USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 983 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 55 TYR OH : rot -15:sc= 0.049 USER MOD Set 1.2: A 84 THR OG1 : rot 150:sc= 0.0409 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0.998 USER MOD Set 2.2: A 16 THR OG1 : rot 112:sc= 1.17 USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.0593 (180deg=0) USER MOD Single : A 2 SER OG : rot 76:sc=0.000892 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.507 K(o=0.51,f=-5.7!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.02 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0332 X(o=-0.033,f=-0.13) USER MOD Single : A 22 ASN : amide:sc= 0.249 K(o=0.25,f=-5.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 89:sc= 1.24 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 40 LYS NZ :NH3+ -179:sc= 1.21 (180deg=1.15) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0205 USER MOD Single : A 56 ASN : amide:sc= 0.372 X(o=0.37,f=-0.012) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.0508 X(o=-0.051,f=-0.27) USER MOD Single : A 69 THR OG1 : rot -94:sc= 1.24 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 40:sc= 1.26 USER MOD Single : A 74 THR OG1 : rot 100:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.498 X(o=0.5,f=0) USER MOD Single : A 86 CYS SG : rot 1:sc= 0.172 USER MOD Single : A 87 THR OG1 : rot 121:sc= 0.0029 USER MOD Single : A 97 GLN : amide:sc= -0.073 X(o=-0.073,f=-0.51) USER MOD Single : A 105 THR OG1 : rot 87:sc= 0.835 USER MOD Single : A 114 GLN : amide:sc= -0.0936 X(o=-0.094,f=-0.023) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc=0.000582 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.034 26.098 -21.364 1.00 0.00 N ATOM 2 CA GLY A 1 14.284 25.843 -20.643 1.00 0.00 C ATOM 3 C GLY A 1 13.984 25.327 -19.244 1.00 0.00 C ATOM 4 O GLY A 1 13.012 24.592 -19.068 1.00 0.00 O ATOM 0 H1 GLY A 1 13.140 25.806 -22.357 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.263 25.556 -20.924 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.811 27.113 -21.324 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.885 25.114 -21.187 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.872 26.759 -20.583 1.00 0.00 H new ATOM 8 N SER A 2 14.850 25.689 -18.291 1.00 0.00 N ATOM 9 CA SER A 2 14.970 25.280 -16.886 1.00 0.00 C ATOM 10 C SER A 2 16.114 24.276 -16.759 1.00 0.00 C ATOM 11 O SER A 2 16.315 23.454 -17.657 1.00 0.00 O ATOM 12 CB SER A 2 13.718 24.645 -16.265 1.00 0.00 C ATOM 13 OG SER A 2 12.647 25.562 -16.194 1.00 0.00 O ATOM 0 H SER A 2 15.579 26.365 -18.518 1.00 0.00 H new ATOM 0 HA SER A 2 15.143 26.206 -16.338 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.418 23.780 -16.856 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.953 24.282 -15.265 1.00 0.00 H new ATOM 0 HG SER A 2 12.250 25.671 -17.083 1.00 0.00 H new ATOM 19 N SER A 3 16.800 24.318 -15.617 1.00 0.00 N ATOM 20 CA SER A 3 17.829 23.396 -15.146 1.00 0.00 C ATOM 21 C SER A 3 17.748 23.385 -13.608 1.00 0.00 C ATOM 22 O SER A 3 16.992 24.179 -13.029 1.00 0.00 O ATOM 23 CB SER A 3 19.212 23.869 -15.631 1.00 0.00 C ATOM 24 OG SER A 3 19.265 23.903 -17.046 1.00 0.00 O ATOM 0 H SER A 3 16.634 25.063 -14.941 1.00 0.00 H new ATOM 0 HA SER A 3 17.677 22.390 -15.536 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.423 24.861 -15.231 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.984 23.201 -15.250 1.00 0.00 H new ATOM 0 HG SER A 3 20.151 24.208 -17.333 1.00 0.00 H new ATOM 30 N GLY A 4 18.510 22.526 -12.929 1.00 0.00 N ATOM 31 CA GLY A 4 18.535 22.463 -11.474 1.00 0.00 C ATOM 32 C GLY A 4 19.487 21.374 -10.999 1.00 0.00 C ATOM 33 O GLY A 4 20.638 21.662 -10.683 1.00 0.00 O ATOM 0 H GLY A 4 19.129 21.852 -13.379 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.845 23.426 -11.069 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.532 22.266 -11.096 1.00 0.00 H new ATOM 37 N SER A 5 19.014 20.128 -10.974 1.00 0.00 N ATOM 38 CA SER A 5 19.736 18.929 -10.556 1.00 0.00 C ATOM 39 C SER A 5 20.238 18.936 -9.102 1.00 0.00 C ATOM 40 O SER A 5 21.039 18.068 -8.742 1.00 0.00 O ATOM 41 CB SER A 5 20.826 18.617 -11.589 1.00 0.00 C ATOM 42 OG SER A 5 20.225 18.420 -12.861 1.00 0.00 O ATOM 0 H SER A 5 18.059 19.917 -11.263 1.00 0.00 H new ATOM 0 HA SER A 5 19.019 18.108 -10.537 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.544 19.436 -11.636 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.379 17.725 -11.293 1.00 0.00 H new ATOM 0 HG SER A 5 20.919 18.222 -13.524 1.00 0.00 H new ATOM 48 N SER A 6 19.740 19.829 -8.245 1.00 0.00 N ATOM 49 CA SER A 6 19.861 19.684 -6.799 1.00 0.00 C ATOM 50 C SER A 6 18.998 18.492 -6.346 1.00 0.00 C ATOM 51 O SER A 6 18.134 18.024 -7.092 1.00 0.00 O ATOM 52 CB SER A 6 19.412 20.999 -6.145 1.00 0.00 C ATOM 53 OG SER A 6 19.815 21.086 -4.788 1.00 0.00 O ATOM 0 H SER A 6 19.243 20.671 -8.536 1.00 0.00 H new ATOM 0 HA SER A 6 20.890 19.484 -6.500 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.828 21.840 -6.700 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.327 21.082 -6.206 1.00 0.00 H new ATOM 0 HG SER A 6 19.511 21.938 -4.410 1.00 0.00 H new ATOM 59 N GLY A 7 19.185 18.022 -5.112 1.00 0.00 N ATOM 60 CA GLY A 7 18.310 17.057 -4.450 1.00 0.00 C ATOM 61 C GLY A 7 18.162 17.458 -2.986 1.00 0.00 C ATOM 62 O GLY A 7 19.105 18.013 -2.409 1.00 0.00 O ATOM 0 H GLY A 7 19.972 18.311 -4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.335 17.035 -4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.727 16.053 -4.527 1.00 0.00 H new ATOM 66 N MET A 8 16.994 17.214 -2.381 1.00 0.00 N ATOM 67 CA MET A 8 16.677 17.731 -1.054 1.00 0.00 C ATOM 68 C MET A 8 17.321 16.855 0.020 1.00 0.00 C ATOM 69 O MET A 8 18.331 17.253 0.590 1.00 0.00 O ATOM 70 CB MET A 8 15.158 17.909 -0.868 1.00 0.00 C ATOM 71 CG MET A 8 14.821 18.715 0.395 1.00 0.00 C ATOM 72 SD MET A 8 15.513 20.394 0.394 1.00 0.00 S ATOM 73 CE MET A 8 14.651 21.118 1.812 1.00 0.00 C ATOM 0 H MET A 8 16.249 16.656 -2.798 1.00 0.00 H new ATOM 0 HA MET A 8 17.104 18.728 -0.948 1.00 0.00 H new ATOM 0 HB2 MET A 8 14.743 18.413 -1.741 1.00 0.00 H new ATOM 0 HB3 MET A 8 14.683 16.930 -0.810 1.00 0.00 H new ATOM 0 HG2 MET A 8 13.738 18.778 0.497 1.00 0.00 H new ATOM 0 HG3 MET A 8 15.193 18.179 1.268 1.00 0.00 H new ATOM 0 HE1 MET A 8 14.970 22.152 1.942 1.00 0.00 H new ATOM 0 HE2 MET A 8 13.575 21.089 1.637 1.00 0.00 H new ATOM 0 HE3 MET A 8 14.888 20.549 2.711 1.00 0.00 H new ATOM 83 N ASN A 9 16.766 15.676 0.310 1.00 0.00 N ATOM 84 CA ASN A 9 17.363 14.679 1.202 1.00 0.00 C ATOM 85 C ASN A 9 16.813 13.294 0.835 1.00 0.00 C ATOM 86 O ASN A 9 15.999 13.195 -0.090 1.00 0.00 O ATOM 87 CB ASN A 9 17.099 15.029 2.683 1.00 0.00 C ATOM 88 CG ASN A 9 18.283 14.622 3.555 1.00 0.00 C ATOM 89 OD1 ASN A 9 18.952 13.626 3.293 1.00 0.00 O ATOM 90 ND2 ASN A 9 18.636 15.408 4.551 1.00 0.00 N ATOM 0 H ASN A 9 15.870 15.381 -0.077 1.00 0.00 H new ATOM 0 HA ASN A 9 18.445 14.674 1.074 1.00 0.00 H new ATOM 0 HB2 ASN A 9 16.920 16.100 2.782 1.00 0.00 H new ATOM 0 HB3 ASN A 9 16.197 14.522 3.026 1.00 0.00 H new ATOM 0 HD21 ASN A 9 19.465 15.189 5.104 1.00 0.00 H new ATOM 0 HD22 ASN A 9 18.081 16.235 4.769 1.00 0.00 H new ATOM 97 N LYS A 10 17.243 12.223 1.511 1.00 0.00 N ATOM 98 CA LYS A 10 16.758 10.875 1.212 1.00 0.00 C ATOM 99 C LYS A 10 15.272 10.718 1.592 1.00 0.00 C ATOM 100 O LYS A 10 14.781 11.500 2.412 1.00 0.00 O ATOM 101 CB LYS A 10 17.657 9.805 1.856 1.00 0.00 C ATOM 102 CG LYS A 10 17.455 9.637 3.370 1.00 0.00 C ATOM 103 CD LYS A 10 18.306 8.496 3.940 1.00 0.00 C ATOM 104 CE LYS A 10 19.752 8.958 4.124 1.00 0.00 C ATOM 105 NZ LYS A 10 20.673 7.850 4.433 1.00 0.00 N ATOM 0 H LYS A 10 17.925 12.265 2.268 1.00 0.00 H new ATOM 0 HA LYS A 10 16.818 10.721 0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 10 17.470 8.848 1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 10 18.699 10.061 1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 10 17.712 10.568 3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 10 16.403 9.442 3.576 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.896 8.169 4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 10 18.273 7.638 3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 10 20.086 9.459 3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 10 19.794 9.693 4.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 21.638 8.222 4.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 20.374 7.386 5.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 20.658 7.159 3.656 1.00 0.00 H new ATOM 119 N PRO A 11 14.561 9.722 1.033 1.00 0.00 N ATOM 120 CA PRO A 11 13.188 9.389 1.405 1.00 0.00 C ATOM 121 C PRO A 11 13.027 8.875 2.844 1.00 0.00 C ATOM 122 O PRO A 11 13.958 8.851 3.653 1.00 0.00 O ATOM 123 CB PRO A 11 12.728 8.322 0.390 1.00 0.00 C ATOM 124 CG PRO A 11 13.694 8.457 -0.778 1.00 0.00 C ATOM 125 CD PRO A 11 14.979 8.895 -0.091 1.00 0.00 C ATOM 0 HA PRO A 11 12.580 10.293 1.378 1.00 0.00 H new ATOM 0 HB2 PRO A 11 12.767 7.322 0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.699 8.493 0.074 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.820 7.515 -1.312 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.351 9.193 -1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.555 8.034 0.249 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.617 9.456 -0.774 1.00 0.00 H new ATOM 133 N LEU A 12 11.811 8.421 3.145 1.00 0.00 N ATOM 134 CA LEU A 12 11.496 7.361 4.104 1.00 0.00 C ATOM 135 C LEU A 12 12.296 6.066 3.844 1.00 0.00 C ATOM 136 O LEU A 12 13.201 6.047 3.010 1.00 0.00 O ATOM 137 CB LEU A 12 9.981 7.246 4.367 1.00 0.00 C ATOM 138 CG LEU A 12 9.074 7.083 3.147 1.00 0.00 C ATOM 139 CD1 LEU A 12 8.619 8.403 2.513 1.00 0.00 C ATOM 140 CD2 LEU A 12 9.788 6.199 2.153 1.00 0.00 C ATOM 0 H LEU A 12 10.974 8.802 2.703 1.00 0.00 H new ATOM 0 HA LEU A 12 11.871 7.646 5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.816 6.395 5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.663 8.137 4.909 1.00 0.00 H new ATOM 0 HG LEU A 12 8.144 6.621 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.980 8.193 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.062 8.986 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.491 8.969 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.163 6.065 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.730 6.664 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.988 5.228 2.607 1.00 0.00 H new ATOM 152 N THR A 13 12.017 4.988 4.575 1.00 0.00 N ATOM 153 CA THR A 13 12.778 3.743 4.517 1.00 0.00 C ATOM 154 C THR A 13 11.823 2.549 4.521 1.00 0.00 C ATOM 155 O THR A 13 10.775 2.634 5.164 1.00 0.00 O ATOM 156 CB THR A 13 13.750 3.680 5.707 1.00 0.00 C ATOM 157 OG1 THR A 13 13.081 4.021 6.905 1.00 0.00 O ATOM 158 CG2 THR A 13 14.911 4.653 5.520 1.00 0.00 C ATOM 0 H THR A 13 11.241 4.956 5.236 1.00 0.00 H new ATOM 0 HA THR A 13 13.358 3.708 3.595 1.00 0.00 H new ATOM 0 HB THR A 13 14.132 2.661 5.761 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.710 3.976 7.655 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.582 4.587 6.376 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.456 4.399 4.611 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.525 5.669 5.439 1.00 0.00 H new ATOM 166 N PRO A 14 12.183 1.425 3.874 1.00 0.00 N ATOM 167 CA PRO A 14 11.296 0.285 3.648 1.00 0.00 C ATOM 168 C PRO A 14 10.794 -0.406 4.920 1.00 0.00 C ATOM 169 O PRO A 14 9.828 -1.165 4.857 1.00 0.00 O ATOM 170 CB PRO A 14 12.068 -0.692 2.748 1.00 0.00 C ATOM 171 CG PRO A 14 13.523 -0.233 2.827 1.00 0.00 C ATOM 172 CD PRO A 14 13.417 1.253 3.131 1.00 0.00 C ATOM 0 HA PRO A 14 10.380 0.645 3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.958 -1.719 3.095 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.699 -0.661 1.723 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.068 -0.763 3.608 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.051 -0.413 1.891 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.273 1.594 3.713 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.403 1.839 2.212 1.00 0.00 H new ATOM 180 N SER A 15 11.400 -0.169 6.076 1.00 0.00 N ATOM 181 CA SER A 15 11.039 -0.806 7.336 1.00 0.00 C ATOM 182 C SER A 15 10.292 0.161 8.274 1.00 0.00 C ATOM 183 O SER A 15 9.970 -0.200 9.406 1.00 0.00 O ATOM 184 CB SER A 15 12.332 -1.390 7.914 1.00 0.00 C ATOM 185 OG SER A 15 13.375 -0.430 7.851 1.00 0.00 O ATOM 0 H SER A 15 12.175 0.488 6.166 1.00 0.00 H new ATOM 0 HA SER A 15 10.322 -1.614 7.192 1.00 0.00 H new ATOM 0 HB2 SER A 15 12.171 -1.696 8.948 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.616 -2.283 7.358 1.00 0.00 H new ATOM 0 HG SER A 15 14.196 -0.814 8.225 1.00 0.00 H new ATOM 191 N THR A 16 10.007 1.390 7.831 1.00 0.00 N ATOM 192 CA THR A 16 9.151 2.346 8.531 1.00 0.00 C ATOM 193 C THR A 16 7.677 1.998 8.292 1.00 0.00 C ATOM 194 O THR A 16 7.290 1.659 7.175 1.00 0.00 O ATOM 195 CB THR A 16 9.564 3.741 8.034 1.00 0.00 C ATOM 196 OG1 THR A 16 10.872 3.986 8.517 1.00 0.00 O ATOM 197 CG2 THR A 16 8.664 4.875 8.508 1.00 0.00 C ATOM 0 H THR A 16 10.376 1.754 6.953 1.00 0.00 H new ATOM 0 HA THR A 16 9.272 2.316 9.614 1.00 0.00 H new ATOM 0 HB THR A 16 9.492 3.730 6.946 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.501 3.998 7.766 1.00 0.00 H new ATOM 0 HG21 THR A 16 9.030 5.821 8.110 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.647 4.703 8.157 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.670 4.913 9.597 1.00 0.00 H new ATOM 205 N TYR A 17 6.849 2.056 9.341 1.00 0.00 N ATOM 206 CA TYR A 17 5.433 1.711 9.292 1.00 0.00 C ATOM 207 C TYR A 17 4.644 2.736 8.475 1.00 0.00 C ATOM 208 O TYR A 17 4.974 3.923 8.489 1.00 0.00 O ATOM 209 CB TYR A 17 4.889 1.674 10.723 1.00 0.00 C ATOM 210 CG TYR A 17 5.599 0.718 11.664 1.00 0.00 C ATOM 211 CD1 TYR A 17 5.749 -0.644 11.343 1.00 0.00 C ATOM 212 CD2 TYR A 17 6.126 1.207 12.872 1.00 0.00 C ATOM 213 CE1 TYR A 17 6.444 -1.500 12.216 1.00 0.00 C ATOM 214 CE2 TYR A 17 6.831 0.362 13.743 1.00 0.00 C ATOM 215 CZ TYR A 17 6.993 -1.001 13.415 1.00 0.00 C ATOM 216 OH TYR A 17 7.627 -1.845 14.268 1.00 0.00 O ATOM 0 H TYR A 17 7.157 2.352 10.267 1.00 0.00 H new ATOM 0 HA TYR A 17 5.323 0.738 8.813 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.946 2.679 11.142 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.834 1.404 10.686 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.330 -1.032 10.426 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.987 2.246 13.133 1.00 0.00 H new ATOM 0 HE1 TYR A 17 6.558 -2.545 11.967 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.247 0.753 14.660 1.00 0.00 H new ATOM 0 HH TYR A 17 7.948 -1.343 15.046 1.00 0.00 H new ATOM 226 N ILE A 18 3.538 2.320 7.851 1.00 0.00 N