USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 814 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 67 TYR OH : rot 15:sc= -2.83! USER MOD Set 1.2: A 80 MET CE :methyl -130:sc= -3.91! (180deg=-1.07) USER MOD Set 2.1: A 46 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 79 LYS NZ :NH3+ -113:sc= -0.217 (180deg=-1.54) USER MOD Set 3.1: A 19 THR OG1 : rot -130:sc= -3.58! USER MOD Set 3.2: A 31 ASN : amide:sc= -2.56! C(o=-6.1!,f=-16!) USER MOD Set 4.1: A 15 SER OG : rot 180:sc= -0.0224 USER MOD Set 4.2: A 16 GLN : amide:sc= -0.0275 K(o=-0.05,f=-0.63) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -146:sc= -0.325 (180deg=-1.59!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.184 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -2.59! C(o=-2.6!,f=-6.4!) USER MOD Single : A 25 LYS NZ :NH3+ -114:sc= -1.38 (180deg=-3.57!) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= -1.02 (180deg=-1.15) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.553 F(o=-1.3!,f=-0.55) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 47:sc= -0.106 USER MOD Single : A 42 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.21) USER MOD Single : A 47 SER OG : rot 20:sc= 0.0317 USER MOD Single : A 48 TYR OH : rot 180:sc= -3.3! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0438 USER MOD Single : A 52 ASN : amide:sc= -5.19! C(o=-5.2!,f=-12!) USER MOD Single : A 53 LYS NZ :NH3+ 150:sc= -0.312 (180deg=-1.48!) USER MOD Single : A 54 ASN : amide:sc= -5.08! C(o=-5.1!,f=-8.8!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 120:sc= 0.665 USER MOD Single : A 65 MET CE :methyl 157:sc= -3.02! (180deg=-3.31!) USER MOD Single : A 70 ASN : amide:sc= -0.177 K(o=-0.18,f=-5.5!) USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= -1.35! (180deg=-1.9) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -130:sc= -4.01! USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.434 USER MOD Single : A 86 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00437) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -162:sc= -0.594 (180deg=-1.18) USER MOD Single : A 97 TYR OH : rot -164:sc= -0.811 USER MOD Single : A 99 LYS NZ :NH3+ -138:sc= 1.22 (180deg=1.08) USER MOD Single : A 100 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0036) USER MOD Single : A 102 THR OG1 : rot -99:sc= 0.814 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.899 0.589 -1.326 1.00 24.45 N ATOM 2 CA GLY A 1 1.957 0.120 -2.206 1.00 4.32 C ATOM 3 C GLY A 1 1.770 -1.360 -2.547 1.00 34.12 C ATOM 4 O GLY A 1 2.105 -2.232 -1.747 1.00 52.20 O ATOM 0 H1 GLY A 1 1.048 1.595 -1.109 1.00 24.45 H new ATOM 0 H2 GLY A 1 -0.021 0.469 -1.795 1.00 24.45 H new ATOM 0 H3 GLY A 1 0.912 0.039 -0.443 1.00 24.45 H new ATOM 0 HA2 GLY A 1 1.961 0.710 -3.122 1.00 4.32 H new ATOM 0 HA3 GLY A 1 2.925 0.267 -1.727 1.00 4.32 H new ATOM 8 N ASP A 2 1.234 -1.596 -3.736 1.00 42.55 N ATOM 9 CA ASP A 2 0.999 -2.956 -4.193 1.00 3.31 C ATOM 10 C ASP A 2 2.327 -3.584 -4.619 1.00 4.41 C ATOM 11 O ASP A 2 3.180 -2.909 -5.194 1.00 51.34 O ATOM 12 CB ASP A 2 0.057 -2.976 -5.399 1.00 52.41 C ATOM 13 CG ASP A 2 -1.426 -2.803 -5.065 1.00 63.04 C ATOM 14 OD1 ASP A 2 -2.086 -3.740 -4.592 1.00 4.01 O ATOM 15 OD2 ASP A 2 -1.908 -1.633 -5.313 1.00 63.42 O1- ATOM 0 H ASP A 2 0.956 -0.870 -4.396 1.00 42.55 H new ATOM 0 HA ASP A 2 0.547 -3.514 -3.373 1.00 3.31 H new ATOM 0 HB2 ASP A 2 0.354 -2.184 -6.086 1.00 52.41 H new ATOM 0 HB3 ASP A 2 0.187 -3.921 -5.927 1.00 52.41 H new ATOM 21 N VAL A 3 2.461 -4.868 -4.321 1.00 75.13 N ATOM 22 CA VAL A 3 3.671 -5.594 -4.666 1.00 75.34 C ATOM 23 C VAL A 3 3.630 -5.969 -6.149 1.00 13.43 C ATOM 24 O VAL A 3 4.656 -5.949 -6.827 1.00 74.44 O ATOM 25 CB VAL A 3 3.835 -6.806 -3.747 1.00 52.14 C ATOM 26 CG1 VAL A 3 3.301 -6.506 -2.344 1.00 34.45 C ATOM 27 CG2 VAL A 3 3.153 -8.040 -4.341 1.00 44.44 C ATOM 0 H VAL A 3 1.751 -5.424 -3.844 1.00 75.13 H new ATOM 0 HA VAL A 3 4.549 -4.967 -4.513 1.00 75.34 H new ATOM 0 HB VAL A 3 4.900 -7.021 -3.661 1.00 52.14 H new ATOM 0 HG11 VAL A 3 3.429 -7.384 -1.710 1.00 34.45 H new ATOM 0 HG12 VAL A 3 3.850 -5.667 -1.917 1.00 34.45 H new ATOM 0 HG13 VAL A 3 2.242 -6.254 -2.404 1.00 34.45 H new ATOM 0 HG21 VAL A 3 3.284 -8.888 -3.668 1.00 44.44 H new ATOM 0 HG22 VAL A 3 2.089 -7.841 -4.470 1.00 44.44 H new ATOM 0 HG23 VAL A 3 3.599 -8.272 -5.308 1.00 44.44 H new ATOM 37 N GLU A 4 2.433 -6.303 -6.609 1.00 51.25 N ATOM 38 CA GLU A 4 2.244 -6.682 -7.999 1.00 54.55 C ATOM 39 C GLU A 4 2.934 -5.675 -8.923 1.00 41.14 C ATOM 40 O GLU A 4 3.798 -6.044 -9.715 1.00 54.03 O ATOM 41 CB GLU A 4 0.757 -6.807 -8.337 1.00 30.12 C ATOM 42 CG GLU A 4 0.116 -7.962 -7.565 1.00 30.34 C ATOM 43 CD GLU A 4 -1.258 -8.310 -8.141 1.00 64.34 C ATOM 44 OE1 GLU A 4 -1.392 -8.484 -9.361 1.00 52.43 O ATOM 45 OE2 GLU A 4 -2.207 -8.400 -7.272 1.00 73.12 O1- ATOM 0 H GLU A 4 1.584 -6.319 -6.044 1.00 51.25 H new ATOM 0 HA GLU A 4 2.701 -7.660 -8.153 1.00 54.55 H new ATOM 0 HB2 GLU A 4 0.246 -5.875 -8.096 1.00 30.12 H new ATOM 0 HB3 GLU A 4 0.636 -6.969 -9.408 1.00 30.12 H new ATOM 0 HG2 GLU A 4 0.765 -8.837 -7.608 1.00 30.34 H new ATOM 0 HG3 GLU A 4 0.016 -7.691 -6.514 1.00 30.34 H new ATOM 53 N LYS A 5 2.524 -4.422 -8.789 1.00 75.51 N ATOM 54 CA LYS A 5 3.090 -3.359 -9.601 1.00 13.03 C ATOM 55 C LYS A 5 4.618 -3.446 -9.555 1.00 44.51 C ATOM 56 O LYS A 5 5.297 -2.994 -10.475 1.00 62.31 O ATOM 57 CB LYS A 5 2.540 -2.000 -9.165 1.00 32.11 C ATOM 58 CG LYS A 5 1.219 -1.691 -9.875 1.00 40.51 C ATOM 59 CD LYS A 5 0.063 -2.468 -9.241 1.00 51.43 C ATOM 60 CE LYS A 5 -1.281 -1.815 -9.571 1.00 34.33 C ATOM 61 NZ LYS A 5 -1.539 -0.675 -8.663 1.00 61.11 N1+ ATOM 0 H LYS A 5 1.807 -4.120 -8.130 1.00 75.51 H new ATOM 0 HA LYS A 5 2.794 -3.478 -10.643 1.00 13.03 H new ATOM 0 HB2 LYS A 5 2.387 -1.994 -8.086 1.00 32.11 H new ATOM 0 HB3 LYS A 5 3.268 -1.220 -9.388 1.00 32.11 H new ATOM 0 HG2 LYS A 5 1.015 -0.621 -9.823 1.00 40.51 H new ATOM 0 HG3 LYS A 5 1.300 -1.949 -10.931 1.00 40.51 H new ATOM 0 HD2 LYS A 5 0.070 -3.497 -9.602 1.00 51.43 H new ATOM 0 HD3 LYS A 5 0.196 -2.508 -8.160 1.00 51.43 H new ATOM 0 HE2 LYS A 5 -1.281 -1.471 -10.605 1.00 34.33 H new ATOM 0 HE3 LYS A 5 -2.081 -2.549 -9.479 1.00 34.33 H new ATOM 0 HZ1 LYS A 5 -2.455 -0.243 -8.900 1.00 61.11 H new ATOM 0 HZ2 LYS A 5 -1.560 -1.012 -7.679 1.00 61.11 H new ATOM 0 HZ3 LYS A 5 -0.784 0.032 -8.771 1.00 61.11 H new ATOM 74 N GLY A 6 5.113 -4.032 -8.475 1.00 33.14 N ATOM 75 CA GLY A 6 6.547 -4.185 -8.296 1.00 41.25 C ATOM 76 C GLY A 6 7.018 -5.552 -8.794 1.00 61.35 C ATOM 77 O GLY A 6 8.183 -5.719 -9.151 1.00 72.04 O ATOM 0 H GLY A 6 4.546 -4.407 -7.714 1.00 33.14 H new ATOM 0 HA2 GLY A 6 7.071 -3.397 -8.837 1.00 41.25 H new ATOM 0 HA3 GLY A 6 6.800 -4.071 -7.242 1.00 41.25 H new ATOM 81 N LYS A 7 6.089 -6.496 -8.802 1.00 54.25 N ATOM 82 CA LYS A 7 6.394 -7.844 -9.251 1.00 13.43 C ATOM 83 C LYS A 7 6.505 -7.857 -10.777 1.00 11.22 C ATOM 84 O LYS A 7 7.261 -8.646 -11.343 1.00 40.24 O ATOM 85 CB LYS A 7 5.370 -8.838 -8.700 1.00 12.01 C ATOM 86 CG LYS A 7 5.895 -10.272 -8.789 1.00 61.14 C ATOM 87 CD LYS A 7 5.321 -11.137 -7.665 1.00 21.42 C ATOM 88 CE LYS A 7 5.330 -12.617 -8.051 1.00 53.44 C ATOM 89 NZ LYS A 7 4.461 -13.396 -7.142 1.00 74.43 N1+ ATOM 0 H LYS A 7 5.124 -6.354 -8.504 1.00 54.25 H new ATOM 0 HA LYS A 7 7.359 -8.166 -8.859 1.00 13.43 H new ATOM 0 HB2 LYS A 7 5.143 -8.594 -7.662 1.00 12.01 H new ATOM 0 HB3 LYS A 7 4.438 -8.753 -9.259 1.00 12.01 H new ATOM 0 HG2 LYS A 7 5.629 -10.701 -9.755 1.00 61.14 H new ATOM 0 HG3 LYS A 7 6.983 -10.269 -8.731 1.00 61.14 H new ATOM 0 HD2 LYS A 7 5.904 -10.991 -6.756 1.00 21.42 H new ATOM 0 HD3 LYS A 7 4.301 -10.822 -7.444 1.00 21.42 H new ATOM 0 HE2 LYS A 7 4.987 -12.733 -9.079 1.00 53.44 H new ATOM 0 HE3 LYS A 7 6.348 -13.003 -8.010 1.00 53.44 H new ATOM 0 HZ1 LYS A 7 4.479 -14.398 -7.419 1.00 74.43 H new ATOM 0 HZ2 LYS A 7 4.806 -13.300 -6.165 1.00 74.43 H new ATOM 0 HZ3 LYS A 7 3.486 -13.038 -7.202 1.00 74.43 H new ATOM 102 N LYS A 8 5.741 -6.972 -11.401 1.00 45.33 N ATOM 103 CA LYS A 8 5.744 -6.870 -12.850 1.00 12.01 C ATOM 104 C LYS A 8 6.907 -5.982 -13.293 1.00 54.24 C ATOM 105 O LYS A 8 7.461 -6.170 -14.376 1.00 40.24 O ATOM 106 CB LYS A 8 4.380 -6.397 -13.357 1.00 14.42 C ATOM 107 CG LYS A 8 3.390 -7.560 -13.434 1.00 34.03 C ATOM 108 CD LYS A 8 3.619 -8.393 -14.697 1.00 33.34 C ATOM 109 CE LYS A 8 2.827 -7.828 -15.878 1.00 60.43 C ATOM 110 NZ LYS A 8 1.404 -7.653 -15.511 1.00 31.43 N1+ ATOM 0 H LYS A 8 5.116 -6.319 -10.929 1.00 45.33 H new ATOM 0 HA LYS A 8 5.903 -7.850 -13.300 1.00 12.01 H new ATOM 0 HB2 LYS A 8 3.989 -5.625 -12.694 1.00 14.42 H new ATOM 0 HB3 LYS A 8 4.491 -5.944 -14.342 1.00 14.42 H new ATOM 0 HG2 LYS A 8 3.497 -8.192 -12.553 1.00 34.03 H new ATOM 0 HG3 LYS A 8 2.370 -7.175 -13.428 1.00 34.03 H new ATOM 0 HD2 LYS A 8 4.681 -8.407 -14.940 1.00 33.34 H new ATOM 0 HD3 LYS A 8 3.321 -9.425 -14.515 1.00 33.34 H new ATOM 0 HE2 LYS A 8 3.250 -6.871 -16.183 1.00 60.43 H new ATOM 0 HE3 LYS A 8 2.908 -8.499 -16.733 1.00 60.43 H new ATOM 0 HZ1 LYS A 8 0.806 -7.837 -16.342 1.00 31.43 H new ATOM 0 HZ2 LYS A 8 1.157 -8.320 -14.752 1.00 31.43 H new ATOM 0 HZ3 LYS A 8 1.248 -6.679 -15.181 1.00 31.43 H new ATOM 123 N ILE A 9 7.244 -5.030 -12.434 1.00 72.22 N ATOM 124 CA ILE A 9 8.331 -4.111 -12.723 1.00 63.35 C ATOM 125 C ILE A 9 9.658 -4.750 -12.307 1.00 74.32 C ATOM 126 O ILE A 9 10.715 -4.384 -12.818 1.00 34.45 O ATOM 127 CB ILE A 9 8.073 -2.752 -12.069 1.00 33.41 C ATOM 128 CG1 ILE A 9 6.879 -2.050 -12.719 1.00 13.20 C ATOM 129 CG2 ILE A 9 9.332 -1.884 -12.093 1.00 10.42 C ATOM 130 CD1 ILE A 9 6.296 -0.985 -11.788 1.00 3.44 C ATOM 0 H ILE A 9 6.783 -4.876 -11.537 1.00 72.22 H new ATOM 0 HA ILE A 9 8.391 -3.918 -13.794 1.00 63.35 H new ATOM 0 HB ILE A 9 7.818 -2.919 -11.022 1.00 33.41 H new ATOM 0 HG12 ILE A 9 7.190 -1.588 -13.656 1.00 13.20 H new ATOM 0 HG13 ILE A 9 6.111 -2.783 -12.965 1.00 13.20 H new ATOM 0 HG21 ILE A 9 9.121 -0.924 -11.622 1.00 10.42 H new ATOM 0 HG22 ILE A 9 10.131 -2.387 -11.549 1.00 10.42 H new ATOM 0 HG23 ILE A 9 9.642 -1.721 -13.125 1.00 10.42 H new ATOM 0 HD11 ILE A 9 5.449 -0.501 -12.274 1.00 3.44 H new ATOM 0 HD12 ILE A 9 5.964 -1.454 -10.862 1.00 3.44 H new ATOM 0 HD13 ILE A 9 7.060 -0.240 -11.564 1.00 3.44 H new ATOM 142 N PHE A 10 9.559 -5.696 -11.385 1.00 22.51 N ATOM 143 CA PHE A 10 10.738 -6.391 -10.895 1.00 30.30 C ATOM 144 C PHE A 10 11.234 -7.417 -11.916 1.00 54.03 C ATOM 145 O PHE A 10 12.392 -7.829 -11.874 1.00 62.33 O ATOM 146 CB PHE A 10 10.328 -7.119 -9.614 1.00 71.01 C ATOM 147 CG PHE A 10 11.265 -8.263 -9.222 1.00 62.01 C ATOM 148 CD1 PHE A 10 12.449 -7.994 -8.609 1.00 65.44 C ATOM 149 CD2 PHE A 10 10.913 -9.551 -9.486 1.00 53.24 C ATOM 150 CE1 PHE A 10 13.318 -9.056 -8.245 1.00 63.41 C ATOM 151 CE2 PHE A 10 11.783 -10.613 -9.122 1.00 45.31 C ATOM 152 CZ PHE A 10 12.967 -10.343 -8.510 1.00 72.24 C ATOM 0 H PHE A 10 8.680 -5.998 -10.964 1.00 22.51 H new ATOM 0 HA PHE A 10 11.543 -5.678 -10.717 1.00 30.30 H new ATOM 0 HB2 PHE A 10 10.288 -6.399 -8.796 1.00 71.01 H new ATOM 0 HB3 PHE A 10 9.320 -7.515 -9.740 1.00 71.01 H new ATOM 0 HD1 PHE A 10 12.728 -6.972 -8.399 1.00 65.44 H new ATOM 0 HD2 PHE A 10 9.973 -9.765 -9.972 1.00 53.24 H new ATOM 0 HE1 PHE A 10 14.258 -8.842 -7.758 1.00 63.41 H new ATOM 0 HE2 PHE A 10 11.504 -11.635 -9.331 1.00 45.31 H new ATOM 0 HZ PHE A 10 13.629 -11.151 -8.234 1.00 72.24 H new ATOM 162 N ILE A 11 10.332 -7.800 -12.807 1.00 5.51 N ATOM 163 CA ILE A 11 10.662 -8.771 -13.837 1.00 1.20 C ATOM 164 C ILE A 11 11.350 -8.057 -15.002 1.00 50.30 C ATOM 165 O ILE A 11 12.509 -8.333 -15.306 1.00 63.10 O ATOM 166 CB ILE A 11 9.418 -9.561 -14.247 1.00 12.30 C ATOM 167 CG1 ILE A 11 8.928 -10.447 -13.100 1.00 73.50 C ATOM 168 CG2 ILE A 11 9.676 -10.367 -15.523 1.00 74.44 C ATOM 169 CD1 ILE A 11 7.463 -10.840 -13.298 1.00 31.21 C ATOM 0 H ILE A 11 9.372 -7.456 -12.837 1.00 5.51 H new ATOM 0 HA ILE A 11 11.367 -9.509 -13.454 1.00 1.20 H new ATOM 0 HB ILE A 11 8.621 -8.851 -14.469 1.00 12.30 H new ATOM 0 HG12 ILE A 11 9.544 -11.344 -13.040 1.00 73.50 H new ATOM 0 HG13 ILE A 11 9.042 -9.919 -12.153 1.00 73.50 H new ATOM 0 HG21 ILE A 11 8.776 -10.919 -15.793 1.00 74.44 H new ATOM 0 HG22 ILE A 11 9.942 -9.689 -16.334 1.00 74.44 H new ATOM 0 HG23 ILE A 11 10.494 -11.067 -15.352 1.00 74.44 H new ATOM 0 HD11 ILE A 11 7.140 -11.470 -12.469 1.00 31.21 H new ATOM 0 HD12 ILE A 11 6.847 -9.942 -13.333 1.00 31.21 H new ATOM 0 HD13 ILE A 11 7.357 -11.389 -14.233 1.00 31.21 H new ATOM 181 N MET A 12 10.605 -7.154 -15.623 1.00 24.33 N ATOM 182 CA MET A 12 11.129 -6.400 -16.749 1.00 1.20 C ATOM 183 C MET A 12 12.421 -5.674 -16.370 1.00 33.53 C ATOM 184 O MET A 12 13.205 -5.298 -17.239 1.00 42.35 O ATOM 185 CB MET A 12 10.086 -5.379 -17.208 1.00 60.40 C ATOM 186 CG MET A 12 9.152 -5.983 -18.258 1.00 23.04 C ATOM 187 SD MET A 12 8.196 -7.306 -17.535 1.00 15.25 S ATOM 188 CE MET A 12 6.545 -6.704 -17.850 1.00 65.42 C ATOM 0 H MET A 12 9.644 -6.928 -15.368 1.00 24.33 H new ATOM 0 HA MET A 12 11.350 -7.097 -17.557 1.00 1.20 H new ATOM 0 HB2 MET A 12 9.504 -5.038 -16.352 1.00 60.40 H new ATOM 0 HB3 MET A 12 10.586 -4.504 -17.622 1.00 60.40 H new ATOM 0 HG2 MET A 12 8.486 -5.214 -18.650 1.00 23.04 H new ATOM 0 HG3 MET A 12 9.733 -6.361 -19.099 1.00 23.04 H new ATOM 0 HE1 MET A 12 5.818 -7.416 -17.460 1.00 65.42 H new ATOM 0 HE2 MET A 12 6.409 -5.740 -17.359 1.00 65.42 H new ATOM 0 HE3 MET A 12 6.399 -6.588 -18.924 1.00 65.42 H new ATOM 198 N LYS A 13 12.603 -5.498 -15.069 1.00 62.15 N ATOM 199 CA LYS A 13 13.787 -4.824 -14.562 1.00 62.04 C ATOM 200 C LYS A 13 14.753 -5.863 -13.987 1.00 3.45 C ATOM 201 O LYS A 13 15.969 -5.709 -14.091 1.00 2.42 O ATOM 202 CB LYS A 13 13.397 -3.729 -13.568 1.00 42.23 C ATOM 203 CG LYS A 13 12.311 -2.822 -14.150 1.00 64.41 C ATOM 204 CD LYS A 13 12.923 -1.722 -15.019 1.00 24.41 C ATOM 205 CE LYS A 13 13.128 -2.209 -16.456 1.00 3.12 C ATOM 206 NZ LYS A 13 12.953 -1.092 -17.411 1.00 43.44 N1+ ATOM 0 H LYS A 13 11.950 -5.811 -14.350 1.00 62.15 H new ATOM 0 HA LYS A 13 14.311 -4.314 -15.371 1.00 62.04 H new ATOM 0 HB2 LYS A 13 13.040 -4.183 -12.643 1.00 42.23 H new ATOM 0 HB3 LYS A 13 14.274 -3.135 -13.313 1.00 42.23 H new ATOM 0 HG2 LYS A 13 11.616 -3.416 -14.744 1.00 64.41 H new ATOM 0 HG3 LYS A 13 11.735 -2.373 -13.341 1.00 64.41 H new ATOM 0 HD2 LYS A 13 12.272 -0.848 -15.017 1.00 24.41 H new ATOM 0 HD3 LYS A 13 13.878 -1.410 -14.597 1.00 24.41 H new ATOM 0 HE2 LYS A 13 14.126 -2.634 -16.563 1.00 3.12 H new ATOM 0 HE3 LYS A 13 12.417 -3.004 -16.682 1.00 3.12 H new ATOM 0 HZ1 LYS A 13 13.095 -1.439 -18.381 1.00 43.44 H new ATOM 0 HZ2 LYS A 13 11.992 -0.704 -17.319 1.00 43.44 H new ATOM 0 HZ3 LYS A 13 13.648 -0.347 -17.205 1.00 43.44 H new ATOM 219 N CYS A 14 14.175 -6.896 -13.393 1.00 12.24 N ATOM 220 CA CYS A 14 14.969 -7.960 -12.802 1.00 32.54 C ATOM 221 C CYS A 14 14.328 -9.299 -13.169 1.00 32.32 C ATOM 222 O CYS A 14 13.598 -9.882 -12.369 1.00 22.25 O ATOM 223 CB CYS A 14 15.104 -7.788 -11.287 1.00 14.53 C ATOM 224 SG CYS A 14 14.935 -6.065 -10.692 1.00 23.33 S ATOM 0 H CYS A 14 13.166 -7.019 -13.308 1.00 12.24 H new ATOM 0 HA CYS A 14 15.984 -7.924 -13.199 1.00 32.54 H new ATOM 0 HB2 CYS A 14 14.349 -8.402 -10.797 1.00 14.53 H new ATOM 0 HB3 CYS A 14 16.076 -8.171 -10.977 1.00 14.53 H new ATOM 0 HG CYS A 14 15.064 -6.038 -9.399 1.00 23.33 H new ATOM 229 N SER A 15 14.625 -9.748 -14.380 1.00 63.31 N ATOM 230 CA SER A 15 14.086 -11.009 -14.863 1.00 52.21 C ATOM 231 C SER A 15 15.227 -11.973 -15.193 1.00 14.32 C ATOM 232 O SER A 15 16.254 -11.563 -15.733 1.00 24.42 O ATOM 233 CB SER A 15 13.200 -10.794 -16.091 1.00 24.11 C ATOM 234 OG SER A 15 13.112 -11.967 -16.897 1.00 62.04 O ATOM 0 H SER A 15 15.231 -9.262 -15.041 1.00 63.31 H new ATOM 0 HA SER A 15 13.470 -11.442 -14.075 1.00 52.21 H new ATOM 0 HB2 SER A 15 12.201 -10.499 -15.770 1.00 24.11 H new ATOM 0 HB3 SER A 15 13.599 -9.973 -16.687 1.00 24.11 H new ATOM 0 HG SER A 15 12.537 -11.790 -17.670 1.00 62.04 H new ATOM 240 N GLN A 16 15.009 -13.235 -14.854 1.00 3.25 N ATOM 241 CA GLN A 16 16.007 -14.261 -15.108 1.00 0.11 C ATOM 242 C GLN A 16 17.346 -13.866 -14.482 1.00 64.21 C ATOM 243 O GLN A 16 18.404 -14.250 -14.976 1.00 52.24 O ATOM 244 CB GLN A 16 16.159 -14.518 -16.608 1.00 55.01 C ATOM 245 CG GLN A 16 15.142 -15.553 -17.093 1.00 51.45 C ATOM 246 CD GLN A 16 13.817 -14.887 -17.467 1.00 65.25 C ATOM 247 OE1 GLN A 16 13.702 -14.190 -18.462 1.00 12.42 O ATOM 248 NE2 GLN A 16 12.826 -15.139 -16.617 1.00 43.12 N ATOM 0 H GLN A 16 14.156 -13.571 -14.406 1.00 3.25 H new ATOM 0 HA GLN A 16 15.671 -15.189 -14.645 1.00 0.11 H new ATOM 0 HB2 GLN A 16 16.024 -13.585 -17.156 1.00 55.01 H new ATOM 0 HB3 GLN A 16 17.169 -14.868 -16.820 1.00 55.01 H new ATOM 0 HG2 GLN A 16 15.542 -16.084 -17.956 1.00 51.45 H new ATOM 0 HG3 GLN A 16 14.973 -16.295 -16.313 1.00 51.45 H new ATOM 0 HE21 GLN A 16 12.990 -15.731 -15.803 1.00 43.12 H new ATOM 0 HE22 GLN A 16 11.901 -14.740 -16.779 1.00 43.12 H new ATOM 257 N CYS A 17 17.255 -13.105 -13.401 1.00 41.41 N ATOM 258 CA CYS A 17 18.445 -12.654 -12.701 1.00 75.41 C ATOM 259 C CYS A 17 18.241 -12.891 -11.203 1.00 51.53 C ATOM 260 O CYS A 17 19.029 -13.591 -10.569 1.00 52.44 O ATOM 261 CB CYS A 17 18.762 -11.189 -13.009 1.00 31.53 C ATOM 262 SG CYS A 17 19.837 -10.926 -14.466 1.00 22.31 S ATOM 0 H CYS A 17 16.375 -12.790 -12.993 1.00 41.41 H new ATOM 0 HA CYS A 17 19.309 -13.224 -13.044 1.00 75.41 H new ATOM 0 HB2 CYS A 17 17.825 -10.654 -13.165 1.00 31.53 H new ATOM 0 HB3 CYS A 17 19.241 -10.744 -12.137 1.00 31.53 H new ATOM 0 HG CYS A 17 20.037 -9.652 -14.634 1.00 22.31 H new ATOM 267 N HIS A 18 17.180 -12.294 -10.681 1.00 64.33 N ATOM 268 CA HIS A 18 16.862 -12.432 -9.270 1.00 50.04 C ATOM 269 C HIS A 18 15.710 -13.422 -9.098 1.00 45.23 C ATOM 270 O HIS A 18 14.981 -13.703 -10.048 1.00 13.43 O ATOM 271 CB HIS A 18 16.570 -11.066 -8.644 1.00 30.21 C ATOM 272 CG HIS A 18 17.805 -10.246 -8.355 1.00 12.01 C ATOM 273 ND1 HIS A 18 18.643 -10.506 -7.285 1.00 53.33 N ATOM 274 CD2 HIS A 18 18.333 -9.171 -9.006 1.00 63.45 C ATOM 275 CE1 HIS A 18 19.628 -9.620 -7.300 1.00 1.34 C ATOM 276 NE2 HIS A 18 19.434 -8.794 -8.368 1.00 4.41 N ATOM 0 H HIS A 18 16.529 -11.713 -11.210 1.00 64.33 H new ATOM 0 HA HIS A 18 17.723 -12.835 -8.736 1.00 50.04 H new ATOM 0 HB2 HIS A 18 15.921 -10.502 -9.314 1.00 30.21 H new ATOM 0 HB3 HIS A 18 16.019 -11.214 -7.715 1.00 30.21 H new ATOM 0 HD1 HIS A 18 18.523 -11.253 -6.601 1.00 53.33 H new ATOM 0 HD2 HIS A 18 17.925 -8.705 -9.891 1.00 63.45 H new ATOM 0 HE1 HIS A 18 20.441 -9.562 -6.592 1.00 1.34 H new ATOM 284 N THR A 19 15.581 -13.925 -7.878 1.00 3.13 N ATOM 285 CA THR A 19 14.529 -14.879 -7.570 1.00 10.30 C ATOM 286 C THR A 19 13.606 -14.321 -6.485 1.00 53.54 C ATOM 287 O THR A 19 12.391 -14.498 -6.547 1.00 63.55 O ATOM 288 CB THR A 19 15.191 -16.202 -7.183 1.00 22.40 C ATOM 289 OG1 THR A 19 16.024 -15.864 -6.078 1.00 12.31 O ATOM 290 CG2 THR A 19 16.168 -16.702 -8.249 1.00 53.02 C ATOM 0 H THR A 19 16.187 -13.690 -7.092 1.00 3.13 H new ATOM 0 HA THR A 19 13.891 -15.059 -8.435 1.00 10.30 H new ATOM 0 HB THR A 19 14.422 -16.956 -7.014 1.00 22.40 H new ATOM 0 HG1 THR A 19 16.926 -16.216 -6.229 1.00 12.31 H new ATOM 0 HG21 THR A 19 16.610 -17.644 -7.924 1.00 53.02 H new ATOM 0 HG22 THR A 19 15.635 -16.855 -9.187 1.00 53.02 H new ATOM 0 HG23 THR A 19 16.956 -15.963 -8.396 1.00 53.02 H new ATOM 298 N VAL A 20 14.218 -13.658 -5.514 1.00 23.12 N ATOM 299 CA VAL A 20 13.467 -13.073 -4.417 1.00 24.13 C ATOM 300 C VAL A 20 12.510 -14.121 -3.845 1.00 41.42 C ATOM 301 O VAL A 20 11.466 -13.777 -3.291 1.00 25.44 O ATOM 302 CB VAL A 20 12.752 -11.806 -4.889 1.00 32.22 C ATOM 303 CG1 VAL A 20 13.725 -10.857 -5.592 1.00 62.12 C ATOM 304 CG2 VAL A 20 11.569 -12.149 -5.797 1.00 12.44 C ATOM 0 H VAL A 20 15.226 -13.513 -5.465 1.00 23.12 H new ATOM 0 HA VAL A 20 14.138 -12.771 -3.613 1.00 24.13 H new ATOM 0 HB VAL A 20 12.362 -11.295 -4.009 1.00 32.22 H new ATOM 0 HG11 VAL A 20 13.191 -9.964 -5.918 1.00 62.12 H new ATOM 0 HG12 VAL A 20 14.519 -10.573 -4.902 1.00 62.12 H new ATOM 0 HG13 VAL A 20 14.159 -11.357 -6.458 1.00 62.12 H new ATOM 0 HG21 VAL A 20 11.078 -11.230 -6.118 1.00 12.44 H new ATOM 0 HG22 VAL A 20 11.927 -12.694 -6.671 1.00 12.44 H new ATOM 0 HG23 VAL A 20 10.858 -12.768 -5.250 1.00 12.44 H new ATOM 314 N GLU A 21 12.901 -15.378 -3.996 1.00 11.10 N ATOM 315 CA GLU A 21 12.091 -16.478 -3.501 1.00 25.04 C ATOM 316 C GLU A 21 12.946 -17.431 -2.664 1.00 12.30 C ATOM 317 O GLU A 21 13.981 -17.909 -3.124 1.00 52.20 O ATOM 318 CB GLU A 21 11.411 -17.220 -4.653 1.00 44.12 C ATOM 319 CG GLU A 21 12.410 -17.535 -5.768 1.00 55.24 C ATOM 320 CD GLU A 21 12.028 -18.824 -6.499 1.00 31.53 C ATOM 321 OE1 GLU A 21 10.942 -19.373 -6.262 1.00 42.20 O ATOM 322 OE2 GLU A 21 12.907 -19.254 -7.341 1.00 50.23 O1- ATOM 0 H GLU A 21 13.768 -15.659 -4.454 1.00 11.10 H new ATOM 0 HA GLU A 21 11.307 -16.069 -2.864 1.00 25.04 H new ATOM 0 HB2 GLU A 21 10.969 -18.145 -4.284 1.00 44.12 H new ATOM 0 HB3 GLU A 21 10.597 -16.614 -5.050 1.00 44.12 H new ATOM 0 HG2 GLU A 21 12.443 -16.707 -6.476 1.00 55.24 H new ATOM 0 HG3 GLU A 21 13.411 -17.634 -5.347 1.00 55.24 H new ATOM 365 N LYS A 25 17.192 -21.519 -6.548 1.00 43.10 N ATOM 366 CA LYS A 25 18.642 -21.578 -6.640 1.00 25.50 C ATOM 367 C LYS A 25 19.198 -20.160 -6.783 1.00 31.53 C ATOM 368 O LYS A 25 18.438 -19.203 -6.922 1.00 63.34 O ATOM 369 CB LYS A 25 19.069 -22.523 -7.765 1.00 45.42 C ATOM 370 CG LYS A 25 19.197 -21.773 -9.093 1.00 33.12 C ATOM 371 CD LYS A 25 19.746 -22.688 -10.188 1.00 51.15 C ATOM 372 CE LYS A 25 21.152 -23.179 -9.839 1.00 20.45 C ATOM 373 NZ LYS A 25 21.081 -24.412 -9.021 1.00 61.34 N1+ ATOM 0 HA LYS A 25 19.065 -21.996 -5.726 1.00 25.50 H new ATOM 0 HB2 LYS A 25 20.022 -22.987 -7.512 1.00 45.42 H new ATOM 0 HB3 LYS A 25 18.340 -23.327 -7.866 1.00 45.42 H new ATOM 0 HG2 LYS A 25 18.223 -21.386 -9.392 1.00 33.12 H new ATOM 0 HG3 LYS A 25 19.856 -20.914 -8.968 1.00 33.12 H new ATOM 0 HD2 LYS A 25 19.081 -23.542 -10.320 1.00 51.15 H new ATOM 0 HD3 LYS A 25 19.769 -22.152 -11.137 1.00 51.15 H new ATOM 0 HE2 LYS A 25 21.713 -23.373 -10.753 1.00 20.45 H new ATOM 0 HE3 LYS A 25 21.690 -22.404 -9.293 1.00 20.45 H new ATOM 0 HZ1 LYS A 25 21.450 -24.218 -8.068 1.00 61.34 H new ATOM 0 HZ2 LYS A 25 20.092 -24.726 -8.952 1.00 61.34 H new ATOM 0 HZ3 LYS A 25 21.651 -25.158 -9.468 1.00 61.34 H new ATOM 386 N HIS A 26 20.518 -20.071 -6.744 1.00 35.31 N ATOM 387 CA HIS A 26 21.186 -18.786 -6.867 1.00 31.21 C ATOM 388 C HIS A 26 21.472 -18.496 -8.343 1.00 31.35 C ATOM 389 O HIS A 26 22.611 -18.613 -8.791 1.00 63.11 O ATOM 390 CB HIS A 26 22.445 -18.741 -6.000 1.00 60.42 C ATOM 391 CG HIS A 26 22.170 -18.511 -4.532 1.00 74.52 C ATOM 392 ND1 HIS A 26 22.317 -17.275 -3.926 1.00 53.11 N ATOM 393 CD2 HIS A 26 21.757 -19.371 -3.557 1.00 43.12 C ATOM 394 CE1 HIS A 26 22.005 -17.398 -2.644 1.00 4.22 C ATOM 395 NE2 HIS A 26 21.658 -18.697 -2.418 1.00 45.54 N ATOM 0 H HIS A 26 21.144 -20.868 -6.629 1.00 35.31 H new ATOM 0 HA HIS A 26 20.533 -17.996 -6.496 1.00 31.21 H new ATOM 0 HB2 HIS A 26 22.987 -19.679 -6.115 1.00 60.42 H new ATOM 0 HB3 HIS A 26 23.098 -17.949 -6.366 1.00 60.42 H new ATOM 0 HD2 HIS A 26 21.546 -20.422 -3.689 1.00 43.12 H new ATOM 0 HE1 HIS A 26 22.023 -16.608 -1.908 1.00 4.22 H new ATOM 0 HE2 HIS A 26 21.370 -19.087 -1.521 1.00 45.54 H new ATOM 403 N LYS A 27 20.419 -18.123 -9.054 1.00 43.43 N ATOM 404 CA LYS A 27 20.542 -17.816 -10.469 1.00 42.03 C ATOM 405 C LYS A 27 21.648 -16.776 -10.665 1.00 2.45 C ATOM 406 O LYS A 27 22.333 -16.406 -9.714 1.00 22.32 O ATOM 407 CB LYS A 27 19.190 -17.391 -11.045 1.00 4.12 C ATOM 408 CG LYS A 27 18.287 -18.605 -11.275 1.00 44.14 C ATOM 409 CD LYS A 27 17.326 -18.360 -12.440 1.00 74.23 C ATOM 410 CE LYS A 27 16.765 -16.938 -12.399 1.00 2.05 C ATOM 411 NZ LYS A 27 15.411 -16.897 -12.995 1.00 22.44 N1+ ATOM 0 H LYS A 27 19.476 -18.026 -8.677 1.00 43.43 H new ATOM 0 HA LYS A 27 20.835 -18.705 -11.028 1.00 42.03 H new ATOM 0 HB2 LYS A 27 18.703 -16.695 -10.363 1.00 4.12 H new ATOM 0 HB3 LYS A 27 19.341 -16.862 -11.986 1.00 4.12 H new ATOM 0 HG2 LYS A 27 18.898 -19.484 -11.482 1.00 44.14 H new ATOM 0 HG3 LYS A 27 17.719 -18.817 -10.369 1.00 44.14 H new ATOM 0 HD2 LYS A 27 17.845 -18.523 -13.385 1.00 74.23 H new ATOM 0 HD3 LYS A 27 16.508 -19.079 -12.398 1.00 74.23 H new ATOM 0 HE2 LYS A 27 16.726 -16.586 -11.368 1.00 2.05 H new ATOM 0 HE3 LYS A 27 17.428 -16.264 -12.941 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 14.971 -15.976 -12.794 1.00 22.44 H new ATOM 0 HZ2 LYS A 27 15.480 -17.031 -14.024 1.00 22.44 H new ATOM 0 HZ3 LYS A 27 14.829 -17.655 -12.586 1.00 22.44 H new ATOM 424 N THR A 28 21.787 -16.336 -11.907 1.00 45.00 N ATOM 425 CA THR A 28 22.798 -15.347 -12.241 1.00 61.12 C ATOM 426 C THR A 28 22.911 -14.302 -11.129 1.00 45.43 C ATOM 427 O THR A 28 23.981 -13.738 -10.908 1.00 2.21 O ATOM 428 CB THR A 28 22.442 -14.748 -13.603 1.00 35.30 C ATOM 429 OG1 THR A 28 21.998 -15.865 -14.368 1.00 61.25 O ATOM 430 CG2 THR A 28 23.672 -14.244 -14.361 1.00 51.31 C ATOM 0 H THR A 28 21.217 -16.646 -12.694 1.00 45.00 H new ATOM 0 HA THR A 28 23.785 -15.802 -12.318 1.00 61.12 H new ATOM 0 HB THR A 28 21.739 -13.927 -13.465 1.00 35.30 H new ATOM 0 HG1 THR A 28 21.745 -15.566 -15.266 1.00 61.25 H new ATOM 0 HG21 THR A 28 23.363 -13.829 -15.320 1.00 51.31 H new ATOM 0 HG22 THR A 28 24.169 -13.471 -13.775 1.00 51.31 H new ATOM 0 HG23 THR A 28 24.361 -15.072 -14.529 1.00 51.31 H new ATOM 438 N GLY A 29 21.791 -14.077 -10.458 1.00 10.45 N ATOM 439 CA GLY A 29 21.749 -13.110 -9.374 1.00 52.43 C ATOM 440 C GLY A 29 21.453 -13.796 -8.039 1.00 73.33 C ATOM 441 O GLY A 29 20.926 -14.906 -8.011 1.00 12.41 O ATOM 0 H GLY A 29 20.905 -14.548 -10.644 1.00 10.45 H new ATOM 0 HA2 GLY A 29 22.702 -12.584 -9.314 1.00 52.43 H new ATOM 0 HA3 GLY A 29 20.984 -12.361 -9.579 1.00 52.43 H new ATOM 445 N PRO A 30 21.817 -13.087 -6.936 1.00 64.11 N ATOM 446 CA PRO A 30 21.596 -13.616 -5.601 1.00 53.23 C ATOM 447 C PRO A 30 20.119 -13.529 -5.213 1.00 41.02 C ATOM 448 O PRO A 30 19.410 -12.628 -5.656 1.00 1.24 O ATOM 449 CB PRO A 30 22.498 -12.790 -4.697 1.00 21.01 C ATOM 450 CG PRO A 30 22.835 -11.532 -5.482 1.00 61.15 C ATOM 451 CD PRO A 30 22.444 -11.768 -6.931 1.00 30.43 C ATOM 0 HA PRO A 30 21.838 -14.676 -5.523 1.00 53.23 H new ATOM 0 HB2 PRO A 30 21.994 -12.544 -3.762 1.00 21.01 H new ATOM 0 HB3 PRO A 30 23.401 -13.342 -4.437 1.00 21.01 H new ATOM 0 HG2 PRO A 30 22.298 -10.674 -5.077 1.00 61.15 H new ATOM 0 HG3 PRO A 30 23.899 -11.308 -5.405 1.00 61.15 H new ATOM 0 HD2 PRO A 30 21.755 -11.001 -7.285 1.00 30.43 H new ATOM 0 HD3 PRO A 30 23.315 -11.741 -7.586 1.00 30.43 H new ATOM 459 N ASN A 31 19.699 -14.478 -4.389 1.00 42.21 N ATOM 460 CA ASN A 31 18.319 -14.520 -3.937 1.00 54.23 C ATOM 461 C ASN A 31 18.105 -13.446 -2.868 1.00 24.12 C ATOM 462 O ASN A 31 19.066 -12.916 -2.313 1.00 22.02 O ATOM 463 CB ASN A 31 17.984 -15.878 -3.317 1.00 1.42 C ATOM 464 CG ASN A 31 16.506 -16.222 -3.517 1.00 33.11 C ATOM 465 OD1 ASN A 31 15.614 -15.465 -3.172 1.00 34.33 O ATOM 466 ND2 ASN A 31 16.299 -17.404 -4.091 1.00 24.23 N ATOM 0 H ASN A 31 20.291 -15.224 -4.023 1.00 42.21 H new ATOM 0 HA ASN A 31 17.675 -14.349 -4.800 1.00 54.23 H new ATOM 0 HB2 ASN A 31 18.605 -16.651 -3.769 1.00 1.42 H new ATOM 0 HB3 ASN A 31 18.217 -15.863 -2.252 1.00 1.42 H new ATOM 0 HD21 ASN A 31 15.347 -17.726 -4.267 1.00 24.23 H new ATOM 0 HD22 ASN A 31 17.092 -17.989 -4.355 1.00 24.23 H new ATOM 473 N LEU A 32 16.837 -13.157 -2.611 1.00 74.54 N ATOM 474 CA LEU A 32 16.484 -12.157 -1.619 1.00 5.51 C ATOM 475 C LEU A 32 15.461 -12.748 -0.647 1.00 71.53 C ATOM 476 O LEU A 32 14.274 -12.824 -0.961 1.00 22.25 O ATOM 477 CB LEU A 32 16.014 -10.870 -2.299 1.00 14.14 C ATOM 478 CG LEU A 32 16.854 -10.394 -3.487 1.00 30.32 C ATOM 479 CD1 LEU A 32 18.326 -10.251 -3.095 1.00 72.11 C ATOM 480 CD2 LEU A 32 16.668 -11.317 -4.693 1.00 23.23 C ATOM 0 H LEU A 32 16.042 -13.598 -3.073 1.00 74.54 H new ATOM 0 HA LEU A 32 17.359 -11.878 -1.031 1.00 5.51 H new ATOM 0 HB2 LEU A 32 14.989 -11.016 -2.639 1.00 14.14 H new ATOM 0 HB3 LEU A 32 15.992 -10.075 -1.553 1.00 14.14 H new ATOM 0 HG LEU A 32 16.502 -9.405 -3.781 1.00 30.32 H new ATOM 0 HD11 LEU A 32 18.901 -9.912 -3.957 1.00 72.11 H new ATOM 0 HD12 LEU A 32 18.419 -9.524 -2.288 1.00 72.11 H new ATOM 0 HD13 LEU A 32 18.709 -11.215 -2.761 1.00 72.11 H new ATOM 0 HD21 LEU A 32 17.275 -10.957 -5.524 1.00 23.23 H new ATOM 0 HD22 LEU A 32 16.978 -12.328 -4.429 1.00 23.23 H new ATOM 0 HD23 LEU A 32 15.618 -11.324 -4.987 1.00 23.23 H new ATOM 492 N HIS A 33 15.958 -13.151 0.513 1.00 14.50 N ATOM 493 CA HIS A 33 15.102 -13.732 1.533 1.00 13.44 C ATOM 494 C HIS A 33 15.005 -12.779 2.726 1.00 62.54 C ATOM 495 O HIS A 33 13.963 -12.167 2.953 1.00 23.12 O ATOM 496 CB HIS A 33 15.595 -15.127 1.926 1.00 5.43 C ATOM 497 CG HIS A 33 14.947 -15.678 3.174 1.00 22.13 C ATOM 498 ND1 HIS A 33 13.838 -15.272 3.857 1.00 13.25 N flip ATOM 499 CD2 HIS A 33 15.444 -16.776 3.853 1.00 23.11 C flip ATOM 500 CE1 HIS A 33 13.667 -16.078 4.897 1.00 64.43 C flip ATOM 501 NE2 HIS A 33 14.662 -17.011 4.897 1.00 50.42 N flip ATOM 0 H HIS A 33 16.943 -13.087 0.769 1.00 14.50 H new ATOM 0 HA HIS A 33 14.096 -13.864 1.136 1.00 13.44 H new ATOM 0 HB2 HIS A 33 15.410 -15.813 1.099 1.00 5.43 H new ATOM 0 HB3 HIS A 33 16.674 -15.091 2.075 1.00 5.43 H new ATOM 0 HD2 HIS A 33 16.320 -17.345 3.579 1.00 23.11 H new ATOM 0 HE1 HIS A 33 12.871 -16.007 5.624 1.00 64.43 H new ATOM 0 HE2 HIS A 33 14.783 -17.758 5.580 1.00 50.42 H new ATOM 509 N GLY A 34 16.105 -12.685 3.458 1.00 75.21 N ATOM 510 CA GLY A 34 16.158 -11.818 4.623 1.00 51.24 C ATOM 511 C GLY A 34 16.906 -10.522 4.307 1.00 41.32 C ATOM 512 O GLY A 34 17.500 -9.912 5.195 1.00 23.54 O ATOM 0 H GLY A 34 16.967 -13.195 3.267 1.00 75.21 H new ATOM 0 HA2 GLY A 34 15.146 -11.586 4.955 1.00 51.24 H new ATOM 0 HA3 GLY A 34 16.652 -12.336 5.445 1.00 51.24 H new ATOM 516 N LEU A 35 16.852 -10.138 3.040 1.00 32.14 N ATOM 517 CA LEU A 35 17.517 -8.925 2.597 1.00 14.33 C ATOM 518 C LEU A 35 17.326 -7.830 3.648 1.00 14.32 C ATOM 519 O LEU A 35 18.280 -7.150 4.022 1.00 23.33 O ATOM 520 CB LEU A 35 17.033 -8.528 1.201 1.00 1.34 C ATOM 521 CG LEU A 35 17.342 -7.095 0.766 1.00 70.13 C ATOM 522 CD1 LEU A 35 18.715 -7.008 0.097 1.00 23.22 C ATOM 523 CD2 LEU A 35 16.232 -6.542 -0.131 1.00 20.03 C ATOM 0 H LEU A 35 16.358 -10.646 2.306 1.00 32.14 H new ATOM 0 HA LEU A 35 18.590 -9.092 2.502 1.00 14.33 H new ATOM 0 HB2 LEU A 35 17.478 -9.210 0.476 1.00 1.34 H new ATOM 0 HB3 LEU A 35 15.954 -8.675 1.157 1.00 1.34 H new ATOM 0 HG LEU A 35 17.378 -6.469 1.657 1.00 70.13 H new ATOM 0 HD11 LEU A 35 18.909 -5.978 -0.202 1.00 23.22 H new ATOM 0 HD12 LEU A 35 19.483 -7.333 0.799 1.00 23.22 H new ATOM 0 HD13 LEU A 35 18.732 -7.651 -0.783 1.00 23.22 H new ATOM 0 HD21 LEU A 35 16.477 -5.522 -0.426 1.00 20.03 H new ATOM 0 HD22 LEU A 35 16.139 -7.165 -1.021 1.00 20.03 H new ATOM 0 HD23 LEU A 35 15.288 -6.545 0.414 1.00 20.03 H new ATOM 535 N PHE A 36 16.086 -7.693 4.094 1.00 5.35 N ATOM 536 CA PHE A 36 15.757 -6.692 5.095 1.00 22.24 C ATOM 537 C PHE A 36 16.178 -7.154 6.492 1.00 61.41 C ATOM 538 O PHE A 36 15.361 -7.667 7.253 1.00 2.04 O ATOM 539 CB PHE A 36 14.237 -6.514 5.067 1.00 52.13 C ATOM 540 CG PHE A 36 13.755 -5.442 4.088 1.00 23.51 C ATOM 541 CD1 PHE A 36 13.839 -5.658 2.747 1.00 33.42 C ATOM 542 CD2 PHE A 36 13.241 -4.273 4.557 1.00 23.43 C ATOM 543 CE1 PHE A 36 13.392 -4.663 1.838 1.00 1.43 C ATOM 544 CE2 PHE A 36 12.793 -3.279 3.648 1.00 12.33 C ATOM 545 CZ PHE A 36 12.878 -3.494 2.307 1.00 2.54 C ATOM 0 H PHE A 36 15.297 -8.258 3.781 1.00 5.35 H new ATOM 0 HA PHE A 36 16.280 -5.761 4.876 1.00 22.24 H new ATOM 0 HB2 PHE A 36 13.775 -7.466 4.805 1.00 52.13 H new ATOM 0 HB3 PHE A 36 13.893 -6.258 6.069 1.00 52.13 H new ATOM 0 HD1 PHE A 36 14.246 -6.586 2.374 1.00 33.42 H new ATOM 0 HD2 PHE A 36 13.174 -4.101 5.621 1.00 23.43 H new ATOM 0 HE1 PHE A 36 13.460 -4.834 0.774 1.00 1.43 H new ATOM 0 HE2 PHE A 36 12.384 -2.351 4.021 1.00 12.33 H new ATOM 0 HZ PHE A 36 12.538 -2.737 1.616 1.00 2.54 H new ATOM 555 N GLY A 37 17.455 -6.954 6.786 1.00 15.13 N ATOM 556 CA GLY A 37 17.995 -7.344 8.077 1.00 44.23 C ATOM 557 C GLY A 37 19.394 -7.947 7.927 1.00 13.23 C ATOM 558 O GLY A 37 20.107 -8.123 8.914 1.00 33.14 O ATOM 0 H GLY A 37 18.131 -6.527 6.152 1.00 15.13 H new ATOM 0 HA2 GLY A 37 18.038 -6.476 8.735 1.00 44.23 H new ATOM 0 HA3 GLY A 37 17.331 -8.069 8.549 1.00 44.23 H new ATOM 562 N ARG A 38 19.744 -8.246 6.686 1.00 71.12 N ATOM 563 CA ARG A 38 21.045 -8.826 6.394 1.00 72.15 C ATOM 564 C ARG A 38 22.025 -7.736 5.954 1.00 53.24 C ATOM 565 O ARG A 38 21.616 -6.714 5.405 1.00 74.14 O ATOM 566 CB ARG A 38 20.943 -9.884 5.294 1.00 13.11 C ATOM 567 CG ARG A 38 20.820 -9.232 3.915 1.00 61.12 C ATOM 568 CD ARG A 38 20.733 -10.291 2.814 1.00 23.15 C ATOM 569 NE ARG A 38 19.837 -11.390 3.238 1.00 44.20 N ATOM 570 CZ ARG A 38 19.921 -12.655 2.775 1.00 15.22 C ATOM 571 NH1 ARG A 38 20.861 -12.992 1.868 1.00 2.45 N ATOM 572 NH2 ARG A 38 19.069 -13.558 3.224 1.00 43.34 N1+ ATOM 0 H ARG A 38 19.150 -8.098 5.870 1.00 71.12 H new ATOM 0 HA ARG A 38 21.408 -9.301 7.306 1.00 72.15 H new ATOM 0 HB2 ARG A 38 21.824 -10.526 5.319 1.00 13.11 H new ATOM 0 HB3 ARG A 38 20.078 -10.522 5.477 1.00 13.11 H new ATOM 0 HG2 ARG A 38 19.934 -8.598 3.886 1.00 61.12 H new ATOM 0 HG3 ARG A 38 21.680 -8.586 3.736 1.00 61.12 H new ATOM 0 HD2 ARG A 38 20.360 -9.841 1.894 1.00 23.15 H new ATOM 0 HD3 ARG A 38 21.726 -10.684 2.597 1.00 23.15 H new ATOM 0 HE ARG A 38 19.111 -11.178 3.923 1.00 44.20 H new ATOM 0 HH11 ARG A 38 21.516 -12.288 1.527 1.00 2.45 H new ATOM 0 HH12 ARG A 38 20.917 -13.950 1.524 1.00 2.45 H new ATOM 0 HH21 ARG A 38 18.362 -13.295 3.910 1.00 43.34 H new ATOM 0 HH22 ARG A 38 19.118 -14.519 2.885 1.00 43.34 H new ATOM 585 N LYS A 39 23.299 -7.991 6.212 1.00 1.25 N ATOM 586 CA LYS A 39 24.339 -7.044 5.848 1.00 23.04 C ATOM 587 C LYS A 39 24.676 -7.207 4.365 1.00 30.04 C ATOM 588 O LYS A 39 24.228 -8.156 3.724 1.00 3.20 O ATOM 589 CB LYS A 39 25.549 -7.197 6.774 1.00 65.41 C ATOM 590 CG LYS A 39 26.308 -5.876 6.906 1.00 52.45 C ATOM 591 CD LYS A 39 27.160 -5.857 8.177 1.00 54.13 C ATOM 592 CE LYS A 39 27.145 -4.472 8.826 1.00 12.24 C ATOM 593 NZ LYS A 39 28.405 -4.232 9.564 1.00 2.13 N1+ ATOM 0 H LYS A 39 23.635 -8.839 6.668 1.00 1.25 H new ATOM 0 HA LYS A 39 23.988 -6.021 5.984 1.00 23.04 H new ATOM 0 HB2 LYS A 39 25.219 -7.531 7.758 1.00 65.41 H new ATOM 0 HB3 LYS A 39 26.215 -7.966 6.384 1.00 65.41 H new ATOM 0 HG2 LYS A 39 26.946 -5.730 6.034 1.00 52.45 H new ATOM 0 HG3 LYS A 39 25.601 -5.047 6.926 1.00 52.45 H new ATOM 0 HD2 LYS A 39 26.783 -6.597 8.883 1.00 54.13 H new ATOM 0 HD3 LYS A 39 28.185 -6.139 7.936 1.00 54.13 H new ATOM 0 HE2 LYS A 39 27.013 -3.707 8.061 1.00 12.24 H new ATOM 0 HE3 LYS A 39 26.297 -4.392 9.506 1.00 12.24 H new ATOM 0 HZ1 LYS A 39 28.378 -3.287 9.998 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 28.515 -4.952 10.307 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 29.209 -4.288 8.906 1.00 2.13 H new ATOM 606 N THR A 40 25.463 -6.266 3.863 1.00 35.13 N ATOM 607 CA THR A 40 25.864 -6.293 2.467 1.00 75.44 C ATOM 608 C THR A 40 26.950 -7.347 2.244 1.00 43.11 C ATOM 609 O THR A 40 28.084 -7.179 2.691 1.00 72.31 O ATOM 610 CB THR A 40 26.299 -4.880 2.073 1.00 74.21 C ATOM 611 OG1 THR A 40 26.989 -4.396 3.221 1.00 42.25 O ATOM 612 CG2 THR A 40 25.114 -3.924 1.920 1.00 52.34 C ATOM 0 H THR A 40 25.833 -5.481 4.398 1.00 35.13 H new ATOM 0 HA THR A 40 25.035 -6.585 1.823 1.00 75.44 H new ATOM 0 HB THR A 40 26.857 -4.920 1.137 1.00 74.21 H new ATOM 0 HG1 THR A 40 27.622 -5.076 3.533 1.00 42.25 H new ATOM 0 HG21 THR A 40 25.478 -2.935 1.640 1.00 52.34 H new ATOM 0 HG22 THR A 40 24.443 -4.297 1.146 1.00 52.34 H new ATOM 0 HG23 THR A 40 24.575 -3.858 2.865 1.00 52.34 H new ATOM 620 N GLY A 41 26.566 -8.411 1.555 1.00 61.55 N ATOM 621 CA GLY A 41 27.493 -9.493 1.268 1.00 62.50 C ATOM 622 C GLY A 41 27.486 -10.533 2.390 1.00 21.13 C ATOM 623 O GLY A 41 28.540 -10.915 2.895 1.00 23.11 O ATOM 0 H GLY A 41 25.625 -8.547 1.187 1.00 61.55 H new ATOM 0 HA2 GLY A 41 27.222 -9.968 0.325 1.00 62.50 H new ATOM 0 HA3 GLY A 41 28.499 -9.092 1.145 1.00 62.50 H new ATOM 627 N GLN A 42 26.284 -10.962 2.748 1.00 20.11 N ATOM 628 CA GLN A 42 26.126 -11.951 3.801 1.00 50.44 C ATOM 629 C GLN A 42 25.563 -13.253 3.227 1.00 23.41 C ATOM 630 O GLN A 42 25.604 -14.293 3.882 1.00 22.22 O ATOM 631 CB GLN A 42 25.234 -11.417 4.925 1.00 22.15 C ATOM 632 CG GLN A 42 25.972 -10.369 5.760 1.00 43.33 C ATOM 633 CD GLN A 42 27.086 -11.014 6.588 1.00 74.22 C ATOM 634 OE1 GLN A 42 26.854 -11.628 7.616 1.00 53.24 O ATOM 635 NE2 GLN A 42 28.305 -10.839 6.084 1.00 55.35 N ATOM 0 H GLN A 42 25.411 -10.643 2.328 1.00 20.11 H new ATOM 0 HA GLN A 42 27.107 -12.159 4.227 1.00 50.44 H new ATOM 0 HB2 GLN A 42 24.331 -10.979 4.500 1.00 22.15 H new ATOM 0 HB3 GLN A 42 24.918 -12.240 5.565 1.00 22.15 H new ATOM 0 HG2 GLN A 42 26.395 -9.608 5.104 1.00 43.33 H new ATOM 0 HG3 GLN A 42 25.268 -9.864 6.421 1.00 43.33 H new ATOM 0 HE21 GLN A 42 28.428 -10.314 5.218 1.00 55.35 H new ATOM 0 HE22 GLN A 42 29.116 -11.230 6.563 1.00 55.35 H new ATOM 644 N ALA A 43 25.053 -13.152 2.008 1.00 70.23 N ATOM 645 CA ALA A 43 24.483 -14.310 1.338 1.00 30.12 C ATOM 646 C ALA A 43 25.347 -15.539 1.631 1.00 64.14 C ATOM 647 O ALA A 43 26.389 -15.733 1.007 1.00 13.20 O ATOM 648 CB ALA A 43 24.365 -14.025 -0.160 1.00 22.12 C ATOM 0 H ALA A 43 25.022 -12.288 1.467 1.00 70.23 H new ATOM 0 HA ALA A 43 23.480 -14.515 1.711 1.00 30.12 H new ATOM 0 HB1 ALA A 43 23.938 -14.893 -0.663 1.00 22.12 H new ATOM 0 HB2 ALA A 43 23.719 -13.161 -0.316 1.00 22.12 H new ATOM 0 HB3 ALA A 43 25.354 -13.818 -0.570 1.00 22.12 H new ATOM 654 N PRO A 44 24.869 -16.358 2.605 1.00 21.12 N ATOM 655 CA PRO A 44 25.584 -17.563 2.988 1.00 3.52 C ATOM 656 C PRO A 44 25.414 -18.660 1.935 1.00 70.11 C ATOM 657 O PRO A 44 24.693 -19.631 2.156 1.00 13.44 O ATOM 658 CB PRO A 44 25.011 -17.947 4.343 1.00 43.33 C ATOM 659 CG PRO A 44 23.683 -17.218 4.455 1.00 50.30 C ATOM 660 CD PRO A 44 23.637 -16.160 3.365 1.00 14.51 C ATOM 0 HA PRO A 44 26.661 -17.409 3.055 1.00 3.52 H new ATOM 0 HB2 PRO A 44 24.872 -19.026 4.417 1.00 43.33 H new ATOM 0 HB3 PRO A 44 25.685 -17.657 5.149 1.00 43.33 H new ATOM 0 HG2 PRO A 44 22.854 -17.917 4.344 1.00 50.30 H new ATOM 0 HG3 PRO A 44 23.582 -16.758 5.438 1.00 50.30 H new ATOM 0 HD2 PRO A 44 22.758 -16.281 2.732 1.00 14.51 H new ATOM 0 HD3 PRO A 44 23.590 -15.157 3.788 1.00 14.51 H new ATOM 668 N GLY A 45 26.091 -18.467 0.812 1.00 63.41 N ATOM 669 CA GLY A 45 26.024 -19.428 -0.275 1.00 62.30 C ATOM 670 C GLY A 45 26.693 -18.875 -1.536 1.00 51.31 C ATOM 671 O GLY A 45 27.523 -19.547 -2.148 1.00 1.41 O ATOM 0 H GLY A 45 26.688 -17.660 0.632 1.00 63.41 H new ATOM 0 HA2 GLY A 45 26.513 -20.355 0.024 1.00 62.30 H new ATOM 0 HA3 GLY A 45 24.983 -19.670 -0.488 1.00 62.30 H new ATOM 675 N TYR A 46 26.307 -17.659 -1.888 1.00 31.42 N ATOM 676 CA TYR A 46 26.858 -17.008 -3.064 1.00 33.33 C ATOM 677 C TYR A 46 27.520 -15.679 -2.697 1.00 21.45 C ATOM 678 O TYR A 46 26.914 -14.618 -2.841 1.00 53.01 O ATOM 679 CB TYR A 46 25.671 -16.734 -3.990 1.00 11.41 C ATOM 680 CG TYR A 46 26.069 -16.264 -5.390 1.00 3.21 C ATOM 681 CD1 TYR A 46 27.176 -16.805 -6.011 1.00 70.24 C ATOM 682 CD2 TYR A 46 25.321 -15.298 -6.032 1.00 42.12 C ATOM 683 CE1 TYR A 46 27.551 -16.363 -7.329 1.00 41.12 C ATOM 684 CE2 TYR A 46 25.697 -14.854 -7.350 1.00 4.30 C ATOM 685 CZ TYR A 46 26.793 -15.409 -7.933 1.00 64.21 C ATOM 686 OH TYR A 46 27.147 -14.990 -9.178 1.00 73.20 O ATOM 0 H TYR A 46 25.618 -17.106 -1.379 1.00 31.42 H new ATOM 0 HA TYR A 46 27.616 -17.638 -3.530 1.00 33.33 H new ATOM 0 HB2 TYR A 46 25.075 -17.643 -4.079 1.00 11.41 H new ATOM 0 HB3 TYR A 46 25.033 -15.978 -3.532 1.00 11.41 H new ATOM 0 HD1 TYR A 46 27.762 -17.560 -5.508 1.00 70.24 H new ATOM 0 HD2 TYR A 46 24.454 -14.875 -5.546 1.00 42.12 H new ATOM 0 HE1 TYR A 46 28.414 -16.779 -7.827 1.00 41.12 H new ATOM 0 HE2 TYR A 46 25.122 -14.098 -7.863 1.00 4.30 H new ATOM 0 HH TYR A 46 26.515 -14.307 -9.485 1.00 73.20 H new ATOM 696 N SER A 47 28.755 -15.779 -2.229 1.00 61.13 N ATOM 697 CA SER A 47 29.507 -14.597 -1.841 1.00 50.02 C ATOM 698 C SER A 47 29.578 -13.614 -3.010 1.00 61.25 C ATOM 699 O SER A 47 29.927 -13.996 -4.127 1.00 74.42 O ATOM 700 CB SER A 47 30.915 -14.969 -1.373 1.00 64.01 C ATOM 701 OG SER A 47 31.653 -15.646 -2.388 1.00 62.20 O ATOM 0 H SER A 47 29.254 -16.660 -2.109 1.00 61.13 H new ATOM 0 HA SER A 47 28.990 -14.122 -1.007 1.00 50.02 H new ATOM 0 HB2 SER A 47 31.449 -14.066 -1.077 1.00 64.01 H new ATOM 0 HB3 SER A 47 30.848 -15.603 -0.489 1.00 64.01 H new ATOM 0 HG SER A 47 31.254 -15.458 -3.263 1.00 62.20 H new ATOM 707 N TYR A 48 29.243 -12.368 -2.715 1.00 23.43 N ATOM 708 CA TYR A 48 29.264 -11.326 -3.728 1.00 51.03 C ATOM 709 C TYR A 48 30.687 -10.809 -3.952 1.00 50.11 C ATOM 710 O TYR A 48 31.640 -11.336 -3.380 1.00 44.52 O ATOM 711 CB TYR A 48 28.401 -10.188 -3.181 1.00 20.35 C ATOM 712 CG TYR A 48 27.006 -10.626 -2.731 1.00 25.13 C ATOM 713 CD1 TYR A 48 26.510 -11.854 -3.117 1.00 3.33 C ATOM 714 CD2 TYR A 48 26.243 -9.792 -1.939 1.00 40.21 C ATOM 715 CE1 TYR A 48 25.197 -12.267 -2.694 1.00 31.53 C ATOM 716 CE2 TYR A 48 24.930 -10.204 -1.515 1.00 74.50 C ATOM 717 CZ TYR A 48 24.472 -11.421 -1.914 1.00 31.14 C ATOM 718 OH TYR A 48 23.232 -11.811 -1.513 1.00 23.04 O ATOM 0 H TYR A 48 28.955 -12.055 -1.788 1.00 23.43 H new ATOM 0 HA TYR A 48 28.896 -11.709 -4.680 1.00 51.03 H new ATOM 0 HB2 TYR A 48 28.916 -9.728 -2.337 1.00 20.35 H new ATOM 0 HB3 TYR A 48 28.300 -9.421 -3.949 1.00 20.35 H new ATOM 0 HD1 TYR A 48 27.107 -12.506 -3.737 1.00 3.33 H new ATOM 0 HD2 TYR A 48 26.631 -8.830 -1.637 1.00 40.21 H new ATOM 0 HE1 TYR A 48 24.797 -13.226 -2.989 1.00 31.53 H new ATOM 0 HE2 TYR A 48 24.323 -9.562 -0.894 1.00 74.50 H new ATOM 0 HH TYR A 48 22.831 -11.108 -0.961 1.00 23.04 H new ATOM 728 N THR A 49 30.786 -9.784 -4.786 1.00 5.20 N ATOM 729 CA THR A 49 32.075 -9.190 -5.093 1.00 43.03 C ATOM 730 C THR A 49 32.592 -8.391 -3.895 1.00 11.41 C ATOM 731 O THR A 49 31.939 -8.330 -2.855 1.00 40.24 O ATOM 732 CB THR A 49 31.918 -8.349 -6.362 1.00 0.23 C ATOM 733 OG1 THR A 49 30.817 -7.493 -6.077 1.00 65.43 O ATOM 734 CG2 THR A 49 31.447 -9.178 -7.558 1.00 63.33 C ATOM 0 H THR A 49 29.993 -9.350 -5.259 1.00 5.20 H new ATOM 0 HA THR A 49 32.828 -9.955 -5.284 1.00 43.03 H new ATOM 0 HB THR A 49 32.869 -7.873 -6.602 1.00 0.23 H new ATOM 0 HG1 THR A 49 30.647 -6.911 -6.847 1.00 65.43 H new ATOM 0 HG21 THR A 49 31.352 -8.534 -8.432 1.00 63.33 H new ATOM 0 HG22 THR A 49 32.173 -9.964 -7.764 1.00 63.33 H new ATOM 0 HG23 THR A 49 30.480 -9.627 -7.331 1.00 63.33 H new ATOM 742 N ALA A 50 33.763 -7.798 -4.081 1.00 63.11 N ATOM 743 CA ALA A 50 34.376 -7.006 -3.029 1.00 4.40 C ATOM 744 C ALA A 50 33.880 -5.562 -3.128 1.00 24.52 C ATOM 745 O ALA A 50 34.432 -4.666 -2.492 1.00 65.45 O ATOM 746 CB ALA A 50 35.899 -7.107 -3.135 1.00 22.44 C ATOM 0 H ALA A 50 34.303 -7.851 -4.945 1.00 63.11 H new ATOM 0 HA ALA A 50 34.091 -7.386 -2.048 1.00 4.40 H new ATOM 0 HB1 ALA A 50 36.359 -6.513 -2.346 1.00 22.44 H new ATOM 0 HB2 ALA A 50 36.203 -8.148 -3.029 1.00 22.44 H new ATOM 0 HB3 ALA A 50 36.222 -6.732 -4.106 1.00 22.44 H new ATOM 752 N ALA A 51 32.842 -5.381 -3.931 1.00 22.13 N ATOM 753 CA ALA A 51 32.264 -4.062 -4.123 1.00 24.51 C ATOM 754 C ALA A 51 31.059 -3.897 -3.194 1.00 32.14 C ATOM 755 O ALA A 51 30.846 -2.825 -2.632 1.00 53.32 O ATOM 756 CB ALA A 51 31.894 -3.874 -5.596 1.00 73.13 C ATOM 0 H ALA A 51 32.386 -6.127 -4.457 1.00 22.13 H new ATOM 0 HA ALA A 51 32.986 -3.287 -3.867 1.00 24.51 H new ATOM 0 HB1 ALA A 51 31.460 -2.884 -5.739 1.00 73.13 H new ATOM 0 HB2 ALA A 51 32.789 -3.970 -6.211 1.00 73.13 H new ATOM 0 HB3 ALA A 51 31.169 -4.633 -5.889 1.00 73.13 H new ATOM 762 N ASN A 52 30.303 -4.977 -3.062 1.00 72.12 N ATOM 763 CA ASN A 52 29.125 -4.967 -2.212 1.00 72.03 C ATOM 764 C ASN A 52 29.457 -5.640 -0.878 1.00 44.33 C ATOM 765 O ASN A 52 28.758 -5.441 0.113 1.00 21.23 O ATOM 766 CB ASN A 52 27.973 -5.739 -2.857 1.00 71.24 C ATOM 767 CG ASN A 52 26.679 -5.560 -2.061 1.00 1.21 C ATOM 768 OD1 ASN A 52 25.816 -4.767 -2.399 1.00 10.34 O ATOM 769 ND2 ASN A 52 26.592 -6.340 -0.987 1.00 51.41 N ATOM 0 H ASN A 52 30.484 -5.865 -3.530 1.00 72.12 H new ATOM 0 HA ASN A 52 28.826 -3.929 -2.064 1.00 72.03 H new ATOM 0 HB2 ASN A 52 27.826 -5.392 -3.880 1.00 71.24 H new ATOM 0 HB3 ASN A 52 28.226 -6.798 -2.913 1.00 71.24 H new ATOM 0 HD21 ASN A 52 25.766 -6.296 -0.390 1.00 51.41 H new ATOM 0 HD22 ASN A 52 27.351 -6.983 -0.761 1.00 51.41 H new ATOM 776 N LYS A 53 30.526 -6.424 -0.898 1.00 31.33 N ATOM 777 CA LYS A 53 30.960 -7.128 0.296 1.00 23.25 C ATOM 778 C LYS A 53 31.661 -6.144 1.236 1.00 40.10 C ATOM 779 O LYS A 53 31.637 -6.321 2.454 1.00 44.44 O ATOM 780 CB LYS A 53 31.818 -8.338 -0.078 1.00 41.40 C ATOM 781 CG LYS A 53 32.296 -9.079 1.174 1.00 75.03 C ATOM 782 CD LYS A 53 33.536 -9.921 0.872 1.00 74.12 C ATOM 783 CE LYS A 53 33.717 -11.025 1.916 1.00 55.52 C ATOM 784 NZ LYS A 53 32.480 -11.826 2.042 1.00 13.54 N1+ ATOM 0 H LYS A 53 31.104 -6.587 -1.723 1.00 31.33 H new ATOM 0 HA LYS A 53 30.102 -7.529 0.835 1.00 23.25 H new ATOM 0 HB2 LYS A 53 31.242 -9.016 -0.709 1.00 41.40 H new ATOM 0 HB3 LYS A 53 32.678 -8.012 -0.663 1.00 41.40 H new ATOM 0 HG2 LYS A 53 32.523 -8.361 1.962 1.00 75.03 H new ATOM 0 HG3 LYS A 53 31.498 -9.721 1.548 1.00 75.03 H new ATOM 0 HD2 LYS A 53 33.446 -10.365 -0.120 1.00 74.12 H new ATOM 0 HD3 LYS A 53 34.419 -9.282 0.856 1.00 74.12 H new ATOM 0 HE2 LYS A 53 34.548 -11.670 1.631 1.00 55.52 H new ATOM 0 HE3 LYS A 53 33.972 -10.584 2.880 1.00 55.52 H new ATOM 0 HZ1 LYS A 53 32.723 -12.800 2.314 1.00 13.54 H new ATOM 0 HZ2 LYS A 53 31.867 -11.406 2.770 1.00 13.54 H new ATOM 0 HZ3 LYS A 53 31.978 -11.836 1.131 1.00 13.54 H new ATOM 797 N ASN A 54 32.267 -5.131 0.636 1.00 32.11 N ATOM 798 CA ASN A 54 32.972 -4.120 1.405 1.00 62.53 C ATOM 799 C ASN A 54 31.956 -3.239 2.136 1.00 21.52 C ATOM 800 O ASN A 54 32.260 -2.672 3.183 1.00 54.24 O ATOM 801 CB ASN A 54 33.808 -3.219 0.494 1.00 4.13 C ATOM 802 CG ASN A 54 32.913 -2.309 -0.350 1.00 23.22 C ATOM 803 OD1 ASN A 54 32.095 -1.558 0.157 1.00 64.31 O ATOM 804 ND2 ASN A 54 33.112 -2.415 -1.660 1.00 31.23 N ATOM 0 H ASN A 54 32.285 -4.988 -0.374 1.00 32.11 H new ATOM 0 HA ASN A 54 33.628 -4.630 2.110 1.00 62.53 H new ATOM 0 HB2 ASN A 54 34.483 -2.612 1.097 1.00 4.13 H new ATOM 0 HB3 ASN A 54 34.428 -3.832 -0.160 1.00 4.13 H new ATOM 0 HD21 ASN A 54 32.564 -1.848 -2.307 1.00 31.23 H new ATOM 0 HD22 ASN A 54 33.813 -3.063 -2.019 1.00 31.23 H new ATOM 811 N LYS A 55 30.768 -3.153 1.553 1.00 3.10 N ATOM 812 CA LYS A 55 29.706 -2.352 2.136 1.00 52.01 C ATOM 813 C LYS A 55 29.458 -2.810 3.574 1.00 71.13 C ATOM 814 O LYS A 55 29.772 -3.945 3.931 1.00 34.34 O ATOM 815 CB LYS A 55 28.457 -2.395 1.253 1.00 61.43 C