.00 40.11 C ATOM 895 CG1 VAL A 57 -2.588 -1.965 0.249 1.00 64.20 C ATOM 896 CG2 VAL A 57 -0.717 -1.958 1.929 1.00 15.11 C ATOM 0 H VAL A 57 0.159 1.067 1.255 1.00 25.44 H new ATOM 0 HA VAL A 57 -0.164 -1.128 -0.701 1.00 11.34 H new ATOM 0 HB VAL A 57 -2.069 -0.351 1.548 1.00 40.11 H new ATOM 0 HG11 VAL A 57 -3.218 -2.464 0.986 1.00 64.20 H new ATOM 0 HG12 VAL A 57 -3.206 -1.330 -0.386 1.00 64.20 H new ATOM 0 HG13 VAL A 57 -2.086 -2.713 -0.365 1.00 64.20 H new ATOM 0 HG21 VAL A 57 -1.380 -2.457 2.636 1.00 15.11 H new ATOM 0 HG22 VAL A 57 -0.158 -2.706 1.366 1.00 15.11 H new ATOM 0 HG23 VAL A 57 -0.022 -1.318 2.472 1.00 15.11 H new ATOM 906 N ILE A 58 -1.605 0.236 -2.210 1.00 32.42 N ATOM 907 CA ILE A 58 -2.358 1.067 -3.160 1.00 11.31 C ATOM 908 C ILE A 58 -3.375 0.238 -3.975 1.00 11.20 C ATOM 909 O ILE A 58 -3.551 -0.961 -3.743 1.00 60.30 O ATOM 910 CB ILE A 58 -1.403 1.800 -4.136 1.00 70.23 C ATOM 911 CG1 ILE A 58 -0.589 0.785 -4.956 1.00 45.11 C ATOM 912 CG2 ILE A 58 -0.483 2.756 -3.374 1.00 24.13 C ATOM 913 CD1 ILE A 58 0.351 1.423 -5.956 1.00 44.31 C ATOM 0 H ILE A 58 -1.189 -0.598 -2.624 1.00 32.42 H new ATOM 0 HA ILE A 58 -2.905 1.799 -2.566 1.00 11.31 H new ATOM 0 HB ILE A 58 -2.002 2.392 -4.828 1.00 70.23 H new ATOM 0 HG12 ILE A 58 -0.011 0.161 -4.274 1.00 45.11 H new ATOM 0 HG13 ILE A 58 -1.276 0.126 -5.486 1.00 45.11 H new ATOM 0 HG21 ILE A 58 0.180 3.261 -4.077 1.00 24.13 H new ATOM 0 HG22 ILE A 58 -1.084 3.496 -2.846 1.00 24.13 H new ATOM 0 HG23 ILE A 58 0.112 2.193 -2.655 1.00 24.13 H new ATOM 0 HD11 ILE A 58 0.890 0.645 -6.496 1.00 44.31 H new ATOM 0 HD12 ILE A 58 -0.222 2.024 -6.662 1.00 44.31 H new ATOM 0 HD13 ILE A 58 1.063 2.060 -5.431 1.00 44.31 H new ATOM 925 N ASN A 59 -4.042 0.891 -4.929 1.00 51.45 N ATOM 926 CA ASN A 59 -5.058 0.231 -5.762 1.00 0.01 C ATOM 927 C ASN A 59 -4.441 -0.416 -7.020 1.00 75.25 C ATOM 928 O ASN A 59 -3.310 -0.109 -7.404 1.00 24.45 O ATOM 929 CB ASN A 59 -6.146 1.243 -6.141 1.00 12.11 C ATOM 930 CG ASN A 59 -5.601 2.410 -6.939 1.00 73.32 C ATOM 931 OD1 ASN A 59 -5.043 3.348 -6.388 1.00 23.42 O ATOM 932 ND2 ASN A 59 -5.787 2.380 -8.241 1.00 50.05 N ATOM 0 H ASN A 59 -3.899 1.877 -5.146 1.00 51.45 H new ATOM 0 HA ASN A 59 -5.504 -0.576 -5.182 1.00 0.01 H new ATOM 0 HB2 ASN A 59 -6.919 0.740 -6.721 1.00 12.11 H new ATOM 0 HB3 ASN A 59 -6.621 1.617 -5.234 1.00 12.11 H new ATOM 0 HD21 ASN A 59 -5.462 3.154 -8.821 1.00 50.05 H new ATOM 0 HD22 ASN A 59 -6.256 1.583 -8.671 1.00 50.05 H new ATOM 939 N SER A 60 -5.207 -1.301 -7.665 1.00 35.51 N ATOM 940 CA SER A 60 -4.709 -2.112 -8.798 1.00 12.21 C ATOM 941 C SER A 60 -4.254 -1.271 -10.004 1.00 1.11 C ATOM 942 O SER A 60 -3.521 -1.761 -10.862 1.00 22.23 O ATOM 943 CB SER A 60 -5.788 -3.107 -9.249 1.00 54.12 C ATOM 944 OG SER A 60 -6.127 -4.005 -8.203 1.00 64.41 O ATOM 0 H SER A 60 -6.182 -1.480 -7.425 1.00 35.51 H new ATOM 0 HA SER A 60 -3.830 -2.640 -8.429 1.00 12.21 H new ATOM 0 HB2 SER A 60 -6.677 -2.563 -9.568 1.00 54.12 H new ATOM 0 HB3 SER A 60 -5.431 -3.668 -10.112 1.00 54.12 H new ATOM 0 HG SER A 60 -6.817 -4.626 -8.516 1.00 64.41 H new ATOM 950 N GLN A 61 -4.698 -0.019 -10.081 1.00 32.34 N ATOM 951 CA GLN A 61 -4.285 0.882 -11.172 1.00 60.52 C ATOM 952 C GLN A 61 -2.884 1.480 -10.931 1.00 45.42 C ATOM 953 O GLN A 61 -2.391 2.267 -11.743 1.00 60.24 O ATOM 954 CB GLN A 61 -5.313 2.011 -11.355 1.00 64.43 C ATOM 955 CG GLN A 61 -6.654 1.543 -11.907 1.00 14.53 C ATOM 956 CD GLN A 61 -7.674 2.667 -11.998 1.00 25.42 C ATOM 957 OE1 GLN A 61 -8.445 2.901 -11.072 1.00 60.42 O ATOM 958 NE2 GLN A 61 -7.677 3.382 -13.105 1.00 22.21 N ATOM 0 H GLN A 61 -5.340 0.400 -9.409 1.00 32.34 H new ATOM 0 HA GLN A 61 -4.238 0.284 -12.082 1.00 60.52 H new ATOM 0 HB2 GLN A 61 -5.477 2.499 -10.394 1.00 64.43 H new ATOM 0 HB3 GLN A 61 -4.897 2.762 -12.027 1.00 64.43 H new ATOM 0 HG2 GLN A 61 -6.505 1.112 -12.897 1.00 14.53 H new ATOM 0 HG3 GLN A 61 -7.048 0.751 -11.271 1.00 14.53 H new ATOM 0 HE21 GLN A 61 -7.023 3.162 -13.856 1.00 22.21 H new ATOM 0 HE22 GLN A 61 -8.333 4.156 -13.211 1.00 22.21 H new ATOM 967 N GLY A 62 -2.250 1.100 -9.821 1.00 22.12 N ATOM 968 CA GLY A 62 -0.935 1.636 -9.483 1.00 13.10 C ATOM 969 C GLY A 62 -0.969 3.131 -9.183 1.00 22.52 C ATOM 970 O GLY A 62 -0.293 3.925 -9.839 1.00 35.45 O ATOM 0 H GLY A 62 -2.623 0.430 -9.148 1.00 22.12 H new ATOM 0 HA2 GLY A 62 -0.542 1.104 -8.616 1.00 13.10 H new ATOM 0 HA3 GLY A 62 -0.248 1.451 -10.309 1.00 13.10 H new ATOM 974 N LYS A 63 -1.753 3.518 -8.181 1.00 3.01 N ATOM 975 CA LYS A 63 -1.944 4.934 -7.850 1.00 42.44 C ATOM 976 C LYS A 63 -2.074 5.151 -6.333 1.00 72.33 C ATOM 977 O LYS A 63 -2.468 4.249 -5.596 1.00 24.52 O ATOM 978 CB LYS A 63 -3.195 5.466 -8.566 1.00 64.52 C ATOM 979 CG LYS A 63 -3.454 6.954 -8.342 1.00 1.25 C ATOM 980 CD LYS A 63 -4.721 7.427 -9.047 1.00 52.12 C ATOM 981 CE LYS A 63 -4.651 7.208 -10.555 1.00 4.45 C ATOM 982 NZ LYS A 63 -5.866 7.719 -11.240 1.00 64.32 N ATOM 0 H LYS A 63 -2.268 2.873 -7.581 1.00 3.01 H new ATOM 0 HA LYS A 63 -1.064 5.481 -8.187 1.00 42.44 H new ATOM 0 HB2 LYS A 63 -3.094 5.282 -9.636 1.00 64.52 H new ATOM 0 HB3 LYS A 63 -4.063 4.901 -8.226 1.00 64.52 H new ATOM 0 HG2 LYS A 63 -3.539 7.150 -7.273 1.00 1.25 H new ATOM 0 HG3 LYS A 63 -2.602 7.529 -8.704 1.00 1.25 H new ATOM 0 HD2 LYS A 63 -5.581 6.894 -8.643 1.00 52.12 H new ATOM 0 HD3 LYS A 63 -4.877 