USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 612 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 77 ASN : amide:sc= -1.53 K(o=-1.9,f=-1.1) USER MOD Set 1.2: A 80 SER OG : rot 78:sc= -0.386 USER MOD Set 2.1: A 11 HIS : no HD1:sc= -0.0929 X(o=-0.052,f=-0.27) USER MOD Set 2.2: A 31 ASN : amide:sc= 0.0411 X(o=-0.052,f=-0.32) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= 0.0225 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.26) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc=-0.00873 X(o=-0.0087,f=-0.27) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -155:sc= 1.39 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc=-0.00352 USER MOD Single : A 25 GLN : amide:sc= -5.5! C(o=-5.5!,f=-6.2!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -68:sc= 1.23 USER MOD Single : A 38 SER OG : rot -101:sc= 1.03 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= -0.153 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.0155 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0712 X(o=-0.071,f=-0.073) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -0.661 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.162 USER MOD Single : A 67 SER OG : rot -63:sc= 0.57 USER MOD Single : A 68 SER OG : rot 77:sc= 0.899 USER MOD Single : A 71 SER OG : rot -42:sc= 0.874 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -0.312 USER MOD Single : A 84 GLN : amide:sc= -1.42! C(o=-1.4!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.522 0.415 -4.652 1.00 44.42 N ATOM 2 CA MET A 1 4.203 0.453 -4.032 1.00 22.02 C ATOM 3 C MET A 1 3.108 0.547 -5.089 1.00 73.31 C ATOM 4 O MET A 1 3.339 1.037 -6.193 1.00 54.14 O ATOM 5 CB MET A 1 4.102 1.638 -3.070 1.00 2.15 C ATOM 6 CG MET A 1 4.073 1.231 -1.605 1.00 42.22 C ATOM 7 SD MET A 1 5.696 1.328 -0.825 1.00 52.40 S ATOM 8 CE MET A 1 5.714 -0.199 0.110 1.00 60.31 C ATOM 0 H1 MET A 1 6.230 0.786 -3.986 1.00 44.42 H new ATOM 0 H2 MET A 1 5.761 -0.566 -4.900 1.00 44.42 H new ATOM 0 H3 MET A 1 5.518 0.999 -5.513 1.00 44.42 H new ATOM 0 HA MET A 1 4.065 -0.472 -3.473 1.00 22.02 H new ATOM 0 HB2 MET A 1 4.949 2.304 -3.237 1.00 2.15 H new ATOM 0 HB3 MET A 1 3.200 2.205 -3.299 1.00 2.15 H new ATOM 0 HG2 MET A 1 3.377 1.874 -1.067 1.00 42.22 H new ATOM 0 HG3 MET A 1 3.695 0.212 -1.522 1.00 42.22 H new ATOM 0 HE1 MET A 1 6.657 -0.284 0.649 1.00 60.31 H new ATOM 0 HE2 MET A 1 4.888 -0.200 0.821 1.00 60.31 H new ATOM 0 HE3 MET A 1 5.608 -1.044 -0.571 1.00 60.31 H new ATOM 18 N ASN A 2 1.915 0.073 -4.743 1.00 22.12 N ATOM 19 CA ASN A 2 0.784 0.103 -5.663 1.00 62.22 C ATOM 20 C ASN A 2 -0.316 1.023 -5.143 1.00 73.50 C ATOM 21 O ASN A 2 -0.700 0.950 -3.976 1.00 71.31 O ATOM 22 CB ASN A 2 0.230 -1.308 -5.869 1.00 60.41 C ATOM 23 CG ASN A 2 -0.578 -1.792 -4.680 1.00 4.41 C ATOM 24 OD1 ASN A 2 -1.807 -1.726 -4.683 1.00 21.44 O ATOM 25 ND2 ASN A 2 0.112 -2.280 -3.655 1.00 42.44 N ATOM 0 H ASN A 2 1.707 -0.336 -3.832 1.00 22.12 H new ATOM 0 HA ASN A 2 1.135 0.491 -6.619 1.00 62.22 H new ATOM 0 HB2 ASN A 2 -0.397 -1.323 -6.761 1.00 60.41 H new ATOM 0 HB3 ASN A 2 1.056 -1.997 -6.048 1.00 60.41 H new ATOM 0 HD21 ASN A 2 -0.377 -2.619 -2.827 1.00 42.44 H new ATOM 0 HD22 ASN A 2 1.131 -2.315 -3.696 1.00 42.44 H new ATOM 32 N ALA A 3 -0.820 1.887 -6.018 1.00 20.02 N ATOM 33 CA ALA A 3 -1.878 2.819 -5.648 1.00 41.01 C ATOM 34 C ALA A 3 -2.643 3.297 -6.878 1.00 2.14 C ATOM 35 O ALA A 3 -2.492 4.440 -7.308 1.00 54.12 O ATOM 36 CB ALA A 3 -1.296 4.004 -4.892 1.00 15.41 C ATOM 0 H ALA A 3 -0.513 1.961 -6.988 1.00 20.02 H new ATOM 0 HA ALA A 3 -2.579 2.296 -4.997 1.00 41.01 H new ATOM 0 HB1 ALA A 3 -2.097 4.692 -4.622 1.00 15.41 H new ATOM 0 HB2 ALA A 3 -0.801 3.651 -3.988 1.00 15.41 H new ATOM 0 HB3 ALA A 3 -0.573 4.519 -5.524 1.00 15.41 H new ATOM 42 N ALA A 4 -3.463 2.415 -7.439 1.00 22.52 N ATOM 43 CA ALA A 4 -4.252 2.747 -8.618 1.00 50.42 C ATOM 44 C ALA A 4 -5.522 1.906 -8.684 1.00 62.35 C ATOM 45 O ALA A 4 -5.464 0.697 -8.907 1.00 75.11 O ATOM 46 CB ALA A 4 -3.423 2.556 -9.879 1.00 61.34 C ATOM 0 H ALA A 4 -3.598 1.464 -7.095 1.00 22.52 H new ATOM 0 HA ALA A 4 -4.545 3.794 -8.545 1.00 50.42 H new ATOM 0 HB1 ALA A 4 -4.025 2.808 -10.752 1.00 61.34 H new ATOM 0 HB2 ALA A 4 -2.549 3.206 -9.842 1.00 61.34 H new ATOM 0 HB3 ALA A 4 -3.100 1.517 -9.948 1.00 61.34 H new ATOM 52 N GLU A 5 -6.666 2.553 -8.489 1.00 54.02 N ATOM 53 CA GLU A 5 -7.950 1.862 -8.526 1.00 21.04 C ATOM 54 C GLU A 5 -8.596 1.987 -9.902 1.00 54.22 C ATOM 55 O GLU A 5 -8.382 2.968 -10.614 1.00 51.42 O ATOM 56 CB GLU A 5 -8.888 2.425 -7.456 1.00 52.43 C ATOM 57 CG GLU A 5 -8.230 2.596 -6.097 1.00 61.35 C ATOM 58 CD GLU A 5 -9.058 2.010 -4.970 1.00 61.55 C ATOM 59 OE1 GLU A 5 -9.976 2.704 -4.486 1.00 43.40 O ATOM 60 OE2 GLU A 5 -8.788 0.857 -4.573 1.00 34.02 O ATOM 0 H GLU A 5 -6.731 3.554 -8.304 1.00 54.02 H new ATOM 0 HA GLU A 5 -7.771 0.806 -8.323 1.00 21.04 H new ATOM 0 HB2 GLU A 5 -9.268 3.390 -7.790 1.00 52.43 H new ATOM 0 HB3 GLU A 5 -9.747 1.762 -7.353 1.00 52.43 H new ATOM 0 HG2 GLU A 5 -7.250 2.118 -6.109 1.00 61.35 H new ATOM 0 HG3 GLU A 5 -8.065 3.657 -5.908 1.00 61.35 H new ATOM 67 N VAL A 6 -9.389 0.985 -10.271 1.00 4.42 N ATOM 68 CA VAL A 6 -10.067 0.982 -11.561 1.00 52.53 C ATOM 69 C VAL A 6 -11.507 0.501 -11.424 1.00 31.31 C ATOM 70 O VAL A 6 -11.761 -0.695 -11.276 1.00 64.22 O ATOM 71 CB VAL A 6 -9.334 0.089 -12.579 1.00 45.22 C ATOM 72 CG1 VAL A 6 -10.275 -0.330 -13.698 1.00 20.21 C ATOM 73 CG2 VAL A 6 -8.115 0.809 -13.138 1.00 74.21 C ATOM 0 H VAL A 6 -9.577 0.165 -9.694 1.00 4.42 H new ATOM 0 HA VAL A 6 -10.063 2.010 -11.922 1.00 52.53 H new ATOM 0 HB VAL A 6 -8.994 -0.811 -12.067 1.00 45.22 H new ATOM 0 HG11 VAL A 6 -9.739 -0.960 -14.407 1.00 20.21 H new ATOM 0 HG12 VAL A 6 -11.113 -0.887 -13.279 1.00 20.21 H new ATOM 0 HG13 VAL A 6 -10.648 0.557 -14.211 1.00 20.21 H new ATOM 0 HG21 VAL A 6 -7.609 0.164 -13.856 1.00 74.21 H new ATOM 0 HG22 VAL A 6 -8.430 1.727 -13.634 1.00 74.21 H new ATOM 0 HG23 VAL A 6 -7.432 1.053 -12.325 1.00 74.21 H new ATOM 83 N ILE A 7 -12.446 1.439 -11.474 1.00 14.11 N ATOM 84 CA ILE A 7 -13.861 1.110 -11.357 1.00 35.24 C ATOM 85 C ILE A 7 -14.595 1.359 -12.670 1.00 44.22 C ATOM 86 O ILE A 7 -14.552 2.461 -13.218 1.00 61.22 O ATOM 87 CB ILE A 7 -14.539 1.927 -10.241 1.00 20.35 C ATOM 88 CG1 ILE A 7 -16.020 1.558 -10.137 1.00 14.55 C ATOM 89 CG2 ILE A 7 -14.375 3.417 -10.501 1.00 20.33 C ATOM 90 CD1 ILE A 7 -16.732 2.235 -8.986 1.00 22.24 C ATOM 0 H ILE A 7 -12.253 2.433 -11.595 1.00 14.11 H new ATOM 0 HA ILE A 7 -13.918 0.051 -11.107 1.00 35.24 H new ATOM 0 HB ILE A 7 -14.057 1.689 -9.293 1.00 20.35 H new ATOM 0 HG12 ILE A 7 -16.519 1.824 -11.069 1.00 14.55 H new ATOM 0 HG13 ILE A 7 -16.110 0.478 -10.024 1.00 14.55 H new ATOM 0 HG21 ILE A 7 -14.859 3.981 -9.704 1.00 20.33 H new ATOM 0 HG22 ILE A 7 -13.314 3.667 -10.529 1.00 20.33 H new ATOM 0 HG23 ILE A 7 -14.834 3.672 -11.456 1.00 20.33 H new ATOM 0 HD11 ILE A 7 -17.778 1.927 -8.973 1.00 22.24 H new ATOM 0 HD12 ILE A 7 -16.258 1.949 -8.047 1.00 22.24 H new ATOM 0 HD13 ILE A 7 -16.674 3.317 -9.108 1.00 22.24 H new ATOM 102 N VAL A 8 -15.269 0.329 -13.170 1.00 71.52 N ATOM 103 CA VAL A 8 -16.015 0.436 -14.418 1.00 61.03 C ATOM 104 C VAL A 8 -17.410 -0.163 -14.278 1.00 63.44 C ATOM 105 O VAL A 8 -17.666 -0.963 -13.378 1.00 2.44 O ATOM 106 CB VAL A 8 -15.279 -0.268 -15.574 1.00 52.21 C ATOM 107 CG1 VAL A 8 -14.016 0.494 -15.946 1.00 31.23 C ATOM 108 CG2 VAL A 8 -14.954 -1.706 -15.201 1.00 30.23 C ATOM 0 H VAL A 8 -15.314 -0.590 -12.730 1.00 71.52 H new ATOM 0 HA VAL A 8 -16.101 1.499 -14.645 1.00 61.03 H new ATOM 0 HB VAL A 8 -15.935 -0.282 -16.444 1.00 52.21 H new ATOM 0 HG11 VAL A 8 -13.510 -0.018 -16.764 1.00 31.23 H new ATOM 0 HG12 VAL A 8 -14.279 1.505 -16.258 1.00 31.23 H new ATOM 0 HG13 VAL A 8 -13.353 0.542 -15.082 1.00 31.23 H new ATOM 0 HG21 VAL A 8 -14.434 -2.188 -16.029 1.00 30.23 H new ATOM 0 HG22 VAL A 8 -14.317 -1.717 -14.317 1.00 30.23 H new ATOM 0 HG23 VAL A 8 -15.878 -2.245 -14.989 1.00 30.23 H new ATOM 118 N TYR A 9 -18.308 0.227 -15.176 1.00 0.45 N ATOM 119 CA TYR A 9 -19.678 -0.270 -15.151 1.00 55.24 C ATOM 120 C TYR A 9 -20.026 -0.973 -16.460 1.00 21.22 C ATOM 121 O TYR A 9 -19.798 -0.438 -17.544 1.00 0.30 O ATOM 122 CB TYR A 9 -20.656 0.880 -14.902 1.00 50.04 C ATOM 123 CG TYR A 9 -20.596 1.432 -13.496 1.00 44.32 C ATOM 124 CD1 TYR A 9 -19.439 2.032 -13.013 1.00 64.34 C ATOM 125 CD2 TYR A 9 -21.695 1.354 -12.650 1.00 3.10 C ATOM 126 CE1 TYR A 9 -19.378 2.537 -11.729 1.00 54.11 C ATOM 127 CE2 TYR A 9 -21.644 1.858 -11.365 1.00 11.22 C ATOM 128 CZ TYR A 9 -20.484 2.448 -10.909 1.00 2.41 C ATOM 129 OH TYR A 9 -20.429 2.950 -9.629 1.00 1.42 O ATOM 0 H TYR A 9 -18.112 0.885 -15.930 1.00 0.45 H new ATOM 0 HA TYR A 9 -19.761 -0.991 -14.338 1.00 55.24 H new ATOM 0 HB2 TYR A 9 -20.446 1.684 -15.608 1.00 50.04 H new ATOM 0 HB3 TYR A 9 -21.670 0.534 -15.105 1.00 50.04 H new ATOM 0 HD1 TYR A 9 -18.572 2.105 -13.653 1.00 64.34 H new ATOM 0 HD2 TYR A 9 -22.605 0.891 -13.003 1.00 3.10 H new ATOM 0 HE1 TYR A 9 -18.470 2.999 -11.369 1.00 54.11 H new ATOM 0 HE2 TYR A 9 -22.508 1.790 -10.721 1.00 11.22 H new ATOM 0 HH TYR A 9 -21.291 2.808 -9.185 1.00 1.42 H new ATOM 139 N GLU A 10 -20.580 -2.177 -16.348 1.00 43.43 N ATOM 140 CA GLU A 10 -20.959 -2.954 -17.522 1.00 62.12 C ATOM 141 C GLU A 10 -22.429 -2.736 -17.868 1.00 31.04 C ATOM 142 O GLU A 10 -23.073 -3.600 -18.464 1.00 12.21 O ATOM 143 CB GLU A 10 -20.695 -4.442 -17.283 1.00 31.22 C ATOM 144 CG GLU A 10 -19.276 -4.870 -17.615 1.00 64.05 C ATOM 145 CD GLU A 10 -18.241 -3.857 -17.166 1.00 64.11 C ATOM 146 OE1 GLU A 10 -18.212 -3.534 -15.960 1.00 55.20 O ATOM 147 OE2 GLU A 10 -17.459 -3.388 -18.020 1.00 13.24 O ATOM 0 H GLU A 10 -20.776 -2.634 -15.458 1.00 43.43 H new ATOM 0 HA GLU A 10 -20.352 -2.615 -18.362 1.00 62.12 H new ATOM 0 HB2 GLU A 10 -20.901 -4.675 -16.238 1.00 31.22 H new ATOM 0 HB3 GLU A 10 -21.392 -5.027 -17.884 1.00 31.22 H new ATOM 0 HG2 GLU A 10 -19.070 -5.829 -17.141 1.00 64.05 H new ATOM 0 HG3 GLU A 10 -19.188 -5.021 -18.691 1.00 64.05 H new ATOM 154 N HIS A 11 -22.954 -1.575 -17.488 1.00 73.30 N ATOM 155 CA HIS A 11 -24.349 -1.243 -17.757 1.00 43.42 C ATOM 156 C HIS A 11 -24.675 0.166 -17.270 1.00 20.11 C ATOM 157 O HIS A 11 -23.785 0.918 -16.873 1.00 11.30 O ATOM 158 CB HIS A 11 -25.276 -2.255 -17.084 1.00 63.21 C ATOM 159 CG HIS A 11 -26.167 -2.982 -18.044 1.00 2.22 C ATOM 160 ND1 HIS A 11 -26.794 -2.363 -19.104 1.00 40.25 N ATOM 161 CD2 HIS A 11 -26.533 -4.284 -18.100 1.00 13.44 C ATOM 162 CE1 HIS A 11 -27.509 -3.252 -19.770 1.00 71.11 C ATOM 163 NE2 HIS A 11 -27.368 -4.426 -19.181 1.00 4.20 N ATOM 0 H HIS A 11 -22.435 -0.849 -16.994 1.00 73.30 H new ATOM 0 HA HIS A 11 -24.504 -1.281 -18.835 1.00 43.42 H new ATOM 0 HB2 HIS A 11 -24.673 -2.982 -16.539 1.00 63.21 H new ATOM 0 HB3 HIS A 11 -25.893 -1.738 -16.349 1.00 63.21 H new ATOM 0 HD2 HIS A 11 -26.226 -5.066 -17.421 1.00 13.44 H new ATOM 0 HE1 HIS A 11 -28.107 -3.053 -20.647 1.00 71.11 H new ATOM 0 HE2 HIS A 11 -27.808 -5.296 -19.480 1.00 4.20 H new ATOM 171 N VAL A 12 -25.957 0.517 -17.304 1.00 22.54 N ATOM 172 CA VAL A 12 -26.401 1.834 -16.865 1.00 44.33 C ATOM 173 C VAL A 12 -26.095 2.054 -15.388 1.00 43.00 C ATOM 174 O VAL A 12 -26.153 1.123 -14.587 1.00 31.44 O ATOM 175 CB VAL A 12 -27.911 2.024 -17.099 1.00 51.43 C ATOM 176 CG1 VAL A 12 -28.708 1.008 -16.295 1.00 51.44 C ATOM 177 CG2 VAL A 12 -28.330 3.443 -16.746 1.00 12.42 C ATOM 0 H VAL A 12 -26.706 -0.093 -17.631 1.00 22.54 H new ATOM 0 HA VAL A 12 -25.854 2.566 -17.459 1.00 44.33 H new ATOM 0 HB VAL A 12 -28.121 1.860 -18.156 1.00 51.43 H new ATOM 0 HG11 VAL A 12 -29.773 1.158 -16.473 1.00 51.44 H new ATOM 0 HG12 VAL A 12 -28.427 0.000 -16.601 1.00 51.44 H new ATOM 0 HG13 VAL A 12 -28.496 1.137 -15.234 1.00 51.44 H new ATOM 0 HG21 VAL A 12 -29.400 3.560 -16.917 1.00 12.42 H new ATOM 0 HG22 VAL A 12 -28.107 3.638 -15.697 1.00 12.42 H new ATOM 0 HG23 VAL A 12 -27.783 4.150 -17.370 1.00 12.42 H new ATOM 187 N ASN A 13 -25.769 3.293 -15.035 1.00 3.12 N ATOM 188 CA ASN A 13 -25.453 3.636 -13.653 1.00 32.02 C ATOM 189 C ASN A 13 -26.554 3.160 -12.709 1.00 50.45 C ATOM 190 O ASN A 13 -26.297 2.414 -11.764 1.00 51.43 O ATOM 191 CB ASN A 13 -25.263 5.147 -13.511 1.00 44.42 C ATOM 192 CG ASN A 13 -25.189 5.588 -12.062 1.00 31.42 C ATOM 193 OD1 ASN A 13 -26.211 5.861 -11.432 1.00 40.31 O ATOM 194 ND2 ASN A 13 -23.976 5.658 -11.526 1.00 12.02 N ATOM 0 H ASN A 13 -25.717 4.076 -15.686 1.00 3.12 H new ATOM 0 HA ASN A 13 -24.524 3.133 -13.383 1.00 32.02 H new ATOM 0 HB2 ASN A 13 -24.350 5.445 -14.026 1.00 44.42 H new ATOM 0 HB3 ASN A 13 -26.088 5.662 -14.003 1.00 44.42 H new ATOM 0 HD21 ASN A 13 -23.864 5.947 -10.554 1.00 12.02 H new ATOM 0 HD22 ASN A 13 -23.157 5.422 -12.086 1.00 12.02 H new ATOM 201 N PHE A 14 -27.781 3.597 -12.973 1.00 71.23 N ATOM 202 CA PHE A 14 -28.922 3.216 -12.148 1.00 43.42 C ATOM 203 C PHE A 14 -29.529 1.903 -12.632 1.00 54.15 C ATOM 204 O PHE A 14 -30.748 1.769 -12.731 1.00 13.34 O ATOM 205 CB PHE A 14 -29.982 4.319 -12.167 1.00 10.33 C ATOM 206 CG PHE A 14 -30.395 4.731 -13.551 1.00 4.21 C ATOM 207 CD1 PHE A 14 -29.699 5.718 -14.231 1.00 21.22 C ATOM 208 CD2 PHE A 14 -31.479 4.132 -14.172 1.00 64.01 C ATOM 209 CE1 PHE A 14 -30.076 6.099 -15.505 1.00 24.11 C ATOM 210 CE2 PHE A 14 -31.860 4.509 -15.446 1.00 63.40 C ATOM 211 CZ PHE A 14 -31.158 5.494 -16.113 1.00 12.12 C ATOM 0 H PHE A 14 -28.011 4.215 -13.751 1.00 71.23 H new ATOM 0 HA PHE A 14 -28.570 3.077 -11.126 1.00 43.42 H new ATOM 0 HB2 PHE A 14 -30.861 3.976 -11.621 1.00 10.33 H new ATOM 0 HB3 PHE A 14 -29.597 5.190 -11.637 1.00 10.33 H new ATOM 0 HD1 PHE A 14 -28.852 6.195 -13.760 1.00 21.22 H new ATOM 0 HD2 PHE A 14 -32.032 3.362 -13.655 1.00 64.01 H new ATOM 0 HE1 PHE A 14 -29.525 6.869 -16.024 1.00 24.11 H new ATOM 0 HE2 PHE A 14 -32.706 4.034 -15.920 1.00 63.40 H new ATOM 0 HZ PHE A 14 -31.455 5.790 -17.108 1.00 12.12 H new ATOM 221 N GLY A 15 -28.669 0.936 -12.935 1.00 22.53 N ATOM 222 CA GLY A 15 -29.138 -0.354 -13.406 1.00 33.31 C ATOM 223 C GLY A 15 -28.021 -1.204 -13.978 1.00 73.15 C ATOM 224 O GLY A 15 -28.194 -1.858 -15.006 1.00 21.31 O ATOM 0 H GLY A 15 -27.655 1.023 -12.863 1.00 22.53 H new ATOM 0 HA2 GLY A 15 -29.611 -0.888 -12.582 1.00 33.31 H new ATOM 0 HA3 GLY A 15 -29.902 -0.203 -14.168 1.00 33.31 H new ATOM 228 N GLY A 16 -26.870 -1.193 -13.312 1.00 75.44 N ATOM 229 CA GLY A 16 -25.737 -1.971 -13.777 1.00 71.34 C ATOM 230 C GLY A 16 -24.770 -2.311 -12.661 1.00 20.32 C ATOM 231 O GLY A 16 -24.825 -1.723 -11.581 1.00 3.23 O ATOM 0 H GLY A 16 -26.702 -0.659 -12.459 1.00 75.44 H new ATOM 0 HA2 GLY A 16 -26.096 -2.892 -14.235 1.00 71.34 H new ATOM 0 HA3 GLY A 16 -25.211 -1.414 -14.552 1.00 71.34 H new ATOM 235 N LYS A 17 -23.882 -3.265 -12.919 1.00 61.14 N ATOM 236 CA LYS A 17 -22.898 -3.684 -11.928 1.00 61.14 C ATOM 237 C LYS A 17 -21.622 -2.857 -12.045 1.00 64.25 C ATOM 238 O LYS A 17 -21.362 -2.243 -13.080 1.00 4.41 O ATOM 239 CB LYS A 17 -22.573 -5.170 -12.099 1.00 0.14 C ATOM 240 CG LYS A 17 -21.634 -5.458 -13.257 1.00 71.32 C ATOM 241 CD LYS A 17 -20.257 -5.876 -12.769 1.00 13.14 C ATOM 242 CE LYS A 17 -20.199 -7.367 -12.474 1.00 61.13 C ATOM 243 NZ LYS A 17 -19.644 -7.644 -11.120 1.00 40.04 N ATOM 0 H LYS A 17 -23.824 -3.763 -13.807 1.00 61.14 H new ATOM 0 HA LYS A 17 -23.325 -3.523 -10.938 1.00 61.14 H new ATOM 0 HB2 LYS A 17 -22.126 -5.544 -11.178 1.00 0.14 H new ATOM 0 HB3 LYS A 17 -23.501 -5.721 -12.249 1.00 0.14 H new ATOM 0 HG2 LYS A 17 -22.055 -6.247 -13.880 1.00 71.32 H new ATOM 0 HG3 LYS A 17 -21.545 -4.570 -13.883 1.00 71.32 H new ATOM 0 HD2 LYS A 17 -19.511 -5.624 -13.522 1.00 13.14 H new ATOM 0 HD3 LYS A 17 -20.003 -5.316 -11.869 1.00 13.14 H new ATOM 0 HE2 LYS A 17 -21.200 -7.791 -12.550 1.00 61.13 H new ATOM 0 HE3 LYS A 17 -19.585 -7.862 -13.226 1.00 61.13 H new ATOM 0 HZ1 LYS A 17 -19.621 -8.671 -10.958 1.00 40.04 H new ATOM 0 HZ2 LYS A 17 -18.679 -7.262 -11.056 1.00 40.04 H new ATOM 0 HZ3 LYS A 17 -20.244 -7.193 -10.400 1.00 40.04 H new ATOM 257 N SER A 18 -20.828 -2.848 -10.979 1.00 50.42 N ATOM 258 CA SER A 18 -19.580 -2.094 -10.962 1.00 64.21 C ATOM 259 C SER A 18 -18.561 -2.751 -10.036 1.00 31.43 C ATOM 260 O SER A 18 -18.908 -3.242 -8.961 1.00 70.11 O ATOM 261 CB SER A 18 -19.835 -0.653 -10.517 1.00 53.12 C ATOM 262 OG SER A 18 -21.079 -0.539 -9.847 1.00 42.13 O ATOM 0 H SER A 18 -21.027 -3.354 -10.116 1.00 50.42 H new ATOM 0 HA SER A 18 -19.175 -2.088 -11.974 1.00 64.21 H new ATOM 0 HB2 SER A 18 -19.032 -0.325 -9.857 1.00 53.12 H new ATOM 0 HB3 SER A 18 -19.824 0.006 -11.385 1.00 53.12 H new ATOM 0 HG SER A 18 -21.408 0.381 -9.923 1.00 42.13 H new ATOM 268 N PHE A 19 -17.302 -2.757 -10.460 1.00 42.01 N ATOM 269 CA PHE A 19 -16.231 -3.354 -9.670 1.00 75.42 C ATOM 270 C PHE A 19 -14.981 -2.480 -9.699 1.00 71.34 C ATOM 271 O PHE A 19 -14.485 -2.124 -10.768 1.00 42.51 O ATOM 272 CB PHE A 19 -15.902 -4.753 -10.195 1.00 22.54 C ATOM 273 CG PHE A 19 -15.820 -4.828 -11.692 1.00 63.35 C ATOM 274 CD1 PHE A 19 -16.965 -4.988 -12.455 1.00 55.31 C ATOM 275 CD2 PHE A 19 -14.597 -4.739 -12.338 1.00 1.31 C ATOM 276 CE1 PHE A 19 -16.892 -5.058 -13.833 1.00 55.45 C ATOM 277 CE2 PHE A 19 -14.518 -4.808 -13.716 1.00 42.51 C ATOM 278 CZ PHE A 19 -15.667 -4.966 -14.465 1.00 34.22 C ATOM 0 H PHE A 19 -16.998 -2.355 -11.347 1.00 42.01 H new ATOM 0 HA PHE A 19 -16.574 -3.431 -8.638 1.00 75.42 H new ATOM 0 HB2 PHE A 19 -14.952 -5.077 -9.771 1.00 22.54 H new ATOM 0 HB3 PHE A 19 -16.662 -5.451 -9.845 1.00 22.54 H new ATOM 0 HD1 PHE A 19 -17.926 -5.059 -11.967 1.00 55.31 H new ATOM 0 HD2 PHE A 19 -13.695 -4.614 -11.757 1.00 1.31 H new ATOM 0 HE1 PHE A 19 -17.792 -5.185 -14.416 1.00 55.45 H new ATOM 0 HE2 PHE A 19 -13.558 -4.738 -14.207 1.00 42.51 H new ATOM 0 HZ PHE A 19 -15.608 -5.018 -15.542 1.00 34.22 H new ATOM 288 N ASP A 20 -14.478 -2.139 -8.518 1.00 42.24 N ATOM 289 CA ASP A 20 -13.285 -1.307 -8.407 1.00 52.12 C ATOM 290 C ASP A 20 -12.110 -2.112 -7.861 1.00 70.04 C ATOM 291 O ASP A 20 -12.212 -2.741 -6.809 1.00 25.13 O ATOM 292 CB ASP A 20 -13.559 -0.104 -7.503 1.00 50.01 C ATOM 293 CG ASP A 20 -13.747 -0.501 -6.052 1.00 75.22 C ATOM 294 OD1 ASP A 20 -14.522 -1.446 -5.791 1.00 43.10 O ATOM 295 OD2 ASP A 20 -13.120 0.132 -5.178 1.00 11.01 O ATOM 0 H ASP A 20 -14.877 -2.425 -7.624 1.00 42.24 H new ATOM 0 HA ASP A 20 -13.026 -0.951 -9.404 1.00 52.12 H new ATOM 0 HB2 ASP A 20 -12.731 0.600 -7.580 1.00 50.01 H new ATOM 0 HB3 ASP A 20 -14.452 0.414 -7.853 1.00 50.01 H new ATOM 300 N ALA A 21 -10.996 -2.088 -8.586 1.00 21.15 N ATOM 301 CA ALA A 21 -9.801 -2.815 -8.174 1.00 13.24 C ATOM 302 C ALA A 21 -8.577 -2.345 -8.952 1.00 11.43 C ATOM 303 O ALA A 21 -8.699 -1.653 -9.964 1.00 22.15 O ATOM 304 CB ALA A 21 -10.004 -4.311 -8.359 1.00 21.44 