ATOM 816 CG LYS A 55 28.478 -1.266 0.220 1.00 35.11 C ATOM 817 CD LYS A 55 28.577 0.100 0.901 1.00 31.33 C ATOM 818 CE LYS A 55 27.972 1.197 0.022 1.00 31.13 C ATOM 819 NZ LYS A 55 28.653 2.488 0.263 1.00 40.52 N1+ ATOM 0 H LYS A 55 30.519 -3.625 0.684 1.00 3.10 H new ATOM 0 HA LYS A 55 30.001 -1.304 2.182 1.00 52.01 H new ATOM 0 HB2 LYS A 55 28.400 -3.357 0.744 1.00 61.43 H new ATOM 0 HB3 LYS A 55 27.565 -2.309 1.874 1.00 61.43 H new ATOM 0 HG2 LYS A 55 29.323 -1.402 -0.455 1.00 35.11 H new ATOM 0 HG3 LYS A 55 27.574 -1.308 -0.388 1.00 35.11 H new ATOM 0 HD2 LYS A 55 28.059 0.071 1.860 1.00 31.33 H new ATOM 0 HD3 LYS A 55 29.622 0.331 1.110 1.00 31.33 H new ATOM 0 HE2 LYS A 55 28.064 0.921 -1.029 1.00 31.13 H new ATOM 0 HE3 LYS A 55 26.907 1.295 0.234 1.00 31.13 H new ATOM 0 HZ1 LYS A 55 28.230 3.221 -0.341 1.00 40.52 H new ATOM 0 HZ2 LYS A 55 28.544 2.757 1.262 1.00 40.52 H new ATOM 0 HZ3 LYS A 55 29.664 2.394 0.038 1.00 40.52 H new ATOM 832 N GLY A 56 28.897 -1.904 4.362 1.00 14.34 N ATOM 833 CA GLY A 56 28.604 -2.201 5.754 1.00 1.53 C ATOM 834 C GLY A 56 27.234 -1.650 6.154 1.00 71.44 C ATOM 835 O GLY A 56 26.935 -1.521 7.342 1.00 74.10 O ATOM 0 H GLY A 56 28.638 -0.964 4.063 1.00 14.34 H new ATOM 0 HA2 GLY A 56 28.627 -3.279 5.912 1.00 1.53 H new ATOM 0 HA3 GLY A 56 29.375 -1.769 6.392 1.00 1.53 H new ATOM 839 N ILE A 57 26.438 -1.336 5.143 1.00 74.01 N ATOM 840 CA ILE A 57 25.107 -0.801 5.375 1.00 43.32 C ATOM 841 C ILE A 57 24.104 -1.955 5.449 1.00 62.24 C ATOM 842 O ILE A 57 24.477 -3.117 5.300 1.00 3.42 O ATOM 843 CB ILE A 57 24.760 0.249 4.318 1.00 40.53 C ATOM 844 CG1 ILE A 57 24.596 -0.395 2.940 1.00 32.54 C ATOM 845 CG2 ILE A 57 25.794 1.376 4.305 1.00 3.00 C ATOM 846 CD1 ILE A 57 23.152 -0.851 2.716 1.00 32.33 C ATOM 0 H ILE A 57 26.689 -1.442 4.160 1.00 74.01 H new ATOM 0 HA ILE A 57 25.067 -0.281 6.332 1.00 43.32 H new ATOM 0 HB ILE A 57 23.801 0.696 4.581 1.00 40.53 H new ATOM 0 HG12 ILE A 57 24.880 0.317 2.166 1.00 32.54 H new ATOM 0 HG13 ILE A 57 25.269 -1.248 2.851 1.00 32.54 H new ATOM 0 HG21 ILE A 57 25.524 2.109 3.545 1.00 3.00 H new ATOM 0 HG22 ILE A 57 25.818 1.859 5.282 1.00 3.00 H new ATOM 0 HG23 ILE A 57 26.778 0.965 4.079 1.00 3.00 H new ATOM 0 HD11 ILE A 57 23.063 -1.305 1.729 1.00 32.33 H new ATOM 0 HD12 ILE A 57 22.879 -1.581 3.478 1.00 32.33 H new ATOM 0 HD13 ILE A 57 22.485 0.008 2.782 1.00 32.33 H new ATOM 858 N ILE A 58 22.850 -1.593 5.680 1.00 34.44 N ATOM 859 CA ILE A 58 21.791 -2.582 5.775 1.00 71.13 C ATOM 860 C ILE A 58 20.792 -2.366 4.637 1.00 61.15 C ATOM 861 O ILE A 58 20.386 -1.236 4.370 1.00 1.32 O ATOM 862 CB ILE A 58 21.155 -2.554 7.167 1.00 10.41 C ATOM 863 CG1 ILE A 58 22.216 -2.705 8.259 1.00 53.34 C ATOM 864 CG2 ILE A 58 20.053 -3.608 7.287 1.00 13.54 C ATOM 865 CD1 ILE A 58 22.861 -4.092 8.207 1.00 42.52 C ATOM 0 H ILE A 58 22.544 -0.628 5.804 1.00 34.44 H new ATOM 0 HA ILE A 58 22.197 -3.587 5.655 1.00 71.13 H new ATOM 0 HB ILE A 58 20.686 -1.580 7.309 1.00 10.41 H new ATOM 0 HG12 ILE A 58 22.982 -1.939 8.136 1.00 53.34 H new ATOM 0 HG13 ILE A 58 21.762 -2.547 9.237 1.00 53.34 H new ATOM 0 HG21 ILE A 58 19.618 -3.567 8.285 1.00 13.54 H new ATOM 0 HG22 ILE A 58 19.279 -3.411 6.545 1.00 13.54 H new ATOM 0 HG23 ILE A 58 20.476 -4.598 7.116 1.00 13.54 H new ATOM 0 HD11 ILE A 58 23.612 -4.174 8.993 1.00 42.52 H new ATOM 0 HD12 ILE A 58 22.096 -4.855 8.354 1.00 42.52 H new ATOM 0 HD13 ILE A 58 23.335 -4.237 7.236 1.00 42.52 H new ATOM 877 N TRP A 59 20.424 -3.466 3.998 1.00 12.43 N ATOM 878 CA TRP A 59 19.480 -3.411 2.894 1.00 31.13 C ATOM 879 C TRP A 59 18.092 -3.131 3.473 1.00 62.44 C ATOM 880 O TRP A 59 17.355 -4.057 3.803 1.00 4.32 O ATOM 881 CB TRP A 59 19.533 -4.694 2.063 1.00 3.14 C ATOM 882 CG TRP A 59 20.731 -4.772 1.114 1.00 60.14 C ATOM 883 CD1 TRP A 59 21.667 -5.729 1.044 1.00 33.12 C ATOM 884 CD2 TRP A 59 21.088 -3.812 0.097 1.00 22.32 C ATOM 885 NE1 TRP A 59 22.595 -5.457 0.060 1.00 43.14 N ATOM 886 CE2 TRP A 59 22.232 -4.254 -0.534 1.00 22.33 C ATOM 887 CE3 TRP A 59 20.462 -2.609 -0.277 1.00 1.23 C ATOM 888 CZ2 TRP A 59 22.851 -3.555 -1.577 1.00 75.24 C ATOM 889 CZ3 TRP A 59 21.093 -1.922 -1.321 1.00 14.52 C ATOM 890 CH2 TRP A 59 22.246 -2.354 -1.966 1.00 62.15 C ATOM 0 H TRP A 59 20.762 -4.401 4.223 1.00 12.43 H new ATOM 0 HA TRP A 59 19.739 -2.607 2.205 1.00 31.13 H new ATOM 0 HB2 TRP A 59 19.560 -5.550 2.737 1.00 3.14 H new ATOM 0 HB3 TRP A 59 18.615 -4.776 1.481 1.00 3.14 H new ATOM 0 HD1 TRP A 59 21.692 -6.603 1.678 1.00 33.12 H new ATOM 0 HE1 TRP A 59 23.400 -6.033 -0.186 1.00 43.14 H new ATOM 0 HE3 TRP A 59 19.566 -2.244 0.203 1.00 1.23 H new ATOM 0 HZ2 TRP A 59 23.747 -3.922 -2.056 1.00 75.24 H new ATOM 0 HZ3 TRP A 59 20.653 -0.991 -1.648 1.00 14.52 H new ATOM 0 HH2 TRP A 59 22.673 -1.765 -2.764 1.00 62.15 H new ATOM 901 N GLY A 60 17.779 -1.848 3.580 1.00 60.12 N ATOM 902 CA GLY A 60 16.493 -1.433 4.113 1.00 61.54 C ATOM 903 C GLY A 60 15.673 -0.691 3.056 1.00 2.44 C ATOM 904 O GLY A 60 15.780 -0.982 1.866 1.00 64.10 O ATOM 0 H GLY A 60 18.394 -1.082 3.306 1.00 60.12 H new ATOM 0 HA2 GLY A 60 15.940 -2.306 4.460 1.00 61.54 H new ATOM 0 HA3 GLY A 60 16.645 -0.788 4.978 1.00 61.54 H new ATOM 908 N GLU A 61 14.875 0.255 3.529 1.00 1.02 N ATOM 909 CA GLU A 61 14.038 1.041 2.637 1.00 43.51 C ATOM 910 C GLU A 61 14.792 2.284 2.160 1.00 54.24 C ATOM 911 O GLU A 61 14.997 2.466 0.960 1.00 64.13 O ATOM 912 CB GLU A 61 12.724 1.427 3.319 1.00 4.31 C ATOM 913 CG GLU A 61 11.647 0.367 3.075 1.00 42.02 C ATOM 914 CD GLU A 61 10.250 0.992 3.083 1.00 40.13 C ATOM 915 OE1 GLU A 61 9.386 0.568 3.864 1.00 42.11 O ATOM 916 OE2 GLU A 61 10.079 1.952 2.238 1.00 53.22 O1- ATOM 0 H GLU A 61 14.790 0.495 4.517 1.00 1.02 H new ATOM 0 HA GLU A 61 13.794 0.431 1.767 1.00 43.51 H new ATOM 0 HB2 GLU A 61 12.887 1.545 4.390 1.00 4.31 H new ATOM 0 HB3 GLU A 61 12.383 2.391 2.941 1.00 4.31 H new ATOM 0 HG2 GLU A 61 11.824 -0.123 2.118 1.00 42.02 H new ATOM 0 HG3 GLU A 61 11.709 -0.403 3.844 1.00 42.02 H new ATOM 924 N ASP A 62 15.186 3.104 3.121 1.00 41.03 N ATOM 925 CA ASP A 62 15.914 4.324 2.813 1.00 11.04 C ATOM 926 C ASP A 62 17.088 3.992 1.891 1.00 64.11 C ATOM 927 O ASP A 62 17.335 4.699 0.915 1.00 4.51 O ATOM 928 CB ASP A 62 16.476 4.966 4.084 1.00 52.14 C ATOM 929 CG ASP A 62 17.311 6.228 3.856 1.00 62.42 C ATOM 930 OD1 ASP A 62 17.700 6.539 2.720 1.00 35.04 O ATOM 931 OD2 ASP A 62 17.564 6.913 4.918 1.00 62.51 O1- ATOM 0 H ASP A 62 15.015 2.949 4.115 1.00 41.03 H new ATOM 0 HA ASP A 62 15.223 5.018 2.334 1.00 11.04 H new ATOM 0 HB2 ASP A 62 15.646 5.212 4.746 1.00 52.14 H new ATOM 0 HB3 ASP A 62 17.091 4.231 4.603 1.00 52.14 H new ATOM 937 N THR A 63 17.782 2.917 2.233 1.00 73.22 N ATOM 938 CA THR A 63 18.926 2.483 1.449 1.00 3.24 C ATOM 939 C THR A 63 18.480 2.052 0.050 1.00 11.02 C ATOM 940 O THR A 63 18.940 2.601 -0.950 1.00 1.20 O ATOM 941 CB THR A 63 19.641 1.377 2.227 1.00 40.22 C ATOM 942 OG1 THR A 63 18.756 0.264 2.141 1.00 4.21 O ATOM 943 CG2 THR A 63 19.723 1.675 3.725 1.00 44.33 C ATOM 0 H THR A 63 17.574 2.333 3.043 1.00 73.22 H new ATOM 0 HA THR A 63 19.632 3.299 1.294 1.00 3.24 H new ATOM 0 HB THR A 63 20.647 1.244 1.828 1.00 40.22 H new ATOM 0 HG1 THR A 63 19.211 -0.482 1.697 1.00 4.21 H new ATOM 0 HG21 THR A 63 20.239 0.859 4.231 1.00 44.33 H new ATOM 0 HG22 THR A 63 20.271 2.604 3.882 1.00 44.33 H new ATOM 0 HG23 THR A 63 18.717 1.775 4.132 1.00 44.33 H new ATOM 951 N LEU A 64 17.589 1.071 0.025 1.00 10.45 N ATOM 952 CA LEU A 64 17.075 0.559 -1.235 1.00 43.40 C ATOM 953 C LEU A 64 16.774 1.730 -2.172 1.00 72.41 C ATOM 954 O LEU A 64 17.166 1.714 -3.337 1.00 42.34 O ATOM 955 CB LEU A 64 15.875 -0.358 -0.991 1.00 75.52 C ATOM 956 CG LEU A 64 16.200 -1.818 -0.673 1.00 12.32 C ATOM 957 CD1 LEU A 64 14.946 -2.577 -0.233 1.00 31.02 C ATOM 958 CD2 LEU A 64 16.893 -2.496 -1.857 1.00 20.25 C ATOM 0 H LEU A 64 17.210 0.617 0.856 1.00 10.45 H new ATOM 0 HA LEU A 64 17.824 -0.060 -1.729 1.00 43.40 H new ATOM 0 HB2 LEU A 64 15.292 0.052 -0.166 1.00 75.52 H new ATOM 0 HB3 LEU A 64 15.238 -0.333 -1.875 1.00 75.52 H new ATOM 0 HG LEU A 64 16.898 -1.837 0.164 1.00 12.32 H new ATOM 0 HD11 LEU A 64 15.206 -3.612 -0.013 1.00 31.02 H new ATOM 0 HD12 LEU A 64 14.532 -2.109 0.660 1.00 31.02 H new ATOM 0 HD13 LEU A 64 14.206 -2.551 -1.032 1.00 31.02 H new ATOM 0 HD21 LEU A 64 17.113 -3.533 -1.604 1.00 20.25 H new ATOM 0 HD22 LEU A 64 16.238 -2.466 -2.728 1.00 20.25 H new ATOM 0 HD23 LEU A 64 17.822 -1.973 -2.083 1.00 20.25 H new ATOM 970 N MET A 65 16.081 2.718 -1.627 1.00 14.04 N ATOM 971 CA MET A 65 15.722 3.896 -2.399 1.00 64.51 C ATOM 972 C MET A 65 16.923 4.420 -3.189 1.00 44.11 C ATOM 973 O MET A 65 16.943 4.349 -4.417 1.00 35.15 O ATOM 974 CB MET A 65 15.214 4.989 -1.458 1.00 75.32 C ATOM 975 CG MET A 65 14.193 5.887 -2.161 1.00 12.54 C ATOM 976 SD MET A 65 12.547 5.240 -1.927 1.00 72.52 S ATOM 977 CE MET A 65 12.114 4.873 -3.619 1.00 71.41 C ATOM 0 H MET A 65 15.758 2.728 -0.660 1.00 14.04 H new ATOM 0 HA MET A 65 14.939 3.620 -3.105 1.00 64.51 H new ATOM 0 HB2 MET A 65 14.759 4.534 -0.578 1.00 75.32 H new ATOM 0 HB3 MET A 65 16.053 5.591 -1.108 1.00 75.32 H new ATOM 0 HG2 MET A 65 14.254 6.900 -1.764 1.00 12.54 H new ATOM 0 HG3 MET A 65 14.421 5.947 -3.225 1.00 12.54 H new ATOM 0 HE1 MET A 65 11.331 4.115 -3.638 1.00 71.41 H new ATOM 0 HE2 MET A 65 11.754 5.779 -4.107 1.00 71.41 H new ATOM 0 HE3 MET A 65 12.992 4.501 -4.147 1.00 71.41 H new ATOM 987 N GLU A 66 17.897 4.935 -2.452 1.00 20.23 N ATOM 988 CA GLU A 66 19.099 5.471 -3.068 1.00 4.35 C ATOM 989 C GLU A 66 19.588 4.537 -4.177 1.00 12.41 C ATOM 990 O GLU A 66 19.717 4.949 -5.328 1.00 31.41 O ATOM 991 CB GLU A 66 20.193 5.703 -2.024 1.00 2.12 C ATOM 992 CG GLU A 66 21.051 6.916 -2.390 1.00 74.21 C ATOM 993 CD GLU A 66 20.498 8.192 -1.752 1.00 11.01 C ATOM 994 OE1 GLU A 66 19.397 8.172 -1.182 1.00 62.03 O ATOM 995 OE2 GLU A 66 21.256 9.230 -1.864 1.00 61.41 O1- ATOM 0 H GLU A 66 17.878 4.992 -1.434 1.00 20.23 H new ATOM 0 HA GLU A 66 18.857 6.436 -3.513 1.00 4.35 H new ATOM 0 HB2 GLU A 66 19.740 5.856 -1.045 1.00 2.12 H new ATOM 0 HB3 GLU A 66 20.823 4.817 -1.949 1.00 2.12 H new ATOM 0 HG2 GLU A 66 22.076 6.754 -2.058 1.00 74.21 H new ATOM 0 HG3 GLU A 66 21.081 7.031 -3.474 1.00 74.21 H new ATOM 1003 N TYR A 67 19.849 3.297 -3.790 1.00 2.54 N ATOM 1004 CA TYR A 67 20.322 2.302 -4.737 1.00 70.14 C ATOM 1005 C TYR A 67 19.459 2.293 -6.001 1.00 15.44 C ATOM 1006 O TYR A 67 19.980 2.213 -7.112 1.00 20.34 O ATOM 1007 CB TYR A 67 20.185 0.950 -4.033 1.00 71.01 C ATOM 1008 CG TYR A 67 21.092 -0.143 -4.601 1.00 33.43 C ATOM 1009 CD1 TYR A 67 22.395 0.152 -4.947 1.00 25.24 C ATOM 1010 CD2 TYR A 67 20.607 -1.424 -4.769 1.00 73.53 C ATOM 1011 CE1 TYR A 67 23.248 -0.877 -5.482 1.00 12.44 C ATOM 1012 CE2 TYR A 67 21.459 -2.453 -5.304 1.00 50.13 C ATOM 1013 CZ TYR A 67 22.739 -2.128 -5.635 1.00 70.00 C ATOM 1014 OH TYR A 67 23.544 -3.100 -6.140 1.00 1.15 O ATOM 0 H TYR A 67 19.742 2.959 -2.834 1.00 2.54 H new ATOM 0 HA TYR A 67 21.348 2.516 -5.037 1.00 70.14 H new ATOM 0 HB2 TYR A 67 20.409 1.079 -2.974 1.00 71.01 H new ATOM 0 HB3 TYR A 67 19.149 0.620 -4.102 1.00 71.01 H new ATOM 0 HD1 TYR A 67 22.775 1.155 -4.816 1.00 25.24 H new ATOM 0 HD2 TYR A 67 19.587 -1.654 -4.499 1.00 73.53 H new ATOM 0 HE1 TYR A 67 24.270 -0.660 -5.756 1.00 12.44 H new ATOM 0 HE2 TYR A 67 21.092 -3.459 -5.440 1.00 50.13 H new ATOM 0 HH TYR A 67 24.477 -2.802 -6.107 1.00 1.15 H new ATOM 1024 N LEU A 68 18.154 2.377 -5.788 1.00 3.24 N ATOM 1025 CA LEU A 68 17.214 2.381 -6.896 1.00 35.25 C ATOM 1026 C LEU A 68 17.420 3.648 -7.730 1.00 53.11 C ATOM 1027 O LEU A 68 17.152 3.656 -8.930 1.00 15.43 O ATOM 1028 CB LEU A 68 15.783 2.207 -6.385 1.00 63.11 C ATOM 1029 CG LEU A 68 15.405 0.800 -5.917 1.00 65.23 C ATOM 