USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=38 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 40 TYR OH : rot 13:sc= -1.58 USER MOD Set 1.2: A 61 MET CE :methyl 136:sc= -6.3! (180deg=-8.63!) USER MOD Set 2.1: A 35 THR OG1 : rot -170:sc= -0.41 USER MOD Set 2.2: A 56 GLN : amide:sc= -0.678 K(o=-1.1,f=-2.2!) USER MOD Set 3.1: A 27 MET CE :methyl -113:sc= -1.62 (180deg=-6.87!) USER MOD Set 3.2: A 34 HIS : no HE2:sc= -5.87! C(o=-7.5!,f=-9.1!) USER MOD Set 4.1: A 24 THR OG1 : rot -79:sc= -0.711 USER MOD Set 4.2: A 26 LYS NZ :NH3+ -167:sc= 0 (180deg=0) USER MOD Set 4.3: A 59 HIS : no HD1:sc= -0.83 K(o=-1.5,f=-4.8!) USER MOD Set 5.1: A 12 THR OG1 : rot 6:sc= 0.724! USER MOD Set 5.2: A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -5.82! C(o=-5.8!,f=-6.5!) USER MOD Single : A 4 MET CE :methyl -117:sc= -2.94 (180deg=-7.33!) USER MOD Single : A 8 SER OG : rot 180:sc= -0.134 USER MOD Single : A 10 ASN : amide:sc= -4.41 X(o=-4.4,f=-4.2!) 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 43:sc= 0.946 USER MOD Single : A 25 MET CE :methyl -107:sc= -1.18 (180deg=-4.15!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS :FLIP no HE2:sc= 0.0293 F(o=-0.63,f=0.029) USER MOD Single : A 39 GLN :FLIP amide:sc= -1.13 F(o=-4.1,f=-1.1) USER MOD Single : A 42 LYS NZ :NH3+ -141:sc= 0.271 (180deg=0.102) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc=0.000478 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -89:sc= -1.61! USER MOD Single : A 51 LYS NZ :NH3+ -171:sc= 0.122 (180deg=0.103) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 60 SER OG : rot 180:sc= -0.0115 USER MOD Single : A 69 SER OG : rot 180:sc= -1.08 USER MOD Single : A 70 THR OG1 : rot -12:sc= 0.808 USER MOD Single : A 72 TYR OH : rot -146:sc= -3.69! USER MOD Single : A 80 THR OG1 : rot -56:sc= -0.225! USER MOD Single : A 81 SER OG : rot 56:sc= 1.4 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 14:sc= 0.687 USER MOD Single : A 86 ASN :FLIP amide:sc= 0.14 F(o=-2.3,f=0.14) USER MOD Single : A 90 SER OG : rot 98:sc= -1.97! USER MOD Single : A 93 SER OG : rot 137:sc= -0.848 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 148:sc= 1.18 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N GLN A 3 12.212 7.100 -12.058 1.00 0.00 N ATOM 40 CA GLN A 3 12.905 8.379 -12.136 1.00 0.00 C ATOM 41 C GLN A 3 11.901 9.514 -12.300 1.00 0.00 C ATOM 42 O GLN A 3 10.940 9.397 -13.060 1.00 0.00 O ATOM 43 CB GLN A 3 13.918 8.378 -13.291 1.00 0.00 C ATOM 44 CG GLN A 3 13.319 8.622 -14.674 1.00 0.00 C ATOM 45 CD GLN A 3 12.739 7.367 -15.299 1.00 0.00 C ATOM 46 OE1 GLN A 3 12.943 6.259 -14.802 1.00 0.00 O ATOM 47 NE2 GLN A 3 12.005 7.537 -16.395 1.00 0.00 N ATOM 0 HA GLN A 3 13.453 8.534 -11.206 1.00 0.00 H new ATOM 0 HB2 GLN A 3 14.669 9.144 -13.096 1.00 0.00 H new ATOM 0 HB3 GLN A 3 14.436 7.419 -13.300 1.00 0.00 H new ATOM 0 HG2 GLN A 3 12.537 9.378 -14.597 1.00 0.00 H new ATOM 0 HG3 GLN A 3 14.089 9.026 -15.331 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.862 8.474 -16.773 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.585 6.731 -16.858 1.00 0.00 H new ATOM 56 N MET A 4 12.120 10.610 -11.583 1.00 0.00 N ATOM 57 CA MET A 4 11.219 11.752 -11.658 1.00 0.00 C ATOM 58 C MET A 4 9.875 11.411 -11.024 1.00 0.00 C ATOM 59 O MET A 4 9.774 10.481 -10.223 1.00 0.00 O ATOM 60 CB MET A 4 11.018 12.173 -13.117 1.00 0.00 C ATOM 61 CG MET A 4 11.273 13.651 -13.369 1.00 0.00 C ATOM 62 SD MET A 4 10.545 14.229 -14.915 1.00 0.00 S ATOM 63 CE MET A 4 9.885 15.819 -14.414 1.00 0.00 C ATOM 0 H MET A 4 12.908 10.731 -10.947 1.00 0.00 H new ATOM 0 HA MET A 4 11.665 12.581 -11.109 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.683 11.586 -13.750 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.998 11.933 -13.418 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.867 14.232 -12.541 1.00 0.00 H new ATOM 0 HG3 MET A 4 12.348 13.832 -13.388 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.800 15.813 -14.521 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.145 16.009 -13.373 1.00 0.00 H new ATOM 0 HE3 MET A 4 10.307 16.603 -15.043 1.00 0.00 H new ATOM 73 N ALA A 5 8.844 12.165 -11.387 1.00 0.00 N ATOM 74 CA ALA A 5 7.508 11.936 -10.853 1.00 0.00 C ATOM 75 C ALA A 5 6.473 12.758 -11.620 1.00 0.00 C ATOM 76 O ALA A 5 6.552 13.986 -11.657 1.00 0.00 O ATOM 77 CB ALA A 5 7.472 12.278 -9.371 1.00 0.00 C ATOM 0 H ALA A 5 8.908 12.939 -12.048 1.00 0.00 H new ATOM 0 HA ALA A 5 7.260 10.881 -10.974 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.469 12.103 -8.982 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.184 11.650 -8.835 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.737 13.326 -9.233 1.00 0.00 H new ATOM 83 N PRO A 6 5.487 12.096 -12.253 1.00 0.00 N ATOM 84 CA PRO A 6 4.448 12.784 -13.024 1.00 0.00 C ATOM 85 C PRO A 6 3.745 13.866 -12.207 1.00 0.00 C ATOM 86 O PRO A 6 3.705 13.795 -10.979 1.00 0.00 O ATOM 87 CB PRO A 6 3.469 11.666 -13.385 1.00 0.00 C ATOM 88 CG PRO A 6 4.283 10.420 -13.347 1.00 0.00 C ATOM 89 CD PRO A 6 5.312 10.632 -12.272 1.00 0.00 C ATOM 0 HA PRO A 6 4.859 13.301 -13.891 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.642 11.620 -12.676 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.034 11.824 -14.372 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.660 9.553 -13.126 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.757 10.234 -14.311 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.970 10.255 -11.308 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.245 10.118 -12.502 1.00 0.00 H new ATOM 97 N PRO A 7 3.176 14.886 -12.876 1.00 0.00 N ATOM 98 CA PRO A 7 2.476 15.975 -12.205 1.00 0.00 C ATOM 99 C PRO A 7 1.047 15.594 -11.834 1.00 0.00 C ATOM 100 O PRO A 7 0.608 14.472 -12.087 1.00 0.00 O ATOM 101 CB PRO A 7 2.468 17.109 -13.243 1.00 0.00 C ATOM 102 CG PRO A 7 3.120 16.560 -14.478 1.00 0.00 C ATOM 103 CD PRO A 7 3.164 15.066 -14.331 1.00 0.00 C ATOM 0 HA PRO A 7 2.962 16.247 -11.268 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.449 17.435 -13.454 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.010 17.979 -12.872 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.557 16.843 -15.368 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.125 16.965 -14.595 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.299 14.588 -14.791 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.051 14.639 -14.799 1.00 0.00 H new ATOM 111 N SER A 8 0.324 16.538 -11.242 1.00 0.00 N ATOM 112 CA SER A 8 -1.060 16.302 -10.849 1.00 0.00 C ATOM 113 C SER A 8 -1.987 16.538 -12.034 1.00 0.00 C ATOM 114 O SER A 8 -1.569 17.083 -13.055 1.00 0.00 O ATOM 115 CB SER A 8 -1.450 17.217 -9.687 1.00 0.00 C ATOM 116 OG SER A 8 -2.773 16.954 -9.254 1.00 0.00 O ATOM 0 H SER A 8 0.672 17.472 -11.024 1.00 0.00 H new ATOM 0 HA SER A 8 -1.157 15.266 -10.523 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.757 17.073 -8.858 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.365 18.259 -9.996 1.00 0.00 H new ATOM 0 HG SER A 8 -2.998 17.550 -8.510 1.00 0.00 H new ATOM 122 N LEU A 9 -3.242 16.129 -11.902 1.00 0.00 N ATOM 123 CA LEU A 9 -4.203 16.310 -12.981 1.00 0.00 C ATOM 124 C LEU A 9 -5.600 16.588 -12.452 1.00 0.00 C ATOM 125 O LEU A 9 -6.018 16.042 -11.431 1.00 0.00 O ATOM 126 CB LEU A 9 -4.226 15.085 -13.892 1.00 0.00 C ATOM 127 CG LEU A 9 -3.678 15.323 -15.299 1.00 0.00 C ATOM 128 CD1 LEU A 9 -3.991 14.141 -16.202 1.00 0.00 C ATOM 129 CD2 LEU A 9 -4.236 16.607 -15.888 1.00 0.00 C ATOM 0 H LEU A 9 -3.615 15.675 -11.068 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.882 17.179 -13.556 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.648 14.289 -13.422 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.253 14.729 -13.973 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.595 15.425 -15.228 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.593 14.329 -17.199 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.534 13.240 -15.793 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.071 14.005 -16.262 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.831 16.754 -16.889 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.323 16.540 -15.942 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.955 17.449 -15.256 1.00 0.00 H new ATOM 141 N ASN A 10 -6.315 17.443 -13.168 1.00 0.00 N ATOM 142 CA ASN A 10 -7.677 17.809 -12.797 1.00 0.00 C ATOM 143 C ASN A 10 -8.425 18.395 -13.990 1.00 0.00 C ATOM 144 O ASN A 10 -7.984 19.377 -14.587 1.00 0.00 O ATOM 145 CB ASN A 10 -7.661 18.814 -11.645 1.00 0.00 C ATOM 146 CG ASN A 10 -6.948 20.101 -12.011 1.00 0.00 C ATOM 147 OD1 ASN A 10 -5.720 20.158 -12.038 1.00 0.00 O ATOM 148 ND2 ASN A 10 -7.720 21.144 -12.294 1.00 0.00 N ATOM 0 H ASN A 10 -5.974 17.899 -14.014 1.00 0.00 H new ATOM 0 HA ASN A 10 -8.195 16.906 -12.474 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.686 19.041 -11.350 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.172 18.364 -10.781 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.298 22.038 -12.546 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.735 21.051 -12.259 1.00 0.00 H new ATOM 155 N VAL A 11 -9.559 17.791 -14.332 1.00 0.00 N ATOM 156 CA VAL A 11 -10.361 18.265 -15.454 1.00 0.00 C ATOM 157 C VAL A 11 -11.221 19.454 -15.040 1.00 0.00 C ATOM 158 O VAL A 11 -12.203 19.302 -14.314 1.00 0.00 O ATOM 159 CB VAL A 11 -11.272 17.154 -16.012 1.00 0.00 C ATOM 160 CG1 VAL A 11 -12.027 17.648 -17.238 1.00 0.00 C ATOM 161 CG2 VAL A 11 -10.458 15.913 -16.344 1.00 0.00 C ATOM 0 H VAL A 11 -9.941 16.977 -13.851 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.665 18.571 -16.235 1.00 0.00 H new ATOM 0 HB VAL A 11 -12.001 16.889 -15.247 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.665 16.850 -17.618 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.642 18.506 -16.965 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.315 17.942 -18.009 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.118 15.139 -16.737 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.705 16.161 -17.092 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.967 15.548 -15.442 1.00 0.00 H new ATOM 171 N THR A 12 -10.839 20.640 -15.503 1.00 0.00 N ATOM 172 CA THR A 12 -11.568 21.860 -15.177 1.00 0.00 C ATOM 173 C THR A 12 -12.541 22.230 -16.282 1.00 0.00 C ATOM 174 O THR A 12 -12.163 22.407 -17.439 1.00 0.00 O ATOM 175 CB THR A 12 -10.595 23.012 -14.928 1.00 0.00 C ATOM 176 OG1 THR A 12 -10.127 23.547 -16.152 1.00 0.00 O ATOM 177 CG2 THR A 12 -9.387 22.609 -14.111 1.00 0.00 C ATOM 0 H THR A 12 -10.028 20.782 -16.105 1.00 0.00 H new ATOM 0 HA THR A 12 -12.140 21.675 -14.268 1.00 0.00 H new ATOM 0 HB THR A 12 -11.163 23.753 -14.365 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.603 23.125 -16.897 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.738 23.473 -13.971 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.712 22.239 -13.139 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.840 21.825 -14.634 1.00 0.00 H new ATOM 185 N LYS A 13 -13.802 22.343 -15.899 1.00 0.00 N ATOM 186 CA LYS A 13 -14.863 22.693 -16.835 1.00 0.00 C ATOM 187 C LYS A 13 -14.967 24.206 -16.998 1.00 0.00 C ATOM 188 O LYS A 13 -14.453 24.965 -16.177 1.00 0.00 O ATOM 189 CB LYS A 13 -16.201 22.129 -16.357 1.00 0.00 C ATOM 190 CG LYS A 13 -16.684 20.939 -17.167 1.00 0.00 C ATOM 191 CD LYS A 13 -18.141 20.620 -16.873 1.00 0.00 C ATOM 192 CE LYS A 13 -19.078 21.582 -17.585 1.00 0.00 C ATOM 193 NZ LYS A 13 -19.806 22.460 -16.628 1.00 0.00 N ATOM 0 H LYS A 13 -14.119 22.197 -14.941 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.617 22.256 -17.803 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -16.108 21.833 -15.312 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.954 22.916 -16.400 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.563 21.148 -18.230 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.067 20.069 -16.941 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -18.361 19.599 -17.185 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -18.315 20.670 -15.798 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.507 22.198 -18.280 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -19.797 21.016 -18.