USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 803 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 GLN : amide:sc= -5.45! C(o=-5.4!,f=-4.9!) USER MOD Set 1.2: A 94 LYS NZ :NH3+ -145:sc= 0 (180deg=0) USER MOD Set 2.1: A 41 TYR OH : rot -119:sc= 0.702 USER MOD Set 2.2: A 63 ASN : amide:sc= 0.127 K(o=0.83,f=-0.16) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.573 USER MOD Single : A 10 THR OG1 : rot 125:sc= 1.19 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=-0.41) USER MOD Single : A 16 GLN : amide:sc= -2.2 K(o=-2.2,f=-0.62) USER MOD Single : A 18 SER OG : rot 2:sc= 1.03 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.64! USER MOD Single : A 21 MET CE :methyl 177:sc= -1.74 (180deg=-1.79) USER MOD Single : A 23 SER OG : rot 180:sc= -0.588 USER MOD Single : A 25 THR OG1 : rot 170:sc= 0.838 USER MOD Single : A 27 SER OG : rot 180:sc= -0.044 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 33 GLN : amide:sc= -0.118 K(o=-0.12,f=-2.2!) USER MOD Single : A 35 ASN : amide:sc= 0.41 K(o=0.41,f=-0.22) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -2.48! C(o=-2.5!,f=-2.2!) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 55 SER OG : rot -48:sc= 0.508 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -141:sc= -1.83 (180deg=-3.74) USER MOD Single : A 60 SER OG : rot 80:sc= -0.855 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 160:sc= -1.06 USER MOD Single : A 64 THR OG1 : rot 38:sc= 0.00378 USER MOD Single : A 74 MET CE :methyl -160:sc= -1.46 (180deg=-2.54!) USER MOD Single : A 76 TYR OH : rot 30:sc= 0.0149 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0889 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 120:sc= -1.29 USER MOD Single : A 95 MET CE :methyl 173:sc= 0 (180deg=-0.0348) USER MOD Single : A 96 CYS SG : rot 180:sc= -1.28 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot -149:sc= 0.246 USER MOD Single : A 101 THR OG1 : rot 29:sc= 0.775 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= -0.0216 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.567 -12.480 -1.565 1.00 0.00 N ATOM 2 CA GLY A 1 -17.141 -13.627 -0.886 1.00 0.00 C ATOM 3 C GLY A 1 -16.124 -14.724 -0.641 1.00 0.00 C ATOM 4 O GLY A 1 -15.158 -14.530 0.097 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.302 -11.758 -1.709 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.800 -12.082 -0.986 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.187 -12.776 -2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.563 -13.308 0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.963 -14.024 -1.482 1.00 0.00 H new ATOM 8 N SER A 2 -16.341 -15.880 -1.260 1.00 0.00 N ATOM 9 CA SER A 2 -15.439 -17.014 -1.100 1.00 0.00 C ATOM 10 C SER A 2 -14.064 -16.701 -1.682 1.00 0.00 C ATOM 11 O SER A 2 -13.951 -16.189 -2.795 1.00 0.00 O ATOM 12 CB SER A 2 -16.021 -18.256 -1.778 1.00 0.00 C ATOM 13 OG SER A 2 -16.927 -18.929 -0.921 1.00 0.00 O ATOM 0 H SER A 2 -17.134 -16.056 -1.877 1.00 0.00 H new ATOM 0 HA SER A 2 -15.327 -17.210 -0.034 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.531 -17.967 -2.697 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.214 -18.931 -2.061 1.00 0.00 H new ATOM 0 HG SER A 2 -17.286 -19.718 -1.379 1.00 0.00 H new ATOM 19 N SER A 3 -13.021 -17.011 -0.919 1.00 0.00 N ATOM 20 CA SER A 3 -11.653 -16.760 -1.356 1.00 0.00 C ATOM 21 C SER A 3 -10.839 -18.050 -1.363 1.00 0.00 C ATOM 22 O SER A 3 -10.395 -18.524 -0.318 1.00 0.00 O ATOM 23 CB SER A 3 -10.985 -15.728 -0.444 1.00 0.00 C ATOM 24 OG SER A 3 -9.857 -15.146 -1.073 1.00 0.00 O ATOM 0 H SER A 3 -13.097 -17.436 0.005 1.00 0.00 H new ATOM 0 HA SER A 3 -11.689 -16.368 -2.372 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.702 -14.950 -0.184 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.680 -16.205 0.488 1.00 0.00 H new ATOM 0 HG SER A 3 -9.449 -14.489 -0.471 1.00 0.00 H new ATOM 30 N GLY A 4 -10.647 -18.615 -2.551 1.00 0.00 N ATOM 31 CA GLY A 4 -9.887 -19.845 -2.674 1.00 0.00 C ATOM 32 C GLY A 4 -9.093 -19.910 -3.964 1.00 0.00 C ATOM 33 O GLY A 4 -9.302 -20.802 -4.785 1.00 0.00 O ATOM 0 H GLY A 4 -11.004 -18.243 -3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.206 -19.934 -1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.568 -20.695 -2.627 1.00 0.00 H new ATOM 37 N SER A 5 -8.180 -18.960 -4.144 1.00 0.00 N ATOM 38 CA SER A 5 -7.356 -18.910 -5.345 1.00 0.00 C ATOM 39 C SER A 5 -5.888 -18.698 -4.988 1.00 0.00 C ATOM 40 O SER A 5 -5.526 -17.698 -4.369 1.00 0.00 O ATOM 41 CB SER A 5 -7.834 -17.790 -6.271 1.00 0.00 C ATOM 42 OG SER A 5 -9.063 -18.129 -6.889 1.00 0.00 O ATOM 0 H SER A 5 -7.993 -18.215 -3.473 1.00 0.00 H new ATOM 0 HA SER A 5 -7.452 -19.865 -5.862 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.952 -16.868 -5.701 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.080 -17.598 -7.035 1.00 0.00 H new ATOM 0 HG SER A 5 -9.348 -17.396 -7.474 1.00 0.00 H new ATOM 48 N SER A 6 -5.046 -19.648 -5.384 1.00 0.00 N ATOM 49 CA SER A 6 -3.617 -19.569 -5.103 1.00 0.00 C ATOM 50 C SER A 6 -3.044 -18.236 -5.574 1.00 0.00 C ATOM 51 O SER A 6 -3.515 -17.656 -6.552 1.00 0.00 O ATOM 52 CB SER A 6 -2.878 -20.723 -5.782 1.00 0.00 C ATOM 53 OG SER A 6 -1.474 -20.561 -5.678 1.00 0.00 O ATOM 0 H SER A 6 -5.329 -20.481 -5.900 1.00 0.00 H new ATOM 0 HA SER A 6 -3.479 -19.643 -4.024 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.173 -21.667 -5.324 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.164 -20.774 -6.832 1.00 0.00 H new ATOM 0 HG SER A 6 -1.025 -21.312 -6.118 1.00 0.00 H new ATOM 59 N GLY A 7 -2.023 -17.756 -4.871 1.00 0.00 N ATOM 60 CA GLY A 7 -1.402 -16.495 -5.231 1.00 0.00 C ATOM 61 C GLY A 7 0.044 -16.412 -4.784 1.00 0.00 C ATOM 62 O GLY A 7 0.538 -17.265 -4.046 1.00 0.00 O ATOM 0 H GLY A 7 -1.615 -18.218 -4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.453 -16.364 -6.312 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.965 -15.676 -4.784 1.00 0.00 H new ATOM 66 N PRO A 8 0.749 -15.365 -5.238 1.00 0.00 N ATOM 67 CA PRO A 8 2.158 -15.151 -4.894 1.00 0.00 C ATOM 68 C PRO A 8 2.345 -14.767 -3.430 1.00 0.00 C ATOM 69 O PRO A 8 1.389 -14.400 -2.748 1.00 0.00 O ATOM 70 CB PRO A 8 2.574 -13.995 -5.807 1.00 0.00 C ATOM 71 CG PRO A 8 1.307 -13.266 -6.097 1.00 0.00 C ATOM 72 CD PRO A 8 0.225 -14.310 -6.122 1.00 0.00 C ATOM 0 HA PRO A 8 2.753 -16.054 -5.029 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.301 -13.346 -5.318 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.039 -14.361 -6.723 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.106 -12.514 -5.334 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.367 -12.743 -7.052 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.723 -13.915 -5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.049 -14.682 -7.131 1.00 0.00 H new ATOM 80 N SER A 9 3.583 -14.854 -2.954 1.00 0.00 N ATOM 81 CA SER A 9 3.895 -14.519 -1.569 1.00 0.00 C ATOM 82 C SER A 9 3.486 -13.083 -1.253 1.00 0.00 C ATOM 83 O SER A 9 3.062 -12.336 -2.135 1.00 0.00 O ATOM 84 CB SER A 9 5.389 -14.707 -1.301 1.00 0.00 C ATOM 85 OG SER A 9 5.801 -13.964 -0.166 1.00 0.00 O ATOM 0 H SER A 9 4.386 -15.154 -3.507 1.00 0.00 H new ATOM 0 HA SER A 9 3.330 -15.190 -0.922 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.603 -15.764 -1.145 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.961 -14.391 -2.174 1.00 0.00 H new ATOM 0 HG SER A 9 6.759 -14.102 -0.015 1.00 0.00 H new ATOM 91 N THR A 10 3.616 -12.704 0.015 1.00 0.00 N ATOM 92 CA THR A 10 3.260 -11.359 0.450 1.00 0.00 C ATOM 93 C THR A 10 4.137 -10.907 1.612 1.00 0.00 C ATOM 94 O THR A 10 4.601 -11.724 2.407 1.00 0.00 O ATOM 95 CB THR A 10 1.782 -11.280 0.877 1.00 0.00 C ATOM 96 OG1 THR A 10 1.404 -9.915 1.085 1.00 0.00 O ATOM 97 CG2 THR A 10 1.542 -12.078 2.150 1.00 0.00 C ATOM 0 H THR A 10 3.965 -13.309 0.758 1.00 0.00 H new ATOM 0 HA THR A 10 3.421 -10.698 -0.402 1.00 0.00 H new ATOM 0 HB THR A 10 1.174 -11.707 0.080 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.624 -9.704 0.531 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.491 -12.007 2.431 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.802 -13.123 1.979 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.161 -11.677 2.953 1.00 0.00 H new ATOM 105 N VAL A 11 4.360 -9.600 1.705 1.00 0.00 N ATOM 106 CA VAL A 11 5.181 -9.038 2.771 1.00 0.00 C ATOM 107 C VAL A 11 4.565 -9.310 4.139 1.00 0.00 C ATOM 108 O VAL A 11 3.371 -9.108 4.362 1.00 0.00 O ATOM 109 CB VAL A 11 5.366 -7.519 2.596 1.00 0.00 C ATOM 110 CG1 VAL A 11 6.331 -6.976 3.639 1.00 0.00 C ATOM 111 CG2 VAL A 11 5.852 -7.201 1.190 1.00 0.00 C ATOM 0 H VAL A 11 3.983 -8.910 1.055 1.00 0.00 H new ATOM 0 HA VAL A 11 6.155 -9.524 2.711 1.00 0.00 H new ATOM 0 HB VAL A 11 4.401 -7.033 2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.450 -5.901 3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.937 -7.172 4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.299 -7.465 3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.977 -6.124 1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.807 -7.697 1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.120 -7.555 0.463 1.00 0.00 H new ATOM 121 N PRO A 12 5.398 -9.779 5.080 1.00 0.00 N ATOM 122 CA PRO A 12 4.958 -10.088 6.444 1.00 0.00 C ATOM 123 C PRO A 12 4.609 -8.834 7.239 1.00 0.00 C ATOM 124 O PRO A 12 3.584 -8.784 7.919 1.00 0.00 O ATOM 125 CB PRO A 12 6.172 -10.790 7.058 1.00 0.00 C ATOM 126 CG PRO A 12 7.337 -10.279 6.283 1.00 0.00 C ATOM 127 CD PRO A 12 6.833 -10.044 4.886 1.00 0.00 C ATOM 0 HA PRO A 12 4.050 -10.691 6.452 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.269 -10.558 8.118 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.086 -11.874 6.976 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.722 -9.357 6.719 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.155 -11.000 6.287 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.337 -9.201 4.414 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.998 -10.912 4.248 1.00 0.00 H new ATOM 135 N ILE A 13 5.468 -7.823 7.147 1.00 0.00 N ATOM 136 CA ILE A 13 5.249 -6.569 7.857 1.00 0.00 C ATOM 137 C ILE A 13 5.625 -5.374 6.988 1.00 0.00 C ATOM 138 O ILE A 13 6.351 -5.512 6.004 1.00 0.00 O ATOM 139 CB ILE A 13 6.059 -6.513 9.165 1.00 0.00 C ATOM 140 CG1 ILE A 13 5.640 -5.301 9.999 1.00 0.00 C ATOM 141 CG2 ILE A 13 7.550 -6.466 8.864 1.00 0.00 C ATOM 142 CD1 ILE A 13 5.804 -5.506 11.489 1.00 0.00 C ATOM 0 H ILE A 13 6.321 -7.848 6.588 1.00 0.00 H new ATOM 0 HA ILE A 13 4.186 -6.523 8.096 1.00 0.00 H new ATOM 0 HB ILE A 13 5.853 -7.415 9.741 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.230 -4.438 9.692 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.597 -5.066 9.785 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.109 -6.427 9.799 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.837 -7.358 8.307 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.774 -5.580 8.270 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.488 -4.606 12.017 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.192 -6.349 11.810 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.850 -5.710 11.715 1.00 0.00 H new ATOM 154 N MET A 14 5.127 -4.199 7.360 1.00 0.00 N ATOM 155 CA MET A 14 5.413 -2.978 6.616 1.00 0.00 C ATOM 156 C MET A 14 6.313 -2.048 7.423 1.00 0.00 C ATOM 157 O MET A 14 6.222 -1.989 8.650 1.00 0.00 O ATOM 158 CB MET A 14 4.112 -2.259 6.254 1.00 0.00 C ATOM 159 CG MET A 14 3.538 -2.681 4.911 1.00 0.00 C ATOM 160 SD MET A 14 4.159 -1.682 3.545 1.00 0.00 S ATOM 161 CE MET A 14 2.674 -0.803 3.065 1.00 0.00 C ATOM 0 H MET A 14 4.524 -4.067 8.172 1.00 0.00 H new ATOM 0 HA MET A 14 5.934 -3.255 5.699 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.373 -2.449 7.032 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.292 -1.184 6.241 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.780 -3.728 4.730 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.451 -2.607 4.945 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.897 -0.142 2.228 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.908 -1.519 2.768 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.312 -0.213 3.907 1.00 0.00 H new ATOM 171 N HIS A 15 7.184 -1.323 6.727 1.00 0.00 N ATOM 172 CA HIS A 15 8.101 -0.395 7.380 1.00 0.00 C ATOM 173 C HIS A 15 8.043 0.980 6.721 1.00 0.00 C ATOM 174 O HIS A 15 8.233 1.106 5.512 1.00 0.00 O ATOM 175 CB HIS A 15 9.529 -0.938 7.330 