1030 CD1 LEU A 68 14.055 0.805 -5.197 1.00 12.31 C ATOM 1031 CD2 LEU A 68 15.428 -0.191 -7.082 1.00 71.44 C ATOM 0 H LEU A 68 17.725 2.443 -4.865 1.00 3.24 H new ATOM 0 HA LEU A 68 17.398 1.532 -7.555 1.00 35.25 H new ATOM 0 HB2 LEU A 68 15.627 2.898 -5.557 1.00 63.11 H new ATOM 0 HB3 LEU A 68 15.096 2.501 -7.179 1.00 63.11 H new ATOM 0 HG LEU A 68 16.153 0.468 -5.197 1.00 65.23 H new ATOM 0 HD11 LEU A 68 13.811 -0.207 -4.875 1.00 12.31 H new ATOM 0 HD12 LEU A 68 14.109 1.459 -4.327 1.00 12.31 H new ATOM 0 HD13 LEU A 68 13.282 1.166 -5.875 1.00 12.31 H new ATOM 0 HD21 LEU A 68 15.156 -1.183 -6.721 1.00 71.44 H new ATOM 0 HD22 LEU A 68 14.716 0.126 -7.844 1.00 71.44 H new ATOM 0 HD23 LEU A 68 16.429 -0.224 -7.512 1.00 71.44 H new ATOM 1043 N GLU A 69 17.892 4.689 -7.059 1.00 15.25 N ATOM 1044 CA GLU A 69 18.135 5.959 -7.723 1.00 72.12 C ATOM 1045 C GLU A 69 19.448 5.904 -8.507 1.00 22.31 C ATOM 1046 O GLU A 69 19.557 6.489 -9.583 1.00 70.33 O ATOM 1047 CB GLU A 69 18.145 7.110 -6.715 1.00 51.12 C ATOM 1048 CG GLU A 69 18.362 8.451 -7.418 1.00 33.34 C ATOM 1049 CD GLU A 69 17.864 9.611 -6.554 1.00 54.43 C ATOM 1050 OE1 GLU A 69 16.861 10.253 -6.898 1.00 2.44 O ATOM 1051 OE2 GLU A 69 18.558 9.835 -5.489 1.00 3.24 O1- ATOM 0 H GLU A 69 18.112 4.679 -6.063 1.00 15.25 H new ATOM 0 HA GLU A 69 17.322 6.142 -8.426 1.00 72.12 H new ATOM 0 HB2 GLU A 69 17.201 7.129 -6.170 1.00 51.12 H new ATOM 0 HB3 GLU A 69 18.934 6.948 -5.980 1.00 51.12 H new ATOM 0 HG2 GLU A 69 19.422 8.584 -7.636 1.00 33.34 H new ATOM 0 HG3 GLU A 69 17.838 8.454 -8.374 1.00 33.34 H new ATOM 1059 N ASN A 70 20.411 5.196 -7.937 1.00 1.34 N ATOM 1060 CA ASN A 70 21.713 5.057 -8.568 1.00 62.35 C ATOM 1061 C ASN A 70 22.474 3.906 -7.910 1.00 55.43 C ATOM 1062 O ASN A 70 23.303 4.129 -7.028 1.00 45.53 O ATOM 1063 CB ASN A 70 22.544 6.331 -8.403 1.00 44.13 C ATOM 1064 CG ASN A 70 23.715 6.354 -9.388 1.00 34.34 C ATOM 1065 OD1 ASN A 70 24.103 5.346 -9.954 1.00 35.54 O ATOM 1066 ND2 ASN A 70 24.252 7.558 -9.561 1.00 0.54 N ATOM 0 H ASN A 70 20.316 4.712 -7.044 1.00 1.34 H new ATOM 0 HA ASN A 70 21.555 4.866 -9.629 1.00 62.35 H new ATOM 0 HB2 ASN A 70 21.912 7.205 -8.563 1.00 44.13 H new ATOM 0 HB3 ASN A 70 22.921 6.393 -7.382 1.00 44.13 H new ATOM 0 HD21 ASN A 70 25.038 7.679 -10.200 1.00 0.54 H new ATOM 0 HD22 ASN A 70 23.878 8.361 -9.055 1.00 0.54 H new ATOM 1073 N PRO A 71 22.160 2.668 -8.375 1.00 54.04 N ATOM 1074 CA PRO A 71 22.806 1.480 -7.841 1.00 32.44 C ATOM 1075 C PRO A 71 24.238 1.352 -8.366 1.00 41.31 C ATOM 1076 O PRO A 71 25.009 0.526 -7.881 1.00 74.34 O ATOM 1077 CB PRO A 71 21.914 0.324 -8.261 1.00 13.22 C ATOM 1078 CG PRO A 71 21.058 0.851 -9.401 1.00 74.42 C ATOM 1079 CD PRO A 71 21.185 2.365 -9.419 1.00 62.30 C ATOM 0 HA PRO A 71 22.911 1.510 -6.757 1.00 32.44 H new ATOM 0 HB2 PRO A 71 22.508 -0.531 -8.582 1.00 13.22 H new ATOM 0 HB3 PRO A 71 21.294 -0.013 -7.430 1.00 13.22 H new ATOM 0 HG2 PRO A 71 21.386 0.429 -10.351 1.00 74.42 H new ATOM 0 HG3 PRO A 71 20.017 0.557 -9.264 1.00 74.42 H new ATOM 0 HD2 PRO A 71 21.523 2.722 -10.392 1.00 62.30 H new ATOM 0 HD3 PRO A 71 20.227 2.845 -9.218 1.00 62.30 H new ATOM 1087 N LYS A 72 24.550 2.182 -9.350 1.00 40.44 N ATOM 1088 CA LYS A 72 25.875 2.172 -9.946 1.00 22.32 C ATOM 1089 C LYS A 72 26.855 2.885 -9.012 1.00 63.53 C ATOM 1090 O LYS A 72 27.940 2.375 -8.737 1.00 45.42 O ATOM 1091 CB LYS A 72 25.833 2.760 -11.358 1.00 54.30 C ATOM 1092 CG LYS A 72 26.910 2.133 -12.245 1.00 41.01 C ATOM 1093 CD LYS A 72 28.299 2.656 -11.872 1.00 72.43 C ATOM 1094 CE LYS A 72 28.331 4.185 -11.882 1.00 51.53 C ATOM 1095 NZ LYS A 72 27.520 4.714 -13.002 1.00 51.14 N1+ ATOM 0 H LYS A 72 23.908 2.866 -9.750 1.00 40.44 H new ATOM 0 HA LYS A 72 26.232 1.149 -10.063 1.00 22.32 H new ATOM 0 HB2 LYS A 72 24.850 2.590 -11.798 1.00 54.30 H new ATOM 0 HB3 LYS A 72 25.978 3.839 -11.311 1.00 54.30 H new ATOM 0 HG2 LYS A 72 26.886 1.048 -12.141 1.00 41.01 H new ATOM 0 HG3 LYS A 72 26.701 2.358 -13.291 1.00 41.01 H new ATOM 0 HD2 LYS A 72 28.576 2.290 -10.883 1.00 72.43 H new ATOM 0 HD3 LYS A 72 29.038 2.269 -12.574 1.00 72.43 H new ATOM 0 HE2 LYS A 72 27.949 4.569 -10.936 1.00 51.53 H new ATOM 0 HE3 LYS A 72 29.360 4.532 -11.975 1.00 51.53 H new ATOM 0 HZ1 LYS A 72 27.762 5.712 -13.164 1.00 51.14 H new ATOM 0 HZ2 LYS A 72 27.718 4.165 -13.863 1.00 51.14 H new ATOM 0 HZ3 LYS A 72 26.510 4.636 -12.766 1.00 51.14 H new ATOM 1108 N LYS A 73 26.438 4.055 -8.550 1.00 4.23 N ATOM 1109 CA LYS A 73 27.264 4.845 -7.653 1.00 34.14 C ATOM 1110 C LYS A 73 27.428 4.097 -6.328 1.00 2.10 C ATOM 1111 O LYS A 73 28.529 4.022 -5.785 1.00 35.44 O ATOM 1112 CB LYS A 73 26.692 6.254 -7.497 1.00 1.20 C ATOM 1113 CG LYS A 73 27.140 6.885 -6.177 1.00 32.13 C ATOM 1114 CD LYS A 73 26.514 8.269 -5.990 1.00 55.50 C ATOM 1115 CE LYS A 73 27.382 9.354 -6.628 1.00 5.11 C ATOM 1116 NZ LYS A 73 26.605 10.600 -6.811 1.00 51.34 N1+ ATOM 0 H LYS A 73 25.538 4.475 -8.781 1.00 4.23 H new ATOM 0 HA LYS A 73 28.262 4.977 -8.072 1.00 34.14 H new ATOM 0 HB2 LYS A 73 27.017 6.877 -8.331 1.00 1.20 H new ATOM 0 HB3 LYS A 73 25.603 6.215 -7.534 1.00 1.20 H new ATOM 0 HG2 LYS A 73 26.857 6.239 -5.346 1.00 32.13 H new ATOM 0 HG3 LYS A 73 28.227 6.968 -6.160 1.00 32.13 H new ATOM 0 HD2 LYS A 73 25.519 8.285 -6.436 1.00 55.50 H new ATOM 0 HD3 LYS A 73 26.390 8.476 -4.927 1.00 55.50 H new ATOM 0 HE2 LYS A 73 28.251 9.549 -5.999 1.00 5.11 H new ATOM 0 HE3 LYS A 73 27.757 9.008 -7.591 1.00 5.11 H new ATOM 0 HZ1 LYS A 73 27.210 11.326 -7.245 1.00 51.34 H new ATOM 0 HZ2 LYS A 73 25.790 10.413 -7.429 1.00 51.34 H new ATOM 0 HZ3 LYS A 73 26.268 10.938 -5.887 1.00 51.34 H new ATOM 1129 N TYR A 74 26.316 3.563 -5.845 1.00 21.02 N ATOM 1130 CA TYR A 74 26.322 2.824 -4.593 1.00 11.41 C ATOM 1131 C TYR A 74 27.461 1.803 -4.566 1.00 42.23 C ATOM 1132 O TYR A 74 28.242 1.764 -3.616 1.00 73.43 O ATOM 1133 CB TYR A 74 24.986 2.082 -4.536 1.00 34.24 C ATOM 1134 CG TYR A 74 24.526 1.739 -3.118 1.00 13.51 C ATOM 1135 CD1 TYR A 74 25.313 0.944 -2.309 1.00 0.20 C ATOM 1136 CD2 TYR A 74 23.323 2.224 -2.647 1.00 55.13 C ATOM 1137 CE1 TYR A 74 24.879 0.622 -0.974 1.00 65.02 C ATOM 1138 CE2 TYR A 74 22.889 1.901 -1.312 1.00 30.14 C ATOM 1139 CZ TYR A 74 23.689 1.117 -0.541 1.00 60.53 C ATOM 1140 OH TYR A 74 23.280 0.812 0.719 1.00 63.13 O ATOM 0 H TYR A 74 25.404 3.627 -6.298 1.00 21.02 H new ATOM 0 HA TYR A 74 26.462 3.499 -3.748 1.00 11.41 H new ATOM 0 HB2 TYR A 74 24.222 2.693 -5.017 1.00 34.24 H new ATOM 0 HB3 TYR A 74 25.068 1.161 -5.113 1.00 34.24 H new ATOM 0 HD1 TYR A 74 26.254 0.563 -2.677 1.00 0.20 H new ATOM 0 HD2 TYR A 74 22.707 2.846 -3.279 1.00 55.13 H new ATOM 0 HE1 TYR A 74 25.485 0.001 -0.331 1.00 65.02 H new ATOM 0 HE2 TYR A 74 21.949 2.273 -0.932 1.00 30.14 H new ATOM 0 HH TYR A 74 22.358 0.482 0.693 1.00 63.13 H new ATOM 1150 N ILE A 75 27.521 1.002 -5.618 1.00 35.22 N ATOM 1151 CA ILE A 75 28.552 -0.016 -5.727 1.00 2.31 C ATOM 1152 C ILE A 75 29.128 -0.005 -7.144 1.00 30.40 C ATOM 1153 O ILE A 75 28.628 -0.703 -8.026 1.00 3.45 O ATOM 1154 CB ILE A 75 28.007 -1.380 -5.295 1.00 64.10 C ATOM 1155 CG1 ILE A 75 27.085 -1.241 -4.081 1.00 71.04 C ATOM 1156 CG2 ILE A 75 29.144 -2.370 -5.041 1.00 52.55 C ATOM 1157 CD1 ILE A 75 26.546 -2.605 -3.645 1.00 1.01 C ATOM 0 H ILE A 75 26.872 1.037 -6.404 1.00 35.22 H new ATOM 0 HA ILE A 75 29.375 0.203 -5.047 1.00 2.31 H new ATOM 0 HB ILE A 75 27.407 -1.783 -6.111 1.00 64.10 H new ATOM 0 HG12 ILE A 75 27.630 -0.780 -3.257 1.00 71.04 H new ATOM 0 HG13 ILE A 75 26.255 -0.578 -4.324 1.00 71.04 H new ATOM 0 HG21 ILE A 75 28.729 -3.330 -4.736 1.00 52.55 H new ATOM 0 HG22 ILE A 75 29.724 -2.500 -5.954 1.00 52.55 H new ATOM 0 HG23 ILE A 75 29.791 -1.987 -4.252 1.00 52.55 H new ATOM 0 HD11 ILE A 75 25.894 -2.479 -2.781 1.00 1.01 H new ATOM 0 HD12 ILE A 75 25.982 -3.052 -4.464 1.00 1.01 H new ATOM 0 HD13 ILE A 75 27.378 -3.257 -3.380 1.00 1.01 H new ATOM 1169 N PRO A 76 30.197 0.815 -7.324 1.00 75.43 N ATOM 1170 CA PRO A 76 30.846 0.926 -8.619 1.00 60.41 C ATOM 1171 C PRO A 76 31.700 -0.309 -8.913 1.00 71.21 C ATOM 1172 O PRO A 76 32.830 -0.413 -8.439 1.00 23.43 O ATOM 1173 CB PRO A 76 31.660 2.207 -8.544 1.00 52.32 C ATOM 1174 CG PRO A 76 31.808 2.519 -7.063 1.00 32.44 C ATOM 1175 CD PRO A 76 30.815 1.655 -6.302 1.00 2.31 C ATOM 0 HA PRO A 76 30.134 0.971 -9.443 1.00 60.41 H new ATOM 0 HB2 PRO A 76 32.634 2.079 -9.016 1.00 52.32 H new ATOM 0 HB3 PRO A 76 31.157 3.021 -9.067 1.00 52.32 H new ATOM 0 HG2 PRO A 76 32.825 2.314 -6.730 1.00 32.44 H new ATOM 0 HG3 PRO A 76 31.617 3.576 -6.875 1.00 32.44 H new ATOM 0 HD2 PRO A 76 31.314 1.053 -5.543 1.00 2.31 H new ATOM 0 HD3 PRO A 76 30.072 2.265 -5.788 1.00 2.31 H new ATOM 1183 N GLY A 77 31.126 -1.214 -9.694 1.00 41.14 N ATOM 1184 CA GLY A 77 31.822 -2.437 -10.056 1.00 61.20 C ATOM 1185 C GLY A 77 30.909 -3.655 -9.893 1.00 2.42 C ATOM 1186 O GLY A 77 31.198 -4.726 -10.424 1.00 31.14 O ATOM 0 H GLY A 77 30.188 -1.124 -10.085 1.00 41.14 H new ATOM 0 HA2 GLY A 77 32.167 -2.372 -11.088 1.00 61.20 H new ATOM 0 HA3 GLY A 77 32.707 -2.555 -9.431 1.00 61.20 H new ATOM 1190 N THR A 78 29.827 -3.449 -9.156 1.00 45.32 N ATOM 1191 CA THR A 78 28.871 -4.516 -8.917 1.00 52.32 C ATOM 1192 C THR A 78 28.588 -5.280 -10.212 1.00 15.00 C ATOM 1193 O THR A 78 28.904 -4.802 -11.300 1.00 74.51 O ATOM 1194 CB THR A 78 27.619 -3.898 -8.291 1.00 44.04 C ATOM 1195 OG1 THR A 78 26.683 -4.971 -8.255 1.00 51.42 O ATOM 1196 CG2 THR A 78 26.962 -2.859 -9.200 1.00 71.52 C ATOM 0 H THR A 78 29.592 -2.559 -8.717 1.00 45.32 H new ATOM 0 HA THR A 78 29.270 -5.255 -8.222 1.00 52.32 H new ATOM 0 HB THR A 78 27.880 -3.434 -7.340 1.00 44.04 H new ATOM 0 HG1 THR A 78 25.842 -4.658 -7.861 1.00 51.42 H new ATOM 0 HG21 THR A 78 26.079 -2.452 -8.708 1.00 71.52 H new ATOM 0 HG22 THR A 78 27.668 -2.054 -9.402 1.00 71.52 H new ATOM 0 HG23 THR A 78 26.670 -3.330 -10.139 1.00 71.52 H new ATOM 1204 N LYS A 79 27.996 -6.454 -10.052 1.00 35.35 N ATOM 1205 CA LYS A 79 27.668 -7.289 -11.195 1.00 23.13 C ATOM 1206 C LYS A 79 26.225 -7.011 -11.626 1.00 32.14 C ATOM 1207 O LYS A 79 25.628 -7.804 -12.352 1.00 61.34 O ATOM 1208 CB LYS A 79 27.943 -8.761 -10.881 1.00 4.04 C ATOM 1209 CG LYS A 79 29.228 -8.916 -10.065 1.00 33.42 C ATOM 1210 CD LYS A 79 29.775 -10.340 -10.169 1.00 24.30 C ATOM 1211 CE LYS A 79 28.910 -11.321 -9.373 1.00 10.21 C ATOM 1212 NZ LYS A 79 27.775 -11.795 -10.196 1.00 45.34 N1+ ATOM 0 H LYS A 79 27.735 -6.847 -9.148 1.00 35.35 H new ATOM 0 HA LYS A 79 28.308 -7.043 -12.042 1.00 23.13 H new ATOM 0 HB2 LYS A 79 27.103 -9.182 -10.328 1.00 4.04 H new ATOM 0 HB3 LYS A 79 28.027 -9.325 -11.810 1.00 4.04 H new ATOM 0 HG2 LYS A 79 29.977 -8.208 -10.421 1.00 33.42 H new ATOM 0 HG3 LYS A 79 29.031 -8.674 -9.021 1.00 33.42 H new ATOM 0 HD2 LYS A 79 29.808 -10.645 -11.215 1.00 24.30 H new ATOM 0 HD3 LYS A 79 30.799 -10.368 -9.796 1.00 24.30 H new ATOM 0 HE2 LYS A 79 29.514 -12.170 -9.052 1.00 10.21 H new ATOM 0 HE3 LYS A 79 28.536 -10.836 -8.471 1.00 10.21 H new ATOM 0 HZ1 LYS A 79 26.884 -11.436 -9.798 1.00 45.34 H new ATOM 0 HZ2 LYS A 79 27.884 -11.448 -11.170 1.00 45.34 H new ATOM 0 HZ3 LYS A 79 27.759 -12.835 -10.199 1.00 45.34 H new ATOM 1225 N MET A 80 25.710 -5.884 -11.161 1.00 75.05 N ATOM 1226 CA MET A 80 24.349 -5.491 -11.488 1.00 44.10 C ATOM 1227 C MET A 80 24.264 -4.955 -12.920 1.00 15.21 C ATOM 1228 O MET A 80 25.191 -4.306 -13.400 1.00 11.50 O ATOM 1229 CB MET A 80 23.879 -4.414 -10.510 1.00 41.23 C ATOM 1230 CG MET A 80 22.351 -4.365 -10.442 1.00 12.33 C ATOM 1231 SD MET A 80 21.760 -5.480 -9.180 1.00 55.50 S ATOM 1232 CE MET A 80 21.904 -4.428 -7.744 1.00 4.13 C ATOM 0 H MET A 80 26.210 -5.229 -10.560 1.00 75.05 H new ATOM 0 HA MET A 80 23.707 -6.369 -11.409 1.00 44.10 H new ATOM 0 HB2 MET A 80 24.285 -4.616 -9.519 1.00 41.23 H new ATOM 0 HB3 MET A 80 24.264 -3.443 -10.820 1.00 41.23 H new ATOM 0 HG2 MET A 80 22.021 -3.349 -10.225 1.00 12.33 H new ATOM 0 HG3 MET A 80 21.927 -4.638 -11.408 1.00 12.33 H new ATOM 0 HE1 MET A 80 22.436 -4.960 -6.955 1.00 4.13 H new ATOM 0 HE2 MET A 80 22.454 -3.525 -8.008 1.00 4.13 H new ATOM 0 HE3 MET A 80 20.909 -4.156 -7.391 1.00 4.13 H new ATOM 1242 N ILE A 81 23.141 -5.246 -13.560 1.00 73.13 N ATOM 1243 CA ILE A 81 22.921 -4.802 -14.925 1.00 63.41 C ATOM 1244 C ILE A 81 21.704 -3.876 -14.966 1.00 63.43 C ATOM 1245 O ILE A 81 20.634 -4.271 -15.426 1.00 21.32 O ATOM 1246 CB ILE A 81 22.813 -6.002 -15.869 1.00 65.11 C ATOM 1247 CG1 ILE A 81 24.114 -6.806 -15.883 1.00 3.45 C ATOM 1248 CG2 ILE A 81 22.398 -5.559 -17.273 1.00 43.10 C ATOM 1249 CD1 ILE A 81 24.067 -7.906 -16.945 1.00 64.30 C ATOM 0 H ILE A 81 22.374 -5.784 -13.158 1.00 73.13 H new ATOM 0 HA ILE A 81 23.774 -4.224 -15.279 1.00 63.41 H new ATOM 0 HB ILE A 81 22.030 -6.662 -15.495 1.00 65.11 H new ATOM 0 HG12 ILE A 81 24.955 -6.141 -16.080 1.00 3.45 H new ATOM 0 HG13 ILE A 81 24.282 -7.250 -14.902 1.00 3.45 H new ATOM 0 HG21 ILE A 81 22.329 -6.431 -17.924 1.00 43.10 H new ATOM 0 HG22 ILE A 81 21.429 -5.063 -17.226 1.00 43.10 H new ATOM 0 HG23 ILE A 81 23.141 -4.867 -17.671 1.00 43.10 H new ATOM 0 HD11 ILE A 81 25.004 -8.463 -16.934 1.00 64.30 H new ATOM 0 HD12 ILE A 81 23.240 -8.583 -16.731 1.00 64.30 H new ATOM 0 HD13 ILE A 81 23.923 -7.457 -17.928 1.00 64.30 H new ATOM 1261 N PHE A 82 21.907 -2.661 -14.479 1.00 51.30 N ATOM 1262 CA PHE A 82 20.839 -1.676 -14.453 1.00 2.04 C ATOM 1263 C PHE A 82 21.405 -0.255 -14.441 1.00 11.53 C ATOM 1264 O PHE A 82 22.616 -0.065 -14.341 1.00 33.35 O ATOM 1265 CB PHE A 82 20.047 -1.908 -13.165 1.00 11.41 C ATOM 1266 CG PHE A 82 18.689 -1.204 -13.135 1.00 52.20 C ATOM 1267 CD1 PHE A 82 17.808 -1.380 -14.157 1.00 64.53 C ATOM 1268 CD2 PHE A 82 18.361 -0.403 -12.087 1.00 24.33 C ATOM 1269 CE1 PHE A 82 16.548 -0.726 -14.129 1.00 62.32 C ATOM 1270 CE2 PHE A 82 17.101 0.251 -12.058 1.00 21.13 C ATOM 1271 CZ PHE A 82 16.221 0.075 -13.081 1.00 52.30 C ATOM 0 H PHE A 82 22.796 -2.336 -14.099 1.00 51.30 H new ATOM 0 HA PHE A 82 20.213 -1.782 -15.339 1.00 2.04 H new ATOM 0 HB2 PHE A 82 19.893 -2.979 -13.033 1.00 11.41 H new ATOM 0 HB3 PHE A 82 20.641 -1.565 -12.318 1.00 11.41 H new ATOM 0 HD1 PHE A 82 18.067 -2.017 -14.990 1.00 64.53 H new ATOM 0 HD2 PHE A 82 19.060 -0.264 -11.275 1.00 24.33 H new ATOM 0 HE1 PHE A 82 15.849 -0.865 -14.941 1.00 62.32 H new ATOM 0 HE2 PHE A 82 16.841 0.887 -11.225 1.00 21.13 H new ATOM 0 HZ PHE A 82 15.262 0.572 -13.060 1.00 52.30 H new ATOM 1281 N VAL A 83 20.501 0.709 -14.544 1.00 11.14 N ATOM 1282 CA VAL A 83 20.896 2.108 -14.546 1.00 50.45 C ATOM 1283 C VAL A 83 20.260 2.813 -13.346 1.00 64.23 C ATOM 1284 O VAL A 83 20.929 3.566 -12.638 1.00 22.41 O ATOM 1285 CB VAL A 83 20.527 2.754 -15.883 1.00 72.20 C ATOM 1286 CG1 VAL A 83 21.432 2.245 -17.007 1.00 12.30 C ATOM 1287 CG2 VAL A 83 19.051 2.518 -16.217 1.00 22.20 C ATOM 0 H VAL A 83 19.497 0.549 -14.627 1.00 11.14 H new ATOM 0 HA VAL A 83 21.977 2.201 -14.443 1.00 50.45 H new ATOM 0 HB VAL A 83 20.682 3.829 -15.790 1.00 72.20 H new ATOM 0 HG11 VAL A 83 21.148 2.720 -17.946 1.00 12.30 H new ATOM 0 HG12 VAL A 83 22.469 2.487 -16.777 1.00 12.30 H new ATOM 0 HG13 VAL A 83 21.324 1.164 -17.100 1.00 12.30 H new ATOM 0 HG21 VAL A 83 18.815 2.987 -17.172 1.00 22.20 H new ATOM 0 HG22 VAL A 83 18.859 1.447 -16.282 1.00 22.20 H new ATOM 0 HG23 VAL A 83 18.427 2.952 -15.435 1.00 22.20 H new ATOM 1297 N GLY A 84 18.977 2.546 -13.153 1.00 42.12 N ATOM 1298 CA GLY A 84 18.245 3.145 -12.051 1.00 22.32 C ATOM 1299 C GLY A 84 16.847 3.581 -12.494 1.00 4.23 C ATOM 1300 O GLY A 84 16.580 3.706 -13.689 1.00 44.21 O ATOM 0 H GLY A 84 18.425 1.922 -13.742 1.00 42.12 H new ATOM 0 HA2 GLY A 84 18.164 2.430 -11.232 1.00 22.32 H new ATOM 0 HA3 GLY A 84 18.795 4.006 -11.670 1.00 22.32 H new ATOM 1304 N ILE A 85 15.989 3.800 -11.508 1.00 0.21 N ATOM 1305 CA ILE A 85 14.625 4.219 -11.781 1.00 22.34 C ATOM 1306 C ILE A 85 14.487 5.714 -11.486 1.00 73.43 C ATOM 1307 O ILE A 85 15.205 6.254 -10.647 1.00 55.21 O ATOM 1308 CB ILE A 85 13.632 3.346 -11.012 1.00 13.11 C ATOM 1309 CG1 ILE A 85 13.891 1.860 -11.275 1.00 31.10 C ATOM 1310 CG2 ILE A 85 12.190 3.742 -11.333 1.00 13.43 C ATOM 1311 CD1 ILE A 85 13.035 0.985 -10.357 1.00 71.13 C ATOM 0 H ILE A 85 16.213 3.695 -10.518 1.00 0.21 H new ATOM 0 HA ILE A 85 14.387 4.078 -12.835 1.00 22.34 H new ATOM 0 HB ILE A 85 13.782 3.516 -9.946 1.00 13.11 H new ATOM 0 HG12 ILE A 85 13.669 1.627 -12.316 1.00 31.10 H new ATOM 0 HG13 ILE A 85 14.946 1.637 -11.116 1.00 31.10 H new ATOM 0 HG21 ILE A 85 11.505 3.106 -10.773 1.00 13.43 H new ATOM 0 HG22 ILE A 85 12.028 4.783 -11.054 1.00 13.43 H new ATOM 0 HG23 ILE A 85 12.008 3.620 -12.401 1.00 13.43 H new ATOM 0 HD11 ILE A 85 13.237 -0.066 -10.564 1.00 71.13 H new ATOM 0 HD12 ILE A 85 13.277 1.204 -9.317 1.00 71.13 H new ATOM 0 HD13 ILE A 85 11.980 1.193 -10.536 1.00 71.13 H new ATOM 1323 N LYS A 86 13.557 6.341 -12.191 1.00 70.13 N ATOM 1324 CA LYS A 86 13.315 7.762 -12.015 1.00 52.41 C ATOM 1325 C LYS A 86 12.168 7.961 -11.021 1.00 72.24 C ATOM 1326 O LYS A 86 12.399 8.318 -9.867 1.00 12.14 O ATOM 1327 CB LYS A 86 13.078 8.438 -13.367 1.00 14.22 C ATOM 1328 CG LYS A 86 13.390 9.933 -13.296 1.00 24.43 C ATOM 1329 CD LYS A 86 14.882 10.194 -13.518 1.00 71.23 C ATOM 1330 CE LYS A 86 15.278 11.580 -13.009 1.00 51.35 C ATOM 1331 NZ LYS A 86 15.450 11.564 -11.539 1.00 32.04 N1+ ATOM 0 H LYS A 86 12.962 5.890 -12.886 1.00 70.13 H new ATOM 0 HA LYS A 86 14.194 8.247 -11.591 1.00 52.41 H new ATOM 0 HB2 LYS A 86 13.703 7.968 -14.127 1.00 14.22 H new ATOM 0 HB3 LYS A 86 12.042 8.294 -13.673 1.00 14.22 H new ATOM 0 HG2 LYS A 86 12.808 10.466 -14.048 1.00 24.43 H new ATOM 0 HG3 LYS A 86 13.089 10.325 -12.324 1.00 24.43 H new ATOM 0 HD2 LYS A 86 15.468 9.433 -13.004 1.00 71.23 H new ATOM 0 HD3 LYS A 86 15.115 10.112 -14.580 1.00 71.23 H new ATOM 0 HE2 LYS A 86 16.205 11.898 -13.486 1.00 51.35 H new ATOM 0 HE3 LYS A 86 14.513 12.307 -13.283 1.00 51.35 H new ATOM 0 HZ1 LYS A 86 15.248 12.509 -11.155 1.00 32.04 H new ATOM 0 HZ2 LYS A 86 14.795 10.873 -11.120 1.00 32.04 H new ATOM 0 HZ3 LYS A 86 16.428 11.298 -11.307 1.00 32.04 H new ATOM 1344 N LYS A 87 10.959 7.720 -11.505 1.00 51.43 N ATOM 1345 CA LYS A 87 9.777 7.867 -10.673 1.00 71.11 C ATOM 1346 C LYS A 87 10.070 7.320 -9.275 1.00 30.25 C ATOM 1347 O LYS A 87 10.756 6.308 -9.131 1.00 52.34 O ATOM 1348 CB LYS A 87 8.565 7.219 -11.344 1.00 51.42 C ATOM 1349 CG LYS A 87 8.361 7.770 -12.757 1.00 42.12 C ATOM 1350 CD LYS A 87 6.925 7.541 -13.233 1.00 3.45 C ATOM 1351 CE LYS A 87 6.728 8.067 -14.656 1.00 15.15 C ATOM 1352 NZ LYS A 87 7.181 7.065 -15.646 1.00 2.13 N1+ ATOM 0 H LYS A 87 10.772 7.424 -12.463 1.00 51.43 H new ATOM 0 HA LYS A 87 9.523 8.921 -10.557 1.00 71.11 H new ATOM 0 HB2 LYS A 87 8.703 6.139 -11.387 1.00 51.42 H new ATOM 0 HB3 LYS A 87 7.672 7.402 -10.746 1.00 51.42 H new ATOM 0 HG2 LYS A 87 8.587 8.836 -12.772 1.00 42.12 H new ATOM 0 HG3 LYS A 87 9.057 7.287 -13.443 1.00 42.12 H new ATOM 0 HD2 LYS A 87 6.693 6.477 -13.200 1.00 3.45 H new ATOM 0 HD3 LYS A 87 6.230 8.040 -12.558 1.00 3.45 H new ATOM 0 HE2 LYS A 87 5.676 8.301 -14.821 1.00 15.15 H new ATOM 0 HE3 LYS A 87 7.285 8.995 -14.788 1.00 15.15 H new ATOM 0 HZ1 LYS A 87 7.040 7.438 -16.607 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 8.190 6.862 -15.498 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 6.631 6.190 -15.530 1.00 2.13 H new ATOM 1365 N LYS A 88 9.539 8.013 -8.279 1.00 73.34 N ATOM 1366 CA LYS A 88 9.735 7.609 -6.897 1.00 10.55 C ATOM 1367 C LYS A 88 8.803 6.440 -6.574 1.00 15.32 C ATOM 1368 O LYS A 88 9.208 5.481 -5.920 1.00 51.24 O ATOM 1369 CB LYS A 88 9.568 8.807 -5.960 1.00 73.43 C ATOM 1370 CG LYS A 88 8.096 9.025 -5.606 1.00 35.34 C ATOM 1371 CD LYS A 88 7.898 10.355 -4.877 1.00 1.31 C ATOM 1372 CE LYS A 88 8.537 10.319 -3.487 1.00 44.14 C ATOM 1373 NZ LYS A 88 8.433 8.962 -2.904 1.00 21.31 N1+ ATOM 0 H LYS A 88 8.973 8.852 -8.401 1.00 73.34 H new ATOM 0 HA LYS A 88 10.754 7.255 -6.745 1.00 10.55 H new ATOM 0 HB2 LYS A 88 10.144 8.644 -5.049 1.00 73.43 H new ATOM 0 HB3 LYS A 88 9.968 9.703 -6.435 1.00 73.43 H new ATOM 0 HG2 LYS A 88 7.494 9.011 -6.515 1.00 35.34 H new ATOM 0 HG3 LYS A 88 7.744 8.206 -4.978 1.00 35.34 H new ATOM 0 HD2 LYS A 88 8.337 11.163 -5.462 1.00 1.31 H new ATOM 0 HD3 LYS A 88 6.833 10.569 -4.786 1.00 1.31 H new ATOM 0 HE2 LYS A 88 9.584 10.613 -3.554 1.00 44.14 H new ATOM 0 HE3 LYS A 88 8.044 11.040 -2.835 1.00 44.14 H new ATOM 0 HZ1 LYS A 88 8.582 9.013 -1.876 1.00 21.31 H new ATOM 0 HZ2 LYS A 88 7.488 8.572 -3.098 1.00 21.31 H new ATOM 0 HZ3 LYS A 88 9.155 8.346 -3.328 1.00 21.31 H new ATOM 1386 N GLU A 89 7.571 6.560 -7.046 1.00 4.13 N ATOM 1387 CA GLU A 89 6.577 5.526 -6.816 1.00 30.31 C ATOM 1388 C GLU A 89 7.087 4.176 -7.326 1.00 34.03 C ATOM 1389 O GLU A 89 7.228 3.229 -6.553 1.00 20.11 O ATOM 1390 CB GLU A 89 5.243 5.890 -7.471 1.00 13.22 C ATOM 1391 CG GLU A 89 4.074 5.222 -6.745 1.00 72.24 C ATOM 1392 CD GLU A 89 2.758 5.467 -7.483 1.00 43.14 C ATOM 1393 OE1 GLU A 89 2.651 5.157 -8.679 1.00 43.15 O ATOM 1394 OE2 GLU A 89 1.824 6.000 -6.771 1.00 73.44 O1- ATOM 0 H GLU A 89 7.238 7.358 -7.587 1.00 4.13 H new ATOM 0 HA GLU A 89 6.407 5.447 -5.742 1.00 30.31 H new ATOM 0 HB2 GLU A 89 5.112 6.972 -7.460 1.00 13.22 H new ATOM 0 HB3 GLU A 89 5.251 5.581 -8.516 1.00 13.22 H new ATOM 0 HG2 GLU A 89 4.256 4.150 -6.665 1.00 72.24 H new ATOM 0 HG3 GLU A 89 4.003 5.610 -5.729 1.00 72.24 H new ATOM 1402 N GLU A 90 7.352 4.132 -8.623 1.00 5.05 N ATOM 1403 CA GLU A 90 7.844 2.914 -9.246 1.00 64.24 C ATOM 1404 C GLU A 90 8.833 2.206 -8.317 1.00 42.35 C ATOM 1405 O GLU A 90 8.841 0.979 -8.234 1.00 45.31 O ATOM 1406 CB GLU A 90 8.484 3.211 -10.603 1.00 25.43 C ATOM 1407 CG GLU A 90 7.931 2.282 -11.686 1.00 31.10 C ATOM 1408 CD GLU A 90 6.850 2.983 -12.511 1.00 25.43 C ATOM 1409 OE1 GLU A 90 6.957 3.049 -13.744 1.00 53.11 O ATOM 1410 OE2 GLU A 90 5.871 3.470 -11.826 1.00 24.22 O1- ATOM 0 H GLU A 90 7.236 4.920 -9.260 1.00 5.05 H new ATOM 0 HA GLU A 90 6.997 2.250 -9.419 1.00 64.24 H new ATOM 0 HB2 GLU A 90 8.296 4.249 -10.878 1.00 25.43 H new ATOM 0 HB3 GLU A 90 9.565 3.091 -10.533 1.00 25.43 H new ATOM 0 HG2 GLU A 90 8.740 1.959 -12.341 1.00 31.10 H new ATOM 0 HG3 GLU A 90 7.517 1.386 -11.224 1.00 31.10 H new ATOM 1418 N ARG A 91 9.643 3.010 -7.643 1.00 31.35 N ATOM 1419 CA ARG A 91 10.633 2.475 -6.725 1.00 20.15 C ATOM 1420 C ARG A 91 9.957 1.977 -5.446 1.00 3.32 C ATOM 1421 O ARG A 91 10.127 0.821 -5.060 1.00 1.04 O ATOM 1422 CB ARG A 91 11.676 3.535 -6.361 1.00 14.11 C ATOM 1423 CG ARG A 91 12.699 3.705 -7.485 1.00 42.25 C ATOM 1424 CD ARG A 91 13.775 4.722 -7.098 1.00 41.32 C ATOM 1425 NE ARG A 91 13.307 6.093 -7.402 1.00 5.33 N ATOM 1426 CZ ARG A 91 13.751 7.201 -6.772 1.00 1.11 C ATOM 1427 NH1 ARG A 91 14.678 7.108 -5.795 1.00 41.21 N ATOM 1428 NH2 ARG A 91 13.264 8.376 -7.125 1.00 32.24 N1+ ATOM 0 H ARG A 91 9.633 4.027 -7.715 1.00 31.35 H new ATOM 0 HA ARG A 91 11.133 1.645 -7.224 1.00 20.15 H new ATOM 0 HB2 ARG A 91 11.181 4.487 -6.168 1.00 14.11 H new ATOM 0 HB3 ARG A 91 12.185 3.248 -5.441 1.00 14.11 H new ATOM 0 HG2 ARG A 91 13.164 2.744 -7.706 1.00 42.25 H new ATOM 0 HG3 ARG A 91 12.195 4.032 -8.394 1.00 42.25 H new ATOM 0 HD2 ARG A 91 14.005 4.634 -6.036 1.00 41.32 H new ATOM 0 HD3 ARG A 91 14.696 4.514 -7.642 1.00 41.32 H new ATOM 0 HE ARG A 91 12.605 6.208 -8.133 1.00 5.33 H new ATOM 0 HH11 ARG A 91 15.048 6.196 -5.528 1.00 41.21 H new ATOM 0 HH12 ARG A 91 15.008 7.950 -5.324 1.00 41.21 H new ATOM 0 HH21 ARG A 91 12.563 8.437 -7.864 1.00 32.24 H new ATOM 