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.434 23.101 -17.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -20.372 21.874 -15.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -19.121 23.019 -16.080 1.00 0.00 H new ATOM 207 N ASP A 14 -15.636 24.637 -18.061 1.00 0.00 N ATOM 208 CA ASP A 14 -15.808 26.060 -18.327 1.00 0.00 C ATOM 209 C ASP A 14 -17.146 26.330 -19.004 1.00 0.00 C ATOM 210 O ASP A 14 -17.231 27.124 -19.941 1.00 0.00 O ATOM 211 CB ASP A 14 -14.666 26.577 -19.203 1.00 0.00 C ATOM 212 CG ASP A 14 -13.555 27.211 -18.389 1.00 0.00 C ATOM 213 OD1 ASP A 14 -12.754 26.462 -17.792 1.00 0.00 O ATOM 214 OD2 ASP A 14 -13.488 28.458 -18.348 1.00 0.00 O ATOM 0 H ASP A 14 -16.067 24.023 -18.752 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.793 26.587 -17.373 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.259 25.753 -19.788 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.057 27.308 -19.911 1.00 0.00 H new ATOM 219 N GLY A 15 -18.190 25.664 -18.523 1.00 0.00 N ATOM 220 CA GLY A 15 -19.511 25.847 -19.092 1.00 0.00 C ATOM 221 C GLY A 15 -19.808 24.879 -20.222 1.00 0.00 C ATOM 222 O GLY A 15 -20.914 24.872 -20.763 1.00 0.00 O ATOM 0 H GLY A 15 -18.144 25.001 -17.749 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.259 25.723 -18.309 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.603 26.868 -19.462 1.00 0.00 H new ATOM 226 N ASP A 16 -18.824 24.057 -20.586 1.00 0.00 N ATOM 227 CA ASP A 16 -19.000 23.085 -21.660 1.00 0.00 C ATOM 228 C ASP A 16 -17.674 22.424 -22.028 1.00 0.00 C ATOM 229 O ASP A 16 -17.577 21.199 -22.094 1.00 0.00 O ATOM 230 CB ASP A 16 -19.606 23.756 -22.896 1.00 0.00 C ATOM 231 CG ASP A 16 -21.075 23.428 -23.072 1.00 0.00 C ATOM 232 OD1 ASP A 16 -21.443 22.246 -22.907 1.00 0.00 O ATOM 233 OD2 ASP A 16 -21.857 24.353 -23.376 1.00 0.00 O ATOM 0 H ASP A 16 -17.900 24.046 -20.153 1.00 0.00 H new ATOM 0 HA ASP A 16 -19.682 22.314 -21.301 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.485 24.836 -22.815 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -19.057 23.440 -23.783 1.00 0.00 H new ATOM 238 N SER A 17 -16.655 23.243 -22.270 1.00 0.00 N ATOM 239 CA SER A 17 -15.336 22.740 -22.638 1.00 0.00 C ATOM 240 C SER A 17 -14.577 22.241 -21.411 1.00 0.00 C ATOM 241 O SER A 17 -14.798 22.714 -20.296 1.00 0.00 O ATOM 242 CB SER A 17 -14.530 23.835 -23.341 1.00 0.00 C ATOM 243 OG SER A 17 -13.444 23.286 -24.068 1.00 0.00 O ATOM 0 H SER A 17 -16.718 24.260 -22.218 1.00 0.00 H new ATOM 0 HA SER A 17 -15.473 21.901 -23.321 1.00 0.00 H new ATOM 0 HB2 SER A 17 -15.180 24.391 -24.017 1.00 0.00 H new ATOM 0 HB3 SER A 17 -14.155 24.545 -22.603 1.00 0.00 H new ATOM 0 HG SER A 17 -12.947 24.007 -24.508 1.00 0.00 H new ATOM 249 N TYR A 18 -13.681 21.283 -21.627 1.00 0.00 N ATOM 250 CA TYR A 18 -12.886 20.716 -20.542 1.00 0.00 C ATOM 251 C TYR A 18 -11.396 20.920 -20.795 1.00 0.00 C ATOM 252 O TYR A 18 -10.953 20.987 -21.942 1.00 0.00 O ATOM 253 CB TYR A 18 -13.190 19.224 -20.387 1.00 0.00 C ATOM 254 CG TYR A 18 -14.653 18.927 -20.148 1.00 0.00 C ATOM 255 CD1 TYR A 18 -15.590 19.104 -21.157 1.00 0.00 C ATOM 256 CD2 TYR A 18 -15.095 18.472 -18.913 1.00 0.00 C ATOM 257 CE1 TYR A 18 -16.928 18.837 -20.941 1.00 0.00 C ATOM 258 CE2 TYR A 18 -16.432 18.204 -18.688 1.00 0.00 C ATOM 259 CZ TYR A 18 -17.344 18.387 -19.705 1.00 0.00 C ATOM 260 OH TYR A 18 -18.676 18.123 -19.485 1.00 0.00 O ATOM 0 H TYR A 18 -13.487 20.882 -22.545 1.00 0.00 H new ATOM 0 HA TYR A 18 -13.153 21.233 -19.620 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.863 18.700 -21.285 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.607 18.827 -19.556 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -15.268 19.456 -22.126 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -14.382 18.325 -18.115 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -17.645 18.980 -21.736 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -16.760 17.853 -17.721 1.00 0.00 H new ATOM 0 HH TYR A 18 -19.047 17.647 -20.257 1.00 0.00 H new ATOM 270 N SER A 19 -10.626 21.018 -19.715 1.00 0.00 N ATOM 271 CA SER A 19 -9.184 21.214 -19.817 1.00 0.00 C ATOM 272 C SER A 19 -8.474 20.675 -18.580 1.00 0.00 C ATOM 273 O SER A 19 -8.978 20.792 -17.464 1.00 0.00 O ATOM 274 CB SER A 19 -8.863 22.699 -19.996 1.00 0.00 C ATOM 275 OG SER A 19 -9.757 23.507 -19.252 1.00 0.00 O ATOM 0 H SER A 19 -10.977 20.965 -18.759 1.00 0.00 H new ATOM 0 HA SER A 19 -8.827 20.664 -20.688 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.839 22.894 -19.676 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.923 22.962 -21.052 1.00 0.00 H new ATOM 0 HG SER A 19 -9.530 24.451 -19.382 1.00 0.00 H new ATOM 281 N LEU A 20 -7.303 20.080 -18.785 1.00 0.00 N ATOM 282 CA LEU A 20 -6.530 19.520 -17.680 1.00 0.00 C ATOM 283 C LEU A 20 -5.497 20.524 -17.173 1.00 0.00 C ATOM 284 O LEU A 20 -4.748 21.106 -17.956 1.00 0.00 O ATOM 285 CB LEU A 20 -5.820 18.224 -18.101 1.00 0.00 C ATOM 286 CG LEU A 20 -6.248 17.620 -19.442 1.00 0.00 C ATOM 287 CD1 LEU A 20 -5.563 16.278 -19.661 1.00 0.00 C ATOM 288 CD2 LEU A 20 -7.756 17.454 -19.500 1.00 0.00 C ATOM 0 H LEU A 20 -6.869 19.973 -19.702 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.231 19.293 -16.876 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.748 18.418 -18.140 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.981 17.478 -17.323 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.946 18.303 -20.236 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.877 15.861 -20.618 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.482 16.417 -19.663 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.839 15.593 -18.859 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.038 17.024 -20.461 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.080 16.792 -18.697 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.234 18.427 -19.384 1.00 0.00 H new ATOM 300 N ARG A 21 -5.456 20.712 -15.858 1.00 0.00 N ATOM 301 CA ARG A 21 -4.506 21.635 -15.247 1.00 0.00 C ATOM 302 C ARG A 21 -3.488 20.875 -14.410 1.00 0.00 C ATOM 303 O ARG A 21 -3.664 20.689 -13.206 1.00 0.00 O ATOM 304 CB ARG A 21 -5.235 22.663 -14.387 1.00 0.00 C ATOM 305 CG ARG A 21 -4.479 23.974 -14.227 1.00 0.00 C ATOM 306 CD ARG A 21 -5.389 25.088 -13.735 1.00 0.00 C ATOM 307 NE ARG A 21 -4.732 26.392 -13.775 1.00 0.00 N ATOM 308 CZ ARG A 21 -3.755 26.751 -12.948 1.00 0.00 C ATOM 309 NH1 ARG A 21 -3.326 25.908 -12.020 1.00 0.00 N ATOM 310 NH2 ARG A 21 -3.208 27.955 -13.051 1.00 0.00 N ATOM 0 H ARG A 21 -6.069 20.238 -15.195 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.979 22.160 -16.043 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.210 22.868 -14.829 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.416 22.236 -13.401 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.657 23.837 -13.524 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.037 24.259 -15.182 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.290 25.117 -14.348 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.705 24.873 -12.714 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.040 27.065 -14.477 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.745 24.982 -11.939 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.576 26.185 -11.386 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.537 28.605 -13.765 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.458 28.231 -12.417 1.00 0.00 H new ATOM 324 N TRP A 22 -2.427 20.432 -15.066 1.00 0.00 N ATOM 325 CA TRP A 22 -1.368 19.678 -14.403 1.00 0.00 C ATOM 326 C TRP A 22 -0.229 20.593 -13.964 1.00 0.00 C ATOM 327 O TRP A 22 0.362 21.300 -14.781 1.00 0.00 O ATOM 328 CB TRP A 22 -0.830 18.591 -15.339 1.00 0.00 C ATOM 329 CG TRP A 22 -0.451 19.113 -16.692 1.00 0.00 C ATOM 330 CD1 TRP A 22 0.657 19.841 -17.004 1.00 0.00 C ATOM 331 CD2 TRP A 22 -1.180 18.953 -17.910 1.00 0.00 C ATOM 332 NE1 TRP A 22 0.661 20.146 -18.343 1.00 0.00 N ATOM 333 CE2 TRP A 22 -0.458 19.611 -18.921 1.00 0.00 C ATOM 334 CE3 TRP A 22 -2.372 18.318 -18.244 1.00 0.00 C ATOM 335 CZ2 TRP A 22 -0.896 19.649 -20.242 1.00 0.00 C ATOM 336 CZ3 TRP A 22 -2.806 18.355 -19.551 1.00 0.00 C ATOM 337 CH2 TRP A 22 -2.073 19.016 -20.537 1.00 0.00 C ATOM 0 H TRP A 22 -2.274 20.581 -16.063 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.794 19.213 -13.514 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.041 18.123 -14.880 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.585 17.814 -15.455 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.422 20.136 -16.300 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.380 20.683 -18.827 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.949 17.804 -17.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.328 20.159 -21.