1.00 0.00 C ATOM 176 CG HIS A 15 9.723 -2.188 8.132 1.00 0.00 C ATOM 177 ND1 HIS A 15 9.801 -2.195 9.509 1.00 0.00 N ATOM 178 CD2 HIS A 15 9.854 -3.478 7.743 1.00 0.00 C ATOM 179 CE1 HIS A 15 9.973 -3.434 9.932 1.00 0.00 C ATOM 180 NE2 HIS A 15 10.008 -4.232 8.880 1.00 0.00 N ATOM 0 H HIS A 15 7.274 -1.360 5.712 1.00 0.00 H new ATOM 0 HA HIS A 15 7.795 -0.292 8.421 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.797 -1.137 6.292 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.213 -0.172 7.695 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.840 -3.846 6.728 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.069 -3.742 10.963 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.130 -5.244 8.908 1.00 0.00 H new ATOM 189 N GLN A 16 7.779 2.005 7.525 1.00 0.00 N ATOM 190 CA GLN A 16 7.695 3.370 7.019 1.00 0.00 C ATOM 191 C GLN A 16 9.073 4.022 6.982 1.00 0.00 C ATOM 192 O GLN A 16 9.905 3.791 7.860 1.00 0.00 O ATOM 193 CB GLN A 16 6.748 4.200 7.886 1.00 0.00 C ATOM 194 CG GLN A 16 6.987 5.698 7.786 1.00 0.00 C ATOM 195 CD GLN A 16 5.723 6.507 8.001 1.00 0.00 C ATOM 196 OE1 GLN A 16 5.193 6.569 9.111 1.00 0.00 O ATOM 197 NE2 GLN A 16 5.232 7.132 6.938 1.00 0.00 N ATOM 0 H GLN A 16 7.620 1.916 8.529 1.00 0.00 H new ATOM 0 HA GLN A 16 7.304 3.331 6.002 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.720 3.984 7.595 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.857 3.892 8.926 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.732 5.993 8.524 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.400 5.931 6.805 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.704 7.053 6.037 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.383 7.691 7.022 1.00 0.00 H new ATOM 206 N VAL A 17 9.309 4.838 5.959 1.00 0.00 N ATOM 207 CA VAL A 17 10.586 5.525 5.808 1.00 0.00 C ATOM 208 C VAL A 17 10.447 7.014 6.103 1.00 0.00 C ATOM 209 O VAL A 17 11.310 7.613 6.745 1.00 0.00 O ATOM 210 CB VAL A 17 11.155 5.345 4.388 1.00 0.00 C ATOM 211 CG1 VAL A 17 12.491 6.060 4.253 1.00 0.00 C ATOM 212 CG2 VAL A 17 11.296 3.868 4.054 1.00 0.00 C ATOM 0 H VAL A 17 8.632 5.039 5.223 1.00 0.00 H new ATOM 0 HA VAL A 17 11.273 5.078 6.526 1.00 0.00 H new ATOM 0 HB VAL A 17 10.458 5.790 3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 17 12.877 5.922 3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.355 7.124 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.199 5.647 4.972 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.699 3.760 3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.971 3.396 4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.319 3.388 4.107 1.00 0.00 H new ATOM 222 N SER A 18 9.355 7.606 5.630 1.00 0.00 N ATOM 223 CA SER A 18 9.104 9.028 5.841 1.00 0.00 C ATOM 224 C SER A 18 7.647 9.371 5.547 1.00 0.00 C ATOM 225 O SER A 18 6.857 8.505 5.172 1.00 0.00 O ATOM 226 CB SER A 18 10.027 9.867 4.954 1.00 0.00 C ATOM 227 OG SER A 18 11.363 9.824 5.424 1.00 0.00 O ATOM 0 H SER A 18 8.630 7.124 5.098 1.00 0.00 H new ATOM 0 HA SER A 18 9.309 9.258 6.887 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.987 9.497 3.929 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.678 10.899 4.934 1.00 0.00 H new ATOM 0 HG SER A 18 11.417 9.233 6.204 1.00 0.00 H new ATOM 233 N ALA A 19 7.299 10.642 5.721 1.00 0.00 N ATOM 234 CA ALA A 19 5.938 11.102 5.474 1.00 0.00 C ATOM 235 C ALA A 19 5.833 12.615 5.631 1.00 0.00 C ATOM 236 O ALA A 19 6.766 13.268 6.101 1.00 0.00 O ATOM 237 CB ALA A 19 4.966 10.403 6.412 1.00 0.00 C ATOM 0 H ALA A 19 7.941 11.371 6.032 1.00 0.00 H new ATOM 0 HA ALA A 19 5.677 10.851 4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.954 10.756 6.216 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.013 9.326 6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.234 10.625 7.445 1.00 0.00 H new ATOM 243 N THR A 20 4.691 13.169 5.235 1.00 0.00 N ATOM 244 CA THR A 20 4.465 14.605 5.330 1.00 0.00 C ATOM 245 C THR A 20 3.049 14.908 5.808 1.00 0.00 C ATOM 246 O THR A 20 2.216 14.010 5.919 1.00 0.00 O ATOM 247 CB THR A 20 4.698 15.302 3.976 1.00 0.00 C ATOM 248 OG1 THR A 20 3.972 16.535 3.929 1.00 0.00 O ATOM 249 CG2 THR A 20 4.262 14.407 2.825 1.00 0.00 C ATOM 0 H THR A 20 3.908 12.644 4.845 1.00 0.00 H new ATOM 0 HA THR A 20 5.181 14.990 6.056 1.00 0.00 H new ATOM 0 HB THR A 20 5.764 15.504 3.875 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.127 16.973 3.066 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.436 14.920 1.879 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.836 13.481 2.846 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.201 14.178 2.924 1.00 0.00 H new ATOM 257 N MET A 21 2.784 16.180 6.089 1.00 0.00 N ATOM 258 CA MET A 21 1.467 16.601 6.553 1.00 0.00 C ATOM 259 C MET A 21 0.449 16.552 5.418 1.00 0.00 C ATOM 260 O MET A 21 -0.742 16.781 5.630 1.00 0.00 O ATOM 261 CB MET A 21 1.535 18.016 7.132 1.00 0.00 C ATOM 262 CG MET A 21 2.184 18.079 8.505 1.00 0.00 C ATOM 263 SD MET A 21 2.186 19.745 9.196 1.00 0.00 S ATOM 264 CE MET A 21 0.598 20.349 8.628 1.00 0.00 C ATOM 0 H MET A 21 3.463 16.936 6.004 1.00 0.00 H new ATOM 0 HA MET A 21 1.147 15.911 7.334 1.00 0.00 H new ATOM 0 HB2 MET A 21 2.092 18.654 6.446 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.526 18.422 7.197 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.656 17.409 9.183 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.210 17.718 8.435 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.429 21.352 9.020 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.589 20.379 7.538 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.191 19.684 8.979 1.00 0.00 H new ATOM 274 N ARG A 22 0.926 16.253 4.214 1.00 0.00 N ATOM 275 CA ARG A 22 0.057 16.176 3.046 1.00 0.00 C ATOM 276 C ARG A 22 0.240 14.847 2.319 1.00 0.00 C ATOM 277 O ARG A 22 -0.429 14.576 1.322 1.00 0.00 O ATOM 278 CB ARG A 22 0.347 17.336 2.091 1.00 0.00 C ATOM 279 CG ARG A 22 0.229 18.704 2.742 1.00 0.00 C ATOM 280 CD ARG A 22 0.938 19.773 1.925 1.00 0.00 C ATOM 281 NE ARG A 22 2.391 19.635 1.988 1.00 0.00 N ATOM 282 CZ ARG A 22 3.232 20.392 1.292 1.00 0.00 C ATOM 283 NH1 ARG A 22 2.766 21.336 0.485 1.00 0.00 N ATOM 284 NH2 ARG A 22 4.541 20.207 1.402 1.00 0.00 N ATOM 0 H ARG A 22 1.909 16.060 4.022 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.976 16.245 3.387 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.353 17.221 1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.343 17.283 1.248 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.823 18.966 2.851 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.655 18.669 3.745 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.613 19.711 0.887 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.651 20.759 2.291 1.00 0.00 H new ATOM 0 HE ARG A 22 2.781 18.918 2.600 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.760 21.482 0.398 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.413 21.916 -0.048 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.903 19.482 2.022 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.185 20.789 0.867 1.00 0.00 H new ATOM 298 N SER A 23 1.152 14.022 2.825 1.00 0.00 N ATOM 299 CA SER A 23 1.426 12.723 2.222 1.00 0.00 C ATOM 300 C SER A 23 2.073 11.781 3.232 1.00 0.00 C ATOM 301 O SER A 23 2.313 12.154 4.381 1.00 0.00 O ATOM 302 CB SER A 23 2.337 12.886 1.003 1.00 0.00 C ATOM 303 OG SER A 23 2.151 14.150 0.392 1.00 0.00 O ATOM 0 H SER A 23 1.713 14.230 3.651 1.00 0.00 H new ATOM 0 HA SER A 23 0.478 12.290 1.903 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.378 12.775 1.306 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.129 12.096 0.282 1.00 0.00 H new ATOM 0 HG SER A 23 2.746 14.229 -0.383 1.00 0.00 H new ATOM 309 N ILE A 24 2.352 10.557 2.796 1.00 0.00 N ATOM 310 CA ILE A 24 2.971 9.561 3.661 1.00 0.00 C ATOM 311 C ILE A 24 3.810 8.576 2.853 1.00 0.00 C ATOM 312 O ILE A 24 3.334 7.990 1.880 1.00 0.00 O ATOM 313 CB ILE A 24 1.916 8.780 4.466 1.00 0.00 C ATOM 314 CG1 ILE A 24 0.860 9.735 5.025 1.00 0.00 C ATOM 315 CG2 ILE A 24 2.579 7.998 5.590 1.00 0.00 C ATOM 316 CD1 ILE A 24 -0.263 9.034 5.757 1.00 0.00 C ATOM 0 H ILE A 24 2.159 10.232 1.849 1.00 0.00 H new ATOM 0 HA ILE A 24 3.616 10.102 4.353 1.00 0.00 H new ATOM 0 HB ILE A 24 1.423 8.072 3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.342 10.439 5.704 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.440 10.319 4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.820 7.451 6.150 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.297 7.294 5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.096 8.688 6.258 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.974 9.773 6.126 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.770 8.351 5.076 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.145 8.472 6.597 1.00 0.00 H new ATOM 328 N THR A 25 5.061 8.396 3.264 1.00 0.00 N ATOM 329 CA THR A 25 5.966 7.481 2.579 1.00 0.00 C ATOM 330 C THR A 25 6.116 6.176 3.351 1.00 0.00 C ATOM 331 O THR A 25 6.328 6.181 4.565 1.00 0.00 O ATOM 332 CB THR A 25 7.358 8.111 2.382 1.00 0.00 C ATOM 333 OG1 THR A 25 7.228 9.509 2.099 1.00 0.00 O ATOM 334 CG2 THR A 25 8.106 7.427 1.248 1.00 0.00 C ATOM 0 H THR A 25 5.471 8.872 4.068 1.00 0.00 H new ATOM 0 HA THR A 25 5.527 7.274 1.603 1.00 0.00 H new ATOM 0 HB THR A 25 7.926 7.978 3.303 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.111 9.933 2.135 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.086 7.889 1.128 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.229 6.369 1.480 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.539 7.532 0.323 1.00 0.00 H new ATOM 342 N LEU A 26 6.006 5.058 2.642 1.00 0.00 N ATOM 343 CA LEU A 26 6.131 3.743 3.261 1.00 0.00 C ATOM 344 C LEU A 26 7.046 2.840 2.441 1.00 0.00 C ATOM 345 O LEU A 26 7.414 3.170 1.314 1.00 0.00 O ATOM 346 CB LEU A 26 4.753 3.094 3.407 1.00 0.00 C ATOM 347 CG LEU A 26 3.628 4.009 3.893 1.00 0.00 C ATOM 348 CD1 LEU A 26 2.284 3.526 3.371 1.00 0.00 C ATOM 349 CD2 LEU A 26 3.618 4.081 5.413 1.00 0.00 C ATOM 0 H LEU A 26 5.830 5.036 1.637 1.00 0.00 H new ATOM 0 HA LEU A 26 6.571 3.874 4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.465 2.679 2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.839 2.258 4.101 1.00 0.00 H new ATOM 0 HG LEU A 26 3.807 5.011 3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.496 4.189 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.295 3.528 2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.096 2.514 3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.811 4.736 5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.464 3.083 5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.571 4.475 5.765 1.00 0.00 H new ATOM 361 N SER A 27 7.410 1.697 3.015 1.00 0.00 N ATOM 362 CA SER A 27 8.284 0.746 2.338 1.00 0.00 C ATOM 363 C SER A 27 8.056 -0.669 2.862 1.00 0.00 C ATOM 364 O SER A 27 7.463 -0.861 3.923 1.00 0.00 O ATOM 365 CB SER A 27 9.749 1.143 2.529 1.00 0.00 C ATOM 366 OG SER A 27 10.606 0.314 1.763 1.00 0.00 O ATOM 0 H SER A 27 7.113 1.407 3.947 1.00 0.00 H new ATOM 0 HA SER A 27 8.046 0.764 1.275 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.888 2.184 2.237 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.014 1.070 3.584 1.00 0.00 H new ATOM 0 HG SER A 27 11.536 0.589 1.901 1.00 0.00 H new ATOM 372 N TRP A 28 8.532 -1.654 2.110 1.00 0.00 N ATOM 373 CA TRP A 28 8.381 -3.052 2.497 1.00 0.00 C ATOM 374 C TRP A 28 9.437 -3.921 1.823 1.00 0.00 C ATOM 375 O TRP A 28 9.860 -3.664 0.695 1.00 0.00 O ATOM 376 CB TRP A 28 6.983 -3.555 2.135 1.00 0.00 C ATOM 377 CG TRP A 28 6.622 -3.325 0.699 1.00 0.00 C ATOM 378 CD1 TRP A 28 6.789 -4.199 -0.338 1.00 0.00 C ATOM 379 CD2 TRP A 28 6.036 -2.144 0.140 1.00 0.00 C ATOM 380 NE1 TRP A 28 6.342 -3.632 -1.507 1.00 0.00 N ATOM 381 CE2 TRP A 28 5.875 -2.373 -1.241 1.00 0.00 C ATOM 382 CE3 TRP A 28 5.630 -0.918 0.672 1.00 0.00 C ATOM 383 CZ2 TRP A 28 5.326 -1.418 -2.093 1.00 0.00 C ATOM 384 CZ3 TRP A 28 5.086 0.028 -0.176 1.00 0.00 C ATOM 385 CH2 TRP A 28 4.937 -0.226 -1.545 1.00 0.00 C ATOM 0 H TRP A 28 9.026 -1.511 1.229 1.00 0.00 H new ATOM 0 HA TRP A 28 8.516 -3.120 3.576 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.921 -4.622 2.351 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.250 -3.058 2.770 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.210 -5.190 -0.251 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.356 -4.077 -2.425 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.739 -0.713 1.