USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 847 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 ASN : amide:sc= 0.71 K(o=-1.6,f=-10!) USER MOD Set 1.2: A 61 GLN : amide:sc= 0 X(o=-1.6,f=-1.6) USER MOD Set 1.3: A 65 SER OG : rot -169:sc= -2.29! USER MOD Set 2.1: A 3 GLN : amide:sc= -2.99! K(o=-5.6!,f=-0.7) USER MOD Set 2.2: A 7 GLN : amide:sc= -2.62! K(o=-5.6!,f=0.93) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HD1:sc= -0.797 X(o=-0.8,f=-1.1) USER MOD Single : A 14 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.44) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 154:sc= 1.21 (180deg=0.992) USER MOD Single : A 21 SER OG : rot 180:sc= -0.246 USER MOD Single : A 22 THR OG1 : rot -83:sc= -0.202 USER MOD Single : A 23 TYR OH : rot 67:sc= 0.0287 USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= -0.0403 (180deg=-0.217) USER MOD Single : A 29 MET CE :methyl 157:sc= 0 (180deg=-0.452) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 169:sc= -0.0394 (180deg=-0.214) USER MOD Single : A 45 ASN : amide:sc= -1.71! K(o=-1.7!,f=-0.73) USER MOD Single : A 50 SER OG : rot 90:sc= 0.0541 USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00411) USER MOD Single : A 60 SER OG : rot -24:sc= 0.34 USER MOD Single : A 63 LYS NZ :NH3+ -140:sc= -2.3! (180deg=-5.12!) USER MOD Single : A 67 LYS NZ :NH3+ 140:sc= 0.194 (180deg=-0.169) USER MOD Single : A 74 GLN : amide:sc= -0.772! C(o=-0.77!,f=-3.9!) USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= 0.467 (180deg=0.0295!) USER MOD Single : A 76 GLN : amide:sc= -0.0496 K(o=-0.05,f=-0.64) USER MOD Single : A 77 LYS NZ :NH3+ -123:sc= 1.24 (180deg=-0.0139) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -169:sc=-0.00685 (180deg=-0.132) USER MOD Single : A 95 LYS NZ :NH3+ -136:sc= 1.27 (180deg=1.08) USER MOD Single : A 96 TYR OH : rot 110:sc= -1.11! USER MOD Single : A 97 LYS NZ :NH3+ 171:sc= -0.58 (180deg=-0.678) USER MOD Single : A 99 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.135 -3.586 13.602 1.00 44.41 N ATOM 2 CA MET A 1 -16.126 -3.554 12.509 1.00 14.54 C ATOM 3 C MET A 1 -16.485 -4.546 11.393 1.00 60.04 C ATOM 4 O MET A 1 -16.824 -5.701 11.664 1.00 73.14 O ATOM 5 CB MET A 1 -14.725 -3.867 13.060 1.00 13.42 C ATOM 6 CG MET A 1 -13.610 -3.728 12.027 1.00 21.30 C ATOM 7 SD MET A 1 -11.980 -4.097 12.710 1.00 33.21 S ATOM 8 CE MET A 1 -10.931 -3.747 11.299 1.00 52.32 C ATOM 0 H1 MET A 1 -16.867 -2.906 14.342 1.00 44.41 H new ATOM 0 H2 MET A 1 -18.068 -3.332 13.220 1.00 44.41 H new ATOM 0 H3 MET A 1 -17.176 -4.542 14.009 1.00 44.41 H new ATOM 0 HA MET A 1 -16.125 -2.549 12.087 1.00 14.54 H new ATOM 0 HB2 MET A 1 -14.517 -3.200 13.897 1.00 13.42 H new ATOM 0 HB3 MET A 1 -14.718 -4.884 13.453 1.00 13.42 H new ATOM 0 HG2 MET A 1 -13.809 -4.398 11.190 1.00 21.30 H new ATOM 0 HG3 MET A 1 -13.612 -2.713 11.630 1.00 21.30 H new ATOM 0 HE1 MET A 1 -9.890 -3.929 11.566 1.00 52.32 H new ATOM 0 HE2 MET A 1 -11.211 -4.394 10.468 1.00 52.32 H new ATOM 0 HE3 MET A 1 -11.053 -2.705 11.004 1.00 52.32 H new ATOM 20 N ASP A 2 -16.409 -4.090 10.141 1.00 43.24 N ATOM 21 CA ASP A 2 -16.690 -4.944 8.982 1.00 55.41 C ATOM 22 C ASP A 2 -15.580 -5.985 8.772 1.00 23.24 C ATOM 23 O ASP A 2 -14.389 -5.659 8.813 1.00 35.34 O ATOM 24 CB ASP A 2 -16.850 -4.090 7.719 1.00 1.01 C ATOM 25 CG ASP A 2 -18.034 -3.145 7.813 1.00 32.44 C ATOM 26 OD1 ASP A 2 -19.180 -3.609 7.634 1.00 54.14 O ATOM 27 OD2 ASP A 2 -17.825 -1.939 8.071 1.00 21.11 O ATOM 0 H ASP A 2 -16.155 -3.132 9.902 1.00 43.24 H new ATOM 0 HA ASP A 2 -17.621 -5.475 9.178 1.00 55.41 H new ATOM 0 HB2 ASP A 2 -15.940 -3.514 7.554 1.00 1.01 H new ATOM 0 HB3 ASP A 2 -16.975 -4.742 6.855 1.00 1.01 H new ATOM 32 N GLN A 3 -15.977 -7.234 8.536 1.00 32.41 N ATOM 33 CA GLN A 3 -15.022 -8.329 8.348 1.00 13.04 C ATOM 34 C GLN A 3 -14.106 -8.068 7.141 1.00 10.12 C ATOM 35 O GLN A 3 -12.936 -8.445 7.153 1.00 20.54 O ATOM 36 CB GLN A 3 -15.765 -9.663 8.177 1.00 2.25 C ATOM 37 CG GLN A 3 -14.857 -10.889 8.240 1.00 63.13 C ATOM 38 CD GLN A 3 -14.186 -11.061 9.596 1.00 52.11 C ATOM 39 OE1 GLN A 3 -14.723 -10.674 10.628 1.00 22.05 O ATOM 40 NE2 GLN A 3 -13.014 -11.661 9.609 1.00 44.43 N ATOM 0 H GLN A 3 -16.955 -7.515 8.470 1.00 32.41 H new ATOM 0 HA GLN A 3 -14.396 -8.386 9.239 1.00 13.04 H new ATOM 0 HB2 GLN A 3 -16.526 -9.746 8.953 1.00 2.25 H new ATOM 0 HB3 GLN A 3 -16.286 -9.657 7.220 1.00 2.25 H new ATOM 0 HG2 GLN A 3 -15.442 -11.780 8.014 1.00 63.13 H new ATOM 0 HG3 GLN A 3 -14.091 -10.807 7.469 1.00 63.13 H new ATOM 0 HE21 GLN A 3 -12.591 -11.973 8.735 1.00 44.43 H new ATOM 0 HE22 GLN A 3 -12.529 -11.814 10.493 1.00 44.43 H new ATOM 49 N PHE A 4 -14.645 -7.405 6.115 1.00 51.41 N ATOM 50 CA PHE A 4 -13.855 -7.011 4.938 1.00 70.40 C ATOM 51 C PHE A 4 -12.582 -6.264 5.358 1.00 14.24 C ATOM 52 O PHE A 4 -11.476 -6.588 4.920 1.00 52.03 O ATOM 53 CB PHE A 4 -14.704 -6.130 4.003 1.00 45.20 C ATOM 54 CG PHE A 4 -13.910 -5.424 2.923 1.00 61.13 C ATOM 55 CD1 PHE A 4 -13.448 -6.114 1.811 1.00 22.23 C ATOM 56 CD2 PHE A 4 -13.624 -4.067 3.024 1.00 62.44 C ATOM 57 CE1 PHE A 4 -12.723 -5.469 0.825 1.00 73.04 C ATOM 58 CE2 PHE A 4 -12.899 -3.418 2.040 1.00 44.21 C ATOM 59 CZ PHE A 4 -12.449 -4.121 0.940 1.00 52.42 C ATOM 0 H PHE A 4 -15.626 -7.128 6.072 1.00 51.41 H new ATOM 0 HA PHE A 4 -13.559 -7.915 4.405 1.00 70.40 H new ATOM 0 HB2 PHE A 4 -15.466 -6.750 3.531 1.00 45.20 H new ATOM 0 HB3 PHE A 4 -15.226 -5.383 4.601 1.00 45.20 H new ATOM 0 HD1 PHE A 4 -13.657 -7.169 1.714 1.00 22.23 H new ATOM 0 HD2 PHE A 4 -13.973 -3.512 3.882 1.00 62.44 H new ATOM 0 HE1 PHE A 4 -12.371 -6.020 -0.035 1.00 73.04 H new ATOM 0 HE2 PHE A 4 -12.685 -2.363 2.132 1.00 44.21 H new ATOM 0 HZ PHE A 4 -11.883 -3.617 0.171 1.00 52.42 H new ATOM 69 N LEU A 5 -12.756 -5.270 6.221 1.00 63.12 N ATOM 70 CA LEU A 5 -11.635 -4.495 6.752 1.00 51.52 C ATOM 71 C LEU A 5 -10.671 -5.392 7.544 1.00 31.31 C ATOM 72 O LEU A 5 -9.458 -5.317 7.371 1.00 44.32 O ATOM 73 CB LEU A 5 -12.163 -3.361 7.637 1.00 20.24 C ATOM 74 CG LEU A 5 -13.084 -2.356 6.924 1.00 32.24 C ATOM 75 CD1 LEU A 5 -13.654 -1.348 7.916 1.00 34.01 C ATOM 76 CD2 LEU A 5 -12.339 -1.645 5.796 1.00 72.14 C ATOM 0 H LEU A 5 -13.668 -4.978 6.571 1.00 63.12 H new ATOM 0 HA LEU A 5 -11.081 -4.067 5.916 1.00 51.52 H new ATOM 0 HB2 LEU A 5 -12.706 -3.797 8.475 1.00 20.24 H new ATOM 0 HB3 LEU A 5 -11.314 -2.820 8.054 1.00 20.24 H new ATOM 0 HG LEU A 5 -13.915 -2.908 6.486 1.00 32.24 H new ATOM 0 HD11 LEU A 5 -14.302 -0.647 7.390 1.00 34.01 H new ATOM 0 HD12 LEU A 5 -14.230 -1.873 8.678 1.00 34.01 H new ATOM 0 HD13 LEU A 5 -12.838 -0.802 8.390 1.00 34.01 H new ATOM 0 HD21 LEU A 5 -13.009 -0.939 5.306 1.00 72.14 H new ATOM 0 HD22 LEU A 5 -11.484 -1.108 6.207 1.00 72.14 H new ATOM 0 HD23 LEU A 5 -11.991 -2.380 5.070 1.00 72.14 H new ATOM 88 N VAL A 6 -11.224 -6.256 8.394 1.00 2.31 N ATOM 89 CA VAL A 6 -10.413 -7.199 9.176 1.00 61.22 C ATOM 90 C VAL A 6 -9.535 -8.076 8.262 1.00 52.10 C ATOM 91 O VAL A 6 -8.367 -8.328 8.558 1.00 14.10 O ATOM 92 CB VAL A 6 -11.304 -8.118 10.052 1.00 43.21 C ATOM 93 CG1 VAL A 6 -10.452 -9.054 10.909 1.00 50.20 C ATOM 94 CG2 VAL A 6 -12.248 -7.293 10.925 1.00 34.33 C ATOM 0 H VAL A 6 -12.228 -6.326 8.561 1.00 2.31 H new ATOM 0 HA VAL A 6 -9.771 -6.600 9.822 1.00 61.22 H new ATOM 0 HB VAL A 6 -11.909 -8.731 9.384 1.00 43.21 H new ATOM 0 HG11 VAL A 6 -11.102 -9.687 11.513 1.00 50.20 H new ATOM 0 HG12 VAL A 6 -9.836 -9.679 10.263 1.00 50.20 H new ATOM 0 HG13 VAL A 6 -9.810 -8.464 11.563 1.00 50.20 H new ATOM 0 HG21 VAL A 6 -12.862 -7.961 11.529 1.00 34.33 H new ATOM 0 HG22 VAL A 6 -11.665 -6.644 11.579 1.00 34.33 H new ATOM 0 HG23 VAL A 6 -12.892 -6.684 10.290 1.00 34.33 H new ATOM 104 N GLN A 7 -10.108 -8.524 7.145 1.00 40.41 N ATOM 105 CA GLN A 7 -9.396 -9.397 6.201 1.00 20.42 C ATOM 106 C GLN A 7 -8.208 -8.678 5.546 1.00 14.51 C ATOM 107 O GLN A 7 -7.061 -9.117 5.666 1.00 13.24 O ATOM 108 CB GLN A 7 -10.357 -9.914 5.118 1.00 43.14 C ATOM 109 CG GLN A 7 -11.537 -10.710 5.669 1.00 13.13 C ATOM 110 CD GLN A 7 -11.107 -11.928 6.466 1.00 51.34 C ATOM 111 OE1 GLN A 7 -10.968 -13.019 5.929 1.00 74.52 O ATOM 112 NE2 GLN A 7 -10.883 -11.749 7.755 1.00 61.43 N ATOM 0 H GLN A 7 -11.064 -8.299 6.868 1.00 40.41 H new ATOM 0 HA GLN A 7 -9.006 -10.241 6.769 1.00 20.42 H new ATOM 0 HB2 GLN A 7 -10.737 -9.066 4.548 1.00 43.14 H new ATOM 0 HB3 GLN A 7 -9.801 -10.542 4.422 1.00 43.14 H new ATOM 0 HG2 GLN A 7 -12.142 -10.062 6.303 1.00 13.13 H new ATOM 0 HG3 GLN A 7 -12.172 -11.029 4.842 1.00 13.13 H new ATOM 0 HE21 GLN A 7 -11.008 -10.826 8.171 1.00 61.43 H new ATOM 0 HE22 GLN A 7 -10.585 -12.534 8.335 1.00 61.43 H new ATOM 121 N ILE A 8 -8.485 -7.571 4.857 1.00 13.23 N ATOM 122 CA ILE A 8 -7.437 -6.817 4.163 1.00 63.11 C ATOM 123 C ILE A 8 -6.367 -6.292 5.142 1.00 52.33 C ATOM 124 O ILE A 8 -5.169 -6.375 4.861 1.00 11.51 O ATOM 125 CB ILE A 8 -8.023 -5.640 3.334 1.00 64.05 C ATOM 126 CG1 ILE A 8 -8.821 -4.680 4.233 1.00 72.20 C ATOM 127 CG2 ILE A 8 -8.900 -6.171 2.197 1.00 63.01 C ATOM 128 CD1 ILE A 8 -9.380 -3.472 3.507 1.00 21.53 C ATOM 0 H ILE A 8 -9.421 -7.177 4.764 1.00 13.23 H new ATOM 0 HA ILE A 8 -6.960 -7.515 3.475 1.00 63.11 H new ATOM 0 HB ILE A 8 -7.194 -5.083 2.899 1.00 64.05 H new ATOM 0 HG12 ILE A 8 -9.644 -5.228 4.691 1.00 72.20 H new ATOM 0 HG13 ILE A 8 -8.177 -4.338 5.043 1.00 72.20 H new ATOM 0 HG21 ILE A 8 -9.302 -5.334 1.627 1.00 63.01 H new ATOM 0 HG22 ILE A 8 -8.302 -6.803 1.541 1.00 63.01 H new ATOM 0 HG23 ILE A 8 -9.721 -6.755 2.613 1.00 63.01 H new ATOM 0 HD11 ILE A 8 -9.929 -2.846 4.211 1.00 21.53 H new ATOM 0 HD12 ILE A 8 -8.562 -2.898 3.072 1.00 21.53 H new ATOM 0 HD13 ILE A 8 -10.052 -3.802 2.715 1.00 21.53 H new ATOM 140 N PHE A 9 -6.797 -5.775 6.299 1.00 3.44 N ATOM 141 CA PHE A 9 -5.862 -5.300 7.327 1.00 42.14 C ATOM 142 C PHE A 9 -4.920 -6.425 7.780 1.00 64.24 C ATOM 143 O PHE A 9 -3.698 -6.251 7.814 1.00 53.31 O ATOM 144 CB PHE A 9 -6.621 -4.740 8.545 1.00 61.15 C ATOM 145 CG PHE A 9 -7.345 -3.431 8.302 1.00 34.54 C ATOM 146 CD1 PHE A 9 -7.500 -2.917 7.019 1.00 51.51 C ATOM 147 CD2 PHE A 9 -7.870 -2.713 9.369 1.00 45.31 C ATOM 148 CE1 PHE A 9 -8.163 -1.721 6.810 1.00 32.34 C ATOM 149 CE2 PHE A 9 -8.534 -1.517 9.162 1.00 42.23 C ATOM 150 CZ PHE A 9 -8.680 -1.021 7.882 1.00 21.12 C ATOM 0 H PHE A 9 -7.781 -5.675 6.547 1.00 3.44 H new ATOM 0 HA PHE A 9 -5.267 -4.502 6.883 1.00 42.14 H new ATOM 0 HB2 PHE A 9 -7.347 -5.483 8.875 1.00 61.15 H new ATOM 0 HB3 PHE A 9 -5.913 -4.600 9.362 1.00 61.15 H new ATOM 0 HD1 PHE A 9 -7.098 -3.458 6.175 1.00 51.51 H new ATOM 0 HD2 PHE A 9 -7.758 -3.093 10.374 1.00 45.31 H new ATOM 0 HE1 PHE A 9 -8.276 -1.335 5.808 1.00 32.34 H new ATOM 0 HE2 PHE A 9 -8.938 -0.971 10.002 1.00 42.23 H new ATOM 0 HZ PHE A 9 -9.198 -0.087 7.719 1.00 21.12 H new ATOM 160 N ALA A 10 -5.497 -7.582 8.114 1.00 70.30 N ATOM 161 CA ALA A 10 -4.716 -8.740 8.567 1.00 3.40 C ATOM 162 C ALA A 10 -3.612 -9.115 7.565 1.00 54.22 C ATOM 163 O ALA A 10 -2.497 -9.450 7.958 1.00 1.45 O ATOM 164 CB ALA A 10 -5.636 -9.933 8.806 1.00 14.53 C ATOM 0 H ALA A 10 -6.504 -7.744 8.080 1.00 70.30 H new ATOM 0 HA ALA A 10 -4.230 -8.464 9.503 1.00 3.40 H new ATOM 0 HB1 ALA A 10 -5.046 -10.786 9.142 1.00 14.53 H new ATOM 0 HB2 ALA A 10 -6.372 -9.678 9.569 1.00 14.53 H new ATOM 0 HB3 ALA A 10 -6.149 -10.189 7.879 1.00 14.53 H new ATOM 170 N VAL A 11 -3.930 -9.042 6.270 1.00 22.34 N ATOM 171 CA VAL A 11 -2.963 -9.374 5.214 1.00 61.02 C ATOM 172 C VAL A 11 -1.804 -8.362 5.181 1.00 43.33 C ATOM 173 O VAL A 11 -0.637 -8.736 5.053 1.00 52.33 O ATOM 174 CB VAL A 11 -3.648 -9.418 3.821 1.00 62.41 C ATOM 175 CG1 VAL A 11 -2.640 -9.743 2.719 1.00 11.32 C ATOM 176 CG2 VAL A 11 -4.797 -10.425 3.816 1.00 74.53 C ATOM 0 H VAL A 11 -4.847 -8.757 5.925 1.00 22.34 H new ATOM 0 HA VAL A 11 -2.564 -10.362 5.445 