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.730 17.864 -19.817 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -2.441 19.028 -21.552 1.00 0.00 H new ATOM 348 N GLU A 23 0.080 20.571 -12.671 1.00 0.00 N ATOM 349 CA GLU A 23 1.155 21.393 -12.129 1.00 0.00 C ATOM 350 C GLU A 23 2.391 20.543 -11.851 1.00 0.00 C ATOM 351 O GLU A 23 2.344 19.600 -11.062 1.00 0.00 O ATOM 352 CB GLU A 23 0.700 22.089 -10.846 1.00 0.00 C ATOM 353 CG GLU A 23 1.717 23.073 -10.296 1.00 0.00 C ATOM 354 CD GLU A 23 1.113 24.429 -9.993 1.00 0.00 C ATOM 355 OE1 GLU A 23 -0.093 24.484 -9.670 1.00 0.00 O ATOM 356 OE2 GLU A 23 1.843 25.438 -10.080 1.00 0.00 O ATOM 0 H GLU A 23 -0.399 19.993 -11.980 1.00 0.00 H new ATOM 0 HA GLU A 23 1.411 22.151 -12.869 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.235 22.615 -11.040 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.490 21.334 -10.088 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.157 22.664 -9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.527 23.193 -11.016 1.00 0.00 H new ATOM 363 N THR A 24 3.494 20.880 -12.510 1.00 0.00 N ATOM 364 CA THR A 24 4.742 20.142 -12.343 1.00 0.00 C ATOM 365 C THR A 24 5.481 20.580 -11.086 1.00 0.00 C ATOM 366 O THR A 24 5.350 21.720 -10.641 1.00 0.00 O ATOM 367 CB THR A 24 5.646 20.350 -13.557 1.00 0.00 C ATOM 368 OG1 THR A 24 5.246 21.493 -14.290 1.00 0.00 O ATOM 369 CG2 THR A 24 5.648 19.174 -14.508 1.00 0.00 C ATOM 0 H THR A 24 3.550 21.660 -13.165 1.00 0.00 H new ATOM 0 HA THR A 24 4.490 19.086 -12.248 1.00 0.00 H new ATOM 0 HB THR A 24 6.651 20.472 -13.152 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.469 21.271 -14.844 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.310 19.386 -15.348 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.999 18.284 -13.986 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.637 19.003 -14.877 1.00 0.00 H new ATOM 377 N MET A 25 6.275 19.671 -10.532 1.00 0.00 N ATOM 378 CA MET A 25 7.057 19.970 -9.340 1.00 0.00 C ATOM 379 C MET A 25 8.147 20.989 -9.665 1.00 0.00 C ATOM 380 O MET A 25 8.688 21.640 -8.771 1.00 0.00 O ATOM 381 CB MET A 25 7.676 18.692 -8.772 1.00 0.00 C ATOM 382 CG MET A 25 6.671 17.788 -8.074 1.00 0.00 C ATOM 383 SD MET A 25 5.635 16.877 -9.235 1.00 0.00 S ATOM 384 CE MET A 25 4.145 17.870 -9.217 1.00 0.00 C ATOM 0 H MET A 25 6.394 18.723 -10.889 1.00 0.00 H new ATOM 0 HA MET A 25 6.394 20.396 -8.587 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.151 18.137 -9.581 1.00 0.00 H new ATOM 0 HB3 MET A 25 8.462 18.961 -8.066 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.204 17.082 -7.437 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.038 18.390 -7.422 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.363 17.343 -8.671 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.349 18.823 -8.729 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.815 18.050 -10.240 1.00 0.00 H new ATOM 394 N LYS A 26 8.448 21.136 -10.957 1.00 0.00 N ATOM 395 CA LYS A 26 9.452 22.092 -11.414 1.00 0.00 C ATOM 396 C LYS A 26 10.876 21.600 -11.143 1.00 0.00 C ATOM 397 O LYS A 26 11.844 22.311 -11.418 1.00 0.00 O ATOM 398 CB LYS A 26 9.228 23.462 -10.761 1.00 0.00 C ATOM 399 CG LYS A 26 7.771 23.762 -10.418 1.00 0.00 C ATOM 400 CD LYS A 26 7.294 25.050 -11.064 1.00 0.00 C ATOM 401 CE LYS A 26 5.962 24.859 -11.773 1.00 0.00 C ATOM 402 NZ LYS A 26 5.426 26.141 -12.305 1.00 0.00 N ATOM 0 H LYS A 26 8.007 20.602 -11.706 1.00 0.00 H new ATOM 0 HA LYS A 26 9.338 22.190 -12.494 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.823 23.519 -9.850 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.598 24.237 -11.432 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.142 22.935 -10.748 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.660 23.835 -9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.195 25.824 -10.303 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.041 25.398 -11.778 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.085 24.150 -12.592 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.241 24.424 -11.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.432 26.013 -12.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.490 26.875 -11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.981 26.432 -13.135 1.00 0.00 H new ATOM 416 N MET A 27 11.008 20.385 -10.614 1.00 0.00 N ATOM 417 CA MET A 27 12.321 19.813 -10.324 1.00 0.00 C ATOM 418 C MET A 27 13.009 20.548 -9.180 1.00 0.00 C ATOM 419 O MET A 27 13.301 19.958 -8.139 1.00 0.00 O ATOM 420 CB MET A 27 13.208 19.856 -11.569 1.00 0.00 C ATOM 421 CG MET A 27 12.453 19.625 -12.866 1.00 0.00 C ATOM 422 SD MET A 27 11.353 18.197 -12.786 1.00 0.00 S ATOM 423 CE MET A 27 9.757 18.993 -12.947 1.00 0.00 C ATOM 0 H MET A 27 10.223 19.778 -10.378 1.00 0.00 H new ATOM 0 HA MET A 27 12.168 18.777 -10.023 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.705 20.825 -11.616 1.00 0.00 H new ATOM 0 HB3 MET A 27 13.989 19.101 -11.474 1.00 0.00 H new ATOM 0 HG2 MET A 27 11.870 20.514 -13.106 1.00 0.00 H new ATOM 0 HG3 MET A 27 13.167 19.483 -13.677 1.00 0.00 H new ATOM 0 HE1 MET A 27 9.202 18.888 -12.015 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.899 20.051 -13.168 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.197 18.525 -13.757 1.00 0.00 H new ATOM 433 N ARG A 28 13.270 21.840 -9.380 1.00 0.00 N ATOM 434 CA ARG A 28 13.930 22.666 -8.368 1.00 0.00 C ATOM 435 C ARG A 28 15.443 22.461 -8.406 1.00 0.00 C ATOM 436 O ARG A 28 16.116 22.556 -7.380 1.00 0.00 O ATOM 437 CB ARG A 28 13.392 22.357 -6.964 1.00 0.00 C ATOM 438 CG ARG A 28 11.909 22.018 -6.938 1.00 0.00 C ATOM 439 CD ARG A 28 11.195 22.699 -5.783 1.00 0.00 C ATOM 440 NE ARG A 28 11.592 22.148 -4.490 1.00 0.00 N ATOM 441 CZ ARG A 28 11.088 22.558 -3.330 1.00 0.00 C ATOM 442 NH1 ARG A 28 10.171 23.516 -3.303 1.00 0.00 N ATOM 443 NH2 ARG A 28 11.499 22.008 -2.196 1.00 0.00 N ATOM 0 H ARG A 28 13.033 22.339 -10.237 1.00 0.00 H new ATOM 0 HA ARG A 28 13.711 23.709 -8.598 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.954 21.522 -6.545 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.570 23.217 -6.319 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.450 22.322 -7.879 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.784 20.938 -6.857 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.411 23.767 -5.803 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.118 22.589 -5.908 1.00 0.00 H new ATOM 0 HE ARG A 28 12.294 21.408 -4.476 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.851 23.940 -4.174 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.786 23.829 -2.412 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.202 21.270 -2.213 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.112 22.323 -1.307 1.00 0.00 H new ATOM 457 N TYR A 29 15.972 22.183 -9.597 1.00 0.00 N ATOM 458 CA TYR A 29 17.408 21.971 -9.761 1.00 0.00 C ATOM 459 C TYR A 29 18.088 23.238 -10.272 1.00 0.00 C ATOM 460 O TYR A 29 18.929 23.820 -9.588 1.00 0.00 O ATOM 461 CB TYR A 29 17.678 20.806 -10.721 1.00 0.00 C ATOM 462 CG TYR A 29 17.334 19.449 -10.145 1.00 0.00 C ATOM 463 CD1 TYR A 29 17.554 19.160 -8.803 1.00 0.00 C ATOM 464 CD2 TYR A 29 16.787 18.454 -10.945 1.00 0.00 C ATOM 465 CE1 TYR A 29 17.238 17.921 -8.277 1.00 0.00 C ATOM 466 CE2 TYR A 29 16.469 17.213 -10.427 1.00 0.00 C ATOM 467 CZ TYR A 29 16.695 16.952 -9.094 1.00 0.00 C ATOM 468 OH TYR A 29 16.377 15.718 -8.575 1.00 0.00 O ATOM 0 H TYR A 29 15.431 22.100 -10.457 1.00 0.00 H new ATOM 0 HA TYR A 29 17.824 21.723 -8.784 1.00 0.00 H new ATOM 0 HB2 TYR A 29 17.103 20.959 -11.634 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.731 20.815 -11.002 1.00 0.00 H new ATOM 0 HD1 TYR A 29 17.979 19.917 -8.160 1.00 0.00 H new ATOM 0 HD2 TYR A 29 16.607 18.654 -11.991 1.00 0.00 H new ATOM 0 HE1 TYR A 29 17.415 17.713 -7.232 1.00 0.00 H new ATOM 0 HE2 TYR A 29 16.045 16.451 -11.065 1.00 0.00 H new ATOM 0 HH TYR A 29 16.003 15.152 -9.282 1.00 0.00 H new ATOM 478 N GLU A 30 17.721 23.661 -11.479 1.00 0.00 N ATOM 479 CA GLU A 30 18.301 24.861 -12.076 1.00 0.00 C ATOM 480 C GLU A 30 17.321 25.518 -13.050 1.00 0.00 C ATOM 481 O GLU A 30 16.532 26.379 -12.663 1.00 0.00 O ATOM 482 CB GLU A 30 19.610 24.513 -12.790 1.00 0.00 C ATOM 483 CG GLU A 30 20.814 24.457 -11.862 1.00 0.00 C ATOM 484 CD GLU A 30 21.915 25.412 -12.278 1.00 0.00 C ATOM 485 OE1 GLU A 30 22.773 25.013 -13.093 1.00 0.00 O ATOM 486 OE2 GLU A 30 21.919 26.562 -11.789 1.00 0.00 O ATOM 0 H GLU A 30 17.027 23.192 -12.061 1.00 0.00 H new ATOM 0 HA GLU A 30 18.511 25.573 -11.278 1.00 0.00 H new ATOM 0 HB2 GLU A 30 19.499 23.548 -13.285 1.00 0.00 H new ATOM 0 HB3 GLU A 30 19.797 25.252 -13.569 1.00 0.00 H new ATOM 0 HG2 GLU A 30 20.497 24.694 -10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 30 21.207 23.441 -11.844 1.00 0.00 H new ATOM 493 N HIS A 31 17.372 25.102 -14.314 1.00 0.00 N ATOM 494 CA HIS A 31 16.490 25.640 -15.342 1.00 0.00 C ATOM 495 C HIS A 31 16.232 24.576 -16.401 1.00 0.00 C ATOM 496 O HIS A 31 16.499 24.777 -17.585 1.00 0.00 O ATOM 497 CB HIS A 31 17.110 26.886 -15.981 1.00 0.00 C ATOM 498 CG HIS A 31 16.513 28.171 -15.494 1.00 0.00 C ATOM 499 ND1 HIS A 31 16.580 28.774 -14.283 1.00 0.00 N flip ATOM 500 CD2 HIS A 31 15.745 28.996 -16.289 1.00 0.00 C flip ATOM 501 CE1 HIS A 31 15.857 29.940 -14.369 1.00 0.00 C flip ATOM 502 NE2 HIS A 31 15.366 30.050 -15.589 1.00 0.00 N flip ATOM 0 H HIS A 31 18.020 24.389 -14.650 1.00 0.00 H new ATOM 0 HA HIS A 31 15.543 25.926 -14.884 1.00 0.00 H new ATOM 0 HB2 HIS A 31 18.181 26.893 -15.778 1.00 0.00 H new ATOM 0 HB3 HIS A 31 16.991 26.827 -17.063 1.00 0.00 H new ATOM 0 HD1 HIS A 31 17.075 28.428 -13.461 1.00 0.00 H new ATOM 0 HD2 HIS A 31 15.493 28.809 -17.322 1.00 0.00 H new ATOM 0 HE1 HIS A 31 15.714 30.651 -13.568 1.00 0.00 H new ATOM 511 N ILE A 32 15.728 23.433 -15.950 1.00 0.00 N ATOM 512 CA ILE A 32 15.447 22.308 -16.834 1.00 0.00 C ATOM 513 C ILE A 32 14.260 22.570 -17.748 1.00 0.00 C ATOM 514 O ILE A 32 13.353 23.332 -17.416 1.00 0.00 O ATOM 515 CB ILE A 32 15.143 21.023 -16.040 1.00 0.00 C ATOM 516 CG1 ILE A 32 16.102 20.860 -14.864 1.00 0.00 C ATOM 517 CG2 ILE A 32 15.207 19.810 -16.958 1.00 0.00 C ATOM 518 CD1 ILE A 32 15.887 19.572 -14.103 1.00 0.00 C ATOM 0 H ILE A 32 15.504 23.261 -14.970 1.00 0.00 H new ATOM 0 HA ILE A 32 16.349 22.182 -17.432 1.00 0.00 H new ATOM 0 HB ILE A 32 14.134 21.104 -15.636 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.128 20.892 -15.231 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.981 21.703 -14.183 1.00 0.00 H new ATOM 0 HG21 ILE A 32 14.990 18.908 -16.385 1.00 0.00 H new ATOM 0 HG22 ILE A 32 14.472 19.918 -17.756 1.00 0.00 H new ATOM 0 HG23 ILE A 32 16.204 19.734 -17.391 1.00 0.00 H new ATOM 0 HD11 ILE A 32 16.598 19.513 -13.279 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.871 19.548 -13.708 1.00 0.00 H new ATOM 0 HD13 ILE A 32 16.036 18.725 -14.772 1.00 0.00 H new ATOM 530 N ASP A 33 14.263 21.887 -18.885 1.00 0.00 N ATOM 531 CA ASP A 33 13.180 21.983 -19.849 1.00 0.00 C ATOM 532 C ASP A 33 12.239 20.803 -19.642 1.00 0.00 C ATOM 533 O ASP A 33 12.575 19.866 -18.920 1.00 0.00 O ATOM 534 CB ASP A 33 13.730 21.985 -21.275 1.00 0.00 C ATOM 535 CG ASP A 33 13.396 23.261 -22.021 1.00 0.00 C ATOM 536 OD1 ASP A 33 13.149 24.289 -21.357 1.00 0.00 O ATOM 537 OD2 ASP A 33 13.380 23.232 -23.269 1.00 0.00 O ATOM 0 H ASP A 33 15.013 21.254 -19.162 1.00 0.00 H new ATOM 0 HA ASP A 33 12.638 22.917 -19.700 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.812 21.858 -21.244 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.324 21.132 -21.819 1.00 0.00 H new ATOM 542 N HIS A 34 11.062 20.841 -20.249 1.00 0.00 N ATOM 543 CA HIS A 34 10.116 19.745 -20.072 1.00 0.00 C ATOM 544 C HIS A 34 9.104 19.655 -21.212 1.00 0.00 C ATOM 545 O HIS A 34 8.736 20.659 -21.822 1.00 0.00 O ATOM 546 CB HIS A 34 9.381 19.902 -18.735 1.00 0.00 C ATOM 547 CG HIS A 34 10.287 19.891 -17.538 1.00 0.00 C ATOM 548 ND1 HIS A 34 10.749 21.041 -16.932 1.00 0.00 N ATOM 549 CD2 HIS A 34 10.813 18.862 -16.829 1.00 0.00 C ATOM 550 CE1 HIS A 34 11.518 20.719 -15.906 1.00 0.00 C ATOM 551 NE2 HIS A 34 11.573 