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.211 -1.611 -3.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.770 0.980 0.224 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.507 0.534 -2.181 1.00 0.00 H new ATOM 396 N PRO A 29 9.875 -4.975 2.527 1.00 0.00 N ATOM 397 CA PRO A 29 10.887 -5.904 2.015 1.00 0.00 C ATOM 398 C PRO A 29 10.360 -6.763 0.871 1.00 0.00 C ATOM 399 O PRO A 29 9.150 -6.902 0.695 1.00 0.00 O ATOM 400 CB PRO A 29 11.217 -6.775 3.230 1.00 0.00 C ATOM 401 CG PRO A 29 9.996 -6.715 4.081 1.00 0.00 C ATOM 402 CD PRO A 29 9.416 -5.343 3.877 1.00 0.00 C ATOM 0 HA PRO A 29 11.749 -5.380 1.603 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.443 -7.799 2.933 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.090 -6.397 3.763 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.282 -7.487 3.794 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.242 -6.883 5.129 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.328 -5.353 3.943 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.774 -4.640 4.629 1.00 0.00 H new ATOM 410 N GLN A 30 11.275 -7.336 0.096 1.00 0.00 N ATOM 411 CA GLN A 30 10.901 -8.182 -1.031 1.00 0.00 C ATOM 412 C GLN A 30 10.731 -9.632 -0.591 1.00 0.00 C ATOM 413 O GLN A 30 11.554 -10.186 0.138 1.00 0.00 O ATOM 414 CB GLN A 30 11.955 -8.092 -2.136 1.00 0.00 C ATOM 415 CG GLN A 30 11.670 -8.996 -3.324 1.00 0.00 C ATOM 416 CD GLN A 30 12.893 -9.223 -4.191 1.00 0.00 C ATOM 417 OE1 GLN A 30 13.842 -8.439 -4.163 1.00 0.00 O ATOM 418 NE2 GLN A 30 12.876 -10.299 -4.969 1.00 0.00 N ATOM 0 H GLN A 30 12.281 -7.230 0.228 1.00 0.00 H new ATOM 0 HA GLN A 30 9.947 -7.825 -1.419 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.019 -7.060 -2.482 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.929 -8.350 -1.720 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.301 -9.956 -2.965 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.877 -8.556 -3.929 1.00 0.00 H new ATOM 0 HE21 GLN A 30 12.068 -10.922 -4.960 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.671 -10.503 -5.575 1.00 0.00 H new ATOM 427 N PRO A 31 9.637 -10.264 -1.043 1.00 0.00 N ATOM 428 CA PRO A 31 9.334 -11.658 -0.709 1.00 0.00 C ATOM 429 C PRO A 31 10.294 -12.637 -1.376 1.00 0.00 C ATOM 430 O PRO A 31 11.036 -12.268 -2.286 1.00 0.00 O ATOM 431 CB PRO A 31 7.914 -11.851 -1.247 1.00 0.00 C ATOM 432 CG PRO A 31 7.783 -10.846 -2.338 1.00 0.00 C ATOM 433 CD PRO A 31 8.613 -9.665 -1.916 1.00 0.00 C ATOM 0 HA PRO A 31 9.430 -11.851 0.360 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.767 -12.864 -1.622 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.170 -11.688 -0.467 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.135 -11.252 -3.286 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.741 -10.559 -2.481 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.060 -9.161 -2.773 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.016 -8.923 -1.385 1.00 0.00 H new ATOM 441 N GLU A 32 10.274 -13.885 -0.918 1.00 0.00 N ATOM 442 CA GLU A 32 11.144 -14.915 -1.471 1.00 0.00 C ATOM 443 C GLU A 32 10.325 -16.036 -2.105 1.00 0.00 C ATOM 444 O GLU A 32 10.871 -16.918 -2.768 1.00 0.00 O ATOM 445 CB GLU A 32 12.053 -15.487 -0.381 1.00 0.00 C ATOM 446 CG GLU A 32 13.147 -14.530 0.063 1.00 0.00 C ATOM 447 CD GLU A 32 14.193 -14.302 -1.011 1.00 0.00 C ATOM 448 OE1 GLU A 32 14.474 -15.249 -1.776 1.00 0.00 O ATOM 449 OE2 GLU A 32 14.730 -13.177 -1.088 1.00 0.00 O ATOM 0 H GLU A 32 9.665 -14.206 -0.166 1.00 0.00 H new ATOM 0 HA GLU A 32 11.761 -14.456 -2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.445 -15.757 0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.512 -16.405 -0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.700 -13.575 0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.630 -14.925 0.957 1.00 0.00 H new ATOM 456 N GLN A 33 9.014 -15.994 -1.896 1.00 0.00 N ATOM 457 CA GLN A 33 8.120 -17.006 -2.446 1.00 0.00 C ATOM 458 C GLN A 33 7.042 -16.366 -3.315 1.00 0.00 C ATOM 459 O GLN A 33 5.850 -16.636 -3.167 1.00 0.00 O ATOM 460 CB GLN A 33 7.471 -17.811 -1.318 1.00 0.00 C ATOM 461 CG GLN A 33 8.425 -18.777 -0.634 1.00 0.00 C ATOM 462 CD GLN A 33 7.714 -19.979 -0.045 1.00 0.00 C ATOM 463 OE1 GLN A 33 6.499 -20.127 -0.184 1.00 0.00 O ATOM 464 NE2 GLN A 33 8.469 -20.847 0.619 1.00 0.00 N ATOM 0 H GLN A 33 8.547 -15.270 -1.350 1.00 0.00 H new ATOM 0 HA GLN A 33 8.712 -17.677 -3.068 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.070 -17.122 -0.575 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.627 -18.371 -1.721 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.170 -19.117 -1.353 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.961 -18.253 0.157 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.472 -20.685 0.710 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.046 -21.675 1.038 1.00 0.00 H new ATOM 473 N PRO A 34 7.468 -15.497 -4.243 1.00 0.00 N ATOM 474 CA PRO A 34 6.555 -14.801 -5.155 1.00 0.00 C ATOM 475 C PRO A 34 5.931 -15.742 -6.180 1.00 0.00 C ATOM 476 O PRO A 34 5.151 -15.317 -7.031 1.00 0.00 O ATOM 477 CB PRO A 34 7.458 -13.778 -5.847 1.00 0.00 C ATOM 478 CG PRO A 34 8.825 -14.364 -5.769 1.00 0.00 C ATOM 479 CD PRO A 34 8.875 -15.128 -4.475 1.00 0.00 C ATOM 0 HA PRO A 34 5.711 -14.357 -4.627 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.154 -13.618 -6.882 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.414 -12.810 -5.348 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.017 -15.021 -6.618 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.586 -13.584 -5.791 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.514 -16.008 -4.552 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.270 -14.518 -3.663 1.00 0.00 H new ATOM 487 N ASN A 35 6.280 -17.021 -6.092 1.00 0.00 N ATOM 488 CA ASN A 35 5.754 -18.022 -7.014 1.00 0.00 C ATOM 489 C ASN A 35 5.918 -17.569 -8.461 1.00 0.00 C ATOM 490 O ASN A 35 5.164 -17.982 -9.341 1.00 0.00 O ATOM 491 CB ASN A 35 4.278 -18.293 -6.716 1.00 0.00 C ATOM 492 CG ASN A 35 4.083 -19.107 -5.452 1.00 0.00 C ATOM 493 OD1 ASN A 35 3.718 -20.282 -5.507 1.00 0.00 O ATOM 494 ND2 ASN A 35 4.326 -18.485 -4.304 1.00 0.00 N ATOM 0 H ASN A 35 6.924 -17.389 -5.392 1.00 0.00 H new ATOM 0 HA ASN A 35 6.321 -18.942 -6.875 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.750 -17.345 -6.619 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.831 -18.822 -7.558 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.212 -18.982 -3.421 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.627 -17.510 -4.306 1.00 0.00 H new ATOM 501 N GLY A 36 6.909 -16.715 -8.700 1.00 0.00 N ATOM 502 CA GLY A 36 7.155 -16.220 -10.042 1.00 0.00 C ATOM 503 C GLY A 36 7.516 -14.748 -10.059 1.00 0.00 C ATOM 504 O GLY A 36 7.230 -14.021 -9.108 1.00 0.00 O ATOM 0 H GLY A 36 7.546 -16.357 -7.988 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.963 -16.794 -10.496 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.267 -16.380 -10.654 1.00 0.00 H new ATOM 508 N ILE A 37 8.148 -14.309 -11.142 1.00 0.00 N ATOM 509 CA ILE A 37 8.550 -12.914 -11.279 1.00 0.00 C ATOM 510 C ILE A 37 7.483 -11.978 -10.722 1.00 0.00 C ATOM 511 O ILE A 37 6.286 -12.234 -10.857 1.00 0.00 O ATOM 512 CB ILE A 37 8.821 -12.548 -12.750 1.00 0.00 C ATOM 513 CG1 ILE A 37 10.041 -13.309 -13.272 1.00 0.00 C ATOM 514 CG2 ILE A 37 9.024 -11.047 -12.893 1.00 0.00 C ATOM 515 CD1 ILE A 37 11.232 -13.252 -12.340 1.00 0.00 C ATOM 0 H ILE A 37 8.393 -14.899 -11.937 1.00 0.00 H new ATOM 0 HA ILE A 37 9.470 -12.793 -10.708 1.00 0.00 H new ATOM 0 HB ILE A 37 7.955 -12.836 -13.346 1.00 0.00 H new ATOM 0 HG12 ILE A 37 9.767 -14.351 -13.435 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.328 -12.900 -14.241 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.215 -10.804 -13.938 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.128 -10.525 -12.556 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.875 -10.736 -12.287 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.060 -13.813 -12.773 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.532 -12.214 -12.196 1.00 0.00 H new ATOM 0 HD13 ILE A 37 10.963 -13.688 -11.378 1.00 0.00 H new ATOM 527 N ILE A 38 7.925 -10.892 -10.097 1.00 0.00 N ATOM 528 CA ILE A 38 7.008 -9.916 -9.522 1.00 0.00 C ATOM 529 C ILE A 38 6.812 -8.728 -10.457 1.00 0.00 C ATOM 530 O ILE A 38 7.701 -7.889 -10.608 1.00 0.00 O ATOM 531 CB ILE A 38 7.512 -9.404 -8.159 1.00 0.00 C ATOM 532 CG1 ILE A 38 7.504 -10.536 -7.130 1.00 0.00 C ATOM 533 CG2 ILE A 38 6.656 -8.240 -7.681 1.00 0.00 C ATOM 534 CD1 ILE A 38 8.326 -10.237 -5.896 1.00 0.00 C ATOM 0 H ILE A 38 8.912 -10.666 -9.976 1.00 0.00 H new ATOM 0 HA ILE A 38 6.055 -10.425 -9.380 1.00 0.00 H new ATOM 0 HB ILE A 38 8.537 -9.052 -8.276 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.475 -10.737 -6.831 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.883 -11.444 -7.598 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.024 -7.889 -6.717 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.708 -7.428 -8.406 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.622 -8.568 -7.577 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.274 -11.083 -5.211 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.363 -10.065 -6.183 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.933 -9.347 -5.404 1.00 0.00 H new ATOM 546 N LEU A 39 5.642 -8.661 -11.083 1.00 0.00 N ATOM 547 CA LEU A 39 5.327 -7.574 -12.003 1.00 0.00 C ATOM 548 C LEU A 39 5.427 -6.222 -11.304 1.00 0.00 C ATOM 549 O LEU A 39 6.240 -5.377 -11.679 1.00 0.00 O ATOM 550 CB LEU A 39 3.923 -7.759 -12.581 1.00 0.00 C ATOM 551 CG LEU A 39 3.648 -9.101 -13.261 1.00 0.00 C ATOM 552 CD1 LEU A 39 2.152 -9.342 -13.383 1.00 0.00 C ATOM 553 CD2 LEU A 39 4.312 -9.152 -14.630 1.00 0.00 C ATOM 0 H LEU A 39 4.896 -9.347 -10.970 1.00 0.00 H new ATOM 0 HA LEU A 39 6.054 -7.597 -12.815 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.200 -7.628 -11.776 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.742 -6.964 -13.305 1.00 0.00 H new ATOM 0 HG LEU A 39 4.073 -9.892 -12.644 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.977 -10.302 -13.869 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.703 -9.351 -12.390 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.703 -8.547 -13.977 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.106 -10.114 -15.099 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.918 -8.351 -15.256 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.389 -9.027 -14.517 1.00 0.00 H new ATOM 565 N ASP A 40 4.597 -6.026 -10.286 1.00 0.00 N ATOM 566 CA ASP A 40 4.594 -4.778 -9.531 1.00 0.00 C ATOM 567 C ASP A 40 3.904 -4.960 -8.183 1.00 0.00 C ATOM 568 O ASP A 40 3.456 -6.056 -7.846 1.00 0.00 O ATOM 569 CB ASP A 40 3.899 -3.676 -10.331 1.00 0.00 C ATOM 570 CG ASP A 40 2.803 -4.216 -11.229 1.00 0.00 C ATOM 571 OD1 ASP A 40 3.130 -4.733 -12.318 1.00 0.00 O ATOM 572 OD2 ASP A 40 1.620 -4.121 -10.844 1.00 0.00 O ATOM 0 H ASP A 40 3.917 -6.715 -9.964 1.00 0.00 H new ATOM 0 HA ASP A 40 5.629 -4.487 -9.351 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.474 -2.945 -9.643 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.637 -3.151 -10.938 1.00 0.00 H new ATOM 577 N TYR A 41 3.822 -3.878 -7.416 1.00 0.00 N ATOM 578 CA TYR A 41 3.189 -3.919 -6.103 1.00 0.00 C ATOM 579 C TYR A 41 1.992 -2.975 -6.046 1.00 0.00 C ATOM 580 O TYR A 41 2.086 -1.812 -6.437 1.00 0.00 O ATOM 581 CB TYR A 41 4.198 -3.547 -5.015 1.00 0.00 C ATOM 582 CG TYR A 41 5.419 -4.439 -4.991 1.00 0.00 C ATOM 583 CD1 TYR A 41 5.428 -5.618 -4.255 1.00 0.00 C ATOM 584 CD2 TYR A 41 6.563 -4.104 -5.705 1.00 0.00 C ATOM 585 CE1 TYR A 41 6.541 -6.436 -4.230 1.00 0.00 C ATOM 586 CE2 TYR A 41 7.680 -4.916 -5.687 1.00 0.00 C ATOM 587 CZ TYR A 41 7.664 -6.081 -4.948 1.00 0.00 C ATOM 588 OH TYR A 41 8.775 -6.893 -4.926 1.00 0.00 O ATOM 0 H TYR A 41 4.186 -2.963 -7.681 1.00 0.00 H new ATOM 0 HA TYR A 41 2.836 -4.936 -5.930 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.515 -2.515 -5.163 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.706 -3.593 -4.044 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.550 -5.899 -3.693 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.579 -3.193 -6.284 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.532 -7.348 -3.652 