1.00 61.02 H new ATOM 0 HB VAL A 11 -4.057 -8.428 3.618 1.00 62.41 H new ATOM 0 HG11 VAL A 11 -3.149 -9.767 1.756 1.00 11.32 H new ATOM 0 HG12 VAL A 11 -1.863 -8.979 2.700 1.00 11.32 H new ATOM 0 HG13 VAL A 11 -2.188 -10.715 2.915 1.00 11.32 H new ATOM 0 HG21 VAL A 11 -5.263 -10.440 2.831 1.00 74.53 H new ATOM 0 HG22 VAL A 11 -4.412 -11.417 4.051 1.00 74.53 H new ATOM 0 HG23 VAL A 11 -5.537 -10.137 4.563 1.00 74.53 H new ATOM 186 N ILE A 12 -2.138 -7.082 5.318 1.00 31.52 N ATOM 187 CA ILE A 12 -1.143 -6.003 5.296 1.00 35.52 C ATOM 188 C ILE A 12 -0.126 -6.131 6.448 1.00 5.13 C ATOM 189 O ILE A 12 1.042 -5.765 6.301 1.00 43.23 O ATOM 190 CB ILE A 12 -1.839 -4.621 5.368 1.00 22.05 C ATOM 191 CG1 ILE A 12 -2.812 -4.456 4.190 1.00 45.21 C ATOM 192 CG2 ILE A 12 -0.810 -3.492 5.378 1.00 1.32 C ATOM 193 CD1 ILE A 12 -3.689 -3.226 4.286 1.00 4.32 C ATOM 0 H ILE A 12 -3.097 -6.760 5.447 1.00 31.52 H new ATOM 0 HA ILE A 12 -0.599 -6.089 4.355 1.00 35.52 H new ATOM 0 HB ILE A 12 -2.404 -4.568 6.299 1.00 22.05 H new ATOM 0 HG12 ILE A 12 -2.240 -4.411 3.263 1.00 45.21 H new ATOM 0 HG13 ILE A 12 -3.448 -5.340 4.130 1.00 45.21 H new ATOM 0 HG21 ILE A 12 -1.324 -2.532 5.429 1.00 1.32 H new ATOM 0 HG22 ILE A 12 -0.158 -3.601 6.245 1.00 1.32 H new ATOM 0 HG23 ILE A 12 -0.213 -3.536 4.467 1.00 1.32 H new ATOM 0 HD11 ILE A 12 -4.347 -3.180 3.419 1.00 4.32 H new ATOM 0 HD12 ILE A 12 -4.289 -3.277 5.195 1.00 4.32 H new ATOM 0 HD13 ILE A 12 -3.063 -2.334 4.314 1.00 4.32 H new ATOM 205 N HIS A 13 -0.566 -6.666 7.588 1.00 74.10 N ATOM 206 CA HIS A 13 0.326 -6.862 8.745 1.00 45.04 C ATOM 207 C HIS A 13 1.486 -7.831 8.433 1.00 62.34 C ATOM 208 O HIS A 13 2.468 -7.889 9.177 1.00 23.05 O ATOM 209 CB HIS A 13 -0.464 -7.365 9.964 1.00 64.23 C ATOM 210 CG HIS A 13 -1.299 -6.306 10.627 1.00 1.52 C ATOM 211 ND1 HIS A 13 -0.732 -5.364 11.452 1.00 2.54 N ATOM 212 CD2 HIS A 13 -2.635 -6.085 10.564 1.00 5.35 C ATOM 213 CE1 HIS A 13 -1.724 -4.597 11.869 1.00 14.14 C ATOM 214 NE2 HIS A 13 -2.895 -4.994 11.359 1.00 41.13 N ATOM 0 H HIS A 13 -1.527 -6.971 7.740 1.00 74.10 H new ATOM 0 HA HIS A 13 0.761 -5.889 8.975 1.00 45.04 H new ATOM 0 HB2 HIS A 13 -1.113 -8.183 9.652 1.00 64.23 H new ATOM 0 HB3 HIS A 13 0.235 -7.773 10.694 1.00 64.23 H new ATOM 0 HD2 HIS A 13 -3.356 -6.656 9.998 1.00 5.35 H new ATOM 0 HE1 HIS A 13 -1.604 -3.757 12.537 1.00 14.14 H new ATOM 0 HE2 HIS A 13 -3.807 -4.569 11.528 1.00 41.13 H new ATOM 222 N GLN A 14 1.371 -8.588 7.339 1.00 3.34 N ATOM 223 CA GLN A 14 2.429 -9.527 6.924 1.00 24.04 C ATOM 224 C GLN A 14 3.505 -8.853 6.047 1.00 44.22 C ATOM 225 O GLN A 14 4.515 -9.480 5.708 1.00 43.50 O ATOM 226 CB GLN A 14 1.821 -10.726 6.173 1.00 13.11 C ATOM 227 CG GLN A 14 1.313 -11.849 7.070 1.00 70.42 C ATOM 228 CD GLN A 14 0.205 -11.417 8.016 1.00 13.34 C ATOM 229 OE1 GLN A 14 0.455 -10.954 9.124 1.00 21.32 O ATOM 230 NE2 GLN A 14 -1.028 -11.591 7.596 1.00 0.01 N ATOM 0 H GLN A 14 0.559 -8.573 6.722 1.00 3.34 H new ATOM 0 HA GLN A 14 2.917 -9.874 7.835 1.00 24.04 H new ATOM 0 HB2 GLN A 14 0.995 -10.370 5.557 1.00 13.11 H new ATOM 0 HB3 GLN A 14 2.572 -11.132 5.496 1.00 13.11 H new ATOM 0 HG2 GLN A 14 0.949 -12.665 6.446 1.00 70.42 H new ATOM 0 HG3 GLN A 14 2.146 -12.241 7.654 1.00 70.42 H new ATOM 0 HE21 GLN A 14 -1.201 -11.979 6.668 1.00 0.01 H new ATOM 0 HE22 GLN A 14 -1.812 -11.338 8.197 1.00 0.01 H new ATOM 239 N ILE A 15 3.295 -7.588 5.681 1.00 3.12 N ATOM 240 CA ILE A 15 4.248 -6.862 4.830 1.00 1.32 C ATOM 241 C ILE A 15 5.434 -6.311 5.651 1.00 0.33 C ATOM 242 O ILE A 15 5.248 -5.484 6.551 1.00 0.12 O ATOM 243 CB ILE A 15 3.562 -5.688 4.077 1.00 53.14 C ATOM 244 CG1 ILE A 15 2.344 -6.191 3.278 1.00 20.44 C ATOM 245 CG2 ILE A 15 4.561 -4.989 3.151 1.00 53.13 C ATOM 246 CD1 ILE A 15 1.577 -5.094 2.562 1.00 62.11 C ATOM 0 H ILE A 15 2.478 -7.044 5.957 1.00 3.12 H new ATOM 0 HA ILE A 15 4.622 -7.581 4.101 1.00 1.32 H new ATOM 0 HB ILE A 15 3.212 -4.966 4.815 1.00 53.14 H new ATOM 0 HG12 ILE A 15 2.681 -6.922 2.544 1.00 20.44 H new ATOM 0 HG13 ILE A 15 1.667 -6.710 3.957 1.00 20.44 H new ATOM 0 HG21 ILE A 15 4.064 -4.170 2.632 1.00 53.13 H new ATOM 0 HG22 ILE A 15 5.389 -4.596 3.740 1.00 53.13 H new ATOM 0 HG23 ILE A 15 4.942 -5.703 2.421 1.00 53.13 H new ATOM 0 HD11 ILE A 15 0.736 -5.530 2.023 1.00 62.11 H new ATOM 0 HD12 ILE A 15 1.207 -4.373 3.291 1.00 62.11 H new ATOM 0 HD13 ILE A 15 2.237 -4.590 1.856 1.00 62.11 H new ATOM 258 N PRO A 16 6.673 -6.759 5.357 1.00 32.34 N ATOM 259 CA PRO A 16 7.876 -6.281 6.062 1.00 1.30 C ATOM 260 C PRO A 16 8.312 -4.870 5.624 1.00 2.24 C ATOM 261 O PRO A 16 7.939 -4.396 4.549 1.00 10.53 O ATOM 262 CB PRO A 16 8.936 -7.317 5.675 1.00 40.13 C ATOM 263 CG PRO A 16 8.512 -7.794 4.325 1.00 70.31 C ATOM 264 CD PRO A 16 7.005 -7.762 4.323 1.00 72.21 C ATOM 0 HA PRO A 16 7.708 -6.192 7.135 1.00 1.30 H new ATOM 0 HB2 PRO A 16 9.932 -6.875 5.646 1.00 40.13 H new ATOM 0 HB3 PRO A 16 8.972 -8.136 6.393 1.00 40.13 H new ATOM 0 HG2 PRO A 16 8.916 -7.154 3.541 1.00 70.31 H new ATOM 0 HG3 PRO A 16 8.880 -8.802 4.135 1.00 70.31 H new ATOM 0 HD2 PRO A 16 6.612 -7.476 3.347 1.00 72.21 H new ATOM 0 HD3 PRO A 16 6.584 -8.738 4.563 1.00 72.21 H new ATOM 272 N LYS A 17 9.105 -4.208 6.467 1.00 12.55 N ATOM 273 CA LYS A 17 9.612 -2.863 6.161 1.00 12.14 C ATOM 274 C LYS A 17 10.513 -2.874 4.913 1.00 34.11 C ATOM 275 O LYS A 17 11.422 -3.699 4.802 1.00 13.01 O ATOM 276 CB LYS A 17 10.392 -2.307 7.362 1.00 53.14 C ATOM 277 CG LYS A 17 10.869 -0.870 7.171 1.00 3.35 C ATOM 278 CD LYS A 17 11.641 -0.349 8.379 1.00 30.21 C ATOM 279 CE LYS A 17 12.986 -1.047 8.541 1.00 44.13 C ATOM 280 NZ LYS A 17 13.737 -0.529 9.714 1.00 21.34 N ATOM 0 H LYS A 17 9.412 -4.578 7.367 1.00 12.55 H new ATOM 0 HA LYS A 17 8.755 -2.221 5.956 1.00 12.14 H new ATOM 0 HB2 LYS A 17 9.760 -2.356 8.249 1.00 53.14 H new ATOM 0 HB3 LYS A 17 11.255 -2.945 7.550 1.00 53.14 H new ATOM 0 HG2 LYS A 17 11.503 -0.815 6.286 1.00 3.35 H new ATOM 0 HG3 LYS A 17 10.009 -0.226 6.987 1.00 3.35 H new ATOM 0 HD2 LYS A 17 11.800 0.724 8.272 1.00 30.21 H new ATOM 0 HD3 LYS A 17 11.046 -0.495 9.280 1.00 30.21 H new ATOM 0 HE2 LYS A 17 12.828 -2.119 8.655 1.00 44.13 H new ATOM 0 HE3 LYS A 17 13.580 -0.907 7.638 1.00 44.13 H new ATOM 0 HZ1 LYS A 17 14.646 -1.028 9.792 1.00 21.34 H new ATOM 0 HZ2 LYS A 17 13.910 0.489 9.593 1.00 21.34 H new ATOM 0 HZ3 LYS A 17 13.181 -0.686 10.579 1.00 21.34 H new ATOM 294 N GLY A 18 10.258 -1.957 3.982 1.00 44.43 N ATOM 295 CA GLY A 18 11.057 -1.887 2.758 1.00 31.22 C ATOM 296 C GLY A 18 10.430 -2.627 1.576 1.00 11.55 C ATOM 297 O GLY A 18 11.017 -2.690 0.493 1.00 73.03 O ATOM 0 H GLY A 18 9.516 -1.261 4.048 1.00 44.43 H new ATOM 0 HA2 GLY A 18 11.200 -0.841 2.487 1.00 31.22 H new ATOM 0 HA3 GLY A 18 12.045 -2.304 2.954 1.00 31.22 H new ATOM 301 N LYS A 19 9.241 -3.197 1.782 1.00 3.30 N ATOM 302 CA LYS A 19 8.499 -3.865 0.704 1.00 0.51 C ATOM 303 C LYS A 19 7.108 -3.245 0.506 1.00 2.32 C ATOM 304 O LYS A 19 6.483 -2.769 1.455 1.00 65.23 O ATOM 305 CB LYS A 19 8.357 -5.376 0.981 1.00 61.43 C ATOM 306 CG LYS A 19 9.629 -6.185 0.744 1.00 32.42 C ATOM 307 CD LYS A 19 10.183 -5.963 -0.662 1.00 34.41 C ATOM 308 CE LYS A 19 11.217 -7.014 -1.049 1.00 31.54 C ATOM 309 NZ LYS A 19 10.593 -8.343 -1.291 1.00 62.42 N ATOM 0 H LYS A 19 8.768 -3.211 2.686 1.00 3.30 H new ATOM 0 HA LYS A 19 9.074 -3.724 -0.211 1.00 0.51 H new ATOM 0 HB2 LYS A 19 8.041 -5.515 2.015 1.00 61.43 H new ATOM 0 HB3 LYS A 19 7.564 -5.776 0.349 1.00 61.43 H new ATOM 0 HG2 LYS A 19 10.382 -5.905 1.481 1.00 32.42 H new ATOM 0 HG3 LYS A 19 9.419 -7.245 0.890 1.00 32.42 H new ATOM 0 HD2 LYS A 19 9.363 -5.981 -1.380 1.00 34.41 H new ATOM 0 HD3 LYS A 19 10.635 -4.973 -0.720 1.00 34.41 H new ATOM 0 HE2 LYS A 19 11.744 -6.691 -1.947 1.00 31.54 H new ATOM 0 HE3 LYS A 19 11.961 -7.101 -0.257 1.00 31.54 H new ATOM 0 HZ1 LYS A 19 11.187 -8.891 -1.945 1.00 62.42 H new ATOM 0 HZ2 LYS A 19 10.507 -8.855 -0.390 1.00 62.42 H new ATOM 0 HZ3 LYS A 19 9.649 -8.213 -1.707 1.00 62.42 H new ATOM 323 N VAL A 20 6.630 -3.264 -0.736 1.00 4.43 N ATOM 324 CA VAL A 20 5.304 -2.743 -1.076 1.00 64.00 C ATOM 325 C VAL A 20 4.458 -3.798 -1.806 1.00 11.00 C ATOM 326 O VAL A 20 4.978 -4.639 -2.541 1.00 31.12 O ATOM 327 CB VAL A 20 5.392 -1.467 -1.961 1.00 25.23 C ATOM 328 CG1 VAL A 20 6.104 -0.335 -1.221 1.00 1.42 C ATOM 329 CG2 VAL A 20 6.079 -1.764 -3.296 1.00 35.31 C ATOM 0 H VAL A 20 7.146 -3.638 -1.532 1.00 4.43 H new ATOM 0 HA VAL A 20 4.825 -2.485 -0.131 1.00 64.00 H new ATOM 0 HB VAL A 20 4.374 -1.142 -2.176 1.00 25.23 H new ATOM 0 HG11 VAL A 20 6.152 0.545 -1.862 1.00 1.42 H new ATOM 0 HG12 VAL A 20 5.554 -0.092 -0.312 1.00 1.42 H new ATOM 0 HG13 VAL A 20 7.115 -0.650 -0.961 1.00 1.42 H new ATOM 0 HG21 VAL A 20 6.125 -0.853 -3.892 1.00 35.31 H new ATOM 0 HG22 VAL A 20 7.089 -2.129 -3.112 1.00 35.31 H new ATOM 0 HG23 VAL A 20 5.512 -2.522 -3.836 1.00 35.31 H new ATOM 339 N SER A 21 3.150 -3.754 -1.587 1.00 52.33 N ATOM 340 CA SER A 21 2.208 -4.641 -2.281 1.00 62.34 C ATOM 341 C SER A 21 1.149 -3.819 -3.021 1.00 73.24 C ATOM 342 O SER A 21 1.103 -2.596 -2.899 1.00 44.21 O ATOM 343 CB SER A 21 1.528 -5.594 -1.288 1.00 63.51 C ATOM 344 OG SER A 21 0.627 -6.471 -1.951 1.00 41.11 O ATOM 0 H SER A 21 2.709 -3.110 -0.930 1.00 52.33 H new ATOM 0 HA SER A 21 2.769 -5.233 -3.005 1.00 62.34 H new ATOM 0 HB2 SER A 21 2.285 -6.176 -0.762 1.00 63.51 H new ATOM 0 HB3 SER A 21 0.990 -5.017 -0.536 1.00 63.51 H new ATOM 0 HG SER A 21 0.209 -7.068 -1.295 1.00 41.11 H new ATOM 350 N THR A 22 0.297 -4.488 -3.785 1.00 54.22 N ATOM 351 CA THR A 22 -0.751 -3.807 -4.554 1.00 55.54 C ATOM 352 C THR A 22 -2.131 -4.011 -3.921 1.00 61.41 C ATOM 353 O THR A 22 -2.400 -5.057 -3.325 1.00 1.42 O ATOM 354 CB THR A 22 -0.800 -4.312 -6.015 1.00 71.33 C ATOM 355 OG1 THR A 22 -1.119 -5.712 -6.044 1.00 51.21 O ATOM 356 CG2 THR A 22 0.533 -4.076 -6.723 1.00 42.03 C ATOM 0 H THR A 22 0.306 -5.502 -3.893 1.00 54.22 H new ATOM 0 HA THR A 22 -0.500 -2.746 -4.545 1.00 55.54 H new ATOM 0 HB THR A 22 -1.574 -3.751 -6.538 1.00 71.33 H new ATOM 0 HG1 THR A 22 -0.303 -6.236 -5.906 1.00 51.21 H new ATOM 0 HG21 THR A 22 0.470 -4.441 -7.748 1.00 42.03 H new ATOM 0 HG22 THR A 22 0.757 -3.009 -6.730 1.00 42.03 H new ATOM 0 HG23 THR A 22 1.324 -4.609 -6.196 1.00 42.03 H new ATOM 364 N TYR A 23 -3.005 -3.007 -4.048 1.00 2.42 N ATOM 365 CA TYR A 23 -4.394 -3.123 -3.574 1.00 31.12 C ATOM 366 C TYR A 23 -5.044 -4.409 -4.107 1.00 33.11 C ATOM 367 O TYR A 23 -5.818 -5.069 -3.409 1.00 5.25 O ATOM 368 CB TYR A 23 -5.230 -1.904 -4.010 1.00 71.54 C ATOM 369 CG TYR A 23 -4.679 -0.570 -3.535 1.00 11.21 C ATOM 370 CD1 TYR A 23 -4.558 -0.288 -2.179 1.00 63.32 C ATOM 371 CD2 TYR A 23 -4.278 0.405 -4.443 1.00 21.14 C ATOM 372 CE1 TYR A 23 -4.054 0.923 -1.743 1.00 34.34 C ATOM 373 CE2 TYR A 23 -3.773 1.618 -4.014 1.00 60.33 C ATOM 374 CZ TYR A 23 -3.663 1.873 -2.665 1.00 31.33 C ATOM 375 OH TYR A 23 -3.159 3.080 -2.237 1.00 20.21 O ATOM 0 H TYR A 23 -2.780 -2.107 -4.473 1.00 2.42 H new ATOM 0 HA TYR A 23 -4.369 -3.160 -2.485 1.00 31.12 H new ATOM 0 HB2 TYR A 23 -5.294 -1.892 -5.098 1.00 71.54 H new ATOM 0 HB3 TYR A 23 -6.246 -2.020 -3.632 1.00 71.54 H new ATOM 0 HD1 TYR A 23 -4.863 -1.028 -1.454 1.00 63.32 H new ATOM 0 HD2 TYR A 23 -4.363 0.211 -5.502 1.00 21.14 H new ATOM 0 HE1 TYR A 23 -3.967 1.125 -0.686 1.00 34.34 H new ATOM 0 HE2 TYR A 23 -3.466 2.363 -4.733 1.00 60.33 H new ATOM 0 HH TYR A 23 -2.299 2.935 -1.790 1.00 20.21 H new ATOM 385 N GLY A 24 -4.700 -4.761 -5.347 1.00 23.44 N ATOM 386 CA GLY A 24 -5.203 -5.984 -5.955 1.00 52.14 C ATOM 387 C GLY A 24 -4.766 -7.248 -5.217 1.00 10.42 C ATOM 388 O GLY A 24 -5.586 -8.117 -4.936 1.00 52.44 O ATOM 0 H GLY A 24 -4.078 -4.216 -5.944 1.00 23.44 H new ATOM 0 HA2 GLY A 24 -6.292 -5.946 -5.984 1.00 52.14 H new ATOM 0 HA3 GLY A 24 -4.858 -6.037 -6.988 1.00 52.14 H new ATOM 392 N GLU A 25 -3.469 -7.352 -4.902 1.00 3.12 N ATOM 393 CA GLU A 25 -2.938 -8.524 -4.183 1.00 0.33 C ATOM 394 C GLU A 25 -3.513 -8.634 -2.765 1.00 73.42 C ATOM 395 O GLU A 25 -3.975 -9.700 -2.362 1.00 42.10 O ATOM 396 CB GLU A 25 -1.400 -8.483 -4.133 1.00 74.20 C ATOM 397 CG GLU A 25 -0.745 -8.748 -5.484 1.00 24.35 C ATOM 398 CD GLU A 25 0.774 -8.674 -5.442 1.00 3.12 C ATOM 399 OE1 GLU A 25 1.419 -9.720 -5.202 1.00 11.53 O ATOM 400 OE2 GLU A 25 1.329 -7.579 -5.670 1.00 72.14 O ATOM 0 H GLU A 25 -2.769 -6.646 -5.130 1.00 3.12 H new ATOM 0 HA GLU A 25 -3.250 -9.410 -4.737 1.00 0.33 H new ATOM 0 HB2 GLU A 25 -1.081 -7.507 -3.768 1.00 74.20 H new ATOM 0 HB3 GLU A 25 -1.047 -9.223 -3.415 1.00 74.20 H new ATOM 0 HG2 GLU A 25 -1.044 -9.735 -5.837 1.00 24.35 H new ATOM 0 HG3 GLU A 25 -1.117 -8.024 -6.209 1.00 24.35 H new ATOM 407 N ILE A 26 -3.496 -7.533 -2.015 1.00 23.21 N ATOM 408 CA ILE A 26 -4.061 -7.511 -0.659 1.00 32.33 C ATOM 409 C ILE A 26 -5.532 -7.968 -0.665 1.00 15.02 C ATOM 410 O ILE A 26 -5.932 -8.839 0.113 1.00 74.12 O ATOM 411 CB ILE A 26 -3.964 -6.095 -0.033 1.00 61.31 C ATOM 412 CG1 ILE A 26 -2.495 -5.635 0.042 1.00 4.10 C ATOM 413 CG2 ILE A 26 -4.611 -6.066 1.354 1.00 72.21 C ATOM 414 CD1 ILE A 26 -1.616 -6.510 0.915 1.00 51.31 C ATOM 0 H ILE A 26 -3.099 -6.644 -2.319 1.00 23.21 H new ATOM 0 HA ILE A 26 -3.475 -8.204 -0.055 1.00 32.33 H new ATOM 0 HB ILE A 26 -4.509 -5.402 -0.674 1.00 61.31 H new ATOM 0 HG12 ILE A 26 -2.080 -5.613 -0.966 1.00 4.10 H new ATOM 0 HG13 ILE A 26 -2.464 -4.614 0.422 1.00 4.10 H new ATOM 0 HG21 ILE A 26 -4.530 -5.063 1.772 1.00 72.21 H new ATOM 0 HG22 ILE A 26 -5.662 -6.341 1.271 1.00 72.21 H new ATOM 0 HG23 ILE A 26 -4.102 -6.774 2.008 1.00 72.21 H new ATOM 0 HD11 ILE A 26 -0.599 -6.119 0.915 1.00 51.31 H new ATOM 0 HD12 ILE A 26 -2.003 -6.513 1.934 1.00 51.31 H new ATOM 0 HD13 ILE A 26 -1.614 -7.528 0.525 1.00 51.31 H new ATOM 426 N ALA A 27 -6.326 -7.385 -1.563 1.00 3.14 N ATOM 427 CA ALA A 27 -7.732 -7.764 -1.723 1.00 20.41 C ATOM 428 C ALA A 27 -7.873 -9.226 -2.176 1.00 11.50 C ATOM 429 O ALA A 27 -8.718 -9.967 -1.674 1.00 35.30 O ATOM 430 CB ALA A 27 -8.416 -6.832 -2.717 1.00 12.41 C ATOM 0 H ALA A 27 -6.019 -6.645 -2.194 1.00 3.14 H new ATOM 0 HA ALA A 27 -8.218 -7.670 -0.752 1.00 20.41 H new ATOM 0 HB1 ALA A 27 -9.461 -7.122 -2.829 1.00 12.41 H new ATOM 0 HB2 ALA A 27 -8.362 -5.807 -2.351 1.00 12.41 H new ATOM 0 HB3 ALA A 27 -7.915 -6.900 -3.683 1.00 12.41 H new ATOM 436 N LYS A 28 -7.031 -9.634 -3.123 1.00 63.32 N ATOM 437 CA LYS A 28 -7.030 -11.009 -3.642 1.00 52.51 C ATOM 438 C LYS A 28 -6.751 -12.031 -2.526 1.00 12.41 C ATOM 439 O LYS A 28 -7.399 -13.078 -2.447 1.00 70.10 O ATOM 440 CB LYS A 28 -5.977 -11.138 -4.753 1.00 2.40 C ATOM 441 CG LYS A 28 -5.877 -12.526 -5.372 1.00 41.42 C ATOM 442 CD LYS A 28 -4.805 -12.582 -6.459 1.00 41.31 C ATOM 443 CE LYS A 28 -4.723 -13.959 -7.104 1.00 60.50 C ATOM 444 NZ LYS A 28 -5.996 -14.338 -7.769 1.00 73.13 N ATOM 0 H LYS A 28 -6.332 -9.028 -3.553 1.00 63.32 H new ATOM 0 HA LYS A 28 -8.019 -11.223 -4.048 1.00 52.51 H new ATOM 0 HB2 LYS A 28 -6.207 -10.419 -5.539 1.00 2.40 H new ATOM 0 HB3 LYS A 28 -5.003 -10.865 -4.347 1.00 2.40 H new ATOM 0 HG2 LYS A 28 -5.647 -13.255 -4.595 1.00 41.42 H new ATOM 0 HG3 LYS A 28 -6.841 -12.806 -5.796 1.00 41.42 H new ATOM 0 HD2 LYS A 28 -5.023 -11.836 -7.223 1.00 41.31 H new ATOM 0 HD3 LYS A 28 -3.837 -12.324 -6.028 1.00 41.31 H new ATOM 0 HE2 LYS A 28 -3.915 -13.969 -7.835 1.00 60.50 H new ATOM 0 HE3 LYS A 28 -4.476 -14.701 -6.345 1.00 60.50 H new ATOM 0 HZ1 LYS A 28 -5.837 -15.168 -8.376 1.00 73.13 H new ATOM 0 HZ2 LYS A 28 -6.709 -14.568 -7.048 1.00 73.13 H new ATOM 0 HZ3 LYS A 28 -6.334 -13.544 -8.350 1.00 73.13 H new ATOM 458 N MET A 29 -5.791 -11.715 -1.660 1.00 64.15 N ATOM 459 CA MET A 29 -5.442 -12.579 -0.526 1.00 51.31 C ATOM 460 C MET A 29 -6.558 -12.581 0.530 1.00 45.03 C ATOM 461 O MET A 29 -6.817 -13.598 1.179 1.00 11.11 O ATOM 462 CB MET A 29 -4.120 -12.113 0.100 1.00 54.14 C ATOM 463 CG MET A 29 -2.940 -12.164 -0.860 1.00 34.41 C ATOM 464 SD MET A 29 -1.411 -11.569 -0.113 1.00 23.24 S ATOM 465 CE MET A 29 -0.300 -11.626 -1.517 1.00 13.15 C ATOM 0 H MET A 29 -5.235 -10.862 -1.720 1.00 64.15 H new ATOM 0 HA MET A 29 -5.324 -13.598 -0.895 1.00 51.31 H new ATOM 0 HB2 MET A 29 -4.239 -11.092 0.462 1.00 54.14 H new ATOM 0 HB3 MET A 29 -3.899 -12.735 0.967 1.00 54.14 H new ATOM 0 HG2 MET A 29 -2.798 -13.190 -1.201 1.00 34.41 H new ATOM 0 HG3 MET A 29 -3.167 -11.564 -1.741 1.00 34.41 H new ATOM 0 HE1 MET A 29 0.528 -10.937 -1.354 1.00 13.15 H new ATOM 0 HE2 MET A 29 0.088 -12.638 -1.633 1.00 13.15 H new ATOM 0 HE3 MET A 29 -0.839 -11.338 -2.419 1.00 13.15 H new ATOM 475 N ALA A 30 -7.213 -11.432 0.694 1.00 74.22 N ATOM 476 CA ALA A 30 -8.349 -11.301 1.613 1.00 52.23 C ATOM 477 C ALA A 30 -9.596 -12.034 1.084 1.00 20.21 C ATOM 478 O ALA A 30 -10.414 -12.533 1.861 1.00 13.43 O ATOM 479 CB ALA A 30 -8.663 -9.828 1.846 1.00 2.42 C ATOM 0 H ALA A 30 -6.976 -10.572 0.200 1.00 74.22 H new ATOM 0 HA ALA A 30 -8.070 -11.766 2.559 1.00 52.23 H new ATOM 0 HB1 ALA A 30 -9.508 -9.740 2.529 1.00 2.42 H new ATOM 0 HB2 ALA A 30 -7.793 -9.335 2.279 1.00 2.42 H new ATOM 0 HB3 ALA A 30 -8.913 -9.355 0.897 1.00 2.42 H new ATOM 485 N GLY A 31 -9.729 -12.104 -0.241 1.00 2.54 N ATOM 486 CA GLY A 31 -10.868 -12.784 -0.861 1.00 65.34 C ATOM 487 C GLY A 31 -11.841 -11.829 -1.552 1.00 71.35 C ATOM 488 O GLY A 31 -12.957 -12.217 -1.913 1.00 74.54 O ATOM 0 H GLY A 31 -9.066 -11.701 -0.903 1.00 2.54 H new ATOM 0 HA2 GLY A 31 -10.498 -13.505 -1.590 1.00 65.34 H new ATOM 0 HA3 GLY A 31 -11.404 -13.348 -0.098 1.00 65.34 H new ATOM 492 N TYR A 32 -11.414 -10.582 -1.756 1.00 14.44 N ATOM 493 CA TYR A 32 -12.263 -9.553 -2.376 1.00 22.10 C ATOM 494 C TYR A 32 -11.547 -8.853 -3.557 1.00 20.35 C ATOM 495 O TYR A 32 -11.318 -7.643 -3.516 1.00 73.45 O ATOM 496 CB TYR A 32 -12.652 -8.498 -1.328 1.00 44.32 C ATOM 497 CG TYR A 32 -13.288 -9.057 -0.068 1.00 2.41 C ATOM 498 CD1 TYR A 32 -12.503 -9.482 1.001 1.00 22.50 C ATOM 499 CD2 TYR A 32 -14.670 -9.138 0.064 1.00 62.21 C ATOM 500 CE1 TYR A 32 -13.077 -9.977 2.156 1.00 60.54 C ATOM 501 CE2 TYR A 32 -15.249 -9.628 1.218 1.00 64.02 C ATOM 502 CZ TYR A 32 -14.450 -10.045 2.260 1.00 12.33 C ATOM 503 OH TYR A 32 -15.026 -10.532 3.411 1.00 12.43 O ATOM 0 H TYR A 32 -10.482 -10.255 -1.501 1.00 14.44 H new ATOM 0 HA TYR A 32 -13.153 -10.050 -2.761 1.00 22.10 H new ATOM 0 HB2 TYR A 32 -11.760 -7.937 -1.050 1.00 44.32 H new ATOM 0 HB3 TYR A 32 -13.344 -7.791 -1.785 1.00 44.32 H new ATOM 0 HD1 TYR A 32 -11.427 -9.424 0.926 1.00 22.50 H new ATOM 0 HD2 TYR A 32 -15.301 -8.812 -0.750 1.00 62.21 H new ATOM 0 HE1 TYR A 32 -12.454 -10.309 2.973 1.00 60.54 H new ATOM 0 HE2 TYR A 32 -16.324 -9.684 1.303 1.00 64.02 H new ATOM 0 HH TYR A 32 -16.002 -10.512 3.322 1.00 12.43 H new ATOM 513 N PRO A 33 -11.206 -9.592 -4.636 1.00 13.43 N ATOM 514 CA PRO A 33 -10.438 -9.037 -5.774 1.00 5.24 C ATOM 515 C PRO A 33 -11.097 -7.795 -6.411 1.00 35.21 C ATOM 516 O PRO A 33 -10.420 -6.811 -6.721 1.00 40.44 O ATOM 517 CB PRO A 33 -10.379 -10.206 -6.781 1.00 42.13 C ATOM 518 CG PRO A 33 -11.452 -11.150 -6.348 1.00 21.41 C ATOM 519 CD PRO A 33 -11.547 -11.007 -4.852 1.00 60.25 C ATOM 0 HA PRO A 33 -9.458 -8.683 -5.454 1.00 5.24 H new ATOM 0 HB2 PRO A 33 -10.549 -9.857 -7.800 1.00 42.13 H new ATOM 0 HB3 PRO A 33 -9.401 -10.688 -6.768 1.00 42.13 H new ATOM 0 HG2 PRO A 33 -12.402 -10.907 -6.825 1.00 21.41 H new ATOM 0 HG3 PRO A 33 -11.207 -12.175 -6.628 1.00 21.41 H new ATOM 0 HD2 PRO A 33 -12.546 -11.242 -4.486 1.00 60.25 H new ATOM 0 HD3 PRO A 33 -10.854 -11.673 -4.337 1.00 60.25 H new ATOM 527 N GLY A 34 -12.416 -7.841 -6.599 1.00 50.41 N ATOM 528 CA GLY A 34 -13.136 -6.715 -7.192 1.00 42.34 C ATOM 529 C GLY A 34 -13.251 -5.515 -6.253 1.00 54.14 C ATOM 530 O GLY A 34 -13.426 -4.378 -6.701 1.00 70.33 O ATOM 0 H GLY A 34 -13.003 -8.638 -6.352 1.00 50.41 H new ATOM 0 HA2 GLY A 34 -12.627 -6.407 -8.105 1.00 42.34 H new ATOM 0 HA3 GLY A 34 -14.136 -7.041 -7.479 1.00 42.34 H new ATOM 534 N TYR A 35 -13.137 -5.770 -4.950 1.00 13.44 N ATOM 535 CA TYR A 35 -13.240 -4.715 -3.933 1.00 54.44 C ATOM 536 C TYR A 35 -11.889 -4.023 -3.683 1.00 24.25 C ATOM 537 O TYR A 35 -11.772 -3.192 -2.779 1.00 35.05 O ATOM 538 CB TYR A 35 -13.773 -5.291 -2.615 1.00 60.34 C ATOM 539 CG TYR A 35 -15.201 -5.807 -2.691 1.00 35.51 C ATOM 540 CD1 TYR A 35 -15.479 -7.094 -3.145 1.00 64.42 C ATOM 541 CD2 TYR A 35 -16.270 -5.009 -2.297 1.00 73.21 C ATOM 542 CE1 TYR A 35 -16.778 -7.565 -3.205 1.00 62.30 C ATOM 543 CE2 TYR A 35 -17.569 -5.474 -2.356 1.00 12.30 C ATOM 544 CZ TYR A 35 -17.818 -6.751 -2.809 1.00 74.34 C ATOM 545 OH TYR A 35 -19.116 -7.216 -2.863 1.00 51.50 O ATOM 0 H TYR A 35 -12.972 -6.702 -4.569 1.00 13.44 H new ATOM 0 HA TYR A 35 -13.937 -3.969 -4.315 1.00 54.44 H new ATOM 0 HB2 TYR A 35 -13.121 -6.105 -2.298 1.00 60.34 H new ATOM 0 HB3 TYR A 35 -13.718 -4.520 -1.846 1.00 60.34 H new ATOM 0 HD1 TYR A 35 -14.667 -7.735 -3.455 1.00 64.42 H new ATOM 0 HD2 TYR A 35 -16.081 -4.008 -1.939 1.00 73.21 H new ATOM 0 HE1 TYR A 35 -16.977 -8.565 -3.560 1.00 62.30 H new ATOM 0 HE2 TYR A 35 -18.387 -4.839 -2.048 1.00 12.30 H new ATOM 0 HH TYR A 35 -19.727 -6.518 -2.548 1.00 51.50 H new ATOM 555 N ALA A 36 -10.875 -4.358 -4.488 1.00 44.21 N ATOM 556 CA ALA A 36 -9.552 -3.718 -4.385 1.00 31.51 C ATOM 557 C ALA A 36 -9.669 -2.185 -4.381 1.00 32.44 C ATOM 558 O ALA A 36 -8.919 -1.487 -3.691 1.00 21.44 O ATOM 559 CB ALA A 36 -8.652 -4.181 -5.526 1.00 5.22 C ATOM 0 H ALA A 36 -10.941 -5.067 -5.218 1.00 44.21 H new ATOM 0 HA ALA A 36 -9.106 -4.019 -3.437 1.00 31.51 H new ATOM 0 HB1 ALA A 36 -7.677 -3.701 -5.438 1.00 5.22 H new ATOM 0 HB2 ALA A 36 -8.529 -5.263 -5.477 1.00 5.22 H new ATOM 0 HB3 ALA A 36 -9.105 -3.911 -6.480 1.00 5.22 H new ATOM 565 N ARG A 37 -10.622 -1.674 -5.156 1.00 73.30 N ATOM 566 CA ARG A 37 -10.929 -0.243 -5.184 1.00 74.22 C ATOM 567 C ARG A 37 -11.251 0.291 -3.775 1.00 33.21 C ATOM 568 O ARG A 37 -10.757 1.348 -3.370 1.00 14.22 O ATOM 569 CB ARG A 37 -12.108 0.010 -6.138 1.00 63.23 C ATOM 570 CG ARG A 37 -13.430 -0.611 -5.678 1.00 14.30 C ATOM 571 CD ARG A 37 -14.449 -0.703 -6.808 1.00 21.40 C ATOM 572 NE ARG A 37 -14.093 -1.740 -7.779 1.00 43.55 N ATOM 573 CZ ARG A 37 -14.281 -1.642 -9.068 1.00 13.01 C ATOM 574 NH1 ARG A 37 -14.750 -0.552 -9.587 1.00 42.33 N ATOM 575 NH2 ARG A 37 -13.982 -2.635 -9.843 1.00 72.22 N ATOM 0 H ARG A 37 -11.202 -2.235 -5.780 1.00 73.30 H new ATOM 0 HA ARG A 37 -10.050 0.292 -5.543 1.00 74.22 H new ATOM 0 HB2 ARG A 37 -12.245 1.085 -6.252 1.00 63.23 H new ATOM 0 HB3 ARG A 37 -11.856 -0.386 -7.122 1.00 63.23 H new ATOM 0 HG2 ARG A 37 -13.242 -1.608 -5.279 1.00 14.30 H new ATOM 0 HG3 ARG A 37 -13.845 -0.016 -4.865 1.00 14.30 H new ATOM 0 HD2 ARG A 37 -15.434 -0.917 -6.393 1.00 21.40 H new ATOM 0 HD3 ARG A 37 -14.519 0.260 -7.314 1.00 21.40 H new ATOM 0 HE ARG A 37 -13.669 -2.597 -7.425 1.00 43.55 H new ATOM 0 HH11 ARG A 37 -14.977 0.242 -8.988 1.00 42.33 H new ATOM 0 HH12 ARG A 37 -14.893 -0.487 -10.595 1.00 42.33 H new ATOM 0 HH21 ARG A 37 -13.600 -3.494 -9.447 1.00 72.22 H new ATOM 0 HH22 ARG A 37 -14.129 -2.559 -10.849 1.00 72.22 H new ATOM 589 N HIS A 38 -12.047 -0.469 -3.022 1.00 33.41 N ATOM 590 CA HIS A 38 -12.460 -0.071 -1.673 1.00 71.24 C ATOM 591 C HIS A 38 -11.303 -0.185 -0.677 1.00 2.45 C ATOM 592 O HIS A 38 -11.236 0.571 0.292 1.00 73.54 O ATOM 593 CB HIS A 38 -13.650 -0.920 -1.205 1.00 53.15 C ATOM 594 CG HIS A 38 -14.886 -0.712 -2.025 1.00 35.54 C ATOM 595 ND1 HIS A 38 -15.580 0.470 -1.973 1.00 31.54 N ATOM 596 CD2 HIS A 38 -15.501 -1.545 -2.900 1.00 12.34 C ATOM 597 CE1 HIS A 38 -16.591 0.336 -2.807 1.00 0.23 C ATOM 598 NE2 HIS A 38 -16.588 -0.869 -3.392 1.00 41.12 N