ATOM 227 CA ILE A 18 2.747 3.174 6.951 1.00 0.00 C ATOM 228 C ILE A 18 2.257 4.438 7.653 1.00 0.00 C ATOM 229 O ILE A 18 2.354 5.546 7.128 1.00 0.00 O ATOM 230 CB ILE A 18 1.512 2.439 6.376 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.679 0.938 6.137 1.00 0.00 C ATOM 232 CG2 ILE A 18 1.129 3.122 5.060 1.00 0.00 C ATOM 233 CD1 ILE A 18 2.678 0.690 5.023 1.00 0.00 C ATOM 0 H ILE A 18 3.162 1.378 7.954 1.00 0.00 H new ATOM 0 HA ILE A 18 3.423 3.438 6.137 1.00 0.00 H new ATOM 0 HB ILE A 18 0.735 2.511 7.138 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.017 0.453 7.053 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.717 0.495 5.878 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.260 2.624 4.631 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.891 4.169 5.249 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.964 3.060 4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.787 -0.383 4.864 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.323 1.159 4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.643 1.116 5.298 1.00 0.00 H new ATOM 245 N ARG A 19 1.706 4.267 8.853 1.00 0.00 N ATOM 246 CA ARG A 19 1.157 5.354 9.651 1.00 0.00 C ATOM 247 C ARG A 19 2.239 6.336 10.101 1.00 0.00 C ATOM 248 O ARG A 19 1.937 7.480 10.445 1.00 0.00 O ATOM 249 CB ARG A 19 0.410 4.731 10.834 1.00 0.00 C ATOM 250 CG ARG A 19 1.363 4.079 11.845 1.00 0.00 C ATOM 251 CD ARG A 19 0.539 3.338 12.889 1.00 0.00 C ATOM 252 NE ARG A 19 1.405 2.750 13.915 1.00 0.00 N ATOM 253 CZ ARG A 19 2.031 3.403 14.895 1.00 0.00 C ATOM 254 NH1 ARG A 19 1.753 4.678 15.148 1.00 0.00 N ATOM 255 NH2 ARG A 19 2.960 2.781 15.604 1.00 0.00 N ATOM 0 H ARG A 19 1.629 3.355 9.302 1.00 0.00 H new ATOM 0 HA ARG A 19 0.466 5.946 9.051 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.178 5.500 11.335 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.292 3.983 10.465 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.037 3.389 11.337 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.983 4.838 12.323 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.169 4.024 13.354 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.046 2.554 12.408 1.00 0.00 H new ATOM 0 HE ARG A 19 1.543 1.740 13.876 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.054 5.168 14.590 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.239 5.166 15.900 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.192 1.809 15.399 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.443 3.274 16.355 1.00 0.00 H new ATOM 269 N ASN A 20 3.504 5.906 10.144 1.00 0.00 N ATOM 270 CA ASN A 20 4.608 6.772 10.537 1.00 0.00 C ATOM 271 C ASN A 20 4.827 7.844 9.463 1.00 0.00 C ATOM 272 O ASN A 20 5.240 8.957 9.785 1.00 0.00 O ATOM 273 CB ASN A 20 5.871 5.928 10.782 1.00 0.00 C ATOM 274 CG ASN A 20 6.930 6.667 11.589 1.00 0.00 C ATOM 275 OD1 ASN A 20 7.214 7.833 11.369 1.00 0.00 O ATOM 276 ND2 ASN A 20 7.527 6.037 12.579 1.00 0.00 N ATOM 0 H ASN A 20 3.785 4.954 9.908 1.00 0.00 H new ATOM 0 HA ASN A 20 4.371 7.283 11.470 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.595 5.013 11.306 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.295 5.630 9.823 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.217 6.524 13.151 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.299 5.062 12.774 1.00 0.00 H new ATOM 283 N LEU A 21 4.486 7.554 8.202 1.00 0.00 N ATOM 284 CA LEU A 21 4.682 8.478 7.092 1.00 0.00 C ATOM 285 C LEU A 21 3.925 9.784 7.345 1.00 0.00 C ATOM 286 O LEU A 21 2.819 9.782 7.900 1.00 0.00 O ATOM 287 CB LEU A 21 4.266 7.836 5.754 1.00 0.00 C ATOM 288 CG LEU A 21 4.970 6.510 5.352 1.00 0.00 C ATOM 289 CD1 LEU A 21 4.829 6.291 3.840 1.00 0.00 C ATOM 290 CD2 LEU A 21 6.458 6.591 5.722 1.00 0.00 C ATOM 0 H LEU A 21 4.065 6.666 7.927 1.00 0.00 H new ATOM 0 HA LEU A 21 5.745 8.711 7.023 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.192 7.651 5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.440 8.564 4.962 1.00 0.00 H new ATOM 0 HG LEU A 21 4.507 5.677 5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.323 5.361 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.773 6.234 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.291 7.122 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.954 5.662 5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.920 7.424 5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.558 6.745 6.796 1.00 0.00 H new ATOM 302 N ASN A 22 4.536 10.918 6.986 1.00 0.00 N ATOM 303 CA ASN A 22 3.931 12.226 7.234 1.00 0.00 C ATOM 304 C ASN A 22 2.696 12.413 6.347 1.00 0.00 C ATOM 305 O ASN A 22 2.608 11.827 5.267 1.00 0.00 O ATOM 306 CB ASN A 22 4.932 13.374 6.989 1.00 0.00 C ATOM 307 CG ASN A 22 4.634 14.592 7.865 1.00 0.00 C ATOM 308 OD1 ASN A 22 3.531 14.754 8.377 1.00 0.00 O ATOM 309 ND2 ASN A 22 5.589 15.476 8.074 1.00 0.00 N ATOM 0 H ASN A 22 5.445 10.954 6.525 1.00 0.00 H new ATOM 0 HA ASN A 22 3.635 12.259 8.282 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.944 13.022 7.190 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.899 13.666 5.939 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.410 16.292 8.660 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.507 15.345 7.650 1.00 0.00 H new ATOM 316 N VAL A 23 1.780 13.297 6.742 1.00 0.00 N ATOM 317 CA VAL A 23 0.583 13.631 5.998 1.00 0.00 C ATOM 318 C VAL A 23 0.918 14.113 4.584 1.00 0.00 C ATOM 319 O VAL A 23 0.191 13.784 3.655 1.00 0.00 O ATOM 320 CB VAL A 23 -0.244 14.634 6.817 1.00 0.00 C ATOM 321 CG1 VAL A 23 0.447 15.988 6.991 1.00 0.00 C ATOM 322 CG2 VAL A 23 -1.628 14.826 6.211 1.00 0.00 C ATOM 0 H VAL A 23 1.861 13.813 7.618 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.029 12.741 5.849 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.343 14.198 7.811 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.190 16.649 7.578 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.397 15.848 7.506 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.627 16.433 6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.192 15.541 6.811 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.530 15.203 5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.154 13.871 6.195 1.00 0.00 H new ATOM 332 N GLY A 24 2.034 14.824 4.386 1.00 0.00 N ATOM 333 CA GLY A 24 2.438 15.260 3.060 1.00 0.00 C ATOM 334 C GLY A 24 2.682 14.062 2.145 1.00 0.00 C ATOM 335 O GLY A 24 2.140 14.017 1.046 1.00 0.00 O ATOM 0 H GLY A 24 2.669 15.106 5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.666 15.899 2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.345 15.860 3.130 1.00 0.00 H new ATOM 339 N ILE A 25 3.435 13.059 2.604 1.00 0.00 N ATOM 340 CA ILE A 25 3.678 11.825 1.872 1.00 0.00 C ATOM 341 C ILE A 25 2.351 11.078 1.681 1.00 0.00 C ATOM 342 O ILE A 25 2.111 10.584 0.583 1.00 0.00 O ATOM 343 CB ILE A 25 4.752 10.984 2.600 1.00 0.00 C ATOM 344 CG1 ILE A 25 6.127 11.695 2.623 1.00 0.00 C ATOM 345 CG2 ILE A 25 4.948 9.628 1.897 1.00 0.00 C ATOM 346 CD1 ILE A 25 6.348 12.747 3.711 1.00 0.00 C ATOM 0 H ILE A 25 3.899 13.088 3.512 1.00 0.00 H new ATOM 0 HA ILE A 25 4.072 12.039 0.878 1.00 0.00 H new ATOM 0 HB ILE A 25 4.393 10.847 3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.900 10.934 2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.277 12.173 1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.708 9.051 2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.007 9.077 1.900 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.268 9.794 0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.349 13.166 3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.610 13.542 3.604 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.242 12.284 4.692 1.00 0.00 H new ATOM 358 N LEU A 26 1.471 11.016 2.689 1.00 0.00 N ATOM 359 CA LEU A 26 0.125 10.457 2.539 1.00 0.00 C ATOM 360 C LEU A 26 -0.621 11.151 1.395 1.00 0.00 C ATOM 361 O LEU A 26 -1.246 10.461 0.591 1.00 0.00 O ATOM 362 CB LEU A 26 -0.668 10.563 3.857 1.00 0.00 C ATOM 363 CG LEU A 26 -0.436 9.395 4.832 1.00 0.00 C ATOM 364 CD1 LEU A 26 -0.859 9.775 6.256 1.00 0.00 C ATOM 365 CD2 LEU A 26 -1.244 8.171 4.390 1.00 0.00 C ATOM 0 H LEU A 26 1.674 11.352 3.630 1.00 0.00 H new ATOM 0 HA LEU A 26 0.222 9.400 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.400 11.495 4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.731 10.621 3.624 1.00 0.00 H new ATOM 0 HG LEU A 26 0.629 9.163 4.825 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.685 8.932 6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.275 10.632 6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.918 10.032 6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.072 7.351 5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.305 8.421 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.930 7.870 3.391 1.00 0.00 H new ATOM 377 N ARG A 27 -0.538 12.481 1.276 1.00 0.00 N ATOM 378 CA ARG A 27 -1.111 13.233 0.157 1.00 0.00 C ATOM 379 C ARG A 27 -0.463 12.819 -1.156 1.00 0.00 C ATOM 380 O ARG A 27 -1.184 12.548 -2.106 1.00 0.00 O ATOM 381 CB ARG A 27 -1.005 14.744 0.346 1.00 0.00 C ATOM 382 CG ARG A 27 -1.712 15.237 1.618 1.00 0.00 C ATOM 383 CD ARG A 27 -2.610 16.422 1.291 1.00 0.00 C ATOM 384 NE ARG A 27 -3.927 16.024 0.770 1.00 0.00 N ATOM 385 CZ ARG A 27 -4.715 16.750 -0.031 1.00 0.00 C ATOM 386 NH1 ARG A 27 -4.348 17.965 -0.425 1.00 0.00 N ATOM 387 NH2 ARG A 27 -5.872 16.253 -0.441 1.00 0.00 N ATOM 0 H ARG A 27 -0.066 13.070 1.962 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.173 12.988 0.127 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.047 15.027 0.388 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.436 15.245 -0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.304 14.430 2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.973 15.526 2.365 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.748 17.024 2.189 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.112 17.055 0.557 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.273 15.105 1.046 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.457 18.354 -0.117 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.958 18.509 -1.036 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.159 15.320 -0.146 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.476 16.803 -1.052 1.00 0.00 H new ATOM 401 N LYS A 28 0.871 12.757 -1.230 1.00 0.00 N ATOM 402 CA LYS A 28 1.585 12.363 -2.450 1.00 0.00 C ATOM 403 C LYS A 28 1.146 10.983 -2.916 1.00 0.00 C ATOM 404 O LYS A 28 0.937 10.761 -4.101 1.00 0.00 O ATOM 405 CB LYS A 28 3.106 12.372 -2.245 1.00 0.00 C ATOM 406 CG LYS A 28 3.653 13.765 -1.931 1.00 0.00 C ATOM 407 CD LYS A 28 5.123 13.922 -2.344 1.00 0.00 C ATOM 408 CE LYS A 28 5.291 14.288 -3.830 1.00 0.00 C ATOM 409 NZ LYS A 28 5.600 15.722 -4.031 1.00 0.00 N ATOM 0 H LYS A 28 1.486 12.978 -0.447 1.00 0.00 H new ATOM 0 HA LYS A 28 1.334 13.098 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.362 11.694 -1.431 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.591 11.990 -3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.051 14.514 -2.447 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.556 13.959 -0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.587 14.694 -1.730 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.654 12.992 -2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.089 13.684 -4.261 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.376 14.038 -4.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.703 15.916 -5.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.827 16.301 -3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.487 15.958 -3.542 1.00 0.00 H new ATOM 423 N LEU A 29 1.027 10.042 -1.988 1.00 0.00 N ATOM 424 CA LEU A 29 0.490 8.720 -2.276 1.00 0.00 C ATOM 425 C LEU A 29 -0.951 8.815 -2.758 1.00 0.00 C ATOM 426 O LEU A 29 -1.269 8.237 -3.792 1.00 0.00 O ATOM 427 CB LEU A 29 0.613 7.821 -1.039 1.00 0.00 C ATOM 428 CG LEU A 29 1.914 7.004 -1.015 1.00 0.00 C ATOM 429 CD1 LEU A 29 1.842 5.854 -2.029 1.00 0.00 C ATOM 430 CD2 LEU A 29 3.191 7.816 -1.264 1.00 0.00 C ATOM 0 H LEU A 29 1.300 10.175 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 29 1.072 8.270 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.562 8.438 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.237 7.140 -1.006 1.00 0.00 H new ATOM 0 HG LEU A 29 1.988 6.625 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.771 5.285 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.007 5.199 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.696 6.260 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.056 7.154 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.136 8.288 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.289 8.584 -0.496 1.00 0.00 H new ATOM 442 N SER A 30 -1.807 9.552 -2.049 1.00 0.00 N ATOM 443 CA SER A 30 -3.203 9.749 -2.431 1.00 0.00 C ATOM 444 C SER A 30 -3.304 10.330 -3.842 1.00 0.00 C ATOM 445 O SER A 30 -4.179 9.933 -4.601 1.00 0.00 O ATOM 446 CB SER A 30 -3.925 10.604 -1.379 1.00 0.00 C ATOM 447 OG SER A 30 -3.773 10.050 -0.075 1.00 0.00 O ATOM 0 H SER A 30 -1.548 10.032 -1.187 1.00 0.00 H new ATOM 0 HA SER A 30 -3.708 8.784 -2.460 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.527 11.619 -1.395 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.984 10.673 -1.627 1.00 0.00 H new ATOM 0 HG SER A 30 -2.963 10.411 0.341 1.00 0.00 H new ATOM 453 N ASP A 31 -2.376 11.190 -4.251 1.00 0.00 N ATOM 454 CA ASP A 31 -2.295 11.747 -5.597 1.00 0.00 C ATOM 455 C ASP A 31 -2.331 10.641 -6.659 1.00 0.00 C ATOM 456 O ASP A 31 -3.039 10.768 -7.660 1.00 0.00 O ATOM 457 CB ASP A 31 -1.002 12.568 -5.698 1.00 0.00 C ATOM 458 CG ASP A 31 -1.039 13.706 -6.705 1.00 0.00 C ATOM 459 OD1 ASP A 31 -1.828 13.700 -7.666 1.00 0.00 O ATOM 460 OD2 ASP A 31 -0.273 14.674 -6.474 1.00 0.00 O ATOM 0 H ASP A 31 -1.637 11.529 -3.635 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.157 12.388 -5.783 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.774 12.980 -4.715 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.184 11.898 -5.960 1.00 0.00 H new ATOM 465 N PHE A 32 -1.604 9.540 -6.418 1.00 0.00 N ATOM 466 CA PHE A 32 -1.336 8.476 -7.384 1.00 0.00 C ATOM 467 C PHE A 32 -2.189 7.215 -7.166 1.00 0.00 C ATOM 468 O PHE A 32 -2.366 6.455 -8.118 1.00 0.00 O ATOM 469 CB PHE A 32 0.160 8.096 -7.331 1.00 0.00 C ATOM 470 CG PHE A 32 1.193 9.211 -7.469 1.00 0.00 C ATOM 471 CD1 PHE A 32 0.896 10.443 -8.089 1.00 0.00 C ATOM 472 CD2 PHE A 32 2.492 9.000 -6.971 1.00 0.00 C ATOM 473 CE1 PHE A 32 1.863 11.460 -8.152 1.00 0.00 C ATOM 474 CE2 PHE A 32 3.472 10.003 -7.073 1.00 0.00 C ATOM 475 CZ PHE A 32 3.155 11.244 -7.646 1.00 0.00 C ATOM 0 H PHE A 32 -1.173 9.364 -5.510 