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.561 -4.641 -6.248 1.00 0.00 H new ATOM 0 HH TYR A 41 9.536 -6.396 -4.561 1.00 0.00 H new ATOM 598 N GLU A 42 0.867 -3.485 -5.555 1.00 0.00 N ATOM 599 CA GLU A 42 -0.349 -2.688 -5.446 1.00 0.00 C ATOM 600 C GLU A 42 -0.508 -2.127 -4.036 1.00 0.00 C ATOM 601 O GLU A 42 -0.330 -2.841 -3.049 1.00 0.00 O ATOM 602 CB GLU A 42 -1.573 -3.531 -5.813 1.00 0.00 C ATOM 603 CG GLU A 42 -2.891 -2.793 -5.651 1.00 0.00 C ATOM 604 CD GLU A 42 -3.243 -1.955 -6.865 1.00 0.00 C ATOM 605 OE1 GLU A 42 -2.615 -0.892 -7.055 1.00 0.00 O ATOM 606 OE2 GLU A 42 -4.146 -2.363 -7.625 1.00 0.00 O ATOM 0 H GLU A 42 0.772 -4.446 -5.227 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.269 -1.854 -6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.478 -3.864 -6.846 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.588 -4.425 -5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.687 -3.515 -5.469 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.837 -2.149 -4.773 1.00 0.00 H new ATOM 613 N ILE A 43 -0.844 -0.844 -3.950 1.00 0.00 N ATOM 614 CA ILE A 43 -1.027 -0.188 -2.662 1.00 0.00 C ATOM 615 C ILE A 43 -2.409 0.448 -2.561 1.00 0.00 C ATOM 616 O ILE A 43 -2.780 1.287 -3.382 1.00 0.00 O ATOM 617 CB ILE A 43 0.042 0.895 -2.425 1.00 0.00 C ATOM 618 CG1 ILE A 43 1.418 0.252 -2.237 1.00 0.00 C ATOM 619 CG2 ILE A 43 -0.321 1.742 -1.215 1.00 0.00 C ATOM 620 CD1 ILE A 43 2.181 0.069 -3.530 1.00 0.00 C ATOM 0 H ILE A 43 -0.995 -0.239 -4.757 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.927 -0.959 -1.898 1.00 0.00 H new ATOM 0 HB ILE A 43 0.081 1.544 -3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.009 0.869 -1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.294 -0.719 -1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.444 2.503 -1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.284 2.225 -1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.384 1.106 -0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.146 -0.392 -3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.611 -0.573 -4.201 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.337 1.040 -4.001 1.00 0.00 H new ATOM 632 N ARG A 44 -3.168 0.044 -1.547 1.00 0.00 N ATOM 633 CA ARG A 44 -4.509 0.575 -1.337 1.00 0.00 C ATOM 634 C ARG A 44 -4.561 1.442 -0.083 1.00 0.00 C ATOM 635 O ARG A 44 -4.343 0.959 1.028 1.00 0.00 O ATOM 636 CB ARG A 44 -5.520 -0.567 -1.223 1.00 0.00 C ATOM 637 CG ARG A 44 -6.966 -0.100 -1.189 1.00 0.00 C ATOM 638 CD ARG A 44 -7.901 -1.138 -1.789 1.00 0.00 C ATOM 639 NE ARG A 44 -7.586 -2.488 -1.332 1.00 0.00 N ATOM 640 CZ ARG A 44 -8.026 -2.998 -0.186 1.00 0.00 C ATOM 641 NH1 ARG A 44 -8.796 -2.273 0.613 1.00 0.00 N ATOM 642 NH2 ARG A 44 -7.695 -4.235 0.161 1.00 0.00 N ATOM 0 H ARG A 44 -2.876 -0.650 -0.858 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.766 1.195 -2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.386 -1.245 -2.066 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.310 -1.138 -0.318 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.260 0.104 -0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.060 0.837 -1.738 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.930 -0.896 -1.523 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.836 -1.099 -2.876 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.996 -3.072 -1.924 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.052 -1.322 0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.132 -2.666 1.492 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.103 -4.795 -0.452 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.033 -4.626 1.041 1.00 0.00 H new ATOM 656 N TYR A 45 -4.851 2.725 -0.269 1.00 0.00 N ATOM 657 CA TYR A 45 -4.929 3.661 0.847 1.00 0.00 C ATOM 658 C TYR A 45 -6.302 4.323 0.908 1.00 0.00 C ATOM 659 O TYR A 45 -6.778 4.884 -0.079 1.00 0.00 O ATOM 660 CB TYR A 45 -3.841 4.728 0.721 1.00 0.00 C ATOM 661 CG TYR A 45 -3.986 5.600 -0.506 1.00 0.00 C ATOM 662 CD1 TYR A 45 -3.601 5.138 -1.759 1.00 0.00 C ATOM 663 CD2 TYR A 45 -4.507 6.884 -0.413 1.00 0.00 C ATOM 664 CE1 TYR A 45 -3.731 5.931 -2.883 1.00 0.00 C ATOM 665 CE2 TYR A 45 -4.643 7.683 -1.532 1.00 0.00 C ATOM 666 CZ TYR A 45 -4.253 7.202 -2.764 1.00 0.00 C ATOM 667 OH TYR A 45 -4.385 7.996 -3.881 1.00 0.00 O ATOM 0 H TYR A 45 -5.036 3.141 -1.182 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.775 3.101 1.769 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.859 5.360 1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.867 4.240 0.696 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.193 4.143 -1.856 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.811 7.265 0.551 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.426 5.558 -3.849 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.052 8.678 -1.442 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.770 8.860 -3.625 1.00 0.00 H new ATOM 677 N TYR A 46 -6.933 4.254 2.075 1.00 0.00 N ATOM 678 CA TYR A 46 -8.252 4.844 2.266 1.00 0.00 C ATOM 679 C TYR A 46 -8.510 5.134 3.742 1.00 0.00 C ATOM 680 O TYR A 46 -8.096 4.374 4.616 1.00 0.00 O ATOM 681 CB TYR A 46 -9.335 3.912 1.721 1.00 0.00 C ATOM 682 CG TYR A 46 -9.432 2.598 2.463 1.00 0.00 C ATOM 683 CD1 TYR A 46 -10.123 2.505 3.664 1.00 0.00 C ATOM 684 CD2 TYR A 46 -8.834 1.449 1.961 1.00 0.00 C ATOM 685 CE1 TYR A 46 -10.213 1.306 4.346 1.00 0.00 C ATOM 686 CE2 TYR A 46 -8.920 0.246 2.634 1.00 0.00 C ATOM 687 CZ TYR A 46 -9.611 0.180 3.826 1.00 0.00 C ATOM 688 OH TYR A 46 -9.700 -1.016 4.501 1.00 0.00 O ATOM 0 H TYR A 46 -6.552 3.795 2.903 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.284 5.786 1.718 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.298 4.420 1.771 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.134 3.712 0.669 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.598 3.385 4.072 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.292 1.497 1.028 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.752 1.252 5.281 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.449 -0.638 2.229 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.223 -1.710 4.000 1.00 0.00 H new ATOM 698 N GLU A 47 -9.198 6.240 4.009 1.00 0.00 N ATOM 699 CA GLU A 47 -9.512 6.631 5.378 1.00 0.00 C ATOM 700 C GLU A 47 -9.805 5.407 6.240 1.00 0.00 C ATOM 701 O GLU A 47 -10.695 4.614 5.932 1.00 0.00 O ATOM 702 CB GLU A 47 -10.711 7.582 5.399 1.00 0.00 C ATOM 703 CG GLU A 47 -10.373 8.997 4.963 1.00 0.00 C ATOM 704 CD GLU A 47 -9.943 9.877 6.121 1.00 0.00 C ATOM 705 OE1 GLU A 47 -8.855 9.631 6.682 1.00 0.00 O ATOM 706 OE2 GLU A 47 -10.695 10.813 6.465 1.00 0.00 O ATOM 0 H GLU A 47 -9.548 6.880 3.296 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.643 7.144 5.790 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.489 7.186 4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.124 7.610 6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.575 8.964 4.221 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.242 9.441 4.477 1.00 0.00 H new ATOM 713 N LYS A 48 -9.049 5.258 7.323 1.00 0.00 N ATOM 714 CA LYS A 48 -9.227 4.132 8.232 1.00 0.00 C ATOM 715 C LYS A 48 -10.705 3.896 8.525 1.00 0.00 C ATOM 716 O LYS A 48 -11.108 2.788 8.876 1.00 0.00 O ATOM 717 CB LYS A 48 -8.470 4.380 9.539 1.00 0.00 C ATOM 718 CG LYS A 48 -9.317 5.031 10.618 1.00 0.00 C ATOM 719 CD LYS A 48 -8.542 5.189 11.916 1.00 0.00 C ATOM 720 CE LYS A 48 -8.124 3.841 12.483 1.00 0.00 C ATOM 721 NZ LYS A 48 -7.724 3.941 13.914 1.00 0.00 N ATOM 0 H LYS A 48 -8.307 5.904 7.592 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.824 3.241 7.749 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.087 3.431 9.913 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.607 5.014 9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.657 6.008 10.275 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.208 4.428 10.796 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.657 5.801 11.741 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.156 5.717 12.646 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.948 3.134 12.385 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.293 3.444 11.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.446 3.002 14.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.921 4.596 14.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.525 4.296 14.474 1.00 0.00 H new ATOM 735 N GLU A 49 -11.507 4.946 8.378 1.00 0.00 N ATOM 736 CA GLU A 49 -12.941 4.852 8.627 1.00 0.00 C ATOM 737 C GLU A 49 -13.674 4.331 7.394 1.00 0.00 C ATOM 738 O GLU A 49 -14.601 3.527 7.502 1.00 0.00 O ATOM 739 CB GLU A 49 -13.502 6.217 9.029 1.00 0.00 C ATOM 740 CG GLU A 49 -12.930 6.752 10.331 1.00 0.00 C ATOM 741 CD GLU A 49 -13.682 7.963 10.845 1.00 0.00 C ATOM 742 OE1 GLU A 49 -13.930 8.890 10.046 1.00 0.00 O ATOM 743 OE2 GLU A 49 -14.022 7.985 12.046 1.00 0.00 O ATOM 0 H GLU A 49 -11.189 5.871 8.088 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.097 4.149 9.445 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.299 6.932 8.232 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.585 6.142 9.122 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.957 5.966 11.085 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.883 7.016 10.182 1.00 0.00 H new ATOM 750 N HIS A 50 -13.253 4.796 6.222 1.00 0.00 N ATOM 751 CA HIS A 50 -13.869 4.377 4.968 1.00 0.00 C ATOM 752 C HIS A 50 -13.598 2.901 4.695 1.00 0.00 C ATOM 753 O HIS A 50 -12.789 2.273 5.376 1.00 0.00 O ATOM 754 CB HIS A 50 -13.344 5.226 3.809 1.00 0.00 C ATOM 755 CG HIS A 50 -13.675 6.681 3.935 1.00 0.00 C ATOM 756 ND1 HIS A 50 -13.476 7.589 2.916 1.00 0.00 N ATOM 757 CD2 HIS A 50 -14.198 7.385 4.967 1.00 0.00 C ATOM 758 CE1 HIS A 50 -13.859 8.788 3.317 1.00 0.00 C ATOM 759 NE2 HIS A 50 -14.302 8.691 4.558 1.00 0.00 N ATOM 0 H HIS A 50 -12.488 5.463 6.115 1.00 0.00 H new ATOM 0 HA HIS A 50 -14.946 4.520 5.056 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.262 5.112 3.747 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.758 4.847 2.875 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.481 6.992 5.932 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.817 9.694 2.730 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -14.663 9.462 5.121 1.00 0.00 H new ATOM 768 N ASN A 51 -14.281 2.354 3.695 1.00 0.00 N ATOM 769 CA ASN A 51 -14.115 0.950 3.334 1.00 0.00 C ATOM 770 C ASN A 51 -13.534 0.815 1.930 1.00 0.00 C ATOM 771 O ASN A 51 -13.235 1.812 1.273 1.00 0.00 O ATOM 772 CB ASN A 51 -15.457 0.219 3.415 1.00 0.00 C ATOM 773 CG ASN A 51 -15.989 0.143 4.834 1.00 0.00 C ATOM 774 OD1 ASN A 51 -15.284 0.463 5.791 1.00 0.00 O ATOM 775 ND2 ASN A 51 -17.239 -0.283 4.974 1.00 0.00 N ATOM 0 H ASN A 51 -14.954 2.861 3.120 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.419 0.498 4.041 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.184 0.729 2.784 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -15.343 -0.790 3.018 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -17.652 -0.356 5.904 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -17.786 -0.537 4.152 1.00 0.00 H new ATOM 782 N GLU A 52 -13.378 -0.425 1.477 1.00 0.00 N ATOM 783 CA GLU A 52 -12.832 -0.690 0.151 1.00 0.00 C ATOM 784 C GLU A 52 -13.665 -0.002 -0.927 1.00 0.00 C ATOM 785 O GLU A 52 -13.167 0.303 -2.011 1.00 0.00 O ATOM 786 CB GLU A 52 -12.780 -2.196 -0.112 1.00 0.00 C ATOM 787 CG GLU A 52 -11.934 -2.960 0.893 1.00 0.00 C ATOM 788 CD GLU A 52 -12.725 -3.392 2.113 1.00 0.00 C ATOM 789 OE1 GLU A 52 -13.688 -4.170 1.950 1.00 0.00 O ATOM 790 OE2 GLU A 52 -12.382 -2.951 3.229 1.00 0.00 O ATOM 0 H GLU A 52 -13.622 -1.261 2.008 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.820 -0.288 0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.795 -2.594 -0.098 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.384 -2.368 -1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.509 -3.840 0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.099 -2.335 1.209 1.00 0.00 H new ATOM 797 N PHE A 53 -14.936 0.237 -0.622 1.00 0.00 N ATOM 798 CA PHE A 53 -15.839 0.887 -1.564 1.00 0.00 C ATOM 799 C PHE A 53 -15.306 2.257 -1.973 1.00 0.00 C ATOM 800 O PHE A 53 -15.175 2.556 -3.159 1.00 0.00 O ATOM 801 CB PHE A 53 -17.233 1.032 -0.950 1.00 0.00 C ATOM 802 CG PHE A 53 -17.871 -0.281 -0.596 1.00 0.00 C ATOM 803 CD1 PHE A 53 -18.400 -1.098 -1.582 1.00 0.00 C ATOM 804 CD2 PHE A 53 -17.943 -0.698 0.724 1.00 0.00 C ATOM 805 