USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 862 hydrogens (19 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 36 HIS : no HD1:sc= -2.99! C(o=-1.6!,f=-5.8!) USER MOD Set 1.2: A 50 SER OG : rot 121:sc= 1.4 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0657 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0306 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 168:sc= -0.673 USER MOD Single : A 10 THR OG1 : rot -70:sc= 0.798 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.599 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.462 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0854 USER MOD Single : A 34 SER OG : rot 180:sc= -0.162 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 171:sc= 0.303 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.246) USER MOD Single : A 49 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.45) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 77 MET CE :methyl 158:sc= -1.08 (180deg=-3.01) USER MOD Single : A 78 LYS NZ :NH3+ -145:sc= 0.0208 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0815 X(o=-0.082,f=0) USER MOD Single : A 93 TYR OH : rot -176:sc= 0.14 USER MOD Single : A 105 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.27) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.936 5.728 -15.829 1.00 0.00 N ATOM 2 CA GLY A 1 12.772 5.927 -14.986 1.00 0.00 C ATOM 3 C GLY A 1 12.104 7.266 -15.226 1.00 0.00 C ATOM 4 O GLY A 1 12.664 8.157 -15.865 1.00 0.00 O ATOM 0 H1 GLY A 1 13.753 4.950 -16.495 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.133 6.600 -16.361 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.757 5.491 -15.237 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.054 5.128 -15.170 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.069 5.855 -13.940 1.00 0.00 H new ATOM 8 N PRO A 2 10.876 7.421 -14.708 1.00 0.00 N ATOM 9 CA PRO A 2 10.105 8.659 -14.858 1.00 0.00 C ATOM 10 C PRO A 2 10.696 9.812 -14.055 1.00 0.00 C ATOM 11 O PRO A 2 11.260 9.608 -12.981 1.00 0.00 O ATOM 12 CB PRO A 2 8.723 8.283 -14.316 1.00 0.00 C ATOM 13 CG PRO A 2 8.980 7.161 -13.370 1.00 0.00 C ATOM 14 CD PRO A 2 10.148 6.401 -13.936 1.00 0.00 C ATOM 0 HA PRO A 2 10.093 9.009 -15.890 1.00 0.00 H new ATOM 0 HB2 PRO A 2 8.253 9.127 -13.811 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.052 7.978 -15.119 1.00 0.00 H new ATOM 0 HG2 PRO A 2 9.205 7.536 -12.372 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.104 6.519 -13.279 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.769 5.974 -13.149 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.822 5.575 -14.568 1.00 0.00 H new ATOM 22 N GLY A 3 10.563 11.025 -14.583 1.00 0.00 N ATOM 23 CA GLY A 3 11.089 12.193 -13.901 1.00 0.00 C ATOM 24 C GLY A 3 10.062 12.850 -13.001 1.00 0.00 C ATOM 25 O GLY A 3 9.929 14.074 -12.990 1.00 0.00 O ATOM 0 H GLY A 3 10.100 11.220 -15.471 1.00 0.00 H new ATOM 0 HA2 GLY A 3 11.956 11.903 -13.307 1.00 0.00 H new ATOM 0 HA3 GLY A 3 11.436 12.916 -14.640 1.00 0.00 H new ATOM 29 N SER A 4 9.333 12.036 -12.245 1.00 0.00 N ATOM 30 CA SER A 4 8.308 12.546 -11.341 1.00 0.00 C ATOM 31 C SER A 4 8.448 11.923 -9.955 1.00 0.00 C ATOM 32 O SER A 4 7.459 11.716 -9.253 1.00 0.00 O ATOM 33 CB SER A 4 6.915 12.259 -11.903 1.00 0.00 C ATOM 34 OG SER A 4 6.539 10.912 -11.673 1.00 0.00 O ATOM 0 H SER A 4 9.433 11.021 -12.240 1.00 0.00 H new ATOM 0 HA SER A 4 8.441 13.624 -11.251 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.188 12.927 -11.440 1.00 0.00 H new ATOM 0 HB3 SER A 4 6.902 12.466 -12.973 1.00 0.00 H new ATOM 0 HG SER A 4 5.644 10.755 -12.040 1.00 0.00 H new ATOM 40 N MET A 5 9.685 11.628 -9.568 1.00 0.00 N ATOM 41 CA MET A 5 9.956 11.030 -8.266 1.00 0.00 C ATOM 42 C MET A 5 10.611 12.040 -7.329 1.00 0.00 C ATOM 43 O MET A 5 10.481 11.947 -6.108 1.00 0.00 O ATOM 44 CB MET A 5 10.856 9.803 -8.421 1.00 0.00 C ATOM 45 CG MET A 5 10.169 8.627 -9.097 1.00 0.00 C ATOM 46 SD MET A 5 10.888 7.041 -8.630 1.00 0.00 S ATOM 47 CE MET A 5 9.482 6.246 -7.856 1.00 0.00 C ATOM 0 H MET A 5 10.515 11.793 -10.137 1.00 0.00 H new ATOM 0 HA MET A 5 9.005 10.721 -7.832 1.00 0.00 H new ATOM 0 HB2 MET A 5 11.737 10.080 -8.999 1.00 0.00 H new ATOM 0 HB3 MET A 5 11.205 9.492 -7.436 1.00 0.00 H new ATOM 0 HG2 MET A 5 9.110 8.632 -8.838 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.233 8.746 -10.179 1.00 0.00 H new ATOM 0 HE1 MET A 5 9.769 5.252 -7.513 1.00 0.00 H new ATOM 0 HE2 MET A 5 9.150 6.841 -7.005 1.00 0.00 H new ATOM 0 HE3 MET A 5 8.670 6.160 -8.578 1.00 0.00 H new ATOM 57 N THR A 6 11.316 13.007 -7.909 1.00 0.00 N ATOM 58 CA THR A 6 11.993 14.034 -7.126 1.00 0.00 C ATOM 59 C THR A 6 11.398 15.411 -7.395 1.00 0.00 C ATOM 60 O THR A 6 10.704 15.615 -8.391 1.00 0.00 O ATOM 61 CB THR A 6 13.502 14.070 -7.433 1.00 0.00 C ATOM 62 OG1 THR A 6 13.986 12.743 -7.669 1.00 0.00 O ATOM 63 CG2 THR A 6 14.273 14.699 -6.282 1.00 0.00 C ATOM 0 H THR A 6 11.433 13.100 -8.918 1.00 0.00 H new ATOM 0 HA THR A 6 11.849 13.778 -6.076 1.00 0.00 H new ATOM 0 HB THR A 6 13.654 14.676 -8.326 1.00 0.00 H new ATOM 0 HG1 THR A 6 14.946 12.775 -7.865 1.00 0.00 H new ATOM 0 HG21 THR A 6 15.336 14.714 -6.521 1.00 0.00 H new ATOM 0 HG22 THR A 6 13.923 15.719 -6.124 1.00 0.00 H new ATOM 0 HG23 THR A 6 14.113 14.116 -5.375 1.00 0.00 H new ATOM 71 N VAL A 7 11.676 16.355 -6.502 1.00 0.00 N ATOM 72 CA VAL A 7 11.169 17.715 -6.644 1.00 0.00 C ATOM 73 C VAL A 7 12.247 18.649 -7.182 1.00 0.00 C ATOM 74 O VAL A 7 13.355 18.710 -6.649 1.00 0.00 O ATOM 75 CB VAL A 7 10.653 18.265 -5.301 1.00 0.00 C ATOM 76 CG1 VAL A 7 11.754 18.233 -4.252 1.00 0.00 C ATOM 77 CG2 VAL A 7 10.113 19.676 -5.475 1.00 0.00 C ATOM 0 H VAL A 7 12.250 16.203 -5.672 1.00 0.00 H new ATOM 0 HA VAL A 7 10.342 17.672 -7.352 1.00 0.00 H new ATOM 0 HB VAL A 7 9.838 17.628 -4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.371 18.625 -3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.089 17.206 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 7 12.592 18.845 -4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.753 20.049 -4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.907 20.327 -5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.292 19.666 -6.192 1.00 0.00 H new ATOM 87 N VAL A 8 11.914 19.378 -8.244 1.00 0.00 N ATOM 88 CA VAL A 8 12.852 20.311 -8.855 1.00 0.00 C ATOM 89 C VAL A 8 12.386 21.752 -8.681 1.00 0.00 C ATOM 90 O VAL A 8 11.188 22.038 -8.719 1.00 0.00 O ATOM 91 CB VAL A 8 13.037 20.020 -10.356 1.00 0.00 C ATOM 92 CG1 VAL A 8 11.694 20.029 -11.070 1.00 0.00 C ATOM 93 CG2 VAL A 8 13.989 21.028 -10.981 1.00 0.00 C ATOM 0 H VAL A 8 11.001 19.340 -8.698 1.00 0.00 H new ATOM 0 HA VAL A 8 13.807 20.177 -8.347 1.00 0.00 H new ATOM 0 HB VAL A 8 13.474 19.027 -10.465 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.844 19.822 -12.130 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.047 19.265 -10.639 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.227 21.007 -10.954 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.108 20.807 -12.042 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.584 22.033 -10.863 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.959 20.967 -10.487 1.00 0.00 H new ATOM 103 N THR A 9 13.339 22.659 -8.491 1.00 0.00 N ATOM 104 CA THR A 9 13.027 24.071 -8.311 1.00 0.00 C ATOM 105 C THR A 9 13.636 24.915 -9.425 1.00 0.00 C ATOM 106 O THR A 9 14.734 24.631 -9.905 1.00 0.00 O ATOM 107 CB THR A 9 13.534 24.590 -6.953 1.00 0.00 C ATOM 108 OG1 THR A 9 12.900 23.875 -5.887 1.00 0.00 O ATOM 109 CG2 THR A 9 13.259 26.079 -6.805 1.00 0.00 C ATOM 0 H THR A 9 14.335 22.440 -8.458 1.00 0.00 H new ATOM 0 HA THR A 9 11.941 24.161 -8.343 1.00 0.00 H new ATOM 0 HB THR A 9 14.611 24.429 -6.908 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.360 24.069 -5.044 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.626 26.422 -5.838 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.768 26.624 -7.600 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.186 26.259 -6.871 1.00 0.00 H new ATOM 117 N THR A 10 12.917 25.957 -9.833 1.00 0.00 N ATOM 118 CA THR A 10 13.387 26.842 -10.890 1.00 0.00 C ATOM 119 C THR A 10 14.413 27.837 -10.359 1.00 0.00 C ATOM 120 O THR A 10 14.765 27.808 -9.181 1.00 0.00 O ATOM 121 CB THR A 10 12.221 27.618 -11.532 1.00 0.00 C ATOM 122 OG1 THR A 10 11.569 28.427 -10.547 1.00 0.00 O ATOM 123 CG2 THR A 10 11.216 26.664 -12.158 1.00 0.00 C ATOM 0 H THR A 10 12.007 26.208 -9.447 1.00 0.00 H new ATOM 0 HA THR A 10 13.855 26.211 -11.646 1.00 0.00 H new ATOM 0 HB THR A 10 12.627 28.258 -12.315 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.084 27.851 -9.919 1.00 0.00 H new ATOM 0 HG21 THR A 10 10.402 27.235 -12.605 1.00 0.00 H new ATOM 0 HG22 THR A 10 11.709 26.071 -12.928 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.816 26.002 -11.390 1.00 0.00 H new ATOM 131 N GLU A 11 14.888 28.715 -11.237 1.00 0.00 N ATOM 132 CA GLU A 11 15.874 29.719 -10.854 1.00 0.00 C ATOM 133 C GLU A 11 15.203 30.912 -10.179 1.00 0.00 C ATOM 134 O GLU A 11 15.776 31.536 -9.286 1.00 0.00 O ATOM 135 CB GLU A 11 16.659 30.188 -12.081 1.00 0.00 C ATOM 136 CG GLU A 11 17.833 29.290 -12.433 1.00 0.00 C ATOM 137 CD GLU A 11 17.418 28.082 -13.251 1.00 0.00 C ATOM 138 OE1 GLU A 11 16.460 28.202 -14.043 1.00 0.00 O ATOM 139 OE2 GLU A 11 18.053 27.018 -13.099 1.00 0.00 O ATOM 0 H GLU A 11 14.607 28.751 -12.217 1.00 0.00 H new ATOM 0 HA GLU A 11 16.563 29.262 -10.143 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.984 30.241 -12.935 1.00 0.00 H new ATOM 0 HB3 GLU A 11 17.026 31.199 -11.902 1.00 0.00 H new ATOM 0 HG2 GLU A 11 18.572 29.866 -12.991 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.317 28.954 -11.516 1.00 0.00 H new ATOM 146 N SER A 12 13.986 31.222 -10.613 1.00 0.00 N ATOM 147 CA SER A 12 13.238 32.342 -10.054 1.00 0.00 C ATOM 148 C SER A 12 12.761 32.025 -8.640 1.00 0.00 C ATOM 149 O SER A 12 12.600 32.921 -7.811 1.00 0.00 O ATOM 150 CB SER A 12 12.040 32.678 -10.945 1.00 0.00 C ATOM 151 OG SER A 12 12.423 32.752 -12.307 1.00 0.00 O ATOM 0 H SER A 12 13.497 30.714 -11.350 1.00 0.00 H new ATOM 0 HA SER A 12 13.903 33.205 -10.010 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.267 31.919 -10.822 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.606 33.628 -10.634 1.00 0.00 H new ATOM 0 HG SER A 12 11.640 32.966 -12.856 1.00 0.00 H new ATOM 157 N GLY A 13 12.536 30.742 -8.371 1.00 0.00 N ATOM 158 CA GLY A 13 12.079 30.329 -7.057 1.00 0.00 C ATOM 159 C GLY A 13 10.861 29.429 -7.123 1.00 0.00 C ATOM 160 O GLY A 13 10.611 28.641 -6.210 1.00 0.00 O ATOM 0 H GLY A 13 12.662 29.982 -9.039 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.886 29.806 -6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.842 31.212 -6.464 1.00 0.00 H new ATOM 164 N LEU A 14 10.099 29.546 -8.205 1.00 0.00 N ATOM 165 CA LEU A 14 8.899 28.737 -8.387 1.00 0.00 C ATOM 166 C LEU A 14 9.206 27.255 -8.196 1.00 0.00 C ATOM 167 O LEU A 14 10.259 26.770 -8.610 1.00 0.00 O ATOM 168 CB LEU A 14 8.307 28.972 -9.778 1.00 0.00 C ATOM 169 CG LEU A 14 7.312 27.921 -10.270 1.00 0.00 C ATOM 170 CD1 LEU A 14 6.071 27.908 -9.391 1.00 0.00 C ATOM 171 CD2 LEU A 14 6.937 28.180 -11.722 1.00 0.00 C ATOM 0 H LEU A 14 10.291 30.193 -8.970 1.00 0.00 H new ATOM 0 HA LEU A 14 8.171 29.038 -7.634 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.811 29.942 -9.781 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.126 29.031 -10.494 1.00 0.00 H new ATOM 0 HG LEU A 14 7.787 26.942 -10.207 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.374 27.154 -9.757 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.354 27.673 -8.365 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.594 28.888 -9.421 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.228 27.422 -12.055 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.482 29.166 -11.810 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.832 28.137 -12.342 1.00 0.00 H new ATOM 183 N LYS A 15 8.279 26.540 -7.569 1.00 0.00 N ATOM 184 CA LYS A 15 8.448 25.112 -7.326 1.00 0.00 C ATOM 185 C LYS A 15 7.152 24.357 -7.601 1.00 0.00 C ATOM 186 O LYS A 15 6.073 24.949 -7.642 1.00 0.00 O ATOM 187 CB LYS A 15 8.895 24.869 -5.882 1.00 0.00 C ATOM 188 CG LYS A 15 9.984 25.819 -5.415 1.00 0.00 C ATOM 189 CD LYS A 15 10.614 25.348 -4.115 1.00 0.00 C ATOM 190 CE LYS A 15 10.753 26.489 -3.118 1.00 0.00 C ATOM 191 NZ LYS A 15 11.959 26.331 -2.259 1.00 0.00 N ATOM 0 H LYS A 15 7.402 26.926 -7.219 1.00 0.00 H new ATOM 0 HA LYS A 15 9.216 24.741 -8.005 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.033 24.966 -5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.254 23.844 -5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.752 25.900 -6.184 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.564 26.816 -5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.005 24.556 -3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.595 24.920 -4.319 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.811 27.436 -3.655 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.863 26.533 -2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.018 27.128 -1.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.892 25.440 -1.