ATOM 0 H HIS A 38 -12.421 -1.369 -3.324 1.00 33.41 H new ATOM 0 HA HIS A 38 -12.765 0.975 -1.714 1.00 71.24 H new ATOM 0 HB2 HIS A 38 -13.372 -1.973 -1.241 1.00 53.15 H new ATOM 0 HB3 HIS A 38 -13.869 -0.683 -0.164 1.00 53.15 H new ATOM 0 HD2 HIS A 38 -15.194 -2.547 -3.160 1.00 12.34 H new ATOM 0 HE1 HIS A 38 -17.329 1.101 -2.995 1.00 0.23 H new ATOM 0 HE2 HIS A 38 -17.264 -1.217 -4.072 1.00 41.12 H new ATOM 606 N VAL A 39 -10.392 -1.126 -0.921 1.00 35.42 N ATOM 607 CA VAL A 39 -9.189 -1.267 -0.089 1.00 33.44 C ATOM 608 C VAL A 39 -8.381 0.039 -0.083 1.00 63.01 C ATOM 609 O VAL A 39 -8.056 0.578 0.978 1.00 54.53 O ATOM 610 CB VAL A 39 -8.288 -2.428 -0.584 1.00 63.42 C ATOM 611 CG1 VAL A 39 -7.043 -2.573 0.294 1.00 40.20 C ATOM 612 CG2 VAL A 39 -9.077 -3.734 -0.632 1.00 5.34 C ATOM 0 H VAL A 39 -10.459 -1.801 -1.683 1.00 35.42 H new ATOM 0 HA VAL A 39 -9.521 -1.494 0.924 1.00 33.44 H new ATOM 0 HB VAL A 39 -7.955 -2.192 -1.594 1.00 63.42 H new ATOM 0 HG11 VAL A 39 -6.430 -3.395 -0.077 1.00 40.20 H new ATOM 0 HG12 VAL A 39 -6.467 -1.648 0.264 1.00 40.20 H new ATOM 0 HG13 VAL A 39 -7.344 -2.780 1.321 1.00 40.20 H new ATOM 0 HG21 VAL A 39 -8.429 -4.538 -0.982 1.00 5.34 H new ATOM 0 HG22 VAL A 39 -9.446 -3.973 0.365 1.00 5.34 H new ATOM 0 HG23 VAL A 39 -9.920 -3.625 -1.314 1.00 5.34 H new ATOM 622 N GLY A 40 -8.080 0.550 -1.279 1.00 63.51 N ATOM 623 CA GLY A 40 -7.374 1.822 -1.399 1.00 23.14 C ATOM 624 C GLY A 40 -8.131 2.987 -0.768 1.00 52.22 C ATOM 625 O GLY A 40 -7.530 3.885 -0.168 1.00 14.01 O ATOM 0 H GLY A 40 -8.312 0.106 -2.168 1.00 63.51 H new ATOM 0 HA2 GLY A 40 -6.395 1.734 -0.927 1.00 23.14 H new ATOM 0 HA3 GLY A 40 -7.201 2.037 -2.454 1.00 23.14 H new ATOM 629 N LYS A 41 -9.456 2.981 -0.907 1.00 4.10 N ATOM 630 CA LYS A 41 -10.296 4.014 -0.294 1.00 55.24 C ATOM 631 C LYS A 41 -10.231 3.945 1.239 1.00 63.52 C ATOM 632 O LYS A 41 -10.102 4.967 1.910 1.00 32.34 O ATOM 633 CB LYS A 41 -11.749 3.879 -0.768 1.00 32.23 C ATOM 634 CG LYS A 41 -11.916 4.048 -2.276 1.00 1.02 C ATOM 635 CD LYS A 41 -13.379 3.987 -2.704 1.00 40.31 C ATOM 636 CE LYS A 41 -14.197 5.116 -2.081 1.00 64.32 C ATOM 637 NZ LYS A 41 -13.676 6.459 -2.451 1.00 65.45 N ATOM 0 H LYS A 41 -9.971 2.277 -1.436 1.00 4.10 H new ATOM 0 HA LYS A 41 -9.912 4.985 -0.608 1.00 55.24 H new ATOM 0 HB2 LYS A 41 -12.129 2.900 -0.476 1.00 32.23 H new ATOM 0 HB3 LYS A 41 -12.360 4.623 -0.257 1.00 32.23 H new ATOM 0 HG2 LYS A 41 -11.489 5.003 -2.582 1.00 1.02 H new ATOM 0 HG3 LYS A 41 -11.356 3.268 -2.792 1.00 1.02 H new ATOM 0 HD2 LYS A 41 -13.443 4.048 -3.790 1.00 40.31 H new ATOM 0 HD3 LYS A 41 -13.804 3.026 -2.413 1.00 40.31 H new ATOM 0 HE2 LYS A 41 -15.235 5.030 -2.402 1.00 64.32 H new ATOM 0 HE3 LYS A 41 -14.189 5.012 -0.996 1.00 64.32 H new ATOM 0 HZ1 LYS A 41 -14.361 7.188 -2.165 1.00 65.45 H new ATOM 0 HZ2 LYS A 41 -12.771 6.626 -1.967 1.00 65.45 H new ATOM 0 HZ3 LYS A 41 -13.532 6.504 -3.480 1.00 65.45 H new ATOM 651 N ALA A 42 -10.309 2.733 1.781 1.00 71.40 N ATOM 652 CA ALA A 42 -10.263 2.521 3.231 1.00 75.13 C ATOM 653 C ALA A 42 -8.918 2.960 3.829 1.00 43.21 C ATOM 654 O ALA A 42 -8.880 3.748 4.777 1.00 11.44 O ATOM 655 CB ALA A 42 -10.537 1.057 3.555 1.00 3.23 C ATOM 0 H ALA A 42 -10.405 1.876 1.237 1.00 71.40 H new ATOM 0 HA ALA A 42 -11.038 3.140 3.683 1.00 75.13 H new ATOM 0 HB1 ALA A 42 -10.501 0.910 4.634 1.00 3.23 H new ATOM 0 HB2 ALA A 42 -11.524 0.781 3.184 1.00 3.23 H new ATOM 0 HB3 ALA A 42 -9.782 0.431 3.078 1.00 3.23 H new ATOM 661 N LEU A 43 -7.822 2.458 3.260 1.00 42.23 N ATOM 662 CA LEU A 43 -6.472 2.807 3.728 1.00 31.20 C ATOM 663 C LEU A 43 -6.236 4.324 3.692 1.00 64.42 C ATOM 664 O LEU A 43 -5.558 4.878 4.556 1.00 54.21 O ATOM 665 CB LEU A 43 -5.415 2.090 2.875 1.00 11.03 C ATOM 666 CG LEU A 43 -5.473 0.553 2.914 1.00 71.22 C ATOM 667 CD1 LEU A 43 -4.385 -0.053 2.029 1.00 33.45 C ATOM 668 CD2 LEU A 43 -5.352 0.042 4.350 1.00 72.31 C ATOM 0 H LEU A 43 -7.838 1.808 2.474 1.00 42.23 H new ATOM 0 HA LEU A 43 -6.384 2.479 4.764 1.00 31.20 H new ATOM 0 HB2 LEU A 43 -5.525 2.415 1.841 1.00 11.03 H new ATOM 0 HB3 LEU A 43 -4.427 2.409 3.206 1.00 11.03 H new ATOM 0 HG LEU A 43 -6.441 0.240 2.523 1.00 71.22 H new ATOM 0 HD11 LEU A 43 -4.445 -1.141 2.072 1.00 33.45 H new ATOM 0 HD12 LEU A 43 -4.527 0.278 1.000 1.00 33.45 H new ATOM 0 HD13 LEU A 43 -3.406 0.271 2.383 1.00 33.45 H new ATOM 0 HD21 LEU A 43 -5.396 -1.047 4.354 1.00 72.31 H new ATOM 0 HD22 LEU A 43 -4.402 0.369 4.774 1.00 72.31 H new ATOM 0 HD23 LEU A 43 -6.172 0.440 4.948 1.00 72.31 H new ATOM 680 N GLY A 44 -6.824 4.993 2.700 1.00 71.12 N ATOM 681 CA GLY A 44 -6.684 6.442 2.571 1.00 40.14 C ATOM 682 C GLY A 44 -7.314 7.236 3.721 1.00 73.33 C ATOM 683 O GLY A 44 -7.143 8.451 3.801 1.00 20.53 O ATOM 0 H GLY A 44 -7.398 4.557 1.978 1.00 71.12 H new ATOM 0 HA2 GLY A 44 -5.624 6.690 2.510 1.00 40.14 H new ATOM 0 HA3 GLY A 44 -7.140 6.758 1.633 1.00 40.14 H new ATOM 687 N ASN A 45 -8.050 6.558 4.604 1.00 43.21 N ATOM 688 CA ASN A 45 -8.671 7.214 5.769 1.00 51.41 C ATOM 689 C ASN A 45 -7.781 7.134 7.021 1.00 54.30 C ATOM 690 O ASN A 45 -8.026 7.832 8.008 1.00 53.34 O ATOM 691 CB ASN A 45 -10.036 6.578 6.073 1.00 4.05 C ATOM 692 CG ASN A 45 -11.047 6.799 4.964 1.00 51.55 C ATOM 693 OD1 ASN A 45 -11.765 7.792 4.944 1.00 44.31 O ATOM 694 ND2 ASN A 45 -11.125 5.870 4.040 1.00 42.23 N ATOM 0 H ASN A 45 -8.234 5.557 4.540 1.00 43.21 H new ATOM 0 HA ASN A 45 -8.800 8.266 5.513 1.00 51.41 H new ATOM 0 HB2 ASN A 45 -9.906 5.508 6.232 1.00 4.05 H new ATOM 0 HB3 ASN A 45 -10.426 6.993 7.002 1.00 4.05 H new ATOM 0 HD21 ASN A 45 -11.797 5.963 3.278 1.00 42.23 H new ATOM 0 HD22 ASN A 45 -10.514 5.055 4.084 1.00 42.23 H new ATOM 701 N LEU A 46 -6.746 6.298 6.974 1.00 75.23 N ATOM 702 CA LEU A 46 -5.880 6.066 8.139 1.00 32.23 C ATOM 703 C LEU A 46 -4.939 7.256 8.411 1.00 43.43 C ATOM 704 O LEU A 46 -4.457 7.906 7.483 1.00 63.34 O ATOM 705 CB LEU A 46 -5.064 4.780 7.938 1.00 13.11 C ATOM 706 CG LEU A 46 -5.889 3.484 7.847 1.00 42.43 C ATOM 707 CD1 LEU A 46 -4.984 2.278 7.608 1.00 61.43 C ATOM 708 CD2 LEU A 46 -6.725 3.288 9.111 1.00 45.54 C ATOM 0 H LEU A 46 -6.483 5.767 6.144 1.00 75.23 H new ATOM 0 HA LEU A 46 -6.525 5.958 9.011 1.00 32.23 H new ATOM 0 HB2 LEU A 46 -4.476 4.881 7.026 1.00 13.11 H new ATOM 0 HB3 LEU A 46 -4.358 4.685 8.763 1.00 13.11 H new ATOM 0 HG LEU A 46 -6.566 3.573 6.998 1.00 42.43 H new ATOM 0 HD11 LEU A 46 -5.590 1.374 7.547 1.00 61.43 H new ATOM 0 HD12 LEU A 46 -4.438 2.412 6.674 1.00 61.43 H new ATOM 0 HD13 LEU A 46 -4.276 2.185 8.432 1.00 61.43 H new ATOM 0 HD21 LEU A 46 -7.301 2.366 9.027 1.00 45.54 H new ATOM 0 HD22 LEU A 46 -6.066 3.226 9.977 1.00 45.54 H new ATOM 0 HD23 LEU A 46 -7.405 4.131 9.232 1.00 45.54 H new ATOM 720 N PRO A 47 -4.674 7.561 9.702 1.00 71.31 N ATOM 721 CA PRO A 47 -3.804 8.687 10.098 1.00 52.24 C ATOM 722 C PRO A 47 -2.304 8.459 9.804 1.00 21.22 C ATOM 723 O PRO A 47 -1.891 7.389 9.345 1.00 62.12 O ATOM 724 CB PRO A 47 -4.049 8.798 11.611 1.00 43.30 C ATOM 725 CG PRO A 47 -4.432 7.419 12.029 1.00 51.45 C ATOM 726 CD PRO A 47 -5.219 6.847 10.878 1.00 74.14 C ATOM 0 HA PRO A 47 -4.043 9.588 9.532 1.00 52.24 H new ATOM 0 HB2 PRO A 47 -3.155 9.137 12.134 1.00 43.30 H new ATOM 0 HB3 PRO A 47 -4.840 9.514 11.834 1.00 43.30 H new ATOM 0 HG2 PRO A 47 -3.550 6.814 12.239 1.00 51.45 H new ATOM 0 HG3 PRO A 47 -5.029 7.438 12.941 1.00 51.45 H new ATOM 0 HD2 PRO A 47 -5.081 5.769 10.793 1.00 74.14 H new ATOM 0 HD3 PRO A 47 -6.288 7.023 10.995 1.00 74.14 H new ATOM 734 N GLU A 48 -1.497 9.480 10.103 1.00 73.21 N ATOM 735 CA GLU A 48 -0.049 9.460 9.852 1.00 1.21 C ATOM 736 C GLU A 48 0.638 8.280 10.567 1.00 33.33 C ATOM 737 O GLU A 48 1.462 7.574 9.979 1.00 51.14 O ATOM 738 CB GLU A 48 0.548 10.810 10.305 1.00 20.13 C ATOM 739 CG GLU A 48 2.037 11.014 10.004 1.00 21.21 C ATOM 740 CD GLU A 48 2.964 10.310 10.988 1.00 43.52 C ATOM 741 OE1 GLU A 48 2.766 10.455 12.212 1.00 44.04 O ATOM 742 OE2 GLU A 48 3.906 9.630 10.543 1.00 62.31 O ATOM 0 H GLU A 48 -1.827 10.347 10.527 1.00 73.21 H new ATOM 0 HA GLU A 48 0.127 9.319 8.785 1.00 1.21 H new ATOM 0 HB2 GLU A 48 -0.013 11.613 9.827 1.00 20.13 H new ATOM 0 HB3 GLU A 48 0.397 10.911 11.380 1.00 20.13 H new ATOM 0 HG2 GLU A 48 2.248 10.652 8.998 1.00 21.21 H new ATOM 0 HG3 GLU A 48 2.257 12.082 10.012 1.00 21.21 H new ATOM 749 N GLY A 49 0.294 8.072 11.835 1.00 34.23 N ATOM 750 CA GLY A 49 0.875 6.976 12.610 1.00 32.34 C ATOM 751 C GLY A 49 -0.152 5.922 13.009 1.00 21.30 C ATOM 752 O GLY A 49 -0.321 5.627 14.193 1.00 15.23 O ATOM 0 H GLY A 49 -0.379 8.643 12.346 1.00 34.23 H new ATOM 0 HA2 GLY A 49 1.665 6.504 12.026 1.00 32.34 H new ATOM 0 HA3 GLY A 49 1.341 7.380 13.509 1.00 32.34 H new ATOM 756 N SER A 50 -0.847 5.359 12.021 1.00 70.44 N ATOM 757 CA SER A 50 -1.864 4.325 12.276 1.00 45.34 C ATOM 758 C SER A 50 -1.249 3.023 12.809 1.00 73.31 C ATOM 759 O SER A 50 -0.057 2.764 12.633 1.00 34.31 O ATOM 760 CB SER A 50 -2.659 4.015 10.998 1.00 30.24 C ATOM 761 OG SER A 50 -3.595 2.965 11.216 1.00 14.11 O ATOM 0 H SER A 50 -0.729 5.597 11.036 1.00 70.44 H new ATOM 0 HA SER A 50 -2.530 4.728 13.039 1.00 45.34 H new ATOM 0 HB2 SER A 50 -3.184 4.911 10.667 1.00 30.24 H new ATOM 0 HB3 SER A 50 -1.973 3.734 10.199 1.00 30.24 H new ATOM 0 HG SER A 50 -4.448 3.344 11.514 1.00 14.11 H new ATOM 767 N LYS A 51 -2.077 2.204 13.459 1.00 22.25 N ATOM 768 CA LYS A 51 -1.651 0.887 13.947 1.00 3.20 C ATOM 769 C LYS A 51 -1.446 -0.097 12.782 1.00 33.50 C ATOM 770 O LYS A 51 -0.904 -1.190 12.958 1.00 51.41 O ATOM 771 CB LYS A 51 -2.686 0.332 14.940 1.00 0.23 C ATOM 772 CG LYS A 51 -4.065 0.075 14.327 1.00 51.14 C ATOM 773 CD LYS A 51 -5.127 -0.192 15.396 1.00 23.04 C ATOM 774 CE LYS A 51 -4.786 -1.398 16.268 1.00 71.42 C ATOM 775 NZ LYS A 51 -4.824 -2.677 15.509 1.00 12.45 N ATOM 0 H LYS A 51 -3.051 2.429 13.661 1.00 22.25 H new ATOM 0 HA LYS A 51 -0.696 1.006 14.458 1.00 3.20 H new ATOM 0 HB2 LYS A 51 -2.307 -0.600 15.360 1.00 0.23 H new ATOM 0 HB3 LYS A 51 -2.793 1.034 15.767 1.00 0.23 H new ATOM 0 HG2 LYS A 51 -4.362 0.936 13.728 1.00 51.14 H new ATOM 0 HG3 LYS A 51 -4.008 -0.778 13.651 1.00 51.14 H new ATOM 0 HD2 LYS A 51 -5.233 0.690 16.027 1.00 23.04 H new ATOM 0 HD3 LYS A 51 -6.090 -0.357 14.914 1.00 23.04 H new ATOM 0 HE2 LYS A 51 -3.793 -1.263 16.697 1.00 71.42 H new ATOM 0 HE3 LYS A 51 -5.488 -1.451 17.100 1.00 71.42 H new ATOM 0 HZ1 LYS A 51 -4.619 -3.468 16.152 1.00 12.45 H new ATOM 0 HZ2 LYS A 51 -5.768 -2.805 15.092 1.00 12.45 H new ATOM 0 HZ3 LYS A 51 -4.112 -2.653 14.752 1.00 12.45 H new ATOM 789 N LEU A 52 -1.896 0.306 11.596 1.00 75.42 N ATOM 790 CA LEU A 52 -1.734 -0.483 10.371 1.00 63.22 C ATOM 791 C LEU A 52 -0.875 0.278 9.342 1.00 64.23 C ATOM 792 O LEU A 52 -1.198 1.412 8.980 1.00 65.35 O ATOM 793 CB LEU A 52 -3.112 -0.777 9.757 1.00 22.34 C ATOM 794 CG LEU A 52 -3.090 -1.574 8.442 1.00 21.40 C ATOM 795 CD1 LEU A 52 -2.661 -3.015 8.689 1.00 14.13 C ATOM 796 CD2 LEU A 52 -4.451 -1.519 7.753 1.00 52.12 C ATOM 0 H LEU A 52 -2.385 1.190 11.454 1.00 75.42 H new ATOM 0 HA LEU A 52 -1.234 -1.417 10.628 1.00 63.22 H new ATOM 0 HB2 LEU A 52 -3.706 -1.328 10.486 1.00 22.34 H new ATOM 0 HB3 LEU A 52 -3.622 0.170 9.580 1.00 22.34 H new ATOM 0 HG LEU A 52 -2.358 -1.115 7.778 1.00 21.40 H new ATOM 0 HD11 LEU A 52 -2.653 -3.559 7.745 1.00 14.13 H new ATOM 0 HD12 LEU A 52 -1.662 -3.028 9.124 1.00 14.13 H new ATOM 0 HD13 LEU A 52 -3.361 -3.490 9.376 1.00 14.13 H new ATOM 0 HD21 LEU A 52 -4.412 -2.089 6.825 1.00 52.12 H new ATOM 0 HD22 LEU A 52 -5.209 -1.946 8.410 1.00 52.12 H new ATOM 0 HD23 LEU A 52 -4.705 -0.482 7.531 1.00 52.12 H new ATOM 808 N PRO A 53 0.232 -0.318 8.852 1.00 4.44 N ATOM 809 CA PRO A 53 1.048 0.322 7.811 1.00 32.51 C ATOM 810 C PRO A 53 0.350 0.310 6.438 1.00 41.04 C ATOM 811 O PRO A 53 0.444 -0.657 5.682 1.00 71.35 O ATOM 