8.486 -8.841 1.00 52.12 H new ATOM 0 HE2 LYS A 63 -3.769 7.709 -10.955 1.00 4.45 H new ATOM 0 HE3 LYS A 63 -4.535 6.144 -10.764 1.00 4.45 H new ATOM 0 HZ1 LYS A 63 -5.783 7.553 -12.263 1.00 64.32 H new ATOM 0 HZ2 LYS A 63 -6.704 7.223 -10.876 1.00 64.32 H new ATOM 0 HZ3 LYS A 63 -5.962 8.739 -11.061 1.00 64.32 H new ATOM 996 N ILE A 64 -1.731 6.356 -5.880 1.00 52.22 N ATOM 997 CA ILE A 64 -1.864 6.733 -4.471 1.00 2.44 C ATOM 998 C ILE A 64 -3.327 6.639 -3.995 1.00 74.40 C ATOM 999 O ILE A 64 -4.243 7.154 -4.642 1.00 73.12 O ATOM 1000 CB ILE A 64 -1.327 8.171 -4.240 1.00 31.21 C ATOM 1001 CG1 ILE A 64 0.183 8.236 -4.545 1.00 4.41 C ATOM 1002 CG2 ILE A 64 -1.613 8.646 -2.816 1.00 41.10 C ATOM 1003 CD1 ILE A 64 0.788 9.612 -4.352 1.00 34.33 C ATOM 0 H ILE A 64 -1.355 7.095 -6.474 1.00 52.22 H new ATOM 0 HA ILE A 64 -1.271 6.029 -3.887 1.00 2.44 H new ATOM 0 HB ILE A 64 -1.848 8.841 -4.924 1.00 31.21 H new ATOM 0 HG12 ILE A 64 0.705 7.527 -3.902 1.00 4.41 H new ATOM 0 HG13 ILE A 64 0.350 7.917 -5.574 1.00 4.41 H new ATOM 0 HG21 ILE A 64 -1.225 9.656 -2.685 1.00 41.10 H new ATOM 0 HG22 ILE A 64 -2.689 8.645 -2.641 1.00 41.10 H new ATOM 0 HG23 ILE A 64 -1.129 7.976 -2.105 1.00 41.10 H new ATOM 0 HD11 ILE A 64 1.852 9.578 -4.586 1.00 34.33 H new ATOM 0 HD12 ILE A 64 0.294 10.323 -5.014 1.00 34.33 H new ATOM 0 HD13 ILE A 64 0.654 9.927 -3.317 1.00 34.33 H new ATOM 1015 N SER A 65 -3.536 5.978 -2.855 1.00 63.43 N ATOM 1016 CA SER A 65 -4.889 5.760 -2.317 1.00 14.51 C ATOM 1017 C SER A 65 -5.509 7.060 -1.786 1.00 50.40 C ATOM 1018 O SER A 65 -6.687 7.340 -2.021 1.00 72.44 O ATOM 1019 CB SER A 65 -4.859 4.707 -1.197 1.00 15.20 C ATOM 1020 OG SER A 65 -6.168 4.400 -0.736 1.00 23.12 O ATOM 0 H SER A 65 -2.789 5.583 -2.284 1.00 63.43 H new ATOM 0 HA SER A 65 -5.509 5.401 -3.139 1.00 14.51 H new ATOM 0 HB2 SER A 65 -4.378 3.799 -1.562 1.00 15.20 H new ATOM 0 HB3 SER A 65 -4.256 5.075 -0.366 1.00 15.20 H new ATOM 0 HG SER A 65 -6.222 3.447 -0.515 1.00 23.12 H new ATOM 1026 N LEU A 66 -4.712 7.853 -1.074 1.00 63.25 N ATOM 1027 CA LEU A 66 -5.194 9.108 -0.482 1.00 63.53 C ATOM 1028 C LEU A 66 -5.205 10.260 -1.503 1.00 13.33 C ATOM 1029 O LEU A 66 -4.467 10.242 -2.489 1.00 35.34 O ATOM 1030 CB LEU A 66 -4.327 9.490 0.724 1.00 45.44 C ATOM 1031 CG LEU A 66 -4.246 8.440 1.846 1.00 65.10 C ATOM 1032 CD1 LEU A 66 -3.428 8.972 3.019 1.00 34.42 C ATOM 1033 CD2 LEU A 66 -5.642 8.020 2.306 1.00 70.24 C ATOM 0 H LEU A 66 -3.729 7.653 -0.890 1.00 63.25 H new ATOM 0 HA LEU A 66 -6.221 8.942 -0.158 1.00 63.53 H new ATOM 0 HB2 LEU A 66 -3.317 9.697 0.371 1.00 45.44 H new ATOM 0 HB3 LEU A 66 -4.713 10.418 1.147 1.00 45.44 H new ATOM 0 HG LEU A 66 -3.745 7.558 1.449 1.00 65.10 H new ATOM 0 HD11 LEU A 66 -3.382 8.216 3.803 1.00 34.42 H new ATOM 0 HD12 LEU A 66 -2.419 9.207 2.682 1.00 34.42 H new ATOM 0 HD13 LEU A 66 -3.899 9.873 3.412 1.00 34.42 H new ATOM 0 HD21 LEU A 66 -5.556 7.277 3.099 1.00 70.24 H new ATOM 0 HD22 LEU A 66 -6.179 8.891 2.681 1.00 70.24 H new ATOM 0 HD23 LEU A 66 -6.188 7.591 1.466 1.00 70.24 H new ATOM 1045 N LYS A 67 -6.047 11.267 -1.256 1.00 71.44 N ATOM 1046 CA LYS A 67 -6.210 12.403 -2.180 1.00 73.01 C ATOM 1047 C LYS A 67 -6.031 13.752 -1.460 1.00 13.15 C ATOM 1048 O LYS A 67 -5.988 13.813 -0.228 1.00 11.23 O ATOM 1049 CB LYS A 67 -7.600 12.335 -2.841 1.00 64.43 C ATOM 1050 CG LYS A 67 -7.859 11.028 -3.593 1.00 62.02 C ATOM 1051 CD LYS A 67 -6.993 10.895 -4.847 1.00 3.32 C ATOM 1052 CE LYS A 67 -7.496 11.783 -5.981 1.00 11.41 C ATOM 1053 NZ LYS A 67 -8.858 11.389 -6.434 1.00 34.22 N ATOM 0 H LYS A 67 -6.631 11.323 -0.421 1.00 71.44 H new ATOM 0 HA LYS A 67 -5.435 12.333 -2.944 1.00 73.01 H new ATOM 0 HB2 LYS A 67 -8.364 12.460 -2.074 1.00 64.43 H new ATOM 0 HB3 LYS A 67 -7.704 13.170 -3.534 1.00 64.43 H new ATOM 0 HG2 LYS A 67 -7.664 10.186 -2.929 1.00 62.02 H new ATOM 0 HG3 LYS A 67 -8.911 10.976 -3.874 1.00 62.02 H new ATOM 0 HD2 LYS A 67 -5.963 11.160 -4.607 1.00 3.32 H new ATOM 0 HD3 LYS A 67 -6.986 9.856 -5.175 1.00 3.32 H new ATOM 0 HE2 LYS A 67 -7.510 12.821 -5.650 1.00 11.41 H new ATOM 0 HE3 LYS A 67 -6.804 11.726 -6.821 1.00 11.41 H new ATOM 0 HZ1 LYS A 67 -9.028 11.764 -7.389 1.00 34.22 H new ATOM 0 HZ2 LYS A 67 -8.932 10.352 -6.451 1.00 34.22 H new ATOM 0 HZ3 LYS A 67 -9.567 11.776 -5.779 1.00 34.22 H new ATOM 1067 N GLY A 68 -5.921 14.834 -2.232 1.00 44.32 N ATOM 1068 CA GLY A 68 -5.734 16.165 -1.651 1.00 71.34 C ATOM 1069 C GLY A 68 -4.328 16.373 -1.088 1.00 20.51 C ATOM 1070 O GLY A 68 -3.340 16.029 -1.734 1.00 22.33 O ATOM 0 H GLY A 68 -5.958 14.817 -3.251 1.00 44.32 H new ATOM 0 HA2 GLY A 68 -5.931 16.920 -2.412 1.00 71.34 H new ATOM 0 HA3 GLY A 68 -6.465 16.316 -0.856 1.00 71.34 H new ATOM 1074 N ARG A 69 -4.227 16.937 0.115 1.00 64.55 N ATOM 1075 CA ARG A 69 -2.927 17.083 0.785 1.00 21.42 C ATOM 1076 C ARG A 69 -2.391 15.715 1.243 1.00 23.43 C ATOM 1077 O ARG A 69 -1.180 15.515 1.371 1.00 1.13 O ATOM 1078 CB ARG A 69 -3.036 18.038 1.984 1.00 11.44 C ATOM 1079 CG ARG A 69 -3.365 19.482 1.604 1.00 62.50 C ATOM 1080 CD ARG A 69 -2.261 20.120 0.767 1.00 42.33 C ATOM 1081 NE ARG A 69 -2.594 21.486 0.369 1.00 44.25 N ATOM 1082 CZ ARG A 69 -1.973 22.152 -0.568 1.00 70.43 C ATOM 1083 NH1 ARG A 69 -0.961 21.630 -1.189 1.00 62.41 N ATOM 1084 NH2 ARG A 69 -2.362 23.344 -0.878 1.00 40.03 N ATOM 0 H ARG A 69 -5.020 17.299 0.645 1.00 64.55 