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.606 8.872 -8.363 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.341 7.590 -6.383 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.347 7.369 -8.121 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.082 10.605 -8.518 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.739 8.057 -6.505 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.611 12.414 -8.592 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.472 9.818 -6.709 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.898 12.026 -7.697 1.00 0.00 H new ATOM 485 N ILE A 33 -2.671 6.960 -5.944 1.00 0.00 N ATOM 486 CA ILE A 33 -3.395 5.741 -5.548 1.00 0.00 C ATOM 487 C ILE A 33 -4.921 5.944 -5.485 1.00 0.00 C ATOM 488 O ILE A 33 -5.681 4.981 -5.596 1.00 0.00 O ATOM 489 CB ILE A 33 -2.797 5.249 -4.208 1.00 0.00 C ATOM 490 CG1 ILE A 33 -1.295 4.906 -4.310 1.00 0.00 C ATOM 491 CG2 ILE A 33 -3.504 4.042 -3.584 1.00 0.00 C ATOM 492 CD1 ILE A 33 -0.993 3.730 -5.244 1.00 0.00 C ATOM 0 H ILE A 33 -2.565 7.620 -5.173 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.261 4.974 -6.310 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.952 6.109 -3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.754 5.785 -4.661 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.916 4.674 -3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.011 3.774 -2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.546 4.293 -3.385 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.459 3.198 -4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.082 3.548 -5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.505 2.838 -4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.340 3.966 -6.250 1.00 0.00 H new ATOM 504 N ASP A 34 -5.380 7.181 -5.297 1.00 0.00 N ATOM 505 CA ASP A 34 -6.789 7.569 -5.354 1.00 0.00 C ATOM 506 C ASP A 34 -7.387 7.402 -6.760 1.00 0.00 C ATOM 507 O ASP A 34 -8.505 6.889 -6.846 1.00 0.00 O ATOM 508 CB ASP A 34 -6.895 9.006 -4.845 1.00 0.00 C ATOM 509 CG ASP A 34 -8.291 9.545 -4.582 1.00 0.00 C ATOM 510 OD1 ASP A 34 -8.976 9.927 -5.552 1.00 0.00 O ATOM 511 OD2 ASP A 34 -8.565 9.795 -3.382 1.00 0.00 O ATOM 0 H ASP A 34 -4.761 7.966 -5.094 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.379 6.907 -4.720 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.324 9.080 -3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.411 9.659 -5.572 1.00 0.00 H new ATOM 516 N PRO A 35 -6.699 7.762 -7.870 1.00 0.00 N ATOM 517 CA PRO A 35 -7.151 7.394 -9.207 1.00 0.00 C ATOM 518 C PRO A 35 -6.919 5.896 -9.466 1.00 0.00 C ATOM 519 O PRO A 35 -6.330 5.192 -8.644 1.00 0.00 O ATOM 520 CB PRO A 35 -6.329 8.275 -10.157 1.00 0.00 C ATOM 521 CG PRO A 35 -5.001 8.413 -9.438 1.00 0.00 C ATOM 522 CD PRO A 35 -5.430 8.481 -7.977 1.00 0.00 C ATOM 0 HA PRO A 35 -8.220 7.552 -9.346 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.211 7.811 -11.136 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.802 9.244 -10.319 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.344 7.565 -9.630 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.463 9.309 -9.746 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.676 8.030 -7.332 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.545 9.516 -7.657 1.00 0.00 H new ATOM 530 N GLN A 36 -7.340 5.414 -10.642 1.00 0.00 N ATOM 531 CA GLN A 36 -7.014 4.088 -11.183 1.00 0.00 C ATOM 532 C GLN A 36 -7.492 2.922 -10.292 1.00 0.00 C ATOM 533 O GLN A 36 -7.107 1.773 -10.527 1.00 0.00 O ATOM 534 CB GLN A 36 -5.499 4.019 -11.508 1.00 0.00 C ATOM 535 CG GLN A 36 -5.076 4.999 -12.617 1.00 0.00 C ATOM 536 CD GLN A 36 -3.561 5.149 -12.773 1.00 0.00 C ATOM 537 OE1 GLN A 36 -2.768 4.223 -12.594 1.00 0.00 O ATOM 538 NE2 GLN A 36 -3.118 6.339 -13.134 1.00 0.00 N ATOM 0 H GLN A 36 -7.938 5.956 -11.265 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.574 3.959 -12.109 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.929 4.234 -10.604 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.244 3.004 -11.812 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.497 4.662 -13.565 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.508 5.978 -12.407 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.775 7.105 -13.282 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.118 6.493 -13.265 1.00 0.00 H new ATOM 547 N GLU A 37 -8.336 3.184 -9.283 1.00 0.00 N ATOM 548 CA GLU A 37 -8.677 2.250 -8.208 1.00 0.00 C ATOM 549 C GLU A 37 -7.413 1.654 -7.557 1.00 0.00 C ATOM 550 O GLU A 37 -7.418 0.524 -7.063 1.00 0.00 O ATOM 551 CB GLU A 37 -9.740 1.237 -8.698 1.00 0.00 C ATOM 552 CG GLU A 37 -11.142 1.852 -8.574 1.00 0.00 C ATOM 553 CD GLU A 37 -12.256 1.009 -9.206 1.00 0.00 C ATOM 554 OE1 GLU A 37 -12.436 -0.181 -8.847 1.00 0.00 O ATOM 555 OE2 GLU A 37 -13.059 1.543 -10.009 1.00 0.00 O ATOM 0 H GLU A 37 -8.813 4.081 -9.193 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.157 2.778 -7.384 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.544 0.963 -9.735 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.681 0.321 -8.110 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.369 2.001 -7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.137 2.837 -9.041 1.00 0.00 H new ATOM 562 N GLY A 38 -6.325 2.433 -7.513 1.00 0.00 N ATOM 563 CA GLY A 38 -5.047 2.040 -6.934 1.00 0.00 C ATOM 564 C GLY A 38 -5.206 1.537 -5.501 1.00 0.00 C ATOM 565 O GLY A 38 -4.610 0.527 -5.127 1.00 0.00 O ATOM 0 H GLY A 38 -6.316 3.380 -7.892 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.595 1.259 -7.546 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.365 2.890 -6.948 1.00 0.00 H new ATOM 569 N TRP A 39 -6.021 2.212 -4.690 1.00 0.00 N ATOM 570 CA TRP A 39 -6.270 1.828 -3.313 1.00 0.00 C ATOM 571 C TRP A 39 -7.007 0.491 -3.240 1.00 0.00 C ATOM 572 O TRP A 39 -6.677 -0.329 -2.390 1.00 0.00 O ATOM 573 CB TRP A 39 -7.087 2.907 -2.609 1.00 0.00 C ATOM 574 CG TRP A 39 -8.437 3.151 -3.198 1.00 0.00 C ATOM 575 CD1 TRP A 39 -8.704 3.934 -4.266 1.00 0.00 C ATOM 576 CD2 TRP A 39 -9.696 2.515 -2.831 1.00 0.00 C ATOM 577 NE1 TRP A 39 -10.037 3.821 -4.590 1.00 0.00 N ATOM 578 CE2 TRP A 39 -10.697 2.962 -3.739 1.00 0.00 C ATOM 579 CE3 TRP A 39 -10.068 1.534 -1.884 1.00 0.00 C ATOM 580 CZ2 TRP A 39 -12.007 2.475 -3.695 1.00 0.00 C ATOM 581 CZ3 TRP A 39 -11.383 1.039 -1.846 1.00 0.00 C ATOM 582 CH2 TRP A 39 -12.363 1.541 -2.712 1.00 0.00 C ATOM 0 H TRP A 39 -6.529 3.048 -4.980 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.308 1.718 -2.813 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.207 2.628 -1.562 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.524 3.840 -2.627 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.985 4.551 -4.784 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.482 4.313 -5.365 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -9.335 1.161 -1.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -12.739 2.816 -4.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.641 0.263 -1.141 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -13.387 1.210 -2.623 1.00 0.00 H new ATOM 593 N LYS A 40 -7.988 0.234 -4.118 1.00 0.00 N ATOM 594 CA LYS A 40 -8.680 -1.056 -4.164 1.00 0.00 C ATOM 595 C LYS A 40 -7.669 -2.146 -4.462 1.00 0.00 C ATOM 596 O LYS A 40 -7.715 -3.209 -3.845 1.00 0.00 O ATOM 597 CB LYS A 40 -9.790 -1.080 -5.234 1.00 0.00 C ATOM 598 CG LYS A 40 -11.113 -0.501 -4.767 1.00 0.00 C ATOM 599 CD LYS A 40 -12.307 -1.038 -5.556 1.00 0.00 C ATOM 600 CE LYS A 40 -13.426 0.004 -5.704 1.00 0.00 C ATOM 601 NZ LYS A 40 -14.332 -0.342 -6.817 1.00 0.00 N ATOM 0 H LYS A 40 -8.319 0.909 -4.808 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.153 -1.221 -3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.450 -0.523 -6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.949 -2.110 -5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.250 -0.728 -3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.082 0.585 -4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.974 -1.353 -6.545 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.701 -1.923 -5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.993 0.067 -4.775 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.990 0.988 -5.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.068 0.387 -6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.789 -0.395 -7.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.778 -1.263 -6.628 1.00 0.00 H new ATOM 615 N LYS A 41 -6.749 -1.873 -5.386 1.00 0.00 N ATOM 616 CA LYS A 41 -5.750 -2.827 -5.825 1.00 0.00 C ATOM 617 C LYS A 41 -4.816 -3.135 -4.664 1.00 0.00 C ATOM 618 O LYS A 41 -4.564 -4.305 -4.394 1.00 0.00 O ATOM 619 CB LYS A 41 -5.017 -2.274 -7.040 1.00 0.00 C ATOM 620 CG LYS A 41 -5.843 -2.404 -8.320 1.00 0.00 C ATOM 621 CD LYS A 41 -5.312 -1.380 -9.327 1.00 0.00 C ATOM 622 CE LYS A 41 -6.028 -1.418 -10.677 1.00 0.00 C ATOM 623 NZ LYS A 41 -5.466 -2.400 -11.629 1.00 0.00 N ATOM 0 H LYS A 41 -6.682 -0.969 -5.853 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.215 -3.764 -6.132 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.775 -1.225 -6.870 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.072 -2.803 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.764 -3.413 -8.724 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.898 -2.225 -8.113 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.410 -0.381 -8.902 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.248 -1.557 -9.485 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.080 -1.649 -10.512 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.986 -0.426 -11.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.003 -2.367 -12.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.469 -2.170 -11.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.530 -3.355 -11.221 1.00 0.00 H new ATOM 637 N LEU A 42 -4.321 -2.107 -3.970 1.00 0.00 N ATOM 638 CA LEU A 42 -3.491 -2.237 -2.792 1.00 0.00 C ATOM 639 C LEU A 42 -4.221 -3.035 -1.712 1.00 0.00 C ATOM 640 O LEU A 42 -3.693 -4.038 -1.247 1.00 0.00 O ATOM 641 CB LEU A 42 -3.108 -0.814 -2.356 1.00 0.00 C ATOM 642 CG LEU A 42 -1.982 -0.670 -1.322 1.00 0.00 C ATOM 643 CD1 LEU A 42 -2.529 -0.389 0.075 1.00 0.00 C ATOM 644 CD2 LEU A 42 -0.957 -1.806 -1.305 1.00 0.00 C ATOM 0 H LEU A 42 -4.498 -1.136 -4.228 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.579 -2.799 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.821 -0.255 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.999 -0.334 -1.952 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.419 0.200 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.701 -0.294 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.102 0.538 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.175 -1.210 0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.206 -1.607 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.460 -2.747 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.473 -1.874 -2.279 1.00 0.00 H new ATOM 656 N ALA A 43 -5.449 -2.641 -1.359 1.00 0.00 N ATOM 657 CA ALA A 43 -6.269 -3.296 -0.347 1.00 0.00 C ATOM 658 C ALA A 43 -6.368 -4.794 -0.600 1.00 0.00 C ATOM 659 O ALA A 43 -6.057 -5.592 0.280 1.00 0.00 O ATOM 660 CB ALA A 43 -7.668 -2.673 -0.302 1.00 0.00 C ATOM 0 H ALA A 43 -5.908 -1.835 -1.784 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.786 -3.147 0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.265 -3.175 0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.587 -1.613 -0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.148 -2.787 -1.274 1.00 0.00 H new ATOM 666 N VAL A 44 -6.801 -5.189 -1.795 1.00 0.00 N ATOM 667 CA VAL A 44 -7.031 -6.567 -2.129 1.00 0.00 C ATOM 668 C VAL A 44 -5.716 -7.344 -2.302 1.00 0.00 C ATOM 669 O VAL A 44 -5.690 -8.563 -2.131 1.00 0.00 O ATOM 670 CB VAL A 44 -7.974 -6.536 -3.347 1.00 0.00 C ATOM 671 CG1 VAL A 44 -7.299 -6.309 -4.708 1.00 0.00 C ATOM 672 CG2 VAL A 44 -8.822 -7.785 -3.316 1.00 0.00 C ATOM 0 H VAL A 44 -7.000 -4.543 -2.559 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.512 -7.132 -1.330 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.597 -5.647 -3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.055 -6.306 -5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.779 -5.351 -4.701 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.583 -7.109 -4.897 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.499 -7.786 -4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.178 -8.663 -3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.402 -7.808 -2.393 1.00 0.00 H new ATOM 682 N ALA A 45 -4.598 -6.661 -2.571 1.00 0.00 N ATOM 683 CA ALA A 45 -3.281 -7.277 -2.592 1.00 0.00 C ATOM 684 C ALA A 45 -2.751 -7.543 -1.177 1.00 0.00 C ATOM 685 O ALA A 45 -1.811 -8.321 -1.027 1.00 0.00 O ATOM 686 CB ALA A 45 -2.321 -6.381 -3.381 1.00 0.00 C ATOM 0 H ALA A 45 -4.589 -5.663 -2.780 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.358 -8.248 -3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.331 -6.837 -3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.687 -6.265 -4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.261 -5.403 -2.903 1.00 0.00 H new ATOM 692 N ILE A 46 -3.312 -6.936 -0.129 1.00 0.00 N ATOM 693 CA ILE A 46 -2.845 -7.119 1.239 1.00 0.00 C ATOM 694 C ILE A 46 -3.464 -8.404 1.797 1.00 0.00 C ATOM 695 O ILE A 46 -4.652 -8.463 2.135 1.00 0.00 O ATOM 696 CB ILE A 46 -3.140 -5.858 2.076 1.00 0.00 C ATOM 697 CG1 ILE A 46 -2.225 -4.705 1.621 1.00 0.00 C ATOM 698 CG2 ILE A 46 -2.887 -6.130 3.561 1.00 0.00 C ATOM 699 CD1 ILE A 46 -2.784 -3.319 1.940 1.00 0.00 C ATOM 0 H ILE A 46 -4.107 -6.302 -0.210 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.763 -7.242 1.277 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.186 -5.586 1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.252 -4.814 2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.062 -4.784 0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.100 -5.230 4.137 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.535 -6.939 3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.845 -6.416 3.706 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.087 -2.557 1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.744 -3.190 1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.920 -3.221 3.017 1.00 0.00 H new ATOM 711 N LYS A 47 -2.649 -9.454 1.901 1.00 0.00 N ATOM 712 CA LYS A 47 -3.029 -10.695 2.564 1.00 0.00 C ATOM 713 C LYS A 47 -2.429 -10.696 3.973 1.00 0.00 C ATOM 714 O LYS A 47 -1.531 -9.911 4.277 1.00 0.00 O ATOM 715 CB LYS A 47 -2.575 -11.899 1.716 1.00 0.00 C ATOM 716 CG LYS A 47 -3.489 -12.198 0.506 1.00 0.00 C ATOM 717 CD LYS A 47 -3.397 -11.243 -0.703 1.00 0.00 C ATOM 718 CE LYS A 47 -2.069 -11.344 -1.475 1.00 0.00 C ATOM 719 NZ LYS A 47 -2.190 -12.063 -2.760 1.00 0.00 N ATOM 0 H LYS A 47 -1.701 -9.464 1.524 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.112 -10.775 2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.562 -11.716 1.356 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.532 -12.783 2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.267 -13.207 0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.521 -12.201 0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.220 -11.455 -1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.527 -10.218 -0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.690 -10.340 -1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.333 -11.851 -0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.262 -12.095 -3.