USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 789 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 69 SER OG : rot -48:sc= 0.434 USER MOD Set 1.2: A 102 SER OG : rot 180:sc= -0.627 USER MOD Set 2.1: A 81 SER OG : rot -110:sc= -1.54 USER MOD Set 2.2: A 86 ASN : amide:sc= -5.32! C(o=-6.9!,f=-4.1!) USER MOD Set 3.1: A 35 THR OG1 : rot 83:sc= 0.497 USER MOD Set 3.2: A 85 TYR OH : rot 20:sc= -1.99 USER MOD Set 4.1: A 39 GLN : amide:sc= -0.397 K(o=-0.4,f=-5.8!) USER MOD Set 4.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 24 THR OG1 : rot 68:sc= 0.589 USER MOD Set 5.2: A 59 HIS : no HD1:sc= 0.338 K(o=0.93,f=-3.8!) USER MOD Set 6.1: A 4 MET CE :methyl -177:sc= -5.6! (180deg=-2.82) USER MOD Set 6.2: A 26 LYS NZ :NH3+ 163:sc= 0.19 (180deg=0.112) USER MOD Set 6.3: A 27 MET CE :methyl -141:sc= -4.78! (180deg=-1.59!) USER MOD Set 6.4: A 34 HIS : no HE2:sc= -11.2! C(o=-23!,f=-33!) USER MOD Set 6.5: A 80 THR OG1 : rot -122:sc= -1.66! USER MOD Single : A 3 GLN : amide:sc= -2.16 K(o=-2.2,f=-0.53) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -4.42 K(o=-4.4,f=-8.2!) USER MOD Single : A 12 THR OG1 : rot 7:sc= 0.8! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 115:sc= 0.222 USER MOD Single : A 19 SER OG : rot 45:sc= 1.24 USER MOD Single : A 25 MET CE :methyl -153:sc= -0.258 (180deg=-1) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0186 X(o=-0.019,f=0) USER MOD Single : A 40 TYR OH : rot -21:sc= 0.618 USER MOD Single : A 42 LYS NZ :NH3+ -123:sc= -0.241 (180deg=-2.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -78:sc= -0.911 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 56 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.063) USER MOD Single : A 57 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.1) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -126:sc= -3.37! (180deg=-8.57!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 177:sc= -2.3! USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0549 USER MOD Single : A 90 SER OG : rot -156:sc= 0.957 USER MOD Single : A 93 SER OG : rot 143:sc= -0.734 USER MOD Single : A 97 SER OG : rot 170:sc= 0 USER MOD Single : A 100 THR OG1 : rot -146:sc= -0.367 USER MOD ----------------------------------------------------------------- ATOM 39 N GLN A 3 11.107 7.222 -12.849 1.00 0.00 N ATOM 40 CA GLN A 3 12.036 8.140 -13.495 1.00 0.00 C ATOM 41 C GLN A 3 11.729 9.582 -13.113 1.00 0.00 C ATOM 42 O GLN A 3 12.615 10.338 -12.718 1.00 0.00 O ATOM 43 CB GLN A 3 11.969 7.974 -15.013 1.00 0.00 C ATOM 44 CG GLN A 3 13.198 7.307 -15.606 1.00 0.00 C ATOM 45 CD GLN A 3 12.865 6.415 -16.786 1.00 0.00 C ATOM 46 OE1 GLN A 3 13.472 5.361 -16.974 1.00 0.00 O ATOM 47 NE2 GLN A 3 11.893 6.833 -17.588 1.00 0.00 N ATOM 0 HA GLN A 3 13.044 7.902 -13.154 1.00 0.00 H new ATOM 0 HB2 GLN A 3 11.088 7.385 -15.267 1.00 0.00 H new ATOM 0 HB3 GLN A 3 11.841 8.954 -15.472 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.906 8.073 -15.923 1.00 0.00 H new ATOM 0 HG3 GLN A 3 13.693 6.715 -14.836 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.416 7.714 -17.395 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.623 6.274 -18.397 1.00 0.00 H new ATOM 56 N MET A 4 10.465 9.950 -13.240 1.00 0.00 N ATOM 57 CA MET A 4 10.019 11.301 -12.916 1.00 0.00 C ATOM 58 C MET A 4 8.600 11.306 -12.354 1.00 0.00 C ATOM 59 O MET A 4 7.639 11.013 -13.064 1.00 0.00 O ATOM 60 CB MET A 4 10.078 12.189 -14.156 1.00 0.00 C ATOM 61 CG MET A 4 10.766 13.523 -13.914 1.00 0.00 C ATOM 62 SD MET A 4 10.011 14.877 -14.835 1.00 0.00 S ATOM 63 CE MET A 4 9.046 15.672 -13.553 1.00 0.00 C ATOM 0 H MET A 4 9.724 9.330 -13.567 1.00 0.00 H new ATOM 0 HA MET A 4 10.691 11.692 -12.152 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.603 11.657 -14.950 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.064 12.371 -14.511 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.737 13.754 -12.849 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.816 13.441 -14.194 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.479 16.497 -13.983 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.358 14.949 -13.114 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.713 16.054 -12.780 1.00 0.00 H new ATOM 73 N ALA A 5 8.478 11.658 -11.077 1.00 0.00 N ATOM 74 CA ALA A 5 7.184 11.721 -10.414 1.00 0.00 C ATOM 75 C ALA A 5 6.257 12.705 -11.130 1.00 0.00 C ATOM 76 O ALA A 5 6.465 13.917 -11.079 1.00 0.00 O ATOM 77 CB ALA A 5 7.361 12.120 -8.957 1.00 0.00 C ATOM 0 H ALA A 5 9.267 11.905 -10.479 1.00 0.00 H new ATOM 0 HA ALA A 5 6.726 10.733 -10.453 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.386 12.164 -8.471 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.986 11.384 -8.451 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.838 13.099 -8.903 1.00 0.00 H new ATOM 83 N PRO A 6 5.225 12.191 -11.824 1.00 0.00 N ATOM 84 CA PRO A 6 4.272 13.023 -12.568 1.00 0.00 C ATOM 85 C PRO A 6 3.680 14.146 -11.722 1.00 0.00 C ATOM 86 O PRO A 6 3.751 14.111 -10.494 1.00 0.00 O ATOM 87 CB PRO A 6 3.188 12.025 -12.980 1.00 0.00 C ATOM 88 CG PRO A 6 3.898 10.718 -13.049 1.00 0.00 C ATOM 89 CD PRO A 6 4.917 10.758 -11.948 1.00 0.00 C ATOM 0 HA PRO A 6 4.745 13.534 -13.406 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.375 11.998 -12.254 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.748 12.290 -13.941 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.205 9.887 -12.913 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.374 10.581 -14.020 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.521 10.350 -11.018 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.804 10.176 -12.199 1.00 0.00 H new ATOM 97 N PRO A 7 3.089 15.166 -12.374 1.00 0.00 N ATOM 98 CA PRO A 7 2.484 16.308 -11.688 1.00 0.00 C ATOM 99 C PRO A 7 1.103 15.981 -11.130 1.00 0.00 C ATOM 100 O PRO A 7 0.765 14.817 -10.918 1.00 0.00 O ATOM 101 CB PRO A 7 2.369 17.381 -12.788 1.00 0.00 C ATOM 102 CG PRO A 7 2.974 16.785 -14.021 1.00 0.00 C ATOM 103 CD PRO A 7 2.962 15.297 -13.829 1.00 0.00 C ATOM 0 HA PRO A 7 3.079 16.622 -10.830 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.327 17.653 -12.958 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.893 18.292 -12.499 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.404 17.066 -14.907 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.991 17.148 -14.168 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.040 14.847 -14.198 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.786 14.813 -14.354 1.00 0.00 H new ATOM 111 N SER A 8 0.304 17.018 -10.903 1.00 0.00 N ATOM 112 CA SER A 8 -1.046 16.850 -10.380 1.00 0.00 C ATOM 113 C SER A 8 -2.075 17.157 -11.464 1.00 0.00 C ATOM 114 O SER A 8 -2.394 18.318 -11.720 1.00 0.00 O ATOM 115 CB SER A 8 -1.266 17.759 -9.170 1.00 0.00 C ATOM 116 OG SER A 8 -0.797 17.147 -7.981 1.00 0.00 O ATOM 0 H SER A 8 0.570 17.988 -11.074 1.00 0.00 H new ATOM 0 HA SER A 8 -1.169 15.814 -10.064 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.749 18.706 -9.324 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.327 17.988 -9.071 1.00 0.00 H new ATOM 0 HG SER A 8 -0.947 17.749 -7.222 1.00 0.00 H new ATOM 122 N LEU A 9 -2.576 16.108 -12.109 1.00 0.00 N ATOM 123 CA LEU A 9 -3.552 16.262 -13.182 1.00 0.00 C ATOM 124 C LEU A 9 -4.960 16.492 -12.638 1.00 0.00 C ATOM 125 O LEU A 9 -5.382 15.853 -11.675 1.00 0.00 O ATOM 126 CB LEU A 9 -3.539 15.026 -14.085 1.00 0.00 C ATOM 127 CG LEU A 9 -4.237 15.201 -15.434 1.00 0.00 C ATOM 128 CD1 LEU A 9 -3.796 16.496 -16.097 1.00 0.00 C ATOM 129 CD2 LEU A 9 -3.959 14.013 -16.343 1.00 0.00 C ATOM 0 H LEU A 9 -2.322 15.141 -11.907 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.270 17.141 -13.761 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.503 14.737 -14.264 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.013 14.201 -13.553 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.312 15.251 -15.259 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.302 16.605 -17.056 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.051 17.339 -15.455 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.718 16.474 -16.256 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.465 14.159 -17.297 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.886 13.927 -16.511 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.327 13.101 -15.873 1.00 0.00 H new ATOM 141 N ASN A 10 -5.683 17.407 -13.280 1.00 0.00 N ATOM 142 CA ASN A 10 -7.051 17.733 -12.889 1.00 0.00 C ATOM 143 C ASN A 10 -7.783 18.414 -14.043 1.00 0.00 C ATOM 144 O ASN A 10 -7.350 19.455 -14.535 1.00 0.00 O ATOM 145 CB ASN A 10 -7.058 18.635 -11.650 1.00 0.00 C ATOM 146 CG ASN A 10 -6.492 20.015 -11.922 1.00 0.00 C ATOM 147 OD1 ASN A 10 -7.129 20.845 -12.569 1.00 0.00 O ATOM 148 ND2 ASN A 10 -5.287 20.270 -11.421 1.00 0.00 N ATOM 0 H ASN A 10 -5.340 17.939 -14.080 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.569 16.806 -12.643 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.080 18.733 -11.284 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.479 18.160 -10.858 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.857 21.183 -11.568 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.793 19.553 -10.890 1.00 0.00 H new ATOM 155 N VAL A 11 -8.887 17.815 -14.481 1.00 0.00 N ATOM 156 CA VAL A 11 -9.665 18.368 -15.586 1.00 0.00 C ATOM 157 C VAL A 11 -10.688 19.391 -15.100 1.00 0.00 C ATOM 158 O VAL A 11 -11.502 19.109 -14.221 1.00 0.00 O ATOM 159 CB VAL A 11 -10.389 17.263 -16.385 1.00 0.00 C ATOM 160 CG1 VAL A 11 -9.404 16.197 -16.838 1.00 0.00 C ATOM 161 CG2 VAL A 11 -11.514 16.644 -15.570 1.00 0.00 C ATOM 0 H VAL A 11 -9.262 16.951 -14.090 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.952 18.867 -16.242 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.830 17.722 -17.269 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.934 15.427 -17.399 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.643 16.651 -17.473 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.928 15.748 -15.967 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -12.006 15.869 -16.158 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.105 16.204 -14.660 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.239 17.414 -15.306 1.00 0.00 H new ATOM 171 N THR A 12 -10.644 20.580 -15.694 1.00 0.00 N ATOM 172 CA THR A 12 -11.565 21.654 -15.345 1.00 0.00 C ATOM 173 C THR A 12 -12.252 22.184 -16.591 1.00 0.00 C ATOM 174 O THR A 12 -11.604 22.626 -17.540 1.00 0.00 O ATOM 175 CB THR A 12 -10.829 22.783 -14.623 1.00 0.00 C ATOM 176 OG1 THR A 12 -10.133 23.600 -15.547 1.00 0.00 O ATOM 177 CG2 THR A 12 -9.827 22.287 -13.602 1.00 0.00 C ATOM 0 H THR A 12 -9.975 20.824 -16.424 1.00 0.00 H new ATOM 0 HA THR A 12 -12.322 21.252 -14.672 1.00 0.00 H new ATOM 0 HB THR A 12 -11.604 23.347 -14.104 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.369 23.335 -16.460 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.340 23.138 -13.126 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.341 21.694 -12.846 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.077 21.671 -14.098 1.00 0.00 H new ATOM 185 N LYS A 13 -13.571 22.115 -16.578 1.00 0.00 N ATOM 186 CA LYS A 13 -14.376 22.566 -17.709 1.00 0.00 C ATOM 187 C LYS A 13 -14.778 24.031 -17.565 1.00 0.00 C ATOM 188 O LYS A 13 -14.587 24.644 -16.515 1.00 0.00 O ATOM 189 CB LYS A 13 -15.623 21.689 -17.856 1.00 0.00 C ATOM 190 CG LYS A 13 -16.722 22.003 -16.853 1.00 0.00 C ATOM 191 CD LYS A 13 -17.702 20.850 -16.720 1.00 0.00 C ATOM 192 CE LYS A 13 -19.099 21.253 -17.165 1.00 0.00 C ATOM 193 NZ LYS A 13 -19.829 21.998 -16.102 1.00 0.00 N ATOM 0 H LYS A 13 -14.113 21.750 -15.795 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.765 22.475 -18.607 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -16.021 21.807 -18.864 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.334 20.644 -17.748 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.278 22.218 -15.881 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.255 22.901 -17.166 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.357 20.007 -17.319 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.732 20.514 -15.684 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.030 21.872 -18.060 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -19.664 20.362 -17.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.777 22.254 -16.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -19.918 21.399 -15.