19.404 -15.824 1.00 0.00 N ATOM 0 H HIS A 34 10.743 21.597 -20.854 1.00 0.00 H new ATOM 0 HA HIS A 34 10.691 18.819 -20.076 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.822 20.838 -18.747 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.653 19.097 -18.635 1.00 0.00 H new ATOM 0 HD1 HIS A 34 10.531 21.992 -17.229 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.662 17.810 -17.020 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.016 21.415 -15.247 1.00 0.00 H new ATOM 560 N THR A 35 8.649 18.432 -21.470 1.00 0.00 N ATOM 561 CA THR A 35 7.664 18.164 -22.509 1.00 0.00 C ATOM 562 C THR A 35 6.617 17.192 -21.977 1.00 0.00 C ATOM 563 O THR A 35 6.958 16.165 -21.390 1.00 0.00 O ATOM 564 CB THR A 35 8.336 17.587 -23.756 1.00 0.00 C ATOM 565 OG1 THR A 35 9.224 18.530 -24.328 1.00 0.00 O ATOM 566 CG2 THR A 35 7.353 17.173 -24.831 1.00 0.00 C ATOM 0 H THR A 35 8.954 17.600 -20.964 1.00 0.00 H new ATOM 0 HA THR A 35 7.181 19.100 -22.787 1.00 0.00 H new ATOM 0 HB THR A 35 8.868 16.700 -23.412 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.522 18.209 -25.204 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.897 16.773 -25.687 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.683 16.409 -24.437 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.770 18.039 -25.144 1.00 0.00 H new ATOM 574 N PHE A 36 5.347 17.528 -22.155 1.00 0.00 N ATOM 575 CA PHE A 36 4.269 16.684 -21.656 1.00 0.00 C ATOM 576 C PHE A 36 3.563 15.926 -22.773 1.00 0.00 C ATOM 577 O PHE A 36 3.334 16.457 -23.860 1.00 0.00 O ATOM 578 CB PHE A 36 3.259 17.532 -20.885 1.00 0.00 C ATOM 579 CG PHE A 36 3.882 18.333 -19.778 1.00 0.00 C ATOM 580 CD1 PHE A 36 4.087 17.769 -18.529 1.00 0.00 C ATOM 581 CD2 PHE A 36 4.269 19.647 -19.987 1.00 0.00 C ATOM 582 CE1 PHE A 36 4.663 18.501 -17.509 1.00 0.00 C ATOM 583 CE2 PHE A 36 4.847 20.384 -18.971 1.00 0.00 C ATOM 584 CZ PHE A 36 5.044 19.810 -17.729 1.00 0.00 C ATOM 0 H PHE A 36 5.039 18.372 -22.637 1.00 0.00 H new ATOM 0 HA PHE A 36 4.716 15.944 -20.992 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.759 18.209 -21.578 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.492 16.881 -20.466 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.793 16.745 -18.351 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.117 20.100 -20.955 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.815 18.050 -16.540 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.144 21.407 -19.147 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.495 20.384 -16.933 1.00 0.00 H new ATOM 594 N GLU A 37 3.202 14.682 -22.478 1.00 0.00 N ATOM 595 CA GLU A 37 2.498 13.832 -23.428 1.00 0.00 C ATOM 596 C GLU A 37 1.143 13.436 -22.852 1.00 0.00 C ATOM 597 O GLU A 37 1.050 12.520 -22.035 1.00 0.00 O ATOM 598 CB GLU A 37 3.322 12.582 -23.746 1.00 0.00 C ATOM 599 CG GLU A 37 3.495 12.327 -25.235 1.00 0.00 C ATOM 600 CD GLU A 37 4.882 12.683 -25.731 1.00 0.00 C ATOM 601 OE1 GLU A 37 5.118 13.872 -26.035 1.00 0.00 O ATOM 602 OE2 GLU A 37 5.733 11.774 -25.814 1.00 0.00 O ATOM 0 H GLU A 37 3.388 14.238 -21.579 1.00 0.00 H new ATOM 0 HA GLU A 37 2.348 14.387 -24.354 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.306 12.679 -23.286 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.842 11.716 -23.291 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.297 11.276 -25.445 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.756 12.907 -25.787 1.00 0.00 H new ATOM 609 N ILE A 38 0.100 14.150 -23.266 1.00 0.00 N ATOM 610 CA ILE A 38 -1.248 13.891 -22.775 1.00 0.00 C ATOM 611 C ILE A 38 -1.904 12.730 -23.518 1.00 0.00 C ATOM 612 O ILE A 38 -1.674 12.523 -24.709 1.00 0.00 O ATOM 613 CB ILE A 38 -2.137 15.154 -22.895 1.00 0.00 C ATOM 614 CG1 ILE A 38 -1.623 16.251 -21.963 1.00 0.00 C ATOM 615 CG2 ILE A 38 -3.592 14.839 -22.571 1.00 0.00 C ATOM 616 CD1 ILE A 38 -0.317 16.870 -22.408 1.00 0.00 C ATOM 0 H ILE A 38 0.164 14.912 -23.941 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.156 13.620 -21.723 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.086 15.503 -23.926 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.378 17.034 -21.888 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.495 15.835 -20.964 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.190 15.746 -22.664 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.964 14.086 -23.265 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.664 14.460 -21.552 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.018 17.639 -21.696 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.453 16.100 -22.455 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.444 17.318 -23.394 1.00 0.00 H new ATOM 628 N GLN A 39 -2.728 11.984 -22.792 1.00 0.00 N ATOM 629 CA GLN A 39 -3.441 10.842 -23.350 1.00 0.00 C ATOM 630 C GLN A 39 -4.764 10.654 -22.616 1.00 0.00 C ATOM 631 O GLN A 39 -4.773 10.234 -21.461 1.00 0.00 O ATOM 632 CB GLN A 39 -2.585 9.577 -23.222 1.00 0.00 C ATOM 633 CG GLN A 39 -3.017 8.448 -24.141 1.00 0.00 C ATOM 634 CD GLN A 39 -1.915 7.431 -24.371 1.00 0.00 C ATOM 635 OE1 GLN A 39 -1.119 7.178 -23.338 1.00 0.00 O flip ATOM 636 NE2 GLN A 39 -1.781 6.881 -25.464 1.00 0.00 N flip ATOM 0 H GLN A 39 -2.920 12.153 -21.805 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.641 11.026 -24.406 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.546 9.829 -23.436 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.622 9.227 -22.190 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.885 7.947 -23.712 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.329 8.863 -25.099 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.416 7.106 -26.230 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.035 6.200 -25.604 1.00 0.00 H new ATOM 645 N TYR A 40 -5.879 10.975 -23.273 1.00 0.00 N ATOM 646 CA TYR A 40 -7.187 10.839 -22.637 1.00 0.00 C ATOM 647 C TYR A 40 -8.016 9.722 -23.260 1.00 0.00 C ATOM 648 O TYR A 40 -8.425 9.796 -24.419 1.00 0.00 O ATOM 649 CB TYR A 40 -7.971 12.158 -22.663 1.00 0.00 C ATOM 650 CG TYR A 40 -7.689 13.047 -23.854 1.00 0.00 C ATOM 651 CD1 TYR A 40 -6.441 13.631 -24.031 1.00 0.00 C ATOM 652 CD2 TYR A 40 -8.679 13.314 -24.792 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.186 14.453 -25.111 1.00 0.00 C ATOM 654 CE2 TYR A 40 -8.431 14.138 -25.873 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.184 14.703 -26.029 1.00 0.00 C ATOM 656 OH TYR A 40 -6.933 15.523 -27.104 1.00 0.00 O ATOM 0 H TYR A 40 -5.903 11.326 -24.231 1.00 0.00 H new ATOM 0 HA TYR A 40 -6.995 10.574 -21.597 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -9.037 11.930 -22.643 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.747 12.714 -21.753 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.658 13.439 -23.313 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -9.657 12.871 -24.674 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.210 14.898 -25.236 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.211 14.338 -26.593 1.00 0.00 H new ATOM 0 HH TYR A 40 -5.968 15.673 -27.182 1.00 0.00 H new ATOM 666 N ARG A 41 -8.271 8.698 -22.457 1.00 0.00 N ATOM 667 CA ARG A 41 -9.062 7.550 -22.870 1.00 0.00 C ATOM 668 C ARG A 41 -10.467 7.683 -22.290 1.00 0.00 C ATOM 669 O ARG A 41 -10.736 8.595 -21.512 1.00 0.00 O ATOM 670 CB ARG A 41 -8.368 6.251 -22.396 1.00 0.00 C ATOM 671 CG ARG A 41 -9.302 5.108 -22.004 1.00 0.00 C ATOM 672 CD ARG A 41 -8.559 3.978 -21.316 1.00 0.00 C ATOM 673 NE ARG A 41 -9.375 2.772 -21.205 1.00 0.00 N ATOM 674 CZ ARG A 41 -10.283 2.580 -20.253 1.00 0.00 C ATOM 675 NH1 ARG A 41 -10.501 3.517 -19.341 1.00 0.00 N ATOM 676 NH2 ARG A 41 -10.976 1.450 -20.215 1.00 0.00 N ATOM 0 H ARG A 41 -7.933 8.641 -21.496 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.142 7.508 -23.956 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.709 5.901 -23.191 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.736 6.489 -21.540 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.080 5.487 -21.341 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.800 4.725 -22.895 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.650 3.750 -21.873 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.251 4.300 -20.321 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.241 2.035 -21.897 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.971 4.388 -19.368 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.198 3.367 -18.612 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.813 0.728 -20.916 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.672 1.303 -19.484 1.00 0.00 H new ATOM 690 N LYS A 42 -11.358 6.780 -22.667 1.00 0.00 N ATOM 691 CA LYS A 42 -12.720 6.815 -22.168 1.00 0.00 C ATOM 692 C LYS A 42 -13.102 5.492 -21.533 1.00 0.00 C ATOM 693 O LYS A 42 -12.591 4.438 -21.911 1.00 0.00 O ATOM 694 CB LYS A 42 -13.680 7.143 -23.305 1.00 0.00 C ATOM 695 CG LYS A 42 -13.203 8.301 -24.149 1.00 0.00 C ATOM 696 CD LYS A 42 -13.787 8.256 -25.552 1.00 0.00 C ATOM 697 CE LYS A 42 -12.866 7.529 -26.519 1.00 0.00 C ATOM 698 NZ LYS A 42 -12.489 8.385 -27.679 1.00 0.00 N ATOM 0 H LYS A 42 -11.162 6.017 -23.315 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.785 7.590 -21.404 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.803 6.264 -23.937 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.661 7.379 -22.892 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.482 9.239 -23.669 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.115 8.284 -24.208 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.756 7.758 -25.527 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.960 9.272 -25.907 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.965 7.213 -25.993 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.358 6.626 -26.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.472 7.809 -28.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.185 9.150 -27.