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.524 -13.032 -2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.870 -11.568 -3.372 1.00 0.00 H new ATOM 733 N LYS A 48 -2.955 -11.527 4.870 1.00 0.00 N ATOM 734 CA LYS A 48 -2.368 -11.836 6.172 1.00 0.00 C ATOM 735 C LYS A 48 -1.143 -12.736 5.970 1.00 0.00 C ATOM 736 O LYS A 48 -0.970 -13.264 4.871 1.00 0.00 O ATOM 737 CB LYS A 48 -3.442 -12.516 7.043 1.00 0.00 C ATOM 738 CG LYS A 48 -4.586 -11.552 7.389 1.00 0.00 C ATOM 739 CD LYS A 48 -5.260 -11.889 8.729 1.00 0.00 C ATOM 740 CE LYS A 48 -6.251 -10.779 9.090 1.00 0.00 C ATOM 741 NZ LYS A 48 -7.008 -11.052 10.332 1.00 0.00 N ATOM 0 H LYS A 48 -3.832 -12.021 4.705 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.036 -10.930 6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.843 -13.382 6.517 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.986 -12.884 7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.199 -10.534 7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.332 -11.580 6.595 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.778 -12.846 8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.508 -11.990 9.512 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.709 -9.840 9.202 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.953 -10.646 8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.661 -10.265 10.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.551 -11.932 10.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.346 -11.151 11.128 1.00 0.00 H new ATOM 755 N PRO A 49 -0.327 -13.003 7.008 1.00 0.00 N ATOM 756 CA PRO A 49 0.825 -13.893 6.889 1.00 0.00 C ATOM 757 C PRO A 49 0.428 -15.267 6.338 1.00 0.00 C ATOM 758 O PRO A 49 1.088 -15.798 5.448 1.00 0.00 O ATOM 759 CB PRO A 49 1.438 -13.973 8.292 1.00 0.00 C ATOM 760 CG PRO A 49 0.996 -12.664 8.939 1.00 0.00 C ATOM 761 CD PRO A 49 -0.399 -12.469 8.359 1.00 0.00 C ATOM 0 HA PRO A 49 1.553 -13.512 6.173 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.071 -14.839 8.843 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.524 -14.057 8.253 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.978 -12.734 10.027 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.661 -11.839 8.684 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.149 -12.994 8.951 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.679 -11.416 8.352 1.00 0.00 H new ATOM 769 N SER A 50 -0.683 -15.819 6.825 1.00 0.00 N ATOM 770 CA SER A 50 -1.254 -17.088 6.397 1.00 0.00 C ATOM 771 C SER A 50 -1.789 -17.039 4.955 1.00 0.00 C ATOM 772 O SER A 50 -1.829 -18.060 4.266 1.00 0.00 O ATOM 773 CB SER A 50 -2.402 -17.408 7.360 1.00 0.00 C ATOM 774 OG SER A 50 -2.084 -17.075 8.706 1.00 0.00 O ATOM 0 H SER A 50 -1.230 -15.372 7.560 1.00 0.00 H new ATOM 0 HA SER A 50 -0.478 -17.853 6.413 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.294 -16.861 7.053 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.641 -18.470 7.297 1.00 0.00 H new ATOM 0 HG SER A 50 -2.844 -17.294 9.285 1.00 0.00 H new ATOM 780 N GLY A 51 -2.169 -15.856 4.465 1.00 0.00 N ATOM 781 CA GLY A 51 -2.783 -15.652 3.159 1.00 0.00 C ATOM 782 C GLY A 51 -4.228 -15.159 3.226 1.00 0.00 C ATOM 783 O GLY A 51 -4.802 -14.900 2.169 1.00 0.00 O ATOM 0 H GLY A 51 -2.052 -14.988 4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.189 -14.931 2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.754 -16.590 2.604 1.00 0.00 H new ATOM 787 N ASP A 52 -4.834 -15.014 4.414 1.00 0.00 N ATOM 788 CA ASP A 52 -6.219 -14.547 4.537 1.00 0.00 C ATOM 789 C ASP A 52 -6.329 -13.164 3.898 1.00 0.00 C ATOM 790 O ASP A 52 -5.467 -12.310 4.117 1.00 0.00 O ATOM 791 CB ASP A 52 -6.729 -14.411 5.987 1.00 0.00 C ATOM 792 CG ASP A 52 -6.267 -15.440 7.009 1.00 0.00 C ATOM 793 OD1 ASP A 52 -5.106 -15.320 7.464 1.00 0.00 O ATOM 794 OD2 ASP A 52 -7.098 -16.246 7.490 1.00 0.00 O ATOM 0 H ASP A 52 -4.382 -15.215 5.306 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.828 -15.306 4.045 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.439 -13.426 6.351 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.818 -14.433 5.961 1.00 0.00 H new ATOM 799 N ASP A 53 -7.392 -12.898 3.148 1.00 0.00 N ATOM 800 CA ASP A 53 -7.601 -11.597 2.521 1.00 0.00 C ATOM 801 C ASP A 53 -7.894 -10.575 3.629 1.00 0.00 C ATOM 802 O ASP A 53 -8.985 -10.633 4.210 1.00 0.00 O ATOM 803 CB ASP A 53 -8.818 -11.625 1.577 1.00 0.00 C ATOM 804 CG ASP A 53 -8.817 -12.563 0.381 1.00 0.00 C ATOM 805 OD1 ASP A 53 -7.871 -13.342 0.166 1.00 0.00 O ATOM 806 OD2 ASP A 53 -9.850 -12.505 -0.346 1.00 0.00 O ATOM 0 H ASP A 53 -8.131 -13.575 2.957 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.710 -11.337 1.949 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.693 -11.866 2.180 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.961 -10.613 1.198 1.00 0.00 H new ATOM 811 N ARG A 54 -6.981 -9.657 3.991 1.00 0.00 N ATOM 812 CA ARG A 54 -7.274 -8.640 5.016 1.00 0.00 C ATOM 813 C ARG A 54 -8.572 -7.893 4.737 1.00 0.00 C ATOM 814 O ARG A 54 -9.410 -7.825 5.639 1.00 0.00 O ATOM 815 CB ARG A 54 -6.109 -7.654 5.244 1.00 0.00 C ATOM 816 CG ARG A 54 -4.972 -8.338 6.006 1.00 0.00 C ATOM 817 CD ARG A 54 -3.993 -7.375 6.688 1.00 0.00 C ATOM 818 NE ARG A 54 -3.128 -8.078 7.652 1.00 0.00 N ATOM 819 CZ ARG A 54 -3.396 -8.278 8.947 1.00 0.00 C ATOM 820 NH1 ARG A 54 -4.491 -7.778 9.504 1.00 0.00 N ATOM 821 NH2 ARG A 54 -2.580 -8.991 9.697 1.00 0.00 N ATOM 0 H ARG A 54 -6.043 -9.598 3.594 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.403 -9.197 5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.743 -7.286 4.286 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.462 -6.788 5.804 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.402 -8.995 6.762 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.417 -8.970 5.313 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.377 -6.886 5.934 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.550 -6.591 7.201 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.244 -8.446 7.299 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.144 -7.231 8.943 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.680 -7.940 10.493 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.736 -9.395 9.291 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.792 -9.138 10.684 1.00 0.00 H new ATOM 835 N TYR A 55 -8.775 -7.384 3.521 1.00 0.00 N ATOM 836 CA TYR A 55 -9.843 -6.432 3.231 1.00 0.00 C ATOM 837 C TYR A 55 -10.648 -6.879 2.006 1.00 0.00 C ATOM 838 O TYR A 55 -10.265 -6.647 0.860 1.00 0.00 O ATOM 839 CB TYR A 55 -9.245 -5.030 3.049 1.00 0.00 C ATOM 840 CG TYR A 55 -8.212 -4.612 4.078 1.00 0.00 C ATOM 841 CD1 TYR A 55 -8.588 -4.367 5.413 1.00 0.00 C ATOM 842 CD2 TYR A 55 -6.863 -4.470 3.699 1.00 0.00 C ATOM 843 CE1 TYR A 55 -7.622 -3.998 6.367 1.00 0.00 C ATOM 844 CE2 TYR A 55 -5.897 -4.098 4.646 1.00 0.00 C ATOM 845 CZ TYR A 55 -6.267 -3.864 5.988 1.00 0.00 C ATOM 846 OH TYR A 55 -5.309 -3.544 6.900 1.00 0.00 O ATOM 0 H TYR A 55 -8.203 -7.621 2.711 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.538 -6.396 4.070 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.788 -4.977 2.061 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.058 -4.304 3.063 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.623 -4.463 5.706 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.571 -4.648 2.675 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.916 -3.817 7.390 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.865 -3.990 4.347 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.734 -3.206 7.716 1.00 0.00 H new ATOM 856 N ASN A 56 -11.758 -7.579 2.238 1.00 0.00 N ATOM 857 CA ASN A 56 -12.719 -7.983 1.210 1.00 0.00 C ATOM 858 C ASN A 56 -13.710 -6.870 0.886 1.00 0.00 C ATOM 859 O ASN A 56 -13.718 -5.828 1.542 1.00 0.00 O ATOM 860 CB ASN A 56 -13.475 -9.246 1.668 1.00 0.00 C ATOM 861 CG ASN A 56 -12.947 -10.501 0.997 1.00 0.00 C ATOM 862 OD1 ASN A 56 -13.712 -11.396 0.647 1.00 0.00 O ATOM 863 ND2 ASN A 56 -11.649 -10.618 0.804 1.00 0.00 N ATOM 0 H ASN A 56 -12.022 -7.890 3.173 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.159 -8.199 0.300 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.387 -9.349 2.750 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.536 -9.134 1.444 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.273 -11.456 0.361 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.020 -9.870 1.097 1.00 0.00 H new ATOM 870 N GLN A 57 -14.587 -7.122 -0.095 1.00 0.00 N ATOM 871 CA GLN A 57 -15.530 -6.155 -0.642 1.00 0.00 C ATOM 872 C GLN A 57 -16.392 -5.467 0.422 1.00 0.00 C ATOM 873 O GLN A 57 -16.672 -4.273 0.302 1.00 0.00 O ATOM 874 CB GLN A 57 -16.408 -6.801 -1.718 1.00 0.00 C ATOM 875 CG GLN A 57 -15.616 -7.149 -2.982 1.00 0.00 C ATOM 876 CD GLN A 57 -15.398 -5.954 -3.899 1.00 0.00 C ATOM 877 OE1 GLN A 57 -16.340 -5.459 -4.508 1.00 0.00 O ATOM 878 NE2 GLN A 57 -14.166 -5.511 -4.076 1.00 0.00 N ATOM 0 H GLN A 57 -14.657 -8.037 -0.540 1.00 0.00 H new ATOM 0 HA GLN A 57 -14.926 -5.369 -1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -16.864 -7.706 -1.317 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.221 -6.122 -1.976 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -14.648 -7.560 -2.695 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -16.144 -7.929 -3.531 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.393 -5.934 -3.562 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.988 -4.746 -4.727 1.00 0.00 H new ATOM 887 N PHE A 58 -16.740 -6.192 1.486 1.00 0.00 N ATOM 888 CA PHE A 58 -17.423 -5.682 2.668 1.00 0.00 C ATOM 889 C PHE A 58 -16.777 -4.393 3.204 1.00 0.00 C ATOM 890 O PHE A 58 -17.467 -3.426 3.526 1.00 0.00 O ATOM 891 CB PHE A 58 -17.425 -6.813 3.711 1.00 0.00 C ATOM 892 CG PHE A 58 -18.239 -6.583 4.970 1.00 0.00 C ATOM 893 CD1 PHE A 58 -19.559 -6.100 4.889 1.00 0.00 C ATOM 894 CD2 PHE A 58 -17.712 -6.948 6.225 1.00 0.00 C ATOM 895 CE1 PHE A 58 -20.346 -5.985 6.047 1.00 0.00 C ATOM 896 CE2 PHE A 58 -18.497 -6.828 7.385 1.00 0.00 C ATOM 897 CZ PHE A 58 -19.812 -6.339 7.296 1.00 0.00 C ATOM 0 H PHE A 58 -16.544 -7.191 1.547 1.00 0.00 H new ATOM 0 HA PHE A 58 -18.445 -5.397 2.420 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -17.794 -7.718 3.229 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.393 -7.006 4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -19.969 -5.816 3.931 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -16.701 -7.321 6.296 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -21.362 -5.624 5.976 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -18.090 -7.111 8.344 1.00 0.00 H new ATOM 0 HZ PHE A 58 -20.411 -6.236 8.188 1.00 0.00 H new ATOM 907 N HIS A 59 -15.445 -4.350 3.265 1.00 0.00 N ATOM 908 CA HIS A 59 -14.685 -3.192 3.722 1.00 0.00 C ATOM 909 C HIS A 59 -14.348 -2.249 2.564 1.00 0.00 C ATOM 910 O HIS A 59 -14.108 -1.063 2.782 1.00 0.00 O ATOM 911 CB HIS A 59 -13.401 -3.684 4.396 1.00 0.00 C ATOM 912 CG HIS A 59 -13.660 -4.597 5.568 1.00 0.00 C ATOM 913 ND1 HIS A 59 -13.221 -5.892 5.690 1.00 0.00 N ATOM 914 CD2 HIS A 59 -14.400 -4.307 6.685 1.00 0.00 C ATOM 915 CE1 HIS A 59 -13.662 -6.367 6.858 1.00 0.00 C ATOM 916 NE2 HIS A 59 -14.395 -5.444 7.507 1.00 0.00 N ATOM 0 H HIS A 59 -14.855 -5.136 2.992 1.00 0.00 H new ATOM 0 HA HIS A 59 -15.291 -2.629 4.432 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.791 -4.210 3.662 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.823 -2.824 4.734 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.897 -3.372 6.895 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -13.457 -7.359 7.232 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -14.854 -5.549 8.412 1.00 0.00 H new ATOM 924 N ILE A 60 -14.324 -2.738 1.322 1.00 0.00 N ATOM 925 CA ILE A 60 -14.072 -1.900 0.151 1.00 0.00 C ATOM 926 C ILE A 60 -15.199 -0.882 0.036 1.00 0.00 C ATOM 927 O ILE A 60 -14.913 0.291 -0.165 1.00 0.00 O ATOM 928 CB ILE A 60 -13.909 -2.770 -1.112 1.00 0.00 C ATOM 929 CG1 ILE A 60 -12.644 -3.659 -1.026 1.00 0.00 C ATOM 930 CG2 ILE A 60 -13.941 -1.991 -2.433 1.00 0.00 C ATOM 931 CD1 ILE A 60 -11.309 -2.919 -1.191 1.00 0.00 C ATOM 0 H ILE A 60 -14.478 -3.722 1.102 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.134 -1.355 0.260 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.793 -3.407 -1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.642 -4.167 -0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.710 -4.431 -1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.819 -2.683 -3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.896 -1.474 -2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -13.131 -1.262 -2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.487 -3.630 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.280 -2.434 -2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.211 -2.166 -0.409 1.00 0.00 H new ATOM 943 N ARG A 61 -16.462 -1.286 0.225 1.00 0.00 N ATOM 944 CA ARG A 61 -17.594 -0.355 0.235 1.00 0.00 C ATOM 945 C ARG A 61 -17.398 0.770 1.247 1.00 0.00 C ATOM 946 O ARG A 61 -17.792 1.906 0.981 1.00 0.00 O ATOM 947 CB ARG A 61 -18.887 -1.103 0.571 1.00 0.00 C ATOM 948 CG ARG A 61 -19.442 -1.930 -0.590 1.00 0.00 C ATOM 949 CD ARG A 61 -19.836 -1.081 -1.807 1.00 0.00 C ATOM 950 NE ARG A 61 -20.954 -1.694 -2.539 1.00 0.00 N ATOM 951 CZ ARG A 61 -20.905 -2.769 -3.334 1.00 0.00 C ATOM 952 NH1 ARG A 61 -19.740 -3.329 -3.650 1.00 0.00 N ATOM 953 NH2 ARG A 61 -22.031 -3.282 -3.815 1.00 0.00 N ATOM 0 H ARG A 61 -16.725 -2.260 0.374 1.00 0.00 H new ATOM 0 HA ARG A 61 -17.658 0.084 -0.761 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -18.704 -1.762 1.420 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -19.642 -0.382 0.884 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.695 -2.664 -0.894 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -20.314 -2.486 -0.246 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -20.116 -0.080 -1.481 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -18.979 -0.971 -2.471 1.00 0.00 H new ATOM 0 HE ARG A 61 -21.866 -1.252 -2.429 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -18.871 -2.939 -3.285 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.716 -4.148 -4.257 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -22.927 -2.857 -3.578 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -22.000 -4.101 -4.422 1.00 0.00 H new ATOM 967 N ARG A 62 -16.805 0.461 2.401 1.00 0.00 N ATOM 968 CA ARG A 62 -16.475 1.421 3.438 1.00 0.00 C ATOM 969 C ARG A 62 -15.518 2.471 2.877 1.00 0.00 C ATOM 970 O ARG A 62 -15.817 3.659 2.953 1.00 0.00 O ATOM 971 CB ARG A 62 -15.895 0.657 4.642 1.00 0.00 C ATOM 972 CG ARG A 62 -16.384 1.164 6.007 1.00 0.00 C ATOM 973 CD ARG A 62 -17.177 0.063 6.726 1.00 0.00 C ATOM 974 NE ARG A 62 -17.438 0.381 8.137 1.00 0.00 N ATOM 975 CZ ARG A 62 -17.971 -0.460 9.031 1.00 0.00 C ATOM 976 NH1 ARG A 62 -18.428 -1.643 8.623 1.00 0.00 N ATOM 977 NH2 ARG A 62 -18.035 -0.120 10.316 1.00 0.00 N ATOM 0 H ARG A 62 -16.536 -0.493 2.640 1.00 0.00 H new ATOM 0 HA ARG A 62 -17.360 1.958 3.780 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -16.152 -0.398 4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -14.808 0.724 4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -15.533 1.467 6.617 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.011 2.046 5.873 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -18.125 -0.091 6.211 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -16.625 -0.875 6.665 1.00 0.00 H new ATOM 0 HE ARG A 62 -17.193 1.317 8.460 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -18.370 -1.900 7.638 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -18.836 -2.292 9.296 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -17.677 0.785 10.623 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -18.442 -0.764 10.994 1.00 0.00 H new ATOM 991 N PHE A 63 -14.412 2.049 2.257 1.00 0.00 N ATOM 992 CA PHE A 63 -13.489 2.983 1.624 1.00 0.00 C ATOM 993 C PHE A 63 -14.140 3.729 0.450 1.00 0.00 C ATOM 994 O PHE A 63 -13.888 4.916 0.279 1.00 0.00 O ATOM 995 CB PHE A 63 -12.212 2.261 1.181 1.00 0.00 C ATOM 996 CG PHE A 63 -11.282 1.763 2.278 1.00 0.00 C ATOM 997 CD1 PHE A 63 -10.914 2.577 3.368 1.00 0.00 C ATOM 998 CD2 PHE A 63 -10.719 0.480 2.170 1.00 0.00 C ATOM 999 CE1 PHE A 63 -10.043 2.094 4.362 1.00 0.00 C ATOM 1000 CE2 PHE A 63 -9.857 -0.007 3.169 1.00 0.00 C ATOM 1001 CZ PHE A 63 -9.531 0.791 4.275 1.00 0.00 C ATOM 0 H PHE A 63 -14.139 1.069 2.182 1.00 0.00 H new ATOM 0 HA PHE A 63 -13.221 3.734 2.367 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -12.501 1.407 0.569 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.647 2.936 0.539 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -11.304 3.581 3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -10.950 -0.136 1.314 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.768 2.727 5.193 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.444 -1.001 3.084 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.890 0.405 5.054 1.00 0.00 H new ATOM 1011 N GLU A 64 -15.002 3.086 -0.341 1.00 0.00 N ATOM 1012 CA GLU A 64 -15.732 3.746 -1.422 1.00 0.00 C ATOM 1013 C GLU A 64 -16.569 4.901 -0.878 1.00 0.00 C ATOM 1014 O GLU A 64 -16.606 5.953 -1.500 1.00 0.00 O ATOM 1015 CB GLU A 64 -16.649 2.784 -2.194 1.00 0.00 C ATOM 1016 CG GLU A 64 -15.894 1.787 -3.081 1.00 0.00 C ATOM 1017 CD GLU A 64 -16.756 1.075 -4.122 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -17.662 1.722 -4.693 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -16.492 -0.123 -4.384 1.00 0.00 O ATOM 0 H GLU A 64 -15.213 2.092 -0.249 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.978 4.120 -2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.262 2.231 -1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.330 3.366 -2.816 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.091 2.315 -3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.426 1.037 -2.443 1.00 0.00 H new ATOM 1026 N ALA A 65 -17.199 4.757 0.291 1.00 0.00 N ATOM 1027 CA ALA A 65 -18.001 5.827 0.878 1.00 0.00 C ATOM 1028 C ALA A 65 -17.174 7.108 1.061 1.00 0.00 C ATOM 1029 O ALA A 65 -17.684 8.216 0.886 1.00 0.00 O ATOM 1030 CB ALA A 65 -18.571 5.340 2.207 1.00 0.00 C ATOM 0 H ALA A 65 -17.167 3.904 0.850 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.820 6.077 0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.173 6.130 2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.194 4.462 2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.754 5.079 2.880 1.00 0.00 H new ATOM 1036 N LEU A 66 -15.879 6.959 1.355 1.00 0.00 N ATOM 1037 CA LEU A 66 -14.926 8.055 1.444 1.00 0.00 C ATOM 1038 C LEU A 66 -14.831 8.749 0.095 1.00 0.00 C ATOM 1039 O LEU A 66 -15.166 9.928 0.001 1.00 0.00 O ATOM 1040 CB LEU A 66 -13.536 7.571 1.879 1.00 0.00 C ATOM 1041 CG LEU A 66 -13.536 6.720 3.151 1.00 0.00 C ATOM 1042 CD1 LEU A 66 -12.137 6.145 3.305 1.00 0.00 C ATOM 1043 CD2 LEU A 66 -13.905 7.562 4.379 1.00 0.00 C ATOM 0 H LEU A 66 -15.460 6.048 1.541 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.283 8.752 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.096 6.991 1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.895 8.438 2.036 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.279 5.926 3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.094 5.529 4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.897 5.534 2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.416 6.959 3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.897 6.932 5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.181 8.368 4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.900 7.986 4.244 1.00 0.00 H new ATOM 1055 N LEU A 67 -14.411 8.024 -0.949 1.00 0.00 N ATOM 1056 CA LEU A 67 -14.181 8.585 -2.277 1.00 0.00 C ATOM 1057 C LEU A 67 -15.461 9.188 -2.839 1.00 0.00 C ATOM 1058 O LEU A 67 -15.418 10.217 -3.503 1.00 0.00 O ATOM 1059 CB LEU A 67 -13.538 7.533 -3.203 1.00 0.00 C ATOM 1060 CG LEU A 67 -14.428 6.608 -4.065 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -14.954 7.257 -5.352 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -13.608 5.380 -4.473 1.00 0.00 C ATOM 0 H LEU A 67 -14.221 7.024 -0.891 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.469 9.407 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -12.871 8.064 -3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.914 6.892 -2.580 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.292 6.361 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.569 6.540 -5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.554 8.131 -5.100 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.114 7.562 -5.976 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.223 4.718 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.738 5.698 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.278 4.849 -3.580 1.00 0.00 H new ATOM 1074 N GLN A 68 -16.608 8.583 -2.536 1.00 0.00 N ATOM 1075 CA GLN A 68 -17.927 9.029 -2.946 1.00 0.00 C ATOM 1076 C GLN A 68 -18.346 10.346 -2.279 1.00 0.00 C ATOM 1077 O GLN A 68 -19.344 10.932 -2.703 1.00 0.00 O ATOM 1078 CB GLN A 68 -18.933 7.915 -2.619 1.00 0.00 C ATOM 1079 CG GLN A 68 -18.807 6.706 -3.563 1.00 0.00 C ATOM 1080 CD GLN A 68 -19.311 7.020 -4.965 1.00 0.00 C ATOM 1081 OE1 GLN A 68 -20.394 7.580 -5.130 1.00 0.00 O ATOM 1082 NE2 GLN A 68 -18.564 6.661 -5.996 1.00 0.00 N ATOM 0 H GLN A 68 -16.639 7.733 -1.974 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.905 9.230 -4.017 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.783 7.585 -1.591 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.945 8.315 -2.681 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.764 6.394 -3.615 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.371 5.867 -3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.669 6.198 -5.840 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -18.883 6.848 -6.947 1.00 0.00 H new ATOM 1091 N THR A 69 -17.617 10.844 -1.279 1.00 0.00 N ATOM 1092 CA THR A 69 -17.971 12.060 -0.546 1.00 0.00 C ATOM 1093 C THR A 69 -16.827 13.080 -0.509 1.00 0.00 C ATOM 1094 O THR A 69 -17.091 14.284 -0.463 1.00 0.00 O ATOM 1095 CB THR A 69 -18.497 11.672 0.846 1.00 0.00 C ATOM 1096 OG1 THR A 69 -17.599 10.811 1.519 1.00 0.00 O ATOM 1097 CG2 THR A 69 -19.832 10.934 0.763 1.00 0.00 C ATOM 0 H THR A 69 -16.754 10.409 -0.952 1.00 0.00 H new ATOM 0 HA THR A 69 -18.771 12.577 -1.076 1.00 0.00 H new ATOM 0 HB THR A 69 -18.612 12.611 1.387 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.860 9.879 1.363 1.00 0.00 H new ATOM 0 HG21 THR A 69 -20.169 10.678 1.767 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.573 11.574 0.284 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.708 10.023 0.178 1.00 0.00 H new ATOM 1105 N GLY A 70 -15.574 12.627 -0.599 1.00 0.00 N ATOM 1106 CA GLY A 70 -14.396 13.464 -0.793 1.00 0.00 C ATOM 1107 C GLY A 70 -13.215 13.137 0.118 1.00 0.00 C ATOM 1108 O GLY A 70 -12.177 13.787 0.006 1.00 0.00 O ATOM 0 H GLY A 70 -15.348 11.634 -0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -14.072 13.374 -1.830 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.679 14.505 -0.637 1.00 0.00 H new ATOM 1112 N LYS A 71 -13.321 12.194 1.058 1.00 0.00 N ATOM 1113 CA LYS A 71 -12.158 11.685 1.768 1.00 0.00 C ATOM 1114 C LYS A 71 -11.401 10.742 0.839 1.00 0.00 C ATOM 1115 O LYS A 71 -12.034 9.959 0.132 1.00 0.00 O ATOM 1116 CB LYS A 71 -12.667 10.963 3.015 1.00 0.00 C ATOM 1117 CG LYS A 71 -12.908 11.952 4.168 1.00 0.00 C ATOM 1118 CD LYS A 71 -11.628 12.145 4.981 1.00 0.00 C ATOM 1119 CE LYS A 71 -11.374 10.873 5.794 1.00 0.00 C ATOM 1120 NZ LYS A 71 -11.873 10.982 7.179 1.00 0.00 N ATOM 0 H LYS A 71 -14.205 11.771 1.341 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.476 12.480 2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.594 10.438 2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.943 10.209 3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.241 12.910 3.770 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.704 11.581 4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.786 12.346 4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.726 13.005 5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.856 10.028 5.302 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.304 10.664 5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.678 10.097 7.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.395 11.771 7.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.898 11.155 7.166 1.00 0.00 H new ATOM 1134 N SER A 72 -10.068 10.774 0.854 1.00 0.00 N ATOM 1135 CA SER A 72 -9.309 9.812 0.074 1.00 0.00 C ATOM 1136 C SER A 72 -9.453 8.438 0.724 1.00 0.00 C ATOM 1137 O SER A 72 -9.155 8.302 1.916 1.00 0.00 O ATOM 1138 CB SER A 72 -7.824 10.163 -0.023 1.00 0.00 C ATOM 1139 OG SER A 72 -7.250 9.415 -1.087 1.00 0.00 O ATOM 0 H SER A 72 -9.508 11.440 1.386 1.00 0.00 H new ATOM 0 HA SER A 72 -9.709 9.821 -0.940 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.699 11.231 -0.201 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.319 9.934 0.916 1.00 0.00 H new ATOM 0 HG SER A 72 -7.878 9.381 -1.839 1.00 0.00 H new ATOM 1145 N PRO A 73 -9.804 7.402 -0.049 1.00 0.00 N ATOM 1146 CA PRO A 73 -9.679 6.033 0.401 1.00 0.00 C ATOM 1147 C PRO A 73 -8.210 5.630 0.526 1.00 0.00 C ATOM 1148 O PRO A 73 -7.920 4.767 1.345 1.00 0.00 O ATOM 1149 CB PRO A 73 -10.408 5.205 -0.655 1.00 0.00 C ATOM 1150 CG PRO A 73 -10.179 6.012 -1.930 1.00 0.00 C ATOM 1151 CD PRO A 73 -10.217 7.450 -1.441 1.00 0.00 C ATOM 0 HA PRO A 73 -10.107 5.882 1.392 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.998 4.198 -0.734 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.469 5.101 -0.427 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.223 5.769 -2.394 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.952 5.819 -2.673 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.548 8.081 -2.027 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.218 7.871 -1.538 1.00 0.00 H new ATOM 1159 N THR A 74 -7.284 6.251 -0.221 1.00 0.00 N ATOM 1160 CA THR A 74 -5.866 5.958 -0.096 1.00 0.00 C ATOM 1161 C THR A 74 -5.426 6.215 1.332 1.00 0.00 C ATOM 1162 O THR A 74 -4.818 5.339 1.938 1.00 0.00 O ATOM 1163 CB THR A 74 -5.023 6.822 -1.041 1.00 0.00 C ATOM 1164 OG1 THR A 74 -5.425 6.592 -2.366 1.00 0.00 O ATOM 1165 CG2 THR A 74 -3.526 6.505 -0.887 1.00 0.00 C ATOM 0 H THR A 74 -7.504 6.962 -0.919 1.00 0.00 H new ATOM 0 HA THR A 74 -5.714 4.912 -0.364 1.00 0.00 H new ATOM 0 HB THR A 74 -5.177 7.870 -0.786 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.021 7.314 -2.657 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.950 7.131 -1.568 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.216 6.704 0.139 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.350 5.455 -1.122 1.00 0.00 H new ATOM 1173 N CYS A 75 -5.679 7.429 1.829 1.00 0.00 N ATOM 1174 CA CYS A 75 -5.175 7.863 3.114 1.00 0.00 C ATOM 1175 C CYS A 75 -5.717 6.956 4.207 1.00 0.00 C ATOM 1176 O CYS A 75 -4.925 6.384 4.947 1.00 0.00 O ATOM 1177 CB CYS A 75 -5.530 9.338 3.328 1.00 0.00 C ATOM 1178 SG CYS A 75 -4.965 9.840 4.979 1.00 0.00 S ATOM 0 H CYS A 75 -6.239 8.130 1.345 1.00 0.00 H new ATOM 0 HA CYS A 75 -4.088 7.786 3.148 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -5.058 9.955 2.563 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -6.606 9.485 3.236 1.00 0.00 H new ATOM 0 HG CYS A 75 -5.257 11.091 5.176 1.00 0.00 H new ATOM 1184 N GLU A 76 -7.039 6.798 4.278 1.00 0.00 N ATOM 1185 CA GLU A 76 -7.677 5.955 5.280 1.00 0.00 C ATOM 1186 C GLU A 76 -7.144 4.528 5.225 1.00 0.00 C ATOM 1187 O GLU A 76 -6.801 3.978 6.268 1.00 0.00 O ATOM 1188 CB GLU A 76 -9.192 5.962 5.065 1.00 0.00 C ATOM 1189 CG GLU A 76 -9.858 7.152 5.762 1.00 0.00 C ATOM 1190 CD GLU A 76 -9.928 6.980 7.279 1.00 0.00 C ATOM 1191 OE1 GLU A 76 -10.807 6.209 7.750 1.00 0.00 O ATOM 1192 OE2 GLU A 76 -9.198 7.701 7.986 1.00 0.00 O ATOM 0 H GLU A 76 -7.694 7.252 3.641 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.446 6.358 6.266 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.408 5.998 3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.618 5.033 5.445 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.305 8.062 5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.866 7.282 5.368 1.00 0.00 H new ATOM 1199 N LEU A 77 -7.060 3.937 4.030 1.00 0.00 N ATOM 1200 CA LEU A 77 -6.533 2.589 3.869 1.00 0.00 C ATOM 1201 C LEU A 77 -5.106 2.515 4.394 1.00 0.00 C ATOM 1202 O LEU A 77 -4.802 1.635 5.193 1.00 0.00 O ATOM 1203 CB LEU A 77 -6.599 2.156 2.394 1.00 0.00 C ATOM 1204 CG