CE1 PHE A 53 -18.988 -2.307 -1.260 1.00 0.00 C ATOM 806 CE2 PHE A 53 -18.529 -1.906 1.052 1.00 0.00 C ATOM 807 CZ PHE A 53 -19.053 -2.711 0.059 1.00 0.00 C ATOM 0 H PHE A 53 -15.364 -0.010 0.270 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.905 0.262 -2.455 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -17.164 1.647 -0.053 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -17.877 1.563 -1.651 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -18.352 -0.786 -2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -17.537 -0.072 1.505 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -19.396 -2.935 -2.039 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -18.577 -2.220 2.084 1.00 0.00 H new ATOM 0 HZ PHE A 53 -19.513 -3.655 0.314 1.00 0.00 H new ATOM 817 N ASN A 54 -15.001 3.087 -0.980 1.00 0.00 N ATOM 818 CA ASN A 54 -14.484 4.426 -1.235 1.00 0.00 C ATOM 819 C ASN A 54 -12.984 4.491 -0.958 1.00 0.00 C ATOM 820 O ASN A 54 -12.522 5.323 -0.177 1.00 0.00 O ATOM 821 CB ASN A 54 -15.218 5.452 -0.370 1.00 0.00 C ATOM 822 CG ASN A 54 -15.174 6.847 -0.964 1.00 0.00 C ATOM 823 OD1 ASN A 54 -14.232 7.604 -0.727 1.00 0.00 O ATOM 824 ND2 ASN A 54 -16.195 7.192 -1.740 1.00 0.00 N ATOM 0 H ASN A 54 -15.103 2.855 0.008 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.653 4.660 -2.286 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -16.257 5.144 -0.249 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.773 5.469 0.625 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -16.220 8.118 -2.168 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -16.954 6.531 -1.908 1.00 0.00 H new ATOM 831 N SER A 55 -12.230 3.609 -1.606 1.00 0.00 N ATOM 832 CA SER A 55 -10.783 3.564 -1.428 1.00 0.00 C ATOM 833 C SER A 55 -10.066 3.730 -2.764 1.00 0.00 C ATOM 834 O SER A 55 -10.665 3.564 -3.827 1.00 0.00 O ATOM 835 CB SER A 55 -10.369 2.244 -0.775 1.00 0.00 C ATOM 836 OG SER A 55 -10.842 1.136 -1.520 1.00 0.00 O ATOM 0 H SER A 55 -12.597 2.916 -2.259 1.00 0.00 H new ATOM 0 HA SER A 55 -10.496 4.389 -0.776 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.283 2.198 -0.698 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.762 2.198 0.240 1.00 0.00 H new ATOM 0 HG SER A 55 -11.792 1.262 -1.727 1.00 0.00 H new ATOM 842 N SER A 56 -8.780 4.059 -2.702 1.00 0.00 N ATOM 843 CA SER A 56 -7.981 4.252 -3.906 1.00 0.00 C ATOM 844 C SER A 56 -6.890 3.190 -4.010 1.00 0.00 C ATOM 845 O SER A 56 -6.524 2.561 -3.017 1.00 0.00 O ATOM 846 CB SER A 56 -7.352 5.647 -3.908 1.00 0.00 C ATOM 847 OG SER A 56 -8.208 6.591 -4.528 1.00 0.00 O ATOM 0 H SER A 56 -8.269 4.198 -1.830 1.00 0.00 H new ATOM 0 HA SER A 56 -8.640 4.157 -4.769 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.144 5.957 -2.884 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.397 5.618 -4.432 1.00 0.00 H new ATOM 0 HG SER A 56 -7.784 7.475 -4.515 1.00 0.00 H new ATOM 853 N MET A 57 -6.376 2.995 -5.220 1.00 0.00 N ATOM 854 CA MET A 57 -5.326 2.011 -5.454 1.00 0.00 C ATOM 855 C MET A 57 -4.209 2.600 -6.310 1.00 0.00 C ATOM 856 O MET A 57 -4.468 3.309 -7.282 1.00 0.00 O ATOM 857 CB MET A 57 -5.905 0.769 -6.135 1.00 0.00 C ATOM 858 CG MET A 57 -6.839 -0.033 -5.243 1.00 0.00 C ATOM 859 SD MET A 57 -7.192 -1.673 -5.904 1.00 0.00 S ATOM 860 CE MET A 57 -6.369 -2.709 -4.696 1.00 0.00 C ATOM 0 H MET A 57 -6.669 3.505 -6.053 1.00 0.00 H new ATOM 0 HA MET A 57 -4.908 1.726 -4.489 1.00 0.00 H new ATOM 0 HB2 MET A 57 -6.445 1.074 -7.031 1.00 0.00 H new ATOM 0 HB3 MET A 57 -5.086 0.127 -6.460 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.393 -0.133 -4.253 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.774 0.513 -5.118 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.888 -3.546 -5.202 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.617 -2.124 -4.167 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.101 -3.088 -3.983 1.00 0.00 H new ATOM 870 N ALA A 58 -2.968 2.301 -5.943 1.00 0.00 N ATOM 871 CA ALA A 58 -1.812 2.800 -6.678 1.00 0.00 C ATOM 872 C ALA A 58 -0.723 1.737 -6.776 1.00 0.00 C ATOM 873 O ALA A 58 -0.309 1.165 -5.767 1.00 0.00 O ATOM 874 CB ALA A 58 -1.268 4.057 -6.016 1.00 0.00 C ATOM 0 H ALA A 58 -2.737 1.715 -5.141 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.134 3.046 -7.690 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.405 4.419 -6.575 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.041 4.826 -6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.968 3.829 -4.993 1.00 0.00 H new ATOM 880 N ARG A 59 -0.264 1.477 -7.995 1.00 0.00 N ATOM 881 CA ARG A 59 0.776 0.481 -8.224 1.00 0.00 C ATOM 882 C ARG A 59 2.162 1.113 -8.137 1.00 0.00 C ATOM 883 O ARG A 59 2.335 2.297 -8.426 1.00 0.00 O ATOM 884 CB ARG A 59 0.589 -0.177 -9.593 1.00 0.00 C ATOM 885 CG ARG A 59 -0.416 -1.318 -9.587 1.00 0.00 C ATOM 886 CD ARG A 59 -1.830 -0.815 -9.833 1.00 0.00 C ATOM 887 NE ARG A 59 -2.055 -0.476 -11.236 1.00 0.00 N ATOM 888 CZ ARG A 59 -3.194 0.027 -11.697 1.00 0.00 C ATOM 889 NH1 ARG A 59 -4.207 0.249 -10.871 1.00 0.00 N ATOM 890 NH2 ARG A 59 -3.322 0.310 -12.987 1.00 0.00 N ATOM 0 H ARG A 59 -0.596 1.942 -8.840 1.00 0.00 H new ATOM 0 HA ARG A 59 0.693 -0.280 -7.448 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.264 0.578 -10.309 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.551 -0.553 -9.941 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.148 -2.044 -10.354 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.374 -1.836 -8.629 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.545 -1.578 -9.526 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.015 0.063 -9.214 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.295 -0.634 -11.898 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.112 0.033 -9.879 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.081 0.636 -11.228 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.545 0.141 -13.626 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.198 0.696 -13.340 1.00 0.00 H new ATOM 904 N SER A 60 3.146 0.314 -7.737 1.00 0.00 N ATOM 905 CA SER A 60 4.517 0.796 -7.607 1.00 0.00 C ATOM 906 C SER A 60 5.501 -0.195 -8.220 1.00 0.00 C ATOM 907 O SER A 60 5.469 -1.387 -7.913 1.00 0.00 O ATOM 908 CB SER A 60 4.860 1.030 -6.135 1.00 0.00 C ATOM 909 OG SER A 60 5.854 2.031 -5.996 1.00 0.00 O ATOM 0 H SER A 60 3.020 -0.669 -7.497 1.00 0.00 H new ATOM 0 HA SER A 60 4.597 1.740 -8.145 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.963 1.326 -5.592 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.211 0.100 -5.688 1.00 0.00 H new ATOM 0 HG SER A 60 5.440 2.916 -6.075 1.00 0.00 H new ATOM 915 N GLN A 61 6.374 0.306 -9.087 1.00 0.00 N ATOM 916 CA GLN A 61 7.368 -0.535 -9.744 1.00 0.00 C ATOM 917 C GLN A 61 8.483 -0.917 -8.776 1.00 0.00 C ATOM 918 O GLN A 61 9.351 -1.728 -9.100 1.00 0.00 O ATOM 919 CB GLN A 61 7.955 0.186 -10.958 1.00 0.00 C ATOM 920 CG GLN A 61 7.086 0.092 -12.201 1.00 0.00 C ATOM 921 CD GLN A 61 7.890 0.175 -13.483 1.00 0.00 C ATOM 922 OE1 GLN A 61 7.990 1.236 -14.099 1.00 0.00 O ATOM 923 NE2 GLN A 61 8.470 -0.948 -13.893 1.00 0.00 N ATOM 0 H GLN A 61 6.414 1.290 -9.351 1.00 0.00 H new ATOM 0 HA GLN A 61 6.873 -1.447 -10.077 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.105 1.236 -10.709 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.937 -0.233 -11.179 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.534 -0.848 -12.183 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.349 0.895 -12.186 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.361 -1.805 -13.351 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.024 -0.953 -14.749 1.00 0.00 H new ATOM 932 N THR A 62 8.453 -0.328 -7.584 1.00 0.00 N ATOM 933 CA THR A 62 9.461 -0.606 -6.569 1.00 0.00 C ATOM 934 C THR A 62 8.816 -1.015 -5.250 1.00 0.00 C ATOM 935 O THR A 62 7.594 -0.979 -5.109 1.00 0.00 O ATOM 936 CB THR A 62 10.366 0.617 -6.327 1.00 0.00 C ATOM 937 OG1 THR A 62 11.218 0.381 -5.201 1.00 0.00 O ATOM 938 CG2 THR A 62 9.533 1.867 -6.086 1.00 0.00 C ATOM 0 H THR A 62 7.741 0.345 -7.298 1.00 0.00 H new ATOM 0 HA THR A 62 10.068 -1.430 -6.944 1.00 0.00 H new ATOM 0 HB THR A 62 10.976 0.772 -7.217 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.987 0.988 -5.240 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.194 2.718 -5.918 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.907 2.061 -6.957 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.901 1.720 -5.210 1.00 0.00 H new ATOM 946 N ASN A 63 9.645 -1.403 -4.286 1.00 0.00 N ATOM 947 CA ASN A 63 9.154 -1.819 -2.978 1.00 0.00 C ATOM 948 C ASN A 63 8.937 -0.613 -2.069 1.00 0.00 C ATOM 949 O ASN A 63 8.750 -0.757 -0.861 1.00 0.00 O ATOM 950 CB ASN A 63 10.139 -2.792 -2.326 1.00 0.00 C ATOM 951 CG ASN A 63 9.834 -4.238 -2.666 1.00 0.00 C ATOM 952 OD1 ASN A 63 9.954 -4.655 -3.818 1.00 0.00 O ATOM 953 ND2 ASN A 63 9.437 -5.011 -1.661 1.00 0.00 N ATOM 0 H ASN A 63 10.659 -1.438 -4.386 1.00 0.00 H new ATOM 0 HA ASN A 63 8.197 -2.321 -3.120 1.00 0.00 H new ATOM 0 HB2 ASN A 63 11.152 -2.551 -2.650 1.00 0.00 H new ATOM 0 HB3 ASN A 63 10.111 -2.662 -1.244 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.218 -5.993 -1.829 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.352 -4.623 -0.722 1.00 0.00 H new ATOM 960 N THR A 64 8.961 0.578 -2.660 1.00 0.00 N ATOM 961 CA THR A 64 8.768 1.809 -1.905 1.00 0.00 C ATOM 962 C THR A 64 7.836 2.765 -2.642 1.00 0.00 C ATOM 963 O THR A 64 8.065 3.097 -3.805 1.00 0.00 O ATOM 964 CB THR A 64 10.108 2.521 -1.638 1.00 0.00 C ATOM 965 OG1 THR A 64 9.886 3.713 -0.876 1.00 0.00 O ATOM 966 CG2 THR A 64 10.805 2.870 -2.944 1.00 0.00 C ATOM 0 H THR A 64 9.112 0.715 -3.659 1.00 0.00 H new ATOM 0 HA THR A 64 8.318 1.528 -0.953 1.00 0.00 H new ATOM 0 HB THR A 64 10.748 1.843 -1.073 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.184 3.551 -0.212 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.749 3.372 -2.730 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.999 1.958 -3.508 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.168 3.531 -3.531 1.00 0.00 H new ATOM 974 N ALA A 65 6.785 3.205 -1.958 1.00 0.00 N ATOM 975 CA ALA A 65 5.821 4.125 -2.547 1.00 0.00 C ATOM 976 C ALA A 65 5.267 5.085 -1.499 1.00 0.00 C ATOM 977 O ALA A 65 5.177 4.746 -0.319 1.00 0.00 O ATOM 978 CB ALA A 65 4.689 3.352 -3.207 1.00 0.00 C ATOM 0 H ALA A 65 6.580 2.939 -0.995 1.00 0.00 H new ATOM 0 HA ALA A 65 6.335 4.714 -3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.976 4.052 -3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.094 2.712 -3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.185 2.738 -2.461 1.00 0.00 H new ATOM 984 N ARG A 66 4.898 6.284 -1.938 1.00 0.00 N ATOM 985 CA ARG A 66 4.355 7.293 -1.038 1.00 0.00 C ATOM 986 C ARG A 66 2.994 7.782 -1.525 1.00 0.00 C ATOM 987 O ARG A 66 2.818 8.079 -2.707 1.00 0.00 O ATOM 988 CB ARG A 66 5.320 8.474 -0.920 1.00 0.00 C ATOM 989 CG ARG A 66 4.754 9.648 -0.136 1.00 0.00 C ATOM 990 CD ARG A 66 5.348 10.967 -0.603 1.00 0.00 C ATOM 991 NE ARG A 66 6.746 11.110 -0.207 1.00 0.00 N ATOM 992 CZ ARG A 66 7.605 11.918 -0.819 1.00 0.00 C ATOM 993 NH1 ARG A 66 7.210 12.653 -1.849 1.00 0.00 N ATOM 994 NH2 ARG A 66 8.862 11.992 -0.400 1.00 0.00 N ATOM 0 H ARG A 66 4.965 6.580 -2.912 1.00 0.00 H new ATOM 0 HA ARG A 66 4.228 6.836 -0.057 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.238 8.136 -0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.590 8.813 -1.920 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.670 9.675 -0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.959 9.511 0.926 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.270 11.035 -1.688 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.768 11.792 -0.189 1.00 0.00 H new ATOM 0 HE ARG A 66 7.082 10.559 0.583 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.245 12.599 -2.174 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.872 13.272 -2.317 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.169 11.428 0.393 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.521 12.613 -0.871 1.00 0.00 H new ATOM 1008 N ILE A 67 2.036 7.861 -0.608 1.00 0.00 N ATOM 1009 CA ILE A 67 0.692 8.313 -0.945 1.00 0.00 C ATOM 1010 C ILE A 67 0.564 9.824 -0.785 1.00 0.00 C ATOM 1011 O ILE A 67 0.788 10.365 0.298 1.00 0.00 O ATOM 1012 CB ILE A 67 -0.370 7.623 -0.068 1.00 0.00 C ATOM 1013 CG1 ILE A 67 0.004 6.159 0.167 1.00 0.00 C ATOM 1014 CG2 ILE A 67 -1.742 7.728 -0.718 1.00 0.00 