H new ATOM 0 HA ARG A 69 -2.226 17.507 0.066 1.00 21.42 H new ATOM 0 HB2 ARG A 69 -3.806 17.667 2.661 1.00 11.44 H new ATOM 0 HB3 ARG A 69 -2.095 18.024 2.533 1.00 11.44 H new ATOM 0 HG2 ARG A 69 -4.301 19.506 1.047 1.00 62.50 H new ATOM 0 HG3 ARG A 69 -3.518 20.069 2.510 1.00 62.50 H new ATOM 0 HD2 ARG A 69 -1.332 20.125 1.337 1.00 42.33 H new ATOM 0 HD3 ARG A 69 -2.086 19.516 -0.123 1.00 42.33 H new ATOM 0 HE ARG A 69 -3.362 21.950 0.855 1.00 44.25 H new ATOM 0 HH11 ARG A 69 -0.643 20.691 -0.947 1.00 62.41 H new ATOM 0 HH12 ARG A 69 -0.483 22.158 -1.919 1.00 62.41 H new ATOM 0 HH21 ARG A 69 -3.154 23.765 -0.391 1.00 40.03 H new ATOM 0 HH22 ARG A 69 -1.878 23.864 -1.609 1.00 40.03 H new ATOM 1098 N ASP A 70 -3.303 14.775 1.490 1.00 60.31 N ATOM 1099 CA ASP A 70 -2.927 13.399 1.831 1.00 62.34 C ATOM 1100 C ASP A 70 -2.238 12.698 0.645 1.00 15.03 C ATOM 1101 O ASP A 70 -1.499 11.732 0.832 1.00 25.23 O ATOM 1102 CB ASP A 70 -4.160 12.605 2.276 1.00 41.13 C ATOM 1103 CG ASP A 70 -4.700 13.071 3.613 1.00 33.31 C ATOM 1104 OD1 ASP A 70 -5.427 14.083 3.644 1.00 71.42 O ATOM 1105 OD2 ASP A 70 -4.388 12.437 4.646 1.00 42.42 O ATOM 0 H ASP A 70 -4.309 14.939 1.461 1.00 60.31 H new ATOM 0 HA ASP A 70 -2.216 13.440 2.656 1.00 62.34 H new ATOM 0 HB2 ASP A 70 -4.940 12.698 1.520 1.00 41.13 H new ATOM 0 HB3 ASP A 70 -3.903 11.548 2.340 1.00 41.13 H new ATOM 1110 N LEU A 71 -2.483 13.203 -0.567 1.00 64.40 N ATOM 1111 CA LEU A 71 -1.800 12.716 -1.776 1.00 3.40 C ATOM 1112 C LEU A 71 -0.277 12.865 -1.621 1.00 22.24 C ATOM 1113 O LEU A 71 0.467 11.880 -1.605 1.00 75.35 O ATOM 1114 CB LEU A 71 -2.308 13.510 -3.005 1.00 73.04 C ATOM 1115 CG LEU A 71 -1.821 13.060 -4.404 1.00 33.31 C ATOM 1116 CD1 LEU A 71 -0.375 13.477 -4.677 1.00 31.04 C ATOM 1117 CD2 LEU A 71 -1.989 11.561 -4.570 1.00 33.03 C ATOM 0 H LEU A 71 -3.152 13.953 -0.741 1.00 64.40 H new ATOM 0 HA LEU A 71 -2.023 11.659 -1.921 1.00 3.40 H new ATOM 0 HB2 LEU A 71 -3.397 13.473 -3.001 1.00 73.04 H new ATOM 0 HB3 LEU A 71 -2.024 14.554 -2.871 1.00 73.04 H new ATOM 0 HG LEU A 71 -2.443 13.568 -5.141 1.00 33.31 H new ATOM 0 HD11 LEU A 71 -0.080 13.139 -5.670 1.00 31.04 H new ATOM 0 HD12 LEU A 71 -0.293 14.563 -4.625 1.00 31.04 H new ATOM 0 HD13 LEU A 71 0.280 13.027 -3.931 1.00 31.04 H new ATOM 0 HD21 LEU A 71 -1.641 11.263 -5.559 1.00 33.03 H new ATOM 0 HD22 LEU A 71 -1.405 11.043 -3.809 1.00 33.03 H new ATOM 0 HD23 LEU A 71 -3.041 11.299 -4.461 1.00 33.03 H new ATOM 1129 N ASP A 72 0.172 14.111 -1.497 1.00 2.43 N ATOM 1130 CA ASP A 72 1.589 14.416 -1.309 1.00 33.20 C ATOM 1131 C ASP A 72 2.132 13.834 0.005 1.00 13.04 C ATOM 1132 O ASP A 72 3.326 13.545 0.119 1.00 63.22 O ATOM 1133 CB ASP A 72 1.800 15.931 -1.328 1.00 32.11 C ATOM 1134 CG ASP A 72 1.541 16.535 -2.694 1.00 61.14 C ATOM 1135 OD1 ASP A 72 0.364 16.621 -3.097 1.00 53.42 O ATOM 1136 OD2 ASP A 72 2.518 16.928 -3.366 1.00 31.24 O ATOM 0 H ASP A 72 -0.431 14.933 -1.524 1.00 2.43 H new ATOM 0 HA ASP A 72 2.138 13.953 -2.129 1.00 33.20 H new ATOM 0 HB2 ASP A 72 1.139 16.396 -0.597 1.00 32.11 H new ATOM 0 HB3 ASP A 72 2.822 16.156 -1.022 1.00 32.11 H new ATOM 1141 N ARG A 73 1.258 13.678 1.000 1.00 52.52 N ATOM 1142 CA ARG A 73 1.657 13.112 2.293 1.00 35.20 C ATOM 1143 C ARG A 73 1.974 11.609 2.174 1.00 10.32 C ATOM 1144 O ARG A 73 2.991 11.132 2.692 1.00 24.43 O ATOM 1145 CB ARG A 73 0.573 13.373 3.352 1.00 13.02 C ATOM 1146 CG ARG A 73 0.924 12.855 4.747 1.00 10.32 C ATOM 1147 CD ARG A 73 0.222 13.644 5.849 1.00 53.41 C ATOM 1148 NE ARG A 73 -1.237 13.638 5.725 1.00 51.52 N ATOM 1149 CZ ARG A 73 -2.031 14.364 6.470 1.00 14.43 C ATOM 1150 NH1 ARG A 73 -1.551 15.153 7.376 1.00 64.41 N ATOM 1151 NH2 ARG A 73 -3.311 14.297 6.313 1.00 3.24 N ATOM 0 H ARG A 73 0.273 13.934 0.938 1.00 52.52 H new ATOM 0 HA ARG A 73 2.572 13.610 2.613 1.00 35.20 H new ATOM 0 HB2 ARG A 73 0.388 14.446 3.410 1.00 13.02 H new ATOM 0 HB3 ARG A 73 -0.357 12.907 3.027 1.00 13.02 H new ATOM 0 HG2 ARG A 73 0.647 11.804 4.823 1.00 10.32 H new ATOM 0 HG3 ARG A 73 2.003 12.912 4.893 1.00 10.32 H new ATOM 0 HD2 ARG A 73 0.499 13.228 6.817 1.00 53.41 H new ATOM 0 HD3 ARG A 73 0.577 14.674 5.831 1.00 53.41 H new ATOM 0 HE ARG A 73 -1.658 13.034 5.019 1.00 51.52 H new ATOM 0 HH11 ARG A 73 -0.543 15.215 7.516 1.00 64.41 H new ATOM 0 HH12 ARG A 73 -2.181 15.713 7.950 1.00 64.41 H new ATOM 0 HH21 ARG A 73 -3.706 13.677 5.606 1.00 3.24 H new ATOM 0 HH22 ARG A 73 -3.927 14.864 6.896 1.00 3.24 H new ATOM 1165 N GLN A 74 1.124 10.858 1.477 1.00 1.42 N ATOM 1166 CA GLN A 74 1.427 9.452 1.207 1.00 53.43 C ATOM 1167 C GLN A 74 2.687 9.345 0.339 1.00 12.24 C ATOM 1168 O GLN A 74 3.538 8.479 0.555 1.00 0.20 O ATOM 1169 CB GLN A 74 0.250 8.741 0.517 1.00 72.41 C ATOM 1170 CG GLN A 74 0.477 7.236 0.362 1.00 32.33 C ATOM 1171 CD GLN A 74 -0.690 6.488 -0.268 1.00 63.43 C ATOM 1172 OE1 GLN A 74 -1.843 6.890 -0.166 1.00 41.15 O ATOM 1173 NE2 GLN A 74 -0.397 5.368 -0.901 1.00 2.33 N ATOM 0 H GLN A 74 0.238 11.189 1.095 1.00 1.42 H new ATOM 0 HA GLN A 74 1.600 8.958 2.163 1.00 53.43 H new ATOM 0 HB2 GLN A 74 -0.659 8.909 1.094 1.00 72.41 H new ATOM 0 HB3 GLN A 74 0.090 9.183 -0.466 1.00 72.41 H new ATOM 0 HG2 GLN A 74 1.367 7.075 -0.246 1.00 32.33 H new ATOM 0 HG3 GLN A 74 0.680 6.808 1.344 1.00 32.33 H new ATOM 0 HE21 GLN A 74 0.573 5.059 -0.969 1.00 2.33 H new ATOM 0 HE22 GLN A 74 -1.140 