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -19.303 22.862 -15.860 1.00 0.00 H new ATOM 207 N ASP A 14 -15.345 24.580 -18.636 1.00 0.00 N ATOM 208 CA ASP A 14 -15.788 25.968 -18.651 1.00 0.00 C ATOM 209 C ASP A 14 -16.840 26.178 -19.734 1.00 0.00 C ATOM 210 O ASP A 14 -16.856 27.205 -20.412 1.00 0.00 O ATOM 211 CB ASP A 14 -14.601 26.904 -18.887 1.00 0.00 C ATOM 212 CG ASP A 14 -13.455 26.639 -17.929 1.00 0.00 C ATOM 213 OD1 ASP A 14 -12.603 25.784 -18.247 1.00 0.00 O ATOM 214 OD2 ASP A 14 -13.412 27.285 -16.861 1.00 0.00 O ATOM 0 H ASP A 14 -15.509 24.079 -19.510 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.230 26.198 -17.682 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.248 26.788 -19.912 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.930 27.938 -18.779 1.00 0.00 H new ATOM 219 N GLY A 15 -17.712 25.188 -19.895 1.00 0.00 N ATOM 220 CA GLY A 15 -18.753 25.267 -20.902 1.00 0.00 C ATOM 221 C GLY A 15 -18.610 24.180 -21.947 1.00 0.00 C ATOM 222 O GLY A 15 -18.345 24.463 -23.115 1.00 0.00 O ATOM 0 H GLY A 15 -17.716 24.330 -19.344 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.729 25.184 -20.423 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.717 26.243 -21.386 1.00 0.00 H new ATOM 226 N ASP A 16 -18.775 22.929 -21.521 1.00 0.00 N ATOM 227 CA ASP A 16 -18.653 21.778 -22.416 1.00 0.00 C ATOM 228 C ASP A 16 -17.187 21.424 -22.645 1.00 0.00 C ATOM 229 O ASP A 16 -16.764 20.295 -22.395 1.00 0.00 O ATOM 230 CB ASP A 16 -19.341 22.052 -23.759 1.00 0.00 C ATOM 231 CG ASP A 16 -20.695 22.710 -23.591 1.00 0.00 C ATOM 232 OD1 ASP A 16 -21.299 22.560 -22.508 1.00 0.00 O ATOM 233 OD2 ASP A 16 -21.153 23.377 -24.543 1.00 0.00 O ATOM 0 H ASP A 16 -18.995 22.685 -20.555 1.00 0.00 H new ATOM 0 HA ASP A 16 -19.148 20.932 -21.938 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -18.702 22.692 -24.367 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -19.461 21.114 -24.301 1.00 0.00 H new ATOM 238 N SER A 17 -16.415 22.396 -23.119 1.00 0.00 N ATOM 239 CA SER A 17 -14.995 22.187 -23.379 1.00 0.00 C ATOM 240 C SER A 17 -14.224 22.018 -22.074 1.00 0.00 C ATOM 241 O SER A 17 -14.266 22.886 -21.201 1.00 0.00 O ATOM 242 CB SER A 17 -14.426 23.361 -24.177 1.00 0.00 C ATOM 243 OG SER A 17 -14.255 23.013 -25.540 1.00 0.00 O ATOM 0 H SER A 17 -16.749 23.336 -23.331 1.00 0.00 H new ATOM 0 HA SER A 17 -14.886 21.274 -23.964 1.00 0.00 H new ATOM 0 HB2 SER A 17 -15.095 24.218 -24.098 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.469 23.664 -23.752 1.00 0.00 H new ATOM 0 HG SER A 17 -13.892 23.780 -26.030 1.00 0.00 H new ATOM 249 N TYR A 18 -13.527 20.895 -21.945 1.00 0.00 N ATOM 250 CA TYR A 18 -12.753 20.608 -20.743 1.00 0.00 C ATOM 251 C TYR A 18 -11.284 20.981 -20.931 1.00 0.00 C ATOM 252 O TYR A 18 -10.826 21.209 -22.051 1.00 0.00 O ATOM 253 CB TYR A 18 -12.873 19.129 -20.376 1.00 0.00 C ATOM 254 CG TYR A 18 -14.203 18.763 -19.757 1.00 0.00 C ATOM 255 CD1 TYR A 18 -15.354 18.684 -20.532 1.00 0.00 C ATOM 256 CD2 TYR A 18 -14.309 18.496 -18.397 1.00 0.00 C ATOM 257 CE1 TYR A 18 -16.571 18.350 -19.969 1.00 0.00 C ATOM 258 CE2 TYR A 18 -15.523 18.159 -17.828 1.00 0.00 C ATOM 259 CZ TYR A 18 -16.651 18.089 -18.618 1.00 0.00 C ATOM 260 OH TYR A 18 -17.862 17.755 -18.054 1.00 0.00 O ATOM 0 H TYR A 18 -13.482 20.168 -22.659 1.00 0.00 H new ATOM 0 HA TYR A 18 -13.158 21.212 -19.931 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.722 18.528 -21.272 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.075 18.870 -19.680 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -15.296 18.887 -21.591 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -13.428 18.553 -17.774 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -17.456 18.294 -20.585 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -15.588 17.952 -16.770 1.00 0.00 H new ATOM 0 HH TYR A 18 -17.822 16.837 -17.713 1.00 0.00 H new ATOM 270 N SER A 19 -10.550 21.036 -19.822 1.00 0.00 N ATOM 271 CA SER A 19 -9.131 21.377 -19.851 1.00 0.00 C ATOM 272 C SER A 19 -8.440 20.895 -18.581 1.00 0.00 C ATOM 273 O SER A 19 -8.948 21.090 -17.478 1.00 0.00 O ATOM 274 CB SER A 19 -8.947 22.888 -20.001 1.00 0.00 C ATOM 275 OG SER A 19 -10.056 23.592 -19.468 1.00 0.00 O ATOM 0 H SER A 19 -10.917 20.848 -18.889 1.00 0.00 H new ATOM 0 HA SER A 19 -8.678 20.879 -20.709 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.035 23.199 -19.491 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.824 23.140 -21.054 1.00 0.00 H new ATOM 0 HG SER A 19 -10.300 23.209 -18.600 1.00 0.00 H new ATOM 281 N LEU A 20 -7.284 20.259 -18.737 1.00 0.00 N ATOM 282 CA LEU A 20 -6.540 19.748 -17.591 1.00 0.00 C ATOM 283 C LEU A 20 -5.673 20.838 -16.972 1.00 0.00 C ATOM 284 O LEU A 20 -5.495 21.908 -17.552 1.00 0.00 O ATOM 285 CB LEU A 20 -5.663 18.555 -17.990 1.00 0.00 C ATOM 286 CG LEU A 20 -6.004 17.889 -19.328 1.00 0.00 C ATOM 287 CD1 LEU A 20 -5.209 16.603 -19.498 1.00 0.00 C ATOM 288 CD2 LEU A 20 -7.495 17.603 -19.425 1.00 0.00 C ATOM 0 H LEU A 20 -6.844 20.086 -19.640 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.269 19.416 -16.852 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.626 18.888 -18.026 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.729 17.802 -17.205 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.734 18.577 -20.129 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.462 16.142 -20.453 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.143 16.829 -19.476 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.451 15.916 -18.688 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.713 17.131 -20.383 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.791 16.936 -18.615 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.051 18.537 -19.346 1.00 0.00 H new ATOM 300 N ARG A 21 -5.136 20.555 -15.789 1.00 0.00 N ATOM 301 CA ARG A 21 -4.284 21.506 -15.084 1.00 0.00 C ATOM 302 C ARG A 21 -3.203 20.781 -14.292 1.00 0.00 C ATOM 303 O ARG A 21 -3.320 20.593 -13.082 1.00 0.00 O ATOM 304 CB ARG A 21 -5.120 22.373 -14.149 1.00 0.00 C ATOM 305 CG ARG A 21 -5.112 23.849 -14.512 1.00 0.00 C ATOM 306 CD ARG A 21 -5.582 24.709 -13.350 1.00 0.00 C ATOM 307 NE ARG A 21 -6.145 25.977 -13.802 1.00 0.00 N ATOM 308 CZ ARG A 21 -5.408 27.023 -14.160 1.00 0.00 C ATOM 309 NH1 ARG A 21 -4.085 26.952 -14.108 1.00 0.00 N ATOM 310 NH2 ARG A 21 -5.993 28.140 -14.569 1.00 0.00 N ATOM 0 H ARG A 21 -5.277 19.672 -15.298 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.802 22.144 -15.825 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.148 22.012 -14.156 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.748 22.257 -13.131 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.105 24.148 -14.804 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.757 24.017 -15.375 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.331 24.164 -12.775 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.744 24.902 -12.680 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.160 26.065 -13.846 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.632 26.094 -13.793 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.520 27.755 -14.383 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.011 28.198 -14.609 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.426 28.942 -14.843 1.00 0.00 H new ATOM 324 N TRP A 22 -2.155 20.378 -14.993 1.00 0.00 N ATOM 325 CA TRP A 22 -1.039 19.670 -14.375 1.00 0.00 C ATOM 326 C TRP A 22 0.097 20.633 -14.036 1.00 0.00 C ATOM 327 O TRP A 22 0.696 21.235 -14.926 1.00 0.00 O ATOM 328 CB TRP A 22 -0.530 18.568 -15.308 1.00 0.00 C ATOM 329 CG TRP A 22 -0.117 19.075 -16.657 1.00 0.00 C ATOM 330 CD1 TRP A 22 1.095 19.596 -16.999 1.00 0.00 C ATOM 331 CD2 TRP A 22 -0.917 19.109 -17.844 1.00 0.00 C ATOM 332 NE1 TRP A 22 1.097 19.957 -18.326 1.00 0.00 N ATOM 333 CE2 TRP A 22 -0.127 19.666 -18.866 1.00 0.00 C ATOM 334 CE3 TRP A 22 -2.224 18.723 -18.141 1.00 0.00 C ATOM 335 CZ2 TRP A 22 -0.607 19.844 -20.161 1.00 0.00 C ATOM 336 CZ3 TRP A 22 -2.695 18.900 -19.426 1.00 0.00 C ATOM 337 CH2 TRP A 22 -1.892 19.455 -20.420 1.00 0.00 C ATOM 0 H TRP A 22 -2.052 20.529 -15.996 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.394 19.218 -13.449 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.319 18.069 -14.840 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.311 17.818 -15.433 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.932 19.709 -16.326 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.882 20.374 -18.826 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.857 18.293 -17.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.014 20.274 -20.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.705 18.603 -19.666 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -2.292 19.581 -21.415 1.00 0.00 H new ATOM 348 N GLU A 23 0.387 20.775 -12.746 1.00 0.00 N ATOM 349 CA GLU A 23 1.452 21.668 -12.298 1.00 0.00 C ATOM 350 C GLU A 23 2.610 20.877 -11.698 1.00 0.00 C ATOM 351 O GLU A 23 2.402 19.979 -10.881 1.00 0.00 O ATOM 352 CB GLU A 23 0.915 22.668 -11.272 1.00 0.00 C ATOM 353 CG GLU A 23 1.283 24.112 -11.576 1.00 0.00 C ATOM 354 CD GLU A 23 0.102 24.924 -12.074 1.00 0.00 C ATOM 355 OE1 GLU A 23 -1.037 24.636 -11.652 1.00 0.00 O ATOM 356 OE2 GLU A 23 0.318 25.848 -12.887 1.00 0.00 O ATOM 0 H GLU A 23 -0.098 20.285 -11.994 1.00 0.00 H new ATOM 0 HA GLU A 23 1.820 22.214 -13.166 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.171 22.581 -11.226 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.298 22.405 -10.286 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.685 24.577 -10.676 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.074 24.131 -12.326 1.00 0.00 H new ATOM 363 N THR A 24 3.828 21.216 -12.108 1.00 0.00 N ATOM 364 CA THR A 24 5.019 20.536 -11.611 1.00 0.00 C ATOM 365 C THR A 24 5.678 21.336 -10.493 1.00 0.00 C ATOM 366 O THR A 24 5.432 22.534 -10.346 1.00 0.00 O ATOM 367 CB THR A 24 6.017 20.313 -12.747 1.00 0.00 C ATOM 368 OG1 THR A 24 5.911 21.339 -13.718 1.00 0.00 O ATOM 369 CG2 THR A 24 5.830 18.989 -13.453 1.00 0.00 C ATOM 0 H THR A 24 4.016 21.957 -12.783 1.00 0.00 H new ATOM 0 HA THR A 24 4.712 19.570 -11.210 1.00 0.00 H new ATOM 0 HB THR A 24 6.999 20.319 -12.275 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.219 22.186 -13.333 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.569 18.893 -14.248 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.957 18.175 -12.739 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.829 18.943 -13.881 1.00 0.00 H new ATOM 377 N MET A 25 6.515 20.667 -9.709 1.00 0.00 N ATOM 378 CA MET A 25 7.210 21.316 -8.604 1.00 0.00 C ATOM 379 C MET A 25 8.150 20.340 -7.903 1.00 0.00 C ATOM 380 O MET A 25 8.279 20.358 -6.679 1.00 0.00 O ATOM 381 CB MET A 25 6.202 21.877 -7.600 1.00 0.00 C ATOM 382 CG MET A 25 5.408 20.805 -6.872 1.00 0.00 C ATOM 383 SD MET A 25 3.879 20.372 -7.723 1.00 0.00 S ATOM 384 CE MET A 25 2.977 21.915 -7.610 1.00 0.00 C ATOM 0 H MET A 25 6.729 19.676 -9.818 1.00 0.00 H new ATOM 0 HA MET A 25 7.803 22.135 -9.012 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.732 22.486 -6.867 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.510 22.538 -8.123 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.024 19.912 -6.765 1.00 0.00 H new ATOM 0 HG3 MET A 25 5.173 21.153 -5.866 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.906 21.713 -7.634 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.231 22.417 -6.677 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.244 22.555 -8.451 1.00 0.00 H new ATOM 394 N LYS A 26 8.804 19.487 -8.685 1.00 0.00 N ATOM 395 CA LYS A 26 9.730 18.505 -8.132 1.00 0.00 C ATOM 396 C LYS A 26 11.152 18.728 -8.645 1.00 0.00 C ATOM 397 O LYS A 26 12.008 17.853 -8.517 1.00 0.00 O ATOM 398 CB LYS A 26 9.268 17.089 -8.482 1.00 0.00 C ATOM 399 CG LYS A 26 8.148 16.579 -7.593 1.00 0.00 C ATOM 400 CD LYS A 26 6.782 16.957 -8.143 1.00 0.00 C ATOM 401 CE LYS A 26 6.317 15.977 -9.208 1.00 0.00 C ATOM 402 NZ LYS A 26 6.012 16.658 -10.496 1.00 0.00 N ATOM 0 H LYS A 26 8.710 19.456 -9.700 1.00 0.00 H new ATOM 0 HA LYS A 26 9.737 18.627 -7.049 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.934 17.071 -9.520 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.117 16.410 -8.408 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.218 15.495 -7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.263 16.989 -6.590 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.056 16.983 -7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.824 17.961 -8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.088 15.224 -9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.429 15.453 -8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.981 15.955 -11.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.091 17.136 -10.