C ATOM 0 H ALA A 21 -10.896 -1.573 -9.461 1.00 21.15 H new ATOM 0 HA ALA A 21 -9.628 -2.611 -7.117 1.00 13.24 H new ATOM 0 HB1 ALA A 21 -9.104 -4.842 -8.048 1.00 21.44 H new ATOM 0 HB2 ALA A 21 -10.848 -4.641 -7.753 1.00 21.44 H new ATOM 0 HB3 ALA A 21 -10.206 -4.524 -9.409 1.00 21.44 H new ATOM 310 N THR A 22 -7.396 -2.723 -8.473 1.00 61.32 N ATOM 311 CA THR A 22 -6.149 -2.339 -9.123 1.00 12.12 C ATOM 312 C THR A 22 -5.785 -3.315 -10.236 1.00 15.21 C ATOM 313 O THR A 22 -6.596 -4.155 -10.627 1.00 44.11 O ATOM 314 CB THR A 22 -4.987 -2.272 -8.114 1.00 32.53 C ATOM 315 OG1 THR A 22 -4.601 -3.595 -7.723 1.00 54.02 O ATOM 316 CG2 THR A 22 -5.384 -1.470 -6.884 1.00 20.45 C ATOM 0 H THR A 22 -7.277 -3.295 -7.637 1.00 61.32 H new ATOM 0 HA THR A 22 -6.308 -1.349 -9.550 1.00 12.12 H new ATOM 0 HB THR A 22 -4.145 -1.775 -8.596 1.00 32.53 H new ATOM 0 HG1 THR A 22 -3.861 -3.544 -7.083 1.00 54.02 H new ATOM 0 HG21 THR A 22 -4.548 -1.437 -6.186 1.00 20.45 H new ATOM 0 HG22 THR A 22 -5.649 -0.455 -7.181 1.00 20.45 H new ATOM 0 HG23 THR A 22 -6.240 -1.943 -6.402 1.00 20.45 H new ATOM 324 N SER A 23 -4.562 -3.199 -10.742 1.00 1.31 N ATOM 325 CA SER A 23 -4.092 -4.069 -11.813 1.00 61.50 C ATOM 326 C SER A 23 -3.948 -5.506 -11.321 1.00 63.41 C ATOM 327 O SER A 23 -2.922 -5.879 -10.751 1.00 34.04 O ATOM 328 CB SER A 23 -2.753 -3.568 -12.356 1.00 43.34 C ATOM 329 OG SER A 23 -2.041 -4.610 -13.001 1.00 52.22 O ATOM 0 H SER A 23 -3.878 -2.511 -10.427 1.00 1.31 H new ATOM 0 HA SER A 23 -4.831 -4.049 -12.614 1.00 61.50 H new ATOM 0 HB2 SER A 23 -2.924 -2.752 -13.058 1.00 43.34 H new ATOM 0 HB3 SER A 23 -2.154 -3.165 -11.539 1.00 43.34 H new ATOM 0 HG SER A 23 -1.190 -4.263 -13.340 1.00 52.22 H new ATOM 335 N ASP A 24 -4.982 -6.309 -11.546 1.00 54.44 N ATOM 336 CA ASP A 24 -4.972 -7.705 -11.128 1.00 33.53 C ATOM 337 C ASP A 24 -6.209 -8.436 -11.641 1.00 14.40 C ATOM 338 O ASP A 24 -6.145 -9.613 -11.992 1.00 62.24 O ATOM 339 CB ASP A 24 -4.904 -7.802 -9.603 1.00 25.52 C ATOM 340 CG ASP A 24 -3.628 -8.466 -9.122 1.00 33.42 C ATOM 341 OD1 ASP A 24 -3.366 -9.615 -9.534 1.00 73.51 O ATOM 342 OD2 ASP A 24 -2.893 -7.837 -8.332 1.00 63.34 O ATOM 0 H ASP A 24 -5.839 -6.016 -12.016 1.00 54.44 H new ATOM 0 HA ASP A 24 -4.089 -8.180 -11.555 1.00 33.53 H new ATOM 0 HB2 ASP A 24 -4.974 -6.802 -9.175 1.00 25.52 H new ATOM 0 HB3 ASP A 24 -5.763 -8.365 -9.239 1.00 25.52 H new ATOM 347 N GLN A 25 -7.334 -7.728 -11.680 1.00 31.41 N ATOM 348 CA GLN A 25 -8.586 -8.311 -12.149 1.00 11.55 C ATOM 349 C GLN A 25 -8.630 -8.353 -13.672 1.00 62.44 C ATOM 350 O GLN A 25 -7.858 -7.683 -14.359 1.00 34.00 O ATOM 351 CB GLN A 25 -9.776 -7.511 -11.615 1.00 30.13 C ATOM 352 CG GLN A 25 -10.064 -6.246 -12.407 1.00 61.22 C ATOM 353 CD GLN A 25 -10.339 -5.050 -11.517 1.00 74.15 C ATOM 354 OE1 GLN A 25 -11.356 -4.999 -10.824 1.00 5.31 O ATOM 355 NE2 GLN A 25 -9.433 -4.080 -11.532 1.00 52.45 N ATOM 0 H GLN A 25 -7.404 -6.752 -11.393 1.00 31.41 H new ATOM 0 HA GLN A 25 -8.645 -9.333 -11.774 1.00 11.55 H new ATOM 0 HB2 GLN A 25 -10.663 -8.145 -11.624 1.00 30.13 H new ATOM 0 HB3 GLN A 25 -9.586 -7.243 -10.576 1.00 30.13 H new ATOM 0 HG2 GLN A 25 -9.215 -6.025 -13.053 1.00 61.22 H new ATOM 0 HG3 GLN A 25 -10.923 -6.416 -13.056 1.00 61.22 H new ATOM 0 HE21 GLN A 25 -8.605 -4.165 -12.122 1.00 52.45 H new ATOM 0 HE22 GLN A 25 -9.565 -3.250 -10.954 1.00 52.45 H new ATOM 364 N PRO A 26 -9.553 -9.161 -14.216 1.00 1.41 N ATOM 365 CA PRO A 26 -9.719 -9.310 -15.665 1.00 33.23 C ATOM 366 C PRO A 26 -9.708 -7.969 -16.391 1.00 20.50 C ATOM 367 O PRO A 26 -9.283 -7.880 -17.542 1.00 2.51 O ATOM 368 CB PRO A 26 -11.090 -9.979 -15.797 1.00 51.51 C ATOM 369 CG PRO A 26 -11.260 -10.749 -14.533 1.00 44.13 C ATOM 370 CD PRO A 26 -10.506 -9.989 -13.458 1.00 43.00 C ATOM 0 HA PRO A 26 -8.905 -9.881 -16.112 1.00 33.23 H new ATOM 0 HB2 PRO A 26 -11.881 -9.239 -15.919 1.00 51.51 H new ATOM 0 HB3 PRO A 26 -11.129 -10.634 -16.668 1.00 51.51 H new ATOM 0 HG2 PRO A 26 -12.315 -10.842 -14.275 1.00 44.13 H new ATOM 0 HG3 PRO A 26 -10.868 -11.760 -14.640 1.00 44.13 H new ATOM 0 HD2 PRO A 26 -11.177 -9.377 -12.856 1.00 43.00 H new ATOM 0 HD3 PRO A 26 -9.993 -10.666 -12.775 1.00 43.00 H new ATOM 378 N GLY A 27 -10.178 -6.929 -15.710 1.00 50.51 N ATOM 379 CA GLY A 27 -10.212 -5.606 -16.307 1.00 35.11 C ATOM 380 C GLY A 27 -10.918 -5.594 -17.648 1.00 52.43 C ATOM 381 O GLY A 27 -10.395 -5.063 -18.628 1.00 0.15 O ATOM 0 H GLY A 27 -10.536 -6.978 -14.756 1.00 50.51 H new ATOM 0 HA2 GLY A 27 -10.715 -4.917 -15.629 1.00 35.11 H new ATOM 0 HA3 GLY A 27 -9.193 -5.241 -16.433 1.00 35.11 H new ATOM 385 N ALA A 28 -12.109 -6.181 -17.694 1.00 73.40 N ATOM 386 CA ALA A 28 -12.888 -6.235 -18.925 1.00 63.42 C ATOM 387 C ALA A 28 -14.382 -6.157 -18.634 1.00 34.15 C ATOM 388 O ALA A 28 -14.816 -6.374 -17.503 1.00 74.51 O ATOM 389 CB ALA A 28 -12.565 -7.505 -19.699 1.00 22.35 C ATOM 0 H ALA A 28 -12.556 -6.626 -16.892 1.00 73.40 H new ATOM 0 HA ALA A 28 -12.618 -5.372 -19.534 1.00 63.42 H new ATOM 0 HB1 ALA A 28 -13.154 -7.532 -20.616 1.00 22.35 H new ATOM 0 HB2 ALA A 28 -11.504 -7.519 -19.949 1.00 22.35 H new ATOM 0 HB3 ALA A 28 -12.805 -8.375 -19.088 1.00 22.35 H new ATOM 395 N GLY A 29 -15.166 -5.844 -19.661 1.00 61.23 N ATOM 396 CA GLY A 29 -16.604 -5.742 -19.494 1.00 2.22 C ATOM 397 C GLY A 29 -17.329 -7.001 -19.925 1.00 62.13 C ATOM 398 O GLY A 29 -17.412 -7.300 -21.117 1.00 31.23 O ATOM 0 H GLY A 29 -14.831 -5.659 -20.606 1.00 61.23 H new ATOM 0 HA2 GLY A 29 -16.831 -5.536 -18.448 1.00 2.22 H new ATOM 0 HA3 GLY A 29 -16.975 -4.897 -20.074 1.00 2.22 H new ATOM 402 N ASP A 30 -17.853 -7.742 -18.955 1.00 52.32 N ATOM 403 CA ASP A 30 -18.574 -8.977 -19.241 1.00 15.52 C ATOM 404 C ASP A 30 -20.081 -8.762 -19.139 1.00 13.30 C ATOM 405 O ASP A 30 -20.652 -8.805 -18.050 1.00 70.11 O ATOM 406 CB ASP A 30 -18.138 -10.082 -18.278 1.00 11.44 C ATOM 407 CG ASP A 30 -17.153 -11.045 -18.910 1.00 1.12 C ATOM 408 OD1 ASP A 30 -15.964 -10.683 -19.032 1.00 43.22 O ATOM 409 OD2 ASP A 30 -17.571 -12.161 -19.281 1.00 63.34 O ATOM 0 H ASP A 30 -17.792 -7.509 -17.964 1.00 52.32 H new ATOM 0 HA ASP A 30 -18.336 -9.280 -20.261 1.00 15.52 H new ATOM 0 HB2 ASP A 30 -17.686 -9.632 -17.394 1.00 11.44 H new ATOM 0 HB3 ASP A 30 -19.016 -10.634 -17.941 1.00 11.44 H new ATOM 414 N ASN A 31 -20.719 -8.529 -20.281 1.00 53.25 N ATOM 415 CA ASN A 31 -22.160 -8.305 -20.321 1.00 21.34 C ATOM 416 C ASN A 31 -22.707 -8.526 -21.728 1.00 4.02 C ATOM 417 O ASN A 31 -21.957 -8.523 -22.705 1.00 5.42 O ATOM 418 CB ASN A 31 -22.490 -6.888 -19.850 1.00 11.54 C ATOM 419 CG ASN A 31 -23.423 -6.878 -18.654 1.00 51.12 C ATOM 420 OD1 ASN A 31 -24.632 -6.696 -18.798 1.00 33.51 O ATOM 421 ND2 ASN A 31 -22.864 -7.074 -17.466 1.00 2.32 N ATOM 0 H ASN A 31 -20.261 -8.490 -21.192 1.00 53.25 H new ATOM 0 HA ASN A 31 -22.632 -9.023 -19.650 1.00 21.34 H new ATOM 0 HB2 ASN A 31 -21.567 -6.370 -19.591 1.00 11.54 H new ATOM 0 HB3 ASN A 31 -22.948 -6.333 -20.669 1.00 11.54 H new ATOM 0 HD21 ASN A 31 -23.441 -7.078 -16.625 1.00 2.32 H new ATOM 0 HD22 ASN A 31 -21.857 -7.221 -17.394 1.00 2.32 H new ATOM 428 N LEU A 32 -24.018 -8.717 -21.824 1.00 23.02 N ATOM 429 CA LEU A 32 -24.666 -8.939 -23.112 1.00 13.44 C ATOM 430 C LEU A 32 -25.261 -7.642 -23.652 1.00 61.21 C ATOM 431 O LEU A 32 -25.798 -6.832 -22.898 1.00 22.23 O ATOM 432 CB LEU A 32 -25.761 -9.998 -22.978 1.00 33.43 C ATOM 433 CG LEU A 32 -26.164 -10.714 -24.267 1.00 61.25 C ATOM 434 CD1 LEU A 32 -25.928 -12.211 -24.143 1.00 34.52 C ATOM 435 CD2 LEU A 32 -27.620 -10.428 -24.604 1.00 40.32 C ATOM 0 H LEU A 32 -24.653 -8.723 -21.026 1.00 23.02 H new ATOM 0 HA LEU A 32 -23.911 -9.292 -23.815 1.00 13.44 H new ATOM 0 HB2 LEU A 32 -25.428 -10.747 -22.259 1.00 33.43 H new ATOM 0 HB3 LEU A 32 -26.648 -9.524 -22.557 1.00 33.43 H new ATOM 0 HG LEU A 32 -25.543 -10.335 -25.079 1.00 61.25 H new ATOM 0 HD11 LEU A 32 -26.221 -12.704 -25.070 1.00 34.52 H new ATOM 0 HD12 LEU A 32 -24.872 -12.398 -23.951 1.00 34.52 H new ATOM 0 HD13 LEU A 32 -26.522 -12.606 -23.319 1.00 34.52 H new ATOM 0 HD21 LEU A 32 -27.889 -10.946 -25.525 1.00 40.32 H new ATOM 0 HD22 LEU A 32 -28.257 -10.778 -23.792 1.00 40.32 H new ATOM 0 HD23 LEU A 32 -27.759 -9.355 -24.738 1.00 40.32 H new ATOM 447 N ASN A 33 -25.163 -7.454 -24.964 1.00 42.02 N ATOM 448 CA ASN A 33 -25.693 -6.256 -25.606 1.00 65.53 C ATOM 449 C ASN A 33 -24.912 -5.018 -25.177 1.00 25.21 C ATOM 450 O ASN A 33 -24.759 -4.750 -23.985 1.00 33.10 O ATOM 451 CB ASN A 33 -27.174 -6.083 -25.265 1.00 41.42 C ATOM 452 CG ASN A 33 -28.052 -6.052 -26.501 1.00 70.32 C ATOM 453 OD1 ASN A 33 -28.482 -4.987 -26.945 1.00 20.51 O ATOM 454 ND2 ASN A 33 -28.323 -7.225 -27.063 1.00 43.43 N ATOM 0 H ASN A 33 -24.722 -8.115 -25.603 1.00 42.02 H new ATOM 0 HA ASN A 33 -25.587 -6.374 -26.684 1.00 65.53 H new ATOM 0 HB2 ASN A 33 -27.493 -6.899 -24.617 1.00 41.42 H new ATOM 0 HB3 ASN A 33 -27.309 -5.159 -24.703 1.00 41.42 H new ATOM 0 HD21 ASN A 33 -28.909 -7.268 -27.897 1.00 43.43 H new ATOM 0 HD22 ASN A 33 -27.945 -8.083 -26.661 1.00 43.43 H new ATOM 461 N ASP A 34 -24.419 -4.267 -26.156 1.00 34.12 N ATOM 462 CA ASP A 34 -23.655 -3.056 -25.880 1.00 54.01 C ATOM 463 C ASP A 34 -24.576 -1.921 -25.441 1.00 63.22 C ATOM 464 O ASP A 34 -24.765 -0.944 -26.167 1.00 24.44 O ATOM 465 CB ASP A 34 -22.861 -2.635 -27.118 1.00 32.53 C ATOM 466 CG ASP A 34 -21.447 -3.182 -27.112 1.00 32.45 C