812 CB PRO A 53 2.327 -0.530 7.794 1.00 65.12 C ATOM 813 CG PRO A 53 1.891 -1.876 8.281 1.00 15.44 C ATOM 814 CD PRO A 53 0.780 -1.625 9.271 1.00 24.44 C ATOM 0 HA PRO A 53 1.234 1.376 8.016 1.00 32.51 H new ATOM 0 HB2 PRO A 53 2.750 -0.589 6.791 1.00 65.12 H new ATOM 0 HB3 PRO A 53 3.095 -0.105 8.440 1.00 65.12 H new ATOM 0 HG2 PRO A 53 1.543 -2.495 7.454 1.00 15.44 H new ATOM 0 HG3 PRO A 53 2.719 -2.407 8.751 1.00 15.44 H new ATOM 0 HD2 PRO A 53 0.023 -2.408 9.232 1.00 24.44 H new ATOM 0 HD3 PRO A 53 1.154 -1.594 10.294 1.00 24.44 H new ATOM 822 N TRP A 54 -0.336 1.406 6.119 1.00 45.22 N ATOM 823 CA TRP A 54 -1.093 1.522 4.862 1.00 70.01 C ATOM 824 C TRP A 54 -0.197 1.948 3.692 1.00 61.32 C ATOM 825 O TRP A 54 -0.407 1.544 2.549 1.00 60.43 O ATOM 826 CB TRP A 54 -2.249 2.521 5.039 1.00 11.43 C ATOM 827 CG TRP A 54 -1.825 3.880 5.537 1.00 53.40 C ATOM 828 CD1 TRP A 54 -1.724 4.288 6.841 1.00 0.31 C ATOM 829 CD2 TRP A 54 -1.456 5.012 4.737 1.00 74.31 C ATOM 830 NE1 TRP A 54 -1.314 5.597 6.896 1.00 12.50 N ATOM 831 CE2 TRP A 54 -1.143 6.065 5.618 1.00 23.11 C ATOM 832 CE3 TRP A 54 -1.360 5.235 3.361 1.00 44.42 C ATOM 833 CZ2 TRP A 54 -0.738 7.320 5.164 1.00 44.23 C ATOM 834 CZ3 TRP A 54 -0.960 6.479 2.914 1.00 34.24 C ATOM 835 CH2 TRP A 54 -0.652 7.506 3.811 1.00 21.32 C ATOM 0 H TRP A 54 -0.387 2.233 6.713 1.00 45.22 H new ATOM 0 HA TRP A 54 -1.495 0.538 4.623 1.00 70.01 H new ATOM 0 HB2 TRP A 54 -2.760 2.640 4.084 1.00 11.43 H new ATOM 0 HB3 TRP A 54 -2.973 2.101 5.737 1.00 11.43 H new ATOM 0 HD1 TRP A 54 -1.936 3.670 7.701 1.00 0.31 H new ATOM 0 HE1 TRP A 54 -1.161 6.135 7.749 1.00 12.50 H new ATOM 0 HE3 TRP A 54 -1.595 4.448 2.659 1.00 44.42 H new ATOM 0 HZ2 TRP A 54 -0.501 8.116 5.855 1.00 44.23 H new ATOM 0 HZ3 TRP A 54 -0.884 6.662 1.852 1.00 34.24 H new ATOM 0 HH2 TRP A 54 -0.340 8.466 3.428 1.00 21.32 H new ATOM 846 N PHE A 55 0.812 2.749 4.000 1.00 31.34 N ATOM 847 CA PHE A 55 1.724 3.298 2.988 1.00 42.11 C ATOM 848 C PHE A 55 2.415 2.212 2.139 1.00 41.02 C ATOM 849 O PHE A 55 2.808 2.470 1.004 1.00 11.45 O ATOM 850 CB PHE A 55 2.770 4.197 3.662 1.00 65.12 C ATOM 851 CG PHE A 55 3.405 3.591 4.894 1.00 51.04 C ATOM 852 CD1 PHE A 55 4.556 2.823 4.799 1.00 64.13 C ATOM 853 CD2 PHE A 55 2.848 3.801 6.150 1.00 23.13 C ATOM 854 CE1 PHE A 55 5.136 2.276 5.928 1.00 11.43 C ATOM 855 CE2 PHE A 55 3.424 3.254 7.281 1.00 13.24 C ATOM 856 CZ PHE A 55 4.571 2.491 7.169 1.00 62.43 C ATOM 0 H PHE A 55 1.028 3.041 4.953 1.00 31.34 H new ATOM 0 HA PHE A 55 1.117 3.886 2.299 1.00 42.11 H new ATOM 0 HB2 PHE A 55 3.553 4.429 2.940 1.00 65.12 H new ATOM 0 HB3 PHE A 55 2.299 5.141 3.936 1.00 65.12 H new ATOM 0 HD1 PHE A 55 5.004 2.650 3.832 1.00 64.13 H new ATOM 0 HD2 PHE A 55 1.954 4.399 6.243 1.00 23.13 H new ATOM 0 HE1 PHE A 55 6.032 1.680 5.839 1.00 11.43 H new ATOM 0 HE2 PHE A 55 2.979 3.422 8.250 1.00 13.24 H new ATOM 0 HZ PHE A 55 5.025 2.064 8.051 1.00 62.43 H new ATOM 866 N ARG A 56 2.545 0.998 2.679 1.00 60.33 N ATOM 867 CA ARG A 56 3.214 -0.100 1.962 1.00 42.44 C ATOM 868 C ARG A 56 2.314 -0.734 0.887 1.00 61.03 C ATOM 869 O ARG A 56 2.708 -1.695 0.231 1.00 21.31 O ATOM 870 CB ARG A 56 3.678 -1.183 2.950 1.00 22.44 C ATOM 871 CG ARG A 56 4.730 -0.700 3.944 1.00 24.33 C ATOM 872 CD ARG A 56 5.207 -1.825 4.858 1.00 23.45 C ATOM 873 NE ARG A 56 6.124 -1.338 5.884 1.00 31.31 N ATOM 874 CZ ARG A 56 6.270 -1.876 7.063 1.00 51.22 C ATOM 875 NH1 ARG A 56 5.646 -2.966 7.382 1.00 72.34 N ATOM 876 NH2 ARG A 56 7.067 -1.325 7.913 1.00 51.24 N ATOM 0 H ARG A 56 2.199 0.747 3.605 1.00 60.33 H new ATOM 0 HA ARG A 56 4.077 0.334 1.458 1.00 42.44 H new ATOM 0 HB2 ARG A 56 2.814 -1.553 3.501 1.00 22.44 H new ATOM 0 HB3 ARG A 56 4.082 -2.025 2.388 1.00 22.44 H new ATOM 0 HG2 ARG A 56 5.581 -0.288 3.401 1.00 24.33 H new ATOM 0 HG3 ARG A 56 4.316 0.107 4.548 1.00 24.33 H new ATOM 0 HD2 ARG A 56 4.347 -2.296 5.333 1.00 23.45 H new ATOM 0 HD3 ARG A 56 5.702 -2.592 4.262 1.00 23.45 H new ATOM 0 HE ARG A 56 6.691 -0.519 5.663 1.00 31.31 H new ATOM 0 HH11 ARG A 56 5.029 -3.417 6.706 1.00 72.34 H new ATOM 0 HH12 ARG A 56 5.772 -3.373 8.309 1.00 72.34 H new ATOM 0 HH21 ARG A 56 7.575 -0.477 7.660 1.00 51.24 H new ATOM 0 HH22 ARG A 56 7.189 -1.736 8.838 1.00 51.24 H new ATOM 890 N VAL A 57 1.106 -0.203 0.705 1.00 23.41 N ATOM 891 CA VAL A 57 0.181 -0.738 -0.302 1.00 14.24 C ATOM 892 C VAL A 57 -0.105 0.293 -1.409 1.00 52.33 C ATOM 893 O VAL A 57 -0.794 1.292 -1.190 1.00 23.41 O ATOM 894 CB VAL A 57 -1.156 -1.191 0.339 1.00 30.51 C ATOM 895 CG1 VAL A 57 -2.014 -1.948 -0.672 1.00 24.12 C ATOM 896 CG2 VAL A 57 -0.902 -2.044 1.583 1.00 10.31 C ATOM 0 H VAL A 57 0.744 0.590 1.235 1.00 23.41 H new ATOM 0 HA VAL A 57 0.670 -1.605 -0.746 1.00 14.24 H new ATOM 0 HB VAL A 57 -1.702 -0.299 0.646 1.00 30.51 H new ATOM 0 HG11 VAL A 57 -2.947 -2.256 -0.199 1.00 24.12 H new ATOM 0 HG12 VAL A 57 -2.234 -1.300 -1.520 1.00 24.12 H new ATOM 0 HG13 VAL A 57 -1.475 -2.830 -1.019 1.00 24.12 H new ATOM 0 HG21 VAL A 57 -1.855 -2.350 2.015 1.00 10.31 H new ATOM 0 HG22 VAL A 57 -0.328 -2.929 1.307 1.00 10.31 H new ATOM 0 HG23 VAL A 57 -0.342 -1.462 2.315 1.00 10.31 H new ATOM 906 N ILE A 58 0.446 0.048 -2.596 1.00 52.31 N ATOM 907 CA ILE A 58 0.241 0.926 -3.757 1.00 11.13 C ATOM 908 C ILE A 58 -0.659 0.257 -4.814 1.00 43.53 C ATOM 909 O ILE A 58 -1.276 -0.777 -4.556 1.00 13.30 O ATOM 910 CB ILE A 58 1.591 1.341 -4.398 1.00 1.34 C ATOM 911 CG1 ILE A 58 2.383 0.107 -4.863 1.00 65.55 C ATOM 912 CG2 ILE A 58 2.416 2.168 -3.413 1.00 3.20 C ATOM 913 CD1 ILE A 58 3.695 0.445 -5.546 1.00 5.45 C ATOM 0 H ILE A 58 1.043 -0.757 -2.784 1.00 52.31 H new ATOM 0 HA ILE A 58 -0.259 1.824 -3.393 1.00 11.13 H new ATOM 0 HB ILE A 58 1.377 1.954 -5.274 1.00 1.34 H new ATOM 0 HG12 ILE A 58 2.586 -0.529 -4.001 1.00 65.55 H new ATOM 0 HG13 ILE A 58 1.765 -0.473 -5.549 1.00 65.55 H new ATOM 0 HG21 ILE A 58 3.360 2.452 -3.878 1.00 3.20 H new ATOM 0 HG22 ILE A 58 1.862 3.066 -3.139 1.00 3.20 H new ATOM 0 HG23 ILE A 58 2.615 1.577 -2.519 1.00 3.20 H new ATOM 0 HD11 ILE A 58 4.197 -0.475 -5.846 1.00 5.45 H new ATOM 0 HD12 ILE A 58 3.500 1.055 -6.428 1.00 5.45 H new ATOM 0 HD13 ILE A 58 4.333 0.998 -4.856 1.00 5.45 H new ATOM 925 N ASN A 59 -0.753 0.855 -6.002 1.00 31.15 N ATOM 926 CA ASN A 59 -1.656 0.346 -7.046 1.00 53.43 C ATOM 927 C ASN A 59 -0.957 -0.621 -8.017 1.00 64.34 C ATOM 928 O ASN A 59 0.263 -0.782 -7.993 1.00 34.22 O ATOM 929 CB ASN A 59 -2.295 1.513 -7.812 1.00 25.15 C ATOM 930 CG ASN A 59 -1.285 2.425 -8.492 1.00 62.14 C ATOM 931 OD1 ASN A 59 -0.246 1.986 -8.971 1.00 42.13 O ATOM 932 ND2 ASN A 59 -1.578 3.709 -8.526 1.00 4.33 N ATOM 0 H ASN A 59 -0.222 1.685 -6.268 1.00 31.15 H new ATOM 0 HA ASN A 59 -2.436 -0.225 -6.543 1.00 53.43 H new ATOM 0 HB2 ASN A 59 -2.974 1.113 -8.565 1.00 25.15 H new ATOM 0 HB3 ASN A 59 -2.897 2.103 -7.121 1.00 25.15 H new ATOM 0 HD21 ASN A 59 -0.932 4.368 -8.960 1.00 4.33 H new ATOM 0 HD22 ASN A 59 -2.451 4.044 -8.119 1.00 4.33 H new ATOM 939 N SER A 60 -1.752 -1.252 -8.884 1.00 73.15 N ATOM 940 CA SER A 60 -1.234 -2.218 -9.869 1.00 51.13 C ATOM 941 C SER A 60 -0.450 -1.521 -10.990 1.00 73.40 C ATOM 942 O SER A 60 0.188 -2.177 -11.814 1.00 44.21 O ATOM 943 CB SER A 60 -2.392 -3.032 -10.473 1.00 4.41 C ATOM 944 OG SER A 60 -1.936 -3.975 -11.438 1.00 73.35 O ATOM 0 H SER A 60 -2.762 -1.114 -8.928 1.00 73.15 H new ATOM 0 HA SER A 60 -0.551 -2.887 -9.346 1.00 51.13 H new ATOM 0 HB2 SER A 60 -2.921 -3.556 -9.677 1.00 4.41 H new ATOM 0 HB3 SER A 60 -3.107 -2.354 -10.939 1.00 4.41 H new ATOM 0 HG SER A 60 -1.079 -3.676 -11.808 1.00 73.35 H new ATOM 950 N GLN A 61 -0.494 -0.192 -11.007 1.00 5.05 N ATOM 951 CA GLN A 61 0.186 0.602 -12.036 1.00 64.21 C ATOM 952 C GLN A 61 1.663 0.843 -11.678 1.00 5.04 C ATOM 953 O GLN A 61 2.422 1.395 -12.478 1.00 70.34 O ATOM 954 CB GLN A 61 -0.523 1.954 -12.199 1.00 71.42 C ATOM 955 CG GLN A 61 -2.033 1.847 -12.384 1.00 74.00 C ATOM 956 CD GLN A 61 -2.705 3.206 -12.503 1.00 4.01 C ATOM 957 OE1 GLN A 61 -3.110 3.802 -11.509 1.00 34.33 O ATOM 958 NE2 GLN A 61 -2.830 3.706 -13.716 1.00 25.40 N ATOM 0 H GLN A 61 -0.996 0.365 -10.316 1.00 5.05 H new ATOM 0 HA GLN A 61 0.147 0.042 -12.970 1.00 64.21 H new ATOM 0 HB2 GLN A 61 -0.318 2.568 -11.322 1.00 71.42 H new ATOM 0 HB3 GLN A 61 -0.098 2.474 -13.058 1.00 71.42 H new ATOM 0 HG2 GLN A 61 -2.245 1.261 -13.278 1.00 74.00 H new ATOM 0 HG3 GLN A 61 -2.461 1.307 -11.540 1.00 74.00 H new ATOM 0 HE21 GLN A 61 -2.482 3.185 -14.521 1.00 25.40 H new ATOM 0 HE22 GLN A 61 -3.274 4.614 -13.850 1.00 25.40 H new ATOM 967 N GLY A 62 2.062 0.432 -10.474 1.00 34.21 N ATOM 968 CA GLY A 62 3.411 0.712 -9.993 1.00 45.24 C ATOM 969 C GLY A 62 3.571 2.157 -9.549 1.00 45.15 C ATOM 970 O GLY A 62 4.647 2.743 -9.670 1.00 22.33 O ATOM 0 H GLY A 62 1.476 -0.090 -9.822 1.00 34.21 H new ATOM 0 HA2 GLY A 62 3.643 0.049 -9.159 1.00 45.24 H new ATOM 0 HA3 GLY A 62 4.130 0.494 -10.783 1.00 45.24 H new ATOM 974 N LYS A 63 2.488 2.733 -9.033 1.00 53.14 N ATOM 975 CA LYS A 63 2.466 4.140 -8.632 1.00 14.33 C ATOM 976 C LYS A 63 1.695 4.353 -7.323 1.00 14.11 C ATOM 977 O LYS A 63 1.071 3.436 -6.786 1.00 53.34 O ATOM 978 CB LYS A 63 1.820 4.996 -9.736 1.00 40.52 C ATOM 979 CG LYS A 63 2.621 5.058 -11.035 1.00 15.52 C ATOM 980 CD LYS A 63 1.964 5.958 -12.086 1.00 3.32 C ATOM 981 CE LYS A 63 1.982 7.437 -11.693 1.00 21.34 C ATOM 982 NZ LYS A 63 1.039 7.754 -10.583 1.00 25.24 N ATOM 0 H LYS A 63 1.606 2.243 -8.881 1.00 53.14 H new ATOM 0 HA LYS A 63 3.501 4.444 -8.475 1.00 14.33 H new ATOM 0 HB2 LYS A 63 0.828 4.599 -9.953 1.00 40.52 H new ATOM 0 HB3 LYS A 63 1.682 6.010 -9.359 1.00 40.52 H new ATOM 0 HG2 LYS A 63 3.625 5.426 -10.822 1.00 15.52 H new ATOM 0 HG3 LYS A 63 2.730 4.052 -11.440 1.00 15.52 H new ATOM 0 HD2 LYS A 63 2.479 5.833 -13.038 1.00 3.32 H new ATOM 0 HD3 LYS A 63 0.933 5.639 -12.238 1.00 3.32 H new ATOM 0 HE2 LYS A 63 2.993 7.716 -11.395 1.00 21.34 H new ATOM 0 HE3 LYS A 63 1.727 8.042 -12.563 1.00 21.34 H new ATOM 0 HZ1 LYS A 63 0.575 8.665 -10.772 1.00 25.24 H new ATOM 0 HZ2 LYS A 63 0.319 7.006 -10.515 1.00 25.24 H new ATOM 0 HZ3 LYS A 63 1.564 7.812 -9.687 1.00 25.24 H new ATOM 996 N ILE A 64 1.750 5.581 -6.823 1.00 31.41 N ATOM 997 CA ILE A 64 0.962 5.994 -5.660 1.00 21.24 C ATOM 998 C ILE A 64 -0.435 6.466 -6.097 1.00 51.22 C ATOM 999 O ILE A 64 -0.566 7.447 -6.829 1.00 43.43 O ATOM 1000 CB ILE A 64 1.680 7.133 -4.887 1.00 34.22 C ATOM 1001 CG1 ILE A 64 3.044 6.646 -4.364 1.00 3.35 C ATOM 1002 CG2 ILE A 64 0.813 7.651 -3.739 1.00 52.01 C ATOM 1003 CD1 ILE A 64 3.841 7.710 -3.637 1.00 53.33 C ATOM 0 H ILE A 64 2.339 6.319 -7.208 1.00 31.41 H new ATOM 0 HA ILE A 64 0.857 5.132 -5.001 1.00 21.24 H new ATOM 0 HB ILE A 64 1.847 7.960 -5.577 1.00 34.22 H new ATOM 0 HG12 ILE A 64 2.884 5.803 -3.691 1.00 3.35 H new ATOM 0 HG13 ILE A 64 3.632 6.276 -5.204 1.00 3.35 H new ATOM 0 HG21 ILE A 64 1.341 8.448 -3.215 1.00 52.01 H new ATOM 0 HG22 ILE A 64 -0.125 8.038 -4.137 1.00 52.01 H new ATOM 0 HG23 ILE A 64 0.604 6.837 -3.045 1.00 52.01 H new ATOM 0 HD11 ILE A 64 4.788 7.288 -3.300 1.00 53.33 H new ATOM 0 HD12 ILE A 64 4.035 8.544 -4.312 1.00 53.33 H new ATOM 0 HD13 ILE A 64 3.274 8.064 -2.776 1.00 53.33 H new ATOM 1015 N SER A 65 -1.475 5.752 -5.665 1.00 54.24 N ATOM 1016 CA SER A 65 -2.859 6.107 -6.023 1.00 71.11 C ATOM 1017 C SER A 65 -3.330 7.373 -5.308 1.00 21.14 C ATOM 1018 O SER A 65 -4.143 8.129 -5.844 1.00 41.13 O ATOM 1019 CB SER A 65 -3.826 4.960 -5.702 1.00 53.44 C ATOM 1020 OG SER A 65 -3.611 3.853 -6.557 1.00 52.43 O ATOM 0 H SER A 65 -1.392 4.928 -5.070 1.00 54.24 H new ATOM 0 HA SER A 65 -2.860 6.294 -7.097 1.00 71.11 H new ATOM 0 HB2 SER A 65 -3.697 4.652 -4.665 1.00 53.44 H new ATOM 0 HB3 SER A 65 -4.854 5.308 -5.805 1.00 53.44 H new ATOM 0 HG SER A 65 -4.344 3.211 -6.452 1.00 52.43 H new ATOM 1026 N LEU