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.811 26.315 -2.856 1.00 0.00 H new ATOM 205 N TYR A 16 7.265 23.047 -7.790 1.00 0.00 N ATOM 206 CA TYR A 16 6.102 22.210 -8.062 1.00 0.00 C ATOM 207 C TYR A 16 6.355 20.769 -7.630 1.00 0.00 C ATOM 208 O TYR A 16 7.453 20.241 -7.803 1.00 0.00 O ATOM 209 CB TYR A 16 5.754 22.255 -9.551 1.00 0.00 C ATOM 210 CG TYR A 16 6.954 22.107 -10.459 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.508 20.858 -10.714 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.535 23.216 -11.061 1.00 0.00 C ATOM 213 CE1 TYR A 16 8.605 20.719 -11.542 1.00 0.00 C ATOM 214 CE2 TYR A 16 8.631 23.086 -11.892 1.00 0.00 C ATOM 215 CZ TYR A 16 9.163 21.836 -12.128 1.00 0.00 C ATOM 216 OH TYR A 16 10.255 21.701 -12.955 1.00 0.00 O ATOM 0 H TYR A 16 8.150 22.541 -7.760 1.00 0.00 H new ATOM 0 HA TYR A 16 5.262 22.600 -7.487 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.041 21.461 -9.773 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.257 23.200 -9.771 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.073 19.981 -10.257 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.123 24.197 -10.876 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.023 19.741 -11.729 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.069 23.959 -12.354 1.00 0.00 H new ATOM 0 HH TYR A 16 10.525 22.583 -13.287 1.00 0.00 H new ATOM 226 N GLU A 17 5.328 20.138 -7.068 1.00 0.00 N ATOM 227 CA GLU A 17 5.438 18.758 -6.611 1.00 0.00 C ATOM 228 C GLU A 17 4.293 17.911 -7.157 1.00 0.00 C ATOM 229 O GLU A 17 3.123 18.175 -6.879 1.00 0.00 O ATOM 230 CB GLU A 17 5.444 18.703 -5.082 1.00 0.00 C ATOM 231 CG GLU A 17 5.779 17.330 -4.524 1.00 0.00 C ATOM 232 CD GLU A 17 5.503 17.222 -3.036 1.00 0.00 C ATOM 233 OE1 GLU A 17 4.371 17.541 -2.617 1.00 0.00 O ATOM 234 OE2 GLU A 17 6.421 16.818 -2.292 1.00 0.00 O ATOM 0 H GLU A 17 4.412 20.560 -6.919 1.00 0.00 H new ATOM 0 HA GLU A 17 6.378 18.352 -6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.167 19.426 -4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.465 19.007 -4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.198 16.575 -5.053 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.830 17.112 -4.712 1.00 0.00 H new ATOM 241 N ASP A 18 4.638 16.892 -7.937 1.00 0.00 N ATOM 242 CA ASP A 18 3.640 16.005 -8.523 1.00 0.00 C ATOM 243 C ASP A 18 2.749 15.400 -7.442 1.00 0.00 C ATOM 244 O ASP A 18 3.232 14.969 -6.394 1.00 0.00 O ATOM 245 CB ASP A 18 4.321 14.893 -9.322 1.00 0.00 C ATOM 246 CG ASP A 18 5.406 14.192 -8.529 1.00 0.00 C ATOM 247 OD1 ASP A 18 5.069 13.307 -7.715 1.00 0.00 O ATOM 248 OD2 ASP A 18 6.593 14.527 -8.724 1.00 0.00 O ATOM 0 H ASP A 18 5.602 16.660 -8.178 1.00 0.00 H new ATOM 0 HA ASP A 18 3.016 16.594 -9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.574 14.163 -9.633 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.753 15.314 -10.230 1.00 0.00 H new ATOM 253 N LEU A 19 1.447 15.371 -7.703 1.00 0.00 N ATOM 254 CA LEU A 19 0.488 14.820 -6.753 1.00 0.00 C ATOM 255 C LEU A 19 -0.306 13.679 -7.380 1.00 0.00 C ATOM 256 O LEU A 19 -0.623 12.690 -6.718 1.00 0.00 O ATOM 257 CB LEU A 19 -0.465 15.913 -6.267 1.00 0.00 C ATOM 258 CG LEU A 19 -0.165 16.502 -4.888 1.00 0.00 C ATOM 259 CD1 LEU A 19 1.205 17.163 -4.877 1.00 0.00 C ATOM 260 CD2 LEU A 19 -1.243 17.497 -4.486 1.00 0.00 C ATOM 0 H LEU A 19 1.031 15.723 -8.565 1.00 0.00 H new ATOM 0 HA LEU A 19 1.043 14.426 -5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.457 16.724 -6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.476 15.506 -6.254 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.160 15.690 -4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.402 17.577 -3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.968 16.423 -5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.229 17.964 -5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.012 17.906 -3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.281 18.306 -5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.209 16.993 -4.452 1.00 0.00 H new ATOM 272 N THR A 20 -0.624 13.821 -8.663 1.00 0.00 N ATOM 273 CA THR A 20 -1.380 12.803 -9.381 1.00 0.00 C ATOM 274 C THR A 20 -1.005 12.780 -10.859 1.00 0.00 C ATOM 275 O THR A 20 -1.238 13.748 -11.582 1.00 0.00 O ATOM 276 CB THR A 20 -2.897 13.033 -9.251 1.00 0.00 C ATOM 277 OG1 THR A 20 -3.211 13.497 -7.933 1.00 0.00 O ATOM 278 CG2 THR A 20 -3.666 11.753 -9.541 1.00 0.00 C ATOM 0 H THR A 20 -0.369 14.632 -9.226 1.00 0.00 H new ATOM 0 HA THR A 20 -1.126 11.844 -8.930 1.00 0.00 H new ATOM 0 HB THR A 20 -3.191 13.787 -9.981 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.177 13.642 -7.859 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.735 11.941 -9.443 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.448 11.419 -10.555 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.367 10.980 -8.833 1.00 0.00 H new ATOM 286 N GLU A 21 -0.425 11.668 -11.300 1.00 0.00 N ATOM 287 CA GLU A 21 -0.019 11.521 -12.693 1.00 0.00 C ATOM 288 C GLU A 21 -1.202 11.740 -13.631 1.00 0.00 C ATOM 289 O GLU A 21 -2.262 11.138 -13.462 1.00 0.00 O ATOM 290 CB GLU A 21 0.583 10.133 -12.928 1.00 0.00 C ATOM 291 CG GLU A 21 1.355 10.017 -14.231 1.00 0.00 C ATOM 292 CD GLU A 21 2.259 8.800 -14.267 1.00 0.00 C ATOM 293 OE1 GLU A 21 1.735 7.678 -14.430 1.00 0.00 O ATOM 294 OE2 GLU A 21 3.489 8.970 -14.133 1.00 0.00 O ATOM 0 H GLU A 21 -0.226 10.857 -10.714 1.00 0.00 H new ATOM 0 HA GLU A 21 0.736 12.278 -12.906 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.247 9.889 -12.099 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.218 9.393 -12.923 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.652 9.967 -15.062 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.955 10.915 -14.374 1.00 0.00 H new ATOM 301 N GLY A 22 -1.013 12.607 -14.621 1.00 0.00 N ATOM 302 CA GLY A 22 -2.072 12.891 -15.571 1.00 0.00 C ATOM 303 C GLY A 22 -1.706 12.488 -16.986 1.00 0.00 C ATOM 304 O GLY A 22 -0.958 13.191 -17.664 1.00 0.00 O ATOM 0 H GLY A 22 -0.145 13.118 -14.782 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.977 12.364 -15.269 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.301 13.957 -15.548 1.00 0.00 H new ATOM 308 N SER A 23 -2.233 11.352 -17.431 1.00 0.00 N ATOM 309 CA SER A 23 -1.953 10.854 -18.772 1.00 0.00 C ATOM 310 C SER A 23 -3.052 11.268 -19.747 1.00 0.00 C ATOM 311 O SER A 23 -3.682 10.426 -20.385 1.00 0.00 O ATOM 312 CB SER A 23 -1.820 9.330 -18.755 1.00 0.00 C ATOM 313 OG SER A 23 -0.712 8.924 -17.970 1.00 0.00 O ATOM 0 H SER A 23 -2.856 10.759 -16.882 1.00 0.00 H new ATOM 0 HA SER A 23 -1.012 11.291 -19.105 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.733 8.886 -18.358 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.703 8.961 -19.774 1.00 0.00 H new ATOM 0 HG SER A 23 -0.649 7.946 -17.974 1.00 0.00 H new ATOM 319 N GLY A 24 -3.276 12.575 -19.855 1.00 0.00 N ATOM 320 CA GLY A 24 -4.298 13.080 -20.753 1.00 0.00 C ATOM 321 C GLY A 24 -3.723 13.931 -21.866 1.00 0.00 C ATOM 322 O GLY A 24 -3.575 13.469 -22.997 1.00 0.00 O ATOM 0 H GLY A 24 -2.768 13.292 -19.337 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.843 12.241 -21.186 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.018 13.669 -20.185 1.00 0.00 H new ATOM 326 N ALA A 25 -3.398 15.180 -21.547 1.00 0.00 N ATOM 327 CA ALA A 25 -2.835 16.098 -22.529 1.00 0.00 C ATOM 328 C ALA A 25 -2.266 17.342 -21.855 1.00 0.00 C ATOM 329 O ALA A 25 -2.938 17.985 -21.050 1.00 0.00 O ATOM 330 CB ALA A 25 -3.891 16.487 -23.554 1.00 0.00 C ATOM 0 H ALA A 25 -3.515 15.579 -20.616 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.018 15.588 -23.040 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.457 17.173 -24.281 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.248 15.593 -24.066 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.726 16.974 -23.050 1.00 0.00 H new ATOM 336 N GLU A 26 -1.023 17.674 -22.190 1.00 0.00 N ATOM 337 CA GLU A 26 -0.363 18.840 -21.615 1.00 0.00 C ATOM 338 C GLU A 26 -1.086 20.124 -22.010 1.00 0.00 C ATOM 339 O GLU A 26 -1.412 20.331 -23.179 1.00 0.00 O ATOM 340 CB GLU A 26 1.097 18.904 -22.068 1.00 0.00 C ATOM 341 CG GLU A 26 1.872 20.063 -21.465 1.00 0.00 C ATOM 342 CD GLU A 26 3.288 20.159 -21.999 1.00 0.00 C ATOM 343 OE1 GLU A 26 4.131 19.331 -21.596 1.00 0.00 O ATOM 344 OE2 GLU A 26 3.553 21.062 -22.820 1.00 0.00 O ATOM 0 H GLU A 26 -0.453 17.152 -22.856 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.395 18.744 -20.530 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.592 17.970 -21.802 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.128 18.984 -23.155 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.345 20.994 -21.673 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.903 19.950 -20.381 1.00 0.00 H new ATOM 351 N ALA A 27 -1.334 20.984 -21.027 1.00 0.00 N ATOM 352 CA ALA A 27 -2.016 22.248 -21.272 1.00 0.00 C ATOM 353 C ALA A 27 -1.340 23.029 -22.393 1.00 0.00 C ATOM 354 O ALA A 27 -0.136 23.280 -22.349 1.00 0.00 O ATOM 355 CB ALA A 27 -2.059 23.080 -19.998 1.00 0.00 C ATOM 0 H ALA A 27 -1.072 20.828 -20.054 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.037 22.027 -21.584 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.571 24.022 -20.196 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.594 22.531 -19.223 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.042 23.284 -19.662 1.00 0.00 H new ATOM 361 N ARG A 28 -2.123 23.410 -23.398 1.00 0.00 N ATOM 362 CA ARG A 28 -1.599 24.161 -24.532 1.00 0.00 C ATOM 363 C ARG A 28 -1.669 25.662 -24.270 1.00 0.00 C ATOM 364 O ARG A 28 -2.401 26.115 -23.391 1.00 0.00 O ATOM 365 CB ARG A 28 -2.379 23.817 -25.803 1.00 0.00 C ATOM 366 CG ARG A 28 -2.073 22.432 -26.349 1.00 0.00 C ATOM 367 CD ARG A 28 -0.865 22.451 -27.273 1.00 0.00 C ATOM 368 NE ARG A 28 -0.937 21.407 -28.291 1.00 0.00 N ATOM 369 CZ ARG A 28 0.079 21.079 -29.081 1.00 0.00 C ATOM 370 NH1 ARG A 28 1.239 21.711 -28.971 1.00 0.00 N ATOM 371 NH2 ARG A 28 -0.065 20.118 -29.984 1.00 0.00 N ATOM 0 H ARG A 28 -3.122 23.211 -23.449 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.554 23.882 -24.668 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.447 23.888 -25.595 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.154 24.558 -26.569 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.889 21.746 -25.522 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.940 22.053 -26.890 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.795 23.425 -27.757 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.043 22.321 -26.685 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.816 20.902 -28.402 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.353 22.451 -28.278 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.018 21.457 -29.579 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.957 19.630 -30.072 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.716 19.867 -30.590 1.00 0.00 H new ATOM 385 N ALA A 29 -0.903 26.429 -25.039 1.00 0.00 N ATOM 386 CA ALA A 29 -0.880 27.879 -24.891 1.00 0.00 C ATOM 387 C ALA A 29 -1.829 28.547 -25.881 1.00 0.00 C ATOM 388 O ALA A 29 -2.050 28.043 -26.981 1.00 0.00 O ATOM 389 CB ALA A 29 0.535 28.406 -25.077 1.00 0.00 C ATOM 0 H ALA A 29 -0.290 26.070 -25.771 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.217 28.122 -23.883 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.537 29.490 -24.964 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.190 27.962 -24.328 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.893 28.144 -26.073 1.00 0.00 H new ATOM 395 N GLY A 30 -2.389 29.684 -25.481 1.00 0.00 N ATOM 396 CA GLY A 30 -3.308 30.402 -26.344 1.00 0.00 C ATOM 397 C GLY A 30 -4.703 29.809 -26.326 1.00 0.00 C ATOM 398 O GLY A 30 -5.606 30.310 -26.996 1.00 0.00 O ATOM 0 H GLY A 30 -2.223 30.121 -24.574 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.356 31.445 -26.031 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.926 30.393 -27.365 1.00 0.00 H new ATOM 402 N GLN A 31 -4.879 28.738 -25.558 1.00 0.00 N ATOM 403 CA GLN A 31 -6.174 28.075 -25.458 1.00 0.00 C ATOM 404 C GLN A 31 -6.704 28.127 -24.029 1.00 0.00 C ATOM 405 O GLN A 31 -5.933 28.212 -23.072 1.00 0.00 O ATOM 406 CB GLN A 31 -6.063 26.622 -25.921 1.00 0.00 C ATOM 407 CG GLN A 31 -7.363 26.059 -26.474 1.00 0.00 C ATOM 408 CD GLN A 31 -7.427 24.546 -26.389 1.00 0.00 C ATOM 409 OE1 GLN A 31 -8.333 23.986 -25.771 1.00 0.00 O ATOM 410 NE2 GLN A 31 -6.463 23.876 -27.010 1.00 0.00 N ATOM 0 H GLN A 31 -4.142 28.311 -24.997 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.875 28.603 -26.105 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.291 26.551 -26.687 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.737 26.006 -25.083 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.202 26.486 -25.925 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.474 26.366 -27.514 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.732 24.381 -27.510 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.454 22.856 -26.987 1.00 0.00 H new ATOM 419 N THR A 32 -8.025 28.077 -23.890 1.00 0.00 N ATOM 420 CA THR A 32 -8.658 28.120 -22.578 1.00 0.00 C ATOM 421 C THR A 32 -8.713 26.732 -21.949 1.00 0.00 C ATOM 422 O THR A 32 -9.347 25.822 -22.483 1.00 0.00 O ATOM 423 CB THR A 32 -10.086 28.691 -22.662 1.00 0.00 C ATOM 424 OG1 THR A 32 -10.125 29.778 -23.593 1.00 0.00 O ATOM 425 CG2 THR A 32 -10.559 29.168 -21.297 1.00 0.00 C ATOM 0 H THR A 32 -8.678 28.007 -24.671 1.00 0.00 H new ATOM 0 HA THR A 32 -8.050 28.775 -21.954 1.00 0.00 H new ATOM 0 HB THR A 32 -10.751 27.898 -23.003 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.037 30.134 -23.642 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.570 29.567 -21.381 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.556 28.331 -20.598 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.890 29.948 -20.932 1.00 0.00 H new ATOM 433 N VAL A 33 -8.047 26.578 -20.809 1.00 0.00 N ATOM 434 CA VAL A 33 -8.022 25.301 -20.105 1.00 0.00 C ATOM 435 C VAL A 33 -8.732 25.401 -18.759 1.00 0.00 C ATOM 436 O VAL A 33 -8.595 26.395 -18.046 1.00 0.00 O ATOM 437 CB VAL A 33 -6.579 24.813 -19.877 1.00 0.00 C ATOM 438 CG1 VAL A 33 -5.829 24.729 -21.198 1.00 0.00 C ATOM 439 CG2 VAL A 33 -5.856 25.729 -18.902 1.00 0.00 C ATOM 0 H VAL A 33 -7.518 27.321 -20.353 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.545 24.582 -20.736 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.616 23.814 -19.443 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.811 24.383 -21.017 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.338 24.030 -21.862 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.800 25.714 -21.663 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.838 25.370 -18.752 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.828 26.741 -19.306 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.383 25.734 -17.948 1.00 0.00 H new ATOM 449 N SER A 34 -9.490 24.365 -18.418 1.00 0.00 N ATOM 450 CA SER A 34 -10.224 24.337 -17.158 1.00 0.00 C ATOM 451 C SER A 34 -9.478 23.515 -16.112 1.00 0.00 C ATOM 452 O SER A 34 -9.227 22.325 -16.303 1.00 0.00 O ATOM 453 CB SER A 34 -11.625 23.760 -17.372 1.00 0.00 C ATOM 454 OG SER A 34 -11.736 23.151 -18.647 1.00 0.00 O ATOM 0 H SER A 34 -9.612 23.534 -18.996 1.00 0.00 H new ATOM 0 HA SER A 34 -10.312 25.361 -16.795 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.842 23.027 -16.595 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.367 24.553 -17.278 1.00 0.00 H new ATOM 0 HG SER A 34 -12.640 22.789 -18.759 1.00 0.00 H new ATOM 460 N VAL A 35 -9.124 24.159 -15.004 1.00 0.00 N ATOM 461 CA VAL A 35 -8.407 23.489 -13.926 1.00 0.00 C ATOM 462 C VAL A 35 -8.858 24.003 -12.563 1.00 0.00 C ATOM 463 O VAL A 35 -9.370 25.117 -12.446 1.00 0.00 O ATOM 464 CB VAL A 35 -6.885 23.684 -14.058 1.00 0.00 C ATOM 465 CG1 VAL A 35 -6.438 23.443 -15.492 1.00 0.00 C ATOM 466 CG2 VAL A 35 -6.485 25.076 -13.593 1.00 0.00 C ATOM 0 H VAL A 35 -9.322 25.144 -14.830 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.638 22.427 -14.005 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.386 22.955 -13.420 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.360 23.585 -15.566 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.690 22.424 -15.785 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.943 24.147 -16.154 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.406 25.197 -13.693 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.992 25.823 -14.203 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.770 25.207 -12.549 1.00 0.00 H new ATOM 476 N HIS A 36 -8.664 23.185 -11.534 1.00 0.00 N ATOM 477 CA HIS A 36 -9.050 23.557 -10.178 1.00 0.00 C ATOM 478 C HIS A 36 -7.845 24.059 -9.388 1.00 0.00 C ATOM 479 O HIS A 36 -6.787 23.428 -9.383 1.00 0.00 O ATOM 480 CB HIS A 36 -9.684 22.365 -9.460 1.00 0.00 C ATOM 481 CG HIS A 36 -11.180 22.346 -9.538 1.00 0.00 C ATOM 482 ND1 HIS A 36 -11.953 23.485 -9.460 1.00 0.00 N ATOM 483 CD2 HIS A 36 -12.045 21.316 -9.689 1.00 0.00 C ATOM 484 CE1 HIS A 36 -13.228 23.156 -9.559 1.00 0.00 C ATOM 485 NE2 HIS A 36 -13.312 21.846 -9.699 1.00 0.00 N ATOM 0 H HIS A 36 -8.242 22.260 -11.613 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.781 24.363 -10.243 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.294 21.443 -9.890 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.383 22.380 -8.412 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.787 20.272 -9.784 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -14.061 23.843 -9.530 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -14.177 21.314 -9.798 1.00 0.00 H new ATOM 493 N TYR A 37 -8.011 25.197 -8.724 1.00 0.00 N ATOM 494 CA TYR A 37 -6.936 25.785 -7.934 1.00 0.00 C ATOM 495 C TYR A 37 -7.323 25.864 -6.460 1.00 0.00 C ATOM 496 O TYR A 37 -8.472 26.150 -6.122 1.00 0.00 O ATOM 497 CB TYR A 37 -6.594 27.180 -8.458 1.00 0.00 C ATOM 498 CG TYR A 37 -7.709 28.185 -8.278 1.00 0.00 C ATOM 499 CD1 TYR A 37 -7.909 28.820 -7.058 1.00 0.00 C ATOM 500 CD2 TYR A 37 -8.562 28.501 -9.328 1.00 0.00 C ATOM 501 CE1 TYR A 37 -8.927 29.738 -6.889 1.00 0.00 C ATOM 502 CE2 TYR A 37 -9.582 29.419 -9.169 1.00 0.00 C ATOM 503 CZ TYR A 37 -9.761 30.035 -7.947 1.00 0.00 C ATOM 504 OH TYR A 37 -10.775 30.950 -7.783 1.00 0.00 O ATOM 0 H TYR A 37 -8.880 25.731 -8.717 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.059 25.144 -8.027 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.703 27.543 -7.946 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.347 27.110 -9.517 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -7.257 28.592 -6.228 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.425 28.020 -10.286 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -9.069 30.221 -5.933 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.236 29.653 -9.996 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.269 31.045 -8.624 1.00 0.00 H new ATOM 514 N THR A 38 -6.355 25.609 -5.586 1.00 0.00 N ATOM 515 CA THR A 38 -6.592 25.651 -4.149 1.00 0.00 C ATOM 516 C THR A 38 -5.481 26.407 -3.429 1.00 0.00 C ATOM 517 O THR A 38 -4.320 26.001 -3.460 1.00 0.00 O ATOM 518 CB THR A 38 -6.700 24.233 -3.556 1.00 0.00 C ATOM 519 OG1 THR A 38 -6.543 23.256 -4.591 1.00 0.00 O ATOM 520 CG2 THR A 38 -8.041 24.036 -2.864 1.00 0.00 C ATOM 0 H THR A 38 -5.399 25.371 -5.849 1.00 0.00 H new ATOM 0 HA THR A 38 -7.537 26.173 -4.000 1.00 0.00 H new ATOM 0 HB THR A 38 -5.907 24.110 -2.818 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.465 22.365 -4.191 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.094 23.028 -2.453 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.144 24.762 -2.058 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.847 24.177 -3.585 1.00 0.00 H new ATOM 528 N GLY A 39 -5.845 27.509 -2.781 1.00 0.00 N ATOM 529 CA GLY A 39 -4.866 28.304 -2.062 1.00 0.00 C ATOM 530 C GLY A 39 -4.682 27.841 -0.630 1.00 0.00 C ATOM 531 O GLY A 39 -5.644 27.773 0.135 1.00 0.00 O ATOM 0 H GLY A 39 -6.800 27.866 -2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.909 28.255 -2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.177 29.349 -2.066 1.00 0.00 H new ATOM 535 N TRP A 40 -3.445 27.522 -0.268 1.00 0.00 N ATOM 536 CA TRP A 40 -3.139 27.061 1.081 1.00 0.00 C ATOM 537 C TRP A 40 -1.975 27.847 1.674 1.00 0.00 C ATOM 538 O TRP A 40 -0.981 28.109 0.995 1.00 0.00 O ATOM 539 CB TRP A 40 -2.809 25.568 1.070 1.00 0.00 C ATOM 540 CG TRP A 40 -4.010 24.696 0.861 1.00 0.00 C ATOM 541 CD1 TRP A 40 -5.237 24.836 1.445 1.00 0.00 C ATOM 542 CD2 TRP A 40 -4.098 23.548 0.010 1.00 0.00 C ATOM 543 NE1 TRP A 40 -6.082 23.844 1.008 1.00 0.00 N ATOM 544 CE2 TRP A 40 -5.407 23.042 0.126 1.00 0.00 C ATOM 545 CE3 TRP A 40 -3.199 22.899 -0.841 1.00 0.00 C ATOM 546 CZ2 TRP A 40 -5.836 21.918 -0.575 1.00 0.00 C ATOM 547 CZ3 TRP A 40 -3.626 21.784 -1.537 1.00 0.00 C ATOM 548 CH2 TRP A 40 -4.935 21.303 -1.401 1.00 0.00 C ATOM 0 H TRP A 40 -2.638 27.574 -0.889 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.019 27.226 1.703 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.083 25.369 0.282 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.335 25.301 2.014 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.504 25.612 2.147 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -7.054 23.724 1.294 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.188 23.263 -0.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -6.844 21.545 -0.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.939 21.275 -2.197 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.239 20.430 -1.959 1.00 0.00 H new ATOM 559 N LEU A 41 -2.103 28.221 2.942 1.00 0.00 N ATOM 560 CA LEU A 41 -1.061 28.978 3.626 1.00 0.00 C ATOM 561 C LEU A 41 0.101 28.070 4.020 1.00 0.00 C ATOM 562 O LEU A 41 0.041 26.853 3.841 1.00 0.00 O ATOM 563 CB LEU A 41 -1.632 29.663 4.869 1.00 0.00 C ATOM 564 CG LEU A 41 -1.962 31.149 4.724 1.00 0.00 C ATOM 565 CD1 LEU A 41 -2.685 31.658 5.961 1.00 0.00 C ATOM 566 CD2 LEU A 41 -0.695 31.955 4.475 1.00 0.00 C ATOM 0 H LEU A 41 -2.919 28.012 3.518 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.688 29.738 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.540 29.137 5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.917 29.548 5.684 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.622 31.273 3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.912 32.717 5.840 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.613 31.101 6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.050 31.521 6.836 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.949 33.010 4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.010 31.825 5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.217 31.608 3.559 1.00 0.00 H new ATOM 578 N THR A 42 1.157 28.671 4.561 1.00 0.00 N ATOM 579 CA THR A 42 2.331 27.918 4.982 1.00 0.00 C ATOM 580 C THR A 42 1.967 26.870 6.027 1.00 0.00 C ATOM 581 O THR A 42 2.549 25.785 6.062 1.00 0.00 O ATOM 582 CB THR A 42 3.417 28.846 5.559 1.00 0.00 C ATOM 583 OG1 THR A 42 2.950 29.453 6.768 1.00 0.00 O ATOM 584 CG2 THR A 42 3.794 29.926 4.556 1.00 0.00 C ATOM 0 H THR A 42 1.222 29.677 4.717 1.00 0.00 H new ATOM 0 HA THR A 42 2.722 27.421 4.094 1.00 0.00 H new ATOM 0 HB THR A 42 4.301 28.246 5.772 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.646 30.040 7.130 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.562 30.569 4.985 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.176 29.461 3.647 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.914 30.523 4.316 1.00 0.00 H new ATOM 592 N ASP A 43 1.001 27.199 6.877 1.00 0.00 N ATOM 593 CA ASP A 43 0.557 26.285 7.923 1.00 0.00 C ATOM 594 C ASP A 43 -0.517 25.338 7.397 1.00 0.00 C ATOM 595 O ASP A 43 -0.804 24.309 8.007 1.00 0.00 O ATOM 596 CB ASP A 43 0.022 27.069 9.122 1.00 0.00 C ATOM 597 CG ASP A 43 1.131 27.662 9.968 1.00 0.00 C ATOM 598 OD1 ASP A 43 2.040 26.906 10.370 1.00 0.00 O ATOM 599 OD2 ASP A 43 1.090 28.882 10.228 1.00 0.00 O ATOM 0 H ASP A 43 0.510 28.093 6.862 1.00 0.00 H new ATOM 0 HA ASP A 43 1.414 25.692 8.241 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.628 27.869 8.768 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.589 26.411 9.739 1.00 0.00 H new ATOM 604 N GLY A 44 -1.109 25.694 6.261 1.00 0.00 N ATOM 605 CA GLY A 44 -2.146 24.867 5.673 1.00 0.00 C ATOM 606 C GLY A 44 -3.480 25.581 5.591 1.00 0.00 C ATOM 607 O GLY A 44 -4.403 25.108 4.928 1.00 0.00 O ATOM 0 H GLY A 44 -0.889 26.541 5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.839 24.561 4.673 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.260 23.958 6.263 1.00 0.00 H new ATOM 611 N GLN A 45 -3.583 26.720 6.267 1.00 0.00 N ATOM 612 CA GLN A 45 -4.816 27.499 6.269 1.00 0.00 C ATOM 613 C GLN A 45 -5.242 27.846 4.846 1.00 0.00 C ATOM 614 O GLN A 45 -4.550 28.582 4.142 1.00 0.00 O ATOM 615 CB GLN A 45 -4.635 28.778 7.087 1.00 0.00 C ATOM 616 CG GLN A 45 -5.920 29.279 7.726 1.00 0.00 C ATOM 617 CD GLN A 45 -6.247 28.560 9.020 1.00 0.00 C ATOM 618 OE1 GLN A 45 -7.310 27.953 9.155 1.00 0.00 O ATOM 619 NE2 GLN A 45 -5.332 28.624 9.980 1.00 0.00 N ATOM 0 H GLN A 45 -2.828 27.124 6.821 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.599 26.893 6.726 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.897 28.598 7.868 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.232 29.558 6.441 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.832 30.348 7.921 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.744 29.150 7.025 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.465 29.138 9.825 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.496 28.159 10.873 1.00 0.00 H new ATOM 628 N LYS A 46 -6.385 27.312 4.429 1.00 0.00 N ATOM 629 CA LYS A 46 -6.905 27.567 3.091 1.00 0.00 C ATOM 630 C LYS A 46 -7.497 28.969 2.994 1.00 0.00 C ATOM 631 O LYS A 46 -8.189 29.425 3.905 1.00 0.00 O ATOM 632 CB LYS A 46 -7.967 26.527 2.728 1.00 0.00 C ATOM 633 CG LYS A 46 -8.629 26.776 1.384 1.00 0.00 C ATOM 634 CD LYS A 46 -9.835 25.875 1.181 1.00 0.00 C ATOM 635 CE LYS A 46 -9.417 24.453 0.837 1.00 0.00 C ATOM 636 NZ LYS A 46 -10.583 23.609 0.454 1.00 0.00 N ATOM 0 H LYS A 46 -6.969 26.700 4.999 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.076 27.493 2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.507 25.539 2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.732 26.516 3.504 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.938 27.819 1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.908 26.605 0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.442 25.868 2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.459 26.275 0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.699 24.474 0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.911 24.006 1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.356 22.608 0.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.409 23.877 1.