4.811 -1.322 1.00 2.33 H new ATOM 1182 N LYS A 75 2.809 10.258 -0.625 1.00 34.53 N ATOM 1183 CA LYS A 75 3.959 10.279 -1.530 1.00 0.20 C ATOM 1184 C LYS A 75 5.273 10.579 -0.781 1.00 33.11 C ATOM 1185 O LYS A 75 6.280 9.924 -1.024 1.00 40.50 O ATOM 1186 CB LYS A 75 3.741 11.297 -2.661 1.00 63.13 C ATOM 1187 CG LYS A 75 4.770 11.184 -3.787 1.00 74.24 C ATOM 1188 CD LYS A 75 4.397 12.026 -5.006 1.00 51.23 C ATOM 1189 CE LYS A 75 4.546 13.517 -4.744 1.00 63.14 C ATOM 1190 NZ LYS A 75 5.971 13.919 -4.589 1.00 33.13 N ATOM 0 H LYS A 75 2.125 10.994 -0.800 1.00 34.53 H new ATOM 0 HA LYS A 75 4.048 9.284 -1.965 1.00 0.20 H new ATOM 0 HB2 LYS A 75 2.743 11.159 -3.076 1.00 63.13 H new ATOM 0 HB3 LYS A 75 3.777 12.304 -2.245 1.00 63.13 H new ATOM 0 HG2 LYS A 75 5.746 11.499 -3.416 1.00 74.24 H new ATOM 0 HG3 LYS A 75 4.864 10.140 -4.085 1.00 74.24 H new ATOM 0 HD2 LYS A 75 5.028 11.742 -5.848 1.00 51.23 H new ATOM 0 HD3 LYS A 75 3.368 11.811 -5.293 1.00 51.23 H new ATOM 0 HE2 LYS A 75 4.100 14.076 -5.567 1.00 63.14 H new ATOM 0 HE3 LYS A 75 3.995 13.783 -3.842 1.00 63.14 H new ATOM 0 HZ1 LYS A 75 6.032 14.953 -4.497 1.00 33.13 H new ATOM 0 HZ2 LYS A 75 6.367 13.471 -3.738 1.00 33.13 H new ATOM 0 HZ3 LYS A 75 6.511 13.614 -5.424 1.00 33.13 H new ATOM 1204 N GLN A 76 5.259 11.548 0.145 1.00 1.32 N ATOM 1205 CA GLN A 76 6.475 11.897 0.902 1.00 33.42 C ATOM 1206 C GLN A 76 6.974 10.697 1.720 1.00 32.40 C ATOM 1207 O GLN A 76 8.182 10.497 1.878 1.00 62.04 O ATOM 1208 CB GLN A 76 6.244 13.109 1.828 1.00 61.15 C ATOM 1209 CG GLN A 76 5.316 12.841 3.008 1.00 44.13 C ATOM 1210 CD GLN A 76 5.173 14.028 3.950 1.00 31.44 C ATOM 1211 OE1 GLN A 76 4.985 13.860 5.151 1.00 55.35 O ATOM 1212 NE2 GLN A 76 5.248 15.234 3.420 1.00 62.42 N ATOM 0 H GLN A 76 4.435 12.098 0.387 1.00 1.32 H new ATOM 0 HA GLN A 76 7.239 12.170 0.174 1.00 33.42 H new ATOM 0 HB2 GLN A 76 7.208 13.446 2.210 1.00 61.15 H new ATOM 0 HB3 GLN A 76 5.832 13.927 1.237 1.00 61.15 H new ATOM 0 HG2 GLN A 76 4.331 12.566 2.630 1.00 44.13 H new ATOM 0 HG3 GLN A 76 5.692 11.985 3.569 1.00 44.13 H new ATOM 0 HE21 GLN A 76 5.405 15.342 2.418 1.00 62.42 H new ATOM 0 HE22 GLN A 76 5.149 16.058 4.012 1.00 62.42 H new ATOM 1221 N LYS A 77 6.034 9.905 2.242 1.00 61.04 N ATOM 1222 CA LYS A 77 6.378 8.669 2.953 1.00 2.22 C ATOM 1223 C LYS A 77 7.044 7.659 2.003 1.00 71.00 C ATOM 1224 O LYS A 77 8.084 7.083 2.320 1.00 54.42 O ATOM 1225 CB LYS A 77 5.121 8.059 3.589 1.00 64.11 C ATOM 1226 CG LYS A 77 4.443 8.971 4.607 1.00 44.21 C ATOM 1227 CD LYS A 77 5.359 9.284 5.786 1.00 72.21 C ATOM 1228 CE LYS A 77 4.724 10.286 6.741 1.00 15.14 C ATOM 1229 NZ LYS A 77 5.590 10.556 7.918 1.00 5.33 N ATOM 0 H LYS A 77 5.033 10.095 2.187 1.00 61.04 H new ATOM 0 HA LYS A 77 7.090 8.911 3.742 1.00 2.22 H new ATOM 0 HB2 LYS A 77 4.408 7.815 2.801 1.00 64.11 H new ATOM 0 HB3 LYS A 77 5.390 7.122 4.077 1.00 64.11 H new ATOM 0 HG2 LYS A 77 4.146 9.900 4.121 1.00 44.21 H new ATOM 0 HG3 LYS A 77 3.532 8.496 4.971 1.00 44.21 H new ATOM 0 HD2 LYS A 77 5.588 8.364 6.323 1.00 72.21 H new ATOM 0 HD3 LYS A 77 6.304 9.682 5.417 1.00 72.21 H new ATOM 0 HE2 LYS A 77 4.530 11.219 6.212 1.00 15.14 H new ATOM 0 HE3 LYS A 77 3.760 9.905 7.079 1.00 15.14 H new ATOM 0 HZ1 LYS A 77 5.122 11.243 8.543 1.00 5.33 H new ATOM 0 HZ2 LYS A 77 5.755 9.671 8.438 1.00 5.33 H new ATOM 0 HZ3 LYS A 77 6.500 10.944 7.598 1.00 5.33 H new ATOM 1243 N LEU A 78 6.440 7.467 0.833 1.00 74.22 N ATOM 1244 CA LEU A 78 6.996 6.588 -0.203 1.00 31.32 C ATOM 1245 C LEU A 78 8.406 7.038 -0.623 1.00 52.32 C ATOM 1246 O LEU A 78 9.341 6.236 -0.695 1.00 20.22 O ATOM 1247 CB LEU A 78 6.068 6.588 -1.424 1.00 61.20 C ATOM 1248 CG LEU A 78 4.648 6.053 -1.170 1.00 64.30 C ATOM 1249 CD1 LEU A 78 3.722 6.410 -2.328 1.00 64.14 C ATOM 1250 CD2 LEU A 78 4.675 4.542 -0.950 1.00 63.11 C ATOM 0 H LEU A 78 5.559 7.910 0.574 1.00 74.22 H new ATOM 0 HA LEU A 78 7.072 5.581 0.208 1.00 31.32 H new ATOM 0 HB2 LEU A 78 5.992 7.607 -1.802 1.00 61.20 H new ATOM 0 HB3 LEU A 78 6.529 5.990 -2.210 1.00 61.20 H new ATOM 0 HG LEU A 78 4.262 6.525 -0.266 1.00 64.30 H new ATOM 0 HD11 LEU A 78 2.723 6.022 -2.128 1.00 64.14 H new ATOM 0 HD12 LEU A 78 3.676 7.494 -2.436 1.00 64.14 H new ATOM 0 HD13 LEU A 78 4.104 5.970 -3.249 1.00 64.14 H new ATOM 0 HD21 LEU A 78 3.662 4.182 -0.772 1.00 63.11 H new ATOM 0 HD22 LEU A 78 5.084 4.053 -1.834 1.00 63.11 H new ATOM 0 HD23 LEU A 78 5.299 4.311 -0.087 1.00 63.11 H new ATOM 1262 N GLU A 79 8.547 8.333 -0.890 1.00 44.32 N ATOM 1263 CA GLU A 79 9.826 8.916 -1.302 1.00 63.31 C ATOM 1264 C GLU A 79 10.895 8.775 -0.207 1.00 71.22 C ATOM 1265 O GLU A 79 12.090 8.717 -0.502 1.00 64.23 O ATOM 1266 CB GLU A 79 9.628 10.389 -1.676 1.00 22.51 C ATOM 1267 CG GLU A 79 8.676 10.592 -2.853 1.00 60.51 C ATOM 1268 CD GLU A 79 8.440 12.058 -3.178 1.00 51.54 C ATOM 1269 OE1 GLU A 79 7.503 12.659 -2.609 1.00 22.13 O ATOM 1270 OE2 GLU A 79 9.186 12.615 -4.009 1.00 45.34 O ATOM 0 H GLU A 79 7.784 9.007 -0.828 1.00 44.32 H new ATOM 0 HA GLU A 79 10.183 8.368 -2.174 1.00 63.31 H new ATOM 0 HB2 GLU A 79 9.244 10.928 -0.810 1.00 22.51 H new ATOM 0 HB3 GLU A 79 10.595 10.828 -1.921 1.00 22.51 H new ATOM 0 HG2 GLU A 79 9.081 10.091 -3.732 1.00 60.51 H new ATOM 0 HG3 GLU A 79 7.721 10.117 -2.627 1.00 60.51 H new ATOM 1277 N ALA A 80 10.463 8.708 1.055 1.00 22.22 N ATOM 1278 CA ALA A 80 11.381 