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.751 17.360 -10.701 1.00 0.00 H new ATOM 416 N MET A 27 11.402 19.899 -9.225 1.00 0.00 N ATOM 417 CA MET A 27 12.724 20.222 -9.752 1.00 0.00 C ATOM 418 C MET A 27 13.034 21.705 -9.575 1.00 0.00 C ATOM 419 O MET A 27 13.904 22.077 -8.788 1.00 0.00 O ATOM 420 CB MET A 27 12.827 19.837 -11.235 1.00 0.00 C ATOM 421 CG MET A 27 11.491 19.803 -11.964 1.00 0.00 C ATOM 422 SD MET A 27 10.674 18.199 -11.848 1.00 0.00 S ATOM 423 CE MET A 27 9.048 18.600 -12.486 1.00 0.00 C ATOM 0 H MET A 27 10.708 20.638 -9.342 1.00 0.00 H new ATOM 0 HA MET A 27 13.457 19.645 -9.188 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.485 20.546 -11.738 1.00 0.00 H new ATOM 0 HB3 MET A 27 13.296 18.856 -11.313 1.00 0.00 H new ATOM 0 HG2 MET A 27 10.837 20.570 -11.550 1.00 0.00 H new ATOM 0 HG3 MET A 27 11.648 20.051 -13.014 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.290 18.069 -11.910 1.00 0.00 H new ATOM 0 HE2 MET A 27 8.880 19.674 -12.404 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.984 18.302 -13.532 1.00 0.00 H new ATOM 433 N ARG A 28 12.316 22.548 -10.310 1.00 0.00 N ATOM 434 CA ARG A 28 12.513 23.989 -10.233 1.00 0.00 C ATOM 435 C ARG A 28 13.960 24.361 -10.547 1.00 0.00 C ATOM 436 O ARG A 28 14.505 25.305 -9.977 1.00 0.00 O ATOM 437 CB ARG A 28 12.136 24.505 -8.842 1.00 0.00 C ATOM 438 CG ARG A 28 10.878 23.868 -8.272 1.00 0.00 C ATOM 439 CD ARG A 28 10.238 24.750 -7.213 1.00 0.00 C ATOM 440 NE ARG A 28 11.120 24.959 -6.067 1.00 0.00 N ATOM 441 CZ ARG A 28 10.978 25.956 -5.198 1.00 0.00 C ATOM 442 NH1 ARG A 28 9.992 26.831 -5.346 1.00 0.00 N ATOM 443 NH2 ARG A 28 11.820 26.078 -4.181 1.00 0.00 N ATOM 0 H ARG A 28 11.592 22.256 -10.966 1.00 0.00 H new ATOM 0 HA ARG A 28 11.866 24.456 -10.976 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.966 24.322 -8.159 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.995 25.585 -8.891 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.164 23.687 -9.076 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.124 22.898 -7.839 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.980 25.714 -7.652 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.307 24.294 -6.876 1.00 0.00 H new ATOM 0 HE ARG A 28 11.888 24.303 -5.925 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.342 26.740 -6.127 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.884 27.595 -4.679 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.579 25.406 -4.064 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.709 26.843 -3.516 1.00 0.00 H new ATOM 457 N TYR A 29 14.576 23.614 -11.460 1.00 0.00 N ATOM 458 CA TYR A 29 15.959 23.873 -11.847 1.00 0.00 C ATOM 459 C TYR A 29 16.059 25.148 -12.678 1.00 0.00 C ATOM 460 O TYR A 29 16.992 25.934 -12.518 1.00 0.00 O ATOM 461 CB TYR A 29 16.526 22.691 -12.642 1.00 0.00 C ATOM 462 CG TYR A 29 16.513 21.381 -11.884 1.00 0.00 C ATOM 463 CD1 TYR A 29 17.012 21.300 -10.591 1.00 0.00 C ATOM 464 CD2 TYR A 29 16.004 20.225 -12.465 1.00 0.00 C ATOM 465 CE1 TYR A 29 17.004 20.105 -9.896 1.00 0.00 C ATOM 466 CE2 TYR A 29 15.992 19.027 -11.776 1.00 0.00 C ATOM 467 CZ TYR A 29 16.494 18.972 -10.493 1.00 0.00 C ATOM 468 OH TYR A 29 16.484 17.781 -9.805 1.00 0.00 O ATOM 0 H TYR A 29 14.141 22.828 -11.943 1.00 0.00 H new ATOM 0 HA TYR A 29 16.544 24.001 -10.936 1.00 0.00 H new ATOM 0 HB2 TYR A 29 15.951 22.574 -13.561 1.00 0.00 H new ATOM 0 HB3 TYR A 29 17.551 22.920 -12.935 1.00 0.00 H new ATOM 0 HD1 TYR A 29 17.413 22.185 -10.120 1.00 0.00 H new ATOM 0 HD2 TYR A 29 15.612 20.264 -13.471 1.00 0.00 H new ATOM 0 HE1 TYR A 29 17.395 20.059 -8.890 1.00 0.00 H new ATOM 0 HE2 TYR A 29 15.591 18.138 -12.240 1.00 0.00 H new ATOM 0 HH TYR A 29 16.090 17.082 -10.367 1.00 0.00 H new ATOM 478 N GLU A 30 15.092 25.339 -13.570 1.00 0.00 N ATOM 479 CA GLU A 30 15.067 26.509 -14.439 1.00 0.00 C ATOM 480 C GLU A 30 13.899 26.409 -15.421 1.00 0.00 C ATOM 481 O GLU A 30 12.875 25.802 -15.106 1.00 0.00 O ATOM 482 CB GLU A 30 16.394 26.618 -15.192 1.00 0.00 C ATOM 483 CG GLU A 30 16.925 28.040 -15.286 1.00 0.00 C ATOM 484 CD GLU A 30 17.043 28.707 -13.930 1.00 0.00 C ATOM 485 OE1 GLU A 30 18.098 28.549 -13.280 1.00 0.00 O ATOM 486 OE2 GLU A 30 16.081 29.388 -13.517 1.00 0.00 O ATOM 0 H GLU A 30 14.313 24.696 -13.710 1.00 0.00 H new ATOM 0 HA GLU A 30 14.931 27.405 -13.834 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.137 25.994 -14.695 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.265 26.220 -16.198 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.903 28.028 -15.768 1.00 0.00 H new ATOM 0 HG3 GLU A 30 16.264 28.630 -15.921 1.00 0.00 H new ATOM 493 N HIS A 31 14.049 26.990 -16.612 1.00 0.00 N ATOM 494 CA HIS A 31 12.996 26.932 -17.618 1.00 0.00 C ATOM 495 C HIS A 31 12.841 25.504 -18.133 1.00 0.00 C ATOM 496 O HIS A 31 11.752 25.077 -18.517 1.00 0.00 O ATOM 497 CB HIS A 31 13.307 27.884 -18.776 1.00 0.00 C ATOM 498 CG HIS A 31 13.126 29.331 -18.432 1.00 0.00 C ATOM 499 ND1 HIS A 31 12.990 30.322 -19.383 1.00 0.00 N ATOM 500 CD2 HIS A 31 13.059 29.955 -17.231 1.00 0.00 C ATOM 501 CE1 HIS A 31 12.848 31.491 -18.783 1.00 0.00 C ATOM 502 NE2 HIS A 31 12.886 31.295 -17.478 1.00 0.00 N ATOM 0 H HIS A 31 14.883 27.501 -16.899 1.00 0.00 H new ATOM 0 HA HIS A 31 12.058 27.244 -17.159 1.00 0.00 H new ATOM 0 HB2 HIS A 31 14.335 27.723 -19.101 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.663 27.637 -19.620 1.00 0.00 H new ATOM 0 HD2 HIS A 31 13.129 29.486 -16.261 1.00 0.00 H new ATOM 0 HE1 HIS A 31 12.722 32.444 -19.276 1.00 0.00 H new ATOM 0 HE2 HIS A 31 12.801 32.022 -16.767 1.00 0.00 H new ATOM 511 N ILE A 32 13.951 24.774 -18.124 1.00 0.00 N ATOM 512 CA ILE A 32 13.989 23.379 -18.574 1.00 0.00 C ATOM 513 C ILE A 32 13.185 23.176 -19.858 1.00 0.00 C ATOM 514 O ILE A 32 12.762 24.137 -20.500 1.00 0.00 O ATOM 515 CB ILE A 32 13.475 22.390 -17.499 1.00 0.00 C ATOM 516 CG1 ILE A 32 13.440 23.037 -16.111 1.00 0.00 C ATOM 517 CG2 ILE A 32 14.353 21.149 -17.470 1.00 0.00 C ATOM 518 CD1 ILE A 32 12.904 22.123 -15.032 1.00 0.00 C ATOM 0 H ILE A 32 14.853 25.129 -17.805 1.00 0.00 H new ATOM 0 HA ILE A 32 15.040 23.165 -18.766 1.00 0.00 H new ATOM 0 HB ILE A 32 12.456 22.109 -17.765 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.448 23.353 -15.841 1.00 0.00 H new ATOM 0 HG13 ILE A 32 12.825 23.936 -16.153 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.984 20.460 -16.711 1.00 0.00 H new ATOM 0 HG22 ILE A 32 14.328 20.663 -18.445 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.378 21.434 -17.233 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.908 22.647 -14.076 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.885 21.827 -15.279 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.533 21.235 -14.962 1.00 0.00 H new ATOM 530 N ASP A 33 12.991 21.912 -20.229 1.00 0.00 N ATOM 531 CA ASP A 33 12.250 21.565 -21.439 1.00 0.00 C ATOM 532 C ASP A 33 11.100 20.605 -21.137 1.00 0.00 C ATOM 533 O ASP A 33 10.576 19.962 -22.048 1.00 0.00 O ATOM 534 CB ASP A 33 13.197 20.926 -22.449 1.00 0.00 C ATOM 535 CG ASP A 33 13.322 21.734 -23.725 1.00 0.00 C ATOM 536 OD1 ASP A 33 14.167 22.654 -23.766 1.00 0.00 O ATOM 537 OD2 ASP A 33 12.573 21.449 -24.684 1.00 0.00 O ATOM 0 H ASP A 33 13.339 21.108 -19.706 1.00 0.00 H new ATOM 0 HA ASP A 33 11.825 22.481 -21.850 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.182 20.814 -21.997 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.842 19.924 -22.691 1.00 0.00 H new ATOM 542 N HIS A 34 10.730 20.509 -19.854 1.00 0.00 N ATOM 543 CA HIS A 34 9.646 19.625 -19.381 1.00 0.00 C ATOM 544 C HIS A 34 8.637 19.277 -20.477 1.00 0.00 C ATOM 545 O HIS A 34 7.611 19.942 -20.621 1.00 0.00 O ATOM 546 CB HIS A 34 8.890 20.277 -18.218 1.00 0.00 C ATOM 547 CG HIS A 34 9.542 20.107 -16.885 1.00 0.00 C ATOM 548 ND1 HIS A 34 9.792 21.163 -16.033 1.00 0.00 N ATOM 549 CD2 HIS A 34 9.968 18.997 -16.241 1.00 0.00 C ATOM 550 CE1 HIS A 34 10.345 20.707 -14.924 1.00 0.00 C ATOM 551 NE2 HIS A 34 10.461 19.398 -15.026 1.00 0.00 N ATOM 0 H HIS A 34 11.174 21.043 -19.107 1.00 0.00 H new ATOM 0 HA HIS A 34 10.130 18.703 -19.059 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.782 21.342 -18.423 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.885 19.857 -18.173 1.00 0.00 H new ATOM 0 HD1 HIS A 34 9.583 22.142 -16.229 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.928 17.984 -16.614 1.00 0.00 H new ATOM 0 HE1 HIS A 34 10.650 21.305 -14.078 1.00 0.00 H new ATOM 560 N THR A 35 8.925 18.225 -21.234 1.00 0.00 N ATOM 561 CA THR A 35 8.029 17.791 -22.299 1.00 0.00 C ATOM 562 C THR A 35 6.902 16.939 -21.724 1.00 0.00 C ATOM 563 O THR A 35 7.147 15.882 -21.142 1.00 0.00 O ATOM 564 CB THR A 35 8.793 17.007 -23.365 1.00 0.00 C ATOM 565 OG1 THR A 35 10.192 17.146 -23.186 1.00 0.00 O ATOM 566 CG2 THR A 35 8.463 17.449 -24.773 1.00 0.00 C ATOM 0 H THR A 35 9.767 17.659 -21.131 1.00 0.00 H new ATOM 0 HA THR A 35 7.599 18.676 -22.768 1.00 0.00 H new ATOM 0 HB THR A 35 8.484 15.969 -23.242 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.501 16.504 -22.513 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.037 16.855 -25.485 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.398 17.308 -24.958 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.716 18.503 -24.892 1.00 0.00 H new ATOM 574 N PHE A 36 5.669 17.412 -21.873 1.00 0.00 N ATOM 575 CA PHE A 36 4.510 16.699 -21.348 1.00 0.00 C ATOM 576 C PHE A 36 3.733 15.984 -22.447 1.00 0.00 C ATOM 577 O PHE A 36 3.446 16.558 -23.498 1.00 0.00 O ATOM 578 CB PHE A 36 3.581 17.670 -20.620 1.00 0.00 C ATOM 579 CG PHE A 36 4.235 18.386 -19.475 1.00 0.00 C ATOM 580 CD1 PHE A 36 4.919 19.571 -19.687 1.00 0.00 C ATOM 581 CD2 PHE A 36 4.164 17.876 -18.189 1.00 0.00 C ATOM 582 CE1 PHE A 36 5.522 20.237 -18.637 1.00 0.00 C ATOM 583 CE2 PHE A 36 4.764 18.536 -17.134 1.00 0.00 C ATOM 584 CZ PHE A 36 5.444 19.718 -17.358 1.00 0.00 C ATOM 0 H PHE A 36 5.447 18.285 -22.352 1.00 0.00 H new ATOM 0 HA PHE A 36 4.881 15.946 -20.653 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.209 18.406 -21.332 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.716 17.121 -20.247 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.982 19.980 -20.685 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.634 16.952 -18.009 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.053 21.161 -18.815 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.702 18.129 -16.136 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.914 20.236 -16.535 1.00 0.00 H new ATOM 594 N GLU A 37 3.372 14.733 -22.179 1.00 0.00 N ATOM 595 CA GLU A 37 2.600 13.934 -23.122 1.00 0.00 C ATOM 596 C GLU A 37 1.192 13.723 -22.581 1.00 0.00 C ATOM 597 O GLU A 37 0.996 12.974 -21.629 1.00 0.00 O ATOM 598 CB GLU A 37 3.274 12.581 -23.363 1.00 0.00 C ATOM 599 CG GLU A 37 3.745 12.383 -24.794 1.00 0.00 C ATOM 600 CD GLU A 37 4.582 11.129 -24.964 1.00 0.00 C ATOM 601 OE1 GLU A 37 5.208 10.694 -23.975 1.00 0.00 O ATOM 602 OE2 GLU A 37 4.611 10.583 -26.087 1.00 0.00 O ATOM 0 H GLU A 37 3.604 14.249 -21.311 1.00 0.00 H new ATOM 0 HA GLU A 37 2.549 14.467 -24.071 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.127 12.485 -22.692 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.575 11.785 -23.106 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.879 12.330 -25.454 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.329 13.250 -25.104 1.00 0.00 H new ATOM 609 N ILE A 38 0.218 14.399 -23.176 1.00 0.00 N ATOM 610 CA ILE A 38 -1.165 14.290 -22.727 1.00 0.00 C ATOM 611 C ILE A 38 -1.909 13.183 -23.474 1.00 0.00 C ATOM 612 O ILE A 38 -1.789 13.044 -24.691 1.00 0.00 O ATOM 613 CB ILE A 38 -1.914 15.639 -22.895 1.00 0.00 C ATOM 614 CG1 ILE A 38 -1.386 16.671 -21.893 1.00 0.00 C ATOM 615 CG2 ILE A 38 -3.421 15.468 -22.718 1.00 0.00 C ATOM 616 CD1 ILE A 38 0.115 16.861 -21.940 1.00 0.00 C ATOM 0 H ILE A 38 0.358 15.027 -23.968 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.141 14.033 -21.668 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.730 15.994 -23.909 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.870 17.629 -22.084 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.672 16.365 -20.887 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.914 16.432 -22.842 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.798 14.769 -23.465 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.629 15.080 -21.721 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.411 17.607 -21.202 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.609 15.915 -21.718 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.408 17.198 -22.934 1.00 0.00 H new ATOM 628 N GLN A 39 -2.687 12.405 -22.726 1.00 0.00 N ATOM 629 CA GLN A 39 -3.468 11.315 -23.297 1.00 0.00 C ATOM 630 C GLN