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.799 23.752 -0.553 1.00 0.00 H new ATOM 650 N PHE A 47 -7.222 29.648 1.885 1.00 0.00 N ATOM 651 CA PHE A 47 -7.729 30.998 1.670 1.00 0.00 C ATOM 652 C PHE A 47 -8.287 31.151 0.258 1.00 0.00 C ATOM 653 O PHE A 47 -8.464 32.265 -0.234 1.00 0.00 O ATOM 654 CB PHE A 47 -6.619 32.025 1.906 1.00 0.00 C ATOM 655 CG PHE A 47 -5.392 31.784 1.074 1.00 0.00 C ATOM 656 CD1 PHE A 47 -5.368 32.132 -0.267 1.00 0.00 C ATOM 657 CD2 PHE A 47 -4.263 31.207 1.633 1.00 0.00 C ATOM 658 CE1 PHE A 47 -4.240 31.911 -1.035 1.00 0.00 C ATOM 659 CE2 PHE A 47 -3.132 30.985 0.870 1.00 0.00 C ATOM 660 CZ PHE A 47 -3.121 31.336 -0.466 1.00 0.00 C ATOM 0 H PHE A 47 -6.651 29.285 1.122 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.536 31.174 2.381 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.005 33.021 1.690 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.342 32.013 2.960 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.241 32.581 -0.717 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.267 30.928 2.676 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.234 32.188 -2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.257 30.537 1.318 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.239 31.161 -1.064 1.00 0.00 H new ATOM 670 N ASP A 48 -8.563 30.023 -0.387 1.00 0.00 N ATOM 671 CA ASP A 48 -9.102 30.030 -1.742 1.00 0.00 C ATOM 672 C ASP A 48 -9.395 28.611 -2.218 1.00 0.00 C ATOM 673 O ASP A 48 -8.517 27.748 -2.209 1.00 0.00 O ATOM 674 CB ASP A 48 -8.122 30.710 -2.700 1.00 0.00 C ATOM 675 CG ASP A 48 -8.828 31.485 -3.796 1.00 0.00 C ATOM 676 OD1 ASP A 48 -10.071 31.400 -3.876 1.00 0.00 O ATOM 677 OD2 ASP A 48 -8.136 32.176 -4.573 1.00 0.00 O ATOM 0 H ASP A 48 -8.422 29.092 0.006 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.037 30.591 -1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.478 31.386 -2.137 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.476 29.956 -3.150 1.00 0.00 H new ATOM 682 N SER A 49 -10.636 28.375 -2.632 1.00 0.00 N ATOM 683 CA SER A 49 -11.047 27.059 -3.106 1.00 0.00 C ATOM 684 C SER A 49 -11.920 27.179 -4.352 1.00 0.00 C ATOM 685 O SER A 49 -13.091 27.548 -4.269 1.00 0.00 O ATOM 686 CB SER A 49 -11.805 26.311 -2.008 1.00 0.00 C ATOM 687 OG SER A 49 -12.803 25.470 -2.560 1.00 0.00 O ATOM 0 H SER A 49 -11.374 29.079 -2.649 1.00 0.00 H new ATOM 0 HA SER A 49 -10.150 26.497 -3.365 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.106 25.715 -1.421 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.264 27.027 -1.326 1.00 0.00 H new ATOM 0 HG SER A 49 -13.272 25.002 -1.838 1.00 0.00 H new ATOM 693 N SER A 50 -11.340 26.864 -5.506 1.00 0.00 N ATOM 694 CA SER A 50 -12.063 26.939 -6.770 1.00 0.00 C ATOM 695 C SER A 50 -13.340 26.105 -6.716 1.00 0.00 C ATOM 696 O SER A 50 -14.307 26.383 -7.425 1.00 0.00 O ATOM 697 CB SER A 50 -11.174 26.459 -7.919 1.00 0.00 C ATOM 698 OG SER A 50 -10.645 25.172 -7.651 1.00 0.00 O ATOM 0 H SER A 50 -10.372 26.555 -5.592 1.00 0.00 H new ATOM 0 HA SER A 50 -12.337 27.980 -6.943 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.751 26.433 -8.843 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.359 27.166 -8.072 1.00 0.00 H new ATOM 0 HG SER A 50 -10.922 24.551 -8.357 1.00 0.00 H new ATOM 704 N LYS A 51 -13.335 25.081 -5.870 1.00 0.00 N ATOM 705 CA LYS A 51 -14.491 24.206 -5.721 1.00 0.00 C ATOM 706 C LYS A 51 -15.719 24.996 -5.280 1.00 0.00 C ATOM 707 O LYS A 51 -16.853 24.554 -5.464 1.00 0.00 O ATOM 708 CB LYS A 51 -14.192 23.100 -4.706 1.00 0.00 C ATOM 709 CG LYS A 51 -13.041 22.197 -5.112 1.00 0.00 C ATOM 710 CD LYS A 51 -13.423 21.294 -6.273 1.00 0.00 C ATOM 711 CE LYS A 51 -14.124 20.033 -5.791 1.00 0.00 C ATOM 712 NZ LYS A 51 -13.160 19.028 -5.265 1.00 0.00 N ATOM 0 H LYS A 51 -12.542 24.837 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.700 23.755 -6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.963 23.555 -3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -15.087 22.494 -4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.181 22.806 -5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.738 21.588 -4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.076 21.836 -6.957 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.529 21.023 -6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.840 20.292 -5.011 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.691 19.596 -6.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.678 18.184 -4.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.492 18.762 -6.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.636 19.435 -4.464 1.00 0.00 H new ATOM 726 N ASP A 52 -15.485 26.168 -4.700 1.00 0.00 N ATOM 727 CA ASP A 52 -16.572 27.022 -4.235 1.00 0.00 C ATOM 728 C ASP A 52 -17.556 27.312 -5.365 1.00 0.00 C ATOM 729 O ASP A 52 -18.771 27.252 -5.173 1.00 0.00 O ATOM 730 CB ASP A 52 -16.017 28.333 -3.678 1.00 0.00 C ATOM 731 CG ASP A 52 -17.097 29.211 -3.077 1.00 0.00 C ATOM 732 OD1 ASP A 52 -17.371 29.070 -1.867 1.00 0.00 O ATOM 733 OD2 ASP A 52 -17.670 30.038 -3.818 1.00 0.00 O ATOM 0 H ASP A 52 -14.552 26.549 -4.541 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.101 26.494 -3.442 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.267 28.113 -2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.512 28.878 -4.475 1.00 0.00 H new ATOM 738 N ARG A 53 -17.023 27.626 -6.541 1.00 0.00 N ATOM 739 CA ARG A 53 -17.854 27.927 -7.700 1.00 0.00 C ATOM 740 C ARG A 53 -18.522 26.663 -8.234 1.00 0.00 C ATOM 741 O ARG A 53 -19.397 26.728 -9.095 1.00 0.00 O ATOM 742 CB ARG A 53 -17.015 28.577 -8.801 1.00 0.00 C ATOM 743 CG ARG A 53 -16.362 29.883 -8.379 1.00 0.00 C ATOM 744 CD ARG A 53 -17.385 31.001 -8.251 1.00 0.00 C ATOM 745 NE ARG A 53 -16.829 32.179 -7.590 1.00 0.00 N ATOM 746 CZ ARG A 53 -15.959 33.002 -8.163 1.00 0.00 C ATOM 747 NH1 ARG A 53 -15.547 32.777 -9.404 1.00 0.00 N ATOM 748 NH2 ARG A 53 -15.498 34.052 -7.496 1.00 0.00 N ATOM 0 H ARG A 53 -16.020 27.679 -6.716 1.00 0.00 H new ATOM 0 HA ARG A 53 -18.632 28.623 -7.386 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -16.240 27.878 -9.116 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -17.649 28.761 -9.668 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.851 29.745 -7.426 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -15.603 30.164 -9.109 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -17.745 31.278 -9.242 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -18.246 30.642 -7.687 1.00 0.00 H new ATOM 0 HE ARG A 53 -17.126 32.380 -6.635 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.899 31.970 -9.920 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.879 33.411 -9.842 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.812 34.228 -6.542 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.830 34.683 -7.938 1.00 0.00 H new ATOM 762 N ASN A 54 -18.101 25.514 -7.715 1.00 0.00 N ATOM 763 CA ASN A 54 -18.657 24.235 -8.140 1.00 0.00 C ATOM 764 C ASN A 54 -18.351 23.970 -9.611 1.00 0.00 C ATOM 765 O ASN A 54 -19.050 23.203 -10.273 1.00 0.00 O ATOM 766 CB ASN A 54 -20.170 24.210 -7.910 1.00 0.00 C ATOM 767 CG ASN A 54 -20.745 22.810 -7.994 1.00 0.00 C ATOM 768 OD1 ASN A 54 -21.432 22.466 -8.956 1.00 0.00 O ATOM 769 ND2 ASN A 54 -20.466 21.994 -6.984 1.00 0.00 N ATOM 0 H ASN A 54 -17.377 25.443 -7.000 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.193 23.450 -7.543 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -20.393 24.633 -6.930 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -20.658 24.845 -8.650 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -20.825 21.039 -6.985 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -19.892 22.322 -6.207 1.00 0.00 H new ATOM 776 N ASP A 55 -17.303 24.611 -10.116 1.00 0.00 N ATOM 777 CA ASP A 55 -16.903 24.444 -11.509 1.00 0.00 C ATOM 778 C ASP A 55 -15.417 24.740 -11.686 1.00 0.00 C ATOM 779 O ASP A 55 -14.811 25.486 -10.917 1.00 0.00 O ATOM 780 CB ASP A 55 -17.729 25.361 -12.412 1.00 0.00 C ATOM 781 CG ASP A 55 -19.053 24.740 -12.811 1.00 0.00 C ATOM 782 OD1 ASP A 55 -19.046 23.596 -13.312 1.00 0.00 O ATOM 783 OD2 ASP A 55 -20.098 25.397 -12.620 1.00 0.00 O ATOM 0 H ASP A 55 -16.715 25.251 -9.582 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.085 23.407 -11.792 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.914 26.303 -11.897 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.156 25.595 -13.309 1.00 0.00 H new ATOM 788 N PRO A 56 -14.813 24.140 -12.723 1.00 0.00 N ATOM 789 CA PRO A 56 -13.391 24.324 -13.026 1.00 0.00 C ATOM 790 C PRO A 56 -13.082 25.729 -13.532 1.00 0.00 C ATOM 791 O PRO A 56 -13.912 26.359 -14.188 1.00 0.00 O ATOM 792 CB PRO A 56 -13.125 23.290 -14.123 1.00 0.00 C ATOM 793 CG PRO A 56 -14.450 23.076 -14.770 1.00 0.00 C ATOM 794 CD PRO A 56 -15.474 23.238 -13.681 1.00 0.00 C ATOM 0 HA PRO A 56 -12.767 24.198 -12.141 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.388 23.653 -14.840 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.733 22.362 -13.706 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -14.614 23.797 -15.571 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.510 22.084 -15.218 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.401 23.666 -14.062 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.728 22.282 -13.223 1.00 0.00 H new ATOM 802 N PHE A 57 -11.884 26.214 -13.224 1.00 0.00 N ATOM 803 CA PHE A 57 -11.466 27.545 -13.648 1.00 0.00 C ATOM 804 C PHE A 57 -10.937 27.519 -15.079 1.00 0.00 C ATOM 805 O PHE A 57 -9.829 27.047 -15.334 1.00 0.00 O ATOM 806 CB PHE A 57 -10.392 28.090 -12.705 1.00 0.00 C ATOM 807 CG PHE A 57 -9.850 29.427 -13.123 1.00 0.00 C ATOM 808 CD1 PHE A 57 -10.701 30.501 -13.329 1.00 0.00 C ATOM 809 CD2 PHE A 57 -8.489 29.610 -13.308 1.00 0.00 C ATOM 810 CE1 PHE A 57 -10.204 31.732 -13.715 1.00 0.00 C ATOM 811 CE2 PHE A 57 -7.987 30.839 -13.692 1.00 0.00 C ATOM 812 CZ PHE A 57 -8.846 31.902 -13.895 1.00 0.00 C ATOM 0 H PHE A 57 -11.185 25.705 -12.682 1.00 0.00 H new ATOM 0 HA PHE A 57 -12.336 28.200 -13.613 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -10.809 28.174 -11.702 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.571 27.375 -12.650 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.764 30.375 -13.186 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.813 28.783 -13.150 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.878 32.560 -13.876 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.924 30.968 -13.833 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.456 32.864 -14.194 1.00 0.00 H new ATOM 822 N ALA A 58 -11.737 28.030 -16.009 1.00 0.00 N ATOM 823 CA ALA A 58 -11.350 28.067 -17.414 1.00 0.00 C ATOM 824 C ALA A 58 -10.642 29.374 -17.754 1.00 0.00 C ATOM 825 O ALA A 58 -11.255 30.442 -17.753 1.00 0.00 O ATOM 826 CB ALA A 58 -12.570 27.878 -18.303 1.00 0.00 C ATOM 0 H ALA A 58 -12.657 28.424 -15.815 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.653 27.249 -17.595 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.266 27.908 -19.349 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.032 26.915 -18.087 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.287 28.676 -18.111 1.00 0.00 H new ATOM 832 N PHE A 59 -9.348 29.283 -18.044 1.00 0.00 N ATOM 833 CA PHE A 59 -8.557 30.460 -18.384 1.00 0.00 C ATOM 834 C PHE A 59 -7.592 30.154 -19.526 1.00 0.00 C ATOM 835 O PHE A 59 -7.161 29.014 -19.702 1.00 0.00 O ATOM 836 CB PHE A 59 -7.778 30.948 -17.161 1.00 0.00 C ATOM 837 CG PHE A 59 -6.612 30.073 -16.804 1.00 0.00 C ATOM 838 CD1 PHE A 59 -6.814 28.803 -16.288 1.00 0.00 C ATOM 839 CD2 PHE A 59 -5.312 30.520 -16.983 1.00 0.00 C ATOM 840 CE1 PHE A 59 -5.743 27.994 -15.958 1.00 0.00 C ATOM 841 CE2 PHE A 59 -4.237 29.716 -16.656 1.00 0.00 C ATOM 842 CZ PHE A 59 -4.452 28.452 -16.141 1.00 0.00 C ATOM 0 H PHE A 59 -8.825 28.407 -18.050 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.240 31.245 -18.708 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.418 31.960 -17.349 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.454 31.004 -16.308 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.821 28.441 -16.142 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.138 31.508 -17.383 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.915 27.006 -15.558 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.229 30.075 -16.803 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.613 27.823 -15.882 1.00 0.00 H new ATOM 852 N VAL A 60 -7.256 31.181 -20.300 1.00 0.00 N ATOM 853 CA VAL A 60 -6.342 31.024 -21.425 1.00 0.00 C ATOM 854 C VAL A 60 -4.893 30.969 -20.953 1.00 0.00 C ATOM 855 O VAL A 60 -4.400 31.902 -20.317 1.00 0.00 O ATOM 856 CB VAL A 60 -6.496 32.174 -22.439 1.00 0.00 C ATOM 857 CG1 VAL A 60 -5.519 32.003 -23.592 1.00 0.00 C ATOM 858 CG2 VAL A 60 -7.928 32.245 -22.948 1.00 0.00 C ATOM 0 H VAL A 60 -7.603 32.131 -20.168 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.599 30.083 -21.912 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.266 33.113 -21.936 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.642 32.824 -24.298 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.499 32.005 -23.208 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.715 31.057 -24.098 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.020 33.062 -23.663 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.188 