8.454 2.171 1.00 2.12 C ATOM 1279 C ALA A 80 12.087 7.100 2.001 1.00 5.13 C ATOM 1280 O ALA A 80 13.256 6.939 2.366 1.00 72.54 O ATOM 1281 CB ALA A 80 10.632 8.501 3.498 1.00 11.21 C ATOM 0 H ALA A 80 9.488 8.825 1.330 1.00 22.22 H new ATOM 0 HA ALA A 80 12.140 9.236 2.172 1.00 2.12 H new ATOM 0 HB1 ALA A 80 11.328 8.311 4.315 1.00 11.21 H new ATOM 0 HB2 ALA A 80 10.181 9.485 3.627 1.00 11.21 H new ATOM 0 HB3 ALA A 80 9.851 7.741 3.502 1.00 11.21 H new ATOM 1287 N GLU A 81 11.369 6.131 1.429 1.00 62.11 N ATOM 1288 CA GLU A 81 11.939 4.814 1.122 1.00 73.51 C ATOM 1289 C GLU A 81 12.490 4.752 -0.316 1.00 54.53 C ATOM 1290 O GLU A 81 12.848 3.683 -0.811 1.00 44.42 O ATOM 1291 CB GLU A 81 10.889 3.713 1.341 1.00 23.14 C ATOM 1292 CG GLU A 81 10.485 3.534 2.805 1.00 43.15 C ATOM 1293 CD GLU A 81 9.540 2.362 3.031 1.00 53.42 C ATOM 1294 OE1 GLU A 81 9.686 1.333 2.345 1.00 40.44 O ATOM 1295 OE2 GLU A 81 8.657 2.461 3.911 1.00 13.44 O ATOM 0 H GLU A 81 10.388 6.233 1.168 1.00 62.11 H new ATOM 0 HA GLU A 81 12.775 4.649 1.802 1.00 73.51 H new ATOM 0 HB2 GLU A 81 10.001 3.948 0.754 1.00 23.14 H new ATOM 0 HB3 GLU A 81 11.281 2.769 0.963 1.00 23.14 H new ATOM 0 HG2 GLU A 81 11.382 3.389 3.407 1.00 43.15 H new ATOM 0 HG3 GLU A 81 10.009 4.449 3.157 1.00 43.15 H new ATOM 1302 N GLY A 82 12.571 5.910 -0.973 1.00 14.35 N ATOM 1303 CA GLY A 82 13.153 5.985 -2.311 1.00 55.25 C ATOM 1304 C GLY A 82 12.208 5.545 -3.429 1.00 62.33 C ATOM 1305 O GLY A 82 12.651 5.254 -4.543 1.00 63.55 O ATOM 0 H GLY A 82 12.243 6.802 -0.603 1.00 14.35 H new ATOM 0 HA2 GLY A 82 13.470 7.011 -2.501 1.00 55.25 H new ATOM 0 HA3 GLY A 82 14.048 5.364 -2.341 1.00 55.25 H new ATOM 1309 N ILE A 83 10.910 5.509 -3.146 1.00 50.44 N ATOM 1310 CA ILE A 83 9.909 5.106 -4.140 1.00 21.11 C ATOM 1311 C ILE A 83 9.504 6.286 -5.041 1.00 50.11 C ATOM 1312 O ILE A 83 8.996 7.302 -4.560 1.00 11.44 O ATOM 1313 CB ILE A 83 8.649 4.528 -3.445 1.00 1.21 C ATOM 1314 CG1 ILE A 83 9.047 3.352 -2.538 1.00 34.23 C ATOM 1315 CG2 ILE A 83 7.599 4.096 -4.475 1.00 42.33 C ATOM 1316 CD1 ILE A 83 7.913 2.807 -1.696 1.00 22.24 C ATOM 0 H ILE A 83 10.521 5.754 -2.235 1.00 50.44 H new ATOM 0 HA ILE A 83 10.363 4.335 -4.763 1.00 21.11 H new ATOM 0 HB ILE A 83 8.201 5.309 -2.831 1.00 1.21 H new ATOM 0 HG12 ILE A 83 9.444 2.548 -3.158 1.00 34.23 H new ATOM 0 HG13 ILE A 83 9.853 3.673 -1.878 1.00 34.23 H new ATOM 0 HG21 ILE A 83 6.727 3.695 -3.959 1.00 42.33 H new ATOM 0 HG22 ILE A 83 7.302 4.956 -5.075 1.00 42.33 H new ATOM 0 HG23 ILE A 83 8.021 3.329 -5.125 1.00 42.33 H new ATOM 0 HD11 ILE A 83 8.277 1.981 -1.086 1.00 22.24 H new ATOM 0 HD12 ILE A 83 7.530 3.595 -1.048 1.00 22.24 H new ATOM 0 HD13 ILE A 83 7.114 2.452 -2.347 1.00 22.24 H new ATOM 1328 N GLU A 84 9.743 6.150 -6.345 1.00 61.52 N ATOM 1329 CA GLU A 84 9.378 7.193 -7.311 1.00 32.23 C ATOM 1330 C GLU A 84 7.876 7.163 -7.639 1.00 51.22 C ATOM 1331 O GLU A 84 7.329 6.123 -8.014 1.00 44.10 O ATOM 1332 CB GLU A 84 10.187 7.032 -8.607 1.00 4.32 C ATOM 1333 CG GLU A 84 9.856 8.074 -9.670 1.00 20.40 C ATOM 1334 CD GLU A 84 10.610 7.854 -10.971 1.00 32.14 C ATOM 1335 OE1 GLU A 84 11.771 8.302 -11.071 1.00 41.14 O ATOM 1336 OE2 GLU A 84 10.038 7.241 -11.899 1.00 11.33 O ATOM 0 H GLU A 84 10.187 5.330 -6.759 1.00 61.52 H new ATOM 0 HA GLU A 84 9.610 8.154 -6.852 1.00 32.23 H new ATOM 0 HB2 GLU A 84 11.250 7.091 -8.371 1.00 4.32 H new ATOM 0 HB3 GLU A 84 10.006 6.038 -9.016 1.00 4.32 H new ATOM 0 HG2 GLU A 84 8.785 8.054 -9.869 1.00 20.40 H new ATOM 0 HG3 GLU A 84 10.090 9.066 -9.284 1.00 20.40 H new ATOM 1343 N VAL A 85 7.219 8.313 -7.497 1.00 64.44 N ATOM 1344 CA VAL A 85 5.801 8.451 -7.850 1.00 62.13 C ATOM 1345 C VAL A 85 5.623 9.427 -9.025 1.00 1.44 C ATOM 1346 O VAL A 85 6.138 10.547 -8.999 1.00 41.55 O ATOM 1347 CB VAL A 85 4.957 8.938 -6.644 1.00 12.22 C ATOM 1348 CG1 VAL A 85 3.474 8.995 -7.009 1.00 62.43 C ATOM 1349 CG2 VAL A 85 5.183 8.033 -5.434 1.00 11.24 C ATOM 0 H VAL A 85 7.645 9.168 -7.139 1.00 64.44 H new ATOM 0 HA VAL A 85 5.447 7.463 -8.144 1.00 62.13 H new ATOM 0 HB VAL A 85 5.280 9.946 -6.383 1.00 12.22 H new ATOM 0 HG11 VAL A 85 2.900 9.339 -6.148 1.00 62.43 H new ATOM 0 HG12 VAL A 85 3.330 9.685 -7.840 1.00 62.43 H new ATOM 0 HG13 VAL A 85 3.132 8.001 -7.299 1.00 62.43 H new ATOM 0 HG21 VAL A 85 4.583 8.389 -4.596 1.00 11.24 H new ATOM 0 HG22 VAL A 85 4.890 7.013 -5.683 1.00 11.24 H new ATOM 0 HG23 VAL A 85 6.237 8.050 -5.158 1.00 11.24 H new ATOM 1359 N SER A 86 4.904 8.992 -10.057 1.00 24.41 N ATOM 1360 CA SER A 86 4.683 9.812 -11.258 1.00 64.21 C ATOM 1361 C SER A 86 3.683 10.953 -11.000 1.00 74.15 C ATOM 1362 O SER A 86 2.937 10.929 -10.016 1.00 51.13 O ATOM 1363 CB SER A 86 4.203 8.935 -12.420 1.00 53.24 C ATOM 1364 OG SER A 86 4.156 9.668 -13.635 1.00 12.34 O ATOM 0 H SER A 86 4.461 8.074 -10.091 1.00 24.41 H new ATOM 0 HA SER A 86 5.637 10.268 -11.523 1.00 64.21 H new ATOM 0 HB2 SER A 86 4.871 8.081 -12.534 1.00 53.24 H new ATOM 0 HB3 SER A 86 3.213 8.538 -12.194 1.00 53.24 H new ATOM 0 HG SER A 86 3.848 9.083 -14.358 1.00 12.34 H new ATOM 1370 N GLU A 87 3.643 11.922 -11.923 1.00 14.32 N ATOM 1371 CA GLU A 87 2.956 13.210 -11.703 1.00 3.23 C ATOM 1372 C GLU A 87 1.497 13.062 -11.225 1.00 3.25 C ATOM 1373 O GLU A 87 1.077 13.751 -10.289 1.00 64.15 O ATOM 1374 CB GLU A 87 3.012 14.082 -12.976 1.00 51.21 C ATOM 1375 CG GLU A 87 2.127 