C ATOM 1015 CD1 ILE A 67 -0.038 5.315 -1.087 1.00 0.00 C ATOM 0 H ILE A 67 2.166 7.618 0.374 1.00 0.00 H new ATOM 0 HA ILE A 67 0.521 8.045 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.407 8.128 0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.006 6.113 0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.676 5.733 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.482 7.236 -0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.008 8.778 -0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.720 7.245 -1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.239 4.289 -0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.046 5.331 -1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.663 5.716 -1.819 1.00 0.00 H new ATOM 1027 N ASP A 68 0.202 10.499 -1.869 1.00 0.00 N ATOM 1028 CA ASP A 68 0.041 11.949 -1.849 1.00 0.00 C ATOM 1029 C ASP A 68 -1.428 12.335 -2.000 1.00 0.00 C ATOM 1030 O ASP A 68 -2.197 11.640 -2.662 1.00 0.00 O ATOM 1031 CB ASP A 68 0.867 12.590 -2.965 1.00 0.00 C ATOM 1032 CG ASP A 68 0.431 12.134 -4.344 1.00 0.00 C ATOM 1033 OD1 ASP A 68 0.135 10.932 -4.504 1.00 0.00 O ATOM 1034 OD2 ASP A 68 0.388 12.980 -5.262 1.00 0.00 O ATOM 0 H ASP A 68 0.014 10.066 -2.773 1.00 0.00 H new ATOM 0 HA ASP A 68 0.397 12.317 -0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.780 13.675 -2.900 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.919 12.345 -2.821 1.00 0.00 H new ATOM 1039 N GLY A 69 -1.809 13.447 -1.380 1.00 0.00 N ATOM 1040 CA GLY A 69 -3.183 13.906 -1.457 1.00 0.00 C ATOM 1041 C GLY A 69 -3.978 13.567 -0.211 1.00 0.00 C ATOM 1042 O GLY A 69 -5.085 13.034 -0.298 1.00 0.00 O ATOM 0 H GLY A 69 -1.190 14.039 -0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.194 14.985 -1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.665 13.457 -2.325 1.00 0.00 H new ATOM 1046 N LEU A 70 -3.412 13.873 0.951 1.00 0.00 N ATOM 1047 CA LEU A 70 -4.075 13.596 2.221 1.00 0.00 C ATOM 1048 C LEU A 70 -4.083 14.834 3.112 1.00 0.00 C ATOM 1049 O LEU A 70 -3.479 15.854 2.780 1.00 0.00 O ATOM 1050 CB LEU A 70 -3.377 12.440 2.941 1.00 0.00 C ATOM 1051 CG LEU A 70 -3.040 11.221 2.082 1.00 0.00 C ATOM 1052 CD1 LEU A 70 -2.086 10.295 2.821 1.00 0.00 C ATOM 1053 CD2 LEU A 70 -4.308 10.478 1.688 1.00 0.00 C ATOM 0 H LEU A 70 -2.496 14.313 1.040 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.107 13.315 2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.453 12.817 3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.012 12.115 3.765 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.548 11.567 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.857 9.433 2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.165 10.830 3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.551 9.957 3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.048 9.614 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.828 10.145 2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.957 11.143 1.118 1.00 0.00 H new ATOM 1065 N ARG A 71 -4.770 14.736 4.246 1.00 0.00 N ATOM 1066 CA ARG A 71 -4.856 15.847 5.185 1.00 0.00 C ATOM 1067 C ARG A 71 -4.014 15.575 6.428 1.00 0.00 C ATOM 1068 O ARG A 71 -3.783 14.428 6.813 1.00 0.00 O ATOM 1069 CB ARG A 71 -6.312 16.093 5.586 1.00 0.00 C ATOM 1070 CG ARG A 71 -7.163 16.668 4.466 1.00 0.00 C ATOM 1071 CD ARG A 71 -6.902 18.154 4.275 1.00 0.00 C ATOM 1072 NE ARG A 71 -7.404 18.636 2.991 1.00 0.00 N ATOM 1073 CZ ARG A 71 -7.143 19.846 2.508 1.00 0.00 C ATOM 1074 NH1 ARG A 71 -6.389 20.691 3.198 1.00 0.00 N ATOM 1075 NH2 ARG A 71 -7.636 20.212 1.332 1.00 0.00 N ATOM 0 H ARG A 71 -5.275 13.898 4.536 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.467 16.738 4.691 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.752 15.153 5.919 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.336 16.775 6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.951 16.138 3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.218 16.509 4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.376 18.712 5.082 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.831 18.346 4.341 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.986 18.010 2.435 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.008 20.413 4.102 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.190 21.619 2.825 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.216 19.564 0.798 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.435 21.141 0.962 1.00 0.00 H new ATOM 1089 N PRO A 72 -3.542 16.653 7.072 1.00 0.00 N ATOM 1090 CA PRO A 72 -2.719 16.556 8.281 1.00 0.00 C ATOM 1091 C PRO A 72 -3.513 16.062 9.486 1.00 0.00 C ATOM 1092 O PRO A 72 -4.654 16.470 9.699 1.00 0.00 O ATOM 1093 CB PRO A 72 -2.246 17.994 8.505 1.00 0.00 C ATOM 1094 CG PRO A 72 -3.284 18.840 7.850 1.00 0.00 C ATOM 1095 CD PRO A 72 -3.778 18.050 6.670 1.00 0.00 C ATOM 0 HA PRO A 72 -1.906 15.839 8.164 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.162 18.222 9.568 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.263 18.161 8.064 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.098 19.062 8.539 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.866 19.795 7.533 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.833 18.239 6.473 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.234 18.304 5.760 1.00 0.00 H new ATOM 1103 N GLY A 73 -2.902 15.180 10.271 1.00 0.00 N ATOM 1104 CA GLY A 73 -3.567 14.646 11.445 1.00 0.00 C ATOM 1105 C GLY A 73 -4.672 13.671 11.091 1.00 0.00 C ATOM 1106 O GLY A 73 -5.683 13.589 11.788 1.00 0.00 O ATOM 0 H GLY A 73 -1.958 14.826 10.115 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.834 14.146 12.078 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.984 15.467 12.028 1.00 0.00 H new ATOM 1110 N MET A 74 -4.480 12.930 10.005 1.00 0.00 N ATOM 1111 CA MET A 74 -5.470 11.956 9.560 1.00 0.00 C ATOM 1112 C MET A 74 -4.848 10.568 9.433 1.00 0.00 C ATOM 1113 O MET A 74 -3.661 10.434 9.135 1.00 0.00 O ATOM 1114 CB MET A 74 -6.070 12.382 8.219 1.00 0.00 C ATOM 1115 CG MET A 74 -7.200 11.483 7.745 1.00 0.00 C ATOM 1116 SD MET A 74 -8.816 12.035 8.324 1.00 0.00 S ATOM 1117 CE MET A 74 -8.836 11.347 9.978 1.00 0.00 C ATOM 0 H MET A 74 -3.648 12.985 9.417 1.00 0.00 H new ATOM 0 HA MET A 74 -6.262 11.914 10.307 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.441 13.403 8.305 1.00 0.00 H new ATOM 0 HB3 MET A 74 -5.283 12.391 7.465 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.200 11.450 6.655 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.021 10.466 8.094 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.864 11.285 10.334 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.396 10.350 9.963 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.259 11.987 10.645 1.00 0.00 H new ATOM 1127 N VAL A 75 -5.658 9.539 9.662 1.00 0.00 N ATOM 1128 CA VAL A 75 -5.187 8.162 9.573 1.00 0.00 C ATOM 1129 C VAL A 75 -5.621 7.517 8.261 1.00 0.00 C ATOM 1130 O VAL A 75 -6.766 7.665 7.833 1.00 0.00 O ATOM 1131 CB VAL A 75 -5.710 7.313 10.747 1.00 0.00 C ATOM 1132 CG1 VAL A 75 -5.074 5.931 10.731 1.00 0.00 C ATOM 1133 CG2 VAL A 75 -5.446 8.015 12.070 1.00 0.00 C ATOM 0 H VAL A 75 -6.643 9.633 9.910 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.098 8.196 9.616 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.787 7.192 10.634 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.455 5.345 11.567 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.319 5.429 9.795 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.992 6.027 10.819 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.822 7.401 12.889 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.374 8.168 12.193 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.953 8.980 12.077 1.00 0.00 H new ATOM 1143 N TYR A 76 -4.699 6.800 7.628 1.00 0.00 N ATOM 1144 CA TYR A 76 -4.985 6.134 6.363 1.00 0.00 C ATOM 1145 C TYR A 76 -4.469 4.698 6.375 1.00 0.00 C ATOM 1146 O TYR A 76 -3.262 4.459 6.412 1.00 0.00 O ATOM 1147 CB TYR A 76 -4.353 6.904 5.202 1.00 0.00 C ATOM 1148 CG TYR A 76 -4.921 8.293 5.017 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -6.067 8.501 4.259 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -4.311 9.397 5.599 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -6.589 9.769 4.087 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -4.827 10.668 5.434 1.00 0.00 C ATOM 1153 CZ TYR A 76 -5.966 10.849 4.676 1.00 0.00 C ATOM 1154 OH TYR A 76 -6.482 12.113 4.508 1.00 0.00 O ATOM 0 H TYR A 76 -3.748 6.665 7.970 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.067 6.112 6.230 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.278 6.979 5.369 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.494 6.337 4.282 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.558 7.658 3.797 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.418 9.259 6.191 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.480 9.913 3.494 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.342 11.515 5.896 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.454 12.057 4.394 1.00 0.00 H new ATOM 1164 N VAL A 77 -5.394 3.744 6.344 1.00 0.00 N ATOM 1165 CA VAL A 77 -5.036 2.330 6.350 1.00 0.00 C ATOM 1166 C VAL A 77 -4.488 1.897 4.995 1.00 0.00 C ATOM 1167 O VAL A 77 -5.246 1.564 4.084 1.00 0.00 O ATOM 1168 CB VAL A 77 -6.244 1.446 6.709 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -5.834 -0.017 6.779 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -6.862 1.898 8.024 1.00 0.00 C ATOM 0 H VAL A 77 -6.397 3.925 6.314 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.264 2.202 7.109 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.994 1.551 5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.701 -0.626 7.034 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.441 -0.331 5.812 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.065 -0.143 7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.715 1.262 8.263 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.120 1.824 8.819 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.194 2.932 7.933 1.00 0.00 H new ATOM 1180 N VAL A 78 -3.165 1.903 4.868 1.00 0.00 N ATOM 1181 CA VAL A 78 -2.514 1.509 3.624 1.00 0.00 C ATOM 1182 C VAL A 78 -1.998 0.077 3.704 1.00 0.00 C ATOM 1183 O VAL A 78 -1.537 -0.369 4.754 1.00 0.00 O ATOM 1184 CB VAL A 78 -1.342 2.447 3.282 1.00 0.00 C ATOM 1185 CG1 VAL A 78 -0.759 2.100 1.920 1.00 0.00 C ATOM 1186 CG2 VAL A 78 -1.793 3.900 3.323 1.00 0.00 C ATOM 0 H VAL A 78 -2.523 2.176 5.612 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.266 1.578 2.838 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.561 2.311 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.068 2.774 1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.397 1.072 1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.530 2.205 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.952 4.549 3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.592 4.053 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.158 4.140 4.322 1.00 0.00 H new ATOM 1196 N GLN A 79 -2.077 -0.639 2.586 1.00 0.00 N ATOM 1197 CA GLN A 79 -1.618 -2.021 2.531 1.00 0.00 C ATOM 1198 C GLN A 79 -0.809 -2.275 1.263 1.00 0.00 C ATOM 1199 O GLN A 79 -0.741 -1.424 0.376 1.00 0.00 O ATOM 1200 CB GLN A 79 -2.809 -2.979 2.590 1.00 0.00 C ATOM 1201 CG GLN A 79 -3.310 -3.240 4.001 1.00 0.00 C ATOM 1202 CD GLN A 79 -4.629 -3.987 4.023 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -5.700 -3.379 4.025 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -4.559 -5.313 4.040 1.00 0.00 N ATOM 0 H GLN A 79 -2.454 -0.284 1.707 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.975 -2.199 3.393 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.624 -2.569 1.994 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.525 -3.927 2.133 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.562 -3.815 4.547 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.426 -2.290 4.523 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.650 -5.776 4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.414 -5.869 4.055 1.00 0.00 H new ATOM 1213 N VAL A 80 -0.196 -3.452 1.184 1.00 0.00 N ATOM 1214 CA VAL A 80 0.609 -3.818 0.025 1.00 0.00 C ATOM 1215 C VAL A 80 0.499 -5.310 -0.271 1.00 0.00 C ATOM 1216 O VAL A 80 0.397 -6.128 0.643 1.00 0.00 O ATOM 1217 CB VAL A 80 2.091 -3.455 0.233 1.00 0.00 C ATOM 1218 