31.305 -23.436 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.604 32.418 -22.110 1.00 0.00 H new ATOM 868 N LEU A 61 -4.215 29.871 -21.268 1.00 0.00 N ATOM 869 CA LEU A 61 -2.821 29.694 -20.876 1.00 0.00 C ATOM 870 C LEU A 61 -1.908 30.613 -21.682 1.00 0.00 C ATOM 871 O LEU A 61 -1.956 30.629 -22.911 1.00 0.00 O ATOM 872 CB LEU A 61 -2.398 28.237 -21.070 1.00 0.00 C ATOM 873 CG LEU A 61 -0.892 27.978 -21.132 1.00 0.00 C ATOM 874 CD1 LEU A 61 -0.187 28.648 -19.963 1.00 0.00 C ATOM 875 CD2 LEU A 61 -0.608 26.483 -21.144 1.00 0.00 C ATOM 0 H LEU A 61 -4.608 29.090 -21.794 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.729 29.955 -19.822 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.815 27.647 -20.254 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.848 27.869 -21.992 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.506 28.408 -22.056 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.884 28.453 -20.024 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.363 29.723 -20.000 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.576 28.249 -19.026 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.468 26.317 -21.188 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.008 26.029 -20.237 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.081 26.030 -22.015 1.00 0.00 H new ATOM 887 N GLY A 62 -1.075 31.375 -20.980 1.00 0.00 N ATOM 888 CA GLY A 62 -0.161 32.284 -21.647 1.00 0.00 C ATOM 889 C GLY A 62 0.359 33.365 -20.721 1.00 0.00 C ATOM 890 O GLY A 62 1.568 33.545 -20.583 1.00 0.00 O ATOM 0 H GLY A 62 -1.017 31.379 -19.962 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.680 31.719 -22.049 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.668 32.748 -22.494 1.00 0.00 H new ATOM 894 N GLY A 63 -0.557 34.090 -20.086 1.00 0.00 N ATOM 895 CA GLY A 63 -0.165 35.152 -19.178 1.00 0.00 C ATOM 896 C GLY A 63 -1.048 36.378 -19.303 1.00 0.00 C ATOM 897 O GLY A 63 -1.643 36.617 -20.353 1.00 0.00 O ATOM 0 H GLY A 63 -1.564 33.961 -20.184 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.205 34.783 -18.153 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.870 35.432 -19.376 1.00 0.00 H new ATOM 901 N GLY A 64 -1.134 37.156 -18.229 1.00 0.00 N ATOM 902 CA GLY A 64 -1.954 38.353 -18.244 1.00 0.00 C ATOM 903 C GLY A 64 -2.818 38.479 -17.005 1.00 0.00 C ATOM 904 O GLY A 64 -2.779 39.497 -16.314 1.00 0.00 O ATOM 0 H GLY A 64 -0.650 36.979 -17.349 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.311 39.229 -18.325 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.591 38.342 -19.128 1.00 0.00 H new ATOM 908 N MET A 65 -3.602 37.444 -16.725 1.00 0.00 N ATOM 909 CA MET A 65 -4.481 37.444 -15.561 1.00 0.00 C ATOM 910 C MET A 65 -3.952 36.505 -14.481 1.00 0.00 C ATOM 911 O MET A 65 -4.296 36.639 -13.306 1.00 0.00 O ATOM 912 CB MET A 65 -5.897 37.030 -15.964 1.00 0.00 C ATOM 913 CG MET A 65 -6.798 38.204 -16.312 1.00 0.00 C ATOM 914 SD MET A 65 -8.362 37.687 -17.045 1.00 0.00 S ATOM 915 CE MET A 65 -7.949 37.728 -18.787 1.00 0.00 C ATOM 0 H MET A 65 -3.647 36.594 -17.288 1.00 0.00 H new ATOM 0 HA MET A 65 -4.508 38.456 -15.157 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.840 36.359 -16.821 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.348 36.466 -15.148 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.998 38.783 -15.410 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.277 38.864 -17.006 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.818 37.432 -19.374 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.650 38.738 -19.066 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.127 37.039 -18.982 1.00 0.00 H new ATOM 925 N VAL A 66 -3.115 35.556 -14.886 1.00 0.00 N ATOM 926 CA VAL A 66 -2.538 34.596 -13.952 1.00 0.00 C ATOM 927 C VAL A 66 -1.154 35.039 -13.493 1.00 0.00 C ATOM 928 O VAL A 66 -0.655 36.084 -13.911 1.00 0.00 O ATOM 929 CB VAL A 66 -2.434 33.194 -14.582 1.00 0.00 C ATOM 930 CG1 VAL A 66 -3.776 32.765 -15.156 1.00 0.00 C ATOM 931 CG2 VAL A 66 -1.354 33.170 -15.653 1.00 0.00 C ATOM 0 H VAL A 66 -2.821 35.431 -15.855 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.205 34.551 -13.091 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.156 32.484 -13.803 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.683 31.772 -15.597 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.521 32.740 -14.361 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.087 33.474 -15.923 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.294 32.172 -16.087 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.599 33.891 -16.433 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.394 33.430 -15.207 1.00 0.00 H new ATOM 941 N ILE A 67 -0.537 34.237 -12.631 1.00 0.00 N ATOM 942 CA ILE A 67 0.791 34.546 -12.117 1.00 0.00 C ATOM 943 C ILE A 67 1.852 33.671 -12.775 1.00 0.00 C ATOM 944 O ILE A 67 1.538 32.663 -13.408 1.00 0.00 O ATOM 945 CB ILE A 67 0.861 34.357 -10.590 1.00 0.00 C ATOM 946 CG1 ILE A 67 0.918 32.868 -10.240 1.00 0.00 C ATOM 947 CG2 ILE A 67 -0.334 35.019 -9.919 1.00 0.00 C ATOM 948 CD1 ILE A 67 0.890 32.596 -8.753 1.00 0.00 C ATOM 0 H ILE A 67 -0.936 33.369 -12.274 1.00 0.00 H new ATOM 0 HA ILE A 67 0.987 35.592 -12.355 1.00 0.00 H new ATOM 0 HB ILE A 67 1.770 34.833 -10.221 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.076 32.360 -10.710 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.826 32.438 -10.663 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.270 34.877 -8.840 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.334 36.085 -10.145 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.255 34.570 -10.290 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.933 31.521 -8.579 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.747 33.075 -8.279 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.030 32.996 -8.327 1.00 0.00 H new ATOM 960 N LYS A 68 3.113 34.062 -12.620 1.00 0.00 N ATOM 961 CA LYS A 68 4.223 33.313 -13.196 1.00 0.00 C ATOM 962 C LYS A 68 4.093 31.825 -12.889 1.00 0.00 C ATOM 963 O LYS A 68 4.089 30.992 -13.794 1.00 0.00 O ATOM 964 CB LYS A 68 5.555 33.841 -12.659 1.00 0.00 C ATOM 965 CG LYS A 68 6.021 35.118 -13.336 1.00 0.00 C ATOM 966 CD LYS A 68 7.528 35.283 -13.238 1.00 0.00 C ATOM 967 CE LYS A 68 8.063 36.187 -14.339 1.00 0.00 C ATOM 968 NZ LYS A 68 8.296 35.440 -15.606 1.00 0.00 N ATOM 0 H LYS A 68 3.391 34.894 -12.100 1.00 0.00 H new ATOM 0 HA LYS A 68 4.196 33.446 -14.277 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.459 34.022 -11.588 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.318 33.073 -12.786 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.723 35.105 -14.384 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.530 35.975 -12.876 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.787 35.701 -12.265 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.007 34.306 -13.303 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.356 36.997 -14.520 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.996 36.646 -14.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.660 36.091 -16.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.990 34.683 -15.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.401 35.023 -15.933 1.00 0.00 H new ATOM 982 N GLY A 69 3.986 31.497 -11.604 1.00 0.00 N ATOM 983 CA GLY A 69 3.856 30.109 -11.201 1.00 0.00 C ATOM 984 C GLY A 69 2.704 29.410 -11.894 1.00 0.00 C ATOM 985 O GLY A 69 2.742 28.198 -12.106 1.00 0.00 O ATOM 0 H GLY A 69 3.987 32.168 -10.836 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.784 29.581 -11.423 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.711 30.059 -10.122 1.00 0.00 H new ATOM 989 N TRP A 70 1.676 30.173 -12.247 1.00 0.00 N ATOM 990 CA TRP A 70 0.507 29.618 -12.919 1.00 0.00 C ATOM 991 C TRP A 70 0.848 29.193 -14.343 1.00 0.00 C ATOM 992 O TRP A 70 0.687 28.028 -14.708 1.00 0.00 O ATOM 993 CB TRP A 70 -0.630 30.641 -12.938 1.00 0.00 C ATOM 994 CG TRP A 70 -1.856 30.180 -12.210 1.00 0.00 C ATOM 995 CD1 TRP A 70 -3.063 29.856 -12.761 1.00 0.00 C ATOM 996 CD2 TRP A 70 -1.995 29.995 -10.797 1.00 0.00 C ATOM 997 NE1 TRP A 70 -3.944 29.480 -11.776 1.00 0.00 N ATOM 998 CE2 TRP A 70 -3.313 29.556 -10.562 1.00 0.00 C ATOM 999 CE3 TRP A 70 -1.134 30.155 -9.708 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -3.787 29.277 -9.283 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -1.607 29.878 -8.439 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -2.923 29.442 -8.235 1.00 0.00 C ATOM 0 H TRP A 70 1.628 31.178 -12.079 1.00 0.00 H new ATOM 0 HA TRP A 70 0.185 28.737 -12.364 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.279 31.571 -12.491 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -0.892 30.863 -13.972 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.291 29.890 -13.816 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.911 29.191 -11.924 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.118 30.489 -9.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -4.801 28.942 -9.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.951 30.000 -7.590 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -3.262 29.232 -7.231 1.00 0.00 H new ATOM 1013 N ASP A 71 1.320 30.143 -15.143 1.00 0.00 N ATOM 1014 CA ASP A 71 1.686 29.866 -16.527 1.00 0.00 C ATOM 1015 C ASP A 71 2.672 28.705 -16.606 1.00 0.00 C ATOM 1016 O ASP A 71 2.505 27.791 -17.413 1.00 0.00 O ATOM 1017 CB ASP A 71 2.291 31.112 -17.176 1.00 0.00 C ATOM 1018 CG ASP A 71 3.023 30.795 -18.465 1.00 0.00 C ATOM 1019 OD1 ASP A 71 2.455 30.065 -19.305 1.00 0.00 O ATOM 1020 OD2 ASP A 71 4.163 31.275 -18.634 1.00 0.00 O ATOM 0 H ASP A 71 1.458 31.112 -14.856 1.00 0.00 H new ATOM 0 HA ASP A 71 0.782 29.588 -17.068 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.499 31.833 -17.379 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.981 31.584 -16.476 1.00 0.00 H new ATOM 1025 N GLU A 72 3.700 28.750 -15.764 1.00 0.00 N ATOM 1026 CA GLU A 72 4.714 27.702 -15.742 1.00 0.00 C ATOM 1027 C GLU A 72 4.112 26.372 -15.298 1.00 0.00 C ATOM 1028 O GLU A 72 4.443 25.317 -15.837 1.00 0.00 O ATOM 1029 CB GLU A 72 5.861 28.092 -14.808 1.00 0.00 C ATOM 1030 CG GLU A 72 7.225 28.069 -15.477 1.00 0.00 C ATOM 1031 CD GLU A 72 7.565 26.712 -16.063 1.00 0.00 C ATOM 1032 OE1 GLU A 72 7.213 25.690 -15.438 1.00 0.00 O ATOM 1033 OE2 GLU A 72 8.182 26.673 -17.148 1.00 0.00 O ATOM 0 H GLU A 72 3.852 29.500 -15.089 1.00 0.00 H new ATOM 0 HA GLU A 72 5.102 27.586 -16.754 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.675 29.092 -14.416 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.872 27.412 -13.956 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.250 28.819 -16.268 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.987 28.348 -14.749 1.00 0.00 H new ATOM 1040 N GLY A 73 3.225 26.431 -14.309 1.00 0.00 N ATOM 1041 CA GLY A 73 2.591 25.226 -13.808 1.00 0.00 C ATOM 1042 C GLY A 73 1.777 24.514 -14.870 1.00 0.00 C ATOM 1043 O GLY A 73 2.061 23.366 -15.215 1.00 0.00 O ATOM 0 H GLY A 73 2.934 27.292 -13.846 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.355 24.549 -13.426 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.944 25.482 -12.969 1.00 0.00 H new ATOM 1047 N VAL A 74 0.761 25.194 -15.390 1.00 0.00 N ATOM 1048 CA VAL A 74 -0.097 24.620 -16.420 1.00 0.00 C ATOM 1049 C VAL A 74 0.696 24.304 -17.683 1.00 0.00 C ATOM 1050 O VAL A 74 0.356 23.383 -18.426 1.00 0.00 O ATOM 1051 CB VAL A 74 -1.256 25.569 -16.778 1.00 0.00 C ATOM 1052 CG1 VAL A 74 -2.287 25.599 -15.660 1.00 0.00 C ATOM 1053 CG2 VAL A 74 -0.729 26.966 -17.068 1.00 0.00 C ATOM 0 H VAL A 74 0.511 26.144 -15.115 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.507 23.696 -16.012 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.744 25.196 -17.678 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.098 26.275 -15.931 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.686 24.596 -15.506 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.817 25.947 -14.740 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.561 27.624 -17.319 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.215 27.351 -16.187 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.033 26.926 -17.906 1.00 0.00 H new ATOM 1063 N GLN A 75 1.754 25.073 -17.919 1.00 0.00 N ATOM 1064 CA GLN A 75 2.595 24.874 -19.093 1.00 0.00 C ATOM 1065 C GLN A 75 3.038 23.419 -19.205 1.00 0.00 C ATOM 1066 O GLN A 75 3.274 22.915 -20.302 1.00 0.00 O ATOM 1067 CB GLN A 75 3.820 25.789 -19.029 1.00 0.00 C ATOM 1068 CG GLN A 75 3.710 27.015 -19.921 1.00 0.00 C ATOM 1069 CD GLN A 75 4.011 26.709 -21.375 1.00 0.00 C ATOM 1070 OE1 GLN A 75 3.102 26.579 -22.195 1.00 0.00 O ATOM 1071 NE2 GLN A 75 5.292 26.593 -21.702 1.00 0.00 N ATOM 0 H GLN A 75 2.049 25.839 -17.313 1.00 0.00 H new ATOM 0 HA GLN A 75 2.008 25.125 -19.977 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.969 26.112 -17.999 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.704 25.219 -19.316 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.704 27.428 -19.841 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.399 27.781 -19.565 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.013 26.709 -20.990 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.556 26.388 -22.666 1.00 0.00 H new ATOM 1080 N GLY A 76 3.149 22.749 -18.062 1.00 0.00 N ATOM 1081 CA GLY A 76 3.564 21.358 -18.055 1.00 0.00 C ATOM 