LEU A 77 -5.800 0.883 2.051 1.00 0.00 C ATOM 1205 CD1 LEU A 77 -6.253 -0.389 2.768 1.00 0.00 C ATOM 1206 CD2 LEU A 77 -5.931 0.634 0.553 1.00 0.00 C ATOM 0 H LEU A 77 -7.353 4.378 3.158 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.148 1.901 4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.643 1.995 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.233 2.974 1.774 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.779 1.075 2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.627 -1.225 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.164 -0.251 3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.292 -0.600 2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.374 -0.263 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.982 0.499 0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.531 1.488 0.006 1.00 0.00 H new ATOM 1218 N LEU A 78 -4.226 3.404 3.926 1.00 0.00 N ATOM 1219 CA LEU A 78 -2.815 3.355 4.273 1.00 0.00 C ATOM 1220 C LEU A 78 -2.640 3.525 5.788 1.00 0.00 C ATOM 1221 O LEU A 78 -1.800 2.876 6.407 1.00 0.00 O ATOM 1222 CB LEU A 78 -2.033 4.477 3.556 1.00 0.00 C ATOM 1223 CG LEU A 78 -1.707 4.247 2.071 1.00 0.00 C ATOM 1224 CD1 LEU A 78 -0.821 5.381 1.548 1.00 0.00 C ATOM 1225 CD2 LEU A 78 -1.037 2.904 1.763 1.00 0.00 C ATOM 0 H LEU A 78 -4.475 4.170 3.301 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.426 2.387 3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.607 5.400 3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.096 4.635 4.090 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.671 4.231 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.595 5.210 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.344 6.331 1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.107 5.410 2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.845 2.830 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.095 2.834 2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.694 2.091 2.071 1.00 0.00 H new ATOM 1237 N PHE A 79 -3.405 4.449 6.367 1.00 0.00 N ATOM 1238 CA PHE A 79 -3.398 4.799 7.775 1.00 0.00 C ATOM 1239 C PHE A 79 -3.837 3.604 8.622 1.00 0.00 C ATOM 1240 O PHE A 79 -3.134 3.226 9.563 1.00 0.00 O ATOM 1241 CB PHE A 79 -4.330 6.004 7.964 1.00 0.00 C ATOM 1242 CG PHE A 79 -4.447 6.491 9.386 1.00 0.00 C ATOM 1243 CD1 PHE A 79 -3.419 7.268 9.952 1.00 0.00 C ATOM 1244 CD2 PHE A 79 -5.603 6.192 10.132 1.00 0.00 C ATOM 1245 CE1 PHE A 79 -3.550 7.743 11.267 1.00 0.00 C ATOM 1246 CE2 PHE A 79 -5.725 6.660 11.449 1.00 0.00 C ATOM 1247 CZ PHE A 79 -4.695 7.430 12.013 1.00 0.00 C ATOM 0 H PHE A 79 -4.079 4.998 5.834 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.393 5.065 8.103 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -3.972 6.824 7.341 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.323 5.739 7.602 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.534 7.498 9.378 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.394 5.604 9.691 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.770 8.349 11.703 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.608 6.429 12.027 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.786 7.784 13.029 1.00 0.00 H new ATOM 1257 N ASP A 80 -4.983 3.012 8.279 1.00 0.00 N ATOM 1258 CA ASP A 80 -5.569 1.867 8.966 1.00 0.00 C ATOM 1259 C ASP A 80 -4.622 0.675 8.883 1.00 0.00 C ATOM 1260 O ASP A 80 -4.269 0.082 9.897 1.00 0.00 O ATOM 1261 CB ASP A 80 -6.926 1.532 8.337 1.00 0.00 C ATOM 1262 CG ASP A 80 -7.667 0.452 9.119 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -7.325 -0.750 9.033 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -8.657 0.792 9.805 1.00 0.00 O ATOM 0 H ASP A 80 -5.544 3.330 7.489 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.724 2.109 10.018 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.538 2.433 8.294 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.777 1.198 7.310 1.00 0.00 H new ATOM 1269 N TRP A 81 -4.132 0.369 7.683 1.00 0.00 N ATOM 1270 CA TRP A 81 -3.216 -0.729 7.414 1.00 0.00 C ATOM 1271 C TRP A 81 -1.925 -0.622 8.237 1.00 0.00 C ATOM 1272 O TRP A 81 -1.340 -1.634 8.631 1.00 0.00 O ATOM 1273 CB TRP A 81 -2.937 -0.719 5.913 1.00 0.00 C ATOM 1274 CG TRP A 81 -2.049 -1.782 5.385 1.00 0.00 C ATOM 1275 CD1 TRP A 81 -2.041 -3.093 5.709 1.00 0.00 C ATOM 1276 CD2 TRP A 81 -1.017 -1.601 4.392 1.00 0.00 C ATOM 1277 NE1 TRP A 81 -1.031 -3.725 5.009 1.00 0.00 N ATOM 1278 CE2 TRP A 81 -0.348 -2.839 4.210 1.00 0.00 C ATOM 1279 CE3 TRP A 81 -0.584 -0.496 3.637 1.00 0.00 C ATOM 1280 CZ2 TRP A 81 0.762 -2.958 3.375 1.00 0.00 C ATOM 1281 CZ3 TRP A 81 0.510 -0.615 2.772 1.00 0.00 C ATOM 1282 CH2 TRP A 81 1.195 -1.836 2.671 1.00 0.00 C ATOM 0 H TRP A 81 -4.372 0.899 6.845 1.00 0.00 H new ATOM 0 HA TRP A 81 -3.665 -1.676 7.713 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.892 -0.785 5.391 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.500 0.246 5.656 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.716 -3.571 6.404 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -0.820 -4.721 5.076 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -1.098 0.449 3.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 1.277 -3.902 3.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 0.827 0.233 2.182 1.00 0.00 H new ATOM 0 HH2 TRP A 81 2.069 -1.907 2.040 1.00 0.00 H new ATOM 1293 N GLY A 82 -1.513 0.597 8.590 1.00 0.00 N ATOM 1294 CA GLY A 82 -0.461 0.842 9.558 1.00 0.00 C ATOM 1295 C GLY A 82 -0.683 0.053 10.858 1.00 0.00 C ATOM 1296 O GLY A 82 0.258 -0.580 11.344 1.00 0.00 O ATOM 0 H GLY A 82 -1.912 1.451 8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.501 0.567 9.126 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.416 1.908 9.783 1.00 0.00 H new ATOM 1300 N THR A 83 -1.898 0.054 11.418 1.00 0.00 N ATOM 1301 CA THR A 83 -2.230 -0.657 12.654 1.00 0.00 C ATOM 1302 C THR A 83 -2.203 -2.176 12.455 1.00 0.00 C ATOM 1303 O THR A 83 -1.951 -2.919 13.408 1.00 0.00 O ATOM 1304 CB THR A 83 -3.580 -0.144 13.215 1.00 0.00 C ATOM 1305 OG1 THR A 83 -3.510 -0.049 14.626 1.00 0.00 O ATOM 1306 CG2 THR A 83 -4.806 -0.996 12.899 1.00 0.00 C ATOM 0 H THR A 83 -2.690 0.557 11.017 1.00 0.00 H new ATOM 0 HA THR A 83 -1.465 -0.444 13.401 1.00 0.00 H new ATOM 0 HB THR A 83 -3.717 0.816 12.716 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.366 0.277 14.975 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.691 -0.539 13.342 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.934 -1.062 11.819 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.670 -1.996 13.310 1.00 0.00 H new ATOM 1314 N THR A 84 -2.421 -2.660 11.228 1.00 0.00 N ATOM 1315 CA THR A 84 -2.307 -4.074 10.910 1.00 0.00 C ATOM 1316 C THR A 84 -0.861 -4.546 11.135 1.00 0.00 C ATOM 1317 O THR A 84 -0.676 -5.684 11.571 1.00 0.00 O ATOM 1318 CB THR A 84 -2.864 -4.308 9.487 1.00 0.00 C ATOM 1319 OG1 THR A 84 -4.154 -4.879 9.590 1.00 0.00 O ATOM 1320 CG2 THR A 84 -1.993 -5.168 8.574 1.00 0.00 C ATOM 0 H THR A 84 -2.681 -2.077 10.432 1.00 0.00 H new ATOM 0 HA THR A 84 -2.909 -4.691 11.577 1.00 0.00 H new ATOM 0 HB THR A 84 -2.886 -3.327 9.012 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.697 -4.600 8.824 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.475 -5.270 7.602 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.019 -4.695 8.449 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.863 -6.154 9.019 1.00 0.00 H new ATOM 1328 N ASN A 85 0.125 -3.656 10.954 1.00 0.00 N ATOM 1329 CA ASN A 85 1.576 -3.788 11.131 1.00 0.00 C ATOM 1330 C ASN A 85 2.169 -4.096 9.763 1.00 0.00 C ATOM 1331 O ASN A 85 2.604 -5.228 9.505 1.00 0.00 O ATOM 1332 CB ASN A 85 2.064 -4.810 12.183 1.00 0.00 C ATOM 1333 CG ASN A 85 1.693 -4.465 13.614 1.00 0.00 C ATOM 1334 OD1 ASN A 85 2.480 -3.872 14.346 1.00 0.00 O ATOM 1335 ND2 ASN A 85 0.501 -4.820 14.052 1.00 0.00 N ATOM 0 H ASN A 85 -0.106 -2.713 10.642 1.00 0.00 H new ATOM 0 HA ASN A 85 1.923 -2.841 11.545 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.651 -5.789 11.940 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.148 -4.896 12.113 1.00 0.00 H new ATOM 0 HD21 ASN A 85 0.224 -4.602 15.009 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -0.144 -5.312 13.434 1.00 0.00 H new ATOM 1342 N CYS A 86 2.211 -3.085 8.891 1.00 0.00 N ATOM 1343 CA CYS A 86 2.937 -3.131 7.628 1.00 0.00 C ATOM 1344 C CYS A 86 3.761 -1.859 7.430 1.00 0.00 C ATOM 1345 O CYS A 86 3.621 -0.894 8.191 1.00 0.00 O ATOM 1346 CB CYS A 86 1.962 -3.416 6.484 1.00 0.00 C ATOM 1347 SG CYS A 86 1.315 -5.106 6.675 1.00 0.00 S ATOM 0 H CYS A 86 1.732 -2.199 9.050 1.00 0.00 H new ATOM 0 HA CYS A 86 3.657 -3.949 7.641 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.145 -2.695 6.496 1.00 0.00 H new ATOM 0 HB3 CYS A 86 2.466 -3.311 5.523 1.00 0.00 H new ATOM 0 HG CYS A 86 1.818 -5.645 7.746 1.00 0.00 H new ATOM 1353 N THR A 87 4.652 -1.876 6.438 1.00 0.00 N ATOM 1354 CA THR A 87 5.696 -0.877 6.251 1.00 0.00 C ATOM 1355 C THR A 87 5.734 -0.317 4.829 1.00 0.00 C ATOM 1356 O THR A 87 5.083 -0.821 3.918 1.00 0.00 O ATOM 1357 CB THR A 87 7.052 -1.507 6.627 1.00 0.00 C ATOM 1358 OG1 THR A 87 7.217 -2.699 5.886 1.00 0.00 O ATOM 1359 CG2 THR A 87 7.164 -1.840 8.113 1.00 0.00 C ATOM 0 H THR A 87 4.665 -2.606 5.725 1.00 0.00 H new ATOM 0 HA THR A 87 5.477 -0.029 6.901 1.00 0.00 H new ATOM 0 HB THR A 87 7.826 -0.774 6.397 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.031 -2.637 5.344 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.140 -2.280 8.315 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.049 -0.929 8.700 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.383 -2.549 8.387 1.00 0.00 H new ATOM 1367 N VAL A 88 6.539 0.721 4.629 1.00 0.00 N ATOM 1368 CA VAL A 88 6.820 1.324 3.337 1.00 0.00 C ATOM 1369 C VAL A 88 7.233 0.254 2.321 1.00 0.00 C ATOM 1370 O VAL A 88 6.828 0.333 1.166 1.00 0.00 O ATOM 1371 CB VAL A 88 8.003 2.290 3.533 1.00 0.00 C ATOM 1372 CG1 VAL A 88 8.693 2.729 2.232 1.00 0.00 C ATOM 1373 CG2 VAL A 88 7.590 3.543 4.293 1.00 0.00 C ATOM 0 H VAL A 88 7.032 1.181 5.395 1.00 0.00 H new ATOM 0 HA VAL A 88 5.932 1.835 2.965 1.00 0.00 H new ATOM 0 HB VAL A 88 8.720 1.706 4.109 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.513 3.407 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.083 1.853 1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.972 3.238 1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.453 4.198 4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.811 4.065 3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.210 3.264 5.276 1.00 0.00 H new ATOM 1383 N GLY A 89 8.096 -0.684 2.720 1.00 0.00 N ATOM 1384 CA GLY A 89 8.634 -1.696 1.832 1.00 0.00 C ATOM 1385 C GLY A 89 7.532 -2.674 1.476 1.00 0.00 C ATOM 1386 O GLY A 89 7.413 -3.013 0.308 1.00 0.00 O ATOM 0 H GLY A 89 8.439 -0.756 3.678 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.032 -1.232 0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.461 -2.219 2.313 1.00 0.00 H new ATOM 1390 N ASP A 90 6.686 -3.029 2.453 1.00 0.00 N ATOM 1391 CA ASP A 90 5.455 -3.802 2.259 1.00 0.00 C ATOM 1392 C ASP A 90 4.616 -3.141 1.159 1.00 0.00 C ATOM 1393 O ASP A 90 4.171 -3.805 0.225 1.00 0.00 O ATOM 1394 CB ASP A 90 4.668 -3.857 3.586 1.00 0.00 C ATOM 1395 CG ASP A 90 3.912 -5.151 3.865 1.00 0.00 C ATOM 1396 OD1 ASP A 90 3.117 -5.604 3.018 1.00 0.00 O ATOM 1397 OD2 ASP A 90 4.062 -5.656 5.005 1.00 0.00 O ATOM 0 H ASP A 90 6.846 -2.778 3.429 1.00 0.00 H new ATOM 0 HA ASP A 90 5.695 -4.821 1.956 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.365 -3.684 4.406 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.954 -3.034 3.596 1.00 0.00 H new ATOM 1402 N LEU A 91 4.440 -1.814 1.262 1.00 0.00 N ATOM 1403 CA LEU A 91 3.679 -0.979 0.338 1.00 0.00 C ATOM 1404 C LEU A 91 4.296 -1.012 -1.044 1.00 0.00 C ATOM 1405 O LEU A 91 3.607 -1.404 -1.974 1.00 0.00 O ATOM 1406 CB LEU A 91 3.513 0.447 0.904 1.00 0.00 C ATOM 1407 CG LEU A 91 2.850 1.465 -0.041 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.480 1.036 -0.585 1.00 0.00 C ATOM 1409 CD2 LEU A 91 2.685 2.797 0.704 1.00 0.00 C ATOM 0 H LEU A 91 4.845 -1.276 2.028 1.00 0.00 H new ATOM 0 HA LEU A 91 2.672 -1.384 0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.923 0.389 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.497 0.825 1.183 1.00 0.00 H new ATOM 0 HG LEU A 91 3.510 1.550 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.089 1.814 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.586 0.108 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.791 0.882 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.216 3.527 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.058 2.647 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.663 3.164 1.014 1.00 0.00 H new ATOM 1421 N VAL A 92 5.558 -0.618 -1.192 1.00 0.00 N ATOM 1422 CA VAL A 92 6.292 -0.683 -2.451 1.00 0.00 C ATOM 1423 C VAL A 92 6.082 -2.044 -3.106 1.00 0.00 C ATOM 1424 O VAL A 92 5.769 -2.099 -4.291 1.00 0.00 O ATOM 1425 CB VAL A 92 7.777 -0.408 -2.159 1.00 0.00 C ATOM 1426 CG1 VAL A 92 8.754 -1.053 -3.144 1.00 0.00 C ATOM 1427 CG2 VAL A 92 8.040 1.090 -2.018 1.00 0.00 C ATOM 0 H VAL A 92 6.110 -0.237 -0.424 1.00 0.00 H new ATOM 0 HA VAL A 92 5.927 0.069 -3.151 1.00 0.00 H new ATOM 0 HB VAL A 92 7.976 -0.897 -1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.776 -0.804 -2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.626 -2.135 -3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.557 -0.680 -4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 92 9.097 1.256 -1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.767 1.596 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.444 1.488 -1.197 1.00 0.00 H new ATOM 1437 N ASP A 93 6.244 -3.117 -2.336 1.00 0.00 N ATOM 1438 CA ASP A 93 6.207 -4.489 -2.816 1.00 0.00 C ATOM 1439 C ASP A 93 4.897 -4.748 -3.562 1.00 0.00 C ATOM 1440 O ASP A 93 4.889 -5.217 -4.704 1.00 0.00 O ATOM 1441 CB ASP A 93 6.329 -5.455 -1.624 1.00 0.00 C ATOM 1442 CG ASP A 93 7.511 -6.413 -1.671 1.00 0.00 C ATOM 1443 OD1 ASP A 93 8.035 -6.713 -2.772 1.00 0.00 O ATOM 1444 OD2 ASP A 93 7.943 -6.852 -0.583 1.00 0.00 O ATOM 0 H ASP A 93 6.409 -3.050 -1.332 1.00 0.00 H new ATOM 0 HA ASP A 93 7.040 -4.652 -3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.397 -4.867 -0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.412 -6.041 -1.559 1.00 0.00 H new ATOM 1449 N LEU A 94 3.791 -4.403 -2.898 1.00 0.00 N ATOM 1450 CA LEU A 94 2.426 -4.546 -3.384 1.00 0.00 C ATOM 1451 C LEU A 94 2.166 -3.566 -4.518 1.00 0.00 C ATOM 1452 O LEU A 94 1.449 -3.892 -5.456 1.00 0.00 O ATOM 1453 CB LEU A 94 1.439 -4.242 -2.248 1.00 0.00 C ATOM 1454 CG LEU A 94 1.537 -5.224 -1.070 1.00 0.00 C ATOM 1455 CD1 LEU A 