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.547 8.794 -27.517 1.00 0.00 H new ATOM 712 N ASP A 43 -14.024 5.547 -20.580 1.00 0.00 N ATOM 713 CA ASP A 43 -14.493 4.343 -19.915 1.00 0.00 C ATOM 714 C ASP A 43 -14.960 3.327 -20.959 1.00 0.00 C ATOM 715 O ASP A 43 -15.002 2.127 -20.694 1.00 0.00 O ATOM 716 CB ASP A 43 -15.625 4.687 -18.935 1.00 0.00 C ATOM 717 CG ASP A 43 -16.422 3.472 -18.490 1.00 0.00 C ATOM 718 OD1 ASP A 43 -15.808 2.408 -18.269 1.00 0.00 O ATOM 719 OD2 ASP A 43 -17.660 3.587 -18.367 1.00 0.00 O ATOM 0 H ASP A 43 -14.459 6.410 -20.253 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.676 3.902 -19.344 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -15.201 5.177 -18.058 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -16.299 5.403 -19.405 1.00 0.00 H new ATOM 724 N THR A 44 -15.299 3.824 -22.150 1.00 0.00 N ATOM 725 CA THR A 44 -15.748 2.963 -23.234 1.00 0.00 C ATOM 726 C THR A 44 -14.599 2.659 -24.192 1.00 0.00 C ATOM 727 O THR A 44 -14.592 1.623 -24.857 1.00 0.00 O ATOM 728 CB THR A 44 -16.902 3.623 -23.990 1.00 0.00 C ATOM 729 OG1 THR A 44 -17.373 2.779 -25.025 1.00 0.00 O ATOM 730 CG2 THR A 44 -16.529 4.951 -24.614 1.00 0.00 C ATOM 0 H THR A 44 -15.270 4.817 -22.383 1.00 0.00 H new ATOM 0 HA THR A 44 -16.097 2.024 -22.804 1.00 0.00 H new ATOM 0 HB THR A 44 -17.674 3.797 -23.241 1.00 0.00 H new ATOM 0 HG1 THR A 44 -18.112 3.219 -25.495 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.393 5.364 -25.134 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.210 5.643 -23.834 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.715 4.804 -25.323 1.00 0.00 H new ATOM 738 N ALA A 45 -13.627 3.568 -24.259 1.00 0.00 N ATOM 739 CA ALA A 45 -12.476 3.390 -25.141 1.00 0.00 C ATOM 740 C ALA A 45 -11.446 2.444 -24.523 1.00 0.00 C ATOM 741 O ALA A 45 -11.626 1.957 -23.408 1.00 0.00 O ATOM 742 CB ALA A 45 -11.837 4.733 -25.456 1.00 0.00 C ATOM 0 H ALA A 45 -13.614 4.431 -23.716 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.831 2.942 -26.069 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.981 4.583 -26.114 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.566 5.376 -25.949 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.505 5.204 -24.531 1.00 0.00 H new ATOM 748 N THR A 46 -10.366 2.187 -25.260 1.00 0.00 N ATOM 749 CA THR A 46 -9.309 1.296 -24.786 1.00 0.00 C ATOM 750 C THR A 46 -8.093 2.088 -24.311 1.00 0.00 C ATOM 751 O THR A 46 -7.707 2.000 -23.149 1.00 0.00 O ATOM 752 CB THR A 46 -8.899 0.324 -25.892 1.00 0.00 C ATOM 753 OG1 THR A 46 -9.644 0.562 -27.073 1.00 0.00 O ATOM 754 CG2 THR A 46 -9.092 -1.130 -25.514 1.00 0.00 C ATOM 0 H THR A 46 -10.201 2.582 -26.186 1.00 0.00 H new ATOM 0 HA THR A 46 -9.701 0.731 -23.940 1.00 0.00 H new ATOM 0 HB THR A 46 -7.836 0.504 -26.053 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.365 -0.069 -27.769 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.782 -1.766 -26.343 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.490 -1.360 -24.635 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.143 -1.312 -25.291 1.00 0.00 H new ATOM 762 N TRP A 47 -7.506 2.859 -25.225 1.00 0.00 N ATOM 763 CA TRP A 47 -6.332 3.688 -24.930 1.00 0.00 C ATOM 764 C TRP A 47 -5.726 4.209 -26.227 1.00 0.00 C ATOM 765 O TRP A 47 -5.296 5.357 -26.309 1.00 0.00 O ATOM 766 CB TRP A 47 -5.266 2.907 -24.152 1.00 0.00 C ATOM 767 CG TRP A 47 -5.354 3.076 -22.664 1.00 0.00 C ATOM 768 CD1 TRP A 47 -5.439 2.079 -21.736 1.00 0.00 C ATOM 769 CD2 TRP A 47 -5.368 4.309 -21.931 1.00 0.00 C ATOM 770 NE1 TRP A 47 -5.513 2.613 -20.474 1.00 0.00 N ATOM 771 CE2 TRP A 47 -5.472 3.979 -20.566 1.00 0.00 C ATOM 772 CE3 TRP A 47 -5.308 5.659 -22.294 1.00 0.00 C ATOM 773 CZ2 TRP A 47 -5.517 4.946 -19.567 1.00 0.00 C ATOM 774 CZ3 TRP A 47 -5.351 6.618 -21.297 1.00 0.00 C ATOM 775 CH2 TRP A 47 -5.456 6.256 -19.949 1.00 0.00 C ATOM 0 H TRP A 47 -7.828 2.929 -26.190 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.665 4.521 -24.310 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -5.357 1.848 -24.394 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -4.279 3.227 -24.486 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.447 1.023 -21.962 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.587 2.079 -19.608 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.230 5.947 -23.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.597 4.671 -18.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.303 7.663 -21.564 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.489 7.029 -19.195 1.00 0.00 H new ATOM 786 N LYS A 48 -5.699 3.351 -27.240 1.00 0.00 N ATOM 787 CA LYS A 48 -5.151 3.719 -28.541 1.00 0.00 C ATOM 788 C LYS A 48 -6.005 4.794 -29.213 1.00 0.00 C ATOM 789 O LYS A 48 -5.566 5.442 -30.162 1.00 0.00 O ATOM 790 CB LYS A 48 -5.064 2.487 -29.443 1.00 0.00 C ATOM 791 CG LYS A 48 -4.062 1.448 -28.965 1.00 0.00 C ATOM 792 CD LYS A 48 -4.748 0.144 -28.598 1.00 0.00 C ATOM 793 CE LYS A 48 -3.891 -1.059 -28.955 1.00 0.00 C ATOM 794 NZ LYS A 48 -4.677 -2.115 -29.649 1.00 0.00 N ATOM 0 H LYS A 48 -6.050 2.395 -27.186 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.151 4.123 -28.384 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.049 2.025 -29.508 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.793 2.804 -30.450 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.324 1.265 -29.746 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.522 1.833 -28.100 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.963 0.134 -27.530 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.704 0.077 -29.117 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.067 -0.741 -29.594 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.450 -1.472 -28.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.056 -2.918 -29.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.448 -2.437 -29.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.077 -1.729 -30.528 1.00 0.00 H new ATOM 808 N ASP A 49 -7.228 4.975 -28.719 1.00 0.00 N ATOM 809 CA ASP A 49 -8.140 5.966 -29.276 1.00 0.00 C ATOM 810 C ASP A 49 -8.005 7.318 -28.571 1.00 0.00 C ATOM 811 O ASP A 49 -8.591 8.310 -29.005 1.00 0.00 O ATOM 812 CB ASP A 49 -9.582 5.467 -29.166 1.00 0.00 C ATOM 813 CG ASP A 49 -9.908 4.412 -30.206 1.00 0.00 C ATOM 814 OD1 ASP A 49 -9.126 4.264 -31.167 1.00 0.00 O ATOM 815 OD2 ASP A 49 -10.946 3.733 -30.057 1.00 0.00 O ATOM 0 H ASP A 49 -7.609 4.447 -27.934 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.878 6.107 -30.325 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.746 5.055 -28.170 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.265 6.309 -29.280 1.00 0.00 H new ATOM 820 N SER A 50 -7.239 7.356 -27.481 1.00 0.00 N ATOM 821 CA SER A 50 -7.048 8.592 -26.727 1.00 0.00 C ATOM 822 C SER A 50 -6.159 9.576 -27.483 1.00 0.00 C ATOM 823 O SER A 50 -5.003 9.278 -27.782 1.00 0.00 O ATOM 824 CB SER A 50 -6.427 8.293 -25.362 1.00 0.00 C ATOM 825 OG SER A 50 -5.189 7.618 -25.500 1.00 0.00 O ATOM 0 H SER A 50 -6.743 6.549 -27.103 1.00 0.00 H new ATOM 0 HA SER A 50 -8.029 9.047 -26.591 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.278 9.224 -24.815 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.113 7.684 -24.773 1.00 0.00 H new ATOM 0 HG SER A 50 -5.344 6.651 -25.518 1.00 0.00 H new ATOM 831 N LYS A 51 -6.701 10.754 -27.777 1.00 0.00 N ATOM 832 CA LYS A 51 -5.955 11.784 -28.480 1.00 0.00 C ATOM 833 C LYS A 51 -4.637 12.076 -27.772 1.00 0.00 C ATOM 834 O LYS A 51 -4.622 12.626 -26.670 1.00 0.00 O ATOM 835 CB LYS A 51 -6.785 13.061 -28.564 1.00 0.00 C ATOM 836 CG LYS A 51 -7.433 13.280 -29.916 1.00 0.00 C ATOM 837 CD LYS A 51 -8.364 12.138 -30.278 1.00 0.00 C ATOM 838 CE LYS A 51 -9.523 12.031 -29.302 1.00 0.00 C ATOM 839 NZ LYS A 51 -10.432 10.901 -29.640 1.00 0.00 N ATOM 0 H LYS A 51 -7.657 11.016 -27.537 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.738 11.424 -29.486 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.562 13.030 -27.800 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.147 13.914 -28.335 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.991 14.216 -29.906 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.661 13.377 -30.679 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.749 12.288 -31.287 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.806 11.202 -30.286 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.136 11.896 -28.292 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.087 12.964 -29.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.286 10.953 -29.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.701 10.960 -30.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.944 9.999 -29.465 1.00 0.00 H new ATOM 853 N THR A 52 -3.535 11.709 -28.411 1.00 0.00 N ATOM 854 CA THR A 52 -2.212 11.937 -27.838 1.00 0.00 C ATOM 855 C THR A 52 -1.785 13.389 -28.023 1.00 0.00 C ATOM 856 O THR A 52 -1.303 13.773 -29.088 1.00 0.00 O ATOM 857 CB THR A 52 -1.182 11.006 -28.483 1.00 0.00 C ATOM 858 OG1 THR A 52 -1.559 9.650 -28.319 1.00 0.00 O ATOM 859 CG2 THR A 52 0.211 11.167 -27.912 1.00 0.00 C ATOM 0 H THR A 52 -3.528 11.253 -29.324 1.00 0.00 H new ATOM 0 HA THR A 52 -2.265 11.722 -26.771 1.00 0.00 H new ATOM 0 HB THR A 52 -1.160 11.285 -29.536 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.889 9.071 -28.739 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.891 10.478 -28.413 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.552 12.191 -28.067 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.194 10.948 -26.844 1.00 0.00 H new ATOM 867 N GLU A 53 -1.964 14.193 -26.979 1.00 0.00 N ATOM 868 CA GLU A 53 -1.595 15.603 -27.032 1.00 0.00 C ATOM 869 C GLU A 53 -0.143 15.800 -26.618 1.00 0.00 C ATOM 870 O GLU A 53 0.318 15.220 -25.634 1.00 0.00 O ATOM 871 CB GLU A 53 -2.509 16.432 -26.129 1.00 0.00 C ATOM 872 CG GLU A 53 -3.279 17.515 -26.871 1.00 0.00 C ATOM 873 CD GLU A 53 -2.370 18.444 -27.653 1.00 0.00 C ATOM 874 OE1 GLU A 53 -1.157 18.477 -27.358 1.00 0.00 O ATOM 875 OE2 GLU A 53 -2.873 19.140 -28.560 1.00 0.00 O ATOM 0 H GLU A 53 -2.361 13.893 -26.089 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.713 15.941 -28.061 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.218 15.767 -25.635 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.909 16.896 -25.346 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.989 17.048 -27.553 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.860 18.098 -26.156 1.00 0.00 H new ATOM 882 N THR A 54 0.571 16.620 -27.377 1.00 0.00 N ATOM 883 CA THR A 54 1.972 16.897 -27.095 1.00 0.00 C ATOM 884 C THR A 54 2.137 18.296 -26.510 1.00 0.00 C ATOM 885 O THR A 54 2.491 19.240 -27.216 1.00 0.00 O ATOM 886 CB THR A 54 2.801 16.756 -28.369 1.00 0.00 C ATOM 887 OG1 THR A 54 1.989 16.928 -29.517 1.00 0.00 O ATOM 888 CG2 THR A 54 3.484 15.410 -28.487 1.00 0.00 C ATOM 0 H THR A 54 0.202 17.106 -28.194 1.00 0.00 H new ATOM 0 HA THR A 54 2.327 16.174 -26.360 1.00 0.00 H new ATOM 0 HB THR A 54 3.565 17.531 -28.307 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.539 16.836 -30.323 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.057 15.373 -29.413 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.154 15.267 -27.640 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.733 14.620 -28.493 1.00 0.00 H new ATOM 896 N LEU A 55 1.875 18.418 -25.215 1.00 0.00 N ATOM 897 CA LEU A 55 1.986 19.696 -24.524 1.00 0.00 C ATOM 898 C LEU A 55 3.438 20.005 -24.179 1.00 0.00 C ATOM 899 O LEU A 55 3.956 19.549 -23.160 1.00 0.00 O ATOM 900 CB LEU A 55 1.137 19.674 -23.251 1.00 0.00 C ATOM 901 CG LEU A 55 -0.363 19.954 -23.437 1.00 0.00 C ATOM 902 CD1 LEU A 55 -0.658 21.430 -23.215 1.00 0.00 C ATOM 903 CD2 LEU A 55 -0.848 19.514 -24.814 1.00 0.00 C ATOM 0 H LEU A 55 1.583 17.643 -24.620 1.00 0.00 H new ATOM 0 HA LEU A 55 1.620 20.479 -25.188 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.248 18.697 -22.780 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.540 20.410 -22.556 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.905 19.370 -22.693 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.724 21.612 -23.350 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.367 