1082 C GLY A 76 2.466 20.428 -17.579 1.00 0.00 C ATOM 1083 O GLY A 76 2.448 19.249 -17.929 1.00 0.00 O ATOM 0 H GLY A 76 2.959 23.144 -17.141 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.871 21.069 -19.060 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.436 21.245 -17.411 1.00 0.00 H new ATOM 1087 N MET A 77 1.549 20.960 -16.777 1.00 0.00 N ATOM 1088 CA MET A 77 0.443 20.168 -16.252 1.00 0.00 C ATOM 1089 C MET A 77 -0.285 19.437 -17.376 1.00 0.00 C ATOM 1090 O MET A 77 -0.400 19.949 -18.490 1.00 0.00 O ATOM 1091 CB MET A 77 -0.537 21.063 -15.491 1.00 0.00 C ATOM 1092 CG MET A 77 -1.474 20.296 -14.573 1.00 0.00 C ATOM 1093 SD MET A 77 -0.765 20.007 -12.940 1.00 0.00 S ATOM 1094 CE MET A 77 -0.601 21.687 -12.341 1.00 0.00 C ATOM 0 H MET A 77 1.550 21.935 -16.477 1.00 0.00 H new ATOM 0 HA MET A 77 0.854 19.426 -15.567 1.00 0.00 H new ATOM 0 HB2 MET A 77 0.027 21.785 -14.900 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.129 21.631 -16.208 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.407 20.850 -14.467 1.00 0.00 H new ATOM 0 HG3 MET A 77 -1.722 19.339 -15.031 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.557 21.682 -11.252 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.313 22.128 -12.739 1.00 0.00 H new ATOM 0 HE3 MET A 77 -1.459 22.275 -12.667 1.00 0.00 H new ATOM 1104 N LYS A 78 -0.774 18.239 -17.077 1.00 0.00 N ATOM 1105 CA LYS A 78 -1.492 17.438 -18.062 1.00 0.00 C ATOM 1106 C LYS A 78 -2.938 17.216 -17.632 1.00 0.00 C ATOM 1107 O LYS A 78 -3.247 17.199 -16.440 1.00 0.00 O ATOM 1108 CB LYS A 78 -0.795 16.090 -18.259 1.00 0.00 C ATOM 1109 CG LYS A 78 0.513 16.188 -19.026 1.00 0.00 C ATOM 1110 CD LYS A 78 1.519 15.155 -18.546 1.00 0.00 C ATOM 1111 CE LYS A 78 2.493 15.751 -17.541 1.00 0.00 C ATOM 1112 NZ LYS A 78 3.712 16.292 -18.203 1.00 0.00 N ATOM 0 H LYS A 78 -0.686 17.801 -16.160 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.491 17.982 -19.007 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.602 15.644 -17.283 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.468 15.416 -18.790 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.324 16.046 -20.090 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.932 17.187 -18.907 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.992 14.317 -18.090 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.071 14.759 -19.399 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.999 16.547 -16.984 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.781 14.988 -16.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.537 16.140 -17.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.860 15.804 -19.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.591 17.311 -18.374 1.00 0.00 H new ATOM 1126 N VAL A 79 -3.822 17.043 -18.610 1.00 0.00 N ATOM 1127 CA VAL A 79 -5.236 16.819 -18.333 1.00 0.00 C ATOM 1128 C VAL A 79 -5.428 15.658 -17.365 1.00 0.00 C ATOM 1129 O VAL A 79 -4.959 14.548 -17.609 1.00 0.00 O ATOM 1130 CB VAL A 79 -6.022 16.531 -19.626 1.00 0.00 C ATOM 1131 CG1 VAL A 79 -7.490 16.280 -19.313 1.00 0.00 C ATOM 1132 CG2 VAL A 79 -5.867 17.681 -20.610 1.00 0.00 C ATOM 0 H VAL A 79 -3.583 17.054 -19.602 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.619 17.733 -17.880 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.614 15.631 -20.087 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.030 16.078 -20.238 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.578 15.422 -18.647 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.915 17.160 -18.830 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.429 17.461 -21.518 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.248 18.598 -20.161 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.813 17.809 -20.857 1.00 0.00 H new ATOM 1142 N GLY A 80 -6.124 15.922 -16.263 1.00 0.00 N ATOM 1143 CA GLY A 80 -6.368 14.889 -15.273 1.00 0.00 C ATOM 1144 C GLY A 80 -5.218 14.739 -14.297 1.00 0.00 C ATOM 1145 O GLY A 80 -5.262 13.898 -13.400 1.00 0.00 O ATOM 0 H GLY A 80 -6.523 16.833 -16.038 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.279 15.125 -14.723 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.538 13.938 -15.778 1.00 0.00 H new ATOM 1149 N GLY A 81 -4.183 15.555 -14.473 1.00 0.00 N ATOM 1150 CA GLY A 81 -3.030 15.491 -13.594 1.00 0.00 C ATOM 1151 C GLY A 81 -3.050 16.573 -12.533 1.00 0.00 C ATOM 1152 O GLY A 81 -3.395 17.721 -12.812 1.00 0.00 O ATOM 0 H GLY A 81 -4.123 16.259 -15.209 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.998 14.514 -13.112 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.120 15.584 -14.186 1.00 0.00 H new ATOM 1156 N VAL A 82 -2.680 16.206 -11.310 1.00 0.00 N ATOM 1157 CA VAL A 82 -2.657 17.153 -10.201 1.00 0.00 C ATOM 1158 C VAL A 82 -1.233 17.394 -9.713 1.00 0.00 C ATOM 1159 O VAL A 82 -0.450 16.455 -9.567 1.00 0.00 O ATOM 1160 CB VAL A 82 -3.516 16.659 -9.022 1.00 0.00 C ATOM 1161 CG1 VAL A 82 -3.579 17.713 -7.928 1.00 0.00 C ATOM 1162 CG2 VAL A 82 -4.913 16.290 -9.499 1.00 0.00 C ATOM 0 H VAL A 82 -2.392 15.259 -11.062 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.072 18.088 -10.576 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.051 15.766 -8.606 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.190 17.346 -7.104 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.572 17.924 -7.567 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.020 18.626 -8.328 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.506 15.943 -8.653 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.389 17.165 -9.942 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.845 15.497 -10.244 1.00 0.00 H new ATOM 1172 N ARG A 83 -0.905 18.657 -9.462 1.00 0.00 N ATOM 1173 CA ARG A 83 0.426 19.021 -8.991 1.00 0.00 C ATOM 1174 C ARG A 83 0.360 20.217 -8.045 1.00 0.00 C ATOM 1175 O ARG A 83 -0.400 21.158 -8.272 1.00 0.00 O ATOM 1176 CB ARG A 83 1.339 19.343 -10.175 1.00 0.00 C ATOM 1177 CG ARG A 83 2.804 19.481 -9.794 1.00 0.00 C ATOM 1178 CD ARG A 83 3.687 19.641 -11.022 1.00 0.00 C ATOM 1179 NE ARG A 83 3.525 18.534 -11.961 1.00 0.00 N ATOM 1180 CZ ARG A 83 4.101 18.494 -13.157 1.00 0.00 C ATOM 1181 NH1 ARG A 83 4.874 19.494 -13.558 1.00 0.00 N ATOM 1182 NH2 ARG A 83 3.906 17.452 -13.954 1.00 0.00 N ATOM 0 H ARG A 83 -1.542 19.445 -9.577 1.00 0.00 H new ATOM 0 HA ARG A 83 0.836 18.171 -8.446 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.239 18.557 -10.924 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.004 20.270 -10.640 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.931 20.343 -9.139 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.119 18.603 -9.230 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.446 20.579 -11.522 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.730 19.704 -10.713 1.00 0.00 H new ATOM 0 HE ARG A 83 2.937 17.748 -11.683 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.027 20.296 -12.947 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.315 19.461 -14.477 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.313 16.680 -13.649 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.349 17.422 -14.872 1.00 0.00 H new ATOM 1196 N ARG A 84 1.160 20.172 -6.985 1.00 0.00 N ATOM 1197 CA ARG A 84 1.190 21.250 -6.005 1.00 0.00 C ATOM 1198 C ARG A 84 2.192 22.327 -6.412 1.00 0.00 C ATOM 1199 O ARG A 84 3.403 22.151 -6.265 1.00 0.00 O ATOM 1200 CB ARG A 84 1.549 20.702 -4.622 1.00 0.00 C ATOM 1201 CG ARG A 84 1.111 21.601 -3.478 1.00 0.00 C ATOM 1202 CD ARG A 84 1.157 20.870 -2.146 1.00 0.00 C ATOM 1203 NE ARG A 84 2.455 21.006 -1.491 1.00 0.00 N ATOM 1204 CZ ARG A 84 2.844 20.255 -0.466 1.00 0.00 C ATOM 1205 NH1 ARG A 84 2.039 19.319 0.017 1.00 0.00 N ATOM 1206 NH2 ARG A 84 4.041 20.439 0.076 1.00 0.00 N ATOM 0 H ARG A 84 1.796 19.400 -6.783 1.00 0.00 H new ATOM 0 HA ARG A 84 0.197 21.697 -5.965 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.089 19.721 -4.499 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.628 20.558 -4.567 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.757 22.478 -3.435 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.098 21.959 -3.663 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.378 21.261 -1.491 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.940 19.814 -2.305 1.00 0.00 H new ATOM 0 HE ARG A 84 3.099 21.717 -1.839 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.119 19.174 -0.398 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.340 18.744 0.804 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.663 21.157 -0.294 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.339 19.862 0.863 1.00 0.00 H new ATOM 1220 N LEU A 85 1.681 23.440 -6.925 1.00 0.00 N ATOM 1221 CA LEU A 85 2.530 24.546 -7.354 1.00 0.00 C ATOM 1222 C LEU A 85 2.830 25.486 -6.191 1.00 0.00 C ATOM 1223 O LEU A 85 1.919 26.056 -5.589 1.00 0.00 O ATOM 1224 CB LEU A 85 1.859 25.319 -8.490 1.00 0.00 C ATOM 1225 CG LEU A 85 2.662 26.481 -9.077 1.00 0.00 C ATOM 1226 CD1 LEU A 85 3.471 26.017 -10.279 1.00 0.00 C ATOM 1227 CD2 LEU A 85 1.738 27.626 -9.464 1.00 0.00 C ATOM 0 H LEU A 85 0.682 23.601 -7.054 1.00 0.00 H new ATOM 0 HA LEU A 85 3.472 24.130 -7.712 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.630 24.619 -9.294 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.908 25.708 -8.126 1.00 0.00 H new ATOM 0 HG LEU A 85 3.354 26.841 -8.316 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.036 26.857 -10.684 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.160 25.230 -9.972 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.797 25.631 -11.044 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.327 28.444 -9.880 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.021 27.279 -10.209 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.203 27.976 -8.581 1.00 0.00 H new ATOM 1239 N THR A 86 4.113 25.646 -5.881 1.00 0.00 N ATOM 1240 CA THR A 86 4.532 26.517 -4.791 1.00 0.00 C ATOM 1241 C THR A 86 5.091 27.832 -5.322 1.00 0.00 C ATOM 1242 O THR A 86 6.070 27.844 -6.070 1.00 0.00 O ATOM 1243 CB THR A 86 5.597 25.840 -3.908 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.340 24.434 -3.822 1.00 0.00 O ATOM 1245 CG2 THR A 86 5.608 26.445 -2.512 1.00 0.00 C ATOM 0 H THR A 86 4.879 25.183 -6.370 1.00 0.00 H new ATOM 0 HA THR A 86 3.646 26.718 -4.189 1.00 0.00 H new ATOM 0 HB THR A 86 6.573 26.004 -4.365 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.022 24.010 -3.260 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.368 25.951 -1.907 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.833 27.509 -2.579 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.631 26.309 -2.049 1.00 0.00 H new ATOM 1253 N ILE A 87 4.465 28.937 -4.932 1.00 0.00 N ATOM 1254 CA ILE A 87 4.901 30.257 -5.369 1.00 0.00 C ATOM 1255 C ILE A 87 5.461 31.065 -4.203 1.00 0.00 C ATOM 1256 O ILE A 87 4.867 31.140 -3.126 1.00 0.00 O ATOM 1257 CB ILE A 87 3.749 31.045 -6.019 1.00 0.00 C ATOM 1258 CG1 ILE A 87 3.158 30.256 -7.189 1.00 0.00 C ATOM 1259 CG2 ILE A 87 4.236 32.409 -6.485 1.00 0.00 C ATOM 1260 CD1 ILE A 87 1.996 29.372 -6.796 1.00 0.00 C ATOM 0 H ILE A 87 3.654 28.944 -4.314 1.00 0.00 H new ATOM 0 HA ILE A 87 5.685 30.100 -6.110 1.00 0.00 H new ATOM 0 HB ILE A 87 2.967 31.195 -5.275 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.829 30.955 -7.958 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.940 29.639 -7.632 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.410 32.954 -6.942 1.00 0.00 H new ATOM 0 HG22 ILE A 87 4.613 32.972 -5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.034 32.280 -7.216 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.628 28.843 -7.675 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.325 28.649 -6.049 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.197 29.985 -6.380 1.00 0.00 H new ATOM 1272 N PRO A 88 6.629 31.686 -4.420 1.00 0.00 N ATOM 1273 CA PRO A 88 7.294 32.502 -3.399 1.00 0.00 C ATOM 1274 C PRO A 88 6.544 33.800 -3.116 1.00 0.00 C ATOM 1275 O PRO A 88 5.599 34.164 -3.816 1.00 0.00 O ATOM 1276 CB PRO A 88 8.662 32.798 -4.017 1.00 0.00 C ATOM 1277 CG PRO A 88 8.444 32.698 -5.487 1.00 0.00 C ATOM 1278 CD PRO A 88 7.392 31.640 -5.678 1.00 0.00 C ATOM 0 HA PRO A 88 7.348 31.990 -2.438 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.017 33.790 -3.736 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.412 32.083 -3.679 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.117 33.653 -5.899 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.367 32.428 -6.001 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.759 31.853 -6.540 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.835 30.658 -5.843 1.00 0.00 H new ATOM 1286 N PRO A 89 6.975 34.516 -2.067 1.00 0.00 N ATOM 1287 CA PRO A 89 6.359 35.785 -1.669 1.00 0.00 C ATOM 1288 C PRO A 89 6.634 36.902 -2.670 1.00 0.00 C ATOM 1289 O PRO A 89 6.103 38.005 -2.544 1.00 0.00 O ATOM 1290 CB PRO A 89 7.023 36.096 -0.325 1.00 0.00 C ATOM 1291 CG PRO A 89 8.332 35.386 -0.377 1.00 0.00 C ATOM 1292 CD PRO A 89 8.097 34.143 -1.190 1.00 0.00 C ATOM 0 HA PRO A 89 5.273 35.712 -1.616 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.159 37.169 -0.190 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.415 35.744 0.508 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.098 36.012 -0.834 1.00 0.00 H new ATOM 0 HG3 PRO A 89 8.681 35.137 0.625 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.981 