94 1.046 -4.561 0.214 1.00 0.00 C ATOM 1456 CD2 LEU A 94 0.717 -6.478 -1.334 1.00 0.00 C ATOM 0 H LEU A 94 3.830 -3.998 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 94 2.292 -5.567 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.618 -3.231 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.424 -4.263 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 94 2.584 -5.506 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.121 -5.268 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.659 -3.686 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.007 -4.255 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.804 -7.155 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.329 -6.206 -1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.087 -6.973 -2.232 1.00 0.00 H new ATOM 1468 N LEU A 95 2.704 -2.349 -4.436 1.00 0.00 N ATOM 1469 CA LEU A 95 2.536 -1.335 -5.466 1.00 0.00 C ATOM 1470 C LEU A 95 3.131 -1.834 -6.774 1.00 0.00 C ATOM 1471 O LEU A 95 2.487 -1.697 -7.812 1.00 0.00 O ATOM 1472 CB LEU A 95 3.149 0.007 -5.055 1.00 0.00 C ATOM 1473 CG LEU A 95 2.365 0.770 -3.982 1.00 0.00 C ATOM 1474 CD1 LEU A 95 3.132 2.052 -3.653 1.00 0.00 C ATOM 1475 CD2 LEU A 95 0.927 1.078 -4.399 1.00 0.00 C ATOM 0 H LEU A 95 3.271 -2.041 -3.646 1.00 0.00 H new ATOM 0 HA LEU A 95 1.469 -1.160 -5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.161 -0.168 -4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.234 0.638 -5.940 1.00 0.00 H new ATOM 0 HG LEU A 95 2.281 0.138 -3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.592 2.613 -2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.125 1.797 -3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.226 2.661 -4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.424 1.619 -3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.933 1.689 -5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.397 0.146 -4.595 1.00 0.00 H new ATOM 1487 N VAL A 96 4.311 -2.456 -6.743 1.00 0.00 N ATOM 1488 CA VAL A 96 4.849 -3.140 -7.908 1.00 0.00 C ATOM 1489 C VAL A 96 3.864 -4.238 -8.338 1.00 0.00 C ATOM 1490 O VAL A 96 3.491 -4.257 -9.511 1.00 0.00 O ATOM 1491 CB VAL A 96 6.286 -3.642 -7.648 1.00 0.00 C ATOM 1492 CG1 VAL A 96 6.855 -4.352 -8.883 1.00 0.00 C ATOM 1493 CG2 VAL A 96 7.242 -2.478 -7.326 1.00 0.00 C ATOM 0 H VAL A 96 4.910 -2.497 -5.918 1.00 0.00 H new ATOM 0 HA VAL A 96 4.947 -2.449 -8.745 1.00 0.00 H new ATOM 0 HB VAL A 96 6.218 -4.326 -6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.868 -4.695 -8.671 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.227 -5.207 -9.133 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.875 -3.659 -9.724 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.244 -2.869 -7.149 1.00 0.00 H new ATOM 0 HG22 VAL A 96 7.266 -1.784 -8.166 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.893 -1.956 -6.435 1.00 0.00 H new ATOM 1503 N GLN A 97 3.371 -5.083 -7.418 1.00 0.00 N ATOM 1504 CA GLN A 97 2.467 -6.182 -7.772 1.00 0.00 C ATOM 1505 C GLN A 97 1.219 -5.718 -8.538 1.00 0.00 C ATOM 1506 O GLN A 97 0.683 -6.481 -9.343 1.00 0.00 O ATOM 1507 CB GLN A 97 2.136 -7.084 -6.554 1.00 0.00 C ATOM 1508 CG GLN A 97 0.728 -7.019 -5.928 1.00 0.00 C ATOM 1509 CD GLN A 97 0.437 -8.259 -5.084 1.00 0.00 C ATOM 1510 OE1 GLN A 97 1.130 -8.589 -4.128 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -0.615 -8.984 -5.419 1.00 0.00 N ATOM 0 H GLN A 97 3.586 -5.023 -6.423 1.00 0.00 H new ATOM 0 HA GLN A 97 3.013 -6.809 -8.476 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.314 -8.117 -6.853 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.855 -6.851 -5.769 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.645 -6.127 -5.308 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.019 -6.930 -6.717 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.191 -8.709 -6.214 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.851 -9.819 -4.882 1.00 0.00 H new ATOM 1520 N ILE A 98 0.731 -4.498 -8.303 1.00 0.00 N ATOM 1521 CA ILE A 98 -0.474 -3.966 -8.941 1.00 0.00 C ATOM 1522 C ILE A 98 -0.166 -3.064 -10.151 1.00 0.00 C ATOM 1523 O ILE A 98 -1.105 -2.491 -10.707 1.00 0.00 O ATOM 1524 CB ILE A 98 -1.401 -3.302 -7.904 1.00 0.00 C ATOM 1525 CG1 ILE A 98 -0.734 -2.059 -7.303 1.00 0.00 C ATOM 1526 CG2 ILE A 98 -1.806 -4.302 -6.800 1.00 0.00 C ATOM 1527 CD1 ILE A 98 -1.656 -1.225 -6.423 1.00 0.00 C ATOM 0 H ILE A 98 1.168 -3.843 -7.655 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.020 -4.811 -9.359 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.311 -2.987 -8.415 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.129 -2.371 -6.714 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.358 -1.434 -8.113 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.460 -3.806 -6.082 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.332 -5.145 -7.248 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.913 -4.661 -6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.110 -0.365 -6.036 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.507 -0.880 -7.011 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.012 -1.832 -5.591 1.00 0.00 H new ATOM 1539 N GLU A 99 1.099 -2.949 -10.581 1.00 0.00 N ATOM 1540 CA GLU A 99 1.587 -2.159 -11.724 1.00 0.00 C ATOM 1541 C GLU A 99 1.727 -0.658 -11.367 1.00 0.00 C ATOM 1542 O GLU A 99 1.859 0.202 -12.247 1.00 0.00 O ATOM 1543 CB GLU A 99 0.713 -2.399 -12.981 1.00 0.00 C ATOM 1544 CG GLU A 99 1.422 -2.307 -14.351 1.00 0.00 C ATOM 1545 CD GLU A 99 1.967 -3.637 -14.898 1.00 0.00 C ATOM 1546 OE1 GLU A 99 1.319 -4.697 -14.721 1.00 0.00 O ATOM 1547 OE2 GLU A 99 3.013 -3.637 -15.594 1.00 0.00 O ATOM 0 H GLU A 99 1.860 -3.437 -10.109 1.00 0.00 H new ATOM 0 HA GLU A 99 2.591 -2.505 -11.968 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.262 -3.388 -12.898 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -0.102 -1.675 -12.971 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.722 -1.894 -15.077 1.00 0.00 H new ATOM 0 HG3 GLU A 99 2.248 -1.601 -14.268 1.00 0.00 H new ATOM 1554 N LEU A 100 1.683 -0.302 -10.077 1.00 0.00 N ATOM 1555 CA LEU A 100 1.705 1.077 -9.580 1.00 0.00 C ATOM 1556 C LEU A 100 3.144 1.503 -9.290 1.00 0.00 C ATOM 1557 O LEU A 100 3.544 1.836 -8.172 1.00 0.00 O ATOM 1558 CB LEU A 100 0.764 1.279 -8.378 1.00 0.00 C ATOM 1559 CG LEU A 100 -0.650 1.796 -8.721 1.00 0.00 C ATOM 1560 CD1 LEU A 100 -0.588 3.221 -9.288 1.00 0.00 C ATOM 1561 CD2 LEU A 100 -1.435 0.914 -9.699 1.00 0.00 C ATOM 0 H LEU A 100 1.629 -0.990 -9.326 1.00 0.00 H new ATOM 0 HA LEU A 100 1.316 1.732 -10.359 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.667 0.330 -7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.231 1.981 -7.687 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.187 1.774 -7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.596 3.564 -9.522 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.141 3.887 -8.550 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.017 3.226 -10.195 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.415 1.355 -9.881 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.890 0.840 -10.640 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.559 -0.081 -9.272 1.00 0.00 H new ATOM 1573 N PHE A 101 3.940 1.516 -10.348 1.00 0.00 N ATOM 1574 CA PHE A 101 5.365 1.759 -10.247 1.00 0.00 C ATOM 1575 C PHE A 101 5.664 3.198 -9.844 1.00 0.00 C ATOM 1576 O PHE A 101 6.637 3.423 -9.136 1.00 0.00 O ATOM 1577 CB PHE A 101 6.061 1.400 -11.569 1.00 0.00 C ATOM 1578 CG PHE A 101 5.712 0.026 -12.111 1.00 0.00 C ATOM 1579 CD1 PHE A 101 5.654 -1.095 -11.258 1.00 0.00 C ATOM 1580 CD2 PHE A 101 5.391 -0.120 -13.473 1.00 0.00 C ATOM 1581 CE1 PHE A 101 5.206 -2.330 -11.754 1.00 0.00 C ATOM 1582 CE2 PHE A 101 4.958 -1.360 -13.968 1.00 0.00 C ATOM 1583 CZ PHE A 101 4.851 -2.461 -13.105 1.00 0.00 C ATOM 0 H PHE A 101 3.613 1.358 -11.301 1.00 0.00 H new ATOM 0 HA PHE A 101 5.760 1.117 -9.460 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.801 2.149 -12.317 1.00 0.00 H new ATOM 0 HB3 PHE A 101 7.140 1.456 -11.424 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.954 -1.004 -10.224 1.00 0.00 H new ATOM 0 HD2 PHE A 101 5.478 0.725 -14.140 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.135 -3.182 -11.094 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.707 -1.467 -15.013 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.495 -3.409 -13.481 1.00 0.00 H new ATOM 1593 N ALA A 102 4.837 4.173 -10.240 1.00 0.00 N ATOM 1594 CA ALA A 102 5.014 5.571 -9.853 1.00 0.00 C ATOM 1595 C ALA A 102 5.122 5.737 -8.321 1.00 0.00 C ATOM 1596 O ALA A 102 6.178 6.155 -7.846 1.00 0.00 O ATOM 1597 CB ALA A 102 3.921 6.439 -10.488 1.00 0.00 C ATOM 0 H ALA A 102 4.027 4.011 -10.838 1.00 0.00 H new ATOM 0 HA ALA A 102 5.968 5.925 -10.244 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.064 7.478 -10.192 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.978 6.360 -11.574 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.943 6.097 -10.150 1.00 0.00 H new ATOM 1603 N PRO A 103 4.094 5.413 -7.514 1.00 0.00 N ATOM 1604 CA PRO A 103 4.175 5.557 -6.063 1.00 0.00 C ATOM 1605 C PRO A 103 5.219 4.629 -5.415 1.00 0.00 C ATOM 1606 O PRO A 103 5.834 5.044 -4.433 1.00 0.00 O ATOM 1607 CB PRO A 103 2.761 5.321 -5.528 1.00 0.00 C ATOM 1608 CG PRO A 103 2.073 4.551 -6.644 1.00 0.00 C ATOM 1609 CD PRO A 103 2.755 5.026 -7.912 1.00 0.00 C ATOM 0 HA PRO A 103 4.527 6.555 -5.803 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.775 4.751 -4.599 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.251 6.261 -5.318 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.187 3.475 -6.512 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.003 4.758 -6.668 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.782 4.235 -8.662 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.219 5.866 -8.354 1.00 0.00 H new ATOM 1617 N ALA A 104 5.471 3.431 -5.967 1.00 0.00 N ATOM 1618 CA ALA A 104 6.561 2.550 -5.531 1.00 0.00 C ATOM 1619 C ALA A 104 7.881 3.323 -5.636 1.00 0.00 C ATOM 1620 O ALA A 104 8.615 3.427 -4.658 1.00 0.00 O ATOM 1621 CB ALA A 104 6.587 1.292 -6.409 1.00 0.00 C ATOM 0 H ALA A 104 4.919 3.046 -6.733 1.00 0.00 H new ATOM 0 HA ALA A 104 6.412 2.237 -4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.397 0.638 -6.084 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.637 0.765 -6.318 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.746 1.577 -7.449 1.00 0.00 H new ATOM 1627 N THR A 105 8.148 3.937 -6.791 1.00 0.00 N ATOM 1628 CA THR A 105 9.386 4.648 -7.048 1.00 0.00 C ATOM 1629 C THR A 105 9.495 5.867 -6.117 1.00 0.00 C ATOM 1630 O THR A 105 10.578 6.190 -5.635 1.00 0.00 O ATOM 1631 CB THR A 105 9.384 5.151 -8.507 1.00 0.00 C ATOM 1632 OG1 THR A 105 9.126 4.152 -9.468 1.00 0.00 O ATOM 1633 CG2 THR A 105 10.709 5.784 -8.912 1.00 0.00 C ATOM 0 H THR A 105 7.499 3.950 -7.578 1.00 0.00 H new ATOM 0 HA THR A 105 10.225 3.975 -6.874 1.00 0.00 H new ATOM 0 HB THR A 105 8.574 5.880 -8.505 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.158 4.060 -9.592 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.650 6.120 -9.947 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.918 6.636 -8.265 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.508 5.050 -8.813 1.00 0.00 H new ATOM 1641 N LEU A 106 8.386 6.580 -5.875 1.00 0.00 N ATOM 1642 CA LEU A 106 8.371 7.791 -5.057 1.00 0.00 C ATOM 1643 C LEU A 106 8.901 7.476 -3.658 1.00 0.00 C ATOM 1644 O LEU A 106 9.673 8.253 -3.080 1.00 0.00 O ATOM 1645 CB LEU A 106 6.931 8.336 -5.003 1.00 0.00 C ATOM 1646 CG LEU A 106 6.710 9.450 -3.960 1.00 0.00 C ATOM 1647 CD1 LEU A 106 7.457 10.739 -4.311 1.00 0.00 C ATOM 1648 CD2 LEU A 106 5.222 9.763 -3.807 1.00 0.00 C ATOM 0 H LEU A 106 7.470 6.327 -6.246 1.00 0.00 H new ATOM 0 HA LEU A 106 9.017 8.553 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.663 8.719 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.252 7.512 -4.786 1.00 0.00 H new ATOM 0 HG LEU A 106 7.110 9.071 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.267 11.490 -3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.527 10.537 -4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.110 11.110 -5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.090 10.552 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.819 10.094 -4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.693 8.867 -3.481 1.00 0.00 H new ATOM 1660 N LEU A 107 8.446 6.347 -3.117 1.00 0.00 N ATOM 1661 CA LEU A 107 8.843 5.833 -1.820 1.00 0.00 C ATOM 1662 C LEU A 107 10.277 5.325 -1.885 1.00 0.00 C ATOM 1663 O LEU A 107 11.072 5.661 -1.005 1.00 0.00 O ATOM 1664 CB LEU A 107 7.911 4.683 -1.409 1.00 0.00 C ATOM 1665 CG LEU A 107 6.462 5.108 -1.113 1.00 0.00 C ATOM 1666 CD1 LEU A 107 5.554 3.883 -1.188 1.00 0.00 C ATOM 1667 CD2 LEU A 107 6.323 5.787 0.257 1.00 0.00 C ATOM 0 H LEU A 107 7.768 5.750 -3.591 1.00 0.00 H new ATOM 0 HA LEU A 107 8.775 6.634 -1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.902 3.938 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.322 4.199 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 107 6.167 5.841 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.526 4.179 -0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.611 3.449 -2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.876 3.146 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.283 6.068 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.639 5.096 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.949 6.679 0.286 1.00 0.00 H new ATOM 1679 N LEU A 108 10.598 4.487 -2.876 1.00 0.00 N ATOM 1680 CA LEU A 108 11.855 3.758 -2.932 1.00 0.00 C ATOM 1681 C LEU A 108 12.207 3.512 -4.411 1.00 0.00 C ATOM 1682 O LEU A 108 11.803 2.505 -4.993 1.00 0.00 O ATOM 1683 CB LEU A 108 11.692 2.464 -2.122 1.00 0.00 C ATOM 1684 CG LEU A 108 12.945 1.977 -1.383 1.00 0.00 C ATOM 1685 CD1 LEU A 108 12.540 0.713 -0.615 1.00 0.00 C ATOM 1686 CD2 LEU A 108 14.161 1.743 -2.281 1.00 0.00 C ATOM 0 H LEU A 108 9.982 4.299 -3.667 1.00 0.00 H new ATOM 0 HA LEU A 108 12.682 4.316 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.897 2.613 -1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.361 1.674 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 108 13.285 2.762 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.401 0.326 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 108 11.744 0.955 0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.186 -0.042 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 108 15.000 1.401 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 108 13.921 0.987 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.430 2.674 -2.780 1.00 0.00 H new ATOM 1698 N PRO A 109 12.955 