ATOM 467 OD1 ASP A 34 -20.864 -3.308 -26.014 1.00 72.41 O ATOM 468 OD2 ASP A 34 -20.924 -3.485 -28.204 1.00 60.20 O ATOM 0 H ASP A 34 -24.535 -4.476 -27.148 1.00 34.12 H new ATOM 0 HA ASP A 34 -22.960 -3.271 -25.068 1.00 54.01 H new ATOM 0 HB2 ASP A 34 -23.378 -2.982 -28.013 1.00 32.53 H new ATOM 0 HB3 ASP A 34 -22.826 -1.547 -27.171 1.00 32.53 H new ATOM 473 N LYS A 35 -25.147 -2.057 -24.249 1.00 72.14 N ATOM 474 CA LYS A 35 -26.048 -1.044 -23.712 1.00 70.14 C ATOM 475 C LYS A 35 -25.267 0.056 -23.000 1.00 72.14 C ATOM 476 O LYS A 35 -24.054 -0.050 -22.817 1.00 72.41 O ATOM 477 CB LYS A 35 -27.048 -1.682 -22.745 1.00 63.32 C ATOM 478 CG LYS A 35 -28.468 -1.729 -23.281 1.00 50.54 C ATOM 479 CD LYS A 35 -28.534 -2.434 -24.625 1.00 71.34 C ATOM 480 CE LYS A 35 -28.744 -1.447 -25.764 1.00 31.45 C ATOM 481 NZ LYS A 35 -30.184 -1.305 -26.115 1.00 51.33 N ATOM 0 H LYS A 35 -25.002 -2.859 -23.636 1.00 72.14 H new ATOM 0 HA LYS A 35 -26.592 -0.599 -24.545 1.00 70.14 H new ATOM 0 HB2 LYS A 35 -26.722 -2.696 -22.515 1.00 63.32 H new ATOM 0 HB3 LYS A 35 -27.041 -1.125 -21.808 1.00 63.32 H new ATOM 0 HG2 LYS A 35 -29.110 -2.244 -22.567 1.00 50.54 H new ATOM 0 HG3 LYS A 35 -28.853 -0.714 -23.382 1.00 50.54 H new ATOM 0 HD2 LYS A 35 -27.612 -2.991 -24.790 1.00 71.34 H new ATOM 0 HD3 LYS A 35 -29.347 -3.160 -24.617 1.00 71.34 H new ATOM 0 HE2 LYS A 35 -28.341 -0.474 -25.481 1.00 31.45 H new ATOM 0 HE3 LYS A 35 -28.187 -1.780 -26.640 1.00 31.45 H new ATOM 0 HZ1 LYS A 35 -30.286 -0.624 -26.895 1.00 51.33 H new ATOM 0 HZ2 LYS A 35 -30.562 -2.228 -26.409 1.00 51.33 H new ATOM 0 HZ3 LYS A 35 -30.711 -0.963 -25.286 1.00 51.33 H new ATOM 495 N ILE A 36 -25.970 1.110 -22.601 1.00 12.15 N ATOM 496 CA ILE A 36 -25.342 2.228 -21.906 1.00 75.44 C ATOM 497 C ILE A 36 -24.456 1.738 -20.766 1.00 13.51 C ATOM 498 O ILE A 36 -24.883 0.937 -19.934 1.00 42.34 O ATOM 499 CB ILE A 36 -26.393 3.202 -21.343 1.00 54.42 C ATOM 500 CG1 ILE A 36 -25.726 4.239 -20.438 1.00 5.34 C ATOM 501 CG2 ILE A 36 -27.468 2.441 -20.582 1.00 73.34 C ATOM 502 CD1 ILE A 36 -26.442 5.572 -20.414 1.00 25.51 C ATOM 0 H ILE A 36 -26.974 1.214 -22.747 1.00 12.15 H new ATOM 0 HA ILE A 36 -24.729 2.752 -22.639 1.00 75.44 H new ATOM 0 HB ILE A 36 -26.865 3.723 -22.176 1.00 54.42 H new ATOM 0 HG12 ILE A 36 -25.676 3.845 -19.423 1.00 5.34 H new ATOM 0 HG13 ILE A 36 -24.700 4.393 -20.771 1.00 5.34 H new ATOM 0 HG21 ILE A 36 -28.203 3.144 -20.190 1.00 73.34 H new ATOM 0 HG22 ILE A 36 -27.960 1.738 -21.254 1.00 73.34 H new ATOM 0 HG23 ILE A 36 -27.012 1.895 -19.756 1.00 73.34 H new ATOM 0 HD11 ILE A 36 -25.913 6.257 -19.752 1.00 25.51 H new ATOM 0 HD12 ILE A 36 -26.469 5.989 -21.421 1.00 25.51 H new ATOM 0 HD13 ILE A 36 -27.460 5.431 -20.052 1.00 25.51 H new ATOM 514 N SER A 37 -23.221 2.228 -20.732 1.00 62.52 N ATOM 515 CA SER A 37 -22.273 1.839 -19.695 1.00 21.14 C ATOM 516 C SER A 37 -21.597 3.065 -19.090 1.00 5.44 C ATOM 517 O SER A 37 -21.580 4.139 -19.691 1.00 53.14 O ATOM 518 CB SER A 37 -21.217 0.891 -20.267 1.00 75.04 C ATOM 519 OG SER A 37 -21.301 -0.389 -19.665 1.00 72.14 O ATOM 0 H SER A 37 -22.854 2.895 -21.411 1.00 62.52 H new ATOM 0 HA SER A 37 -22.825 1.324 -18.909 1.00 21.14 H new ATOM 0 HB2 SER A 37 -21.352 0.799 -21.345 1.00 75.04 H new ATOM 0 HB3 SER A 37 -20.223 1.308 -20.105 1.00 75.04 H new ATOM 0 HG SER A 37 -21.029 -0.327 -18.726 1.00 72.14 H new ATOM 525 N SER A 38 -21.039 2.897 -17.895 1.00 31.12 N ATOM 526 CA SER A 38 -20.364 3.990 -17.205 1.00 52.32 C ATOM 527 C SER A 38 -18.885 3.674 -17.003 1.00 14.24 C ATOM 528 O SER A 38 -18.533 2.638 -16.439 1.00 3.15 O ATOM 529 CB SER A 38 -21.030 4.257 -15.854 1.00 10.21 C ATOM 530 OG SER A 38 -20.066 4.568 -14.863 1.00 10.41 O ATOM 0 H SER A 38 -21.041 2.014 -17.385 1.00 31.12 H new ATOM 0 HA SER A 38 -20.445 4.883 -17.824 1.00 52.32 H new ATOM 0 HB2 SER A 38 -21.737 5.081 -15.950 1.00 10.21 H new ATOM 0 HB3 SER A 38 -21.602 3.381 -15.547 1.00 10.21 H new ATOM 0 HG SER A 38 -19.907 3.780 -14.302 1.00 10.41 H new ATOM 536 N ILE A 39 -18.026 4.575 -17.467 1.00 24.41 N ATOM 537 CA ILE A 39 -16.585 4.393 -17.336 1.00 53.12 C ATOM 538 C ILE A 39 -15.955 5.540 -16.553 1.00 54.25 C ATOM 539 O ILE A 39 -15.875 6.668 -17.040 1.00 1.40 O ATOM 540 CB ILE A 39 -15.903 4.291 -18.713 1.00 75.14 C ATOM 541 CG1 ILE A 39 -15.987 2.858 -19.243 1.00 70.11 C ATOM 542 CG2 ILE A 39 -14.454 4.744 -18.622 1.00 20.13 C ATOM 543 CD1 ILE A 39 -17.403 2.343 -19.371 1.00 34.42 C ATOM 0 H ILE A 39 -18.302 5.437 -17.937 1.00 24.41 H new ATOM 0 HA ILE A 39 -16.433 3.460 -16.794 1.00 53.12 H new ATOM 0 HB ILE A 39 -16.425 4.947 -19.410 1.00 75.14 H new ATOM 0 HG12 ILE A 39 -15.502 2.811 -20.218 1.00 70.11 H new ATOM 0 HG13 ILE A 39 -15.428 2.200 -18.577 1.00 70.11 H new ATOM 0 HG21 ILE A 39 -13.986 4.666 -19.603 1.00 20.13 H new ATOM 0 HG22 ILE A 39 -14.417 5.780 -18.284 1.00 20.13 H new ATOM 0 HG23 ILE A 39 -13.919 4.112 -17.914 1.00 20.13 H new ATOM 0 HD11 ILE A 39 -17.386 1.322 -19.752 1.00 34.42 H new ATOM 0 HD12 ILE A 39 -17.885 2.357 -18.394 1.00 34.42 H new ATOM 0 HD13 ILE A 39 -17.960 2.978 -20.060 1.00 34.42 H new ATOM 555 N LYS A 40 -15.508 5.244 -15.338 1.00 1.21 N ATOM 556 CA LYS A 40 -14.881 6.249 -14.487 1.00 75.10 C ATOM 557 C LYS A 40 -13.618 5.698 -13.833 1.00 73.55 C ATOM 558 O LYS A 40 -13.688 4.935 -12.869 1.00 52.23 O ATOM 559 CB LYS A 40 -15.862 6.718 -13.410 1.00 53.32 C ATOM 560 CG LYS A 40 -15.277 7.751 -12.463 1.00 2.04 C ATOM 561 CD LYS A 40 -15.241 7.239 -11.033 1.00 23.44 C ATOM 562 CE LYS A 40 -14.062 7.815 -10.264 1.00 0.25 C ATOM 563 NZ LYS A 40 -14.101 7.437 -8.824 1.00 3.13 N ATOM 0 H LYS A 40 -15.568 4.316 -14.920 1.00 1.21 H new ATOM 0 HA LYS A 40 -14.604 7.097 -15.113 1.00 75.10 H new ATOM 0 HB2 LYS A 40 -16.745 7.138 -13.892 1.00 53.32 H new ATOM 0 HB3 LYS A 40 -16.195 5.855 -12.833 1.00 53.32 H new ATOM 0 HG2 LYS A 40 -14.268 8.009 -12.783 1.00 2.04 H new ATOM 0 HG3 LYS A 40 -15.870 8.665 -12.509 1.00 2.04 H new ATOM 0 HD2 LYS A 40 -16.170 7.503 -10.528 1.00 23.44 H new ATOM 0 HD3 LYS A 40 -15.178 6.151 -11.037 1.00 23.44 H new ATOM 0 HE2 LYS A 40 -13.131 7.461 -10.707 1.00 0.25 H new ATOM 0 HE3 LYS A 40 -14.065 8.901 -10.355 1.00 0.25 H new ATOM 0 HZ1 LYS A 40 -13.281 7.849 -8.335 1.00 3.13 H new ATOM 0 HZ2 LYS A 40 -14.977 7.797 -8.394 1.00 3.13 H new ATOM 0 HZ3 LYS A 40 -14.072 6.401 -8.736 1.00 3.13 H new ATOM 577 N VAL A 41 -12.464 6.089 -14.364 1.00 21.14 N ATOM 578 CA VAL A 41 -11.185 5.636 -13.830 1.00 61.21 C ATOM 579 C VAL A 41 -10.099 6.686 -14.039 1.00 34.24 C ATOM 580 O VAL A 41 -10.132 7.444 -15.008 1.00 4.53 O ATOM 581 CB VAL A 41 -10.739 4.315 -14.486 1.00 13.30 C ATOM 582 CG1 VAL A 41 -9.419 3.845 -13.896 1.00 24.11 C ATOM 583 CG2 VAL A 41 -11.814 3.251 -14.324 1.00 52.21 C ATOM 0 H VAL A 41 -12.388 6.718 -15.163 1.00 21.14 H new ATOM 0 HA VAL A 41 -11.328 5.473 -12.762 1.00 61.21 H new ATOM 0 HB VAL A 41 -10.591 4.490 -15.552 1.00 13.30 H new ATOM 0 HG11 VAL A 41 -9.120 2.911 -14.371 1.00 24.11 H new ATOM 0 HG12 VAL A 41 -8.653 4.601 -14.069 1.00 24.11 H new ATOM 0 HG13 VAL A 41 -9.536 3.685 -12.824 1.00 24.11 H new ATOM 0 HG21 VAL A 41 -11.483 2.325 -14.793 1.00 52.21 H new ATOM 0 HG22 VAL A 41 -11.996 3.076 -13.264 1.00 52.21 H new ATOM 0 HG23 VAL A 41 -12.735 3.589 -14.799 1.00 52.21 H new ATOM 593 N LYS A 42 -9.138 6.724 -13.123 1.00 5.23 N ATOM 594 CA LYS A 42 -8.039 7.680 -13.206 1.00 34.35 C ATOM 595 C LYS A 42 -6.695 6.980 -13.035 1.00 61.40 C ATOM 596 O LYS A 42 -6.172 6.882 -11.925 1.00 45.22 O ATOM 597 CB LYS A 42 -8.200 8.766 -12.139 1.00 64.23 C ATOM 598 CG LYS A 42 -7.669 10.123 -12.569 1.00 32.33 C ATOM 599 CD LYS A 42 -6.211 10.044 -12.989 1.00 72.23 C ATOM 600 CE LYS A 42 -5.316 9.649 -11.825 1.00 2.00 C ATOM 601 NZ LYS A 42 -4.300 10.696 -11.527 1.00 3.13 N ATOM 0 H LYS A 42 -9.097 6.104 -12.314 1.00 5.23 H new ATOM 0 HA LYS A 42 -8.065 8.142 -14.193 1.00 34.35 H new ATOM 0 HB2 LYS A 42 -9.256 8.862 -11.886 1.00 64.23 H new ATOM 0 HB3 LYS A 42 -7.682 8.453 -11.232 1.00 64.23 H new ATOM 0 HG2 LYS A 42 -8.267 10.503 -13.397 1.00 32.33 H new ATOM 0 HG3 LYS A 42 -7.774 10.833 -11.748 1.00 32.33 H new ATOM 0 HD2 LYS A 42 -6.102 9.319 -13.795 1.00 72.23 H new ATOM 0 HD3 LYS A 42 -5.892 11.009 -13.383 1.00 72.23 H new ATOM 0 HE2 LYS A 42 -5.927 9.474 -10.940 1.00 2.00 H new ATOM 0 HE3 LYS A 42 -4.813 8.710 -12.056 1.00 2.00 H new ATOM 0 HZ1 LYS A 42 -3.710 10.389 -10.728 1.00 3.13 H new ATOM 0 HZ2 LYS A 42 -3.700 10.845 -12.363 1.00 3.13 H new ATOM 0 HZ3 LYS A 42 -4.780 11.586 -11.282 1.00 3.13 H new ATOM 615 N SER A 43 -6.141 6.495 -14.142 1.00 4.13 N ATOM 616 CA SER A 43 -4.858 5.802 -14.114 1.00 1.02 C ATOM 617 C SER A 43 -4.306 5.623 -15.525 1.00 12.40 C ATOM 618 O SER A 43 -4.691 4.701 -16.242 1.00 20.31 O ATOM 619 CB SER A 43 -5.006 4.439 -13.435 1.00 65.24 C ATOM 620 OG SER A 43 -6.354 4.003 -13.454 1.00 1.32 O ATOM 0 H SER A 43 -6.560 6.569 -15.069 1.00 4.13 H new ATOM 0 HA SER A 43 -4.157 6.410 -13.543 1.00 1.02 H new ATOM 0 HB2 SER A 43 -4.377 3.707 -13.941 1.00 65.24 H new ATOM 0 HB3 SER A 43 -4.656 4.503 -12.405 1.00 65.24 H new ATOM 0 HG SER A 43 -6.421 3.129 -13.015 1.00 1.32 H new ATOM 626 N GLY A 44 -3.401 6.515 -15.917 1.00 62.20 N ATOM 627 CA GLY A 44 -2.810 6.439 -17.240 1.00 51.34 C ATOM 628 C GLY A 44 -3.853 6.336 -18.336 1.00 22.53 C ATOM 629 O GLY A 44 -4.923 6.939 -18.245 1.00 45.11 O ATOM 0 H GLY A 