0 HH22 ARG A 91 13.589 9.223 -6.659 1.00 32.24 H new ATOM 1441 N ALA A 92 9.202 2.871 -4.826 1.00 43.14 N ATOM 1442 CA ALA A 92 8.499 2.536 -3.599 1.00 61.50 C ATOM 1443 C ALA A 92 7.751 1.215 -3.790 1.00 12.24 C ATOM 1444 O ALA A 92 7.986 0.253 -3.059 1.00 11.23 O ATOM 1445 CB ALA A 92 7.565 3.685 -3.215 1.00 62.14 C ATOM 0 H ALA A 92 9.061 3.828 -5.150 1.00 43.14 H new ATOM 0 HA ALA A 92 9.203 2.401 -2.778 1.00 61.50 H new ATOM 0 HB1 ALA A 92 7.038 3.433 -2.295 1.00 62.14 H new ATOM 0 HB2 ALA A 92 8.149 4.593 -3.062 1.00 62.14 H new ATOM 0 HB3 ALA A 92 6.842 3.849 -4.014 1.00 62.14 H new ATOM 1451 N ASP A 93 6.866 1.211 -4.776 1.00 75.33 N ATOM 1452 CA ASP A 93 6.081 0.023 -5.072 1.00 73.40 C ATOM 1453 C ASP A 93 7.015 -1.181 -5.199 1.00 31.00 C ATOM 1454 O ASP A 93 6.855 -2.174 -4.489 1.00 62.34 O ATOM 1455 CB ASP A 93 5.327 0.177 -6.395 1.00 62.14 C ATOM 1456 CG ASP A 93 4.071 1.048 -6.325 1.00 74.20 C ATOM 1457 OD1 ASP A 93 3.716 1.573 -5.259 1.00 71.11 O ATOM 1458 OD2 ASP A 93 3.438 1.182 -7.441 1.00 64.24 O1- ATOM 0 H ASP A 93 6.675 2.010 -5.380 1.00 75.33 H new ATOM 0 HA ASP A 93 5.365 -0.119 -4.262 1.00 73.40 H new ATOM 0 HB2 ASP A 93 6.005 0.602 -7.135 1.00 62.14 H new ATOM 0 HB3 ASP A 93 5.045 -0.813 -6.753 1.00 62.14 H new ATOM 1464 N LEU A 94 7.973 -1.055 -6.106 1.00 12.24 N ATOM 1465 CA LEU A 94 8.933 -2.122 -6.334 1.00 1.33 C ATOM 1466 C LEU A 94 9.499 -2.588 -4.991 1.00 21.32 C ATOM 1467 O LEU A 94 9.785 -3.771 -4.811 1.00 4.12 O ATOM 1468 CB LEU A 94 10.003 -1.674 -7.331 1.00 1.22 C ATOM 1469 CG LEU A 94 11.174 -2.639 -7.537 1.00 64.13 C ATOM 1470 CD1 LEU A 94 10.718 -3.907 -8.259 1.00 14.55 C ATOM 1471 CD2 LEU A 94 12.330 -1.950 -8.264 1.00 54.24 C ATOM 0 H LEU A 94 8.105 -0.230 -6.692 1.00 12.24 H new ATOM 0 HA LEU A 94 8.445 -2.983 -6.790 1.00 1.33 H new ATOM 0 HB2 LEU A 94 9.524 -1.504 -8.295 1.00 1.22 H new ATOM 0 HB3 LEU A 94 10.402 -0.715 -6.999 1.00 1.22 H new ATOM 0 HG LEU A 94 11.544 -2.942 -6.557 1.00 64.13 H new ATOM 0 HD11 LEU A 94 11.569 -4.575 -8.393 1.00 14.55 H new ATOM 0 HD12 LEU A 94 9.953 -4.408 -7.666 1.00 14.55 H new ATOM 0 HD13 LEU A 94 10.307 -3.643 -9.234 1.00 14.55 H new ATOM 0 HD21 LEU A 94 13.149 -2.657 -8.398 1.00 54.24 H new ATOM 0 HD22 LEU A 94 11.990 -1.600 -9.239 1.00 54.24 H new ATOM 0 HD23 LEU A 94 12.676 -1.101 -7.674 1.00 54.24 H new ATOM 1483 N ILE A 95 9.646 -1.634 -4.084 1.00 21.15 N ATOM 1484 CA ILE A 95 10.173 -1.931 -2.763 1.00 63.21 C ATOM 1485 C ILE A 95 9.090 -2.620 -1.929 1.00 63.41 C ATOM 1486 O ILE A 95 9.389 -3.492 -1.115 1.00 23.11 O ATOM 1487 CB ILE A 95 10.737 -0.667 -2.114 1.00 43.12 C ATOM 1488 CG1 ILE A 95 12.090 -0.293 -2.726 1.00 32.14 C ATOM 1489 CG2 ILE A 95 10.820 -0.820 -0.593 1.00 73.02 C ATOM 1490 CD1 ILE A 95 12.454 1.157 -2.404 1.00 73.24 C ATOM 0 H ILE A 95 9.409 -0.654 -4.238 1.00 21.15 H new ATOM 0 HA ILE A 95 11.010 -2.625 -2.835 1.00 63.21 H new ATOM 0 HB ILE A 95 10.052 0.156 -2.318 1.00 43.12 H new ATOM 0 HG12 ILE A 95 12.863 -0.959 -2.344 1.00 32.14 H new ATOM 0 HG13 ILE A 95 12.055 -0.432 -3.807 1.00 32.14 H new ATOM 0 HG21 ILE A 95 11.224 0.093 -0.157 1.00 73.02 H new ATOM 0 HG22 ILE A 95 9.824 -1.004 -0.191 1.00 73.02 H new ATOM 0 HG23 ILE A 95 11.471 -1.659 -0.347 1.00 73.02 H new ATOM 0 HD11 ILE A 95 13.419 1.398 -2.850 1.00 73.24 H new ATOM 0 HD12 ILE A 95 11.691 1.822 -2.809 1.00 73.24 H new ATOM 0 HD13 ILE A 95 12.511 1.286 -1.323 1.00 73.24 H new ATOM 1502 N ALA A 96 7.854 -2.201 -2.162 1.00 32.22 N ATOM 1503 CA ALA A 96 6.726 -2.767 -1.443 1.00 61.14 C ATOM 1504 C ALA A 96 6.691 -4.280 -1.663 1.00 33.13 C ATOM 1505 O ALA A 96 6.149 -5.019 -0.843 1.00 22.11 O ATOM 1506 CB ALA A 96 5.435 -2.082 -1.898 1.00 55.41 C ATOM 0 H ALA A 96 7.610 -1.477 -2.838 1.00 32.22 H new ATOM 0 HA ALA A 96 6.829 -2.593 -0.372 1.00 61.14 H new ATOM 0 HB1 ALA A 96 4.588 -2.507 -1.359 1.00 55.41 H new ATOM 0 HB2 ALA A 96 5.498 -1.014 -1.692 1.00 55.41 H new ATOM 0 HB3 ALA A 96 5.298 -2.237 -2.968 1.00 55.41 H new ATOM 1512 N TYR A 97 7.279 -4.697 -2.774 1.00 60.33 N ATOM 1513 CA TYR A 97 7.324 -6.109 -3.114 1.00 13.11 C ATOM 1514 C TYR A 97 8.664 -6.728 -2.712 1.00 22.34 C ATOM 1515 O TYR A 97 8.714 -7.869 -2.257 1.00 64.42 O ATOM 1516 CB TYR A 97 7.176 -6.183 -4.635 1.00 3.14 C ATOM 1517 CG TYR A 97 7.659 -7.501 -5.244 1.00 15.05 C ATOM 1518 CD1 TYR A 97 7.461 -8.687 -4.568 1.00 21.51 C ATOM 1519 CD2 TYR A 97 8.295 -7.503 -6.469 1.00 74.52 C ATOM 1520 CE1 TYR A 97 7.916 -9.927 -5.140 1.00 54.24 C ATOM 1521 CE2 TYR A 97 8.749 -8.743 -7.042 1.00 1.23 C ATOM 1522 CZ TYR A 97 8.538 -9.894 -6.349 1.00 73.54 C ATOM 1523 OH TYR A 97 8.968 -11.065 -6.891 1.00 60.45 O ATOM 0 H TYR A 97 7.729 -4.081 -3.451 1.00 60.33 H new ATOM 0 HA TYR A 97 6.538 -6.654 -2.591 1.00 13.11 H new ATOM 0 HB2 TYR A 97 6.128 -6.037 -4.895 1.00 3.14 H new ATOM 0 HB3 TYR A 97 7.733 -5.361 -5.084 1.00 3.14 H new ATOM 0 HD1 TYR A 97 6.964 -8.685 -3.609 1.00 21.51 H new ATOM 0 HD2 TYR A 97 8.452 -6.574 -6.998 1.00 74.52 H new ATOM 0 HE1 TYR A 97 7.767 -10.862 -4.621 1.00 54.24 H new ATOM 0 HE2 TYR A 97 9.246 -8.759 -8.001 1.00 1.23 H new ATOM 0 HH TYR A 97 9.605 -10.877 -7.612 1.00 60.45 H new ATOM 1533 N LEU A 98 9.718 -5.947 -2.896 1.00 52.20 N ATOM 1534 CA LEU A 98 11.055 -6.404 -2.559 1.00 32.23 C ATOM 1535 C LEU A 98 11.207 -6.449 -1.036 1.00 0.11 C ATOM 1536 O LEU A 98 12.139 -7.063 -0.520 1.00 31.23 O ATOM 1537 CB LEU A 98 12.109 -5.539 -3.255 1.00 12.22 C ATOM 1538 CG LEU A 98 12.243 -5.733 -4.767 1.00 61.35 C ATOM 1539 CD1 LEU A 98 13.529 -5.089 -5.290 1.00 55.52 C ATOM 1540 CD2 LEU A 98 12.152 -7.215 -5.139 1.00 14.05 C ATOM 0 H LEU A 98 9.673 -5.001 -3.274 1.00 52.20 H new ATOM 0 HA LEU A 98 11.213 -7.418 -2.926 1.00 32.23 H new ATOM 0 HB2 LEU A 98 11.876 -4.492 -3.062 1.00 12.22 H new ATOM 0 HB3 LEU A 98 13.077 -5.740 -2.796 1.00 12.22 H new ATOM 0 HG LEU A 98 11.409 -5.227 -5.252 1.00 61.35 H new ATOM 0 HD11 LEU A 98 13.600 -5.241 -6.367 1.00 55.52 H new ATOM 0 HD12 LEU A 98 13.515 -4.021 -5.075 1.00 55.52 H new ATOM 0 HD13 LEU A 98 14.390 -5.546 -4.801 1.00 55.52 H new ATOM 0 HD21 LEU A 98 12.250 -7.326 -6.219 1.00 14.05 H new ATOM 0 HD22 LEU A 98 12.953 -7.764 -4.644 1.00 14.05 H new ATOM 0 HD23 LEU A 98 11.188 -7.612 -4.820 1.00 14.05 H new ATOM 1552 N LYS A 99 10.274 -5.792 -0.362 1.00 42.13 N ATOM 1553 CA LYS A 99 10.291 -5.749 1.091 1.00 65.14 C ATOM 1554 C LYS A 99 9.366 -6.838 1.638 1.00 74.10 C ATOM 1555 O LYS A 99 9.515 -7.265 2.782 1.00 12.40 O ATOM 1556 CB LYS A 99 9.951 -4.343 1.589 1.00 53.10 C ATOM 1557 CG LYS A 99 9.803 -4.323 3.112 1.00 51.40 C ATOM 1558 CD LYS A 99 9.392 -2.933 3.604 1.00 53.31 C ATOM 1559 CE LYS A 99 9.749 -2.748 5.081 1.00 14.20 C ATOM 1560 NZ LYS A 99 9.297 -1.423 5.560 1.00 30.50 N1+ ATOM 0 H LYS A 99 9.502 -5.285 -0.795 1.00 42.13 H new ATOM 0 HA LYS A 99 11.291 -5.961 1.469 1.00 65.14 H new ATOM 0 HB2 LYS A 99 10.733 -3.647 1.287 1.00 53.10 H new ATOM 0 HB3 LYS A 99 9.025 -4.003 1.125 1.00 53.10 H new ATOM 0 HG2 LYS A 99 9.057 -5.057 3.418 1.00 51.40 H new ATOM 0 HG3 LYS A 99 10.745 -4.613 3.577 1.00 51.40 H new ATOM 0 HD2 LYS A 99 9.891 -2.169 3.007 1.00 53.31 H new ATOM 0 HD3 LYS A 99 8.320 -2.796 3.465 1.00 53.31 H new ATOM 0 HE2 LYS A 99 9.284 -3.534 5.675 1.00 14.20 H new ATOM 0 HE3 LYS A 99 10.827 -2.842 5.216 1.00 14.20 H new ATOM 0 HZ1 LYS A 99 10.033 -1.002 6.163 1.00 30.50 H new ATOM 0 HZ2 LYS A 99 9.119 -0.801 4.745 1.00 30.50 H new ATOM 0 HZ3 LYS A 99 8.421 -1.533 6.109 1.00 30.50 H new ATOM 1573 N LYS A 100 8.431 -7.254 0.798 1.00 45.50 N ATOM 1574 CA LYS A 100 7.481 -8.284 1.184 1.00 71.42 C ATOM 1575 C LYS A 100 7.954 -9.635 0.644 1.00 15.31 C ATOM 1576 O LYS A 100 7.519 -10.683 1.117 1.00 13.03 O ATOM 1577 CB LYS A 100 6.068 -7.904 0.738 1.00 23.01 C ATOM 1578 CG LYS A 100 5.031 -8.865 1.323 1.00 62.30 C ATOM 1579 CD LYS A 100 3.676 -8.696 0.634 1.00 21.42 C ATOM 1580 CE LYS A 100 3.690 -9.319 -0.764 1.00 4.03 C ATOM 1581 NZ LYS A 100 3.523 -10.787 -0.679 1.00 72.11 N1+ ATOM 0 H LYS A 100 8.310 -6.897 -0.150 1.00 45.50 H new ATOM 0 HA LYS A 100 7.434 -8.372 2.269 1.00 71.42 H new ATOM 0 HB2 LYS A 100 5.844 -6.885 1.055 1.00 23.01 H new ATOM 0 HB3 LYS A 100 6.010 -7.919 -0.350 1.00 23.01 H new ATOM 0 HG2 LYS A 100 5.376 -9.892 1.207 1.00 62.30 H new ATOM 0 HG3 LYS A 100 4.924 -8.683 2.392 1.00 62.30 H new ATOM 0 HD2 LYS A 100 2.897 -9.163 1.236 1.00 21.42 H new ATOM 0 HD3 LYS A 100 3.431 -7.636 0.561 1.00 21.42 H new ATOM 0 HE2 LYS A 100 2.890 -8.890 -1.368 1.00 4.03 H new ATOM 0 HE3 LYS A 100 4.629 -9.082 -1.265 1.00 4.03 H new ATOM 0 HZ1 LYS A 100 3.501 -11.190 -1.638 1.00 72.11 H new ATOM 0 HZ2 LYS A 100 4.319 -11.197 -0.149 1.00 72.11 H new ATOM 0 HZ3 LYS A 100 2.632 -11.007 -0.190 1.00 72.11 H new ATOM 1594 N ALA A 101 8.838 -9.567 -0.340 1.00 64.02 N ATOM 1595 CA ALA A 101 9.375 -10.772 -0.949 1.00 24.13 C ATOM 1596 C ALA A 101 10.475 -11.344 -0.054 1.00 72.45 C ATOM 1597 O ALA A 101 10.702 -12.553 -0.038 1.00 21.11 O ATOM 1598 CB ALA A 101 9.878 -10.451 -2.358 1.00 75.14 C ATOM 0 H ALA A 101 9.196 -8.696 -0.731 1.00 64.02 H new ATOM 0 HA ALA A 101 8.600 -11.532 -1.045 1.00 24.13 H new ATOM 0 HB1 ALA A 101 10.281 -11.355 -2.815 1.00 75.14 H new ATOM 0 HB2 ALA A 101 9.052 -10.076 -2.962 1.00 75.14 H new ATOM 0 HB3 ALA A 101 10.660 -9.693 -2.301 1.00 75.14 H new ATOM 1604 N THR A 102 11.130 -10.450 0.671 1.00 15.34 N ATOM 1605 CA THR A 102 12.201 -10.851 1.568 1.00 4.43 C ATOM 1606 C THR A 102 11.720 -10.826 3.019 1.00 51.23 C ATOM 1607 O THR A 102 12.492 -10.530 3.929 1.00 33.25 O ATOM 1608 CB THR A 102 13.401 -9.936 1.309 1.00 53.10 C ATOM 1609 OG1 THR A 102 12.955 -8.651 1.734 1.00 60.21 O ATOM 1610 CG2 THR A 102 13.690 -9.757 -0.182 1.00 73.13 C ATOM 0 H THR A 102 10.940 -9.448 0.656 1.00 15.34 H new ATOM 0 HA THR A 102 12.510 -11.879 1.380 1.00 4.43 H new ATOM 0 HB THR A 102 14.283 -10.345 1.802 1.00 53.10 H new ATOM 0 HG1 THR A 102 12.668 -8.130 0.955 1.00 60.21 H new ATOM 0 HG21 THR A 102 14.550 -9.100 -0.310 1.00 73.13 H new ATOM 0 HG22 THR A 102 13.905 -10.727 -0.630 1.00 73.13 H new ATOM 0 HG23 THR A 102 12.821 -9.317 -0.671 1.00 73.13 H new ATOM 1618 N ASN A 103 10.444 -11.140 3.191 1.00 70.44 N ATOM 1619 CA ASN A 103 9.849 -11.158 4.517 1.00 11.44 C ATOM 1620 C ASN A 103 9.232 -12.533 4.776 1.00 44.21 C ATOM 1621 O ASN A 103 9.495 -13.152 5.805 1.00 20.15 O ATOM 1622 CB ASN A 103 8.740 -10.112 4.636 1.00 54.20 C ATOM 1623 CG ASN A 103 8.201 -10.045 6.067 1.00 33.53 C ATOM 1624 OD1 ASN A 103 8.796 -9.456 6.955 1.00 4.43 O ATOM 1625 ND2 ASN A 103 7.046 -10.679 6.241 1.00 23.31 N ATOM 0 H ASN A 103 9.806 -11.384 2.434 1.00 70.44 H new ATOM 0 HA ASN A 103 10.633 -10.937 5.242 1.00 11.44 H new ATOM 0 HB2 ASN A 103 9.124 -9.135 4.342 1.00 54.20 H new ATOM 0 HB3 ASN A 103 7.930 -10.356 3.949 1.00 54.20 H new ATOM 0 HD21 ASN A 103 6.605 -10.692 7.161 1.00 23.31 H new ATOM 0 HD22 ASN A 103 6.601 -11.152 5.455 1.00 23.31 H new ATOM 1632 N GLU A 104 8.423 -12.972 3.822 1.00 23.13 N ATOM 1633 CA GLU A 104 7.766 -14.264 3.935 1.00 54.13 C ATOM 1634 C GLU A 104 8.745 -15.314 4.463 1.00 73.12 C ATOM 1635 O GLU A 104 8.370 -16.465 4.678 1.00 31.02 O ATOM 1636 CB GLU A 104 7.172 -14.695 2.592 1.00 64.13 C ATOM 1637 CG GLU A 104 6.211 -13.635 2.052 1.00 74.30 C ATOM 1638 CD GLU A 104 5.163 -14.264 1.130 1.00 30.24 C ATOM 1639 OE1 GLU A 104 5.500 -14.712 0.024 1.00 70.41 O ATOM 1640 OE2 GLU A 104 3.962 -14.278 1.600 1.00 71.21 O1- ATOM 0 H GLU A 104 8.208 -12.457 2.968 1.00 23.13 H new ATOM 0 HA GLU A 104 6.945 -14.171 4.646 1.00 54.13 H new ATOM 0 HB2 GLU A 104 7.974 -14.864 1.873 1.00 64.13 H new ATOM 0 HB3 GLU A 104 6.645 -15.642 2.710 1.00 64.13 H new ATOM 0 HG2 GLU A 104 5.715 -13.132 2.882 1.00 74.30 H new ATOM 0 HG3 GLU A 104 6.771 -12.875 1.507 1.00 74.30 H new