A 39 -4.824 11.221 -22.605 1.00 0.00 C ATOM 631 O GLN A 39 -4.913 11.334 -21.383 1.00 0.00 O ATOM 632 CB GLN A 39 -2.720 9.989 -23.165 1.00 0.00 C ATOM 633 CG GLN A 39 -3.147 8.950 -24.189 1.00 0.00 C ATOM 634 CD GLN A 39 -2.084 7.897 -24.437 1.00 0.00 C ATOM 635 OE1 GLN A 39 -2.241 6.737 -24.054 1.00 0.00 O ATOM 636 NE2 GLN A 39 -0.994 8.297 -25.080 1.00 0.00 N ATOM 0 H GLN A 39 -2.793 12.512 -21.717 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.623 11.521 -24.356 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.650 10.172 -23.268 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.880 9.589 -22.164 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.061 8.464 -23.847 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.384 9.449 -25.129 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.906 9.268 -25.379 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.244 7.633 -25.275 1.00 0.00 H new ATOM 645 N TYR A 40 -5.883 11.028 -23.387 1.00 0.00 N ATOM 646 CA TYR A 40 -7.226 10.938 -22.827 1.00 0.00 C ATOM 647 C TYR A 40 -8.084 9.911 -23.558 1.00 0.00 C ATOM 648 O TYR A 40 -8.340 10.034 -24.756 1.00 0.00 O ATOM 649 CB TYR A 40 -7.909 12.306 -22.870 1.00 0.00 C ATOM 650 CG TYR A 40 -7.720 13.042 -24.178 1.00 0.00 C ATOM 651 CD1 TYR A 40 -6.460 13.465 -24.584 1.00 0.00 C ATOM 652 CD2 TYR A 40 -8.802 13.316 -25.005 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.285 14.139 -25.777 1.00 0.00 C ATOM 654 CE2 TYR A 40 -8.634 13.989 -26.199 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.375 14.399 -26.580 1.00 0.00 C ATOM 656 OH TYR A 40 -7.205 15.071 -27.768 1.00 0.00 O ATOM 0 H TYR A 40 -5.837 10.932 -24.401 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.124 10.610 -21.792 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -8.976 12.175 -22.688 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.521 12.921 -22.058 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.604 13.264 -23.957 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -9.791 12.997 -24.709 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.299 14.461 -26.079 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.485 14.193 -26.831 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.366 15.577 -27.740 1.00 0.00 H new ATOM 666 N ARG A 41 -8.543 8.909 -22.816 1.00 0.00 N ATOM 667 CA ARG A 41 -9.397 7.867 -23.372 1.00 0.00 C ATOM 668 C ARG A 41 -10.764 7.916 -22.699 1.00 0.00 C ATOM 669 O ARG A 41 -11.129 8.934 -22.113 1.00 0.00 O ATOM 670 CB ARG A 41 -8.757 6.486 -23.194 1.00 0.00 C ATOM 671 CG ARG A 41 -8.687 6.020 -21.749 1.00 0.00 C ATOM 672 CD ARG A 41 -9.355 4.666 -21.568 1.00 0.00 C ATOM 673 NE ARG A 41 -8.609 3.803 -20.657 1.00 0.00 N ATOM 674 CZ ARG A 41 -8.768 2.484 -20.595 1.00 0.00 C ATOM 675 NH1 ARG A 41 -9.636 1.881 -21.395 1.00 0.00 N ATOM 676 NH2 ARG A 41 -8.057 1.769 -19.733 1.00 0.00 N ATOM 0 H ARG A 41 -8.336 8.797 -21.823 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.519 8.042 -24.441 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.323 5.757 -23.773 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.749 6.508 -23.607 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.645 5.958 -21.436 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.170 6.755 -21.105 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.365 4.809 -21.185 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.448 4.176 -22.537 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.928 4.236 -20.033 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.183 2.429 -22.059 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.757 0.869 -21.346 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.388 2.231 -19.117 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.180 0.757 -19.686 1.00 0.00 H new ATOM 690 N LYS A 42 -11.520 6.828 -22.781 1.00 0.00 N ATOM 691 CA LYS A 42 -12.844 6.793 -22.169 1.00 0.00 C ATOM 692 C LYS A 42 -13.151 5.428 -21.567 1.00 0.00 C ATOM 693 O LYS A 42 -12.546 4.421 -21.930 1.00 0.00 O ATOM 694 CB LYS A 42 -13.911 7.170 -23.192 1.00 0.00 C ATOM 695 CG LYS A 42 -13.457 8.243 -24.161 1.00 0.00 C ATOM 696 CD LYS A 42 -14.522 8.539 -25.201 1.00 0.00 C ATOM 697 CE LYS A 42 -14.154 7.943 -26.546 1.00 0.00 C ATOM 698 NZ LYS A 42 -15.263 8.059 -27.531 1.00 0.00 N ATOM 0 H LYS A 42 -11.245 5.969 -23.258 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.852 7.522 -21.359 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.197 6.281 -23.753 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.802 7.516 -22.668 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.220 9.154 -23.612 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.541 7.923 -24.657 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.479 8.135 -24.871 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.648 9.617 -25.300 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.269 8.447 -26.936 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.892 6.893 -26.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.513 7.114 -27.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.092 8.487 -27.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.960 8.658 -28.326 1.00 0.00 H new ATOM 712 N ASP A 43 -14.102 5.416 -20.640 1.00 0.00 N ATOM 713 CA ASP A 43 -14.511 4.190 -19.966 1.00 0.00 C ATOM 714 C ASP A 43 -15.091 3.178 -20.955 1.00 0.00 C ATOM 715 O ASP A 43 -15.220 1.996 -20.634 1.00 0.00 O ATOM 716 CB ASP A 43 -15.537 4.527 -18.875 1.00 0.00 C ATOM 717 CG ASP A 43 -16.285 3.311 -18.352 1.00 0.00 C ATOM 718 OD1 ASP A 43 -17.181 2.813 -19.066 1.00 0.00 O ATOM 719 OD2 ASP A 43 -15.973 2.860 -17.230 1.00 0.00 O ATOM 0 H ASP A 43 -14.607 6.248 -20.337 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.633 3.733 -19.510 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -15.026 5.015 -18.045 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -16.256 5.243 -19.272 1.00 0.00 H new ATOM 724 N THR A 44 -15.443 3.638 -22.151 1.00 0.00 N ATOM 725 CA THR A 44 -16.011 2.754 -23.163 1.00 0.00 C ATOM 726 C THR A 44 -14.971 2.394 -24.215 1.00 0.00 C ATOM 727 O THR A 44 -14.959 1.278 -24.735 1.00 0.00 O ATOM 728 CB THR A 44 -17.221 3.412 -23.826 1.00 0.00 C ATOM 729 OG1 THR A 44 -17.862 2.507 -24.706 1.00 0.00 O ATOM 730 CG2 THR A 44 -16.867 4.651 -24.618 1.00 0.00 C ATOM 0 H THR A 44 -15.346 4.611 -22.442 1.00 0.00 H new ATOM 0 HA THR A 44 -16.333 1.837 -22.669 1.00 0.00 H new ATOM 0 HB THR A 44 -17.880 3.700 -23.007 1.00 0.00 H new ATOM 0 HG1 THR A 44 -18.635 2.945 -25.120 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.770 5.069 -25.063 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.413 5.389 -23.956 1.00 0.00 H new ATOM 0 HG23 THR A 44 -16.162 4.389 -25.407 1.00 0.00 H new ATOM 738 N ALA A 45 -14.099 3.345 -24.522 1.00 0.00 N ATOM 739 CA ALA A 45 -13.052 3.128 -25.511 1.00 0.00 C ATOM 740 C ALA A 45 -11.768 2.644 -24.847 1.00 0.00 C ATOM 741 O ALA A 45 -11.740 2.386 -23.643 1.00 0.00 O ATOM 742 CB ALA A 45 -12.797 4.408 -26.293 1.00 0.00 C ATOM 0 H ALA A 45 -14.096 4.274 -24.101 1.00 0.00 H new ATOM 0 HA ALA A 45 -13.387 2.354 -26.202 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.012 4.234 -27.029 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.712 4.712 -26.802 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.484 5.196 -25.608 1.00 0.00 H new ATOM 748 N THR A 46 -10.708 2.522 -25.637 1.00 0.00 N ATOM 749 CA THR A 46 -9.422 2.069 -25.121 1.00 0.00 C ATOM 750 C THR A 46 -8.335 3.103 -25.392 1.00 0.00 C ATOM 751 O THR A 46 -8.507 3.996 -26.223 1.00 0.00 O ATOM 752 CB THR A 46 -9.037 0.732 -25.753 1.00 0.00 C ATOM 753 OG1 THR A 46 -9.551 0.632 -27.069 1.00 0.00 O ATOM 754 CG2 THR A 46 -9.535 -0.464 -24.972 1.00 0.00 C ATOM 0 H THR A 46 -10.713 2.730 -26.636 1.00 0.00 H new ATOM 0 HA THR A 46 -9.516 1.939 -24.043 1.00 0.00 H new ATOM 0 HB THR A 46 -7.947 0.716 -25.754 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.292 -0.230 -27.457 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.227 -1.381 -25.475 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.114 -0.443 -23.967 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.623 -0.431 -24.911 1.00 0.00 H new ATOM 762 N TRP A 47 -7.218 2.977 -24.687 1.00 0.00 N ATOM 763 CA TRP A 47 -6.102 3.900 -24.853 1.00 0.00 C ATOM 764 C TRP A 47 -5.703 4.011 -26.323 1.00 0.00 C ATOM 765 O TRP A 47 -5.392 5.097 -26.811 1.00 0.00 O ATOM 766 CB TRP A 47 -4.904 3.439 -24.022 1.00 0.00 C ATOM 767 CG TRP A 47 -5.119 3.566 -22.545 1.00 0.00 C ATOM 768 CD1 TRP A 47 -5.199 2.548 -21.639 1.00 0.00 C ATOM 769 CD2 TRP A 47 -5.281 4.779 -21.802 1.00 0.00 C ATOM 770 NE1 TRP A 47 -5.399 3.054 -20.378 1.00 0.00 N ATOM 771 CE2 TRP A 47 -5.453 4.421 -20.451 1.00 0.00 C ATOM 772 CE3 TRP A 47 -5.295 6.135 -22.146 1.00 0.00 C ATOM 773 CZ2 TRP A 47 -5.638 5.369 -19.448 1.00 0.00 C ATOM 774 CZ3 TRP A 47 -5.478 7.073 -21.149 1.00 0.00 C ATOM 775 CH2 TRP A 47 -5.648 6.687 -19.814 1.00 0.00 C ATOM 0 H TRP A 47 -7.060 2.245 -23.995 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.420 4.883 -24.505 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.684 2.399 -24.261 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -4.028 4.023 -24.306 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.117 1.498 -21.879 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.492 2.502 -19.526 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.165 6.443 -23.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.769 5.074 -18.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.490 8.122 -21.404 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.790 7.445 -19.058 1.00 0.00 H new ATOM 786 N LYS A 48 -5.715 2.879 -27.020 1.00 0.00 N ATOM 787 CA LYS A 48 -5.355 2.844 -28.435 1.00 0.00 C ATOM 788 C LYS A 48 -6.096 3.928 -29.214 1.00 0.00 C ATOM 789 O LYS A 48 -5.565 4.492 -30.171 1.00 0.00 O ATOM 790 CB LYS A 48 -5.670 1.469 -29.031 1.00 0.00 C ATOM 791 CG LYS A 48 -4.898 0.331 -28.380 1.00 0.00 C ATOM 792 CD LYS A 48 -3.442 0.325 -28.819 1.00 0.00 C ATOM 793 CE LYS A 48 -2.919 -1.092 -28.998 1.00 0.00 C ATOM 794 NZ LYS A 48 -3.090 -1.576 -30.395 1.00 0.00 N ATOM 0 H LYS A 48 -5.970 1.972 -26.628 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.284 3.031 -28.514 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.738 1.276 -28.932 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.446 1.485 -30.098 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.952 0.426 -27.296 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.362 -0.621 -28.640 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.341 0.872 -29.756 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.836 0.847 -28.079 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.863 -1.126 -28.729 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.443 -1.761 -28.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.721 -2.545 -30.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.100 -1.569 -30.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.569 -0.953 -31.044 1.00 0.00 H new ATOM 808 N ASP A 49 -7.325 4.209 -28.798 1.00 0.00 N ATOM 809 CA ASP A 49 -8.145 5.223 -29.453 1.00 0.00 C ATOM 810 C ASP A 49 -7.882 6.605 -28.862 1.00 0.00 C ATOM 811 O ASP A 49 -8.096 7.624 -29.520 1.00 0.00 O ATOM 812 CB ASP A 49 -9.628 4.870 -29.319 1.00 0.00 C ATOM 813 CG ASP A 49 -10.388 5.057 -30.616 1.00 0.00 C ATOM 814 OD1 ASP A 49 -9.907 4.570 -31.662 1.00 0.00 O ATOM 815 OD2 ASP A 49 -11.465 5.688 -30.587 1.00 0.00 O ATOM 0 H ASP A 49 -7.777 3.748 -28.008 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.877 5.246 -30.509 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.724 3.835 -28.992 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.078 5.492 -28.545 1.00 0.00 H new ATOM 820 N SER A 50 -7.419 6.634 -27.615 1.00 0.00 N ATOM 821 CA SER A 50 -7.130 7.891 -26.933 1.00 0.00 C ATOM 822 C SER A 50 -6.271 8.802 -27.805 1.00 0.00 C ATOM 823 O SER A 50 -5.542 8.336 -28.680 1.00 0.00 O ATOM 824 CB SER A 50 -6.423 7.623 -25.602 1.00 0.00 C ATOM 825 OG SER A 50 -5.014 7.645 -25.757 1.00 0.00 O ATOM 0 H SER A 50 -7.236 5.800 -27.056 1.00 0.00 H new ATOM 0 HA SER A 50 -8.077 8.395 -26.739 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.723 8.373 -24.870 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.733 6.654 -25.211 1.00 0.00 H new ATOM 0 HG SER A 50 -4.715 6.800 -26.154 1.00 0.00 H new ATOM 831 N LYS A 51 -6.358 10.104 -27.555 1.00 0.00 N ATOM 832 CA LYS A 51 -5.586 11.081 -28.313 1.00 0.00 C ATOM 833 C LYS A 51 -4.285 11.414 -27.591 1.00 0.00 C ATOM 834 O LYS A 51 -4.288 11.716 -26.400 1.00 0.00 O ATOM 835 CB LYS A 51 -6.406 12.353 -28.529 1.00 0.00 C ATOM 836 CG LYS A 51 -6.899 12.521 -29.955 1.00 0.00 C ATOM 837 CD LYS A 51 -6.582 13.905 -30.494 1.00 0.00 C ATOM 838 CE LYS A 51 -6.528 13.914 -32.013 1.00 0.00 C ATOM 839 NZ LYS A 51 -7.355 15.009 -32.593 1.00 0.00 N ATOM 0 H LYS A 51 -6.956 10.507 -26.833 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.344 10.648 -29.284 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.263 12.342 -27.856 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.799 13.217 -28.259 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.437 11.767 -30.592 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.975 12.353 -29.991 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.338 14.612 -30.152 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.626 14.242 -30.093 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.494 14.029 -32.339 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.878 12.955 -32.