4.418 -5.058 1.00 0.00 N ATOM 1699 CA PRO A 109 13.164 4.414 -6.507 1.00 0.00 C ATOM 1700 C PRO A 109 14.059 3.268 -6.994 1.00 0.00 C ATOM 1701 O PRO A 109 14.262 3.102 -8.196 1.00 0.00 O ATOM 1702 CB PRO A 109 13.756 5.790 -6.829 1.00 0.00 C ATOM 1703 CG PRO A 109 14.480 6.171 -5.542 1.00 0.00 C ATOM 1704 CD PRO A 109 13.598 5.566 -4.450 1.00 0.00 C ATOM 0 HA PRO A 109 12.225 4.240 -7.032 1.00 0.00 H new ATOM 0 HB2 PRO A 109 14.440 5.745 -7.677 1.00 0.00 H new ATOM 0 HB3 PRO A 109 12.980 6.512 -7.083 1.00 0.00 H new ATOM 0 HG2 PRO A 109 15.491 5.764 -5.514 1.00 0.00 H new ATOM 0 HG3 PRO A 109 14.568 7.252 -5.435 1.00 0.00 H new ATOM 0 HD2 PRO A 109 14.192 5.270 -3.586 1.00 0.00 H new ATOM 0 HD3 PRO A 109 12.860 6.287 -4.098 1.00 0.00 H new ATOM 1712 N ASP A 110 14.612 2.487 -6.071 1.00 0.00 N ATOM 1713 CA ASP A 110 15.543 1.397 -6.331 1.00 0.00 C ATOM 1714 C ASP A 110 14.817 0.045 -6.328 1.00 0.00 C ATOM 1715 O ASP A 110 15.226 -0.887 -7.009 1.00 0.00 O ATOM 1716 CB ASP A 110 16.611 1.464 -5.231 1.00 0.00 C ATOM 1717 CG ASP A 110 17.929 0.828 -5.648 1.00 0.00 C ATOM 1718 OD1 ASP A 110 18.006 -0.414 -5.683 1.00 0.00 O ATOM 1719 OD2 ASP A 110 18.913 1.585 -5.840 1.00 0.00 O ATOM 0 H ASP A 110 14.414 2.603 -5.077 1.00 0.00 H new ATOM 0 HA ASP A 110 16.000 1.495 -7.316 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.785 2.506 -4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.238 0.963 -4.338 1.00 0.00 H new ATOM 1724 N ALA A 111 13.703 -0.050 -5.593 1.00 0.00 N ATOM 1725 CA ALA A 111 12.991 -1.288 -5.265 1.00 0.00 C ATOM 1726 C ALA A 111 11.996 -1.736 -6.338 1.00 0.00 C ATOM 1727 O ALA A 111 11.232 -2.683 -6.134 1.00 0.00 O ATOM 1728 CB ALA A 111 12.217 -1.025 -3.978 1.00 0.00 C ATOM 0 H ALA A 111 13.253 0.773 -5.193 1.00 0.00 H new ATOM 0 HA ALA A 111 13.730 -2.085 -5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.669 -1.923 -3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.913 -0.758 -3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.515 -0.206 -4.136 1.00 0.00 H new ATOM 1734 N VAL A 112 11.929 -1.016 -7.448 1.00 0.00 N ATOM 1735 CA VAL A 112 10.994 -1.236 -8.532 1.00 0.00 C ATOM 1736 C VAL A 112 11.856 -1.500 -9.768 1.00 0.00 C ATOM 1737 O VAL A 112 12.782 -0.723 -10.030 1.00 0.00 O ATOM 1738 CB VAL A 112 10.033 -0.039 -8.599 1.00 0.00 C ATOM 1739 CG1 VAL A 112 10.730 1.330 -8.579 1.00 0.00 C ATOM 1740 CG2 VAL A 112 9.088 -0.139 -9.800 1.00 0.00 C ATOM 0 H VAL A 112 12.554 -0.229 -7.621 1.00 0.00 H new ATOM 0 HA VAL A 112 10.333 -2.095 -8.415 1.00 0.00 H new ATOM 0 HB VAL A 112 9.450 -0.098 -7.680 1.00 0.00 H new ATOM 0 HG11 VAL A 112 9.981 2.120 -8.629 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.304 1.432 -7.658 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.400 1.410 -9.435 1.00 0.00 H new ATOM 0 HG21 VAL A 112 8.424 0.725 -9.813 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.671 -0.163 -10.721 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.496 -1.051 -9.722 1.00 0.00 H new ATOM 1750 N PRO A 113 11.631 -2.604 -10.501 1.00 0.00 N ATOM 1751 CA PRO A 113 12.597 -3.080 -11.480 1.00 0.00 C ATOM 1752 C PRO A 113 12.668 -2.171 -12.709 1.00 0.00 C ATOM 1753 O PRO A 113 13.746 -2.047 -13.291 1.00 0.00 O ATOM 1754 CB PRO A 113 12.172 -4.510 -11.819 1.00 0.00 C ATOM 1755 CG PRO A 113 10.671 -4.512 -11.543 1.00 0.00 C ATOM 1756 CD PRO A 113 10.540 -3.558 -10.359 1.00 0.00 C ATOM 0 HA PRO A 113 13.611 -3.065 -11.081 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.389 -4.757 -12.858 1.00 0.00 H new ATOM 0 HB3 PRO A 113 12.694 -5.241 -11.202 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.101 -4.166 -12.405 1.00 0.00 H new ATOM 0 HG3 PRO A 113 10.306 -5.510 -11.300 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.574 -3.053 -10.368 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.610 -4.095 -9.413 1.00 0.00 H new ATOM 1764 N GLN A 114 11.573 -1.496 -13.077 1.00 0.00 N ATOM 1765 CA GLN A 114 11.542 -0.545 -14.181 1.00 0.00 C ATOM 1766 C GLN A 114 12.517 0.597 -13.916 1.00 0.00 C ATOM 1767 O GLN A 114 12.381 1.355 -12.949 1.00 0.00 O ATOM 1768 CB GLN A 114 10.117 -0.023 -14.412 1.00 0.00 C ATOM 1769 CG GLN A 114 9.233 -1.076 -15.087 1.00 0.00 C ATOM 1770 CD GLN A 114 9.469 -1.200 -16.589 1.00 0.00 C ATOM 1771 OE1 GLN A 114 8.846 -0.501 -17.388 1.00 0.00 O ATOM 1772 NE2 GLN A 114 10.366 -2.076 -17.010 1.00 0.00 N ATOM 0 H GLN A 114 10.674 -1.600 -12.606 1.00 0.00 H new ATOM 0 HA GLN A 114 11.854 -1.055 -15.093 1.00 0.00 H new ATOM 0 HB2 GLN A 114 9.676 0.266 -13.458 1.00 0.00 H new ATOM 0 HB3 GLN A 114 10.153 0.873 -15.031 1.00 0.00 H new ATOM 0 HG2 GLN A 114 9.413 -2.044 -14.618 1.00 0.00 H new ATOM 0 HG3 GLN A 114 8.187 -0.826 -14.912 1.00 0.00 H new ATOM 0 HE21 GLN A 114 10.875 -2.649 -16.337 1.00 0.00 H new ATOM 0 HE22 GLN A 114 10.549 -2.179 -18.008 1.00 0.00 H new ATOM 1781 N THR A 115 13.522 0.696 -14.779 1.00 0.00 N ATOM 1782 CA THR A 115 14.499 1.765 -14.838 1.00 0.00 C ATOM 1783 C THR A 115 13.778 3.063 -15.230 1.00 0.00 C ATOM 1784 O THR A 115 13.644 3.363 -16.417 1.00 0.00 O ATOM 1785 CB THR A 115 15.582 1.327 -15.844 1.00 0.00 C ATOM 1786 OG1 THR A 115 16.122 0.077 -15.445 1.00 0.00 O ATOM 1787 CG2 THR A 115 16.734 2.317 -16.018 1.00 0.00 C ATOM 0 H THR A 115 13.681 -0.012 -15.496 1.00 0.00 H new ATOM 0 HA THR A 115 14.985 1.959 -13.882 1.00 0.00 H new ATOM 0 HB THR A 115 15.075 1.267 -16.807 1.00 0.00 H new ATOM 0 HG1 THR A 115 16.809 -0.202 -16.086 1.00 0.00 H new ATOM 0 HG21 THR A 115 17.445 1.923 -16.744 1.00 0.00 H new ATOM 0 HG22 THR A 115 16.344 3.271 -16.373 1.00 0.00 H new ATOM 0 HG23 THR A 115 17.235 2.464 -15.061 1.00 0.00 H new ATOM 1795 N VAL A 116 13.238 3.805 -14.260 1.00 0.00 N ATOM 1796 CA VAL A 116 12.626 5.109 -14.480 1.00 0.00 C ATOM 1797 C VAL A 116 12.611 5.871 -13.157 1.00 0.00 C ATOM 1798 O VAL A 116 12.174 5.366 -12.125 1.00 0.00 O ATOM 1799 CB VAL A 116 11.223 4.978 -15.115 1.00 0.00 C ATOM 1800 CG1 VAL A 116 10.258 4.076 -14.338 1.00 0.00 C ATOM 1801 CG2 VAL A 116 10.567 6.350 -15.317 1.00 0.00 C ATOM 0 H VAL A 116 13.216 3.508 -13.285 1.00 0.00 H new ATOM 0 HA VAL A 116 13.215 5.678 -15.199 1.00 0.00 H new ATOM 0 HB VAL A 116 11.406 4.500 -16.077 1.00 0.00 H new ATOM 0 HG11 VAL A 116 9.298 4.041 -14.853 1.00 0.00 H new ATOM 0 HG12 VAL A 116 10.673 3.070 -14.273 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.116 4.475 -13.334 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.582 6.220 -15.765 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.464 6.849 -14.354 1.00 0.00 H new ATOM 0 HG23 VAL A 116 11.188 6.957 -15.976 1.00 0.00 H new ATOM 1811 N LYS A 117 13.083 7.111 -13.195 1.00 0.00 N ATOM 1812 CA LYS A 117 13.122 8.061 -12.094 1.00 0.00 C ATOM 1813 C LYS A 117 13.162 9.447 -12.715 1.00 0.00 C ATOM 1814 O LYS A 117 13.473 9.577 -13.902 1.00 0.00 O ATOM 1815 CB LYS A 117 14.337 7.810 -11.181 1.00 0.00 C ATOM 1816 CG LYS A 117 15.724 7.935 -11.840 1.00 0.00 C ATOM 1817 CD LYS A 117 16.083 6.735 -12.728 1.00 0.00 C ATOM 1818 CE LYS A 117 17.578 6.668 -13.032 1.00 0.00 C ATOM 1819 NZ LYS A 117 17.875 5.565 -13.966 1.00 0.00 N ATOM 0 H LYS A 117 13.474 7.503 -14.052 1.00 0.00 H new ATOM 0 HA LYS A 117 12.245 7.954 -11.456 1.00 0.00 H new ATOM 0 HB2 LYS A 117 14.290 8.511 -10.348 1.00 0.00 H new ATOM 0 HB3 LYS A 117 14.247 6.809 -10.760 1.00 0.00 H new ATOM 0 HG2 LYS A 117 15.753 8.844 -12.440 1.00 0.00 H new ATOM 0 HG3 LYS A 117 16.480 8.042 -11.062 1.00 0.00 H new ATOM 0 HD2 LYS A 117 15.773 5.814 -12.234 1.00 0.00 H new ATOM 0 HD3 LYS A 117 15.526 6.798 -13.663 1.00 0.00 H new ATOM 0 HE2 LYS A 117 17.909 7.613 -13.462 1.00 0.00 H new ATOM 0 HE3 LYS A 117 18.136 6.526 -12.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 18.897 5.539 -14.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 17.579 4.662 -13.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 17.359 5.716 -14.856 1.00 0.00 H new ATOM 1833 N SER A 118 12.906 10.490 -11.936 1.00 0.00 N ATOM 1834 CA SER A 118 13.031 11.856 -12.409 1.00 0.00 C ATOM 1835 C SER A 118 13.313 12.756 -11.216 1.00 0.00 C ATOM 1836 O SER A 118 12.796 12.508 -10.120 1.00 0.00 O ATOM 1837 CB SER A 118 11.722 12.248 -13.100 1.00 0.00 C ATOM 1838 OG SER A 118 11.903 13.398 -13.898 1.00 0.00 O ATOM 0 H SER A 118 12.608 10.410 -10.964 1.00 0.00 H new ATOM 0 HA SER A 118 13.849 11.957 -13.122 1.00 0.00 H new ATOM 0 HB2 SER A 118 11.370 11.422 -13.718 1.00 0.00 H new ATOM 0 HB3 SER A 118 10.952 12.436 -12.352 1.00 0.00 H new ATOM 0 HG SER A 118 11.056 13.631 -14.332 1.00 0.00 H new ATOM 1844 N LEU A 119 14.079 13.825 -11.421 1.00 0.00 N ATOM 1845 CA LEU A 119 14.139 14.923 -10.463 1.00 0.00 C ATOM 1846 C LEU A 119 12.876 15.786 -10.617 1.00 0.00 C ATOM 1847 O LEU A 119 12.459 16.057 -11.750 1.00 0.00 O ATOM 1848 CB LEU A 119 15.428 15.747 -10.634 1.00 0.00 C ATOM 1849 CG LEU A 119 15.545 16.509 -11.973 1.00 0.00 C ATOM 1850 CD1 LEU A 119 15.108 17.978 -11.869 1.00 0.00 C ATOM 1851 CD2 LEU A 119 16.985 16.462 -12.485 1.00 0.00 C ATOM 0 H LEU A 119 14.667 13.953 -12.244 1.00 0.00 H new ATOM 0 HA LEU A 119 14.169 14.522 -9.450 1.00 0.00 H new ATOM 0 HB2 LEU A 119 15.492 16.466 -9.818 1.00 0.00 H new ATOM 0 HB3 LEU A 119 16.284 15.079 -10.538 1.00 0.00 H new ATOM 0 HG LEU A 119 14.871 16.008 -12.668 1.00 0.00 H new ATOM 0 HD11 LEU A 119 15.213 18.459 -12.842 1.00 0.00 H new ATOM 0 HD12 LEU A 119 14.066 18.026 -11.551 1.00 0.00 H new ATOM 0 HD13 LEU A 119 15.734 18.493 -11.140 1.00 0.00 H new ATOM 0 HD21 LEU A 119 17.053 17.003 -13.429 1.00 0.00 H new ATOM 0 HD22 LEU A 119 17.647 16.925 -11.753 1.00 0.00 H new ATOM 0 HD23 LEU A 119 17.283 15.425 -12.639 1.00 0.00 H new ATOM 1863 N PRO A 120 12.240 16.218 -9.522 1.00 0.00 N ATOM 1864 CA PRO A 120 11.292 17.325 -9.536 1.00 0.00 C ATOM 1865 C PRO A 120 12.048 18.669 -9.649 1.00 0.00 C ATOM 1866 O PRO A 120 13.081 18.836 -8.995 1.00 0.00 O ATOM 1867 CB PRO A 120 10.541 17.197 -8.210 1.00 0.00 C ATOM 1868 CG PRO A 120 11.561 16.548 -7.272 1.00 0.00 C ATOM 1869 CD PRO A 120 12.379 15.658 -8.191 1.00 0.00 C ATOM 0 HA PRO A 120 10.608 17.298 -10.384 1.00 0.00 H new ATOM 0 HB2 PRO A 120 10.218 18.169 -7.838 1.00 0.00 H new ATOM 0 HB3 PRO A 120 9.647 16.583 -8.315 1.00 0.00 H new ATOM 0 HG2 PRO A 120 12.184 17.295 -6.779 1.00 0.00 H new ATOM 0 HG3 PRO A 120 11.073 15.971 -6.486 1.00 0.00 H new ATOM 0 HD2 PRO A 120 13.425 15.637 -7.884 1.00 0.00 H new ATOM 0 HD3 PRO A 120 12.018 14.630 -8.161 1.00 0.00 H new ATOM 1877 N PRO A 121 11.558 19.648 -10.436 1.00 0.00 N ATOM 1878 CA PRO A 121 12.222 20.943 -10.615 1.00 0.00 C ATOM 1879 C PRO A 121 12.261 21.770 -9.322 1.00 0.00 C ATOM 1880 O PRO A 121 11.628 21.413 -8.323 1.00 0.00 O ATOM 1881 CB PRO A 121 11.450 21.648 -11.736 1.00 0.00 C ATOM 1882 CG PRO A 121 10.061 21.018 -11.677 1.00 0.00 C ATOM 1883 CD PRO A 121 10.346 19.585 -11.237 1.00 0.00 C ATOM 0 HA PRO A 121 13.272 20.813 -10.878 1.00 0.00 H new ATOM 0 HB2 PRO A 121 11.407 22.725 -11.575 1.00 0.00 H new ATOM 0 HB3 PRO A 121 11.920 21.489 -12.706 1.00 0.00 H new ATOM 0 HG2 PRO A 121 9.414 21.535 -10.969 1.00 0.00 H new ATOM 0 HG3 PRO A 121 9.563 21.050 -12.646 1.00 0.00 H new ATOM 0 HD2 PRO A 121 9.515 19.182 -10.658 1.00 0.00 H new ATOM 0 HD3 PRO A 121 10.481 18.931 -12.099 1.00 0.00 H new ATOM 1891 N SER A 122 12.994 22.883 -9.336 1.00 0.00 N ATOM 1892 CA SER A 122 13.456 23.578 -8.137 1.00 0.00 C ATOM 1893 C SER A 122 13.038 25.051 -8.153 1.00 0.00 C ATOM 1894 O SER A 122 13.108 25.709 -9.198 1.00 0.00 O ATOM 1895 CB SER A 122 14.987 23.465 -8.008 1.00 0.00 C ATOM 1896 OG SER A 122 15.609 22.723 -9.054 1.00 0.00 O ATOM 0 H SER A 122 13.289 23.336 -10.201 1.00 0.00 H new ATOM 0 HA SER A 122 12.989 23.102 -7.275 1.00 0.00 H new ATOM 0 HB2 SER A 122 15.413 24.468 -7.986 1.00 0.00 H new ATOM 0 HB3 SER A 122 15.226 22.996 -7.054 1.00 0.00 H new ATOM 0 HG SER A 122 16.577 22.696 -8.905 1.00 0.00 H new ATOM 1902 N GLY A 123 12.656 25.599 -7.000 1.00 0.00 N ATOM 1903 CA GLY A 123 12.379 27.020 -6.849 1.00 0.00 C ATOM 1904 C GLY A 123 12.188 27.403 -5.387 1.00 0.00 C ATOM 1905 O GLY A 123 11.057 27.396 -4.903 1.00 0.00 O ATOM 0 H GLY A 123 12.530 25.063 -6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.200 27.598 -7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 123 11.483 27.278 -7.413 1.00 0.00 H new ATOM 1909 N PRO A 124 13.254 27.712 -4.632 1.00 0.00 N ATOM 1910 CA PRO A 124 13.130 28.344 -3.325 1.00 0.00 C ATOM 1911 C PRO A 124 12.897 29.853 -3.514 1.00 0.00 C ATOM 1912 O PRO A 124 13.781 30.671 -3.237 1.00 0.00 O ATOM 1913 CB PRO A 124 14.449 28.005 -2.623 1.00 0.00 C ATOM 1914 CG PRO A 124 15.461 28.013 -3.771 1.00 0.00 C ATOM 1915 CD PRO A 124 14.656 27.503 -4.971 1.00 0.00 C ATOM 0 HA PRO A 124 12.286 27.998 -2.728 1.00 0.00 H new ATOM 0 HB2 PRO A 124 14.700 28.740 -1.858 1.00 0.00 H new ATOM 0 HB3 PRO A 124 14.406 27.034 -2.130 1.00 0.00 H new ATOM 0 HG2 PRO A 124 15.855 29.013 -3.950 1.00 0.00 H new ATOM 0 HG3 PRO A 124 16.313 27.368 -3.558 1.00 0.00 H new ATOM 0 HD2 PRO A 124 14.923 28.045 -5.879 1.00 0.00 H new ATOM 0 HD3 PRO A 124 14.859 26.449 -5.158 1.00 0.00 H new ATOM 1923 N SER A 125 11.734 30.255 -4.030 1.00 0.00 N ATOM 1924 CA SER A 125 11.356 31.663 -4.010 1.00 0.00 C ATOM 1925 C SER A 125 10.993 32.062 -2.575 1.00 0.00 C ATOM 1926 O SER A 125 10.678 31.206 -1.737 1.00 0.00 O ATOM 1927 CB SER A 125 10.236 31.944 -5.021 1.00 0.00 C ATOM 1928 OG SER A 125 9.185 31.002 -4.946 1.00 0.00 O ATOM 0 H SER A 125 11.049 29.634 -4.460 1.00 0.00 H new ATOM 0 HA SER A 125 12.196 32.283 -4.323 1.00 0.00 H new ATOM 0 HB2 SER A 125 9.836 32.943 -4.846 1.00 0.00 H new ATOM 0 HB3 SER A 125 10.652 31.939 -6.029 1.00 0.00 H new ATOM 0 HG SER A 125 8.497 31.226 -5.608 1.00 0.00 H new ATOM 1934 N SER A 126 11.010 33.357 -2.288 1.00 0.00 N ATOM 1935 CA SER A 126 10.567 33.944 -1.033 1.00 0.00 C ATOM 1936 C SER A 126 9.662 35.142 -1.349 1.00 0.00 C ATOM 1937 O SER A 126 9.401 35.461 -2.522 1.00 0.00 O ATOM 1938 CB SER A 126 11.800 34.300 -0.186 1.00 0.00 C ATOM 1939 OG SER A 126 12.757 35.044 -0.916 1.00 0.00 O ATOM 0 H SER A 126 11.347 34.055 -2.951 1.00 0.00 H new ATOM 0 HA SER A 126 9.975 33.247 -0.440 1.00 0.00 H new ATOM 0 HB2 SER A 126 11.486 34.873 0.686 1.00 0.00 H new ATOM 0 HB3 SER A 126 12.261 33.384 0.184 1.00 0.00 H new ATOM 0 HG SER A 126 13.522 35.249 -0.338 1.00 0.00 H new ATOM 1945 N GLY A 127 9.119 35.799 -0.327 1.00 0.00 N ATOM 1946 CA GLY A 127 8.192 36.895 -0.527 1.00 0.00 C ATOM 1947 C GLY A 127 7.575 37.331 0.776 1.00 0.00 C ATOM 1948 O GLY A 127 6.502 37.967 0.703 1.00 0.00 O ATOM 0 H GLY A 127 9.311 35.585 0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 127 8.712 37.736 -0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 127 7.408 36.590 -1.220 1.00 0.00 H new TER 1952 GLY A 127