21.711 -22.203 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.094 22.026 -23.933 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.913 19.727 -24.910 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.298 20.056 -25.584 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.680 18.444 -24.934 1.00 0.00 H new ATOM 915 N GLN A 56 4.089 20.779 -25.039 1.00 0.00 N ATOM 916 CA GLN A 56 5.484 21.151 -24.834 1.00 0.00 C ATOM 917 C GLN A 56 5.598 22.371 -23.926 1.00 0.00 C ATOM 918 O GLN A 56 5.095 23.447 -24.248 1.00 0.00 O ATOM 919 CB GLN A 56 6.155 21.436 -26.177 1.00 0.00 C ATOM 920 CG GLN A 56 7.617 21.832 -26.056 1.00 0.00 C ATOM 921 CD GLN A 56 8.559 20.695 -26.394 1.00 0.00 C ATOM 922 OE1 GLN A 56 8.199 19.772 -27.123 1.00 0.00 O ATOM 923 NE2 GLN A 56 9.773 20.754 -25.862 1.00 0.00 N ATOM 0 H GLN A 56 3.672 21.162 -25.887 1.00 0.00 H new ATOM 0 HA GLN A 56 5.990 20.316 -24.350 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.078 20.550 -26.807 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.612 22.234 -26.683 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.817 22.674 -26.719 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.814 22.172 -25.039 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.030 21.538 -25.263 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.450 20.015 -26.052 1.00 0.00 H new ATOM 932 N ASN A 57 6.267 22.196 -22.791 1.00 0.00 N ATOM 933 CA ASN A 57 6.453 23.283 -21.836 1.00 0.00 C ATOM 934 C ASN A 57 5.117 23.920 -21.464 1.00 0.00 C ATOM 935 O ASN A 57 5.051 25.111 -21.156 1.00 0.00 O ATOM 936 CB ASN A 57 7.394 24.342 -22.413 1.00 0.00 C ATOM 937 CG ASN A 57 8.849 23.917 -22.360 1.00 0.00 C ATOM 938 OD1 ASN A 57 9.369 23.576 -21.298 1.00 0.00 O ATOM 939 ND2 ASN A 57 9.514 23.936 -23.509 1.00 0.00 N ATOM 0 H ASN A 57 6.690 21.311 -22.510 1.00 0.00 H new ATOM 0 HA ASN A 57 6.897 22.865 -20.933 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.116 24.546 -23.447 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.270 25.273 -21.860 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.496 23.661 -23.535 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.043 24.226 -24.366 1.00 0.00 H new ATOM 946 N ALA A 58 4.055 23.121 -21.494 1.00 0.00 N ATOM 947 CA ALA A 58 2.721 23.608 -21.158 1.00 0.00 C ATOM 948 C ALA A 58 2.253 23.039 -19.821 1.00 0.00 C ATOM 949 O ALA A 58 2.792 22.043 -19.339 1.00 0.00 O ATOM 950 CB ALA A 58 1.736 23.253 -22.261 1.00 0.00 C ATOM 0 H ALA A 58 4.092 22.134 -21.747 1.00 0.00 H new ATOM 0 HA ALA A 58 2.767 24.693 -21.066 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.745 23.622 -21.997 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.057 23.711 -23.197 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.699 22.170 -22.381 1.00 0.00 H new ATOM 956 N HIS A 59 1.250 23.678 -19.227 1.00 0.00 N ATOM 957 CA HIS A 59 0.716 23.234 -17.942 1.00 0.00 C ATOM 958 C HIS A 59 -0.776 22.917 -18.036 1.00 0.00 C ATOM 959 O HIS A 59 -1.471 22.866 -17.023 1.00 0.00 O ATOM 960 CB HIS A 59 0.947 24.303 -16.873 1.00 0.00 C ATOM 961 CG HIS A 59 2.206 24.107 -16.087 1.00 0.00 C ATOM 962 ND1 HIS A 59 2.300 24.382 -14.739 1.00 0.00 N ATOM 963 CD2 HIS A 59 3.429 23.664 -16.464 1.00 0.00 C ATOM 964 CE1 HIS A 59 3.526 24.117 -14.323 1.00 0.00 C ATOM 965 NE2 HIS A 59 4.231 23.680 -15.349 1.00 0.00 N ATOM 0 H HIS A 59 0.791 24.503 -19.613 1.00 0.00 H new ATOM 0 HA HIS A 59 1.243 22.321 -17.664 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.977 25.282 -17.351 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.099 24.308 -16.188 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.720 23.355 -17.457 1.00 0.00 H new ATOM 0 HE1 HIS A 59 3.890 24.238 -13.313 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.211 23.400 -15.319 1.00 0.00 H new ATOM 974 N SER A 60 -1.263 22.701 -19.255 1.00 0.00 N ATOM 975 CA SER A 60 -2.673 22.388 -19.472 1.00 0.00 C ATOM 976 C SER A 60 -3.009 22.417 -20.957 1.00 0.00 C ATOM 977 O SER A 60 -2.269 22.986 -21.759 1.00 0.00 O ATOM 978 CB SER A 60 -3.568 23.375 -18.719 1.00 0.00 C ATOM 979 OG SER A 60 -3.108 24.705 -18.875 1.00 0.00 O ATOM 0 H SER A 60 -0.703 22.737 -20.107 1.00 0.00 H new ATOM 0 HA SER A 60 -2.856 21.384 -19.089 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.591 23.296 -19.087 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.589 23.116 -17.660 1.00 0.00 H new ATOM 0 HG SER A 60 -3.698 25.315 -18.385 1.00 0.00 H new ATOM 985 N MET A 61 -4.131 21.802 -21.320 1.00 0.00 N ATOM 986 CA MET A 61 -4.555 21.760 -22.709 1.00 0.00 C ATOM 987 C MET A 61 -6.046 22.049 -22.826 1.00 0.00 C ATOM 988 O MET A 61 -6.708 22.361 -21.836 1.00 0.00 O ATOM 989 CB MET A 61 -4.242 20.392 -23.313 1.00 0.00 C ATOM 990 CG MET A 61 -5.126 19.278 -22.777 1.00 0.00 C ATOM 991 SD MET A 61 -4.830 17.700 -23.595 1.00 0.00 S ATOM 992 CE MET A 61 -6.274 17.591 -24.648 1.00 0.00 C ATOM 0 H MET A 61 -4.759 21.328 -20.671 1.00 0.00 H new ATOM 0 HA MET A 61 -4.008 22.527 -23.258 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.356 20.447 -24.396 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.199 20.145 -23.114 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.953 19.166 -21.707 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.172 19.557 -22.903 1.00 0.00 H new ATOM 0 HE1 MET A 61 -5.976 17.255 -25.641 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.982 16.880 -24.222 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.744 18.571 -24.723 1.00 0.00 H new ATOM 1002 N ALA A 62 -6.568 21.932 -24.039 1.00 0.00 N ATOM 1003 CA ALA A 62 -7.980 22.172 -24.285 1.00 0.00 C ATOM 1004 C ALA A 62 -8.597 20.999 -25.033 1.00 0.00 C ATOM 1005 O ALA A 62 -8.736 21.038 -26.255 1.00 0.00 O ATOM 1006 CB ALA A 62 -8.173 23.462 -25.067 1.00 0.00 C ATOM 0 H ALA A 62 -6.033 21.672 -24.868 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.485 22.273 -23.324 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.236 23.626 -25.242 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.766 24.297 -24.497 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.655 23.389 -26.023 1.00 0.00 H new ATOM 1012 N LEU A 63 -8.954 19.952 -24.286 1.00 0.00 N ATOM 1013 CA LEU A 63 -9.555 18.744 -24.867 1.00 0.00 C ATOM 1014 C LEU A 63 -10.500 19.084 -26.026 1.00 0.00 C ATOM 1015 O LEU A 63 -11.635 19.506 -25.807 1.00 0.00 O ATOM 1016 CB LEU A 63 -10.314 17.965 -23.793 1.00 0.00 C ATOM 1017 CG LEU A 63 -9.450 17.419 -22.656 1.00 0.00 C ATOM 1018 CD1 LEU A 63 -10.225 17.423 -21.347 1.00 0.00 C ATOM 1019 CD2 LEU A 63 -8.961 16.015 -22.985 1.00 0.00 C ATOM 0 H LEU A 63 -8.838 19.914 -23.273 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.746 18.129 -25.261 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.079 18.614 -23.368 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.831 17.131 -24.268 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.581 18.067 -22.542 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.594 17.031 -20.549 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.525 18.443 -21.105 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.112 16.798 -21.448 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.348 15.642 -22.165 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.817 15.355 -23.127 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.368 16.041 -23.899 1.00 0.00 H new ATOM 1031 N PRO A 64 -10.030 18.918 -27.276 1.00 0.00 N ATOM 1032 CA PRO A 64 -10.830 19.226 -28.461 1.00 0.00 C ATOM 1033 C PRO A 64 -11.881 18.164 -28.784 1.00 0.00 C ATOM 1034 O PRO A 64 -13.068 18.360 -28.523 1.00 0.00 O ATOM 1035 CB PRO A 64 -9.793 19.317 -29.582 1.00 0.00 C ATOM 1036 CG PRO A 64 -8.625 18.506 -29.126 1.00 0.00 C ATOM 1037 CD PRO A 64 -8.680 18.437 -27.622 1.00 0.00 C ATOM 0 HA PRO A 64 -11.409 20.138 -28.317 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.195 18.930 -30.518 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.503 20.352 -29.763 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.661 17.506 -29.557 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -7.691 18.961 -29.455 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.518 17.420 -27.266 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.909 19.060 -27.168 1.00 0.00 H new ATOM 1045 N ALA A 65 -11.449 17.051 -29.371 1.00 0.00 N ATOM 1046 CA ALA A 65 -12.367 15.983 -29.748 1.00 0.00 C ATOM 1047 C ALA A 65 -12.602 14.995 -28.611 1.00 0.00 C ATOM 1048 O ALA A 65 -11.736 14.179 -28.294 1.00 0.00 O ATOM 1049 CB ALA A 65 -11.842 15.255 -30.976 1.00 0.00 C ATOM 0 H ALA A 65 -10.471 16.866 -29.595 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.327 16.444 -29.979 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.534 14.459 -31.251 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.750 15.958 -31.804 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.865 14.826 -30.755 1.00 0.00 H new ATOM 1055 N LEU A 66 -13.791 15.055 -28.020 1.00 0.00 N ATOM 1056 CA LEU A 66 -14.156 14.149 -26.940 1.00 0.00 C ATOM 1057 C LEU A 66 -15.511 13.503 -27.230 1.00 0.00 C ATOM 1058 O LEU A 66 -15.964 13.489 -28.373 1.00 0.00 O ATOM 1059 CB LEU A 66 -14.202 14.880 -25.595 1.00 0.00 C ATOM 1060 CG LEU A 66 -13.009 15.789 -25.297 1.00 0.00 C ATOM 1061 CD1 LEU A 66 -12.993 16.172 -23.823 1.00 0.00 C ATOM 1062 CD2 LEU A 66 -11.704 15.109 -25.685 1.00 0.00 C ATOM 0 H LEU A 66 -14.519 15.724 -28.272 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.393 13.373 -26.879 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.111 15.480 -25.559 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.278 14.138 -24.801 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.110 16.697 -25.892 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.139 16.819 -23.624 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.914 16.700 -23.574 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.915 15.271 -23.214 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.868 15.773 -25.465 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.593 14.185 -25.118 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.715 14.881 -26.751 1.00 0.00 H new ATOM 1074 N GLU A 67 -16.154 12.976 -26.193 1.00 0.00 N ATOM 1075 CA GLU A 67 -17.458 12.338 -26.352 1.00 0.00 C ATOM 1076 C GLU A 67 -18.373 12.665 -25.172 1.00 0.00 C ATOM 1077 O GLU A 67 -17.948 12.618 -24.018 1.00 0.00 O ATOM 1078 CB GLU A 67 -17.298 10.823 -26.481 1.00 0.00 C ATOM 1079 CG GLU A 67 -17.024 10.358 -27.902 1.00 0.00 C ATOM 1080 CD GLU A 67 -15.709 9.613 -28.027 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -15.616 8.481 -27.508 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -14.773 10.162 -28.645 1.00 0.00 O ATOM 0 H GLU A 67 -15.796 12.977 -25.238 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.914 12.727 -27.262 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.481 10.496 -25.837 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.204 10.338 -26.117 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.837 9.711 -28.232 