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.291 14.980 -33.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.346 14.886 -32.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.006 15.927 -32.250 1.00 0.00 H new ATOM 853 N THR A 52 -3.173 11.354 -28.319 1.00 0.00 N ATOM 854 CA THR A 52 -1.868 11.647 -27.740 1.00 0.00 C ATOM 855 C THR A 52 -1.437 13.078 -28.049 1.00 0.00 C ATOM 856 O THR A 52 -1.088 13.400 -29.184 1.00 0.00 O ATOM 857 CB THR A 52 -0.822 10.662 -28.264 1.00 0.00 C ATOM 858 OG1 THR A 52 -1.118 9.343 -27.838 1.00 0.00 O ATOM 859 CG2 THR A 52 0.586 10.986 -27.810 1.00 0.00 C ATOM 0 H THR A 52 -3.151 11.106 -29.308 1.00 0.00 H new ATOM 0 HA THR A 52 -1.949 11.541 -26.658 1.00 0.00 H new ATOM 0 HB THR A 52 -0.865 10.746 -29.350 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.439 8.727 -28.184 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.278 10.249 -28.217 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.863 11.979 -28.165 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.631 10.964 -26.721 1.00 0.00 H new ATOM 867 N GLU A 53 -1.458 13.929 -27.028 1.00 0.00 N ATOM 868 CA GLU A 53 -1.064 15.323 -27.187 1.00 0.00 C ATOM 869 C GLU A 53 0.359 15.540 -26.686 1.00 0.00 C ATOM 870 O GLU A 53 0.742 15.029 -25.632 1.00 0.00 O ATOM 871 CB GLU A 53 -2.032 16.238 -26.434 1.00 0.00 C ATOM 872 CG GLU A 53 -3.012 16.961 -27.343 1.00 0.00 C ATOM 873 CD GLU A 53 -3.682 16.029 -28.332 1.00 0.00 C ATOM 874 OE1 GLU A 53 -4.736 15.454 -27.986 1.00 0.00 O ATOM 875 OE2 GLU A 53 -3.152 15.871 -29.452 1.00 0.00 O ATOM 0 H GLU A 53 -1.744 13.677 -26.082 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.099 15.570 -28.248 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.590 15.646 -25.709 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.459 16.975 -25.871 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.774 17.449 -26.735 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.487 17.746 -27.887 1.00 0.00 H new ATOM 882 N THR A 54 1.140 16.296 -27.449 1.00 0.00 N ATOM 883 CA THR A 54 2.521 16.577 -27.087 1.00 0.00 C ATOM 884 C THR A 54 2.690 18.030 -26.661 1.00 0.00 C ATOM 885 O THR A 54 2.966 18.900 -27.487 1.00 0.00 O ATOM 886 CB THR A 54 3.447 16.272 -28.265 1.00 0.00 C ATOM 887 OG1 THR A 54 2.720 16.242 -29.480 1.00 0.00 O ATOM 888 CG2 THR A 54 4.172 14.950 -28.131 1.00 0.00 C ATOM 0 H THR A 54 0.838 16.725 -28.324 1.00 0.00 H new ATOM 0 HA THR A 54 2.786 15.938 -26.245 1.00 0.00 H new ATOM 0 HB THR A 54 4.185 17.074 -28.266 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.330 16.047 -30.222 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.812 14.796 -29.000 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.783 14.960 -27.228 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.444 14.141 -28.068 1.00 0.00 H new ATOM 896 N LEU A 55 2.528 18.288 -25.367 1.00 0.00 N ATOM 897 CA LEU A 55 2.669 19.637 -24.836 1.00 0.00 C ATOM 898 C LEU A 55 4.113 19.911 -24.431 1.00 0.00 C ATOM 899 O LEU A 55 4.813 19.017 -23.954 1.00 0.00 O ATOM 900 CB LEU A 55 1.740 19.838 -23.637 1.00 0.00 C ATOM 901 CG LEU A 55 0.329 20.316 -23.986 1.00 0.00 C ATOM 902 CD1 LEU A 55 -0.699 19.260 -23.617 1.00 0.00 C ATOM 903 CD2 LEU A 55 0.024 21.628 -23.282 1.00 0.00 C ATOM 0 H LEU A 55 2.299 17.581 -24.668 1.00 0.00 H new ATOM 0 HA LEU A 55 2.391 20.341 -25.620 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.664 18.896 -23.093 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.196 20.561 -22.961 1.00 0.00 H new ATOM 0 HG LEU A 55 0.277 20.482 -25.062 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.696 19.618 -23.873 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.491 18.342 -24.167 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.648 19.061 -22.546 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.983 21.954 -23.541 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.094 21.487 -22.203 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.742 22.385 -23.596 1.00 0.00 H new ATOM 915 N GLN A 56 4.554 21.148 -24.630 1.00 0.00 N ATOM 916 CA GLN A 56 5.919 21.537 -24.291 1.00 0.00 C ATOM 917 C GLN A 56 5.931 22.683 -23.286 1.00 0.00 C ATOM 918 O GLN A 56 5.359 23.745 -23.532 1.00 0.00 O ATOM 919 CB GLN A 56 6.683 21.941 -25.552 1.00 0.00 C ATOM 920 CG GLN A 56 7.230 20.759 -26.335 1.00 0.00 C ATOM 921 CD GLN A 56 8.554 21.066 -27.008 1.00 0.00 C ATOM 922 OE1 GLN A 56 8.710 20.870 -28.213 1.00 0.00 O ATOM 923 NE2 GLN A 56 9.516 21.550 -26.231 1.00 0.00 N ATOM 0 H GLN A 56 3.987 21.899 -25.024 1.00 0.00 H new ATOM 0 HA GLN A 56 6.410 20.677 -23.835 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.022 22.520 -26.198 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.509 22.595 -25.273 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.357 19.910 -25.663 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.503 20.461 -27.091 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.343 21.697 -25.237 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.428 21.775 -26.629 1.00 0.00 H new ATOM 932 N ASN A 57 6.589 22.460 -22.152 1.00 0.00 N ATOM 933 CA ASN A 57 6.683 23.471 -21.102 1.00 0.00 C ATOM 934 C ASN A 57 5.309 24.056 -20.786 1.00 0.00 C ATOM 935 O ASN A 57 5.175 25.255 -20.544 1.00 0.00 O ATOM 936 CB ASN A 57 7.646 24.598 -21.508 1.00 0.00 C ATOM 937 CG ASN A 57 8.715 24.148 -22.488 1.00 0.00 C ATOM 938 OD1 ASN A 57 8.895 24.750 -23.546 1.00 0.00 O ATOM 939 ND2 ASN A 57 9.431 23.086 -22.139 1.00 0.00 N ATOM 0 H ASN A 57 7.067 21.585 -21.936 1.00 0.00 H new ATOM 0 HA ASN A 57 7.072 22.982 -20.209 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.075 25.413 -21.953 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.126 24.996 -20.614 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.164 22.739 -22.758 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.248 22.617 -21.252 1.00 0.00 H new ATOM 946 N ALA A 58 4.293 23.200 -20.791 1.00 0.00 N ATOM 947 CA ALA A 58 2.930 23.631 -20.504 1.00 0.00 C ATOM 948 C ALA A 58 2.416 22.999 -19.217 1.00 0.00 C ATOM 949 O ALA A 58 3.042 22.095 -18.665 1.00 0.00 O ATOM 950 CB ALA A 58 2.010 23.287 -21.665 1.00 0.00 C ATOM 0 H ALA A 58 4.388 22.204 -20.991 1.00 0.00 H new ATOM 0 HA ALA A 58 2.939 24.713 -20.371 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.996 23.615 -21.435 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.359 23.790 -22.567 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.015 22.209 -21.826 1.00 0.00 H new ATOM 956 N HIS A 59 1.271 23.478 -18.746 1.00 0.00 N ATOM 957 CA HIS A 59 0.672 22.958 -17.524 1.00 0.00 C ATOM 958 C HIS A 59 -0.823 22.716 -17.706 1.00 0.00 C ATOM 959 O HIS A 59 -1.571 22.646 -16.731 1.00 0.00 O ATOM 960 CB HIS A 59 0.907 23.926 -16.363 1.00 0.00 C ATOM 961 CG HIS A 59 2.296 23.871 -15.810 1.00 0.00 C ATOM 962 ND1 HIS A 59 2.997 24.991 -15.416 1.00 0.00 N ATOM 963 CD2 HIS A 59 3.119 22.818 -15.587 1.00 0.00 C ATOM 964 CE1 HIS A 59 4.189 24.631 -14.976 1.00 0.00 C ATOM 965 NE2 HIS A 59 4.288 23.318 -15.069 1.00 0.00 N ATOM 0 H HIS A 59 0.739 24.225 -19.192 1.00 0.00 H new ATOM 0 HA HIS A 59 1.148 22.005 -17.296 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.699 24.942 -16.700 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.198 23.703 -15.566 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.897 21.779 -15.781 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.953 25.297 -14.603 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.101 22.765 -14.800 1.00 0.00 H new ATOM 974 N SER A 60 -1.257 22.589 -18.958 1.00 0.00 N ATOM 975 CA SER A 60 -2.666 22.353 -19.252 1.00 0.00 C ATOM 976 C SER A 60 -2.928 22.367 -20.756 1.00 0.00 C ATOM 977 O SER A 60 -2.097 22.824 -21.541 1.00 0.00 O ATOM 978 CB SER A 60 -3.532 23.409 -18.565 1.00 0.00 C ATOM 979 OG SER A 60 -2.965 24.700 -18.698 1.00 0.00 O ATOM 0 H SER A 60 -0.656 22.645 -19.780 1.00 0.00 H new ATOM 0 HA SER A 60 -2.927 21.366 -18.869 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.532 23.401 -18.998 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.641 23.163 -17.509 1.00 0.00 H new ATOM 0 HG SER A 60 -3.539 25.357 -18.251 1.00 0.00 H new ATOM 985 N MET A 61 -4.096 21.863 -21.144 1.00 0.00 N ATOM 986 CA MET A 61 -4.486 21.812 -22.547 1.00 0.00 C ATOM 987 C MET A 61 -5.949 22.218 -22.708 1.00 0.00 C ATOM 988 O MET A 61 -6.556 22.755 -21.781 1.00 0.00 O ATOM 989 CB MET A 61 -4.270 20.406 -23.103 1.00 0.00 C ATOM 990 CG MET A 61 -5.106 19.351 -22.401 1.00 0.00 C ATOM 991 SD MET A 61 -6.281 18.540 -23.501 1.00 0.00 S ATOM 992 CE MET A 61 -5.179 17.576 -24.532 1.00 0.00 C ATOM 0 H MET A 61 -4.791 21.483 -20.502 1.00 0.00 H new ATOM 0 HA MET A 61 -3.865 22.513 -23.105 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.509 20.402 -24.166 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.216 20.144 -23.013 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.445 18.601 -21.967 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.648 19.814 -21.576 1.00 0.00 H new ATOM 0 HE1 MET A 61 -5.370 17.803 -25.581 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.145 17.823 -24.290 1.00 0.00 H new ATOM 0 HE3 MET A 61 -5.350 16.514 -24.354 1.00 0.00 H new ATOM 1002 N ALA A 62 -6.512 21.957 -23.882 1.00 0.00 N ATOM 1003 CA ALA A 62 -7.904 22.293 -24.151 1.00 0.00 C ATOM 1004 C ALA A 62 -8.637 21.113 -24.780 1.00 0.00 C ATOM 1005 O ALA A 62 -8.890 21.102 -25.984 1.00 0.00 O ATOM 1006 CB ALA A 62 -7.981 23.512 -25.058 1.00 0.00 C ATOM 0 H ALA A 62 -6.026 21.514 -24.662 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.391 22.526 -23.204 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.026 23.755 -25.253 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.496 24.359 -24.572 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.476 23.297 -26.000 1.00 0.00 H new ATOM 1012 N LEU A 63 -8.977 20.120 -23.954 1.00 0.00 N ATOM 1013 CA LEU A 63 -9.684 18.923 -24.421 1.00 0.00 C ATOM 1014 C LEU A 63 -10.753 19.276 -25.454 1.00 0.00 C ATOM 1015 O LEU A 63 -11.863 19.672 -25.101 1.00 0.00 O ATOM 1016 CB LEU A 63 -10.334 18.197 -23.241 1.00 0.00 C ATOM 1017 CG LEU A 63 -9.359 17.536 -22.266 1.00 0.00 C ATOM 1018 CD1 LEU A 63 -10.037 17.290 -20.926 1.00 0.00 C ATOM 1019 CD2 LEU A 63 -8.826 16.234 -22.843 1.00 0.00 C ATOM 0 H LEU A 63 -8.773 20.121 -22.955 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.951 18.269 -24.893 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.947 18.910 -22.689 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.007 17.433 -23.631 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.516 18.209 -22.109 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.331 16.819 -20.242 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.370 18.240 -20.507 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.897 16.635 -21.068 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.134 15.779 -22.135 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.656 15.552 -23.029 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.306 16.437 -23.779 1.00 0.00 H new ATOM 1031 N PRO A 64 -10.421 19.152 -26.747 1.00 0.00 N ATOM 1032 CA PRO A 64 -11.335 19.471 -27.831 1.00 0.00 C ATOM 1033 C PRO A 64 -12.127 18.266 -28.333 1.00 0.00 C ATOM 1034 O PRO A 64 -13.354 18.317 -28.429 1.00 0.00 O ATOM 1035 CB PRO A 64 -10.383 19.973 -28.913 1.00 0.00 C ATOM 1036 CG PRO A 64 -9.099 19.230 -28.688 1.00 0.00 C ATOM 1037 CD PRO A 64 -9.116 18.710 -27.265 1.00 0.00 C ATOM 0 HA PRO A 64 -12.103 20.182 -27.526 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.781 19.777 -29.909 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -10.233 21.050 -28.836 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.004 18.407 -29.396 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.243 19.887 -28.846 