A 66 -2.830 7.591 -4.100 1.00 54.25 N ATOM 1027 CA LEU A 66 -3.223 8.753 -3.304 1.00 53.20 C ATOM 1028 C LEU A 66 -2.620 10.049 -3.861 1.00 51.04 C ATOM 1029 O LEU A 66 -1.407 10.179 -3.987 1.00 42.54 O ATOM 1030 CB LEU A 66 -2.798 8.555 -1.844 1.00 4.15 C ATOM 1031 CG LEU A 66 -3.434 7.349 -1.127 1.00 22.21 C ATOM 1032 CD1 LEU A 66 -2.980 7.285 0.328 1.00 21.43 C ATOM 1033 CD2 LEU A 66 -4.959 7.404 -1.213 1.00 63.54 C ATOM 0 H LEU A 66 -2.151 6.980 -3.646 1.00 54.25 H new ATOM 0 HA LEU A 66 -4.308 8.844 -3.356 1.00 53.20 H new ATOM 0 HB2 LEU A 66 -1.714 8.445 -1.811 1.00 4.15 H new ATOM 0 HB3 LEU A 66 -3.044 9.459 -1.286 1.00 4.15 H new ATOM 0 HG LEU A 66 -3.099 6.443 -1.631 1.00 22.21 H new ATOM 0 HD11 LEU A 66 -3.441 6.426 0.816 1.00 21.43 H new ATOM 0 HD12 LEU A 66 -1.895 7.185 0.367 1.00 21.43 H new ATOM 0 HD13 LEU A 66 -3.279 8.198 0.843 1.00 21.43 H new ATOM 0 HD21 LEU A 66 -5.384 6.542 -0.699 1.00 63.54 H new ATOM 0 HD22 LEU A 66 -5.317 8.319 -0.742 1.00 63.54 H new ATOM 0 HD23 LEU A 66 -5.265 7.390 -2.259 1.00 63.54 H new ATOM 1045 N LYS A 67 -3.480 11.004 -4.203 1.00 33.41 N ATOM 1046 CA LYS A 67 -3.033 12.308 -4.705 1.00 53.42 C ATOM 1047 C LYS A 67 -3.419 13.434 -3.735 1.00 33.41 C ATOM 1048 O LYS A 67 -4.325 13.282 -2.914 1.00 35.31 O ATOM 1049 CB LYS A 67 -3.607 12.562 -6.105 1.00 21.32 C ATOM 1050 CG LYS A 67 -5.133 12.531 -6.173 1.00 54.24 C ATOM 1051 CD LYS A 67 -5.644 12.524 -7.613 1.00 12.10 C ATOM 1052 CE LYS A 67 -5.212 11.264 -8.362 1.00 42.44 C ATOM 1053 NZ LYS A 67 -5.768 10.025 -7.746 1.00 14.31 N ATOM 0 H LYS A 67 -4.493 10.903 -4.143 1.00 33.41 H new ATOM 0 HA LYS A 67 -1.945 12.296 -4.777 1.00 53.42 H new ATOM 0 HB2 LYS A 67 -3.259 13.533 -6.457 1.00 21.32 H new ATOM 0 HB3 LYS A 67 -3.209 11.813 -6.790 1.00 21.32 H new ATOM 0 HG2 LYS A 67 -5.501 11.646 -5.654 1.00 54.24 H new ATOM 0 HG3 LYS A 67 -5.536 13.398 -5.650 1.00 54.24 H new ATOM 0 HD2 LYS A 67 -6.732 12.592 -7.613 1.00 12.10 H new ATOM 0 HD3 LYS A 67 -5.270 13.404 -8.136 1.00 12.10 H new ATOM 0 HE2 LYS A 67 -5.539 11.330 -9.400 1.00 42.44 H new ATOM 0 HE3 LYS A 67 -4.124 11.205 -8.374 1.00 42.44 H new ATOM 0 HZ1 LYS A 67 -6.063 9.367 -8.495 1.00 14.31 H new ATOM 0 HZ2 LYS A 67 -5.040 9.574 -7.156 1.00 14.31 H new ATOM 0 HZ3 LYS A 67 -6.589 10.269 -7.156 1.00 14.31 H new ATOM 1067 N GLY A 68 -2.735 14.568 -3.841 1.00 54.02 N ATOM 1068 CA GLY A 68 -2.900 15.638 -2.863 1.00 22.34 C ATOM 1069 C GLY A 68 -1.884 15.529 -1.732 1.00 71.44 C ATOM 1070 O GLY A 68 -0.731 15.166 -1.970 1.00 45.35 O ATOM 0 H GLY A 68 -2.068 14.769 -4.586 1.00 54.02 H new ATOM 0 HA2 GLY A 68 -2.792 16.603 -3.358 1.00 22.34 H new ATOM 0 HA3 GLY A 68 -3.909 15.602 -2.451 1.00 22.34 H new ATOM 1074 N ARG A 69 -2.297 15.822 -0.501 1.00 61.42 N ATOM 1075 CA ARG A 69 -1.399 15.686 0.656 1.00 64.34 C ATOM 1076 C ARG A 69 -1.163 14.205 0.992 1.00 73.01 C ATOM 1077 O ARG A 69 -0.165 13.841 1.613 1.00 52.42 O ATOM 1078 CB ARG A 69 -1.969 16.419 1.880 1.00 4.15 C ATOM 1079 CG ARG A 69 -2.213 17.904 1.643 1.00 61.21 C ATOM 1080 CD ARG A 69 -2.639 18.621 2.923 1.00 43.35 C ATOM 1081 NE ARG A 69 -2.950 20.030 2.682 1.00 33.22 N ATOM 1082 CZ ARG A 69 -2.230 21.031 3.119 1.00 40.41 C ATOM 1083 NH1 ARG A 69 -1.149 20.824 3.799 1.00 73.15 N ATOM 1084 NH2 ARG A 69 -2.596 22.245 2.863 1.00 72.32 N ATOM 0 H ARG A 69 -3.235 16.152 -0.274 1.00 61.42 H new ATOM 0 HA ARG A 69 -0.444 16.141 0.392 1.00 64.34 H new ATOM 0 HB2 ARG A 69 -2.907 15.947 2.171 1.00 4.15 H new ATOM 0 HB3 ARG A 69 -1.280 16.302 2.717 1.00 4.15 H new ATOM 0 HG2 ARG A 69 -1.305 18.364 1.254 1.00 61.21 H new ATOM 0 HG3 ARG A 69 -2.984 18.029 0.883 1.00 61.21 H new ATOM 0 HD2 ARG A 69 -3.513 18.123 3.344 1.00 43.35 H new ATOM 0 HD3 ARG A 69 -1.842 18.547 3.663 1.00 43.35 H new ATOM 0 HE ARG A 69 -3.784 20.246 2.137 1.00 33.22 H new ATOM 0 HH11 ARG A 69 -0.848 19.870 4.001 1.00 73.15 H new ATOM 0 HH12 ARG A 69 -0.598 21.614 4.133 1.00 73.15 H new ATOM 0 HH21 ARG A 69 -3.443 22.419 2.322 1.00 72.32 H new ATOM 0 HH22 ARG A 69 -2.037 23.028 3.202 1.00 72.32 H new ATOM 1098 N ASP A 70 -2.094 13.354 0.566 1.00 23.50 N ATOM 1099 CA ASP A 70 -1.980 11.907 0.775 1.00 53.35 C ATOM 1100 C ASP A 70 -0.826 11.306 -0.047 1.00 0.13 C ATOM 1101 O ASP A 70 -0.287 10.251 0.300 1.00 64.10 O ATOM 1102 CB ASP A 70 -3.302 11.227 0.417 1.00 35.13 C ATOM 1103 CG ASP A 70 -4.452 11.754 1.254 1.00 4.40 C ATOM 1104 OD1 ASP A 70 -4.570 11.355 2.429 1.00 22.14 O ATOM 1105 OD2 ASP A 70 -5.231 12.589 0.748 1.00 4.43 O ATOM 0 H ASP A 70 -2.939 13.640 0.072 1.00 23.50 H new ATOM 0 HA ASP A 70 -1.758 11.732 1.828 1.00 53.35 H new ATOM 0 HB2 ASP A 70 -3.518 11.387 -0.639 1.00 35.13 H new ATOM 0 HB3 ASP A 70 -3.209 10.151 0.564 1.00 35.13 H new ATOM 1110 N LEU A 71 -0.441 11.991 -1.125 1.00 41.23 N ATOM 1111 CA LEU A 71 0.655 11.531 -1.987 1.00 73.15 C ATOM 1112 C LEU A 71 1.992 11.595 -1.235 1.00 1.24 C ATOM 1113 O LEU A 71 2.699 10.591 -1.114 1.00 22.14 O ATOM 1114 CB LEU A 71 0.705 12.384 -3.275 1.00 5.54 C ATOM 1115 CG LEU A 71 1.472 11.776 -4.475 1.00 21.11 C ATOM 1116 CD1 LEU A 71 1.170 12.557 -5.752 1.00 30.42 C ATOM 1117 CD2 LEU A 71 2.979 11.743 -4.224 1.00 15.31 C ATOM 0 H LEU A 71 -0.870 12.867 -1.424 1.00 41.23 H new ATOM 0 HA LEU A 71 0.476 10.493 -2.266 1.00 73.15 H new ATOM 0 HB2 LEU A 71 -0.319 12.586 -3.591 1.00 5.54 H new ATOM 0 HB3 LEU A 71 1.159 13.345 -3.031 1.00 5.54 H new ATOM 0 HG LEU A 71 1.131 10.748 -4.595 1.00 21.11 H new ATOM 0 HD11 LEU A 71 1.717 12.117 -6.586 1.00 30.42 H new ATOM 0 HD12 LEU A 71 0.100 12.517 -5.958 1.00 30.42 H new ATOM 0 HD13 LEU A 71 1.477 13.595 -5.625 1.00 30.42 H new ATOM 0 HD21 LEU A 71 3.482 11.310 -5.088 1.00 15.31 H new ATOM 0 HD22 LEU A 71 3.343 12.758 -4.063 1.00 15.31 H new ATOM 0 HD23 LEU A 71 3.188 11.138 -3.342 1.00 15.31 H new ATOM 1129 N ASP A 72 2.333 12.780 -0.725 1.00 54.24 N ATOM 1130 CA ASP A 72 3.573 12.964 0.035 1.00 24.32 C ATOM 1131 C ASP A 72 3.561 12.165 1.351 1.00 22.54 C ATOM 1132 O ASP A 72 4.616 11.769 1.850 1.00 62.21 O ATOM 1133 CB ASP A 72 3.846 14.458 0.287 1.00 25.21 C ATOM 1134 CG ASP A 72 2.592 15.256 0.595 1.00 71.23 C ATOM 1135 OD1 ASP A 72 1.913 15.690 -0.364 1.00 73.24 O ATOM 1136 OD2 ASP A 72 2.288 15.467 1.785 1.00 62.32 O ATOM 0 H ASP A 72 1.770 13.625 -0.823 1.00 54.24 H new ATOM 0 HA ASP A 72 4.390 12.570 -0.569 1.00 24.32 H new ATOM 0 HB2 ASP A 72 4.544 14.557 1.118 1.00 25.21 H new ATOM 0 HB3 ASP A 72 4.333 14.884 -0.590 1.00 25.21 H new ATOM 1141 N ARG A 73 2.370 11.922 1.906 1.00 21.11 N ATOM 1142 CA ARG A 73 2.228 11.036 3.073 1.00 2.23 C ATOM 1143 C ARG A 73 2.789 9.633 2.779 1.00 41.54 C ATOM 1144 O ARG A 73 3.738 9.182 3.425 1.00 23.04 O ATOM 1145 CB ARG A 73 0.751 10.920 3.494 1.00 30.34 C ATOM 1146 CG ARG A 73 0.204 12.149 4.213 1.00 1.53 C ATOM 1147 CD ARG A 73 -1.288 12.012 4.518 1.00 50.41 C ATOM 1148 NE ARG A 73 -1.804 13.151 5.276 1.00 2.20 N ATOM 1149 CZ ARG A 73 -3.071 13.470 5.353 1.00 3.32 C ATOM 1150 NH1 ARG A 73 -3.966 12.804 4.693 1.00 14.41 N ATOM 1151 NH2 ARG A 73 -3.440 14.469 6.085 1.00 25.05 N ATOM 0 H ARG A 73 1.493 12.322 1.571 1.00 21.11 H new ATOM 0 HA ARG A 73 2.800 11.478 3.889 1.00 2.23 H new ATOM 0 HB2 ARG A 73 0.146 10.734 2.607 1.00 30.34 H new ATOM 0 HB3 ARG A 73 0.638 10.053 4.145 1.00 30.34 H new ATOM 0 HG2 ARG A 73 0.753 12.300 5.143 1.00 1.53 H new ATOM 0 HG3 ARG A 73 0.369 13.033 3.598 1.00 1.53 H new ATOM 0 HD2 ARG A 73 -1.841 11.919 3.583 1.00 50.41 H new ATOM 0 HD3 ARG A 73 -1.459 11.095 5.082 1.00 50.41 H new ATOM 0 HE ARG A 73 -1.134 13.734 5.777 1.00 2.20 H new ATOM 0 HH11 ARG A 73 -3.687 12.020 4.104 1.00 14.41 H new ATOM 0 HH12 ARG A 73 -4.950 13.064 4.763 1.00 14.41 H new ATOM 0 HH21 ARG A 73 -2.744 15.007 6.601 1.00 25.05 H new ATOM 0 HH22 ARG A 73 -4.427 14.719 6.146 1.00 25.05 H new ATOM 1165 N GLN A 74 2.193 8.951 1.799 1.00 23.45 N ATOM 1166 CA GLN A 74 2.618 7.596 1.424 1.00 23.41 C ATOM 1167 C GLN A 74 4.057 7.585 0.876 1.00 52.42 C ATOM 1168 O GLN A 74 4.849 6.696 1.201 1.00 3.41 O ATOM 1169 CB GLN A 74 1.641 7.001 0.394 1.00 3.54 C ATOM 1170 CG GLN A 74 2.014 5.598 -0.083 1.00 2.12 C ATOM 1171 CD GLN A 74 0.895 4.910 -0.855 1.00 73.22 C ATOM 1172 OE1 GLN A 74 0.074 5.549 -1.501 1.00 63.01 O ATOM 1173 NE2 GLN A 74 0.864 3.593 -0.799 1.00 4.44 N ATOM 0 H GLN A 74 1.414 9.313 1.249 1.00 23.45 H new ATOM 0 HA GLN A 74 2.606 6.979 2.322 1.00 23.41 H new ATOM 0 HB2 GLN A 74 0.643 6.971 0.831 1.00 3.54 H new ATOM 0 HB3 GLN A 74 1.591 7.665 -0.469 1.00 3.54 H new ATOM 0 HG2 GLN A 74 2.899 5.660 -0.716 1.00 2.12 H new ATOM 0 HG3 GLN A 74 2.281 4.987 0.779 1.00 2.12 H new ATOM 0 HE21 GLN A 74 1.562 3.089 -0.252 1.00 4.44 H new ATOM 0 HE22 GLN A 74 0.142 3.078 -1.303 1.00 4.44 H new ATOM 1182 N LYS A 75 4.393 8.589 0.066 1.00 64.20 N ATOM 1183 CA LYS A 75 5.735 8.705 -0.519 1.00 13.11 C ATOM 1184 C LYS A 75 6.829 8.755 0.560 1.00 73.33 C ATOM 1185 O LYS A 75 7.688 7.873 0.625 1.00 1.11 O ATOM 1186 CB LYS A 75 5.823 9.954 -1.411 1.00 22.15 C ATOM 1187 CG LYS A 75 7.221 10.220 -1.961 1.00 4.20 C ATOM 1188 CD LYS A 75 7.241 11.386 -2.945 1.00 31.33 C ATOM 1189 CE LYS A 75 8.663 11.739 -3.366 1.00 23.03 C ATOM 1190 NZ LYS A 75 9.453 12.301 -2.241 1.00 74.33 N ATOM 0 H LYS A 75 3.754 9.337 -0.202 1.00 64.20 H new ATOM 0 HA LYS A 75 5.904 7.814 -1.124 1.00 13.11 H new ATOM 0 HB2 LYS A 75 5.130 9.843 -2.245 1.00 22.15 H new ATOM 0 HB3 LYS A 75 5.497 10.822 -0.838 1.00 22.15 H new ATOM 0 HG2 LYS A 75 7.900 10.432 -1.135 1.00 4.20 H new ATOM 0 HG3 LYS A 75 7.592 9.322 -2.456 1.00 4.20 H new ATOM 0 HD2 LYS A 75 6.653 11.130 -3.826 1.00 31.33 H new ATOM 0 HD3 LYS A 75 6.769 12.256 -2.489 1.00 31.33 H new ATOM 0 HE2 LYS A 75 9.160 10.847 -3.748 1.00 23.03 H new ATOM 0 HE3 LYS A 75 8.631 12.460 -4.182 1.00 23.03 H new ATOM 0 HZ1 LYS A 75 10.447 12.401 -2.531 1.00 74.33 H new ATOM 0 HZ2 LYS A 75 9.073 13.234 -1.981 1.00 74.33 H new ATOM 0 HZ3 LYS A 75 9.393 11.663 -1.422 1.00 74.33 H new ATOM 1204 N GLN A 76 6.785 9.782 1.409 1.00 73.45 N ATOM 1205 CA GLN A 76 7.817 9.986 2.435 1.00 2.10 C ATOM 1206 C GLN A 76 7.947 8.774 3.367 1.00 14.42 C ATOM 1207 O GLN A 76 9.050 8.423 3.793 1.00 34.22 O ATOM 1208 CB GLN A 76 7.512 11.240 3.262 1.00 42.23 C ATOM 1209 CG GLN A 76 7.590 12.536 2.463 1.00 61.32 C ATOM 1210 CD GLN A 76 8.994 12.848 1.964 1.00 50.11 C ATOM 1211 OE1 GLN A 76 9.989 12.463 2.573 1.00 31.12 O ATOM 1212 NE2 GLN A 76 9.090 13.580 0.870 1.00 35.22 N ATOM 0 H GLN A 76 6.048 10.487 1.409 1.00 73.45 H new ATOM 0 HA GLN A 76 8.766 10.114 1.914 1.00 2.10 H new ATOM 0 HB2 GLN A 76 6.514 11.148 3.691 1.00 42.23 H new ATOM 0 HB3 GLN A 76 8.213 11.294 4.095 1.00 42.23 H new ATOM 0 HG2 GLN A 76 6.914 12.471 1.610 1.00 61.32 H new ATOM 0 HG3 GLN A 76 7.241 13.360 3.085 1.00 61.32 H new ATOM 0 HE21 GLN A 76 8.246 13.885 0.385 1.00 35.22 H new ATOM 0 HE22 GLN A 76 10.008 13.840 0.509 1.00 35.22 H new ATOM 1221 N LYS A 77 6.816 8.152 3.700 1.00 34.43 N ATOM 1222 CA LYS A 77 6.809 6.934 4.520 1.00 41.21 C ATOM 1223 C LYS A 77 7.690 5.836 3.906 1.00 72.55 C ATOM 1224 O LYS A 77 8.539 5.253 4.580 1.00 13.14 O ATOM 1225 CB LYS A 77 5.374 6.409 4.675 1.00 20.41 C ATOM 1226 CG LYS A 77 4.514 7.196 5.659 1.00 43.14 C ATOM 1227 CD LYS A 77 4.939 6.949 7.105 1.00 73.51 C ATOM 1228 CE LYS A 77 3.991 7.618 8.089 1.00 33.35 C ATOM 1229 NZ LYS A 77 4.325 7.291 9.500 1.00 72.32 N ATOM 0 H LYS A 77 5.890 8.470 3.415 1.00 34.43 H new ATOM 0 HA LYS A 77 7.215 7.193 5.498 1.00 41.21 H new ATOM 0 HB2 LYS A 77 4.889 6.420 3.699 1.00 20.41 H new ATOM 0 HB3 LYS A 77 5.414 5.369 4.999 1.00 20.41 H new ATOM 0 HG2 LYS A 77 4.587 8.260 5.435 1.00 43.14 H new ATOM 0 HG3 LYS A 77 3.468 6.915 5.534 1.00 43.14 H new ATOM 0 HD2 LYS A 77 4.968 5.877 7.298 1.00 73.51 H new ATOM 0 HD3 LYS A 77 5.950 7.328 7.258 1.00 73.51 H new ATOM 0 HE2 LYS A 77 4.028 8.698 