33.865 -1.764 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.847 33.291 -0.558 1.00 0.00 H new ATOM 1300 N GLN A 90 7.467 36.609 -3.663 1.00 0.00 N ATOM 1301 CA GLN A 90 7.812 37.590 -4.685 1.00 0.00 C ATOM 1302 C GLN A 90 7.008 37.354 -5.960 1.00 0.00 C ATOM 1303 O GLN A 90 6.555 38.301 -6.604 1.00 0.00 O ATOM 1304 CB GLN A 90 9.309 37.530 -4.995 1.00 0.00 C ATOM 1305 CG GLN A 90 9.768 36.182 -5.525 1.00 0.00 C ATOM 1306 CD GLN A 90 11.162 35.813 -5.057 1.00 0.00 C ATOM 1307 OE1 GLN A 90 12.078 35.654 -5.863 1.00 0.00 O ATOM 1308 NE2 GLN A 90 11.329 35.676 -3.747 1.00 0.00 N ATOM 0 H GLN A 90 7.915 35.701 -3.782 1.00 0.00 H new ATOM 0 HA GLN A 90 7.567 38.580 -4.300 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.551 38.300 -5.727 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.869 37.764 -4.089 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.066 35.412 -5.205 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.748 36.199 -6.615 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.541 35.817 -3.115 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.245 35.429 -3.373 1.00 0.00 H new ATOM 1317 N LEU A 91 6.835 36.087 -6.318 1.00 0.00 N ATOM 1318 CA LEU A 91 6.085 35.726 -7.516 1.00 0.00 C ATOM 1319 C LEU A 91 4.607 35.528 -7.195 1.00 0.00 C ATOM 1320 O LEU A 91 3.859 34.960 -7.990 1.00 0.00 O ATOM 1321 CB LEU A 91 6.659 34.451 -8.137 1.00 0.00 C ATOM 1322 CG LEU A 91 8.153 34.478 -8.464 1.00 0.00 C ATOM 1323 CD1 LEU A 91 8.562 33.207 -9.192 1.00 0.00 C ATOM 1324 CD2 LEU A 91 8.494 35.705 -9.298 1.00 0.00 C ATOM 0 H LEU A 91 7.204 35.292 -5.796 1.00 0.00 H new ATOM 0 HA LEU A 91 6.176 36.544 -8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.472 33.622 -7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.110 34.239 -9.055 1.00 0.00 H new ATOM 0 HG LEU A 91 8.710 34.533 -7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.628 33.243 -9.417 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.354 32.343 -8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.998 33.122 -10.121 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.561 35.708 -9.521 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.928 35.681 -10.229 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.237 36.606 -8.741 1.00 0.00 H new ATOM 1336 N GLY A 92 4.192 36.002 -6.024 1.00 0.00 N ATOM 1337 CA GLY A 92 2.805 35.869 -5.619 1.00 0.00 C ATOM 1338 C GLY A 92 2.140 37.210 -5.378 1.00 0.00 C ATOM 1339 O GLY A 92 2.242 38.118 -6.204 1.00 0.00 O ATOM 0 H GLY A 92 4.792 36.476 -5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.255 35.328 -6.389 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.751 35.271 -4.709 1.00 0.00 H new ATOM 1343 N TYR A 93 1.456 37.335 -4.247 1.00 0.00 N ATOM 1344 CA TYR A 93 0.769 38.573 -3.902 1.00 0.00 C ATOM 1345 C TYR A 93 1.713 39.767 -4.001 1.00 0.00 C ATOM 1346 O TYR A 93 1.450 40.722 -4.731 1.00 0.00 O ATOM 1347 CB TYR A 93 0.190 38.483 -2.489 1.00 0.00 C ATOM 1348 CG TYR A 93 -1.011 37.571 -2.383 1.00 0.00 C ATOM 1349 CD1 TYR A 93 -2.288 38.034 -2.675 1.00 0.00 C ATOM 1350 CD2 TYR A 93 -0.869 36.245 -1.994 1.00 0.00 C ATOM 1351 CE1 TYR A 93 -3.388 37.204 -2.579 1.00 0.00 C ATOM 1352 CE2 TYR A 93 -1.963 35.407 -1.897 1.00 0.00 C ATOM 1353 CZ TYR A 93 -3.221 35.891 -2.190 1.00 0.00 C ATOM 1354 OH TYR A 93 -4.314 35.061 -2.095 1.00 0.00 O ATOM 0 H TYR A 93 1.362 36.593 -3.553 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.045 38.717 -4.613 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.965 38.129 -1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.093 39.482 -2.157 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.423 39.061 -2.982 1.00 0.00 H new ATOM 0 HD2 TYR A 93 0.114 35.862 -1.763 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.374 37.581 -2.807 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.834 34.379 -1.593 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.033 34.188 -1.749 1.00 0.00 H new ATOM 1364 N GLY A 94 2.816 39.704 -3.261 1.00 0.00 N ATOM 1365 CA GLY A 94 3.785 40.785 -3.280 1.00 0.00 C ATOM 1366 C GLY A 94 4.155 41.256 -1.887 1.00 0.00 C ATOM 1367 O GLY A 94 3.841 40.595 -0.898 1.00 0.00 O ATOM 0 H GLY A 94 3.056 38.924 -2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 94 4.684 40.454 -3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 94 3.380 41.622 -3.848 1.00 0.00 H new ATOM 1371 N ALA A 95 4.825 42.401 -1.810 1.00 0.00 N ATOM 1372 CA ALA A 95 5.238 42.959 -0.529 1.00 0.00 C ATOM 1373 C ALA A 95 4.030 43.370 0.306 1.00 0.00 C ATOM 1374 O ALA A 95 4.086 43.374 1.536 1.00 0.00 O ATOM 1375 CB ALA A 95 6.162 44.149 -0.745 1.00 0.00 C ATOM 0 H ALA A 95 5.093 42.960 -2.620 1.00 0.00 H new ATOM 0 HA ALA A 95 5.779 42.187 0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 95 6.463 44.556 0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 95 7.047 43.828 -1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.639 44.917 -1.315 1.00 0.00 H new ATOM 1381 N ARG A 96 2.939 43.716 -0.370 1.00 0.00 N ATOM 1382 CA ARG A 96 1.718 44.130 0.310 1.00 0.00 C ATOM 1383 C ARG A 96 1.065 42.949 1.021 1.00 0.00 C ATOM 1384 O ARG A 96 0.700 43.041 2.193 1.00 0.00 O ATOM 1385 CB ARG A 96 0.736 44.745 -0.689 1.00 0.00 C ATOM 1386 CG ARG A 96 0.959 46.229 -0.928 1.00 0.00 C ATOM 1387 CD ARG A 96 -0.318 46.917 -1.385 1.00 0.00 C ATOM 1388 NE ARG A 96 -1.226 47.181 -0.272 1.00 0.00 N ATOM 1389 CZ ARG A 96 -1.099 48.216 0.550 1.00 0.00 C ATOM 1390 NH1 ARG A 96 -0.107 49.081 0.386 1.00 0.00 N ATOM 1391 NH2 ARG A 96 -1.966 48.389 1.540 1.00 0.00 N ATOM 0 H ARG A 96 2.876 43.718 -1.388 1.00 0.00 H new ATOM 0 HA ARG A 96 1.983 44.879 1.056 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.818 44.216 -1.639 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -0.281 44.593 -0.327 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.318 46.697 -0.011 1.00 0.00 H new ATOM 0 HG3 ARG A 96 1.736 46.365 -1.680 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -0.067 47.856 -1.879 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.822 46.293 -2.123 1.00 0.00 H new ATOM 0 HE ARG A 96 -2.000 46.535 -0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 96 0.561 48.952 -0.374 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.013 49.875 1.019 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -2.731 47.727 1.670 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -1.868 49.184 2.171 1.00 0.00 H new ATOM 1405 N GLY A 97 0.920 41.839 0.304 1.00 0.00 N ATOM 1406 CA GLY A 97 0.310 40.656 0.882 1.00 0.00 C ATOM 1407 C GLY A 97 -1.136 40.883 1.278 1.00 0.00 C ATOM 1408 O GLY A 97 -1.593 42.023 1.357 1.00 0.00 O ATOM 0 H GLY A 97 1.214 41.738 -0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 97 0.363 39.837 0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.880 40.349 1.759 1.00 0.00 H new ATOM 1412 N ALA A 98 -1.858 39.796 1.524 1.00 0.00 N ATOM 1413 CA ALA A 98 -3.260 39.882 1.913 1.00 0.00 C ATOM 1414 C ALA A 98 -3.401 40.334 3.363 1.00 0.00 C ATOM 1415 O ALA A 98 -2.616 39.942 4.225 1.00 0.00 O ATOM 1416 CB ALA A 98 -3.949 38.540 1.708 1.00 0.00 C ATOM 0 H ALA A 98 -1.495 38.845 1.461 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.742 40.626 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.995 38.619 2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.888 38.257 0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.457 37.782 2.317 1.00 0.00 H new ATOM 1422 N GLY A 99 -4.408 41.163 3.624 1.00 0.00 N ATOM 1423 CA GLY A 99 -4.632 41.656 4.970 1.00 0.00 C ATOM 1424 C GLY A 99 -5.117 40.572 5.912 1.00 0.00 C ATOM 1425 O GLY A 99 -6.305 40.254 5.944 1.00 0.00 O ATOM 0 H GLY A 99 -5.072 41.501 2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.706 42.081 5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.365 42.462 4.941 1.00 0.00 H new ATOM 1429 N GLY A 100 -4.194 39.999 6.679 1.00 0.00 N ATOM 1430 CA GLY A 100 -4.554 38.949 7.613 1.00 0.00 C ATOM 1431 C GLY A 100 -4.113 37.577 7.142 1.00 0.00 C ATOM 1432 O GLY A 100 -3.988 36.649 7.940 1.00 0.00 O ATOM 0 H GLY A 100 -3.204 40.244 6.670 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.103 39.159 8.583 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.634 38.950 7.757 1.00 0.00 H new ATOM 1436 N VAL A 101 -3.878 37.448 5.840 1.00 0.00 N ATOM 1437 CA VAL A 101 -3.449 36.180 5.263 1.00 0.00 C ATOM 1438 C VAL A 101 -2.250 36.373 4.341 1.00 0.00 C ATOM 1439 O VAL A 101 -2.103 37.420 3.709 1.00 0.00 O ATOM 1440 CB VAL A 101 -4.588 35.509 4.472 1.00 0.00 C ATOM 1441 CG1 VAL A 101 -4.289 34.034 4.252 1.00 0.00 C ATOM 1442 CG2 VAL A 101 -5.915 35.692 5.192 1.00 0.00 C ATOM 0 H VAL A 101 -3.978 38.206 5.165 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.164 35.535 6.094 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.661 35.989 3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.105 33.577 3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.360 33.931 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.187 33.536 5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.709 35.212 4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.857 35.240 6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.132 36.756 5.291 1.00 0.00 H new ATOM 1452 N ILE A 102 -1.396 35.358 4.269 1.00 0.00 N ATOM 1453 CA ILE A 102 -0.211 35.415 3.423 1.00 0.00 C ATOM 1454 C ILE A 102 0.701 36.568 3.832 1.00 0.00 C ATOM 1455 O ILE A 102 0.692 37.642 3.230 1.00 0.00 O ATOM 1456 CB ILE A 102 -0.586 35.575 1.938 1.00 0.00 C ATOM 1457 CG1 ILE A 102 -1.370 34.353 1.454 1.00 0.00 C ATOM 1458 CG2 ILE A 102 0.664 35.777 1.094 1.00 0.00 C ATOM 1459 CD1 ILE A 102 -2.860 34.594 1.351 1.00 0.00 C ATOM 0 H ILE A 102 -1.503 34.486 4.787 1.00 0.00 H new ATOM 0 HA ILE A 102 0.317 34.471 3.556 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.219 36.456 1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -0.990 34.051 0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.191 33.522 2.137 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.382 35.888 0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.187 36.674 1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.320 34.913 1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.352 33.686 1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.253 34.867 2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.050 35.403 0.646 1.00 0.00 H new ATOM 1471 N PRO A 103 1.508 36.341 4.878 1.00 0.00 N ATOM 1472 CA PRO A 103 2.443 37.347 5.390 1.00 0.00 C ATOM 1473 C PRO A 103 3.599 37.606 4.429 1.00 0.00 C ATOM 1474 O PRO A 103 3.801 36.882 3.454 1.00 0.00 O ATOM 1475 CB PRO A 103 2.958 36.725 6.690 1.00 0.00 C ATOM 1476 CG PRO A 103 2.796 35.257 6.497 1.00 0.00 C ATOM 1477 CD PRO A 103 1.571 35.083 5.643 1.00 0.00 C ATOM 0 HA PRO A 103 1.964 38.316 5.526 1.00 0.00 H new ATOM 0 HB2 PRO A 103 4.000 36.988 6.869 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.388 37.077 7.550 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.673 34.828 6.013 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.680 34.748 7.454 1.00 0.00 H new ATOM 0 HD2 PRO A 103 1.658 34.217 4.987 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.677 34.935 6.248 1.00 0.00 H new ATOM 1485 N PRO A 104 4.376 38.663 4.709 1.00 0.00 N ATOM 1486 CA PRO A 104 5.526 39.041 3.881 1.00 0.00 C ATOM 1487 C PRO A 104 6.673 38.043 3.993 1.00 0.00 C ATOM 1488 O PRO A 104 6.972 37.545 5.078 1.00 0.00 O ATOM 1489 CB PRO A 104 5.941 40.400 4.451 1.00 0.00 C ATOM 1490 CG PRO A 104 5.457 40.384 5.860 1.00 0.00 C ATOM 1491 CD PRO A 104 4.193 39.570 5.854 1.00 0.00 C ATOM 0 HA PRO A 104 5.275 39.067 2.821 1.00 0.00 H new ATOM 0 HB2 PRO A 104 7.022 40.535 4.405 1.00 0.00 H new ATOM 0 HB3 PRO A 104 5.493 41.219 3.888 1.00 0.00 H new ATOM 0 HG2 PRO A 104 6.201 39.944 6.523 1.00 0.00 H new ATOM 0 HG3 PRO A 104 5.268 41.396 6.219 1.00 0.00 H new ATOM 0 HD2 PRO A 104 4.065 39.020 6.786 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.311 40.199 5.732 1.00 0.00 H new ATOM 1499 N ASN A 105 7.314 37.756 2.864 1.00 0.00 N ATOM 1500 CA ASN A 105 8.429 36.817 2.836 1.00 0.00 C ATOM 1501 C ASN A 105 7.968 35.413 3.216 1.00 0.00 C ATOM 1502 O ASN A 105 8.724 34.637 3.799 1.00 0.00 O ATOM 1503 CB ASN A 105 9.535 37.278 3.788 1.00 0.00 C ATOM 1504 CG ASN A 105 9.722 38.782 3.772 1.00 0.00 C ATOM 1505 OD1 ASN A 105 9.881 39.388 2.712 1.00 0.00 O ATOM 1506 ND2 ASN A 105 9.704 39.393 4.951 1.00 0.00 N ATOM 0 H ASN A 105 7.080 38.160 1.957 1.00 0.00 H new ATOM 0 HA ASN A 105 8.822 36.788 1.820 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.296 36.955 4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 105 10.473 36.795 3.512 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.825 40.404 5.003 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.569 38.851 5.804 1.00 0.00 H new ATOM 1513 N ALA A 106 6.723 35.094 2.880 1.00 0.00 N ATOM 1514 CA ALA A 106 6.161 33.783 3.182 1.00 0.00 C ATOM 1515 C ALA A 106 5.990 32.954 1.914 1.00 0.00 C ATOM 1516 O ALA A 106 5.985 33.489 0.805 1.00 0.00 O ATOM 1517 CB ALA A 106 4.829 33.933 3.902 1.00 0.00 C ATOM 0 H ALA A 106 6.083 35.726 2.398 1.00 0.00 H new ATOM 0 HA ALA A 106 6.857 33.258 3.836 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.421 32.946 4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 106 4.978 34.479 4.833 1.00 0.00 H new ATOM 0 HB3 ALA A 106 4.132 