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.020 17.625 -27.234 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.293 19.120 -26.679 1.00 0.00 H new ATOM 1045 N ALA A 65 -11.422 17.192 -28.676 1.00 0.00 N ATOM 1046 CA ALA A 65 -12.065 15.992 -29.196 1.00 0.00 C ATOM 1047 C ALA A 65 -12.448 15.004 -28.096 1.00 0.00 C ATOM 1048 O ALA A 65 -11.805 13.966 -27.935 1.00 0.00 O ATOM 1049 CB ALA A 65 -11.157 15.316 -30.211 1.00 0.00 C ATOM 0 H ALA A 65 -10.407 17.129 -28.603 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.991 16.307 -29.677 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.644 14.420 -30.595 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.957 16.002 -31.034 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.217 15.041 -29.732 1.00 0.00 H new ATOM 1055 N LEU A 66 -13.520 15.308 -27.367 1.00 0.00 N ATOM 1056 CA LEU A 66 -14.000 14.413 -26.320 1.00 0.00 C ATOM 1057 C LEU A 66 -15.395 13.906 -26.680 1.00 0.00 C ATOM 1058 O LEU A 66 -15.874 14.141 -27.790 1.00 0.00 O ATOM 1059 CB LEU A 66 -14.024 15.099 -24.947 1.00 0.00 C ATOM 1060 CG LEU A 66 -12.689 15.686 -24.464 1.00 0.00 C ATOM 1061 CD1 LEU A 66 -12.693 15.838 -22.947 1.00 0.00 C ATOM 1062 CD2 LEU A 66 -11.518 14.819 -24.905 1.00 0.00 C ATOM 0 H LEU A 66 -14.068 16.161 -27.482 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.308 13.573 -26.252 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.761 15.901 -24.977 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.369 14.376 -24.208 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.571 16.671 -24.916 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.740 16.255 -22.621 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.502 16.506 -22.650 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.840 14.862 -22.484 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.586 15.258 -24.549 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.629 13.818 -24.489 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.499 14.759 -25.993 1.00 0.00 H new ATOM 1074 N GLU A 67 -16.047 13.214 -25.752 1.00 0.00 N ATOM 1075 CA GLU A 67 -17.384 12.689 -26.009 1.00 0.00 C ATOM 1076 C GLU A 67 -18.274 12.790 -24.771 1.00 0.00 C ATOM 1077 O GLU A 67 -17.873 12.394 -23.677 1.00 0.00 O ATOM 1078 CB GLU A 67 -17.302 11.234 -26.473 1.00 0.00 C ATOM 1079 CG GLU A 67 -17.096 11.086 -27.972 1.00 0.00 C ATOM 1080 CD GLU A 67 -18.390 10.823 -28.717 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -19.213 11.757 -28.827 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -18.582 9.683 -29.190 1.00 0.00 O ATOM 0 H GLU A 67 -15.677 13.005 -24.825 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.831 13.295 -26.797 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.482 10.740 -25.951 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.219 10.718 -26.188 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.635 11.993 -28.363 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.400 10.268 -28.160 1.00 0.00 H new ATOM 1089 N PRO A 68 -19.503 13.320 -24.928 1.00 0.00 N ATOM 1090 CA PRO A 68 -20.447 13.466 -23.818 1.00 0.00 C ATOM 1091 C PRO A 68 -21.068 12.135 -23.407 1.00 0.00 C ATOM 1092 O PRO A 68 -20.940 11.134 -24.113 1.00 0.00 O ATOM 1093 CB PRO A 68 -21.513 14.401 -24.383 1.00 0.00 C ATOM 1094 CG PRO A 68 -21.491 14.154 -25.850 1.00 0.00 C ATOM 1095 CD PRO A 68 -20.066 13.815 -26.199 1.00 0.00 C ATOM 0 HA PRO A 68 -19.963 13.844 -22.917 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -22.494 14.185 -23.960 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -21.289 15.443 -24.153 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -22.162 13.337 -26.117 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -21.827 15.034 -26.398 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -20.015 13.058 -26.982 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -19.525 14.688 -26.564 1.00 0.00 H new ATOM 1103 N SER A 69 -21.740 12.129 -22.262 1.00 0.00 N ATOM 1104 CA SER A 69 -22.379 10.918 -21.758 1.00 0.00 C ATOM 1105 C SER A 69 -21.381 9.765 -21.694 1.00 0.00 C ATOM 1106 O SER A 69 -21.760 8.596 -21.749 1.00 0.00 O ATOM 1107 CB SER A 69 -23.562 10.531 -22.648 1.00 0.00 C ATOM 1108 OG SER A 69 -24.355 9.529 -22.035 1.00 0.00 O ATOM 0 H SER A 69 -21.857 12.948 -21.665 1.00 0.00 H new ATOM 0 HA SER A 69 -22.742 11.121 -20.750 1.00 0.00 H new ATOM 0 HB2 SER A 69 -24.173 11.411 -22.849 1.00 0.00 H new ATOM 0 HB3 SER A 69 -23.195 10.172 -23.610 1.00 0.00 H new ATOM 0 HG SER A 69 -23.777 8.807 -21.711 1.00 0.00 H new ATOM 1114 N THR A 70 -20.103 10.107 -21.577 1.00 0.00 N ATOM 1115 CA THR A 70 -19.045 9.108 -21.506 1.00 0.00 C ATOM 1116 C THR A 70 -17.942 9.570 -20.561 1.00 0.00 C ATOM 1117 O THR A 70 -17.644 10.761 -20.477 1.00 0.00 O ATOM 1118 CB THR A 70 -18.468 8.848 -22.904 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.417 8.182 -23.719 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.202 8.011 -22.900 1.00 0.00 C ATOM 0 H THR A 70 -19.775 11.071 -21.529 1.00 0.00 H new ATOM 0 HA THR A 70 -19.468 8.180 -21.121 1.00 0.00 H new ATOM 0 HB THR A 70 -18.223 9.835 -23.296 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.033 8.026 -24.607 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.855 7.871 -23.924 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.431 8.521 -22.322 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.409 7.040 -22.451 1.00 0.00 H new ATOM 1128 N ARG A 71 -17.328 8.623 -19.863 1.00 0.00 N ATOM 1129 CA ARG A 71 -16.249 8.946 -18.942 1.00 0.00 C ATOM 1130 C ARG A 71 -14.958 9.152 -19.720 1.00 0.00 C ATOM 1131 O ARG A 71 -14.887 8.846 -20.911 1.00 0.00 O ATOM 1132 CB ARG A 71 -16.067 7.833 -17.907 1.00 0.00 C ATOM 1133 CG ARG A 71 -17.261 7.654 -16.984 1.00 0.00 C ATOM 1134 CD ARG A 71 -17.692 6.198 -16.908 1.00 0.00 C ATOM 1135 NE ARG A 71 -18.577 5.828 -18.009 1.00 0.00 N ATOM 1136 CZ ARG A 71 -19.215 4.665 -18.082 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -19.066 3.762 -17.122 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -20.005 4.404 -19.115 1.00 0.00 N ATOM 0 H ARG A 71 -17.558 7.631 -19.917 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.504 9.865 -18.413 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -15.877 6.894 -18.426 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.184 8.049 -17.306 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -17.008 8.012 -15.986 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -18.092 8.263 -17.340 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.810 5.558 -16.922 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -18.200 6.020 -15.960 1.00 0.00 H new ATOM 0 HE ARG A 71 -18.713 6.500 -18.764 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -18.460 3.960 -16.325 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -19.557 2.870 -17.180 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -20.123 5.097 -19.854 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.494 3.511 -19.170 1.00 0.00 H new ATOM 1152 N TYR A 72 -13.939 9.677 -19.053 1.00 0.00 N ATOM 1153 CA TYR A 72 -12.662 9.921 -19.709 1.00 0.00 C ATOM 1154 C TYR A 72 -11.493 9.674 -18.772 1.00 0.00 C ATOM 1155 O TYR A 72 -11.371 10.308 -17.724 1.00 0.00 O ATOM 1156 CB TYR A 72 -12.606 11.345 -20.259 1.00 0.00 C ATOM 1157 CG TYR A 72 -12.862 11.409 -21.746 1.00 0.00 C ATOM 1158 CD1 TYR A 72 -14.154 11.334 -22.247 1.00 0.00 C ATOM 1159 CD2 TYR A 72 -11.813 11.523 -22.650 1.00 0.00 C ATOM 1160 CE1 TYR A 72 -14.396 11.374 -23.606 1.00 0.00 C ATOM 1161 CE2 TYR A 72 -12.046 11.559 -24.011 1.00 0.00 C ATOM 1162 CZ TYR A 72 -13.339 11.485 -24.483 1.00 0.00 C ATOM 1163 OH TYR A 72 -13.577 11.509 -25.838 1.00 0.00 O ATOM 0 H TYR A 72 -13.970 9.940 -18.068 1.00 0.00 H new ATOM 0 HA TYR A 72 -12.580 9.217 -20.537 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -13.343 11.959 -19.741 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.627 11.774 -20.045 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -14.984 11.243 -21.562 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -10.799 11.584 -22.283 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -15.408 11.319 -23.979 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -11.220 11.645 -24.701 1.00 0.00 H new ATOM 0 HH TYR A 72 -12.732 11.640 -26.316 1.00 0.00 H new ATOM 1173 N TRP A 73 -10.631 8.748 -19.169 1.00 0.00 N ATOM 1174 CA TRP A 73 -9.457 8.401 -18.387 1.00 0.00 C ATOM 1175 C TRP A 73 -8.199 8.939 -19.058 1.00 0.00 C ATOM 1176 O TRP A 73 -7.712 8.369 -20.034 1.00 0.00 O ATOM 1177 CB TRP A 73 -9.370 6.883 -18.223 1.00 0.00 C ATOM 1178 CG TRP A 73 -10.519 6.318 -17.444 1.00 0.00 C ATOM 1179 CD1 TRP A 73 -11.802 6.141 -17.883 1.00 0.00 C ATOM 1180 CD2 TRP A 73 -10.494 5.865 -16.086 1.00 0.00 C ATOM 1181 NE1 TRP A 73 -12.572 5.609 -16.878 1.00 0.00 N ATOM 1182 CE2 TRP A 73 -11.794 5.430 -15.767 1.00 0.00 C ATOM 1183 CE3 TRP A 73 -9.499 5.784 -15.106 1.00 0.00 C ATOM 1184 CZ2 TRP A 73 -12.124 4.923 -14.513 1.00 0.00 C ATOM 1185 CZ3 TRP A 73 -9.828 5.280 -13.862 1.00 0.00 C ATOM 1186 CH2 TRP A 73 -11.132 4.855 -13.576 1.00 0.00 C ATOM 0 H TRP A 73 -10.726 8.220 -20.037 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.541 8.855 -17.400 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.340 6.417 -19.208 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.436 6.629 -17.721 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -12.157 6.384 -18.874 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.564 5.384 -16.949 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.491 6.110 -15.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.128 4.595 -14.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.068 5.213 -13.098 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.358 4.465 -12.594 1.00 0.00 H new ATOM 1197 N ALA A 74 -7.693 10.054 -18.542 1.00 0.00 N ATOM 1198 CA ALA A 74 -6.505 10.681 -19.106 1.00 0.00 C ATOM 1199 C ALA A 74 -5.266 10.418 -18.263 1.00 0.00 C ATOM 1200 O ALA A 74 -5.344 9.862 -17.168 1.00 0.00 O ATOM 1201 CB ALA A 74 -6.727 12.177 -19.266 1.00 0.00 C ATOM 0 H ALA A 74 -8.086 10.540 -17.736 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.333 10.235 -20.086 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.832 12.634 -19.688 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.572 12.350 -19.932 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.936 12.620 -18.292 1.00 0.00 H new ATOM 1207 N ARG A 75 -4.122 10.827 -18.796 1.00 0.00 N ATOM 1208 CA ARG A 75 -2.842 10.651 -18.125 1.00 0.00 C ATOM 1209 C ARG A 75 -1.811 11.606 -18.720 1.00 0.00 C ATOM 1210 O ARG A 75 -2.045 12.191 -19.777 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.357 9.196 -18.231 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.935 8.404 -19.406 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.851 8.032 -20.401 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.298 7.016 -21.352 1.00 0.00 N ATOM 1215 CZ ARG A 75 -2.117 5.705 -21.187 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -1.541 5.235 -20.087 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -2.528 4.858 -22.121 1.00 0.00 N ATOM 0 H ARG A 75 -4.056 11.289 -19.703 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.971 10.881 -17.067 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.270 9.197 -18.313 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.607 8.678 -17.305 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.419 7.500 -19.036 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.703 8.996 -19.905 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.538 8.923 -20.945 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.977 7.664 -19.863 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.779 7.329 -22.195 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.232 5.878 -19.358 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.407 4.231 -19.971 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.982 5.209 -22.964 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.390 3.855 -21.996 1.00 0.00 H new ATOM 1231 N VAL A 76 -0.681 11.783 -18.041 1.00 0.00 N ATOM 1232 CA VAL A 76 0.345 12.695 -18.531 1.00 0.00 C ATOM 1233 C VAL A 76 1.756 12.276 -18.121 1.00 0.00 C ATOM 1234 O VAL A 76 2.025 12.024 -16.946 1.00 0.00 O ATOM 1235 CB VAL A 76 0.089 14.135 -18.029 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.382 14.253 -16.538 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.920 15.132 -18.820 1.00 0.00 C ATOM 0 H VAL A 76 -0.455 11.315 -17.163 1.00 0.00 H new ATOM 0 HA VAL A 76 0.282 12.658 -19.619 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.965 14.366 -18.184 