44 -3.067 7.288 -15.342 1.00 62.20 H new ATOM 0 HA2 GLY A 44 -2.194 7.322 -17.411 1.00 51.34 H new ATOM 0 HA3 GLY A 44 -2.148 5.574 -17.290 1.00 51.34 H new ATOM 633 N THR A 45 -3.542 5.569 -19.376 1.00 63.14 N ATOM 634 CA THR A 45 -4.458 5.390 -20.495 1.00 53.33 C ATOM 635 C THR A 45 -4.871 3.930 -20.640 1.00 51.11 C ATOM 636 O THR A 45 -4.139 3.026 -20.238 1.00 71.31 O ATOM 637 CB THR A 45 -3.830 5.868 -21.818 1.00 61.10 C ATOM 638 OG1 THR A 45 -2.695 5.057 -22.142 1.00 2.30 O ATOM 639 CG2 THR A 45 -3.407 7.326 -21.721 1.00 20.12 C ATOM 0 H THR A 45 -2.662 5.061 -19.466 1.00 63.14 H new ATOM 0 HA THR A 45 -5.339 5.994 -20.281 1.00 53.33 H new ATOM 0 HB THR A 45 -4.579 5.776 -22.605 1.00 61.10 H new ATOM 0 HG1 THR A 45 -2.302 5.366 -22.985 1.00 2.30 H new ATOM 0 HG21 THR A 45 -2.966 7.641 -22.667 1.00 20.12 H new ATOM 0 HG22 THR A 45 -4.278 7.944 -21.503 1.00 20.12 H new ATOM 0 HG23 THR A 45 -2.673 7.440 -20.923 1.00 20.12 H new ATOM 647 N TRP A 46 -6.047 3.707 -21.217 1.00 5.13 N ATOM 648 CA TRP A 46 -6.556 2.355 -21.415 1.00 71.00 C ATOM 649 C TRP A 46 -7.159 2.199 -22.807 1.00 13.24 C ATOM 650 O TRP A 46 -7.815 3.109 -23.314 1.00 43.43 O ATOM 651 CB TRP A 46 -7.603 2.021 -20.351 1.00 55.44 C ATOM 652 CG TRP A 46 -7.632 3.002 -19.218 1.00 74.02 C ATOM 653 CD1 TRP A 46 -6.669 3.185 -18.268 1.00 23.00 C ATOM 654 CD2 TRP A 46 -8.678 3.932 -18.916 1.00 52.03 C ATOM 655 NE1 TRP A 46 -7.053 4.173 -17.393 1.00 65.24 N ATOM 656 CE2 TRP A 46 -8.281 4.648 -17.770 1.00 21.32 C ATOM 657 CE3 TRP A 46 -9.910 4.231 -19.504 1.00 12.43 C ATOM 658 CZ2 TRP A 46 -9.073 5.641 -17.201 1.00 54.44 C ATOM 659 CZ3 TRP A 46 -10.696 5.218 -18.938 1.00 63.31 C ATOM 660 CH2 TRP A 46 -10.275 5.914 -17.797 1.00 62.31 C ATOM 0 H TRP A 46 -6.665 4.444 -21.555 1.00 5.13 H new ATOM 0 HA TRP A 46 -5.720 1.661 -21.322 1.00 71.00 H new ATOM 0 HB2 TRP A 46 -8.587 1.987 -20.818 1.00 55.44 H new ATOM 0 HB3 TRP A 46 -7.403 1.025 -19.955 1.00 55.44 H new ATOM 0 HD1 TRP A 46 -5.742 2.634 -18.212 1.00 23.00 H new ATOM 0 HE1 TRP A 46 -6.511 4.499 -16.593 1.00 65.24 H new ATOM 0 HE3 TRP A 46 -10.242 3.701 -20.384 1.00 12.43 H new ATOM 0 HZ2 TRP A 46 -8.751 6.177 -16.321 1.00 54.44 H new ATOM 0 HZ3 TRP A 46 -11.651 5.456 -19.383 1.00 63.31 H new ATOM 0 HH2 TRP A 46 -10.911 6.681 -17.380 1.00 62.31 H new ATOM 671 N ARG A 47 -6.934 1.041 -23.418 1.00 51.14 N ATOM 672 CA ARG A 47 -7.455 0.768 -24.752 1.00 72.42 C ATOM 673 C ARG A 47 -8.773 0.002 -24.675 1.00 22.13 C ATOM 674 O ARG A 47 -8.798 -1.176 -24.317 1.00 14.12 O ATOM 675 CB ARG A 47 -6.436 -0.031 -25.567 1.00 52.12 C ATOM 676 CG ARG A 47 -5.112 0.689 -25.760 1.00 4.32 C ATOM 677 CD ARG A 47 -4.016 0.081 -24.898 1.00 72.22 C ATOM 678 NE ARG A 47 -2.715 0.120 -25.559 1.00 45.23 N ATOM 679 CZ ARG A 47 -1.691 -0.653 -25.213 1.00 50.35 C ATOM 680 NH1 ARG A 47 -1.818 -1.521 -24.219 1.00 43.24 N ATOM 681 NH2 ARG A 47 -0.538 -0.559 -25.863 1.00 42.51 N ATOM 0 H ARG A 47 -6.395 0.277 -23.011 1.00 51.14 H new ATOM 0 HA ARG A 47 -7.637 1.723 -25.246 1.00 72.42 H new ATOM 0 HB2 ARG A 47 -6.253 -0.984 -25.070 1.00 52.12 H new ATOM 0 HB3 ARG A 47 -6.862 -0.258 -26.544 1.00 52.12 H new ATOM 0 HG2 ARG A 47 -4.820 0.641 -26.809 1.00 4.32 H new ATOM 0 HG3 ARG A 47 -5.230 1.743 -25.510 1.00 4.32 H new ATOM 0 HD2 ARG A 47 -3.958 0.619 -23.952 1.00 72.22 H new ATOM 0 HD3 ARG A 47 -4.272 -0.952 -24.662 1.00 72.22 H new ATOM 0 HE ARG A 47 -2.585 0.777 -26.329 1.00 45.23 H new ATOM 0 HH11 ARG A 47 -2.703 -1.597 -23.718 1.00 43.24 H new ATOM 0 HH12 ARG A 47 -1.031 -2.113 -23.955 1.00 43.24 H new ATOM 0 HH21 ARG A 47 -0.437 0.107 -26.629 1.00 42.51 H new ATOM 0 HH22 ARG A 47 0.247 -1.153 -25.597 1.00 42.51 H new ATOM 695 N PHE A 48 -9.865 0.679 -25.012 1.00 34.00 N ATOM 696 CA PHE A 48 -11.187 0.063 -24.979 1.00 41.32 C ATOM 697 C PHE A 48 -11.557 -0.504 -26.347 1.00 3.04 C ATOM 698 O PHE A 48 -11.306 0.120 -27.378 1.00 64.31 O ATOM 699 CB PHE A 48 -12.238 1.084 -24.537 1.00 25.01 C ATOM 700 CG PHE A 48 -12.571 1.006 -23.074 1.00 64.14 C ATOM 701 CD1 PHE A 48 -13.550 0.138 -22.619 1.00 12.31 C ATOM 702 CD2 PHE A 48 -11.904 1.800 -22.155 1.00 61.41 C ATOM 703 CE1 PHE A 48 -13.859 0.065 -21.274 1.00 12.23 C ATOM 704 CE2 PHE A 48 -12.208 1.731 -20.809 1.00 32.55 C ATOM 705 CZ PHE A 48 -13.187 0.861 -20.367 1.00 45.33 C ATOM 0 H PHE A 48 -9.861 1.654 -25.311 1.00 34.00 H new ATOM 0 HA PHE A 48 -11.161 -0.756 -24.260 1.00 41.32 H new ATOM 0 HB2 PHE A 48 -11.878 2.087 -24.767 1.00 25.01 H new ATOM 0 HB3 PHE A 48 -13.148 0.931 -25.117 1.00 25.01 H new ATOM 0 HD1 PHE A 48 -14.078 -0.488 -23.323 1.00 12.31 H new ATOM 0 HD2 PHE A 48 -11.138 2.481 -22.495 1.00 61.41 H new ATOM 0 HE1 PHE A 48 -14.626 -0.614 -20.932 1.00 12.23 H new ATOM 0 HE2 PHE A 48 -11.681 2.356 -20.103 1.00 32.55 H new ATOM 0 HZ PHE A 48 -13.426 0.804 -19.315 1.00 45.33 H new ATOM 715 N TYR A 49 -12.154 -1.690 -26.346 1.00 61.41 N ATOM 716 CA TYR A 49 -12.556 -2.344 -27.586 1.00 21.22 C ATOM 717 C TYR A 49 -13.609 -3.415 -27.320 1.00 73.41 C ATOM 718 O TYR A 49 -13.435 -4.271 -26.453 1.00 3.43 O ATOM 719 CB TYR A 49 -11.341 -2.968 -28.275 1.00 52.33 C ATOM 720 CG TYR A 49 -10.337 -3.561 -27.313 1.00 73.41 C ATOM 721 CD1 TYR A 49 -10.547 -4.812 -26.744 1.00 3.40 C ATOM 722 CD2 TYR A 49 -9.180 -2.872 -26.972 1.00 71.23 C ATOM 723 CE1 TYR A 49 -9.633 -5.358 -25.864 1.00 3.12 C ATOM 724 CE2 TYR A 49 -8.260 -3.411 -26.094 1.00 60.33 C ATOM 725 CZ TYR A 49 -8.491 -4.654 -25.543 1.00 23.25 C ATOM 726 OH TYR A 49 -7.577 -5.194 -24.666 1.00 73.04 O ATOM 0 H TYR A 49 -12.370 -2.218 -25.501 1.00 61.41 H new ATOM 0 HA TYR A 49 -12.989 -1.589 -28.242 1.00 21.22 H new ATOM 0 HB2 TYR A 49 -11.681 -3.747 -28.958 1.00 52.33 H new ATOM 0 HB3 TYR A 49 -10.847 -2.208 -28.880 1.00 52.33 H new ATOM 0 HD1 TYR A 49 -11.440 -5.366 -26.994 1.00 3.40 H new ATOM 0 HD2 TYR A 49 -8.997 -1.898 -27.401 1.00 71.23 H new ATOM 0 HE1 TYR A 49 -9.811 -6.331 -25.430 1.00 3.12 H new ATOM 0 HE2 TYR A 49 -7.365 -2.862 -25.840 1.00 60.33 H new ATOM 0 HH TYR A 49 -6.829 -4.571 -24.548 1.00 73.04 H new ATOM 736 N GLU A 50 -14.703 -3.361 -28.074 1.00 44.04 N ATOM 737 CA GLU A 50 -15.785 -4.326 -27.921 1.00 22.25 C ATOM 738 C GLU A 50 -15.621 -5.487 -28.897 1.00 71.31 C ATOM 739 O GLU A 50 -16.426 -5.660 -29.813 1.00 65.40 O ATOM 740 CB GLU A 50 -17.138 -3.647 -28.140 1.00 74.54 C ATOM 741 CG GLU A 50 -17.663 -2.924 -26.912 1.00 1.52 C ATOM 742 CD GLU A 50 -18.062 -1.490 -27.205 1.00 63.21 C ATOM 743 OE1 GLU A 50 -17.160 -0.630 -27.291 1.00 72.14 O ATOM 744 OE2 GLU A 50 -19.274 -1.229 -27.348 1.00 52.51 O ATOM 0 H GLU A 50 -14.863 -2.659 -28.797 1.00 44.04 H new ATOM 0 HA GLU A 50 -15.745 -4.720 -26.906 1.00 22.25 H new ATOM 0 HB2 GLU A 50 -17.049 -2.934 -28.960 1.00 74.54 H new ATOM 0 HB3 GLU A 50 -17.866 -4.398 -28.448 1.00 74.54 H new ATOM 0 HG2 GLU A 50 -18.524 -3.463 -26.518 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -16.898 -2.933 -26.135 1.00 1.52 H new ATOM 751 N TYR A 51 -14.574 -6.279 -28.695 1.00 30.20 N ATOM 752 CA TYR A 51 -14.302 -7.422 -29.559 1.00 31.14 C ATOM 753 C TYR A 51 -12.993 -8.101 -29.168 1.00 45.52 C ATOM 754 O TYR A 51 -12.406 -7.791 -28.131 1.00 22.43 O ATOM 755 CB TYR A 51 -14.244 -6.980 -31.022 1.00 0.03 C ATOM 756 CG TYR A 51 -15.291 -7.635 -31.894 1.00 52.51 C ATOM 757 CD1 TYR A 51 -15.514 -9.005 -31.837 1.00 51.30 C ATOM 758 CD2 TYR A 51 -16.059 -6.882 -32.775 1.00 24.20 C ATOM 759 CE1 TYR A 51 -16.469 -9.607 -32.633 1.00 12.21 C ATOM 760 CE2 TYR A 51 -17.017 -7.476 -33.574 1.00 11.44 C ATOM 761 CZ TYR A 51 -17.218 -8.838 -33.499 1.00 73.12 C ATOM 762 OH TYR A 51 -18.172 -9.434 -34.293 1.00 3.04 O ATOM 0 H TYR A 51 -13.900 -6.151 -27.941 1.00 30.20 H new ATOM 0 HA TYR A 51 -15.113 -8.140 -29.436 1.00 31.14 H new ATOM 0 HB2 TYR A 51 -14.367 -5.898 -31.071 1.00 0.03 H new ATOM 0 HB3 TYR A 51 -13.256 -7.207 -31.422 1.00 0.03 H new ATOM 0 HD1 TYR A 51 -14.931 -9.610 -31.159 1.00 51.30 H new ATOM 0 HD2 TYR A 51 -15.904 -5.815 -32.836 1.00 24.20 H new ATOM 0 HE1 TYR A 51 -16.628 -10.674 -32.578 1.00 12.21 H new ATOM 0 HE2 TYR A 51 -17.605 -6.877 -34.253 1.00 11.44 H new ATOM 0 HH TYR A 51 -18.611 -8.753 -34.844 1.00 3.04 H new ATOM 772 N ILE A 52 -12.540 -9.026 -30.007 1.00 74.14 N ATOM 773 CA ILE A 52 -11.300 -9.747 -29.752 1.00 62.51 C ATOM 774 C ILE A 52 -10.115 -8.791 -29.671 1.00 23.35 C ATOM 775 O ILE A 52 -10.125 -7.721 -30.277 1.00 61.11 O ATOM 776 CB ILE A 52 -11.024 -10.797 -30.845 1.00 22.22 C ATOM 777 CG1 ILE A 52 -9.933 -11.767 -30.387 1.00 31.54 C ATOM 778 CG2 ILE A 52 -10.622 -10.116 -32.144 1.00 53.24 C ATOM 779 CD1 ILE A 52 -10.301 -12.548 -29.144 1.00 55.41 C ATOM 0 H ILE A 52 -13.014 -9.294 -30.870 1.00 74.14 H new ATOM 0 HA ILE A 52 -11.421 -10.254 -28.795 1.00 62.51 H new ATOM 0 HB ILE A 52 -11.938 -11.364 -31.022 1.00 22.22 H new ATOM 0 HG12 ILE A 52 -9.717 -12.466 -31.195 1.00 31.54 H new ATOM 0 HG13 ILE A 52 -9.017 -11.207 -30.197 1.00 31.54 H new ATOM 0 HG21 ILE A 52 -10.430 -10.871 -32.906 1.00 53.24 H new ATOM 0 HG22 ILE A 52 -11.428 -9.461 -32.476 1.00 53.24 H new ATOM 0 HG23 ILE A 52 -9.719 -9.527 -31.982 1.00 53.24 H new ATOM 0 HD11 ILE A 52 -9.481 -13.215 -28.878 1.00 55.41 H new ATOM 0 HD12 ILE A 52 -10.488 -11.857 -28.322 1.00 55.41 H new ATOM 0 HD13 ILE A 52 -11.199 -13.135 -29.336 1.00 55.41 H new ATOM 791 N ASN A 53 -9.093 -9.186 -28.917 1.00 73.44 N ATOM 792 CA ASN A 53 -7.899 -8.365 -28.757 1.00 50.13 C ATOM 793 C ASN A 53 -7.257 -8.070 -30.109 1.00 44.33 C ATOM 794 O ASN A 53 -6.529 -7.088 -30.262 1.00 21.15 O ATOM 795 CB ASN A 53 -6.892 -9.065 -27.843 1.00 65.44 C ATOM 796 CG ASN A 53 -7.494 -9.450 -26.506 1.00 72.10 C ATOM 797 OD1 ASN A 53 -7.445 -10.612 -26.101 1.00 43.25 O ATOM 798 ND2 ASN A 53 -8.068 -8.473 -25.813 1.00 24.32 N ATOM 0 H ASN A 53 -9.069 -10.069 -28.408 1.00 73.44 H new ATOM 0 HA ASN A 53 -8.196 -7.420 -28.302 1.00 50.13 H new ATOM 0 HB2 ASN A 53 -6.515 -9.959 -28.340 1.00 65.44 H new ATOM 0 HB3 ASN A 53 -6.038 -8.408 -27.678 1.00 65.44 H new ATOM 0 HD21 ASN A 53 -8.491 -8.671 -24.906 1.00 24.32 H new ATOM 0 HD22 ASN A 53 -8.085 -7.524 -26.187 1.00 24.32 H new ATOM 805 N TYR A 54 -7.531 -8.925 -31.088 1.00 31.03 N ATOM 806 CA TYR A 54 -6.979 -8.757 -32.427 1.00 21.43 C ATOM 807 C TYR A 54 -8.083 -8.787 -33.479 1.00 71.31 C ATOM 808 O TYR A 54 -8.075 -9.625 -34.380 1.00 50.54 O ATOM 809 CB TYR A 54 -5.952 -9.853 -32.718 1.00 45.42 C ATOM 810 CG TYR A 54 -6.433 -11.243 -32.370 1.00 53.12 C ATOM 811 CD1 TYR A 54 -6.359 -11.719 -31.067 1.00 23.11 C ATOM 812 CD2 TYR A 54 -6.962 -12.081 -33.344 1.00 51.43 C ATOM 813 CE1 TYR A 54 -6.797 -12.989 -30.744 1.00 41.12 C ATOM 814 CE2 TYR A 54 -7.404 -13.351 -33.030 1.00 71.15 C ATOM 815 CZ TYR A 54 -7.319 -13.801 -31.729 1.00 53.23 C ATOM 816 OH TYR A 54 -7.757 -15.066 -31.413 1.00 32.41 O ATOM 0 H TYR A 54 -8.132 -9.742 -30.979 1.00 31.03 H new ATOM 0 HA TYR A 54 -6.487 -7.785 -32.471 1.00 21.43 H new ATOM 0 HB2 TYR A 54 -5.691 -9.823 -33.776 1.00 45.42 H new ATOM 0 HB3 TYR A 54 -5.041 -9.643 -32.158 1.00 45.42 H new ATOM 0 HD1 TYR A 54 -5.952 -11.085 -30.293 1.00 23.11 H new ATOM 0 HD2 TYR A 54 -7.029 -11.733 -34.364 1.00 51.43 H new ATOM 0 HE1 TYR A 54 -6.731 -13.344 -29.726 1.00 41.12 H new ATOM 0 HE2 TYR A 54 -7.814 -13.989 -33.799 1.00 71.15 H new ATOM 0 HH TYR A 54 -8.096 -15.506 -32.220 1.00 32.41 H new ATOM 826 N GLY A 55 -9.033 -7.865 -33.357 1.00 32.10 N ATOM 827 CA GLY A 55 -10.131 -7.802 -34.304 1.00 14.44 C ATOM 828 C GLY A 55 -11.358 -7.126 -33.724 1.00 12.12 C ATOM 829 O GLY A 55 -12.407 -7.751 -33.573 1.00 71.05 O ATOM 0 H GLY A 55 -9.062 -7.161 -32.620 1.00 32.10 H new ATOM 0 HA2 GLY A 55 -9.809 -7.262 -35.194 1.00 14.44 H new ATOM 0 HA3 GLY A 55 -10.392 -8.812 -34.621 1.00 14.44 H new ATOM 833 N GLY A 56 -11.227 -5.844 -33.395 1.00 64.24 N ATOM 834 CA GLY A 56 -12.341 -5.105 -32.831 1.00 5.03 C ATOM 835 C GLY A 56 -12.163 -3.605 -32.955 1.00 13.31 C ATOM 836 O GLY A 56 -11.182 -3.134 -33.531 1.00 73.52 O ATOM 0 H GLY A 56 -10.369 -5.304 -33.509 1.00 64.24 H new ATOM 0 HA2 GLY A 56 -13.262 -5.401 -33.334 1.00 5.03 H new ATOM 0 HA3 GLY A 56 -12.453 -5.369 -31.779 1.00 5.03 H new ATOM 840 N ARG A 57 -13.115 -2.851 -32.415 1.00 34.24 N ATOM 841 CA ARG A 57 -13.061 -1.395 -32.470 1.00 73.44 C ATOM 842 C ARG A 57 -12.101 -0.846 -31.420 1.00 24.43 C ATOM 843 O ARG A 57 -12.419 -0.810 -30.231 1.00 31.51 O ATOM 844 CB ARG A 57 -14.456 -0.804 -32.260 1.00 52.52 C ATOM 845 CG ARG A 57 -14.451 0.696 -32.014 1.00 43.44 C ATOM 846 CD ARG A 57 -14.898 1.031 -30.600 1.00 20.31 C ATOM 847 NE ARG A 57 -16.246 0.542 -30.322 1.00 40.13 N ATOM 848 CZ ARG A 57 -17.346 1.100 -30.815 1.00 50.23 C ATOM 849 NH1 ARG A 57 -17.258 2.160 -31.607 1.00 60.12 N ATOM 850 NH2 ARG A 57 -18.537 0.598 -30.517 1.00 33.22 N ATOM 0 H ARG A 57 -13.933 -3.225 -31.934 1.00 34.24 H new ATOM 0 HA ARG A 57 -12.696 -1.107 -33.456 1.00 73.44 H new ATOM 0 HB2 ARG A 57 -15.068 -1.018 -33.136 1.00 52.52 H new ATOM 0 HB3 ARG A 57 -14.928 -1.301 -31.413 1.00 52.52 H new ATOM 0 HG2 ARG A 57 -13.449 1.090 -32.183 1.00 43.44 H new ATOM 0 HG3 ARG A 57 -15.111 1.185 -32.731 1.00 43.44 H new ATOM 0 HD2 ARG A 57 -14.200 0.595 -29.886 1.00 20.31 H new ATOM 0 HD3 ARG A 57 -14.867 2.111 -30.456 1.00 20.31 H new ATOM 0 HE ARG A 57 -16.348 -0.272 -29.716 1.00 40.13 H new ATOM 0 HH11 ARG A 57 -16.344 2.549 -31.839 1.00 60.12 H new ATOM 0 HH12 ARG A 57 -18.104 2.586 -31.984 1.00 60.12 H new ATOM 0 HH21 ARG A 57 -18.609 -0.217 -29.909 1.00 33.22 H new ATOM 0 HH22 ARG A 57 -19.381 1.027 -30.896 1.00 33.22 H new ATOM 864 N TYR A 58 -10.924 -0.421 -31.866 1.00 53.54 N ATOM 865 CA TYR A 58 -9.916 0.124 -30.965 1.00 21.22 C ATOM 866 C TYR A 58 -10.244 1.565 -30.587 1.00 32.15 C ATOM 867 O TYR A 58 -10.451 2.414 -31.453 1.00 73.15 O ATOM 868 CB TYR A 58 -8.532 0.058 -31.614 1.00 34.32 C ATOM 869 CG TYR A 58 -7.490 0.892 -30.904 1.00 31.32 C ATOM 870 CD1 TYR A 58 -7.403 0.897 -29.517 1.00 44.42 C ATOM 871 CD2 TYR A 58 -6.592 1.673 -31.620 1.00 2.40 C ATOM 872 CE1 TYR A 58 -6.452 1.659 -28.865 1.00 34.54 C ATOM 873 CE2 TYR A 58 -5.637 2.437 -30.976 1.00 33.52 C ATOM 874 CZ TYR A 58 -5.572 2.426 -29.598 1.00 41.21 C ATOM 875 OH TYR A 58 -4.623 3.185 -28.952 1.00 21.43 O ATOM 0 H TYR A 58 -10.645 -0.444 -32.847 1.00 53.54 H new ATOM 0 HA TYR A 58 -9.914 -0.479 -30.057 1.00 21.22 H new ATOM 0 HB2 TYR A 58 -8.200 -0.980 -31.638 1.00 34.32 H new ATOM 0 HB3 TYR A 58 -8.609 0.392 -32.649 1.00 34.32 H new ATOM 0 HD1 TYR A 58 -8.090 0.296 -28.939 1.00 44.42 H new ATOM 0 HD2 TYR A 58 -6.641 1.684 -32.699 1.00 2.40 H new ATOM 0 HE1 TYR A 58 -6.399 1.654 -27.786 1.00 34.54 H new ATOM 0 HE2 TYR A 58 -4.946 3.039 -31.548 1.00 33.52 H new ATOM 0 HH TYR A 58 -4.082 3.665 -29.613 1.00 21.43 H new ATOM 885 N TRP A 59 -10.289 1.832 -29.287 1.00 12.45 N ATOM 886 CA TRP A 59 -10.592 3.171 -28.792 1.00 24.22 C ATOM 887 C TRP A 59 -9.984 3.391 -27.411 1.00 31.21 C ATOM 888 O TRP A 59 -10.523 2.929 -26.405 1.00 12.52 O ATOM 889 CB TRP A 59 -12.105 3.387 -28.737 1.00 62.23 C ATOM 890 CG TRP A 59 -12.520 4.438 -27.753 1.00 44.31 C ATOM 891 CD1 TRP A 59 -12.151 5.753 -27.754 1.00 42.35 C ATOM 892 CD2 TRP A 59 -13.380 4.262 -26.623 1.00 15.13 C ATOM 893 NE1 TRP A 59 -12.731 6.405 -26.693 1.00 4.21 N ATOM 894 CE2 TRP A 59 -13.490 5.513 -25.984 1.00 34.21 C ATOM 895 CE3 TRP A 59 -14.071 3.171 -26.089 1.00 63.52 C ATOM 896 CZ2 TRP A 59 -14.261 5.699 -24.840 1.00 34.45 C ATOM 897 CZ3 TRP A 59 -14.835 3.356 -24.953 1.00 52.42 C ATOM 898 CH2 TRP A 59 -14.926 4.612 -24.339 1.00 14.53 C ATOM 0 H TRP A 59 -10.120 1.140 -28.557 1.00 12.45 H new ATOM 0 HA TRP A 59 -10.154 3.894 -29.481 1.00 24.22 H new ATOM 0 HB2 TRP A 59 -12.461 3.667 -29.728 1.00 62.23 H new ATOM 0 HB3 TRP A 59 -12.590 2.446 -28.478 1.00 62.23 H new ATOM 0 HD1 TRP A 59 -11.499 6.213 -28.482 1.00 42.35 H new ATOM 0 HE1 TRP A 59 -12.615 7.393 -26.470 1.00 4.21 H new ATOM 0 HE3 TRP A 59 -14.009 2.199 -26.557 1.00 63.52 H new ATOM 0 HZ2 TRP A 59 -14.332 6.666 -24.365 1.00 34.45 H new ATOM 0 HZ3 TRP A 59 -15.371 2.519 -24.531 1.00 52.42 H new ATOM 0 HH2 TRP A 59 -15.533 4.725 -23.453 1.00 14.53 H new ATOM 909 N ASP A 60 -8.860 4.098 -27.370 1.00 32.25 N ATOM 910 CA ASP A 60 -8.180 4.380 -26.111 1.00 32.03 C ATOM 911 C ASP A 60 -8.501 5.790 -25.624 1.00 20.31 C ATOM 912 O ASP A 60 -8.766 6.689 -26.423 1.00 62.21 O ATOM 913 CB ASP A 60 -6.669 4.215 -26.275 1.00 5.41 C ATOM 914 CG ASP A 60 -6.105 5.103 -27.367 1.00 3.54 C ATOM 915 OD1 ASP A 60 -6.523 4.949 -28.533 1.00 72.32 O ATOM 916 OD2 ASP A 60 -5.246 5.954 -27.054 1.00 65.13 O ATOM 0 H ASP A 60 -8.401 4.486 -28.194 1.00 32.25 H new ATOM 0 HA ASP A 60 -8.536 3.668 -25.366 1.00 32.03 H new ATOM 0 HB2 ASP A 60 -6.176 4.448 -25.331 1.00 5.41 H new ATOM 0 HB3 ASP A 60 -6.443 3.174 -26.504 1.00 5.41 H new ATOM 921 N LEU A 61 -8.477 5.976 -24.309 1.00 24.42 N ATOM 922 CA LEU A 61 -8.766 7.276 -23.715 1.00 2.25 C ATOM 923 C LEU A 61 -8.002 7.459 -22.407 1.00 41.41 C ATOM 924 O LEU A 61 -7.564 6.489 -21.791 1.00 32.23 O ATOM 925 CB LEU A 61 -10.268 7.422 -23.466 1.00 10.44 C ATOM 926 CG LEU A 61 -10.818 6.701 -22.234 1.00 44.33 C ATOM 927 CD1 LEU A 61 -11.410 7.699 -21.251 1.00 50.14 C ATOM 928 CD2 LEU A 61 -11.859 5.669 -22.641 1.00 63.34 C ATOM 0 H LEU A 61 -8.260 5.243 -23.634 1.00 24.42 H new ATOM 0 HA LEU A 61 -8.443 8.047 -24.414 1.00 2.25 H new ATOM 0 HB2 LEU A 61 -10.499 8.483 -23.374 1.00 10.44 H new ATOM 0 HB3 LEU A 61 -10.799 7.055 -24.344 1.00 10.44 H new ATOM 0 HG LEU A 61 -9.995 6.183 -21.742 1.00 44.33 H new ATOM 0 HD11 LEU A 61 -11.796 7.168 -20.381 1.00 50.14 H new ATOM 0 HD12 LEU A 61 -10.638 8.400 -20.935 1.00 50.14 H new ATOM 0 HD13 LEU A 61 -12.221 8.246 -21.732 1.00 50.14 H new ATOM 0 HD21 LEU A 61 -12.239 5.166 -21.752 1.00 63.34 H new ATOM 0 HD22 LEU A 61 -12.681 6.165 -23.157 1.00 63.34 H new ATOM 0 HD23 LEU A 61 -11.403 4.935 -23.306 1.00 63.34 H new ATOM 940 N GLY A 62 -7.847 8.712 -21.988 1.00 72.13 N ATOM 941 CA GLY A 62 -7.138 9.000 -20.755 1.00 60.43 C ATOM 942 C GLY A 62 -8.020 8.853 -19.531 1.00 40.03 C ATOM 943 O GLY A 62 -9.109 8.281 -19.589 1.00 42.12 O ATOM 0 H GLY A 62 -8.200 9.532 -22.481 1.00 72.13 H new ATOM 0 HA2 GLY A 62 -6.283 8.329 -20.666 1.00 60.43 H new ATOM 0 HA3 GLY A 62 -6.744 10.015 -20.795 1.00 60.43 H new ATOM 947 N PRO A 63 -7.548 9.377 -18.391 1.00 3.14 N ATOM 948 CA PRO A 63 -8.285 9.313 -17.125 1.00 50.32 C ATOM 949 C PRO A 63 -9.454 10.292 -17.085 1.00 44.02 C ATOM 950 O PRO A 63 -9.260 11.500 -16.951 1.00 34.50 O ATOM 951 CB PRO A 63 -7.232 9.695 -16.082 1.00 32.45 C ATOM 952 CG PRO A 63 -6.240 10.519 -16.828 1.00 35.24 C ATOM 953 CD PRO A 63 -6.258 10.073 -18.248 1.00 63.13 C ATOM 0 HA PRO A 63 -8.730 8.332 -16.962 1.00 50.32 H new ATOM 0 HB2 PRO A 63 -7.675 10.257 -15.260 1.00 32.45 H new ATOM 0 HB3 PRO A 63 -6.765 8.810 -15.648 1.00 32.45 H new ATOM 0 HG2 PRO A 63 -6.491 11.577 -16.756 1.00 35.24 H new ATOM 0 HG3 PRO A 63 -5.244 10.398 -16.402 1.00 35.24 H new ATOM 0 HD2 PRO A 63 -6.183 10.918 -18.932 1.00 63.13 H new ATOM 0 HD3 PRO A 63 -5.421 9.410 -18.468 1.00 63.13 H new ATOM 961 N GLY A 64 -10.668 9.762 -17.202 1.00 43.42 N ATOM 962 CA GLY A 64 -11.850 10.604 -17.177 1.00 23.04 C ATOM 963 C GLY A 64 -13.126 9.806 -17.001 1.00 32.44 C ATOM 964 O GLY A 64 -13.149 8.600 -17.243 1.00 72.53 O ATOM 0 H GLY A 64 -10.854 8.765 -17.314 1.00 43.42 H new ATOM 0 HA2 GLY A 64 -11.761 11.325 -16.365 1.00 23.04 H new ATOM 0 HA3 GLY A 64 -11.906 11.174 -18.105 1.00 23.04 H new ATOM 968 N GLU A 65 -14.190 10.480 -16.576 1.00 33.32 N ATOM 969 CA GLU A 65 -15.475 9.824 -16.365 1.00 74.43 C ATOM 970 C GLU A 65 -16.484 10.249 -17.428 1.00 71.25 C ATOM 971 O GLU A 65 -16.554 11.421 -17.800 1.00 31.41 O ATOM 972 CB GLU A 65 -16.018 10.150 -14.972 1.00 42.33 C ATOM 973 CG GLU A 65 -17.394 9.565 -14.702 1.00 63.02 C ATOM 974 CD GLU A 65 -18.475 10.626 -14.629 1.00 22.31 C ATOM 975 OE1 GLU A 65 -18.462 11.545 -15.475 1.00 23.43 O ATOM 976 OE2 GLU A 65 -19.333 10.538 -13.726 1.00 71.53 O ATOM 0 H GLU A 65 -14.188 11.479 -16.371 1.00 33.32 H new ATOM 0 HA GLU A 65 -15.321 8.748 -16.444 1.00 74.43 H new ATOM 0 HB2 GLU A 65 -15.320 9.776 -14.223 1.00 42.33 H new ATOM 0 HB3 GLU A 65 -16.063 11.233 -14.853 1.00 42.33 H new ATOM 0 HG2 GLU A 65 -17.642 8.852 -15.488 1.00 63.02 H new ATOM 0 HG3 GLU A 65 -17.371 9.010 -13.764 1.00 63.02 H new ATOM 983 N TYR A 66 -17.263 9.289 -17.914 1.00 64.53 N ATOM 984 CA TYR A 66 -18.266 9.562 -18.937 1.00 25.32 C ATOM 985 C TYR A 66 -19.330 8.469 -18.962 1.00 64.30 C ATOM 986 O TYR A 66 -19.112 7.363 -18.466 1.00 11.41 O ATOM 987 CB TYR A 66 -17.604 9.677 -20.311 1.00 54.14 C ATOM 988 CG TYR A 66 -17.661 8.400 -21.119 1.00 44.44 C ATOM 989 CD1 TYR A 66 -16.663 7.440 -21.008 1.00 31.21 C ATOM 990 CD2 TYR A 66 -18.712 8.154 -21.994 1.00 11.51 C ATOM 991 CE1 TYR A 66 -16.710 6.272 -21.745 1.00 12.31 C ATOM 992 CE2 TYR A 66 -18.768 6.989 -22.734 1.00 11.12 C ATOM 993 CZ TYR A 66 -17.765 6.051 -22.606 1.00 44.52 C ATOM 994 OH TYR A 66 -17.816 4.889 -23.341 1.00 41.20 O ATOM 0 H TYR A 66 -17.219 8.314 -17.616 1.00 64.53 H new ATOM 0 HA TYR A 66 -18.749 10.508 -18.693 1.00 25.32 H new ATOM 0 HB2 TYR A 66 -18.089 10.475 -20.873 1.00 54.14 H new ATOM 0 HB3 TYR A 66 -16.562 9.968 -20.180 1.00 54.14 H new ATOM 0 HD1 TYR A 66 -15.836 7.609 -20.334 1.00 31.21 H new ATOM 0 HD2 TYR A 66 -19.499 8.887 -22.097 1.00 11.51 H new ATOM 0 HE1 TYR A 66 -15.925 5.536 -21.648 1.00 12.31 H new ATOM 0 HE2 TYR A 66 -19.593 6.814 -23.409 1.00 11.12 H new ATOM 0 HH TYR A 66 -18.623 4.889 -23.897 1.00 41.20 H new ATOM 1004 N SER A 67 -20.481 8.787 -19.545 1.00 33.45 N ATOM 1005 CA SER A 67 -21.582 7.834 -19.633 1.00 22.03 C ATOM 1006 C SER A 67 -22.460 8.130 -20.844 1.00 74.45 C ATOM 1007 O SER A 67 -23.438 8.871 -20.750 1.00 13.21 O ATOM 1008 CB SER A 67 -22.424 7.875 -18.356 1.00 3.41 C ATOM 1009 OG SER A 67 -23.754 7.457 -18.608 1.00 40.54 O ATOM 0 H SER A 67 -20.676 9.697 -19.963 1.00 33.45 H new ATOM 0 HA SER A 67 -21.158 6.836 -19.748 1.00 22.03 H new ATOM 0 HB2 SER A 67 -21.975 7.232 -17.600 1.00 3.41 H new ATOM 0 HB3 SER A 67 -22.428 8.887 -17.952 1.00 3.41 H new ATOM 0 HG SER A 67 -24.180 8.080 -19.234 1.00 40.54 H new ATOM 1015 N SER A 68 -22.104 7.544 -21.983 1.00 61.40 N ATOM 1016 CA SER A 68 -22.857 7.746 -23.215 1.00 44.34 C ATOM 1017 C SER A 68 -24.034 6.780 -23.298 1.00 70.31 C ATOM 1018 O SER A 68 -24.216 5.928 -22.428 1.00 5.23 O ATOM 1019 CB SER A 68 -21.945 7.563 -24.431 1.00 33.15 C ATOM 1020 OG SER A 68 -20.923 8.544 -24.454 1.00 60.00 O ATOM 0 H SER A 68 -21.299 6.925 -22.078 1.00 61.40 H new ATOM 0 HA SER A 68 -23.246 8.764 -23.211 1.00 44.34 H new ATOM 0 HB2 SER A 68 -21.499 6.569 -24.408 1.00 33.15 H new ATOM 0 HB3 SER A 68 -22.535 7.627 -25.345 1.00 33.15 H new ATOM 0 HG SER A 68 -20.227 8.306 -23.807 1.00 60.00 H new ATOM 1026 N VAL A 69 -24.832 6.918 -24.352 1.00 14.21 N ATOM 1027 CA VAL A 69 -25.992 6.057 -24.550 1.00 54.55 C ATOM 1028 C VAL A 69 -26.414 6.033 -26.015 1.00 55.52 C ATOM 1029 O VAL A 69 -27.565 5.737 -26.334 1.00 54.54 O ATOM 1030 CB VAL A 69 -27.186 6.516 -23.691 1.00 45.43 C ATOM 1031 CG1 VAL A 69 -27.807 7.778 -24.271 1.00 1.24 C ATOM 1032 CG2 VAL A 69 -28.219 5.406 -23.579 1.00 53.13 C ATOM 0 H VAL A 69 -24.696 7.618 -25.082 1.00 14.21 H new ATOM 0 HA VAL A 69 -25.698 5.054 -24.242 1.00 54.55 H new ATOM 0 HB VAL A 69 -26.824 6.746 -22.689 1.00 45.43 H new ATOM 0 HG11 VAL A 69 -28.649 8.087 -23.651 1.00 1.24 H new ATOM 0 HG12 VAL A 69 -27.062 8.573 -24.294 1.00 1.24 H new ATOM 0 HG13 VAL A 69 -28.156 7.579 -25.284 1.00 1.24 H new ATOM 0 HG21 VAL A 69 -29.055 5.747 -22.969 1.00 53.13 H new ATOM 0 HG22 VAL A 69 -28.579 5.142 -24.573 1.00 53.13 H new ATOM 0 HG23 VAL A 69 -27.764 4.531 -23.114 1.00 53.13 H new ATOM 1042 N GLU A 70 -25.474 6.347 -26.902 1.00 35.44 N ATOM 1043 CA GLU A 70 -25.750 6.361 -28.333 1.00 70.04 C ATOM 1044 C GLU A 70 -24.535 6.850 -29.116 1.00 61.04 C ATOM 1045 O GLU A 70 -24.346 6.490 -30.278 1.00 51.34 O ATOM 1046 CB GLU A 70 -26.957 7.252 -28.634 1.00 43.41 C ATOM 1047 CG GLU A 70 -26.956 8.560 -27.860 1.00 24.10 C ATOM 1048 CD GLU A 70 -27.308 9.752 -28.728 1.00 44.21 C ATOM 1049 OE1 GLU A 70 -28.514 9.983 -28.958 1.00 25.42 O ATOM 1050 OE2 GLU A 70 -26.378 10.454 -29.178 1.00 13.41 O ATOM 0 H GLU A 70 -24.516 6.595 -26.654 1.00 35.44 H new ATOM 0 HA GLU A 70 -25.975 5.341 -28.644 1.00 70.04 H new ATOM 0 HB2 GLU A 70 -26.979 7.471 -29.701 1.00 43.41 H new ATOM 0 HB3 GLU A 70 -27.870 6.703 -28.402 1.00 43.41 H new ATOM 0 HG2 GLU A 70 -27.668 8.492 -27.037 1.00 24.10 H new ATOM 0 HG3 GLU A 70 -25.972 8.715 -27.418 1.00 24.10 H new ATOM 1057 N SER A 71 -23.714 7.673 -28.471 1.00 73.40 N ATOM 1058 CA SER A 71 -22.520 8.215 -29.107 1.00 44.13 C ATOM 1059 C SER A 71 -21.317 7.307 -28.868 1.00 40.23 C ATOM 1060 O SER A 71 -20.169 7.733 -28.994 1.00 13.12 O ATOM 1061 CB SER A 71 -22.226 9.620 -28.576 1.00 72.41 C ATOM 1062 OG SER A 71 -21.136 10.208 -29.265 1.00 33.24 O ATOM 0 H SER A 71 -23.854 7.979 -27.508 1.00 73.40 H new ATOM 0 HA SER A 71 -22.704 8.271 -30.180 1.00 44.13 H new ATOM 0 HB2 SER A 71 -23.111 10.247 -28.687 1.00 72.41 H new ATOM 0 HB3 SER A 71 -22.002 9.570 -27.510 1.00 72.41 H new ATOM 0 HG SER A 71 -20.434 9.538 -29.399 1.00 33.24 H new ATOM 1068 N ALA A 72 -21.590 6.053 -28.523 1.00 43.20 N ATOM 1069 CA ALA A 72 -20.532 5.084 -28.268 1.00 65.31 C ATOM 1070 C ALA A 72 -20.843 3.745 -28.929 1.00 22.04 C ATOM 1071 O ALA A 72 -20.311 2.708 -28.533 1.00 54.23 O ATOM 1072 CB ALA A 72 -20.332 4.902 -26.771 1.00 22.12 C ATOM 0 H ALA A 72 -22.535 5.685 -28.414 1.00 43.20 H new ATOM 0 HA ALA A 72 -19.609 5.468 -28.702 1.00 65.31 H new ATOM 0 HB1 ALA A 72 -19.539 4.175 -26.596 1.00 22.12 H new ATOM 0 HB2 ALA A 72 -20.056 5.856 -26.322 1.00 22.12 H new ATOM 0 HB3 ALA A 72 -21.258 4.544 -26.321 1.00 22.12 H new ATOM 1078 N GLY A 73 -21.709 3.775 -29.937 1.00 64.24 N ATOM 1079 CA GLY A 73 -22.076 2.557 -30.636 1.00 11.02 C ATOM 1080 C GLY A 73 -22.851 1.595 -29.756 1.00 45.54 C ATOM 1081 O GLY A 73 -22.551 1.450 -28.571 1.00 30.11 O ATOM 0 H GLY A 73 -22.163 4.621 -30.282 1.00 64.24 H new ATOM 0 HA2 GLY A 73 -22.677 2.810 -31.510 1.00 11.02 H new ATOM 0 HA3 GLY A 73 -21.174 2.065 -31.001 1.00 11.02 H new ATOM 1085 N ILE A 74 -23.849 0.939 -30.337 1.00 14.04 N ATOM 1086 CA ILE A 74 -24.669 -0.013 -29.597 1.00 51.31 C ATOM 1087 C ILE A 74 -24.997 -1.234 -30.449 1.00 71.20 C ATOM 1088 O ILE A 74 -26.154 -1.506 -30.769 1.00 74.01 O ATOM 1089 CB ILE A 74 -25.983 0.631 -29.115 1.00 64.21 C ATOM 1090 CG1 ILE A 74 -25.698 1.962 -28.417 1.00 3.12 C ATOM 1091 CG2 ILE A 74 -26.725 -0.315 -28.182 1.00 44.43 C ATOM 1092 CD1 ILE A 74 -26.945 2.680 -27.952 1.00 54.14 C ATOM 0 H ILE A 74 -24.110 1.049 -31.317 1.00 14.04 H new ATOM 0 HA ILE A 74 -24.087 -0.324 -28.730 1.00 51.31 H new ATOM 0 HB ILE A 74 -26.615 0.825 -29.982 1.00 64.21 H new ATOM 0 HG12 ILE A 74 -25.051 1.781 -27.558 1.00 3.12 H new ATOM 0 HG13 ILE A 74 -25.148 2.610 -29.099 1.00 3.12 H new ATOM 0 HG21 ILE A 74 -27.651 0.154 -27.850 1.00 44.43 H new ATOM 0 HG22 ILE A 74 -26.956 -1.240 -28.710 1.00 44.43 H new ATOM 0 HG23 ILE A 74 -26.100 -0.537 -27.317 1.00 44.43 H new ATOM 0 HD11 ILE A 74 -26.667 3.615 -27.466 1.00 54.14 H new ATOM 0 HD12 ILE A 74 -27.584 2.892 -28.809 1.00 54.14 H new ATOM 0 HD13 ILE A 74 -27.485 2.051 -27.245 1.00 54.14 H new ATOM 1104 N PRO A 75 -23.955 -1.991 -30.825 1.00 11.43 N ATOM 1105 CA PRO A 75 -24.107 -3.198 -31.643 1.00 13.44 C ATOM 1106 C PRO A 75 -24.303 -4.451 -30.796 1.00 11.30 C ATOM 1107 O PRO A 75 -25.338 -5.112 -30.879 1.00 71.24 O ATOM 1108 CB PRO A 75 -22.786 -3.273 -32.412 1.00 73.33 C ATOM 1109 CG PRO A 75 -22.158 -1.936 -32.219 1.00 72.32 C ATOM 1110 CD PRO A 75 -22.548 -1.726 -30.479 1.00 73.34 C ATOM 0 HA PRO A 75 -24.987 -3.148 -32.284 1.00 13.44 H new ATOM 0 HB2 PRO A 75 -22.149 -4.069 -32.027 1.00 73.33 H new ATOM 0 HB3 PRO A 75 -22.954 -3.482 -33.468 1.00 73.33 H new ATOM 0 HG2 PRO A 75 -21.086 -1.937 -32.418 1.00 72.32 H new ATOM 0 HG3 PRO A 75 -22.599 -1.164 -32.850 1.00 72.32 H new ATOM 0 HD2 PRO A 75 -22.088 -2.449 -29.806 1.00 73.34 H new ATOM 0 HD3 PRO A 75 -22.345 -0.736 -30.070 1.00 73.34 H new ATOM 1118 N