34.481 3.268 1.00 0.00 H new ATOM 1523 N THR A 107 5.850 31.643 2.085 1.00 0.00 N ATOM 1524 CA THR A 107 5.680 30.739 0.955 1.00 0.00 C ATOM 1525 C THR A 107 4.210 30.395 0.742 1.00 0.00 C ATOM 1526 O THR A 107 3.526 29.949 1.664 1.00 0.00 O ATOM 1527 CB THR A 107 6.477 29.436 1.153 1.00 0.00 C ATOM 1528 OG1 THR A 107 7.869 29.732 1.310 1.00 0.00 O ATOM 1529 CG2 THR A 107 6.283 28.498 -0.030 1.00 0.00 C ATOM 0 H THR A 107 5.851 31.184 2.996 1.00 0.00 H new ATOM 0 HA THR A 107 6.060 31.258 0.075 1.00 0.00 H new ATOM 0 HB THR A 107 6.107 28.943 2.052 1.00 0.00 H new ATOM 0 HG1 THR A 107 8.368 28.898 1.437 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.855 27.585 0.132 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.226 28.251 -0.129 1.00 0.00 H new ATOM 0 HG23 THR A 107 6.629 28.986 -0.941 1.00 0.00 H new ATOM 1537 N LEU A 108 3.729 30.603 -0.479 1.00 0.00 N ATOM 1538 CA LEU A 108 2.339 30.314 -0.813 1.00 0.00 C ATOM 1539 C LEU A 108 2.211 28.943 -1.469 1.00 0.00 C ATOM 1540 O LEU A 108 2.859 28.661 -2.477 1.00 0.00 O ATOM 1541 CB LEU A 108 1.784 31.392 -1.746 1.00 0.00 C ATOM 1542 CG LEU A 108 2.331 32.805 -1.541 1.00 0.00 C ATOM 1543 CD1 LEU A 108 1.638 33.786 -2.473 1.00 0.00 C ATOM 1544 CD2 LEU A 108 2.165 33.235 -0.091 1.00 0.00 C ATOM 0 H LEU A 108 4.281 30.971 -1.254 1.00 0.00 H new ATOM 0 HA LEU A 108 1.762 30.310 0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.985 31.092 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.701 31.423 -1.629 1.00 0.00 H new ATOM 0 HG LEU A 108 3.395 32.801 -1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.040 34.786 -2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.809 33.488 -3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.567 33.788 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.560 34.243 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.108 33.223 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.709 32.548 0.557 1.00 0.00 H new ATOM 1556 N VAL A 109 1.368 28.093 -0.890 1.00 0.00 N ATOM 1557 CA VAL A 109 1.151 26.752 -1.420 1.00 0.00 C ATOM 1558 C VAL A 109 -0.162 26.671 -2.190 1.00 0.00 C ATOM 1559 O VAL A 109 -1.243 26.709 -1.601 1.00 0.00 O ATOM 1560 CB VAL A 109 1.140 25.699 -0.295 1.00 0.00 C ATOM 1561 CG1 VAL A 109 0.856 24.316 -0.861 1.00 0.00 C ATOM 1562 CG2 VAL A 109 2.460 25.715 0.461 1.00 0.00 C ATOM 0 H VAL A 109 0.825 28.309 -0.054 1.00 0.00 H new ATOM 0 HA VAL A 109 1.979 26.541 -2.097 1.00 0.00 H new ATOM 0 HB VAL A 109 0.343 25.948 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.852 23.586 -0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.116 24.317 -1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.628 24.053 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.435 24.965 1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.276 25.491 -0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.616 26.701 0.900 1.00 0.00 H new ATOM 1572 N PHE A 110 -0.061 26.557 -3.510 1.00 0.00 N ATOM 1573 CA PHE A 110 -1.242 26.471 -4.362 1.00 0.00 C ATOM 1574 C PHE A 110 -1.285 25.135 -5.097 1.00 0.00 C ATOM 1575 O PHE A 110 -0.287 24.696 -5.667 1.00 0.00 O ATOM 1576 CB PHE A 110 -1.254 27.621 -5.371 1.00 0.00 C ATOM 1577 CG PHE A 110 -1.627 28.945 -4.767 1.00 0.00 C ATOM 1578 CD1 PHE A 110 -2.954 29.334 -4.683 1.00 0.00 C ATOM 1579 CD2 PHE A 110 -0.650 29.801 -4.283 1.00 0.00 C ATOM 1580 CE1 PHE A 110 -3.301 30.551 -4.127 1.00 0.00 C ATOM 1581 CE2 PHE A 110 -0.991 31.019 -3.726 1.00 0.00 C ATOM 1582 CZ PHE A 110 -2.317 31.395 -3.649 1.00 0.00 C ATOM 0 H PHE A 110 0.826 26.522 -4.013 1.00 0.00 H new ATOM 0 HA PHE A 110 -2.124 26.545 -3.726 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -0.267 27.704 -5.827 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -1.956 27.385 -6.171 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -3.727 28.678 -5.056 1.00 0.00 H new ATOM 0 HD2 PHE A 110 0.389 29.513 -4.342 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.339 30.842 -4.066 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.220 31.676 -3.351 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.585 32.347 -3.216 1.00 0.00 H new ATOM 1592 N GLU A 111 -2.450 24.494 -5.079 1.00 0.00 N ATOM 1593 CA GLU A 111 -2.623 23.206 -5.742 1.00 0.00 C ATOM 1594 C GLU A 111 -3.436 23.360 -7.024 1.00 0.00 C ATOM 1595 O GLU A 111 -4.569 23.841 -7.001 1.00 0.00 O ATOM 1596 CB GLU A 111 -3.313 22.213 -4.804 1.00 0.00 C ATOM 1597 CG GLU A 111 -3.771 20.940 -5.496 1.00 0.00 C ATOM 1598 CD GLU A 111 -5.214 21.012 -5.954 1.00 0.00 C ATOM 1599 OE1 GLU A 111 -6.112 20.720 -5.138 1.00 0.00 O ATOM 1600 OE2 GLU A 111 -5.445 21.362 -7.131 1.00 0.00 O ATOM 0 H GLU A 111 -3.287 24.845 -4.613 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.636 22.824 -6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.628 21.952 -3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.175 22.698 -4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.130 20.748 -6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.652 20.097 -4.815 1.00 0.00 H new ATOM 1607 N VAL A 112 -2.848 22.949 -8.143 1.00 0.00 N ATOM 1608 CA VAL A 112 -3.516 23.040 -9.436 1.00 0.00 C ATOM 1609 C VAL A 112 -3.696 21.661 -10.060 1.00 0.00 C ATOM 1610 O VAL A 112 -2.745 20.888 -10.165 1.00 0.00 O ATOM 1611 CB VAL A 112 -2.729 23.934 -10.412 1.00 0.00 C ATOM 1612 CG1 VAL A 112 -3.527 24.166 -11.686 1.00 0.00 C ATOM 1613 CG2 VAL A 112 -2.368 25.256 -9.751 1.00 0.00 C ATOM 0 H VAL A 112 -1.910 22.550 -8.180 1.00 0.00 H new ATOM 0 HA VAL A 112 -4.495 23.485 -9.256 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.804 23.423 -10.679 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.955 24.800 -12.363 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -3.729 23.209 -12.168 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -4.470 24.655 -11.441 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -1.812 25.875 -10.455 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.279 25.774 -9.453 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -1.754 25.067 -8.871 1.00 0.00 H new ATOM 1623 N GLU A 113 -4.923 21.360 -10.472 1.00 0.00 N ATOM 1624 CA GLU A 113 -5.228 20.072 -11.086 1.00 0.00 C ATOM 1625 C GLU A 113 -5.975 20.261 -12.403 1.00 0.00 C ATOM 1626 O GLU A 113 -7.063 20.837 -12.436 1.00 0.00 O ATOM 1627 CB GLU A 113 -6.061 19.213 -10.133 1.00 0.00 C ATOM 1628 CG GLU A 113 -7.280 19.928 -9.575 1.00 0.00 C ATOM 1629 CD GLU A 113 -7.913 19.184 -8.416 1.00 0.00 C ATOM 1630 OE1 GLU A 113 -7.807 17.940 -8.379 1.00 0.00 O ATOM 1631 OE2 GLU A 113 -8.516 19.846 -7.545 1.00 0.00 O ATOM 0 H GLU A 113 -5.722 21.989 -10.392 1.00 0.00 H new ATOM 0 HA GLU A 113 -4.286 19.564 -11.292 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -6.386 18.315 -10.658 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.431 18.888 -9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.992 20.927 -9.247 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -8.018 20.053 -10.368 1.00 0.00 H new ATOM 1638 N LEU A 114 -5.383 19.772 -13.487 1.00 0.00 N ATOM 1639 CA LEU A 114 -5.991 19.886 -14.808 1.00 0.00 C ATOM 1640 C LEU A 114 -7.273 19.065 -14.890 1.00 0.00 C ATOM 1641 O LEU A 114 -7.280 17.872 -14.584 1.00 0.00 O ATOM 1642 CB LEU A 114 -5.007 19.426 -15.886 1.00 0.00 C ATOM 1643 CG LEU A 114 -5.087 20.160 -17.225 1.00 0.00 C ATOM 1644 CD1 LEU A 114 -6.531 20.273 -17.686 1.00 0.00 C ATOM 1645 CD2 LEU A 114 -4.450 21.538 -17.117 1.00 0.00 C ATOM 0 H LEU A 114 -4.483 19.293 -13.477 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.241 20.934 -14.976 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.995 19.533 -15.496 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.168 18.363 -16.067 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.534 19.584 -17.967 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -6.568 20.798 -18.640 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.954 19.276 -17.804 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.107 20.826 -16.945 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -4.516 22.046 -18.079 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.974 22.123 -16.361 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.403 21.434 -16.833 1.00 0.00 H new ATOM 1657 N LEU A 115 -8.357 19.710 -15.307 1.00 0.00 N ATOM 1658 CA LEU A 115 -9.646 19.039 -15.432 1.00 0.00 C ATOM 1659 C LEU A 115 -10.020 18.846 -16.899 1.00 0.00 C ATOM 1660 O LEU A 115 -10.666 17.863 -17.261 1.00 0.00 O ATOM 1661 CB LEU A 115 -10.734 19.843 -14.718 1.00 0.00 C ATOM 1662 CG LEU A 115 -10.731 19.768 -13.191 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -10.740 21.164 -12.588 1.00 0.00 C ATOM 1664 CD2 LEU A 115 -11.922 18.963 -12.694 1.00 0.00 C ATOM 0 H LEU A 115 -8.369 20.697 -15.564 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.563 18.058 -14.965 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.636 20.888 -15.011 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -11.705 19.501 -15.077 1.00 0.00 H new ATOM 0 HG LEU A 115 -9.819 19.263 -12.873 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.738 21.091 -11.500 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.855 21.708 -12.917 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.634 21.695 -12.914 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.903 18.920 -11.605 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -12.846 19.439 -13.023 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.872 17.952 -13.098 1.00 0.00 H new ATOM 1676 N ASP A 116 -9.607 19.790 -17.738 1.00 0.00 N ATOM 1677 CA ASP A 116 -9.896 19.723 -19.166 1.00 0.00 C ATOM 1678 C ASP A 116 -9.145 20.813 -19.923 1.00 0.00 C ATOM 1679 O ASP A 116 -8.738 21.820 -19.343 1.00 0.00 O ATOM 1680 CB ASP A 116 -11.400 19.858 -19.411 1.00 0.00 C ATOM 1681 CG ASP A 116 -11.865 19.055 -20.610 1.00 0.00 C ATOM 1682 OD1 ASP A 116 -11.371 17.923 -20.794 1.00 0.00 O ATOM 1683 OD2 ASP A 116 -12.724 19.559 -21.363 1.00 0.00 O ATOM 0 H ASP A 116 -9.071 20.610 -17.454 1.00 0.00 H new ATOM 0 HA ASP A 116 -9.562 18.753 -19.534 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.941 19.528 -18.524 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.648 20.909 -19.563 1.00 0.00 H new ATOM 1688 N VAL A 117 -8.962 20.604 -21.224 1.00 0.00 N ATOM 1689 CA VAL A 117 -8.260 21.569 -22.061 1.00 0.00 C ATOM 1690 C VAL A 117 -8.938 21.715 -23.419 1.00 0.00 C ATOM 1691 O VAL A 117 -9.451 20.728 -23.945 1.00 0.00 O ATOM 1692 CB VAL A 117 -6.790 21.161 -22.275 1.00 0.00 C ATOM 1693 CG1 VAL A 117 -6.706 19.772 -22.890 1.00 0.00 C ATOM 1694 CG2 VAL A 117 -6.075 22.183 -23.146 1.00 0.00 C ATOM 0 H VAL A 117 -9.290 19.775 -21.720 1.00 0.00 H new ATOM 0 HA VAL A 117 -8.292 22.525 -21.538 1.00 0.00 H new ATOM 0 HB VAL A 117 -6.293 21.134 -21.305 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.660 19.500 -23.034 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.180 19.050 -22.225 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.218 19.769 -23.853 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.038 21.879 -23.287 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -6.570 22.245 -24.115 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -6.104 23.159 -22.661 1.00 0.00 H new TER 1704 VAL A 117 HETATM 1705 C1 L2S A 130 -5.508 32.252 -9.888 1.00 0.00 C HETATM 1706 N1 L2S A 130 -6.147 34.474 -8.140 1.00 0.00 N HETATM 1707 O1 L2S A 130 -5.579 36.434 -7.115 1.00 0.00 O HETATM 1708 S1 L2S A 130 -8.546 35.043 -5.772 1.00 0.00 S HETATM 1709 C2 L2S A 130 -4.584 33.465 -9.830 1.00 0.00 C HETATM 1710 C3 L2S A 130 -4.722 34.171 -8.468 1.00 0.00 C HETATM 1711 C4 L2S A 130 -7.135 33.374 -8.329 1.00 0.00 C HETATM 1712 C5 L2S A 130 -6.970 32.672 -9.685 1.00 0.00 C HETATM 1713 C6 L2S A 130 -6.439 35.629 -7.488 1.00 0.00 C HETATM 1714 C7 L2S A 130 -7.909 35.983 -7.225 1.00 0.00 C HETATM 1715 C8 L2S A 130 -7.924 35.903 -4.373 1.00 0.00 C HETATM 1716 C9 L2S A 130 -7.494 35.116 -3.280 1.00 0.00 C HETATM 1717 C10 L2S A 130 -7.167 35.733 -2.057 1.00 0.00 C HETATM 1718 C11 L2S A 130 -7.269 37.144 -1.952 1.00 0.00 C HETATM 1719 C12 L2S A 130 -7.696 37.933 -3.036 1.00 0.00 C HETATM 1720 C13 L2S A 130 -8.023 37.316 -4.258 1.00 0.00 C HETATM 1721 C14 L2S A 130 -6.946 37.759 -0.738 1.00 0.00 C HETATM 0 H314 L2S A 130 -7.599 37.379 0.047 1.00 0.00 H new HETATM 0 H214 L2S A 130 -5.909 37.541 -0.484 1.00 0.00 H new HETATM 0 H114 L2S A 130 -7.078 38.837 -0.830 1.00 0.00 H new HETATM 0 H113 L2S A 130 -8.349 37.916 -5.108 1.00 0.00 H new HETATM 0 H112 L2S A 130 -7.773 39.015 -2.930 1.00 0.00 H new HETATM 0 H9 L2S A 130 -7.416 34.034 -3.384 1.00 0.00 H new HETATM 0 H27 L2S A 130 -8.508 35.753 -8.106 1.00 0.00 H new HETATM 0 H25 L2S A 130 -7.279 33.340 -10.489 1.00 0.00 H new HETATM 0 H24 L2S A 130 -7.021 32.644 -7.528 1.00 0.00 H new HETATM 0 H23 L2S A 130 -4.147 35.097 -8.479 1.00 0.00 H new HETATM 0 H22 L2S A 130 -3.551 33.153 -9.983 1.00 0.00 H new HETATM 0 H21 L2S A 130 -5.399 31.751 -10.850 1.00 0.00 H new HETATM 0 H17 L2S A 130 -8.005 37.054 -7.044 1.00 0.00 H new HETATM 0 H15 L2S A 130 -7.618 31.796 -9.731 1.00 0.00 H new HETATM 0 H14 L2S A 130 -8.145 33.777 -8.251 1.00 0.00 H new HETATM 0 H13 L2S A 130 -4.296 33.541 -7.687 1.00 0.00 H new HETATM 0 H12 L2S A 130 -4.830 34.158 -10.634 1.00 0.00 H new HETATM 0 H11 L2S A 130 -5.221 31.533 -9.120 1.00 0.00 H new HETATM 0 H10 L2S A 130 -6.841 35.136 -1.205 1.00 0.00 H new