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.194 15.275 -16.210 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.263 13.570 -15.985 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.425 13.998 -16.351 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.726 16.140 -18.452 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.978 14.899 -18.701 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.652 15.073 -19.875 1.00 0.00 H new ATOM 1247 N ARG A 77 2.658 12.238 -19.097 1.00 0.00 N ATOM 1248 CA ARG A 77 4.053 11.893 -18.839 1.00 0.00 C ATOM 1249 C ARG A 77 4.884 13.164 -18.689 1.00 0.00 C ATOM 1250 O ARG A 77 4.718 14.112 -19.457 1.00 0.00 O ATOM 1251 CB ARG A 77 4.634 11.048 -19.975 1.00 0.00 C ATOM 1252 CG ARG A 77 3.692 9.988 -20.512 1.00 0.00 C ATOM 1253 CD ARG A 77 4.408 9.076 -21.494 1.00 0.00 C ATOM 1254 NE ARG A 77 4.877 7.846 -20.865 1.00 0.00 N ATOM 1255 CZ ARG A 77 5.868 7.103 -21.347 1.00 0.00 C ATOM 1256 NH1 ARG A 77 6.484 7.460 -22.467 1.00 0.00 N ATOM 1257 NH2 ARG A 77 6.244 6.001 -20.714 1.00 0.00 N ATOM 0 H ARG A 77 2.448 12.442 -20.074 1.00 0.00 H new ATOM 0 HA ARG A 77 4.088 11.312 -17.917 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.922 11.709 -20.793 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.544 10.563 -19.622 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.292 9.399 -19.687 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.844 10.464 -21.004 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.734 8.828 -22.314 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.256 9.606 -21.927 1.00 0.00 H new ATOM 0 HE ARG A 77 4.419 7.539 -20.007 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.197 8.306 -22.959 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.244 6.888 -22.835 1.00 0.00 H new ATOM 0 HH21 ARG A 77 5.772 5.721 -19.854 1.00 0.00 H new ATOM 0 HH22 ARG A 77 7.005 5.433 -21.087 1.00 0.00 H new ATOM 1271 N VAL A 78 5.777 13.187 -17.705 1.00 0.00 N ATOM 1272 CA VAL A 78 6.620 14.354 -17.481 1.00 0.00 C ATOM 1273 C VAL A 78 8.079 13.963 -17.277 1.00 0.00 C ATOM 1274 O VAL A 78 8.397 13.146 -16.417 1.00 0.00 O ATOM 1275 CB VAL A 78 6.155 15.170 -16.257 1.00 0.00 C ATOM 1276 CG1 VAL A 78 6.373 14.381 -14.973 1.00 0.00 C ATOM 1277 CG2 VAL A 78 6.884 16.508 -16.203 1.00 0.00 C ATOM 0 H VAL A 78 5.935 12.417 -17.055 1.00 0.00 H new ATOM 0 HA VAL A 78 6.530 14.967 -18.378 1.00 0.00 H new ATOM 0 HB VAL A 78 5.087 15.366 -16.356 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.039 14.973 -14.121 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.803 13.453 -15.015 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.433 14.152 -14.862 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.545 17.072 -15.334 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.957 16.335 -16.127 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.671 17.075 -17.109 1.00 0.00 H new ATOM 1287 N ARG A 79 8.960 14.572 -18.060 1.00 0.00 N ATOM 1288 CA ARG A 79 10.389 14.310 -17.956 1.00 0.00 C ATOM 1289 C ARG A 79 11.141 15.622 -17.769 1.00 0.00 C ATOM 1290 O ARG A 79 10.668 16.677 -18.192 1.00 0.00 O ATOM 1291 CB ARG A 79 10.900 13.585 -19.204 1.00 0.00 C ATOM 1292 CG ARG A 79 12.415 13.459 -19.255 1.00 0.00 C ATOM 1293 CD ARG A 79 12.923 12.439 -18.248 1.00 0.00 C ATOM 1294 NE ARG A 79 14.129 12.897 -17.563 1.00 0.00 N ATOM 1295 CZ ARG A 79 14.632 12.303 -16.485 1.00 0.00 C ATOM 1296 NH1 ARG A 79 14.031 11.239 -15.972 1.00 0.00 N ATOM 1297 NH2 ARG A 79 15.736 12.773 -15.920 1.00 0.00 N ATOM 0 H ARG A 79 8.709 15.253 -18.776 1.00 0.00 H new ATOM 0 HA ARG A 79 10.563 13.668 -17.092 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.459 12.589 -19.242 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.558 14.119 -20.090 1.00 0.00 H new ATOM 0 HG2 ARG A 79 12.723 13.166 -20.259 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.869 14.429 -19.053 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.144 12.237 -17.513 1.00 0.00 H new ATOM 0 HD3 ARG A 79 13.131 11.499 -18.759 1.00 0.00 H new ATOM 0 HE ARG A 79 14.611 13.717 -17.931 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.182 10.875 -16.404 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.418 10.784 -15.145 1.00 0.00 H new ATOM 0 HH21 ARG A 79 16.201 13.592 -16.312 1.00 0.00 H new ATOM 0 HH22 ARG A 79 16.120 12.316 -15.093 1.00 0.00 H new ATOM 1311 N THR A 80 12.315 15.559 -17.153 1.00 0.00 N ATOM 1312 CA THR A 80 13.111 16.752 -16.943 1.00 0.00 C ATOM 1313 C THR A 80 14.559 16.480 -17.274 1.00 0.00 C ATOM 1314 O THR A 80 15.333 16.017 -16.435 1.00 0.00 O ATOM 1315 CB THR A 80 13.005 17.254 -15.510 1.00 0.00 C ATOM 1316 OG1 THR A 80 11.668 17.189 -15.048 1.00 0.00 O ATOM 1317 CG2 THR A 80 13.486 18.681 -15.363 1.00 0.00 C ATOM 0 H THR A 80 12.731 14.699 -16.794 1.00 0.00 H new ATOM 0 HA THR A 80 12.721 17.525 -17.605 1.00 0.00 H new ATOM 0 HB THR A 80 13.644 16.602 -14.915 1.00 0.00 H new ATOM 0 HG1 THR A 80 11.375 18.081 -14.767 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.390 18.992 -14.323 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.531 18.746 -15.666 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.884 19.335 -15.994 1.00 0.00 H new ATOM 1325 N SER A 81 14.913 16.773 -18.503 1.00 0.00 N ATOM 1326 CA SER A 81 16.264 16.571 -18.972 1.00 0.00 C ATOM 1327 C SER A 81 17.032 17.886 -18.931 1.00 0.00 C ATOM 1328 O SER A 81 17.971 18.041 -18.150 1.00 0.00 O ATOM 1329 CB SER A 81 16.250 16.013 -20.394 1.00 0.00 C ATOM 1330 OG SER A 81 17.406 15.234 -20.652 1.00 0.00 O ATOM 0 H SER A 81 14.277 17.156 -19.203 1.00 0.00 H new ATOM 0 HA SER A 81 16.760 15.853 -18.320 1.00 0.00 H new ATOM 0 HB2 SER A 81 15.358 15.404 -20.539 1.00 0.00 H new ATOM 0 HB3 SER A 81 16.195 16.834 -21.109 1.00 0.00 H new ATOM 0 HG SER A 81 17.983 15.706 -21.288 1.00 0.00 H new ATOM 1336 N ARG A 82 16.600 18.836 -19.774 1.00 0.00 N ATOM 1337 CA ARG A 82 17.208 20.171 -19.863 1.00 0.00 C ATOM 1338 C ARG A 82 17.015 20.759 -21.257 1.00 0.00 C ATOM 1339 O ARG A 82 16.531 20.082 -22.162 1.00 0.00 O ATOM 1340 CB ARG A 82 18.701 20.145 -19.534 1.00 0.00 C ATOM 1341 CG ARG A 82 19.010 20.585 -18.110 1.00 0.00 C ATOM 1342 CD ARG A 82 20.326 20.006 -17.619 1.00 0.00 C ATOM 1343 NE ARG A 82 20.603 20.374 -16.234 1.00 0.00 N ATOM 1344 CZ ARG A 82 21.815 20.334 -15.690 1.00 0.00 C ATOM 1345 NH1 ARG A 82 22.854 19.939 -16.413 1.00 0.00 N ATOM 1346 NH2 ARG A 82 21.990 20.685 -14.425 1.00 0.00 N ATOM 0 H ARG A 82 15.818 18.699 -20.414 1.00 0.00 H new ATOM 0 HA ARG A 82 16.704 20.795 -19.125 1.00 0.00 H new ATOM 0 HB2 ARG A 82 19.082 19.135 -19.686 1.00 0.00 H new ATOM 0 HB3 ARG A 82 19.231 20.794 -20.231 1.00 0.00 H new ATOM 0 HG2 ARG A 82 19.052 21.673 -18.066 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.204 20.270 -17.448 1.00 0.00 H new ATOM 0 HD2 ARG A 82 20.299 18.920 -17.707 1.00 0.00 H new ATOM 0 HD3 ARG A 82 21.137 20.358 -18.257 1.00 0.00 H new ATOM 0 HE ARG A 82 19.823 20.679 -15.651 1.00 0.00 H new ATOM 0 HH11 ARG A 82 22.723 19.666 -17.387 1.00 0.00 H new ATOM 0 HH12 ARG A 82 23.784 19.908 -15.995 1.00 0.00 H new ATOM 0 HH21 ARG A 82 21.193 20.987 -13.865 1.00 0.00 H new ATOM 0 HH22 ARG A 82 22.922 20.653 -14.011 1.00 0.00 H new ATOM 1360 N THR A 83 17.403 22.024 -21.421 1.00 0.00 N ATOM 1361 CA THR A 83 17.278 22.726 -22.703 1.00 0.00 C ATOM 1362 C THR A 83 17.524 21.798 -23.895 1.00 0.00 C ATOM 1363 O THR A 83 16.594 21.452 -24.624 1.00 0.00 O ATOM 1364 CB THR A 83 18.253 23.900 -22.750 1.00 0.00 C ATOM 1365 OG1 THR A 83 19.588 23.450 -22.606 1.00 0.00 O ATOM 1366 CG2 THR A 83 17.994 24.929 -21.672 1.00 0.00 C ATOM 0 H THR A 83 17.810 22.589 -20.676 1.00 0.00 H new ATOM 0 HA THR A 83 16.254 23.092 -22.777 1.00 0.00 H new ATOM 0 HB THR A 83 18.100 24.368 -23.723 1.00 0.00 H new ATOM 0 HG1 THR A 83 20.197 24.217 -22.641 1.00 0.00 H new ATOM 0 HG21 THR A 83 18.720 25.738 -21.759 1.00 0.00 H new ATOM 0 HG22 THR A 83 16.987 25.331 -21.787 1.00 0.00 H new ATOM 0 HG23 THR A 83 18.088 24.461 -20.692 1.00 0.00 H new ATOM 1374 N GLY A 84 18.775 21.396 -24.085 1.00 0.00 N ATOM 1375 CA GLY A 84 19.105 20.510 -25.186 1.00 0.00 C ATOM 1376 C GLY A 84 18.315 19.216 -25.136 1.00 0.00 C ATOM 1377 O GLY A 84 18.114 18.561 -26.159 1.00 0.00 O ATOM 0 H GLY A 84 19.565 21.666 -23.499 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.908 21.018 -26.130 1.00 0.00 H new ATOM 0 HA3 GLY A 84 20.171 20.284 -25.162 1.00 0.00 H new ATOM 1381 N TYR A 85 17.867 18.848 -23.938 1.00 0.00 N ATOM 1382 CA TYR A 85 17.095 17.625 -23.741 1.00 0.00 C ATOM 1383 C TYR A 85 17.749 16.439 -24.447 1.00 0.00 C ATOM 1384 O TYR A 85 18.905 16.513 -24.866 1.00 0.00 O ATOM 1385 CB TYR A 85 15.655 17.813 -24.235 1.00 0.00 C ATOM 1386 CG TYR A 85 14.601 17.306 -23.267 1.00 0.00 C ATOM 1387 CD1 TYR A 85 14.262 18.029 -22.124 1.00 0.00 C ATOM 1388 CD2 TYR A 85 13.943 16.102 -23.493 1.00 0.00 C ATOM 1389 CE1 TYR A 85 13.304 17.565 -21.247 1.00 0.00 C ATOM 1390 CE2 TYR A 85 12.985 15.634 -22.616 1.00 0.00 C ATOM 1391 CZ TYR A 85 12.670 16.369 -21.495 1.00 0.00 C ATOM 1392 OH TYR A 85 11.718 15.906 -20.619 1.00 0.00 O ATOM 0 H TYR A 85 18.027 19.383 -23.085 1.00 0.00 H new ATOM 0 HA TYR A 85 17.074 17.411 -22.672 1.00 0.00 H new ATOM 0 HB2 TYR A 85 15.481 18.872 -24.423 1.00 0.00 H new ATOM 0 HB3 TYR A 85 15.538 17.296 -25.188 1.00 0.00 H new ATOM 0 HD1 TYR A 85 14.757 18.967 -21.922 1.00 0.00 H new ATOM 0 HD2 TYR A 85 14.186 15.522 -24.371 1.00 0.00 H new ATOM 0 HE1 TYR A 85 13.052 18.139 -20.368 1.00 0.00 H new ATOM 0 HE2 TYR A 85 12.485 14.696 -22.808 1.00 0.00 H new ATOM 0 HH TYR A 85 11.384 16.650 -20.075 1.00 0.00 H new ATOM 1402 N ASN A 86 17.002 15.347 -24.569 1.00 0.00 N ATOM 1403 CA ASN A 86 17.502 14.139 -25.219 1.00 0.00 C ATOM 1404 C ASN A 86 16.371 13.395 -25.947 1.00 0.00 C ATOM 1405 O ASN A 86 15.964 13.805 -27.035 1.00 0.00 O ATOM 1406 CB ASN A 86 18.209 13.227 -24.205 1.00 0.00 C ATOM 1407 CG ASN A 86 17.643 13.367 -22.807 1.00 0.00 C ATOM 1408 OD1 ASN A 86 18.369 13.274 -21.817 1.00 0.00 O ATOM 1409 ND2 ASN A 86 16.339 13.591 -22.722 1.00 0.00 N ATOM 0 H ASN A 86 16.045 15.273 -24.225 1.00 0.00 H new ATOM 0 HA ASN A 86 18.235 14.436 -25.969 1.00 0.00 H new ATOM 0 HB2 ASN A 86 18.118 12.190 -24.528 1.00 0.00 H new ATOM 0 HB3 ASN A 86 19.273 13.463 -24.188 1.00 0.00 H new ATOM 0 HD21 ASN A 86 15.898 13.694 -21.808 1.00 0.00 H new ATOM 0 HD22 ASN A 86 15.777 13.660 -23.570 1.00 0.00 H new ATOM 1416 N GLY A 87 15.858 12.311 -25.357 1.00 0.00 N ATOM 1417 CA GLY A 87 14.785 11.566 -25.990 1.00 0.00 C ATOM 1418 C GLY A 87 14.157 10.540 -25.062 1.00 0.00 C ATOM 1419 O GLY A 87 13.630 9.526 -25.518 1.00 0.00 O ATOM 0 H GLY A 87 16.167 11.941 -24.458 1.00 0.00 H new ATOM 0 HA2 GLY A 87 14.017 12.261 -26.330 1.00 0.00 H new ATOM 0 HA3 GLY A 87 15.172 11.061 -26.875 1.00 0.00 H new ATOM 1423 N ILE A 88 14.220 10.801 -23.759 1.00 0.00 N ATOM 1424 CA ILE A 88 13.669 9.903 -22.769 1.00 0.00 C ATOM 1425 C ILE A 88 12.457 10.513 -22.075 1.00 0.00 C ATOM 1426 O ILE A 88 12.414 11.715 -21.825 1.00 0.00 O ATOM 1427 CB ILE A 88 14.720 9.568 -21.700 1.00 0.00 C ATOM 1428 CG1 ILE A 88 14.155 8.495 -20.760 1.00 0.00 C ATOM 1429 CG2 ILE A 88 15.139 10.838 -20.959 1.00 0.00 C ATOM 1430 CD1 ILE A 88 14.305 8.763 -19.272 1.00 0.00 C ATOM 0 H ILE A 88 14.653 11.638 -23.369 1.00 0.00 H new ATOM 0 HA ILE A 88 13.365 8.998 -23.295 1.00 0.00 H new ATOM 0 HB ILE A 88 15.620 9.164 -22.164 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.095 8.369 -20.981 1.00 0.00 H new ATOM 0 HG13 ILE A 88 14.643 7.547 -20.989 1.00 0.00 H new ATOM 0 HG21 ILE A 88 15.884 10.589 -20.203 1.00 0.00 H new ATOM 0 HG22 ILE A 88 15.564 11.549 -21.667 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.268 11.282 -20.477 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.870 7.938 -18.708 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.362 8.854 -19.024 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.791 9.689 -19.015 1.00 0.00 H new ATOM 1442 N TRP A 89 11.478 9.675 -21.754 1.00 0.00 N ATOM 1443 CA TRP A 89 10.278 10.127 -21.073 1.00 0.00 C ATOM 1444 C TRP A 89 10.098 9.398 -19.747 1.00 0.00 C ATOM 1445 O TRP A 89 10.715 8.359 -19.509 1.00 0.00 O ATOM 1446 CB TRP A 89 9.059 9.897 -21.951 1.00 0.00 C ATOM 1447 CG TRP A 89 8.888 10.951 -22.996 1.00 0.00 C ATOM 1448 CD1 TRP A 89 9.592 11.063 -24.157 1.00 0.00 C ATOM 1449 CD2 TRP A 89 7.966 12.044 -22.972 1.00 0.00 C ATOM 1450 NE1 TRP A 89 9.159 12.157 -24.866 1.00 0.00 N ATOM 1451 CE2 TRP A 89 8.162 12.778 -24.158 1.00 0.00 C ATOM 1452 CE3 TRP A 89 6.992 12.474 -22.064 1.00 0.00 C ATOM 1453 CZ2 TRP A 89 7.418 13.916 -24.461 1.00 0.00 C ATOM 1454 CZ3 TRP A 89 6.255 13.604 -22.365 1.00 0.00 C ATOM 1455 CH2 TRP A 89 6.472 14.314 -23.555 1.00 0.00 C ATOM 0 H TRP A 89 11.495 8.676 -21.957 1.00 0.00 H new ATOM 0 HA TRP A 89 10.384 11.193 -20.873 1.00 0.00 H new ATOM 0 HB2 TRP A 89 9.144 8.924 -22.434 1.00 0.00 H new ATOM 0 HB3 TRP A 89 8.167 9.865 -21.325 1.00 0.00 H new ATOM 0 HD1 TRP A 89 10.375 10.390 -24.473 1.00 0.00 H new ATOM 0 HE1 TRP A 89 9.520 12.458 -25.771 1.00 0.00 H new ATOM 0 HE3 TRP A 89 6.819 11.933 -21.