13.610 -14.134 1.00 13.31 C ATOM 1376 CD GLU A 87 2.520 12.248 -14.684 1.00 53.54 C ATOM 1377 OE1 GLU A 87 3.607 12.138 -15.288 1.00 74.03 O ATOM 1378 OE2 GLU A 87 1.734 11.288 -14.535 1.00 14.23 O ATOM 0 H GLU A 87 4.082 11.841 -12.840 1.00 14.32 H new ATOM 0 HA GLU A 87 3.497 13.702 -10.895 1.00 3.23 H new ATOM 0 HB2 GLU A 87 2.724 15.100 -12.712 1.00 51.21 H new ATOM 0 HB3 GLU A 87 4.044 14.123 -13.323 1.00 51.21 H new ATOM 0 HG2 GLU A 87 1.091 13.571 -13.796 1.00 13.31 H new ATOM 0 HG3 GLU A 87 2.173 14.344 -14.938 1.00 13.31 H new ATOM 1385 N ILE A 88 0.732 12.165 -11.846 1.00 23.34 N ATOM 1386 CA ILE A 88 -0.686 11.979 -11.491 1.00 42.45 C ATOM 1387 C ILE A 88 -0.864 11.128 -10.218 1.00 4.12 C ATOM 1388 O ILE A 88 -1.954 10.613 -9.949 1.00 14.40 O ATOM 1389 CB ILE A 88 -1.476 11.319 -12.654 1.00 64.41 C ATOM 1390 CG1 ILE A 88 -0.900 9.932 -12.992 1.00 44.34 C ATOM 1391 CG2 ILE A 88 -1.472 12.227 -13.887 1.00 42.15 C ATOM 1392 CD1 ILE A 88 -1.680 9.185 -14.054 1.00 35.41 C ATOM 0 H ILE A 88 1.062 11.556 -12.594 1.00 23.34 H new ATOM 0 HA ILE A 88 -1.082 12.976 -11.299 1.00 42.45 H new ATOM 0 HB ILE A 88 -2.508 11.183 -12.332 1.00 64.41 H new ATOM 0 HG12 ILE A 88 0.130 10.049 -13.327 1.00 44.34 H new ATOM 0 HG13 ILE A 88 -0.873 9.330 -12.084 1.00 44.34 H new ATOM 0 HG21 ILE A 88 -2.030 11.749 -14.692 1.00 42.15 H new ATOM 0 HG22 ILE A 88 -1.938 13.180 -13.638 1.00 42.15 H new ATOM 0 HG23 ILE A 88 -0.445 12.399 -14.209 1.00 42.15 H new ATOM 0 HD11 ILE A 88 -1.212 8.218 -14.236 1.00 35.41 H new ATOM 0 HD12 ILE A 88 -2.705 9.034 -13.714 1.00 35.41 H new ATOM 0 HD13 ILE A 88 -1.685 9.765 -14.977 1.00 35.41 H new ATOM 1404 N GLY A 89 0.198 11.005 -9.423 1.00 13.31 N ATOM 1405 CA GLY A 89 0.149 10.175 -8.224 1.00 51.02 C ATOM 1406 C GLY A 89 0.213 8.689 -8.551 1.00 10.14 C ATOM 1407 O GLY A 89 -0.430 7.867 -7.899 1.00 11.22 O ATOM 0 H GLY A 89 1.094 11.465 -9.586 1.00 13.31 H new ATOM 0 HA2 GLY A 89 0.979 10.437 -7.568 1.00 51.02 H new ATOM 0 HA3 GLY A 89 -0.769 10.386 -7.676 1.00 51.02 H new ATOM 1411 N LYS A 90 1.008 8.348 -9.559 1.00 72.30 N ATOM 1412 CA LYS A 90 1.074 6.973 -10.076 1.00 61.14 C ATOM 1413 C LYS A 90 2.324 6.227 -9.587 1.00 61.12 C ATOM 1414 O LYS A 90 3.438 6.722 -9.711 1.00 71.34 O ATOM 1415 CB LYS A 90 1.067 6.999 -11.610 1.00 21.23 C ATOM 1416 CG LYS A 90 1.254 5.627 -12.251 1.00 53.44 C ATOM 1417 CD LYS A 90 1.425 5.729 -13.761 1.00 3.21 C ATOM 1418 CE LYS A 90 1.678 4.369 -14.396 1.00 1.33 C ATOM 1419 NZ LYS A 90 1.910 4.474 -15.861 1.00 61.31 N ATOM 0 H LYS A 90 1.622 9.004 -10.041 1.00 72.30 H new ATOM 0 HA LYS A 90 0.201 6.440 -9.699 1.00 61.14 H new ATOM 0 HB2 LYS A 90 0.123 7.424 -11.952 1.00 21.23 H new ATOM 0 HB3 LYS A 90 1.860 7.662 -11.956 1.00 21.23 H new ATOM 0 HG2 LYS A 90 2.127 5.139 -11.818 1.00 53.44 H new ATOM 0 HG3 LYS A 90 0.393 4.999 -12.024 1.00 53.44 H new ATOM 0 HD2 LYS A 90 0.531 6.173 -14.199 1.00 3.21 H new ATOM 0 HD3 LYS A 90 2.256 6.396 -13.988 1.00 3.21 H new ATOM 0 HE2 LYS A 90 2.543 3.904 -13.924 1.00 1.33 H new ATOM 0 HE3 LYS A 90 0.824 3.717 -14.210 1.00 1.33 H new ATOM 0 HZ1 LYS A 90 2.078 3.526 -16.255 1.00 61.31 H new ATOM 0 HZ2 LYS A 90 1.074 4.894 -16.316 1.00 61.31 H new ATOM 0 HZ3 LYS A 90 2.740 5.075 -16.039 1.00 61.31 H new ATOM 1433 N ILE A 91 2.129 5.026 -9.058 1.00 61.21 N ATOM 1434 CA ILE A 91 3.245 4.173 -8.632 1.00 74.42 C ATOM 1435 C ILE A 91 3.400 2.971 -9.577 1.00 20.21 C ATOM 1436 O ILE A 91 2.508 2.125 -9.676 1.00 31.34 O ATOM 1437 CB ILE A 91 3.046 3.652 -7.187 1.00 21.13 C ATOM 1438 CG1 ILE A 91 2.817 4.823 -6.216 1.00 22.03 C ATOM 1439 CG2 ILE A 91 4.250 2.816 -6.747 1.00 52.04 C ATOM 1440 CD1 ILE A 91 2.538 4.389 -4.795 1.00 45.35 C ATOM 0 H ILE A 91 1.207 4.614 -8.911 1.00 61.21 H new ATOM 0 HA ILE A 91 4.145 4.787 -8.664 1.00 74.42 H new ATOM 0 HB ILE A 91 2.161 3.016 -7.171 1.00 21.13 H new ATOM 0 HG12 ILE A 91 3.696 5.467 -6.224 1.00 22.03 H new ATOM 0 HG13 ILE A 91 1.980 5.422 -6.574 1.00 22.03 H new ATOM 0 HG21 ILE A 91 4.092 2.459 -5.729 1.00 52.04 H new ATOM 0 HG22 ILE A 91 4.366 1.964 -7.417 1.00 52.04 H new ATOM 0 HG23 ILE A 91 5.151 3.429 -6.781 1.00 52.04 H new ATOM 0 HD11 ILE A 91 2.387 5.268 -4.169 1.00 45.35 H new ATOM 0 HD12 ILE A 91 1.641 3.770 -4.773 1.00 45.35 H new ATOM 0 HD13 ILE A 91 3.384 3.815 -4.417 1.00 45.35 H new ATOM 1452 N ALA A 92 4.534 2.898 -10.272 1.00 72.40 N ATOM 1453 CA ALA A 92 4.779 1.816 -11.231 1.00 51.40 C ATOM 1454 C ALA A 92 4.963 0.456 -10.526 1.00 55.22 C ATOM 1455 O ALA A 92 6.072 0.087 -10.122 1.00 3.32 O ATOM 1456 CB ALA A 92 5.990 2.146 -12.098 1.00 63.20 C ATOM 0 H ALA A 92 5.296 3.571 -10.191 1.00 72.40 H new ATOM 0 HA ALA A 92 3.900 1.730 -11.870 1.00 51.40 H new ATOM 0 HB1 ALA A 92 6.162 1.335 -12.806 1.00 63.20 H new ATOM 0 HB2 ALA A 92 5.806 3.071 -12.644 1.00 63.20 H new ATOM 0 HB3 ALA A 92 6.869 2.267 -11.465 1.00 63.20 H new ATOM 1462 N LEU A 93 3.863 -0.284 -10.388 1.00 73.42 N ATOM 1463 CA LEU A 93 3.876 -1.613 -9.758 1.00 11.23 C ATOM 1464 C LEU A 93 4.867 -2.566 -10.444 1.00 41.44 C ATOM 1465 O LEU A 93 5.498 -3.395 -9.794 1.00 72.12 O ATOM 1466 CB LEU A 93 2.465 -2.220 -9.790 1.00 72.25 C ATOM 1467 CG LEU A 93 1.421 -1.497 -8.924 1.00 11.25 C ATOM 1468 CD1 LEU A 93 0.027 -2.076 -9.158 1.00 11.33 C ATOM 1469 CD2 LEU A 93 1.801 -1.582 -7.446 1.00 53.21 C ATOM 0 H LEU A 93 2.941 0.014 -10.706 