CG1 VAL A 80 2.669 -4.222 1.413 1.00 0.00 C ATOM 1219 CG2 VAL A 80 2.889 -3.729 -1.033 1.00 0.00 C ATOM 0 H VAL A 80 -0.242 -4.168 1.909 1.00 0.00 H new ATOM 0 HA VAL A 80 0.220 -3.252 -0.822 1.00 0.00 H new ATOM 0 HB VAL A 80 2.158 -2.390 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.717 -3.952 1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.114 -3.971 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.591 -5.293 1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.934 -3.467 -0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.816 -4.786 -1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.490 -3.130 -1.852 1.00 0.00 H new ATOM 1229 N ARG A 81 0.521 -5.656 -1.554 1.00 0.00 N ATOM 1230 CA ARG A 81 0.423 -7.050 -1.971 1.00 0.00 C ATOM 1231 C ARG A 81 1.353 -7.332 -3.147 1.00 0.00 C ATOM 1232 O ARG A 81 1.850 -6.410 -3.793 1.00 0.00 O ATOM 1233 CB ARG A 81 -1.019 -7.389 -2.355 1.00 0.00 C ATOM 1234 CG ARG A 81 -1.489 -6.702 -3.626 1.00 0.00 C ATOM 1235 CD ARG A 81 -2.773 -7.323 -4.153 1.00 0.00 C ATOM 1236 NE ARG A 81 -3.556 -6.375 -4.941 1.00 0.00 N ATOM 1237 CZ ARG A 81 -4.793 -6.616 -5.363 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -5.383 -7.768 -5.075 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -5.441 -5.703 -6.075 1.00 0.00 N ATOM 0 H ARG A 81 0.606 -4.991 -2.322 1.00 0.00 H new ATOM 0 HA ARG A 81 0.726 -7.677 -1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.108 -8.468 -2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.680 -7.108 -1.535 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.650 -5.642 -3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.711 -6.771 -4.387 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.531 -8.191 -4.766 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.373 -7.681 -3.316 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.130 -5.479 -5.180 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.887 -8.472 -4.528 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.332 -7.950 -5.400 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.990 -4.816 -6.299 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.390 -5.888 -6.399 1.00 0.00 H new ATOM 1253 N ALA A 82 1.585 -8.613 -3.417 1.00 0.00 N ATOM 1254 CA ALA A 82 2.454 -9.016 -4.515 1.00 0.00 C ATOM 1255 C ALA A 82 1.641 -9.520 -5.703 1.00 0.00 C ATOM 1256 O ALA A 82 0.776 -10.384 -5.554 1.00 0.00 O ATOM 1257 CB ALA A 82 3.430 -10.087 -4.050 1.00 0.00 C ATOM 0 H ALA A 82 1.183 -9.389 -2.890 1.00 0.00 H new ATOM 0 HA ALA A 82 3.018 -8.141 -4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.073 -10.379 -4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.042 -9.694 -3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.875 -10.957 -3.698 1.00 0.00 H new ATOM 1263 N ARG A 83 1.922 -8.974 -6.881 1.00 0.00 N ATOM 1264 CA ARG A 83 1.215 -9.367 -8.094 1.00 0.00 C ATOM 1265 C ARG A 83 2.165 -10.028 -9.088 1.00 0.00 C ATOM 1266 O ARG A 83 3.256 -9.522 -9.353 1.00 0.00 O ATOM 1267 CB ARG A 83 0.551 -8.149 -8.740 1.00 0.00 C ATOM 1268 CG ARG A 83 -0.487 -8.507 -9.791 1.00 0.00 C ATOM 1269 CD ARG A 83 -0.591 -7.431 -10.860 1.00 0.00 C ATOM 1270 NE ARG A 83 -0.856 -6.114 -10.288 1.00 0.00 N ATOM 1271 CZ ARG A 83 -1.315 -5.085 -10.992 1.00 0.00 C ATOM 1272 NH1 ARG A 83 -1.561 -5.222 -12.288 1.00 0.00 N ATOM 1273 NH2 ARG A 83 -1.531 -3.918 -10.400 1.00 0.00 N ATOM 0 H ARG A 83 2.635 -8.258 -7.022 1.00 0.00 H new ATOM 0 HA ARG A 83 0.446 -10.089 -7.818 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.077 -7.549 -7.963 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.320 -7.527 -9.198 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.224 -9.458 -10.255 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.458 -8.643 -9.314 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.336 -7.398 -11.432 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.387 -7.690 -11.558 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.679 -5.976 -9.293 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.398 -6.119 -12.746 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.913 -4.431 -12.827 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.345 -3.810 -9.403 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.883 -3.129 -10.942 1.00 0.00 H new ATOM 1287 N THR A 84 1.744 -11.165 -9.635 1.00 0.00 N ATOM 1288 CA THR A 84 2.557 -11.897 -10.597 1.00 0.00 C ATOM 1289 C THR A 84 1.747 -12.264 -11.835 1.00 0.00 C ATOM 1290 O THR A 84 0.520 -12.164 -11.838 1.00 0.00 O ATOM 1291 CB THR A 84 3.139 -13.182 -9.978 1.00 0.00 C ATOM 1292 OG1 THR A 84 2.078 -14.049 -9.562 1.00 0.00 O ATOM 1293 CG2 THR A 84 4.030 -12.855 -8.789 1.00 0.00 C ATOM 0 H THR A 84 0.844 -11.598 -9.427 1.00 0.00 H new ATOM 0 HA THR A 84 3.376 -11.238 -10.885 1.00 0.00 H new ATOM 0 HB THR A 84 3.741 -13.683 -10.735 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.456 -14.864 -9.171 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.429 -13.778 -8.369 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.853 -12.219 -9.115 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.447 -12.333 -8.030 1.00 0.00 H new ATOM 1301 N VAL A 85 2.440 -12.692 -12.885 1.00 0.00 N ATOM 1302 CA VAL A 85 1.784 -13.076 -14.129 1.00 0.00 C ATOM 1303 C VAL A 85 0.577 -13.967 -13.861 1.00 0.00 C ATOM 1304 O VAL A 85 -0.353 -14.028 -14.665 1.00 0.00 O ATOM 1305 CB VAL A 85 2.755 -13.814 -15.071 1.00 0.00 C ATOM 1306 CG1 VAL A 85 4.010 -12.986 -15.300 1.00 0.00 C ATOM 1307 CG2 VAL A 85 3.104 -15.183 -14.508 1.00 0.00 C ATOM 0 H VAL A 85 3.456 -12.782 -12.899 1.00 0.00 H new ATOM 0 HA VAL A 85 1.453 -12.156 -14.610 1.00 0.00 H new ATOM 0 HB VAL A 85 2.263 -13.957 -16.033 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.684 -13.523 -15.968 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.739 -12.031 -15.750 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.508 -12.809 -14.347 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.791 -15.691 -15.185 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.577 -15.066 -13.533 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.195 -15.775 -14.402 1.00 0.00 H new ATOM 1317 N ALA A 86 0.598 -14.657 -12.726 1.00 0.00 N ATOM 1318 CA ALA A 86 -0.496 -15.544 -12.350 1.00 0.00 C ATOM 1319 C ALA A 86 -1.713 -14.749 -11.888 1.00 0.00 C ATOM 1320 O ALA A 86 -2.841 -15.033 -12.289 1.00 0.00 O ATOM 1321 CB ALA A 86 -0.046 -16.505 -11.259 1.00 0.00 C ATOM 0 H ALA A 86 1.361 -14.619 -12.050 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.783 -16.120 -13.230 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.873 -17.161 -10.988 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.788 -17.104 -11.623 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.270 -15.939 -10.383 1.00 0.00 H new ATOM 1327 N GLY A 87 -1.476 -13.751 -11.042 1.00 0.00 N ATOM 1328 CA GLY A 87 -2.563 -12.931 -10.539 1.00 0.00 C ATOM 1329 C GLY A 87 -2.134 -12.043 -9.388 1.00 0.00 C ATOM 1330 O GLY A 87 -0.957 -11.706 -9.260 1.00 0.00 O ATOM 0 H GLY A 87 -0.551 -13.496 -10.696 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.951 -12.311 -11.347 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.379 -13.575 -10.212 1.00 0.00 H new ATOM 1334 N TYR A 88 -3.091 -11.661 -8.550 1.00 0.00 N ATOM 1335 CA TYR A 88 -2.808 -10.802 -7.406 1.00 0.00 C ATOM 1336 C TYR A 88 -2.500 -11.633 -6.165 1.00 0.00 C ATOM 1337 O TYR A 88 -3.063 -12.709 -5.968 1.00 0.00 O ATOM 1338 CB TYR A 88 -3.992 -9.874 -7.132 1.00 0.00 C ATOM 1339 CG TYR A 88 -4.071 -8.697 -8.078 1.00 0.00 C ATOM 1340 CD1 TYR A 88 -3.223 -7.606 -7.934 1.00 0.00 C ATOM 1341 CD2 TYR A 88 -4.994 -8.677 -9.117 1.00 0.00 C ATOM 1342 CE1 TYR A 88 -3.292 -6.529 -8.795 1.00 0.00 C ATOM 1343 CE2 TYR A 88 -5.069 -7.604 -9.984 1.00 0.00 C ATOM 1344 CZ TYR A 88 -4.217 -6.532 -9.819 1.00 0.00 C ATOM 1345 OH TYR A 88 -4.288 -5.461 -10.680 1.00 0.00 O ATOM 0 H TYR A 88 -4.070 -11.933 -8.641 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.932 -10.199 -7.644 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.916 -10.448 -7.202 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.923 -9.503 -6.109 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.497 -7.600 -7.134 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -5.664 -9.514 -9.249 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.626 -5.689 -8.668 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.791 -7.605 -10.787 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.990 -5.621 -11.344 1.00 0.00 H new ATOM 1355 N GLY A 89 -1.601 -11.124 -5.328 1.00 0.00 N ATOM 1356 CA GLY A 89 -1.233 -11.831 -4.115 1.00 0.00 C ATOM 1357 C GLY A 89 -1.902 -11.255 -2.883 1.00 0.00 C ATOM 1358 O GLY A 89 -2.532 -10.199 -2.945 1.00 0.00 O ATOM 0 H GLY A 89 -1.121 -10.235 -5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.504 -12.882 -4.214 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.151 -11.792 -3.989 1.00 0.00 H new ATOM 1362 N LYS A 90 -1.768 -11.951 -1.759 1.00 0.00 N ATOM 1363 CA LYS A 90 -2.365 -11.504 -0.506 1.00 0.00 C ATOM 1364 C LYS A 90 -1.771 -10.169 -0.066 1.00 0.00 C ATOM 1365 O LYS A 90 -0.680 -9.793 -0.494 1.00 0.00 O ATOM 1366 CB LYS A 90 -2.153 -12.553 0.587 1.00 0.00 C ATOM 1367 CG LYS A 90 -3.134 -13.711 0.517 1.00 0.00 C ATOM 1368 CD LYS A 90 -4.391 -13.427 1.322 1.00 0.00 C ATOM 1369 CE LYS A 90 -4.207 -13.787 2.788 1.00 0.00 C ATOM 1370 NZ LYS A 90 -5.308 -13.248 3.634 1.00 0.00 N ATOM 0 H LYS A 90 -1.251 -12.827 -1.690 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.434 -11.370 -0.670 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.138 -12.943 0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.240 -12.073 1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.402 -13.900 -0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.657 -14.616 0.893 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.649 -12.372 1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.225 -13.994 0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.166 -14.871 2.893 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.253 -13.396 3.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.146 -13.515 4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.332 -12.211 3.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.216 -13.641 3.314 1.00 0.00 H new ATOM 1384 N PHE A 91 -2.496 -9.459 0.792 1.00 0.00 N ATOM 1385 CA PHE A 91 -2.040 -8.166 1.291 1.00 0.00 C ATOM 1386 C PHE A 91 -1.251 -8.331 2.586 1.00 0.00 C ATOM 1387 O PHE A 91 -1.431 -9.305 3.317 1.00 0.00 O ATOM 1388 CB PHE A 91 -3.232 -7.235 1.521 1.00 0.00 C ATOM 1389 CG PHE A 91 -3.625 -6.451 0.302 1.00 0.00 C ATOM 1390 CD1 PHE A 91 -2.892 -5.342 -0.090 1.00 0.00 C ATOM 1391 CD2 PHE A 91 -4.726 -6.823 -0.452 1.00 0.00 C ATOM 1392 CE1 PHE A 91 -3.252 -4.618 -1.211 1.00 0.00 C ATOM 1393 CE2 PHE A 91 -5.091 -6.103 -1.574 1.00 0.00 C ATOM 1394 CZ PHE A 91 -4.352 -5.000 -1.955 1.00 0.00 C ATOM 0 H PHE A 91 -3.401 -9.757 1.156 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.384 -7.725 0.540 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.085 -7.826 1.854 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.991 -6.542 2.327 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.030 -5.040 0.487 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.306 -7.686 -0.160 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.674 -3.754 -1.505 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -5.953 -6.402 -2.152 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.633 -4.437 -2.833 1.00 0.00 H new ATOM 1404 N SER A 92 -0.374 -7.371 2.864 1.00 0.00 N ATOM 1405 CA SER A 92 0.446 -7.410 4.069 1.00 0.00 C ATOM 1406 C SER A 92 -0.364 -6.994 5.293 1.00 0.00 C ATOM 1407 O SER A 92 -1.334 -6.245 5.183 1.00 0.00 O ATOM 1408 CB SER A 92 1.662 -6.495 3.913 1.00 0.00 C ATOM 1409 OG SER A 92 1.284 -5.130 3.969 1.00 0.00 O ATOM 0 H SER A 92 -0.213 -6.557 2.271 1.00 0.00 H new ATOM 0 HA SER A 92 0.787 -8.435 4.213 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.385 -6.708 4.701 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.156 -6.700 2.963 1.00 0.00 H new ATOM 0 HG SER A 92 1.741 -4.695 4.719 1.00 0.00 H new ATOM 1415 N GLY A 93 0.042 -7.486 6.459 1.00 0.00 N ATOM 1416 CA GLY A 93 -0.657 -7.156 7.687 1.00 0.00 C ATOM 1417 C GLY A 93 -1.194 -5.738 7.685 1.00 0.00 C ATOM 1418 O GLY A 93 -0.429 -4.776 7.751 1.00 0.00 O ATOM 0 H GLY A 93 0.843 -8.107 6.575 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.482 -7.854 7.831 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.019 -7.284 8.532 1.00 0.00 H new ATOM 1422 N LYS A 94 -2.514 -5.607 7.608 1.00 0.00 N ATOM 1423 CA LYS A 94 -3.154 -4.297 7.597 1.00 0.00 C ATOM 1424 C LYS A 94 -2.439 -3.334 8.540 1.00 0.00 C ATOM 1425 O LYS A 94 -2.154 -3.673 9.688 1.00 0.00 O ATOM 1426 CB LYS A 94 -4.626 -4.422 7.998 1.00 0.00 C ATOM 1427 CG LYS A 94 -5.559 -4.653 6.823 1.00 0.00 C ATOM 1428 CD LYS A 94 -6.988 -4.888 7.283 1.00 0.00 C ATOM 1429 CE LYS A 94 -7.986 -4.600 6.172 1.00 0.00 C ATOM 1430 NZ LYS A 94 -7.995 -5.675 5.142 1.00 0.00 N ATOM 0 H LYS A 94 -3.162 -6.393 7.552 1.00 0.00 H new ATOM 0 HA LYS A 94 -3.092 -3.899 6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.733 -5.246 8.703 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.930 -3.514 8.520 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.527 -3.791 6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.215 -5.513 6.248 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.099 -5.920 7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.204 -4.252 8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.984 -4.497 6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.741 -3.648 5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.164 -5.257 4.