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.013 11.221 -28.567 1.00 0.00 H new ATOM 1089 N PRO A 68 -19.644 13.005 -25.448 1.00 0.00 N ATOM 1090 CA PRO A 68 -20.614 13.344 -24.407 1.00 0.00 C ATOM 1091 C PRO A 68 -21.269 12.112 -23.788 1.00 0.00 C ATOM 1092 O PRO A 68 -21.480 11.103 -24.461 1.00 0.00 O ATOM 1093 CB PRO A 68 -21.646 14.168 -25.165 1.00 0.00 C ATOM 1094 CG PRO A 68 -21.634 13.607 -26.546 1.00 0.00 C ATOM 1095 CD PRO A 68 -20.236 13.096 -26.796 1.00 0.00 C ATOM 0 HA PRO A 68 -20.151 13.863 -23.568 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -22.633 14.082 -24.711 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -21.386 15.227 -25.165 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -22.363 12.802 -26.643 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -21.903 14.370 -27.276 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -20.248 12.126 -27.293 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -19.671 13.775 -27.435 1.00 0.00 H new ATOM 1103 N SER A 69 -21.594 12.206 -22.502 1.00 0.00 N ATOM 1104 CA SER A 69 -22.236 11.106 -21.790 1.00 0.00 C ATOM 1105 C SER A 69 -21.306 9.901 -21.677 1.00 0.00 C ATOM 1106 O SER A 69 -21.713 8.769 -21.941 1.00 0.00 O ATOM 1107 CB SER A 69 -23.528 10.700 -22.499 1.00 0.00 C ATOM 1108 OG SER A 69 -24.538 10.356 -21.567 1.00 0.00 O ATOM 0 H SER A 69 -21.423 13.034 -21.931 1.00 0.00 H new ATOM 0 HA SER A 69 -22.470 11.452 -20.783 1.00 0.00 H new ATOM 0 HB2 SER A 69 -23.874 11.520 -23.128 1.00 0.00 H new ATOM 0 HB3 SER A 69 -23.334 9.854 -23.158 1.00 0.00 H new ATOM 0 HG SER A 69 -25.354 10.102 -22.047 1.00 0.00 H new ATOM 1114 N THR A 70 -20.061 10.147 -21.282 1.00 0.00 N ATOM 1115 CA THR A 70 -19.084 9.073 -21.137 1.00 0.00 C ATOM 1116 C THR A 70 -17.927 9.499 -20.236 1.00 0.00 C ATOM 1117 O THR A 70 -17.645 10.689 -20.096 1.00 0.00 O ATOM 1118 CB THR A 70 -18.554 8.653 -22.509 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.594 8.113 -23.304 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.449 7.621 -22.435 1.00 0.00 C ATOM 0 H THR A 70 -19.706 11.076 -21.057 1.00 0.00 H new ATOM 0 HA THR A 70 -19.583 8.223 -20.671 1.00 0.00 H new ATOM 0 HB THR A 70 -18.149 9.563 -22.953 1.00 0.00 H new ATOM 0 HG1 THR A 70 -20.382 7.949 -22.745 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.119 7.368 -23.443 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.610 8.026 -21.870 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.821 6.724 -21.939 1.00 0.00 H new ATOM 1128 N ARG A 71 -17.256 8.520 -19.633 1.00 0.00 N ATOM 1129 CA ARG A 71 -16.126 8.799 -18.754 1.00 0.00 C ATOM 1130 C ARG A 71 -14.869 9.069 -19.575 1.00 0.00 C ATOM 1131 O ARG A 71 -14.834 8.788 -20.773 1.00 0.00 O ATOM 1132 CB ARG A 71 -15.887 7.626 -17.799 1.00 0.00 C ATOM 1133 CG ARG A 71 -15.917 8.025 -16.331 1.00 0.00 C ATOM 1134 CD ARG A 71 -15.484 6.880 -15.430 1.00 0.00 C ATOM 1135 NE ARG A 71 -16.288 5.679 -15.640 1.00 0.00 N ATOM 1136 CZ ARG A 71 -16.230 4.608 -14.854 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -15.423 4.599 -13.802 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -16.982 3.548 -15.116 1.00 0.00 N ATOM 0 H ARG A 71 -17.475 7.529 -19.737 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.360 9.686 -18.166 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.645 6.863 -17.976 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.921 7.174 -18.025 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.261 8.881 -16.173 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -16.924 8.341 -16.060 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -14.435 6.650 -15.616 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.562 7.190 -14.388 1.00 0.00 H new ATOM 0 HE ARG A 71 -16.929 5.661 -16.433 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -14.846 5.414 -13.595 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -15.379 3.777 -13.200 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -17.607 3.553 -15.922 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -16.936 2.728 -14.511 1.00 0.00 H new ATOM 1152 N TYR A 72 -13.843 9.622 -18.935 1.00 0.00 N ATOM 1153 CA TYR A 72 -12.602 9.928 -19.634 1.00 0.00 C ATOM 1154 C TYR A 72 -11.377 9.691 -18.758 1.00 0.00 C ATOM 1155 O TYR A 72 -11.049 10.502 -17.892 1.00 0.00 O ATOM 1156 CB TYR A 72 -12.618 11.371 -20.136 1.00 0.00 C ATOM 1157 CG TYR A 72 -12.960 11.480 -21.603 1.00 0.00 C ATOM 1158 CD1 TYR A 72 -14.260 11.278 -22.044 1.00 0.00 C ATOM 1159 CD2 TYR A 72 -11.982 11.771 -22.546 1.00 0.00 C ATOM 1160 CE1 TYR A 72 -14.579 11.363 -23.384 1.00 0.00 C ATOM 1161 CE2 TYR A 72 -12.292 11.855 -23.889 1.00 0.00 C ATOM 1162 CZ TYR A 72 -13.592 11.649 -24.302 1.00 0.00 C ATOM 1163 OH TYR A 72 -13.907 11.724 -25.638 1.00 0.00 O ATOM 0 H TYR A 72 -13.846 9.865 -17.944 1.00 0.00 H new ATOM 0 HA TYR A 72 -12.533 9.250 -20.484 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -13.342 11.944 -19.556 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.641 11.822 -19.962 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -15.035 11.051 -21.327 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -10.964 11.934 -22.224 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -15.596 11.206 -23.711 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -11.522 12.081 -24.611 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.154 11.394 -26.171 1.00 0.00 H new ATOM 1173 N TRP A 73 -10.698 8.578 -19.013 1.00 0.00 N ATOM 1174 CA TRP A 73 -9.494 8.214 -18.279 1.00 0.00 C ATOM 1175 C TRP A 73 -8.258 8.726 -19.007 1.00 0.00 C ATOM 1176 O TRP A 73 -7.861 8.171 -20.030 1.00 0.00 O ATOM 1177 CB TRP A 73 -9.410 6.697 -18.139 1.00 0.00 C ATOM 1178 CG TRP A 73 -10.568 6.108 -17.395 1.00 0.00 C ATOM 1179 CD1 TRP A 73 -11.826 5.885 -17.881 1.00 0.00 C ATOM 1180 CD2 TRP A 73 -10.576 5.672 -16.033 1.00 0.00 C ATOM 1181 NE1 TRP A 73 -12.614 5.331 -16.901 1.00 0.00 N ATOM 1182 CE2 TRP A 73 -11.870 5.191 -15.758 1.00 0.00 C ATOM 1183 CE3 TRP A 73 -9.614 5.640 -15.020 1.00 0.00 C ATOM 1184 CZ2 TRP A 73 -12.223 4.685 -14.510 1.00 0.00 C ATOM 1185 CZ3 TRP A 73 -9.966 5.138 -13.782 1.00 0.00 C ATOM 1186 CH2 TRP A 73 -11.261 4.665 -13.537 1.00 0.00 C ATOM 0 H TRP A 73 -10.966 7.906 -19.732 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.538 8.668 -17.289 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.359 6.249 -19.132 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.485 6.437 -17.624 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -12.152 6.111 -18.886 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.593 5.067 -17.007 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.613 6.001 -15.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.221 4.321 -14.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.231 5.110 -12.991 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.506 4.276 -12.560 1.00 0.00 H new ATOM 1197 N ALA A 74 -7.656 9.791 -18.489 1.00 0.00 N ATOM 1198 CA ALA A 74 -6.476 10.364 -19.123 1.00 0.00 C ATOM 1199 C ALA A 74 -5.247 10.301 -18.225 1.00 0.00 C ATOM 1200 O ALA A 74 -5.339 9.989 -17.037 1.00 0.00 O ATOM 1201 CB ALA A 74 -6.749 11.802 -19.538 1.00 0.00 C ATOM 0 H ALA A 74 -7.962 10.270 -17.642 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.261 9.764 -20.007 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.860 12.219 -20.011 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.580 11.826 -20.243 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.003 12.393 -18.658 1.00 0.00 H new ATOM 1207 N ARG A 75 -4.095 10.611 -18.812 1.00 0.00 N ATOM 1208 CA ARG A 75 -2.829 10.608 -18.094 1.00 0.00 C ATOM 1209 C ARG A 75 -1.872 11.609 -18.731 1.00 0.00 C ATOM 1210 O ARG A 75 -2.227 12.277 -19.705 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.215 9.206 -18.098 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.441 8.445 -19.395 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.880 7.033 -19.318 1.00 0.00 C ATOM 1214 NE ARG A 75 -1.973 6.333 -20.596 1.00 0.00 N ATOM 1215 CZ ARG A 75 -1.210 5.296 -20.927 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -0.304 4.835 -20.076 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -1.352 4.717 -22.112 1.00 0.00 N ATOM 0 H ARG A 75 -4.015 10.870 -19.795 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.009 10.899 -17.059 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.143 9.288 -17.917 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.635 8.632 -17.272 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.508 8.402 -19.612 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.970 8.980 -20.219 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.837 7.075 -19.003 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.420 6.470 -18.557 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.663 6.658 -21.273 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.190 5.276 -19.163 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.279 4.039 -20.334 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.047 5.067 -22.771 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.766 3.921 -22.364 1.00 0.00 H new ATOM 1231 N VAL A 76 -0.667 11.728 -18.184 1.00 0.00 N ATOM 1232 CA VAL A 76 0.305 12.670 -18.721 1.00 0.00 C ATOM 1233 C VAL A 76 1.731 12.324 -18.297 1.00 0.00 C ATOM 1234 O VAL A 76 2.014 12.154 -17.111 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.040 14.112 -18.286 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.295 14.343 -16.817 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.664 15.125 -19.171 1.00 0.00 C ATOM 0 H VAL A 76 -0.344 11.191 -17.379 1.00 0.00 H new ATOM 0 HA VAL A 76 0.255 12.600 -19.808 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.115 14.248 -18.404 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.041 15.367 -16.542 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.276 13.649 -16.200 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.361 14.179 -16.657 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.406 16.133 -18.846 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.742 14.985 -19.098 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.349 14.985 -20.205 1.00 0.00 H new ATOM 1247 N ARG A 77 2.628 12.235 -19.275 1.00 0.00 N ATOM 1248 CA ARG A 77 4.028 11.925 -18.999 1.00 0.00 C ATOM 1249 C ARG A 77 4.857 13.204 -18.961 1.00 0.00 C ATOM 1250 O ARG A 77 4.824 14.002 -19.898 1.00 0.00 O ATOM 1251 CB ARG A 77 4.589 10.973 -20.059 1.00 0.00 C ATOM 1252 CG ARG A 77 3.709 9.758 -20.308 1.00 0.00 C ATOM 1253 CD ARG A 77 4.399 8.745 -21.207 1.00 0.00 C ATOM 1254 NE ARG A 77 5.082 7.709 -20.439 1.00 0.00 N ATOM 1255 CZ ARG A 77 5.429 6.528 -20.943 1.00 0.00 C ATOM 1256 NH1 ARG A 77 5.155 6.238 -22.207 1.00 0.00 N ATOM 1257 NH2 ARG A 77 6.051 5.637 -20.182 1.00 0.00 N ATOM 0 H ARG A 77 2.412 12.373 -20.262 1.00 0.00 H new ATOM 0 HA ARG A 77 4.083 11.437 -18.026 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.716 11.518 -20.995 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.578 10.638 -19.748 