1.00 73.42 H new ATOM 0 HA LEU A 93 4.201 -1.484 -8.726 1.00 11.23 H new ATOM 0 HB2 LEU A 93 2.114 -2.229 -10.822 1.00 72.25 H new ATOM 0 HB3 LEU A 93 2.526 -3.259 -9.465 1.00 72.25 H new ATOM 0 HG LEU A 93 1.403 -0.447 -9.215 1.00 11.25 H new ATOM 0 HD11 LEU A 93 -0.695 -1.549 -8.535 1.00 11.33 H new ATOM 0 HD12 LEU A 93 -0.245 -1.958 -10.207 1.00 11.33 H new ATOM 0 HD13 LEU A 93 0.025 -3.135 -8.900 1.00 11.33 H new ATOM 0 HD21 LEU A 93 1.051 -1.065 -6.847 1.00 53.21 H new ATOM 0 HD22 LEU A 93 1.850 -2.628 -7.142 1.00 53.21 H new ATOM 0 HD23 LEU A 93 2.773 -1.114 -7.293 1.00 53.21 H new ATOM 1481 N ARG A 94 5.014 -2.425 -11.756 1.00 10.15 N ATOM 1482 CA ARG A 94 5.888 -3.306 -12.541 1.00 72.05 C ATOM 1483 C ARG A 94 7.330 -3.317 -11.999 1.00 61.31 C ATOM 1484 O ARG A 94 8.017 -4.339 -12.048 1.00 74.44 O ATOM 1485 CB ARG A 94 5.889 -2.868 -14.012 1.00 23.30 C ATOM 1486 CG ARG A 94 4.492 -2.646 -14.591 1.00 3.33 C ATOM 1487 CD ARG A 94 4.543 -2.282 -16.072 1.00 73.21 C ATOM 1488 NE ARG A 94 5.025 -3.394 -16.890 1.00 51.34 N ATOM 1489 CZ ARG A 94 5.480 -3.278 -18.108 1.00 1.53 C ATOM 1490 NH1 ARG A 94 5.569 -2.118 -18.679 1.00 23.22 N ATOM 1491 NH2 ARG A 94 5.860 -4.333 -18.747 1.00 21.21 N ATOM 0 H ARG A 94 4.540 -1.708 -12.305 1.00 10.15 H new ATOM 0 HA ARG A 94 5.494 -4.319 -12.458 1.00 72.05 H new ATOM 0 HB2 ARG A 94 6.462 -1.945 -14.106 1.00 23.30 H new ATOM 0 HB3 ARG A 94 6.402 -3.624 -14.606 1.00 23.30 H new ATOM 0 HG2 ARG A 94 3.896 -3.549 -14.459 1.00 3.33 H new ATOM 0 HG3 ARG A 94 3.992 -1.851 -14.038 1.00 3.33 H new ATOM 0 HD2 ARG A 94 3.549 -1.988 -16.408 1.00 73.21 H new ATOM 0 HD3 ARG A 94 5.194 -1.419 -16.212 1.00 73.21 H new ATOM 0 HE ARG A 94 5.004 -4.327 -16.479 1.00 51.34 H new ATOM 0 HH11 ARG A 94 5.281 -1.279 -18.176 1.00 23.22 H new ATOM 0 HH12 ARG A 94 5.927 -2.044 -19.631 1.00 23.22 H new ATOM 0 HH21 ARG A 94 5.803 -5.248 -18.300 1.00 21.21 H new ATOM 0 HH22 ARG A 94 6.217 -4.252 -19.699 1.00 21.21 H new ATOM 1505 N LYS A 95 7.779 -2.173 -11.477 1.00 12.42 N ATOM 1506 CA LYS A 95 9.158 -2.024 -10.985 1.00 23.13 C ATOM 1507 C LYS A 95 9.228 -1.814 -9.457 1.00 75.54 C ATOM 1508 O LYS A 95 10.320 -1.721 -8.893 1.00 13.51 O ATOM 1509 CB LYS A 95 9.845 -0.862 -11.725 1.00 34.35 C ATOM 1510 CG LYS A 95 9.110 0.470 -11.605 1.00 64.30 C ATOM 1511 CD LYS A 95 9.625 1.511 -12.599 1.00 4.34 C ATOM 1512 CE LYS A 95 11.060 1.942 -12.310 1.00 34.53 C ATOM 1513 NZ LYS A 95 11.181 2.656 -11.011 1.00 53.30 N ATOM 0 H LYS A 95 7.209 -1.332 -11.382 1.00 12.42 H new ATOM 0 HA LYS A 95 9.684 -2.956 -11.191 1.00 23.13 H new ATOM 0 HB2 LYS A 95 10.856 -0.744 -11.336 1.00 34.35 H new ATOM 0 HB3 LYS A 95 9.938 -1.121 -12.780 1.00 34.35 H new ATOM 0 HG2 LYS A 95 8.044 0.310 -11.770 1.00 64.30 H new ATOM 0 HG3 LYS A 95 9.222 0.853 -10.591 1.00 64.30 H new ATOM 0 HD2 LYS A 95 9.569 1.103 -13.608 1.00 4.34 H new ATOM 0 HD3 LYS A 95 8.975 2.386 -12.572 1.00 4.34 H new ATOM 0 HE2 LYS A 95 11.707 1.064 -12.302 1.00 34.53 H new ATOM 0 HE3 LYS A 95 11.412 2.590 -13.113 1.00 34.53 H new ATOM 0 HZ1 LYS A 95 11.417 3.654 -11.184 1.00 53.30 H new ATOM 0 HZ2 LYS A 95 10.279 2.598 -10.497 1.00 53.30 H new ATOM 0 HZ3 LYS A 95 11.932 2.216 -10.442 1.00 53.30 H new ATOM 1527 N TYR A 96 8.070 -1.719 -8.789 1.00 14.15 N ATOM 1528 CA TYR A 96 8.038 -1.529 -7.322 1.00 13.32 C ATOM 1529 C TYR A 96 7.203 -2.584 -6.566 1.00 14.25 C ATOM 1530 O TYR A 96 7.114 -2.520 -5.338 1.00 21.11 O ATOM 1531 CB TYR A 96 7.496 -0.136 -6.974 1.00 60.03 C ATOM 1532 CG TYR A 96 8.477 0.990 -7.227 1.00 22.01 C ATOM 1533 CD1 TYR A 96 9.502 1.253 -6.323 1.00 72.42 C ATOM 1534 CD2 TYR A 96 8.378 1.789 -8.360 1.00 2.44 C ATOM 1535 CE1 TYR A 96 10.399 2.281 -6.539 1.00 23.43 C ATOM 1536 CE2 TYR A 96 9.273 2.818 -8.583 1.00 44.00 C ATOM 1537 CZ TYR A 96 10.280 3.060 -7.671 1.00 21.03 C ATOM 1538 OH TYR A 96 11.171 4.085 -7.891 1.00 50.14 O ATOM 0 H TYR A 96 7.151 -1.769 -9.229 1.00 14.15 H new ATOM 0 HA TYR A 96 9.072 -1.642 -6.996 1.00 13.32 H new ATOM 0 HB2 TYR A 96 6.592 0.046 -7.556 1.00 60.03 H new ATOM 0 HB3 TYR A 96 7.207 -0.122 -5.923 1.00 60.03 H new ATOM 0 HD1 TYR A 96 9.598 0.643 -5.437 1.00 72.42 H new ATOM 0 HD2 TYR A 96 7.591 1.603 -9.076 1.00 2.44 H new ATOM 0 HE1 TYR A 96 11.188 2.473 -5.827 1.00 23.43 H new ATOM 0 HE2 TYR A 96 9.185 3.431 -9.468 1.00 44.00 H new ATOM 0 HH TYR A 96 11.285 4.218 -8.855 1.00 50.14 H new ATOM 1548 N LYS A 97 6.597 -3.545 -7.266 1.00 31.53 N ATOM 1549 CA LYS A 97 5.701 -4.505 -6.596 1.00 72.33 C ATOM 1550 C LYS A 97 6.463 -5.416 -5.612 1.00 55.30 C ATOM 1551 O LYS A 97 7.526 -5.964 -5.930 1.00 21.42 O ATOM 1552 CB LYS A 97 4.916 -5.351 -7.617 1.00 22.40 C ATOM 1553 CG LYS A 97 5.733 -6.436 -8.320 1.00 54.52 C ATOM 1554 CD LYS A 97 4.896 -7.188 -9.359 1.00 4.32 C ATOM 1555 CE LYS A 97 5.544 -8.505 -9.774 1.00 2.41 C ATOM 1556 NZ LYS A 97 5.534 -9.500 -8.666 1.00 43.41 N ATOM 0 H LYS A 97 6.702 -3.683 -8.271 1.00 31.53 H new ATOM 0 HA LYS A 97 4.988 -3.917 -6.019 1.00 72.33 H new ATOM 0 HB2 LYS A 97 4.076 -5.823 -7.107 1.00 22.40 H new ATOM 0 HB3 LYS A 97 4.497 -4.686 -8.372 1.00 22.40 H new ATOM 0 HG2 LYS A 97 6.597 -5.984 -8.806 1.00 54.52 H new ATOM 0 HG3 LYS A 97 6.115 -7.140 -7.581 1.00 54.52 H new ATOM 0 HD2 LYS A 97 3.905 -7.385 -8.951 1.00 4.32 H new ATOM 0 HD3 LYS A 97 4.760 -6.559 -10.238 1.00 4.32 H new ATOM 0 HE2 LYS A 97 5.016 -8.915 -10.635 1.00 2.41 H new ATOM 0 HE3 LYS A 97 6.571 -8.321 -10.088 1.00 2.41 H new ATOM 0 HZ1 LYS A 97 6.466 -9.957 -8.601 1.00 43.41 H new ATOM 0 HZ2 LYS A 97 5.321 -9.019 -7.769 1.00 43.41 H new ATOM 0 HZ3 LYS A 97 4.808 -10.221 -8.853 1.00 43.41 H new ATOM 1570 N TRP A 98 5.907 -5.561 -4.412 1.00 52.03 N ATOM 1571 CA TRP A 98 6.514 -6.370 -3.353 1.00 3.31 C ATOM 1572 C TRP A 98 6.458 -7.871 -3.685 1.00 61.51 C ATOM 1573 O TRP A 98 5.439 -8.385 -4.151 1.00 2.32 O ATOM 1574 CB TRP A 98 5.811 -6.083 -2.017 1.00 64.33 C ATOM 1575 CG TRP A 98 6.278 -6.940 -0.877 1.00 51.45 C ATOM 1576 CD1 TRP A 98 7.566 -7.258 -0.553 1.00 2.23 C ATOM 1577 CD2 TRP A 98 5.451 -7.577 0.100 1.00 65.14 C ATOM 1578 NE1 TRP A 98 7.586 -8.066 0.558 1.00 23.21 N ATOM 1579 CE2 TRP A 98 6.300 -8.272 0.980 1.00 34.15 C ATOM 1580 CE3 TRP A 98 4.071 -7.630 0.311 1.00 22.42 C ATOM 1581 CZ2 TRP A 98 5.813 -9.006 2.058 1.00 54.32 C ATOM 1582 CZ3 TRP A 98 3.591 -8.356 1.380 1.00 31.43 C ATOM 1583 CH2 TRP A 98 4.457 -9.038 2.242 1.00 3.21 C ATOM 0 H TRP A 98 5.025 -5.123 -4.144 1.00 52.03 H new ATOM 0 HA TRP A 98 7.566 -6.096 -3.272 1.00 3.31 H new ATOM 0 HB2 TRP A 98 5.965 -5.036 -1.756 1.00 64.33 H new ATOM 0 HB3 TRP A 98 4.738 -6.224 -2.147 1.00 64.33 H new ATOM 0 HD1 TRP A 98 8.441 -6.923 -1.091 1.00 2.23 H new ATOM 0 HE1 TRP A 98 8.423 -8.450 0.997 1.00 23.21 H new ATOM 0 HE3 TRP A 98 3.393 -7.112 -0.351 1.00 22.42 H new ATOM 0 HZ2 TRP A 98 6.481 -9.531 2.725 1.00 54.32 H new ATOM 0 HZ3 TRP A 98 2.526 -8.399 1.556 1.00 31.43 H new ATOM 0 HH2 TRP A 98 4.048 -9.600 3.068 1.00 3.21 H new ATOM 1594 N GLN A 99 7.568 -8.565 -3.439 1.00 53.43 N ATOM 1595 CA GLN A 99 7.698 -9.985 -3.781 1.00 14.05 C ATOM 1596 C GLN A 99 8.364 -10.782 -2.641 1.00 51.25 C ATOM 1597 O GLN A 99 9.590 -10.893 -2.586 1.00 41.43 O ATOM 1598 CB GLN A 99 8.519 -10.124 -5.073 1.00 34.12 C ATOM 1599 CG GLN A 99 7.868 -9.467 -6.290 1.00 24.30 C ATOM 1600 CD GLN A 99 8.822 -9.295 -7.461 1.00 11.24 C ATOM 1601 OE1 GLN A 99 8.958 -10.171 -8.310 1.00 71.34 O ATOM 1602 NE2 GLN A 99 9.469 -8.150 -7.529 1.00 75.33 N ATOM 0 H GLN A 99 8.398 -8.165 -3.001 1.00 53.43 H new ATOM 0 HA GLN A 99 6.700 -10.396 -3.931 1.00 14.05 H new ATOM 0 HB2 GLN A 99 9.503 -9.683 -4.916 1.00 34.12 H new ATOM 0 HB3 GLN A 99 8.674 -11.182 -5.282 1.00 34.12 H new ATOM 0 HG2 GLN A 99 7.017 -10.070 -6.608 1.00 24.30 H new ATOM 0 HG3 GLN A 99 7.477 -8.491 -6.002 1.00 24.30 H new ATOM 0 HE21 GLN A 99 9.333 -7.443 -6.806 1.00 75.33 H new ATOM 0 HE22 GLN A 99 10.106 -7.970 -8.305 1.00 75.33 H new ATOM 1611 N PRO A 100 7.567 -11.331 -1.701 1.00 62.21 N ATOM 1612 CA PRO A 100 8.100 -12.148 -0.592 1.00 65.35 C ATOM 1613 C PRO A 100 8.633 -13.514 -1.066 1.00 35.51 C ATOM 1614 O PRO A 100 9.500 -14.115 -0.427 1.00 13.10 O ATOM 1615 CB PRO A 100 6.886 -12.327 0.331 1.00 61.12 C ATOM 1616 CG PRO A 100 5.701 -12.184 -0.569 1.00 44.42 C ATOM 1617 CD PRO A 100 6.099 -11.190 -1.631 1.00 31.24 C ATOM 0 HA PRO A 100 8.953 -11.672 -0.108 1.00 65.35 H new ATOM 0 HB2 PRO A 100 6.899 -13.302 0.817 1.00 61.12 H new ATOM 0 HB3 PRO A 100 6.876 -11.577 1.122 1.00 61.12 H new ATOM 0 HG2 PRO A 100 5.432 -13.142 -1.014 1.00 44.42 H new ATOM 0 HG3 PRO A 100 4.830 -11.834 -0.014 1.00 44.42 H new ATOM 0 HD2 PRO A 100 5.628 -11.415 -2.588 1.00 31.24 H new ATOM 0 HD3 PRO A 100 5.805 -10.175 -1.362 1.00 31.24 H new ATOM 1625 N LEU A 101 8.107 -13.990 -2.195 1.00 43.51 N ATOM 1626 CA LEU A 101 8.525 -15.264 -2.790 1.00 70.21 C ATOM 1627 C LEU A 101 8.074 -15.359 -4.258 1.00 10.04 C ATOM 1628 O LEU A 101 7.530 -14.398 -4.812 1.00 63.41 O ATOM 1629 CB LEU A 101 7.986 -16.450 -1.957 1.00 51.42 C ATOM 1630 CG LEU A 101 6.495 -16.388 -1.546 1.00 4.31 C ATOM 1631 CD1 LEU A 101 5.563 -16.585 -2.741 1.00 21.15 C ATOM 1632 CD2 LEU A 101 6.196 -17.420 -0.460 1.00 51.44 C ATOM 0 H LEU A 101 7.381 -13.506 -2.723 1.00 43.51 H new ATOM 0 HA LEU A 101 9.614 -15.311 -2.779 1.00 70.21 H new ATOM 0 HB2 LEU A 101 8.145 -17.366 -2.526 1.00 51.42 H new ATOM 0 HB3 LEU A 101 8.586 -16.530 -1.051 1.00 51.42 H new ATOM 0 HG LEU A 101 6.309 -15.390 -1.148 1.00 4.31 H new ATOM 0 HD11 LEU A 101 4.527 -16.534 -2.407 1.00 21.15 H new ATOM 0 HD12 LEU A 101 5.745 -15.803 -3.478 1.00 21.15 H new ATOM 0 HD13 LEU A 101 5.751 -17.559 -3.192 1.00 21.15 H new ATOM 0 HD21 LEU A 101 5.143 -17.362 -0.183 1.00 51.44 H new ATOM 0 HD22 LEU A 101 6.418 -18.419 -0.836 1.00 51.44 H new ATOM 0 HD23 LEU A 101 6.813 -17.216 0.415 1.00 51.44 H new ATOM 1644 N GLU A 102 8.312 -16.506 -4.887 1.00 2.42 N ATOM 1645 CA GLU A 102 7.884 -16.734 -6.280 1.00 34.24 C ATOM 1646 C GLU A 102 6.508 -17.432 -6.332 1.00 4.11 C ATOM 1647 O GLU A 102 5.493 -16.743 -6.591 1.00 37.69 O ATOM 1648 CB GLU A 102 8.944 -17.538 -7.079 1.00 34.32 C ATOM 1649 CG GLU A 102 10.131 -18.062 -6.264 1.00 74.43 C ATOM 1650 CD GLU A 102 9.754 -19.163 -5.283 1.00 50.32 C ATOM 1651 OE1 GLU A 102 9.409 -20.279 -5.732 1.00 24.25 O ATOM 1652 OE2 GLU A 102 9.813 -18.926 -4.056 1.00 34.12 O ATOM 0 H GLU A 102 8.798 -17.296 -4.462 1.00 2.42 H new ATOM 0 HA GLU A 102 7.786 -15.757 -6.754 1.00 34.24 H new ATOM 0 HB2 GLU A 102 8.449 -18.386 -7.553 1.00 34.32 H new ATOM 0 HB3 GLU A 102 9.327 -16.905 -7.879 1.00 34.32 H new ATOM 0 HG2 GLU A 102 10.892 -18.439 -6.947 1.00 74.43 H new ATOM 0 HG3 GLU A 102 10.578 -17.234 -5.714 1.00 74.43 H new TER 1659 GLU A 102