7.950 1.00 33.35 H new ATOM 0 HE3 LYS A 77 2.969 7.304 7.877 1.00 33.35 H new ATOM 0 HZ1 LYS A 77 3.498 6.862 9.962 1.00 72.32 H new ATOM 0 HZ2 LYS A 77 5.120 6.621 9.522 1.00 72.32 H new ATOM 0 HZ3 LYS A 77 4.591 8.161 10.004 1.00 72.32 H new ATOM 1243 N LEU A 78 7.496 5.580 2.616 1.00 13.30 N ATOM 1244 CA LEU A 78 8.227 4.514 1.922 1.00 3.34 C ATOM 1245 C LEU A 78 9.710 4.874 1.754 1.00 53.23 C ATOM 1246 O LEU A 78 10.593 4.028 1.919 1.00 33.53 O ATOM 1247 CB LEU A 78 7.576 4.237 0.561 1.00 54.34 C ATOM 1248 CG LEU A 78 6.129 3.720 0.635 1.00 32.51 C ATOM 1249 CD1 LEU A 78 5.541 3.534 -0.760 1.00 13.13 C ATOM 1250 CD2 LEU A 78 6.063 2.414 1.427 1.00 71.54 C ATOM 0 H LEU A 78 6.840 6.093 2.027 1.00 13.30 H new ATOM 0 HA LEU A 78 8.177 3.610 2.529 1.00 3.34 H new ATOM 0 HB2 LEU A 78 7.590 5.155 -0.027 1.00 54.34 H new ATOM 0 HB3 LEU A 78 8.182 3.506 0.026 1.00 54.34 H new ATOM 0 HG LEU A 78 5.531 4.468 1.155 1.00 32.51 H new ATOM 0 HD11 LEU A 78 4.518 3.168 -0.678 1.00 13.13 H new ATOM 0 HD12 LEU A 78 5.544 4.489 -1.286 1.00 13.13 H new ATOM 0 HD13 LEU A 78 6.141 2.812 -1.315 1.00 13.13 H new ATOM 0 HD21 LEU A 78 5.031 2.065 1.468 1.00 71.54 H new ATOM 0 HD22 LEU A 78 6.682 1.661 0.939 1.00 71.54 H new ATOM 0 HD23 LEU A 78 6.429 2.584 2.440 1.00 71.54 H new ATOM 1262 N GLU A 79 9.982 6.136 1.438 1.00 3.33 N ATOM 1263 CA GLU A 79 11.361 6.616 1.325 1.00 62.24 C ATOM 1264 C GLU A 79 12.095 6.483 2.666 1.00 32.23 C ATOM 1265 O GLU A 79 13.287 6.174 2.709 1.00 42.32 O ATOM 1266 CB GLU A 79 11.379 8.073 0.849 1.00 34.33 C ATOM 1267 CG GLU A 79 10.621 8.292 -0.457 1.00 55.25 C ATOM 1268 CD GLU A 79 10.715 9.718 -0.964 1.00 71.55 C ATOM 1269 OE1 GLU A 79 10.253 10.637 -0.259 1.00 51.21 O ATOM 1270 OE2 GLU A 79 11.240 9.927 -2.077 1.00 10.32 O ATOM 0 H GLU A 79 9.271 6.845 1.256 1.00 3.33 H new ATOM 0 HA GLU A 79 11.879 6.001 0.590 1.00 62.24 H new ATOM 0 HB2 GLU A 79 10.945 8.706 1.623 1.00 34.33 H new ATOM 0 HB3 GLU A 79 12.413 8.392 0.719 1.00 34.33 H new ATOM 0 HG2 GLU A 79 11.013 7.616 -1.216 1.00 55.25 H new ATOM 0 HG3 GLU A 79 9.573 8.033 -0.310 1.00 55.25 H new ATOM 1277 N ALA A 80 11.365 6.691 3.762 1.00 13.11 N ATOM 1278 CA ALA A 80 11.918 6.519 5.107 1.00 43.15 C ATOM 1279 C ALA A 80 12.382 5.074 5.344 1.00 13.41 C ATOM 1280 O ALA A 80 13.343 4.833 6.080 1.00 22.01 O ATOM 1281 CB ALA A 80 10.888 6.925 6.155 1.00 11.44 C ATOM 0 H ALA A 80 10.387 6.980 3.745 1.00 13.11 H new ATOM 0 HA ALA A 80 12.791 7.166 5.196 1.00 43.15 H new ATOM 0 HB1 ALA A 80 11.311 6.793 7.151 1.00 11.44 H new ATOM 0 HB2 ALA A 80 10.616 7.971 6.012 1.00 11.44 H new ATOM 0 HB3 ALA A 80 9.999 6.302 6.052 1.00 11.44 H new ATOM 1287 N GLU A 81 11.700 4.115 4.718 1.00 40.04 N ATOM 1288 CA GLU A 81 12.075 2.700 4.834 1.00 61.23 C ATOM 1289 C GLU A 81 13.229 2.337 3.880 1.00 65.04 C ATOM 1290 O GLU A 81 13.805 1.253 3.975 1.00 13.15 O ATOM 1291 CB GLU A 81 10.861 1.797 4.559 1.00 32.34 C ATOM 1292 CG GLU A 81 9.647 2.121 5.430 1.00 70.13 C ATOM 1293 CD GLU A 81 8.588 1.024 5.424 1.00 50.34 C ATOM 1294 OE1 GLU A 81 8.359 0.399 4.369 1.00 54.04 O ATOM 1295 OE2 GLU A 81 7.982 0.778 6.491 1.00 71.03 O ATOM 0 H GLU A 81 10.887 4.288 4.127 1.00 40.04 H new ATOM 0 HA GLU A 81 12.419 2.536 5.855 1.00 61.23 H new ATOM 0 HB2 GLU A 81 10.580 1.890 3.510 1.00 32.34 H new ATOM 0 HB3 GLU A 81 11.147 0.758 4.722 1.00 32.34 H new ATOM 0 HG2 GLU A 81 9.979 2.290 6.454 1.00 70.13 H new ATOM 0 HG3 GLU A 81 9.198 3.051 5.083 1.00 70.13 H new ATOM 1302 N GLY A 82 13.568 3.255 2.974 1.00 10.40 N ATOM 1303 CA GLY A 82 14.647 3.015 2.013 1.00 72.01 C ATOM 1304 C GLY A 82 14.148 2.570 0.640 1.00 31.41 C ATOM 1305 O GLY A 82 14.857 1.876 -0.090 1.00 14.21 O ATOM 0 H GLY A 82 13.116 4.165 2.885 1.00 10.40 H new ATOM 0 HA2 GLY A 82 15.233 3.927 1.900 1.00 72.01 H new ATOM 0 HA3 GLY A 82 15.317 2.253 2.412 1.00 72.01 H new ATOM 1309 N ILE A 83 12.928 2.972 0.287 1.00 71.15 N ATOM 1310 CA ILE A 83 12.327 2.610 -1.000 1.00 2.22 C ATOM 1311 C ILE A 83 12.474 3.739 -2.039 1.00 0.24 C ATOM 1312 O ILE A 83 12.193 4.907 -1.751 1.00 4.11 O ATOM 1313 CB ILE A 83 10.826 2.260 -0.827 1.00 34.44 C ATOM 1314 CG1 ILE A 83 10.667 1.078 0.147 1.00 21.51 C ATOM 1315 CG2 ILE A 83 10.176 1.945 -2.176 1.00 14.23 C ATOM 1316 CD1 ILE A 83 9.228 0.686 0.417 1.00 35.44 C ATOM 0 H ILE A 83 12.332 3.552 0.877 1.00 71.15 H new ATOM 0 HA ILE A 83 12.864 1.735 -1.366 1.00 2.22 H new ATOM 0 HB ILE A 83 10.316 3.128 -0.409 1.00 34.44 H new ATOM 0 HG12 ILE A 83 11.197 0.215 -0.256 1.00 21.51 H new ATOM 0 HG13 ILE A 83 11.146 1.333 1.092 1.00 21.51 H new ATOM 0 HG21 ILE A 83 9.124 1.703 -2.025 1.00 14.23 H new ATOM 0 HG22 ILE A 83 10.259 2.812 -2.831 1.00 14.23 H new ATOM 0 HG23 ILE A 83 10.682 1.095 -2.634 1.00 14.23 H new ATOM 0 HD11 ILE A 83 9.204 -0.153 1.112 1.00 35.44 H new ATOM 0 HD12 ILE A 83 8.696 1.532 0.851 1.00 35.44 H new ATOM 0 HD13 ILE A 83 8.748 0.397 -0.518 1.00 35.44 H new ATOM 1328 N GLU A 84 12.945 3.387 -3.236 1.00 32.21 N ATOM 1329 CA GLU A 84 13.035 4.339 -4.352 1.00 61.12 C ATOM 1330 C GLU A 84 11.637 4.759 -4.841 1.00 33.51 C ATOM 1331 O GLU A 84 10.850 3.924 -5.295 1.00 70.31 O ATOM 1332 CB GLU A 84 13.819 3.720 -5.519 1.00 24.44 C ATOM 1333 CG GLU A 84 15.259 3.342 -5.179 1.00 0.21 C ATOM 1334 CD GLU A 84 15.974 2.663 -6.339 1.00 1.14 C ATOM 1335 OE1 GLU A 84 15.846 1.431 -6.491 1.00 41.41 O ATOM 1336 OE2 GLU A 84 16.663 3.360 -7.112 1.00 21.00 O ATOM 0 H GLU A 84 13.272 2.447 -3.461 1.00 32.21 H new ATOM 0 HA GLU A 84 13.557 5.225 -3.990 1.00 61.12 H new ATOM 0 HB2 GLU A 84 13.293 2.829 -5.862 1.00 24.44 H new ATOM 0 HB3 GLU A 84 13.827 4.425 -6.350 1.00 24.44 H new ATOM 0 HG2 GLU A 84 15.809 4.239 -4.893 1.00 0.21 H new ATOM 0 HG3 GLU A 84 15.262 2.677 -4.315 1.00 0.21 H new ATOM 1343 N VAL A 85 11.336 6.051 -4.746 1.00 22.35 N ATOM 1344 CA VAL A 85 10.053 6.589 -5.213 1.00 53.02 C ATOM 1345 C VAL A 85 10.271 7.789 -6.149 1.00 33.32 C ATOM 1346 O VAL A 85 10.699 8.862 -5.712 1.00 74.35 O ATOM 1347 CB VAL A 85 9.149 7.027 -4.028 1.00 54.01 C ATOM 1348 CG1 VAL A 85 7.793 7.525 -4.531 1.00 42.52 C ATOM 1349 CG2 VAL A 85 8.966 5.884 -3.027 1.00 34.24 C ATOM 0 H VAL A 85 11.963 6.751 -4.349 1.00 22.35 H new ATOM 0 HA VAL A 85 9.553 5.788 -5.757 1.00 53.02 H new ATOM 0 HB VAL A 85 9.646 7.851 -3.515 1.00 54.01 H new ATOM 0 HG11 VAL A 85 7.178 7.826 -3.683 1.00 42.52 H new ATOM 0 HG12 VAL A 85 7.941 8.379 -5.192 1.00 42.52 H new ATOM 0 HG13 VAL A 85 7.292 6.726 -5.077 1.00 42.52 H new ATOM 0 HG21 VAL A 85 8.329 6.217 -2.207 1.00 34.24 H new ATOM 0 HG22 VAL A 85 8.500 5.034 -3.526 1.00 34.24 H new ATOM 0 HG23 VAL A 85 9.938 5.586 -2.634 1.00 34.24 H new ATOM 1359 N SER A 86 9.992 7.597 -7.437 1.00 52.50 N ATOM 1360 CA SER A 86 10.107 8.680 -8.426 1.00 53.24 C ATOM 1361 C SER A 86 9.149 9.837 -8.097 1.00 51.43 C ATOM 1362 O SER A 86 8.043 9.606 -7.599 1.00 14.43 O ATOM 1363 CB SER A 86 9.820 8.156 -9.838 1.00 74.24 C ATOM 1364 OG SER A 86 10.688 7.085 -10.181 1.00 35.22 O ATOM 0 H SER A 86 9.685 6.705 -7.825 1.00 52.50 H new ATOM 0 HA SER A 86 11.130 9.055 -8.386 1.00 53.24 H new ATOM 0 HB2 SER A 86 8.785 7.821 -9.900 1.00 74.24 H new ATOM 0 HB3 SER A 86 9.936 8.966 -10.559 1.00 74.24 H new ATOM 0 HG SER A 86 10.479 6.772 -11.086 1.00 35.22 H new ATOM 1370 N GLU A 87 9.575 11.064 -8.419 1.00 52.23 N ATOM 1371 CA GLU A 87 8.884 12.303 -8.006 1.00 63.31 C ATOM 1372 C GLU A 87 7.355 12.261 -8.199 1.00 71.51 C ATOM 1373 O GLU A 87 6.604 12.670 -7.312 1.00 32.44 O ATOM 1374 CB GLU A 87 9.467 13.504 -8.770 1.00 24.55 C ATOM 1375 CG GLU A 87 9.256 13.443 -10.281 1.00 70.43 C ATOM 1376 CD GLU A 87 9.822 14.650 -11.008 1.00 15.31 C ATOM 1377 OE1 GLU A 87 9.275 15.761 -10.839 1.00 75.33 O ATOM 1378 OE2 GLU A 87 10.820 14.497 -11.745 1.00 25.33 O ATOM 0 H GLU A 87 10.413 11.232 -8.976 1.00 52.23 H new ATOM 0 HA GLU A 87 9.056 12.404 -6.934 1.00 63.31 H new ATOM 0 HB2 GLU A 87 9.015 14.419 -8.387 1.00 24.55 H new ATOM 0 HB3 GLU A 87 10.536 13.567 -8.565 1.00 24.55 H new ATOM 0 HG2 GLU A 87 9.723 12.539 -10.671 1.00 70.43 H new ATOM 0 HG3 GLU A 87 8.189 13.367 -10.491 1.00 70.43 H new ATOM 1385 N ILE A 88 6.890 11.768 -9.347 1.00 23.10 N ATOM 1386 CA ILE A 88 5.448 11.742 -9.647 1.00 74.31 C ATOM 1387 C ILE A 88 4.728 10.558 -8.970 1.00 24.21 C ATOM 1388 O ILE A 88 3.583 10.243 -9.296 1.00 0.35 O ATOM 1389 CB ILE A 88 5.189 11.744 -11.186 1.00 41.31 C ATOM 1390 CG1 ILE A 88 5.947 10.604 -11.908 1.00 64.54 C ATOM 1391 CG2 ILE A 88 5.579 13.097 -11.787 1.00 43.43 C ATOM 1392 CD1 ILE A 88 5.294 9.239 -11.803 1.00 1.12 C ATOM 0 H ILE A 88 7.481 11.383 -10.083 1.00 23.10 H new ATOM 0 HA ILE A 88 5.026 12.655 -9.228 1.00 74.31 H new ATOM 0 HB ILE A 88 4.123 11.573 -11.335 1.00 41.31 H new ATOM 0 HG12 ILE A 88 6.046 10.863 -12.962 1.00 64.54 H new ATOM 0 HG13 ILE A 88 6.955 10.541 -11.499 1.00 64.54 H new ATOM 0 HG21 ILE A 88 5.393 13.085 -12.861 1.00 43.43 H new ATOM 0 HG22 ILE A 88 4.985 13.885 -11.325 1.00 43.43 H new ATOM 0 HG23 ILE A 88 6.637 13.285 -11.604 1.00 43.43 H new ATOM 0 HD11 ILE A 88 5.896 8.505 -12.339 1.00 1.12 H new ATOM 0 HD12 ILE A 88 5.219 8.951 -10.754 1.00 1.12 H new ATOM 0 HD13 ILE A 88 4.296 9.278 -12.240 1.00 1.12 H new ATOM 1404 N GLY A 89 5.395 9.924 -8.011 1.00 53.24 N ATOM 1405 CA GLY A 89 4.813 8.794 -7.301 1.00 1.52 C ATOM 1406 C GLY A 89 4.884 7.494 -8.092 1.00 11.24 C ATOM 1407 O GLY A 89 3.860 6.870 -8.358 1.00 52.13 O ATOM 0 H GLY A 89 6.337 10.174 -7.709 1.00 53.24 H new ATOM 0 HA2 GLY A 89 5.331 8.663 -6.351 1.00 1.52 H new ATOM 0 HA3 GLY A 89 3.771 9.015 -7.069 1.00 1.52 H new ATOM 1411 N LYS A 90 6.098 7.087 -8.473 1.00 20.42 N ATOM 1412 CA LYS A 90 6.300 5.841 -9.242 1.00 21.33 C ATOM 1413 C LYS A 90 7.317 4.913 -8.549 1.00 32.25 C ATOM 1414 O LYS A 90 8.431 5.329 -8.228 1.00 52.24 O ATOM 1415 CB LYS A 90 6.757 6.181 -10.671 1.00 10.12 C ATOM 1416 CG LYS A 90 7.055 4.976 -11.559 1.00 23.43 C ATOM 1417 CD LYS A 90 7.447 5.412 -12.973 1.00 71.44 C ATOM 1418 CE LYS A 90 7.829 4.229 -13.857 1.00 32.52 C ATOM 1419 NZ LYS A 90 9.046 3.533 -13.363 1.00 1.25 N ATOM 0 H LYS A 90 6.958 7.595 -8.266 1.00 20.42 H new ATOM 0 HA LYS A 90 5.351 5.307 -9.289 1.00 21.33 H new ATOM 0 HB2 LYS A 90 5.985 6.783 -11.149 1.00 10.12 H new ATOM 0 HB3 LYS A 90 7.652 6.800 -10.612 1.00 10.12 H new ATOM 0 HG2 LYS A 90 7.862 4.389 -11.120 1.00 23.43 H new ATOM 0 HG3 LYS A 90 6.179 4.330 -11.605 1.00 23.43 H new ATOM 0 HD2 LYS A 90 6.616 5.950 -13.429 1.00 71.44 H new ATOM 0 HD3 LYS A 90 8.285 6.107 -12.918 1.00 71.44 H new ATOM 0 HE2 LYS A 90 6.999 3.523 -13.897 1.00 32.52 H new ATOM 0 HE3 LYS A 90 7.999 4.578 -14.875 1.00 32.52 H new ATOM 0 HZ1 LYS A 90 9.378 2.860 -14.083 1.00 1.25 H new ATOM 0 HZ2 LYS A 90 9.792 4.232 -13.172 1.00 1.25 H new ATOM 0 HZ3 LYS A 90 8.821 3.019 -12.487 1.00 1.25 H new ATOM 1433 N ILE A 91 6.921 3.656 -8.325 1.00 24.40 N ATOM 1434 CA ILE A 91 7.741 2.686 -7.583 1.00 74.23 C ATOM 1435 C ILE A 91 7.954 1.390 -8.393 1.00 2.43 C ATOM 1436 O ILE A 91 7.124 1.021 -9.228 1.00 4.32 O ATOM 1437 CB ILE A 91 7.068 2.339 -6.225 1.00 44.24 C ATOM 1438 CG1 ILE A 91 6.759 3.629 -5.443 1.00 61.33 C ATOM 1439 CG2 ILE A 91 7.951 1.403 -5.396 1.00 53.30 C ATOM 1440 CD1 ILE A 91 5.984 3.406 -4.162 1.00 5.25 C ATOM 0 H ILE A 91 6.029 3.282 -8.649 1.00 24.40 H new ATOM 0 HA ILE A 91 8.713 3.146 -7.405 1.00 74.23 H new ATOM 0 HB ILE A 91 6.132 1.819 -6.429 1.00 44.24 H new ATOM 0 HG12 ILE A 91 7.697 4.130 -5.205 1.00 61.33 H new ATOM 0 HG13 ILE A 91 6.192 4.303 -6.085 1.00 61.33 H new ATOM 0 HG21 ILE A 91 7.456 1.177 -4.452 1.00 53.30 H new ATOM 0 HG22 ILE A 91 8.119 0.478 -5.948 1.00 53.30 H new ATOM 0 HG23 ILE A 91 8.908 1.886 -5.197 1.00 53.30 H new ATOM 0 HD11 ILE A 91 5.808 4.364 -3.672 1.00 5.25 H new ATOM 0 HD12 ILE A 91 5.028 2.935 -4.392 1.00 5.25 H new ATOM 0 HD13 ILE A 91 6.557 2.759 -3.498 1.00 5.25 H new ATOM 1452 N ALA A 92 9.069 0.703 -8.147 1.00 73.01 N ATOM 1453 CA ALA A 92 9.398 -0.536 -8.866 1.00 50.32 C ATOM 1454 C ALA A 92 8.720 -1.771 -8.242 1.00 12.33 C ATOM 1455 O ALA A 92 9.203 -2.329 -7.253 1.00 53.43 O ATOM 1456 CB ALA A 92 10.912 -0.727 -8.911 1.00 51.23 C ATOM 0 H ALA A 92 9.764 0.981 -7.454 1.00 73.01 H new ATOM 0 HA ALA A 92 9.013 -0.438 -9.881 1.00 50.32 H new ATOM 0 HB1 ALA A 92 11.147 -1.647 -9.446 1.00 51.23 H new ATOM 0 HB2 ALA A 92 11.370 0.118 -9.425 1.00 51.23 H new ATOM 0 HB3 ALA A 92 11.301 -0.788 -7.895 1.00 51.23 H new ATOM 1462 N LEU A 93 7.605 -2.206 -8.840 1.00 11.43 N ATOM 1463 CA LEU A 93 6.856 -3.378 -8.350 1.00 31.24 C ATOM 1464 C LEU A 93 7.593 -4.707 -8.590 1.00 44.05 C ATOM 1465 O LEU A 93 7.086 -5.766 -8.234 1.00 24.33 O ATOM 1466 CB LEU A 93 5.462 -3.442 -8.994 1.00 60.12 C ATOM 1467 CG LEU A 93 4.407 -2.513 -8.377 1.00 11.03 C ATOM 1468 CD1 LEU A 93 3.067 -2.670 -9.095 1.00 2.54 C ATOM 1469 CD2 LEU A 93 4.259 -2.800 -6.884 1.00 23.11 C ATOM 0 H LEU A 93 7.198 -1.766 -9.665 1.00 11.43 H new ATOM 0 HA LEU A 93 6.761 -3.246 -7.272 1.00 31.24 H new ATOM 0 HB2 LEU A 93 5.558 -3.201 -10.053 1.00 60.12 H new ATOM 0 HB3 LEU A 93 5.099 -4.468 -8.932 1.00 60.12 H new ATOM 0 HG LEU A 93 4.737 -1.481 -8.499 1.00 11.03 H new ATOM 0 HD11 LEU A 93 2.332 -2.004 -8.644 1.00 2.54 H new ATOM 0 HD12 LEU A 93 3.187 -2.418 -10.149 1.00 2.54 H new ATOM 0 HD13 LEU A 93 2.725 -3.701 -9.006 1.00 2.54 H new ATOM 0 HD21 LEU A 93 3.508 -2.135 -6.458 1.00 23.11 H new ATOM 0 HD22 LEU A 93 3.949 -3.835 -6.741 1.00 23.11 H new ATOM 0 HD23 LEU A 93 5.214 -2.635 -6.385 1.00 23.11 H new ATOM 1481 N ARG A 94 8.764 -4.661 -9.219 1.00 33.24 N ATOM 1482 CA ARG A 94 9.601 -5.861 -9.369 1.00 1.22 C ATOM 1483 C ARG A 94 10.685 -5.924 -8.284 1.00 73.13 C ATOM 1484 O ARG A 94 10.948 -6.983 -7.717 1.00 12.22 O ATOM 1485 CB ARG A 94 10.234 -5.921 -10.768 1.00 51.11 C ATOM 1486 CG ARG A 94 9.267 -6.380 -11.857 1.00 24.41 C ATOM 1487 CD ARG A 94 9.946 -6.472 -13.220 1.00 63.24 C ATOM 1488 NE ARG A 94 11.211 -7.203 -13.156 1.00 40.45 N ATOM 1489 CZ ARG A 94 11.364 -8.460 -13.484 1.00 62.35 C ATOM 1490 NH1 ARG A 94 10.356 -9.185 -13.850 1.00 45.33 N ATOM 1491 NH2 ARG A 94 12.538 -8.994 -13.424 1.00 60.52 N ATOM 0 H ARG A 94 9.158 -3.816 -9.632 1.00 33.24 H new ATOM 0 HA ARG A 94 8.953 -6.729 -9.249 1.00 1.22 H new ATOM 0 HB2 ARG A 94 10.618 -4.934 -11.027 1.00 51.11 H new ATOM 0 HB3 ARG A 94 11.088 -6.598 -10.743 1.00 51.11 H new ATOM 0 HG2 ARG A 94 8.856 -7.353 -11.590 1.00 24.41 H new ATOM 0 HG3 ARG A 94 8.429 -5.685 -11.915 1.00 24.41 H new ATOM 0 HD2 ARG A 94 9.277 -6.966 -13.925 1.00 63.24 H new ATOM 0 HD3 ARG A 94 10.127 -5.468 -13.603 1.00 63.24 H new ATOM 0 HE ARG A 94 12.034 -6.696 -12.832 1.00 40.45 H new ATOM 0 HH11 ARG A 94 9.421 -8.778 -13.887 1.00 45.33 H new ATOM 0 HH12 ARG A 94 10.496 -10.163 -14.102 1.00 45.33 H new ATOM 0 HH21 ARG A 94 13.337 -8.436 -13.123 1.00 60.52 H new ATOM 0 HH22 ARG A 94 12.666 -9.974 -13.678 1.00 60.52 H new ATOM 1505 N LYS A 95 11.309 -4.784 -7.992 1.00 22.54 N ATOM 1506 CA LYS A 95 12.362 -4.719 -6.970 1.00 32.44 C ATOM 1507 C LYS A 95 11.786 -4.740 -5.543 1.00 72.45 C ATOM 1508 O LYS A 95 12.354 -5.362 -4.644 1.00 74.13 O ATOM 1509 CB LYS A 95 13.209 -3.452 -7.158 1.00 41.13 C ATOM 1510 CG LYS A 95 14.346 -3.317 -6.145 1.00 24.32 C ATOM 1511 CD LYS A 95 15.142 -2.025 -6.332 1.00 54.42 C ATOM 1512 CE LYS A 95 15.818 -1.951 -7.698 1.00 64.03 C ATOM 1513 NZ LYS A 95 16.694 -0.756 -7.817 1.00 2.45 N ATOM 0 H LYS A 95 11.107 -3.893 -8.445 1.00 22.54 H new ATOM 0 HA LYS A 95 12.985 -5.605 -7.096 1.00 32.44 H new ATOM 0 HB2 LYS A 95 13.629 -3.452 -8.164 1.00 41.13 H new ATOM 0 HB3 LYS A 95 12.562 -2.578 -7.083 1.00 41.13 H new ATOM 0 HG2 LYS A 95 13.935 -3.345 -5.136 1.00 24.32 H new ATOM 0 HG3 LYS A 95 15.017 -4.171 -6.240 1.00 24.32 H new ATOM 0 HD2 LYS A 95 14.476 -1.171 -6.212 1.00 54.42 H new ATOM 0 HD3 LYS A 95 15.898 -1.951 -5.551 1.00 54.42 H new ATOM 0 HE2 LYS A 95 16.409 -2.852 -7.860 1.00 64.03 H new ATOM 0 HE3 LYS A 95 15.058 -1.923 -8.479 1.00 64.03 H new ATOM 0 HZ1 LYS A 95 16.544 -0.306 -8.742 1.00 2.45 H new ATOM 0 HZ2 LYS A 95 16.463 -0.080 -7.062 1.00 2.45 H new ATOM 0 HZ3 LYS A 95 17.689 -1.045 -7.730 1.00 2.45 H new ATOM 1527 N TYR A 96 10.646 -4.077 -5.344 1.00 31.20 N ATOM 1528 CA TYR A 96 10.095 -3.879 -3.995 1.00 10.34 C ATOM 1529 C TYR A 96 8.827 -4.696 -3.757 1.00 32.22 C ATOM 1530 O TYR A 96 8.112 -4.465 -2.784 1.00 72.34 O ATOM 1531 CB TYR A 96 9.794 -2.393 -3.759 1.00 31.34 C ATOM 1532 CG TYR A 96 11.033 -1.523 -3.704 1.00 11.12 C ATOM 1533 CD1 TYR A 96 11.848 -1.522 -2.577 1.00 73.52 C ATOM 1534 CD2 TYR A 96 11.388 -0.705 -4.773 1.00 13.43 C ATOM 1535 CE1 TYR A 96 12.975 -0.731 -2.514 1.00 61.22 C ATOM 1536 CE2 TYR A 96 12.517 0.089 -4.716 1.00 33.31 C ATOM 1537 CZ TYR A 96 13.305 0.071 -3.585 1.00 31.31 C ATOM 1538 OH TYR A 96 14.426 0.864 -3.522 1.00 70.01 O ATOM 0 H TYR A 96 10.086 -3.669 -6.092 1.00 31.20 H new ATOM 0 HA TYR A 96 10.851 -4.225 -3.290 1.00 10.34 H new ATOM 0 HB2 TYR A 96 9.142 -2.032 -4.555 1.00 31.34 H new ATOM 0 HB3 TYR A 96 9.244 -2.287 -2.824 1.00 31.34 H new ATOM 0 HD1 TYR A 96 11.594 -2.152 -1.737 1.00 73.52 H new ATOM 0 HD2 TYR A 96 10.772 -0.691 -5.660 1.00 13.43 H new ATOM 0 HE1 TYR A 96 13.596 -0.740 -1.630 1.00 61.22 H new ATOM 0 HE2 TYR A 96 12.781 0.720 -5.552 1.00 33.31 H new ATOM 0 HH TYR A 96 15.108 0.516 -4.133 1.00 70.01 H new ATOM 1548 N LYS A 97 8.556 -5.659 -4.626 1.00 64.14 N ATOM 1549 CA LYS A 97 7.338 -6.457 -4.518 1.00 3.42 C ATOM 1550 C LYS A 97 7.299 -7.256 -3.205 1.00 45.14 C ATOM 1551 O LYS A 97 8.285 -7.896 -2.819 1.00 40.31 O ATOM 1552 CB LYS A 97 7.229 -7.410 -5.708 1.00 33.21 C ATOM 1553 CG LYS A 97 5.860 -8.058 -5.834 1.00 31.15 C ATOM 1554 CD LYS A 97 5.788 -8.999 -7.030 1.00 52.31 C ATOM 1555 CE LYS A 97 4.490 -9.799 -7.043 1.00 24.42 C ATOM 1556 NZ LYS A 97 3.286 -8.927 -7.135 1.00 53.32 N ATOM 0 H LYS A 97 9.158 -5.908 -5.411 1.00 64.14 H new ATOM 0 HA LYS A 97 6.491 -5.771 -4.520 1.00 3.42 H new ATOM 0 HB2 LYS A 97 7.450 -6.863 -6.624 1.00 33.21 H new ATOM 0 HB3 LYS A 97 7.985 -8.189 -5.611 1.00 33.21 H new ATOM 0 HG2 LYS A 97 5.634 -8.611 -4.922 1.00 31.15 H new ATOM 0 HG3 LYS A 97 5.099 -7.284 -5.934 1.00 31.15 H new ATOM 0 HD2 LYS A 97 5.869 -8.423 -7.952 1.00 52.31 H new ATOM 0 HD3 LYS A 97 6.636 -9.683 -7.006 1.00 52.31 H new ATOM 0 HE2 LYS A 97 4.500 -10.489 -7.886 1.00 24.42 H new ATOM 0 HE3 LYS A 97 4.430 -10.403 -6.138 1.00 24.42 H new ATOM 0 HZ1 LYS A 97 2.443 -9.515 -7.294 1.00 53.32 H new ATOM 0 HZ2 LYS A 97 3.175 -8.394 -6.249 1.00 53.32 H new ATOM 0 HZ3 LYS A 97 3.399 -8.262 -7.927 1.00 53.32 H new ATOM 1570 N TRP A 98 6.166 -7.204 -2.514 1.00 72.10 N ATOM 1571 CA TRP A 98 5.986 -7.979 -1.291 1.00 24.05 C ATOM 1572 C TRP A 98 5.894 -9.481 -1.584 1.00 61.14 C ATOM 1573 O TRP A 98 4.910 -9.963 -2.149 1.00 62.21 O ATOM 1574 CB TRP A 98 4.737 -7.521 -0.527 1.00 11.34 C ATOM 1575 CG TRP A 98 4.422 -8.393 0.658 1.00 71.13 C ATOM 1576 CD1 TRP A 98 5.308 -8.861 1.584 1.00 44.00 C ATOM 1577 CD2 TRP A 98 3.138 -8.906 1.042 1.00 63.34 C ATOM 1578 NE1 TRP A 98 4.659 -9.628 2.517 1.00 65.33 N ATOM 1579 CE2 TRP A 98 3.329 -9.671 2.206 1.00 64.34 C ATOM 1580 CE3 TRP A 98 1.849 -8.796 0.517 1.00 53.32 C ATOM 1581 CZ2 TRP A 98 2.286 -10.318 2.853 1.00 3.14 C ATOM 1582 CZ3 TRP A 98 0.810 -9.439 1.166 1.00 23.13 C ATOM 1583 CH2 TRP A 98 1.037 -10.194 2.324 1.00 62.02 C ATOM 0 H TRP A 98 5.361 -6.636 -2.778 1.00 72.10 H new ATOM 0 HA TRP A 98 6.864 -7.804 -0.670 1.00 24.05 H new ATOM 0 HB2 TRP A 98 4.880 -6.495 -0.189 1.00 11.34 H new ATOM 0 HB3 TRP A 98 3.884 -7.517 -1.205 1.00 11.34 H new ATOM 0 HD1 TRP A 98 6.368 -8.657 1.582 1.00 44.00 H new ATOM 0 HE1 TRP A 98 5.097 -10.091 3.313 1.00 65.33 H new ATOM 0 HE3 TRP A 98 1.666 -8.220 -0.378 1.00 53.32 H new ATOM 0 HZ2 TRP A 98 2.459 -10.900 3.746 1.00 3.14 H new ATOM 0 HZ3 TRP A 98 -0.193 -9.358 0.773 1.00 23.13 H new ATOM 0 HH2 TRP A 98 0.206 -10.687 2.806 1.00 62.02 H new ATOM 1594 N GLN A 99 6.934 -10.208 -1.196 1.00 40.23 N ATOM 1595 CA GLN A 99 6.947 -11.666 -1.296 1.00 33.34 C ATOM 1596 C GLN A 99 7.010 -12.307 0.099 1.00 42.11 C ATOM 1597 O GLN A 99 8.080 -12.387 0.704 1.00 51.11 O ATOM 1598 CB GLN A 99 8.139 -12.145 -2.143 1.00 53.51 C ATOM 1599 CG GLN A 99 8.047 -11.780 -3.622 1.00 22.32 C ATOM 1600 CD GLN A 99 6.791 -12.331 -4.282 1.00 14.33 C ATOM 1601 OE1 GLN A 99 5.773 -11.659 -4.366 1.00 14.32 O ATOM 1602 NE2 GLN A 99 6.842 -13.571 -4.728 1.00 11.15 N ATOM 0 H GLN A 99 7.788 -9.809 -0.805 1.00 40.23 H new ATOM 0 HA GLN A 99 6.022 -11.974 -1.784 1.00 33.34 H new ATOM 0 HB2 GLN A 99 9.055 -11.720 -1.733 1.00 53.51 H new ATOM 0 HB3 GLN A 99 8.222 -13.228 -2.053 1.00 53.51 H new ATOM 0 HG2 GLN A 99 8.062 -10.695 -3.727 1.00 22.32 H new ATOM 0 HG3 GLN A 99 8.925 -12.163 -4.143 1.00 22.32 H new ATOM 0 HE21 GLN A 99 7.705 -14.108 -4.645 1.00 11.15 H new ATOM 0 HE22 GLN A 99 6.018 -13.993 -5.156 1.00 11.15 H new ATOM 1611 N PRO A 100 5.856 -12.736 0.648 1.00 43.45 N ATOM 1612 CA PRO A 100 5.810 -13.492 1.916 1.00 43.43 C ATOM 1613 C PRO A 100 6.487 -14.872 1.804 1.00 54.22 C ATOM 1614 O PRO A 100 6.729 -15.544 2.808 1.00 40.14 O ATOM 1615 CB PRO A 100 4.302 -13.645 2.182 1.00 50.20 C ATOM 1616 CG PRO A 100 3.663 -13.494 0.841 1.00 24.25 C ATOM 1617 CD PRO A 100 4.508 -12.495 0.102 1.00 65.45 C ATOM 0 HA PRO A 100 6.347 -12.983 2.716 1.00 43.43 H new ATOM 0 HB2 PRO A 100 4.074 -14.616 2.622 1.00 50.20 H new ATOM 0 HB3 PRO A 100 3.944 -12.887 2.879 1.00 50.20 H new ATOM 0 HG2 PRO A 100 3.630 -14.447 0.313 1.00 24.25 H new ATOM 0 HG3 PRO A 100 2.634 -13.145 0.934 1.00 24.25 H new ATOM 0 HD2 PRO A 100 4.474 -12.656 -0.976 1.00 65.45 H new ATOM 0 HD3 PRO A 100 4.176 -11.473 0.283 1.00 65.45 H new ATOM 1625 N LEU A 101 6.775 -15.286 0.570 1.00 61.32 N ATOM 1626 CA LEU A 101 7.449 -16.559 0.298 1.00 43.33 C ATOM 1627 C LEU A 101 8.882 -16.313 -0.206 1.00 34.21 C ATOM 1628 O LEU A 101 9.085 -15.591 -1.184 1.00 0.10 O ATOM 1629 CB LEU A 101 6.647 -17.350 -0.748 1.00 3.14 C ATOM 1630 CG LEU A 101 5.166 -17.591 -0.391 1.00 40.24 C ATOM 1631 CD1 LEU A 101 4.438 -18.291 -1.538 1.00 71.51 C ATOM 1632 CD2 LEU A 101 5.046 -18.395 0.905 1.00 44.30 C ATOM 0 H LEU A 101 6.549 -14.751 -0.268 1.00 61.32 H new ATOM 0 HA LEU A 101 7.505 -17.136 1.221 1.00 43.33 H new ATOM 0 HB2 LEU A 101 6.694 -16.817 -1.698 1.00 3.14 H new ATOM 0 HB3 LEU A 101 7.130 -18.315 -0.900 1.00 3.14 H new ATOM 0 HG LEU A 101 4.691 -16.623 -0.233 1.00 40.24 H new ATOM 0 HD11 LEU A 101 3.395 -18.451 -1.264 1.00 71.51 H new ATOM 0 HD12 LEU A 101 4.487 -17.670 -2.433 1.00 71.51 H new ATOM 0 HD13 LEU A 101 4.912 -19.252 -1.737 1.00 71.51 H new ATOM 0 HD21 LEU A 101 3.993 -18.554 1.139 1.00 44.30 H new ATOM 0 HD22 LEU A 101 5.540 -19.359 0.782 1.00 44.30 H new ATOM 0 HD23 LEU A 101 5.519 -17.846 1.719 1.00 44.30 H new ATOM 1644 N GLU A 102 9.867 -16.907 0.467 1.00 35.23 N ATOM 1645 CA GLU A 102 11.286 -16.723 0.108 1.00 41.31 C ATOM 1646 C GLU A 102 11.698 -17.610 -1.085 1.00 53.34 C ATOM 1647 O GLU A 102 11.816 -17.082 -2.216 1.00 37.67 O ATOM 1648 CB GLU A 102 12.183 -17.018 1.320 1.00 54.42 C ATOM 1649 CG GLU A 102 11.927 -16.103 2.514 1.00 51.02 C ATOM 1650 CD GLU A 102 12.799 -16.446 3.712 1.00 1.24 C ATOM 1651 OE1 GLU A 102 13.915 -15.897 3.821 1.00 4.33 O ATOM 1652 OE2 GLU A 102 12.369 -17.268 4.553 1.00 14.11 O ATOM 0 H GLU A 102 9.715 -17.522 1.266 1.00 35.23 H new ATOM 0 HA GLU A 102 11.415 -15.684 -0.194 1.00 41.31 H new ATOM 0 HB2 GLU A 102 12.032 -18.053 1.628 1.00 54.42 H new ATOM 0 HB3 GLU A 102 13.226 -16.924 1.019 1.00 54.42 H new ATOM 0 HG2 GLU A 102 12.110 -15.069 2.220 1.00 51.02 H new ATOM 0 HG3 GLU A 102 10.878 -16.172 2.801 1.00 51.02 H new TER 1659 GLU A 102