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.077 -6.164 5.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.750 -6.356 5.358 1.00 0.00 H new ATOM 1444 N MET A 95 -2.154 -2.133 8.047 1.00 0.00 N ATOM 1445 CA MET A 95 -1.475 -1.121 8.848 1.00 0.00 C ATOM 1446 C MET A 95 -2.150 0.238 8.692 1.00 0.00 C ATOM 1447 O MET A 95 -2.801 0.506 7.681 1.00 0.00 O ATOM 1448 CB MET A 95 -0.003 -1.023 8.442 1.00 0.00 C ATOM 1449 CG MET A 95 0.904 -0.534 9.560 1.00 0.00 C ATOM 1450 SD MET A 95 1.313 -1.834 10.740 1.00 0.00 S ATOM 1451 CE MET A 95 2.589 -2.715 9.844 1.00 0.00 C ATOM 0 H MET A 95 -2.382 -1.837 7.098 1.00 0.00 H new ATOM 0 HA MET A 95 -1.537 -1.419 9.895 1.00 0.00 H new ATOM 0 HB2 MET A 95 0.340 -2.003 8.109 1.00 0.00 H new ATOM 0 HB3 MET A 95 0.087 -0.348 7.591 1.00 0.00 H new ATOM 0 HG2 MET A 95 1.823 -0.137 9.130 1.00 0.00 H new ATOM 0 HG3 MET A 95 0.417 0.288 10.085 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.031 -3.472 10.491 1.00 0.00 H new ATOM 0 HE2 MET A 95 2.153 -3.196 8.968 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.361 -2.014 9.526 1.00 0.00 H new ATOM 1461 N CYS A 96 -1.990 1.091 9.697 1.00 0.00 N ATOM 1462 CA CYS A 96 -2.585 2.423 9.671 1.00 0.00 C ATOM 1463 C CYS A 96 -1.525 3.497 9.895 1.00 0.00 C ATOM 1464 O CYS A 96 -0.964 3.612 10.985 1.00 0.00 O ATOM 1465 CB CYS A 96 -3.677 2.537 10.736 1.00 0.00 C ATOM 1466 SG CYS A 96 -4.722 1.069 10.881 1.00 0.00 S ATOM 0 H CYS A 96 -1.454 0.885 10.540 1.00 0.00 H new ATOM 0 HA CYS A 96 -3.029 2.576 8.687 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -3.210 2.734 11.701 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -4.306 3.397 10.505 1.00 0.00 H new ATOM 0 HG CYS A 96 -5.613 1.260 11.808 1.00 0.00 H new ATOM 1472 N PHE A 97 -1.255 4.280 8.856 1.00 0.00 N ATOM 1473 CA PHE A 97 -0.260 5.343 8.939 1.00 0.00 C ATOM 1474 C PHE A 97 -0.927 6.715 8.911 1.00 0.00 C ATOM 1475 O PHE A 97 -1.600 7.070 7.944 1.00 0.00 O ATOM 1476 CB PHE A 97 0.739 5.226 7.786 1.00 0.00 C ATOM 1477 CG PHE A 97 1.331 3.853 7.643 1.00 0.00 C ATOM 1478 CD1 PHE A 97 0.696 2.886 6.880 1.00 0.00 C ATOM 1479 CD2 PHE A 97 2.523 3.529 8.271 1.00 0.00 C ATOM 1480 CE1 PHE A 97 1.238 1.622 6.747 1.00 0.00 C ATOM 1481 CE2 PHE A 97 3.070 2.266 8.141 1.00 0.00 C ATOM 1482 CZ PHE A 97 2.427 1.312 7.378 1.00 0.00 C ATOM 0 H PHE A 97 -1.711 4.199 7.947 1.00 0.00 H new ATOM 0 HA PHE A 97 0.272 5.236 9.884 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.241 5.497 6.855 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.543 5.946 7.938 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.233 3.123 6.384 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.030 4.272 8.869 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.733 0.877 6.150 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.999 2.026 8.636 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.853 0.325 7.275 1.00 0.00 H new ATOM 1492 N GLN A 98 -0.734 7.481 9.980 1.00 0.00 N ATOM 1493 CA GLN A 98 -1.318 8.814 10.079 1.00 0.00 C ATOM 1494 C GLN A 98 -0.287 9.886 9.742 1.00 0.00 C ATOM 1495 O GLN A 98 0.882 9.779 10.115 1.00 0.00 O ATOM 1496 CB GLN A 98 -1.872 9.047 11.486 1.00 0.00 C ATOM 1497 CG GLN A 98 -0.806 9.038 12.569 1.00 0.00 C ATOM 1498 CD GLN A 98 -1.390 8.897 13.961 1.00 0.00 C ATOM 1499 OE1 GLN A 98 -1.803 7.810 14.367 1.00 0.00 O ATOM 1500 NE2 GLN A 98 -1.429 9.999 14.702 1.00 0.00 N ATOM 0 H GLN A 98 -0.179 7.202 10.789 1.00 0.00 H new ATOM 0 HA GLN A 98 -2.134 8.881 9.359 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.393 10.004 11.508 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.611 8.277 11.709 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.113 8.217 12.385 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.229 9.961 12.513 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.076 10.879 14.326 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.812 9.965 15.647 1.00 0.00 H new ATOM 1509 N THR A 99 -0.727 10.921 9.033 1.00 0.00 N ATOM 1510 CA THR A 99 0.157 12.012 8.644 1.00 0.00 C ATOM 1511 C THR A 99 0.723 12.725 9.867 1.00 0.00 C ATOM 1512 O THR A 99 0.424 12.359 11.005 1.00 0.00 O ATOM 1513 CB THR A 99 -0.574 13.039 7.758 1.00 0.00 C ATOM 1514 OG1 THR A 99 -1.700 13.577 8.460 1.00 0.00 O ATOM 1515 CG2 THR A 99 -1.038 12.399 6.458 1.00 0.00 C ATOM 0 H THR A 99 -1.691 11.026 8.717 1.00 0.00 H new ATOM 0 HA THR A 99 0.974 11.568 8.075 1.00 0.00 H new ATOM 0 HB THR A 99 0.123 13.843 7.520 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.404 13.809 7.819 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.551 13.143 5.849 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.175 12.016 5.913 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.720 11.578 6.680 1.00 0.00 H new ATOM 1523 N LEU A 100 1.540 13.744 9.627 1.00 0.00 N ATOM 1524 CA LEU A 100 2.148 14.509 10.710 1.00 0.00 C ATOM 1525 C LEU A 100 1.146 15.489 11.313 1.00 0.00 C ATOM 1526 O LEU A 100 0.472 16.227 10.593 1.00 0.00 O ATOM 1527 CB LEU A 100 3.375 15.266 10.200 1.00 0.00 C ATOM 1528 CG LEU A 100 4.511 14.407 9.646 1.00 0.00 C ATOM 1529 CD1 LEU A 100 5.603 15.283 9.053 1.00 0.00 C ATOM 1530 CD2 LEU A 100 5.079 13.507 10.734 1.00 0.00 C ATOM 0 H LEU A 100 1.797 14.060 8.692 1.00 0.00 H new ATOM 0 HA LEU A 100 2.457 13.810 11.487 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.053 15.955 9.419 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.769 15.871 11.016 1.00 0.00 H new ATOM 0 HG LEU A 100 4.109 13.776 8.853 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.403 14.653 8.664 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.188 15.884 8.244 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.002 15.940 9.826 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.887 12.903 10.321 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.464 14.120 11.549 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.293 12.853 11.112 1.00 0.00 H new ATOM 1542 N THR A 101 1.054 15.492 12.639 1.00 0.00 N ATOM 1543 CA THR A 101 0.136 16.381 13.339 1.00 0.00 C ATOM 1544 C THR A 101 0.849 17.640 13.821 1.00 0.00 C ATOM 1545 O THR A 101 1.695 17.582 14.713 1.00 0.00 O ATOM 1546 CB THR A 101 -0.515 15.680 14.547 1.00 0.00 C ATOM 1547 OG1 THR A 101 0.494 15.268 15.476 1.00 0.00 O ATOM 1548 CG2 THR A 101 -1.323 14.472 14.099 1.00 0.00 C ATOM 0 H THR A 101 1.604 14.888 13.250 1.00 0.00 H new ATOM 0 HA THR A 101 -0.641 16.657 12.626 1.00 0.00 H new ATOM 0 HB THR A 101 -1.187 16.388 15.032 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.262 15.874 15.415 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.773 13.993 14.968 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.108 14.793 13.414 1.00 0.00 H new ATOM 0 HG23 THR A 101 -0.668 13.763 13.593 1.00 0.00 H new ATOM 1556 N ASP A 102 0.502 18.775 13.226 1.00 0.00 N ATOM 1557 CA ASP A 102 1.108 20.049 13.595 1.00 0.00 C ATOM 1558 C ASP A 102 0.306 20.733 14.698 1.00 0.00 C ATOM 1559 O ASP A 102 -0.635 21.478 14.424 1.00 0.00 O ATOM 1560 CB ASP A 102 1.205 20.965 12.375 1.00 0.00 C ATOM 1561 CG ASP A 102 1.653 22.368 12.738 1.00 0.00 C ATOM 1562 OD1 ASP A 102 2.727 22.504 13.360 1.00 0.00 O ATOM 1563 OD2 ASP A 102 0.929 23.328 12.401 1.00 0.00 O ATOM 0 H ASP A 102 -0.196 18.839 12.485 1.00 0.00 H new ATOM 0 HA ASP A 102 2.112 19.850 13.970 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.906 20.537 11.658 1.00 0.00 H new ATOM 0 HB3 ASP A 102 0.234 21.013 11.882 1.00 0.00 H new ATOM 1568 N SER A 103 0.684 20.474 15.946 1.00 0.00 N ATOM 1569 CA SER A 103 -0.004 21.060 17.090 1.00 0.00 C ATOM 1570 C SER A 103 0.917 22.013 17.847 1.00 0.00 C ATOM 1571 O SER A 103 2.121 21.781 17.949 1.00 0.00 O ATOM 1572 CB SER A 103 -0.503 19.961 18.030 1.00 0.00 C ATOM 1573 OG SER A 103 -1.592 20.416 18.814 1.00 0.00 O ATOM 0 H SER A 103 1.463 19.862 16.190 1.00 0.00 H new ATOM 0 HA SER A 103 -0.858 21.626 16.718 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.808 19.091 17.448 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.309 19.639 18.682 1.00 0.00 H new ATOM 0 HG SER A 103 -1.894 19.695 19.405 1.00 0.00 H new ATOM 1579 N GLY A 104 0.340 23.088 18.376 1.00 0.00 N ATOM 1580 CA GLY A 104 1.122 24.061 19.116 1.00 0.00 C ATOM 1581 C GLY A 104 1.585 23.532 20.459 1.00 0.00 C ATOM 1582 O GLY A 104 0.852 22.836 21.162 1.00 0.00 O ATOM 0 H GLY A 104 -0.655 23.302 18.305 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.990 24.351 18.524 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.526 24.961 19.269 1.00 0.00 H new ATOM 1586 N PRO A 105 2.831 23.862 20.831 1.00 0.00 N ATOM 1587 CA PRO A 105 3.419 23.424 22.100 1.00 0.00 C ATOM 1588 C PRO A 105 2.775 24.104 23.303 1.00 0.00 C ATOM 1589 O PRO A 105 3.024 25.279 23.572 1.00 0.00 O ATOM 1590 CB PRO A 105 4.887 23.841 21.973 1.00 0.00 C ATOM 1591 CG PRO A 105 4.876 24.976 21.009 1.00 0.00 C ATOM 1592 CD PRO A 105 3.760 24.687 20.042 1.00 0.00 C ATOM 0 HA PRO A 105 3.277 22.356 22.268 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.297 24.144 22.936 1.00 0.00 H new ATOM 0 HB3 PRO A 105 5.502 23.018 21.609 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.712 25.923 21.523 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.831 25.057 20.490 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.285 25.603 19.691 1.00 0.00 H new ATOM 0 HD3 PRO A 105 4.119 24.156 19.160 1.00 0.00 H new ATOM 1600 N SER A 106 1.944 23.357 24.025 1.00 0.00 N ATOM 1601 CA SER A 106 1.261 23.890 25.198 1.00 0.00 C ATOM 1602 C SER A 106 0.623 22.767 26.011 1.00 0.00 C ATOM 1603 O SER A 106 0.125 21.789 25.455 1.00 0.00 O ATOM 1604 CB SER A 106 0.192 24.900 24.777 1.00 0.00 C ATOM 1605 OG SER A 106 0.005 25.890 25.773 1.00 0.00 O ATOM 0 H SER A 106 1.728 22.382 23.818 1.00 0.00 H new ATOM 0 HA SER A 106 2.000 24.393 25.821 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.484 25.373 23.840 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.749 24.382 24.593 1.00 0.00 H new ATOM 0 HG SER A 106 -0.682 26.524 25.479 1.00 0.00 H new ATOM 1611 N SER A 107 0.643 22.917 27.331 1.00 0.00 N ATOM 1612 CA SER A 107 0.071 21.915 28.223 1.00 0.00 C ATOM 1613 C SER A 107 -1.277 22.378 28.767 1.00 0.00 C ATOM 1614 O SER A 107 -1.558 23.574 28.825 1.00 0.00 O ATOM 1615 CB SER A 107 1.029 21.625 29.381 1.00 0.00 C ATOM 1616 OG SER A 107 0.454 20.715 30.302 1.00 0.00 O ATOM 0 H SER A 107 1.049 23.723 27.807 1.00 0.00 H new ATOM 0 HA SER A 107 -0.083 21.000 27.650 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.961 21.214 28.992 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.279 22.555 29.892 1.00 0.00 H new ATOM 0 HG SER A 107 1.086 20.545 31.031 1.00 0.00 H new ATOM 1622 N GLY A 108 -2.108 21.419 29.164 1.00 0.00 N ATOM 1623 CA GLY A 108 -3.418 21.747 29.698 1.00 0.00 C ATOM 1624 C GLY A 108 -3.647 21.157 31.075 1.00 0.00 C ATOM 1625 O GLY A 108 -2.913 21.459 32.017 1.00 0.00 O ATOM 0 H GLY A 108 -1.898 20.422 29.126 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.526 22.831 29.748 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -4.187 21.381 29.017 1.00 0.00 H new TER 1629 GLY A 108