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 7.581 14.464 -25.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.500 13.946 -21.673 1.00 0.00 H new ATOM 0 HH2 TRP A 89 5.880 15.194 -23.761 1.00 0.00 H new ATOM 1466 N SER A 90 9.249 9.948 -18.887 1.00 0.00 N ATOM 1467 CA SER A 90 8.985 9.348 -17.587 1.00 0.00 C ATOM 1468 C SER A 90 7.792 8.400 -17.658 1.00 0.00 C ATOM 1469 O SER A 90 7.339 8.039 -18.743 1.00 0.00 O ATOM 1470 CB SER A 90 8.728 10.439 -16.549 1.00 0.00 C ATOM 1471 OG SER A 90 7.398 10.921 -16.630 1.00 0.00 O ATOM 0 H SER A 90 8.732 10.809 -19.067 1.00 0.00 H new ATOM 0 HA SER A 90 9.862 8.772 -17.291 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.915 10.045 -15.550 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.426 11.262 -16.702 1.00 0.00 H new ATOM 0 HG SER A 90 7.356 11.828 -16.262 1.00 0.00 H new ATOM 1477 N GLU A 91 7.291 7.997 -16.495 1.00 0.00 N ATOM 1478 CA GLU A 91 6.152 7.090 -16.428 1.00 0.00 C ATOM 1479 C GLU A 91 4.839 7.865 -16.450 1.00 0.00 C ATOM 1480 O GLU A 91 4.727 8.936 -15.854 1.00 0.00 O ATOM 1481 CB GLU A 91 6.230 6.229 -15.164 1.00 0.00 C ATOM 1482 CG GLU A 91 6.792 4.838 -15.407 1.00 0.00 C ATOM 1483 CD GLU A 91 6.564 3.904 -14.236 1.00 0.00 C ATOM 1484 OE1 GLU A 91 6.915 4.282 -13.098 1.00 0.00 O ATOM 1485 OE2 GLU A 91 6.033 2.794 -14.455 1.00 0.00 O ATOM 0 H GLU A 91 7.656 8.284 -15.587 1.00 0.00 H new ATOM 0 HA GLU A 91 6.185 6.440 -17.303 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.850 6.738 -14.426 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.232 6.138 -14.734 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.331 4.415 -16.299 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.861 4.912 -15.605 1.00 0.00 H new ATOM 1492 N TRP A 92 3.848 7.315 -17.143 1.00 0.00 N ATOM 1493 CA TRP A 92 2.539 7.950 -17.250 1.00 0.00 C ATOM 1494 C TRP A 92 1.975 8.288 -15.872 1.00 0.00 C ATOM 1495 O TRP A 92 2.140 7.526 -14.919 1.00 0.00 O ATOM 1496 CB TRP A 92 1.568 7.032 -17.993 1.00 0.00 C ATOM 1497 CG TRP A 92 1.718 7.078 -19.482 1.00 0.00 C ATOM 1498 CD1 TRP A 92 2.257 6.112 -20.283 1.00 0.00 C ATOM 1499 CD2 TRP A 92 1.318 8.142 -20.351 1.00 0.00 C ATOM 1500 NE1 TRP A 92 2.213 6.512 -21.598 1.00 0.00 N ATOM 1501 CE2 TRP A 92 1.641 7.755 -21.664 1.00 0.00 C ATOM 1502 CE3 TRP A 92 0.716 9.384 -20.143 1.00 0.00 C ATOM 1503 CZ2 TRP A 92 1.380 8.568 -22.766 1.00 0.00 C ATOM 1504 CZ3 TRP A 92 0.457 10.190 -21.236 1.00 0.00 C ATOM 1505 CH2 TRP A 92 0.789 9.779 -22.532 1.00 0.00 C ATOM 0 H TRP A 92 3.927 6.428 -17.641 1.00 0.00 H new ATOM 0 HA TRP A 92 2.661 8.878 -17.808 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.718 6.007 -17.653 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.547 7.309 -17.731 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.659 5.172 -19.935 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.551 5.971 -22.394 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.457 9.709 -19.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.635 8.253 -23.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.009 11.153 -21.087 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.574 10.432 -23.365 1.00 0.00 H new ATOM 1516 N SER A 93 1.307 9.434 -15.775 1.00 0.00 N ATOM 1517 CA SER A 93 0.716 9.871 -14.514 1.00 0.00 C ATOM 1518 C SER A 93 -0.434 8.956 -14.106 1.00 0.00 C ATOM 1519 O SER A 93 -0.741 7.984 -14.795 1.00 0.00 O ATOM 1520 CB SER A 93 0.218 11.314 -14.629 1.00 0.00 C ATOM 1521 OG SER A 93 -0.855 11.412 -15.548 1.00 0.00 O ATOM 0 H SER A 93 1.161 10.076 -16.554 1.00 0.00 H new ATOM 0 HA SER A 93 1.488 9.821 -13.746 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.104 11.670 -13.650 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.036 11.960 -14.950 1.00 0.00 H new ATOM 0 HG SER A 93 -1.506 12.067 -15.222 1.00 0.00 H new ATOM 1527 N GLU A 94 -1.066 9.274 -12.980 1.00 0.00 N ATOM 1528 CA GLU A 94 -2.181 8.478 -12.479 1.00 0.00 C ATOM 1529 C GLU A 94 -3.437 8.716 -13.311 1.00 0.00 C ATOM 1530 O GLU A 94 -3.922 9.842 -13.417 1.00 0.00 O ATOM 1531 CB GLU A 94 -2.456 8.810 -11.011 1.00 0.00 C ATOM 1532 CG GLU A 94 -3.545 7.953 -10.389 1.00 0.00 C ATOM 1533 CD GLU A 94 -3.228 6.471 -10.449 1.00 0.00 C ATOM 1534 OE1 GLU A 94 -2.029 6.122 -10.490 1.00 0.00 O ATOM 1535 OE2 GLU A 94 -4.177 5.660 -10.455 1.00 0.00 O ATOM 0 H GLU A 94 -0.825 10.076 -12.398 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.908 7.426 -12.560 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.536 8.685 -10.440 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.741 9.859 -10.931 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.685 8.249 -9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.488 8.140 -10.904 1.00 0.00 H new ATOM 1542 N ALA A 95 -3.958 7.644 -13.896 1.00 0.00 N ATOM 1543 CA ALA A 95 -5.157 7.725 -14.719 1.00 0.00 C ATOM 1544 C ALA A 95 -6.278 8.461 -13.994 1.00 0.00 C ATOM 1545 O ALA A 95 -6.720 8.041 -12.925 1.00 0.00 O ATOM 1546 CB ALA A 95 -5.612 6.330 -15.115 1.00 0.00 C ATOM 0 H ALA A 95 -3.567 6.706 -13.815 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.913 8.291 -15.618 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.509 6.401 -15.730 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.822 5.837 -15.681 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.832 5.751 -14.218 1.00 0.00 H new ATOM 1552 N ARG A 96 -6.736 9.559 -14.587 1.00 0.00 N ATOM 1553 CA ARG A 96 -7.811 10.351 -14.001 1.00 0.00 C ATOM 1554 C ARG A 96 -9.114 10.143 -14.768 1.00 0.00 C ATOM 1555 O ARG A 96 -9.203 10.454 -15.955 1.00 0.00 O ATOM 1556 CB ARG A 96 -7.438 11.836 -14.001 1.00 0.00 C ATOM 1557 CG ARG A 96 -6.360 12.197 -12.989 1.00 0.00 C ATOM 1558 CD ARG A 96 -6.711 11.698 -11.598 1.00 0.00 C ATOM 1559 NE ARG A 96 -5.851 12.285 -10.572 1.00 0.00 N ATOM 1560 CZ ARG A 96 -5.792 11.846 -9.319 1.00 0.00 C ATOM 1561 NH1 ARG A 96 -6.539 10.818 -8.937 1.00 0.00 N ATOM 1562 NH2 ARG A 96 -4.985 12.433 -8.447 1.00 0.00 N ATOM 0 H ARG A 96 -6.380 9.920 -15.472 1.00 0.00 H new ATOM 0 HA ARG A 96 -7.956 10.021 -12.972 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.096 12.115 -14.998 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.331 12.426 -13.793 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.408 11.767 -13.301 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.229 13.279 -12.966 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.752 11.937 -11.379 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.621 10.612 -11.569 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.263 13.077 -10.833 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.160 10.363 -9.606 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.492 10.483 -7.975 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.408 13.223 -8.737 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.941 12.095 -7.486 1.00 0.00 H new ATOM 1576 N SER A 97 -10.122 9.613 -14.083 1.00 0.00 N ATOM 1577 CA SER A 97 -11.418 9.362 -14.703 1.00 0.00 C ATOM 1578 C SER A 97 -12.412 10.466 -14.354 1.00 0.00 C ATOM 1579 O SER A 97 -12.530 10.865 -13.196 1.00 0.00 O ATOM 1580 CB SER A 97 -11.966 8.006 -14.258 1.00 0.00 C ATOM 1581 OG SER A 97 -12.690 8.120 -13.045 1.00 0.00 O ATOM 0 H SER A 97 -10.067 9.349 -13.099 1.00 0.00 H new ATOM 0 HA SER A 97 -11.279 9.352 -15.784 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.614 7.600 -15.035 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.143 7.303 -14.129 1.00 0.00 H new ATOM 0 HG SER A 97 -13.163 7.280 -12.866 1.00 0.00 H new ATOM 1587 N TRP A 98 -13.126 10.954 -15.363 1.00 0.00 N ATOM 1588 CA TRP A 98 -14.110 12.012 -15.160 1.00 0.00 C ATOM 1589 C TRP A 98 -15.270 11.879 -16.146 1.00 0.00 C ATOM 1590 O TRP A 98 -15.171 11.164 -17.142 1.00 0.00 O ATOM 1591 CB TRP A 98 -13.448 13.389 -15.295 1.00 0.00 C ATOM 1592 CG TRP A 98 -13.188 13.802 -16.713 1.00 0.00 C ATOM 1593 CD1 TRP A 98 -14.056 14.438 -17.553 1.00 0.00 C ATOM 1594 CD2 TRP A 98 -11.979 13.607 -17.456 1.00 0.00 C ATOM 1595 NE1 TRP A 98 -13.459 14.650 -18.772 1.00 0.00 N ATOM 1596 CE2 TRP A 98 -12.186 14.148 -18.735 1.00 0.00 C ATOM 1597 CE3 TRP A 98 -10.743 13.030 -17.167 1.00 0.00 C ATOM 1598 CZ2 TRP A 98 -11.200 14.126 -19.716 1.00 0.00 C ATOM 1599 CZ3 TRP A 98 -9.767 13.009 -18.141 1.00 0.00 C ATOM 1600 CH2 TRP A 98 -10.001 13.555 -19.403 1.00 0.00 C ATOM 0 H TRP A 98 -13.042 10.635 -16.328 1.00 0.00 H new ATOM 0 HA TRP A 98 -14.511 11.913 -14.151 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -14.085 14.136 -14.820 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -12.504 13.382 -14.750 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -15.063 14.731 -17.297 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -13.893 15.107 -19.574 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -10.552 12.605 -16.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -11.378 14.548 -20.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -8.808 12.563 -17.923 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -9.218 13.525 -20.147 1.00 0.00 H new ATOM 1611 N ASP A 99 -16.366 12.576 -15.861 1.00 0.00 N ATOM 1612 CA ASP A 99 -17.542 12.539 -16.722 1.00 0.00 C ATOM 1613 C ASP A 99 -17.592 13.766 -17.628 1.00 0.00 C ATOM 1614 O ASP A 99 -17.255 14.873 -17.210 1.00 0.00 O ATOM 1615 CB ASP A 99 -18.816 12.461 -15.879 1.00 0.00 C ATOM 1616 CG ASP A 99 -19.992 11.908 -16.660 1.00 0.00 C ATOM 1617 OD1 ASP A 99 -19.976 10.702 -16.983 1.00 0.00 O ATOM 1618 OD2 ASP A 99 -20.931 12.681 -16.946 1.00 0.00 O ATOM 0 H ASP A 99 -16.464 13.173 -15.040 1.00 0.00 H new ATOM 0 HA ASP A 99 -17.475 11.649 -17.348 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -18.634 11.832 -15.008 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -19.065 13.455 -15.508 1.00 0.00 H new ATOM 1623 N THR A 100 -18.016 13.560 -18.871 1.00 0.00 N ATOM 1624 CA THR A 100 -18.111 14.650 -19.838 1.00 0.00 C ATOM 1625 C THR A 100 -19.450 15.380 -19.735 1.00 0.00 C ATOM 1626 O THR A 100 -19.745 16.261 -20.542 1.00 0.00 O ATOM 1627 CB THR A 100 -17.927 14.114 -21.256 1.00 0.00 C ATOM 1628 OG1 THR A 100 -18.642 12.904 -21.431 1.00 0.00 O ATOM 1629 CG2 THR A 100 -16.483 13.848 -21.607 1.00 0.00 C ATOM 0 H THR A 100 -18.299 12.649 -19.233 1.00 0.00 H new ATOM 0 HA THR A 100 -17.318 15.362 -19.609 1.00 0.00 H new ATOM 0 HB THR A 100 -18.308 14.895 -21.914 1.00 0.00 H new ATOM 0 HG1 THR A 100 -18.149 12.318 -22.042 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.420 13.469 -22.627 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.913 14.774 -21.528 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.072 13.109 -20.920 1.00 0.00 H new ATOM 1637 N GLU A 101 -20.259 15.010 -18.747 1.00 0.00 N ATOM 1638 CA GLU A 101 -21.562 15.636 -18.558 1.00 0.00 C ATOM 1639 C GLU A 101 -22.459 15.394 -19.767 1.00 0.00 C ATOM 1640 O GLU A 101 -22.254 15.978 -20.831 1.00 0.00 O ATOM 1641 CB GLU A 101 -21.399 17.139 -18.321 1.00 0.00 C ATOM 1642 CG GLU A 101 -21.927 17.604 -16.974 1.00 0.00 C ATOM 1643 CD GLU A 101 -23.247 18.341 -17.087 1.00 0.00 C ATOM 1644 OE1 GLU A 101 -23.808 18.388 -18.202 1.00 0.00 O ATOM 1645 OE2 GLU A 101 -23.720 18.872 -16.060 1.00 0.00 O ATOM 0 H GLU A 101 -20.036 14.283 -18.068 1.00 0.00 H new ATOM 0 HA GLU A 101 -22.032 15.187 -17.683 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -20.343 17.398 -18.397 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -21.917 17.681 -19.112 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -22.052 16.741 -16.320 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -21.190 18.256 -16.505 1.00 0.00 H new ATOM 1652 N SER A 102 -23.451 14.526 -19.599 1.00 0.00 N ATOM 1653 CA SER A 102 -24.376 14.206 -20.680 1.00 0.00 C ATOM 1654 C SER A 102 -25.289 15.388 -20.985 1.00 0.00 C ATOM 1655 O SER A 102 -25.832 15.979 -20.028 1.00 0.00 O ATOM 1656 CB SER A 102 -25.214 12.980 -20.315 1.00 0.00 C ATOM 1657 OG SER A 102 -25.756 12.370 -21.475 1.00 0.00 O ATOM 1658 OXT SER A 102 -25.452 15.715 -22.180 1.00 0.00 O ATOM 0 H SER A 102 -23.635 14.032 -18.726 1.00 0.00 H new ATOM 0 HA SER A 102 -23.790 13.985 -21.572 1.00 0.00 H new ATOM 0 HB2 SER A 102 -24.597 12.261 -19.776 1.00 0.00 H new ATOM 0 HB3 SER A 102 -26.021 13.274 -19.644 1.00 0.00 H new ATOM 0 HG SER A 102 -26.286 11.588 -21.216 1.00 0.00 H new