ASP A 76 -23.304 -4.771 -29.982 1.00 4.24 N ATOM 1119 CA ASP A 76 -23.367 -5.944 -29.118 1.00 61.31 C ATOM 1120 C ASP A 76 -22.124 -6.039 -28.238 1.00 74.12 C ATOM 1121 O ASP A 76 -20.998 -6.024 -28.734 1.00 15.34 O ATOM 1122 CB ASP A 76 -23.511 -7.215 -29.958 1.00 4.43 C ATOM 1123 CG ASP A 76 -22.465 -7.307 -31.052 1.00 13.31 C ATOM 1124 OD1 ASP A 76 -22.575 -6.553 -32.041 1.00 42.04 O ATOM 1125 OD2 ASP A 76 -21.538 -8.133 -30.919 1.00 72.13 O ATOM 0 H ASP A 76 -22.440 -4.234 -29.902 1.00 4.24 H new ATOM 0 HA ASP A 76 -24.240 -5.843 -28.473 1.00 61.31 H new ATOM 0 HB2 ASP A 76 -23.431 -8.087 -29.309 1.00 4.43 H new ATOM 0 HB3 ASP A 76 -24.504 -7.241 -30.406 1.00 4.43 H new ATOM 1130 N ASN A 77 -22.338 -6.136 -26.930 1.00 21.11 N ATOM 1131 CA ASN A 77 -21.235 -6.232 -25.981 1.00 0.45 C ATOM 1132 C ASN A 77 -20.649 -7.640 -25.968 1.00 23.13 C ATOM 1133 O ASN A 77 -20.642 -8.311 -24.936 1.00 25.12 O ATOM 1134 CB ASN A 77 -21.709 -5.852 -24.576 1.00 51.43 C ATOM 1135 CG ASN A 77 -20.600 -5.249 -23.735 1.00 55.32 C ATOM 1136 OD1 ASN A 77 -20.547 -4.035 -23.536 1.00 52.04 O ATOM 1137 ND2 ASN A 77 -19.708 -6.097 -23.237 1.00 13.31 N ATOM 0 H ASN A 77 -23.264 -6.150 -26.503 1.00 21.11 H new ATOM 0 HA ASN A 77 -20.457 -5.537 -26.296 1.00 0.45 H new ATOM 0 HB2 ASN A 77 -22.531 -5.140 -24.653 1.00 51.43 H new ATOM 0 HB3 ASN A 77 -22.100 -6.738 -24.076 1.00 51.43 H new ATOM 0 HD21 ASN A 77 -18.939 -5.750 -22.663 1.00 13.31 H new ATOM 0 HD22 ASN A 77 -19.791 -7.095 -23.428 1.00 13.31 H new ATOM 1144 N SER A 78 -20.157 -8.081 -27.121 1.00 73.22 N ATOM 1145 CA SER A 78 -19.571 -9.411 -27.244 1.00 55.10 C ATOM 1146 C SER A 78 -18.048 -9.339 -27.208 1.00 1.32 C ATOM 1147 O SER A 78 -17.439 -8.509 -27.884 1.00 1.13 O ATOM 1148 CB SER A 78 -20.031 -10.076 -28.543 1.00 12.21 C ATOM 1149 OG SER A 78 -19.730 -11.460 -28.541 1.00 63.54 O ATOM 0 H SER A 78 -20.152 -7.537 -27.984 1.00 73.22 H new ATOM 0 HA SER A 78 -19.909 -10.010 -26.398 1.00 55.10 H new ATOM 0 HB2 SER A 78 -21.105 -9.934 -28.668 1.00 12.21 H new ATOM 0 HB3 SER A 78 -19.545 -9.596 -29.393 1.00 12.21 H new ATOM 0 HG SER A 78 -20.035 -11.862 -29.381 1.00 63.54 H new ATOM 1155 N ILE A 79 -17.439 -10.214 -26.414 1.00 53.34 N ATOM 1156 CA ILE A 79 -15.987 -10.251 -26.290 1.00 54.54 C ATOM 1157 C ILE A 79 -15.426 -8.865 -25.991 1.00 41.33 C ATOM 1158 O ILE A 79 -14.451 -8.433 -26.606 1.00 40.32 O ATOM 1159 CB ILE A 79 -15.327 -10.794 -27.571 1.00 24.53 C ATOM 1160 CG1 ILE A 79 -16.105 -12.001 -28.100 1.00 14.41 C ATOM 1161 CG2 ILE A 79 -13.877 -11.170 -27.300 1.00 74.13 C ATOM 1162 CD1 ILE A 79 -16.169 -13.154 -27.124 1.00 30.33 C ATOM 0 H ILE A 79 -17.929 -10.906 -25.847 1.00 53.34 H new ATOM 0 HA ILE A 79 -15.757 -10.920 -25.461 1.00 54.54 H new ATOM 0 HB ILE A 79 -15.345 -10.013 -28.331 1.00 24.53 H new ATOM 0 HG12 ILE A 79 -17.119 -11.689 -28.348 1.00 14.41 H new ATOM 0 HG13 ILE A 79 -15.642 -12.344 -29.025 1.00 14.41 H new ATOM 0 HG21 ILE A 79 -13.423 -11.552 -28.214 1.00 74.13 H new ATOM 0 HG22 ILE A 79 -13.330 -10.289 -26.964 1.00 74.13 H new ATOM 0 HG23 ILE A 79 -13.839 -11.938 -26.527 1.00 74.13 H new ATOM 0 HD11 ILE A 79 -16.735 -13.974 -27.566 1.00 30.33 H new ATOM 0 HD12 ILE A 79 -15.159 -13.493 -26.895 1.00 30.33 H new ATOM 0 HD13 ILE A 79 -16.659 -12.828 -26.207 1.00 30.33 H new ATOM 1174 N SER A 80 -16.047 -8.173 -25.041 1.00 51.24 N ATOM 1175 CA SER A 80 -15.611 -6.834 -24.661 1.00 63.43 C ATOM 1176 C SER A 80 -14.444 -6.901 -23.680 1.00 72.52 C ATOM 1177 O SER A 80 -14.452 -7.699 -22.743 1.00 32.31 O ATOM 1178 CB SER A 80 -16.771 -6.054 -24.039 1.00 64.35 C ATOM 1179 OG SER A 80 -17.677 -5.609 -25.034 1.00 21.12 O ATOM 0 H SER A 80 -16.854 -8.517 -24.520 1.00 51.24 H new ATOM 0 HA SER A 80 -15.277 -6.318 -25.561 1.00 63.43 H new ATOM 0 HB2 SER A 80 -17.295 -6.686 -23.322 1.00 64.35 H new ATOM 0 HB3 SER A 80 -16.383 -5.198 -23.487 1.00 64.35 H new ATOM 0 HG SER A 80 -18.246 -6.355 -25.315 1.00 21.12 H new ATOM 1185 N SER A 81 -13.442 -6.057 -23.904 1.00 30.43 N ATOM 1186 CA SER A 81 -12.266 -6.022 -23.043 1.00 23.44 C ATOM 1187 C SER A 81 -11.522 -4.698 -23.192 1.00 33.50 C ATOM 1188 O SER A 81 -11.658 -4.008 -24.202 1.00 43.22 O ATOM 1189 CB SER A 81 -11.330 -7.186 -23.375 1.00 23.24 C ATOM 1190 OG SER A 81 -11.260 -8.107 -22.300 1.00 31.21 O ATOM 0 H SER A 81 -13.421 -5.389 -24.674 1.00 30.43 H new ATOM 0 HA SER A 81 -12.600 -6.117 -22.010 1.00 23.44 H new ATOM 0 HB2 SER A 81 -11.682 -7.695 -24.272 1.00 23.24 H new ATOM 0 HB3 SER A 81 -10.333 -6.804 -23.596 1.00 23.24 H new ATOM 0 HG SER A 81 -10.657 -8.842 -22.538 1.00 31.21 H new ATOM 1196 N PHE A 82 -10.736 -4.351 -22.178 1.00 55.13 N ATOM 1197 CA PHE A 82 -9.972 -3.109 -22.195 1.00 25.41 C ATOM 1198 C PHE A 82 -8.819 -3.167 -21.196 1.00 73.22 C ATOM 1199 O PHE A 82 -9.029 -3.379 -20.002 1.00 11.23 O ATOM 1200 CB PHE A 82 -10.880 -1.921 -21.874 1.00 34.22 C ATOM 1201 CG PHE A 82 -11.601 -2.055 -20.563 1.00 1.33 C ATOM 1202 CD1 PHE A 82 -12.749 -2.823 -20.463 1.00 75.44 C ATOM 1203 CD2 PHE A 82 -11.129 -1.412 -19.429 1.00 54.04 C ATOM 1204 CE1 PHE A 82 -13.415 -2.947 -19.258 1.00 63.13 C ATOM 1205 CE2 PHE A 82 -11.790 -1.532 -18.221 1.00 72.44 C ATOM 1206 CZ PHE A 82 -12.934 -2.302 -18.136 1.00 2.13 C ATOM 0 H PHE A 82 -10.612 -4.912 -21.335 1.00 55.13 H new ATOM 0 HA PHE A 82 -9.558 -2.980 -23.195 1.00 25.41 H new ATOM 0 HB2 PHE A 82 -10.282 -1.010 -21.859 1.00 34.22 H new ATOM 0 HB3 PHE A 82 -11.613 -1.808 -22.673 1.00 34.22 H new ATOM 0 HD1 PHE A 82 -13.129 -3.331 -21.337 1.00 75.44 H new ATOM 0 HD2 PHE A 82 -10.234 -0.810 -19.490 1.00 54.04 H new ATOM 0 HE1 PHE A 82 -14.310 -3.548 -19.194 1.00 63.13 H new ATOM 0 HE2 PHE A 82 -11.413 -1.025 -17.345 1.00 72.44 H new ATOM 0 HZ PHE A 82 -13.451 -2.399 -17.193 1.00 2.13 H new ATOM 1216 N ARG A 83 -7.602 -2.978 -21.695 1.00 20.22 N ATOM 1217 CA ARG A 83 -6.416 -3.010 -20.848 1.00 22.53 C ATOM 1218 C ARG A 83 -6.101 -1.621 -20.300 1.00 63.43 C ATOM 1219 O ARG A 83 -6.199 -0.625 -21.017 1.00 24.45 O ATOM 1220 CB ARG A 83 -5.217 -3.545 -21.633 1.00 23.01 C ATOM 1221 CG ARG A 83 -5.416 -4.956 -22.163 1.00 5.41 C ATOM 1222 CD ARG A 83 -4.950 -5.999 -21.159 1.00 14.32 C ATOM 1223 NE ARG A 83 -4.051 -6.978 -21.764 1.00 13.25 N ATOM 1224 CZ ARG A 83 -2.771 -6.738 -22.023 1.00 3.02 C ATOM 1225 NH1 ARG A 83 -2.242 -5.558 -21.731 1.00 43.33 N ATOM 1226 NH2 ARG A 83 -2.016 -7.680 -22.575 1.00 35.05 N ATOM 0 H ARG A 83 -7.411 -2.801 -22.681 1.00 20.22 H new ATOM 0 HA ARG A 83 -6.618 -3.675 -20.008 1.00 22.53 H new ATOM 0 HB2 ARG A 83 -5.014 -2.877 -22.470 1.00 23.01 H new ATOM 0 HB3 ARG A 83 -4.336 -3.528 -20.991 1.00 23.01 H new ATOM 0 HG2 ARG A 83 -6.470 -5.115 -22.392 1.00 5.41 H new ATOM 0 HG3 ARG A 83 -4.866 -5.076 -23.096 1.00 5.41 H new ATOM 0 HD2 ARG A 83 -4.442 -5.504 -20.331 1.00 14.32 H new ATOM 0 HD3 ARG A 83 -5.816 -6.512 -20.741 1.00 14.32 H new ATOM 0 HE ARG A 83 -4.427 -7.896 -22.001 1.00 13.25 H new ATOM 0 HH11 ARG A 83 -2.819 -4.832 -21.306 1.00 43.33 H new ATOM 0 HH12 ARG A 83 -1.258 -5.376 -21.931 1.00 43.33 H new ATOM 0 HH21 ARG A 83 -2.419 -8.589 -22.801 1.00 35.05 H new ATOM 0 HH22 ARG A 83 -1.033 -7.494 -22.773 1.00 35.05 H new ATOM 1240 N GLN A 84 -5.723 -1.564 -19.027 1.00 71.33 N ATOM 1241 CA GLN A 84 -5.395 -0.297 -18.384 1.00 71.44 C ATOM 1242 C GLN A 84 -3.889 -0.161 -18.188 1.00 1.52 C ATOM 1243 O GLN A 84 -3.253 -1.019 -17.575 1.00 41.42 O ATOM 1244 CB GLN A 84 -6.110 -0.185 -17.036 1.00 64.35 C ATOM 1245 CG GLN A 84 -7.623 -0.283 -17.140 1.00 51.52 C ATOM 1246 CD GLN A 84 -8.170 -1.555 -16.523 1.00 42.31 C ATOM 1247 OE1 GLN A 84 -7.979 -1.814 -15.334 1.00 52.45 O ATOM 1248 NE2 GLN A 84 -8.855 -2.357 -17.330 1.00 24.35 N ATOM 0 H GLN A 84 -5.636 -2.380 -18.421 1.00 71.33 H new ATOM 0 HA GLN A 84 -5.733 0.510 -19.034 1.00 71.44 H new ATOM 0 HB2 GLN A 84 -5.748 -0.973 -16.375 1.00 64.35 H new ATOM 0 HB3 GLN A 84 -5.847 0.766 -16.572 1.00 64.35 H new ATOM 0 HG2 GLN A 84 -8.074 0.578 -16.647 1.00 51.52 H new ATOM 0 HG3 GLN A 84 -7.915 -0.238 -18.189 1.00 51.52 H new ATOM 0 HE21 GLN A 84 -8.989 -2.103 -18.309 1.00 24.35 H new ATOM 0 HE22 GLN A 84 -9.247 -3.227 -16.971 1.00 24.35 H new ATOM 1257 N ILE A 85 -3.325 0.923 -18.711 1.00 70.34 N ATOM 1258 CA ILE A 85 -1.894 1.171 -18.592 1.00 43.44 C ATOM 1259 C ILE A 85 -1.596 2.129 -17.444 1.00 2.21 C ATOM 1260 O ILE A 85 -1.762 3.337 -17.608 1.00 60.10 O ATOM 1261 CB ILE A 85 -1.313 1.753 -19.895 1.00 13.31 C ATOM 1262 CG1 ILE A 85 -1.880 1.012 -21.107 1.00 61.24 C ATOM 1263 CG2 ILE A 85 0.206 1.673 -19.880 1.00 71.32 C ATOM 1264 CD1 ILE A 85 -1.640 -0.481 -21.069 1.00 33.33 C ATOM 0 H ILE A 85 -3.837 1.643 -19.221 1.00 70.34 H new ATOM 0 HA ILE A 85 -1.423 0.209 -18.391 1.00 43.44 H new ATOM 0 HB ILE A 85 -1.601 2.802 -19.967 1.00 13.31 H new ATOM 0 HG12 ILE A 85 -2.952 1.198 -21.167 1.00 61.24 H new ATOM 0 HG13 ILE A 85 -1.434 1.421 -22.014 1.00 61.24 H new ATOM 0 HG21 ILE A 85 0.601 2.088 -20.807 1.00 71.32 H new ATOM 0 HG22 ILE A 85 0.592 2.242 -19.034 1.00 71.32 H new ATOM 0 HG23 ILE A 85 0.515 0.632 -19.788 1.00 71.32 H new ATOM 0 HD11 ILE A 85 -2.069 -0.941 -21.959 1.00 33.33 H new ATOM 0 HD12 ILE A 85 -0.568 -0.677 -21.040 1.00 33.33 H new ATOM 0 HD13 ILE A 85 -2.110 -0.903 -20.180 1.00 33.33 H new TER 1276 ILE A 85 HETATM 1277 CA CA A 126 -22.428 -2.611 -21.622 1.00 1.43 CA HETATM 1278 CA CA A 136 -18.861 -5.550 -27.414 1.00 72.14 CA