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.456 9.289 -19.357 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.772 10.074 -20.766 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.663 8.283 -21.865 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.119 9.257 -21.845 1.00 0.00 H new ATOM 0 HE ARG A 77 5.305 7.901 -19.462 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.677 6.921 -22.795 1.00 0.00 H new ATOM 0 HH12 ARG A 77 5.422 5.332 -22.592 1.00 0.00 H new ATOM 0 HH21 ARG A 77 6.264 5.857 -19.209 1.00 0.00 H new ATOM 0 HH22 ARG A 77 6.316 4.732 -20.570 1.00 0.00 H new ATOM 1271 N VAL A 78 5.595 13.400 -17.871 1.00 0.00 N ATOM 1272 CA VAL A 78 6.421 14.589 -17.717 1.00 0.00 C ATOM 1273 C VAL A 78 7.904 14.260 -17.845 1.00 0.00 C ATOM 1274 O VAL A 78 8.515 13.722 -16.923 1.00 0.00 O ATOM 1275 CB VAL A 78 6.175 15.275 -16.359 1.00 0.00 C ATOM 1276 CG1 VAL A 78 6.565 14.355 -15.209 1.00 0.00 C ATOM 1277 CG2 VAL A 78 6.937 16.588 -16.284 1.00 0.00 C ATOM 0 H VAL A 78 5.636 12.751 -17.085 1.00 0.00 H new ATOM 0 HA VAL A 78 6.136 15.270 -18.519 1.00 0.00 H new ATOM 0 HB VAL A 78 5.110 15.490 -16.270 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.383 14.861 -14.261 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.969 13.443 -15.254 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.622 14.102 -15.288 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.753 17.061 -15.319 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.004 16.396 -16.397 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.601 17.250 -17.082 1.00 0.00 H new ATOM 1287 N ARG A 79 8.484 14.597 -18.991 1.00 0.00 N ATOM 1288 CA ARG A 79 9.899 14.344 -19.227 1.00 0.00 C ATOM 1289 C ARG A 79 10.733 15.532 -18.762 1.00 0.00 C ATOM 1290 O ARG A 79 10.282 16.675 -18.818 1.00 0.00 O ATOM 1291 CB ARG A 79 10.157 14.065 -20.712 1.00 0.00 C ATOM 1292 CG ARG A 79 10.078 15.303 -21.596 1.00 0.00 C ATOM 1293 CD ARG A 79 10.698 15.055 -22.962 1.00 0.00 C ATOM 1294 NE ARG A 79 11.174 16.290 -23.582 1.00 0.00 N ATOM 1295 CZ ARG A 79 11.619 16.362 -24.834 1.00 0.00 C ATOM 1296 NH1 ARG A 79 11.645 15.275 -25.594 1.00 0.00 N ATOM 1297 NH2 ARG A 79 12.035 17.521 -25.329 1.00 0.00 N ATOM 0 H ARG A 79 7.998 15.044 -19.768 1.00 0.00 H new ATOM 0 HA ARG A 79 10.191 13.464 -18.654 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.144 13.615 -20.821 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.432 13.332 -21.065 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.036 15.599 -21.717 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.590 16.132 -21.108 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.529 14.357 -22.861 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.962 14.583 -23.613 1.00 0.00 H new ATOM 0 HE ARG A 79 11.165 17.144 -23.024 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.324 14.383 -25.219 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.986 15.332 -26.554 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.014 18.360 -24.749 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.376 17.573 -26.289 1.00 0.00 H new ATOM 1311 N THR A 80 11.955 15.258 -18.321 1.00 0.00 N ATOM 1312 CA THR A 80 12.853 16.307 -17.865 1.00 0.00 C ATOM 1313 C THR A 80 14.044 16.372 -18.778 1.00 0.00 C ATOM 1314 O THR A 80 15.117 15.849 -18.480 1.00 0.00 O ATOM 1315 CB THR A 80 13.298 16.065 -16.429 1.00 0.00 C ATOM 1316 OG1 THR A 80 14.511 16.745 -16.159 1.00 0.00 O ATOM 1317 CG2 THR A 80 13.502 14.603 -16.096 1.00 0.00 C ATOM 0 H THR A 80 12.345 14.317 -18.270 1.00 0.00 H new ATOM 0 HA THR A 80 12.322 17.258 -17.890 1.00 0.00 H new ATOM 0 HB THR A 80 12.485 16.445 -15.810 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.191 16.471 -16.809 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.818 14.507 -15.057 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.567 14.063 -16.242 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.268 14.185 -16.749 1.00 0.00 H new ATOM 1325 N SER A 81 13.827 17.004 -19.911 1.00 0.00 N ATOM 1326 CA SER A 81 14.858 17.136 -20.917 1.00 0.00 C ATOM 1327 C SER A 81 16.169 17.615 -20.301 1.00 0.00 C ATOM 1328 O SER A 81 17.066 16.819 -20.021 1.00 0.00 O ATOM 1329 CB SER A 81 14.413 18.104 -22.015 1.00 0.00 C ATOM 1330 OG SER A 81 15.485 18.412 -22.889 1.00 0.00 O ATOM 0 H SER A 81 12.938 17.438 -20.160 1.00 0.00 H new ATOM 0 HA SER A 81 15.024 16.152 -21.356 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.593 17.664 -22.582 1.00 0.00 H new ATOM 0 HB3 SER A 81 14.033 19.021 -21.564 1.00 0.00 H new ATOM 0 HG SER A 81 15.856 17.583 -23.257 1.00 0.00 H new ATOM 1336 N ARG A 82 16.264 18.923 -20.094 1.00 0.00 N ATOM 1337 CA ARG A 82 17.458 19.539 -19.520 1.00 0.00 C ATOM 1338 C ARG A 82 18.519 19.720 -20.597 1.00 0.00 C ATOM 1339 O ARG A 82 18.380 19.205 -21.705 1.00 0.00 O ATOM 1340 CB ARG A 82 18.013 18.695 -18.364 1.00 0.00 C ATOM 1341 CG ARG A 82 18.350 19.503 -17.119 1.00 0.00 C ATOM 1342 CD ARG A 82 19.665 19.050 -16.504 1.00 0.00 C ATOM 1343 NE ARG A 82 19.477 18.467 -15.179 1.00 0.00 N ATOM 1344 CZ ARG A 82 20.326 17.612 -14.617 1.00 0.00 C ATOM 1345 NH1 ARG A 82 21.426 17.241 -15.260 1.00 0.00 N ATOM 1346 NH2 ARG A 82 20.078 17.127 -13.408 1.00 0.00 N ATOM 0 H ARG A 82 15.521 19.585 -20.317 1.00 0.00 H new ATOM 0 HA ARG A 82 17.182 20.516 -19.122 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.282 17.930 -18.102 1.00 0.00 H new ATOM 0 HB3 ARG A 82 18.910 18.177 -18.703 1.00 0.00 H new ATOM 0 HG2 ARG A 82 18.411 20.561 -17.375 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.549 19.398 -16.387 1.00 0.00 H new ATOM 0 HD2 ARG A 82 20.138 18.318 -17.158 1.00 0.00 H new ATOM 0 HD3 ARG A 82 20.344 19.900 -16.433 1.00 0.00 H new ATOM 0 HE ARG A 82 18.644 18.731 -14.653 1.00 0.00 H new ATOM 0 HH11 ARG A 82 21.623 17.612 -16.189 1.00 0.00 H new ATOM 0 HH12 ARG A 82 22.074 16.585 -14.825 1.00 0.00 H new ATOM 0 HH21 ARG A 82 19.235 17.410 -12.908 1.00 0.00 H new ATOM 0 HH22 ARG A 82 20.730 16.471 -12.978 1.00 0.00 H new ATOM 1360 N THR A 83 19.574 20.456 -20.278 1.00 0.00 N ATOM 1361 CA THR A 83 20.642 20.691 -21.240 1.00 0.00 C ATOM 1362 C THR A 83 21.502 19.443 -21.396 1.00 0.00 C ATOM 1363 O THR A 83 22.029 19.169 -22.474 1.00 0.00 O ATOM 1364 CB THR A 83 21.489 21.887 -20.811 1.00 0.00 C ATOM 1365 OG1 THR A 83 22.317 21.551 -19.713 1.00 0.00 O ATOM 1366 CG2 THR A 83 20.653 23.084 -20.411 1.00 0.00 C ATOM 0 H THR A 83 19.713 20.897 -19.369 1.00 0.00 H new ATOM 0 HA THR A 83 20.197 20.919 -22.208 1.00 0.00 H new ATOM 0 HB THR A 83 22.088 22.151 -21.682 1.00 0.00 H new ATOM 0 HG1 THR A 83 22.852 22.331 -19.456 1.00 0.00 H new ATOM 0 HG21 THR A 83 21.309 23.903 -20.116 1.00 0.00 H new ATOM 0 HG22 THR A 83 20.038 23.397 -21.255 1.00 0.00 H new ATOM 0 HG23 THR A 83 20.009 22.815 -19.574 1.00 0.00 H new ATOM 1374 N GLY A 84 21.607 18.672 -20.319 1.00 0.00 N ATOM 1375 CA GLY A 84 22.365 17.436 -20.360 1.00 0.00 C ATOM 1376 C GLY A 84 21.441 16.254 -20.548 1.00 0.00 C ATOM 1377 O GLY A 84 21.676 15.164 -20.027 1.00 0.00 O ATOM 0 H GLY A 84 21.180 18.882 -19.417 1.00 0.00 H new ATOM 0 HA2 GLY A 84 23.088 17.473 -21.175 1.00 0.00 H new ATOM 0 HA3 GLY A 84 22.931 17.319 -19.436 1.00 0.00 H new ATOM 1381 N TYR A 85 20.372 16.501 -21.293 1.00 0.00 N ATOM 1382 CA TYR A 85 19.359 15.501 -21.573 1.00 0.00 C ATOM 1383 C TYR A 85 19.937 14.304 -22.324 1.00 0.00 C ATOM 1384 O TYR A 85 20.849 14.448 -23.138 1.00 0.00 O ATOM 1385 CB TYR A 85 18.239 16.152 -22.387 1.00 0.00 C ATOM 1386 CG TYR A 85 16.976 15.335 -22.481 1.00 0.00 C ATOM 1387 CD1 TYR A 85 16.647 14.405 -21.504 1.00 0.00 C ATOM 1388 CD2 TYR A 85 16.107 15.504 -23.548 1.00 0.00 C ATOM 1389 CE1 TYR A 85 15.485 13.663 -21.590 1.00 0.00 C ATOM 1390 CE2 TYR A 85 14.942 14.766 -23.643 1.00 0.00 C ATOM 1391 CZ TYR A 85 14.636 13.847 -22.660 1.00 0.00 C ATOM 1392 OH TYR A 85 13.476 13.111 -22.749 1.00 0.00 O ATOM 0 H TYR A 85 20.185 17.408 -21.721 1.00 0.00 H new ATOM 0 HA TYR A 85 18.967 15.125 -20.628 1.00 0.00 H new ATOM 0 HB2 TYR A 85 17.999 17.118 -21.943 1.00 0.00 H new ATOM 0 HB3 TYR A 85 18.606 16.347 -23.395 1.00 0.00 H new ATOM 0 HD1 TYR A 85 17.310 14.259 -20.664 1.00 0.00 H new ATOM 0 HD2 TYR A 85 16.344 16.224 -24.317 1.00 0.00 H new ATOM 0 HE1 TYR A 85 15.243 12.942 -20.823 1.00 0.00 H new ATOM 0 HE2 TYR A 85 14.276 14.908 -24.481 1.00 0.00 H new ATOM 0 HH TYR A 85 13.296 12.679 -21.888 1.00 0.00 H new ATOM 1402 N ASN A 86 19.393 13.122 -22.045 1.00 0.00 N ATOM 1403 CA ASN A 86 19.847 11.895 -22.697 1.00 0.00 C ATOM 1404 C ASN A 86 18.741 11.271 -23.550 1.00 0.00 C ATOM 1405 O ASN A 86 19.011 10.430 -24.408 1.00 0.00 O ATOM 1406 CB ASN A 86 20.372 10.877 -21.675 1.00 0.00 C ATOM 1407 CG ASN A 86 19.728 11.031 -20.321 1.00 0.00 C ATOM 1408 OD1 ASN A 86 18.412 11.124 -20.321 1.00 0.00 O flip ATOM 1409 ND2 ASN A 86 20.403 11.067 -19.292 1.00 0.00 N flip ATOM 0 H ASN A 86 18.638 12.987 -21.373 1.00 0.00 H new ATOM 0 HA ASN A 86 20.670 12.171 -23.356 1.00 0.00 H new ATOM 0 HB2 ASN A 86 20.191 9.868 -22.047 1.00 0.00 H new ATOM 0 HB3 ASN A 86 21.451 10.991 -21.575 1.00 0.00 H new ATOM 0 HD21 ASN A 86 21.419 10.991 -19.345 1.00 0.00 H new ATOM 0 HD22 ASN A 86 19.946 11.173 -18.386 1.00 0.00 H new ATOM 1416 N GLY A 87 17.498 11.695 -23.322 1.00 0.00 N ATOM 1417 CA GLY A 87 16.382 11.172 -24.093 1.00 0.00 C ATOM 1418 C GLY A 87 15.523 10.191 -23.315 1.00 0.00 C ATOM 1419 O GLY A 87 15.042 9.205 -23.874 1.00 0.00 O ATOM 0 H GLY A 87 17.245 12.389 -22.619 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.760 12.002 -24.429 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.766 10.679 -24.987 1.00 0.00 H new ATOM 1423 N ILE A 88 15.327 10.455 -22.027 1.00 0.00 N ATOM 1424 CA ILE A 88 14.527 9.592 -21.185 1.00 0.00 C ATOM 1425 C ILE A 88 13.159 10.213 -20.889 1.00 0.00 C ATOM 1426 O ILE A 88 13.036 11.432 -20.764 1.00 0.00 O ATOM 1427 CB ILE A 88 15.254 9.294 -19.860 1.00 0.00 C ATOM 1428 CG1 ILE A 88 14.563 8.111 -19.174 1.00 0.00 C ATOM 1429 CG2 ILE A 88 15.298 10.544 -18.980 1.00 0.00 C ATOM 1430 CD1 ILE A 88 14.412 8.218 -17.668 1.00 0.00 C ATOM 0 H ILE A 88 15.717 11.266 -21.547 1.00 0.00 H new ATOM 0 HA ILE A 88 14.375 8.660 -21.729 1.00 0.00 H new ATOM 0 HB ILE A 88 16.291 9.017 -20.049 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.572 7.989 -19.612 1.00 0.00 H new ATOM 0 HG13 ILE A 88 15.125 7.205 -19.401 1.00 0.00 H new ATOM 0 HG21 ILE A 88 15.815 10.315 -18.048 1.00 0.00 H new ATOM 0 HG22 ILE A 88 15.829 11.339 -19.504 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.281 10.870 -18.760 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.911 7.328 -17.288 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.397 8.303 -17.209 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.820 9.100 -17.423 1.00 0.00 H new ATOM 1442 N TRP A 89 12.136 9.368 -20.780 1.00 0.00 N ATOM 1443 CA TRP A 89 10.782 9.834 -20.501 1.00 0.00 C ATOM 1444 C TRP A 89 10.311 9.373 -19.127 1.00 0.00 C ATOM 1445 O TRP A 89 10.864 8.436 -18.551 1.00 0.00 O ATOM 1446 CB TRP A 89 9.824 9.318 -21.569 1.00 0.00 C ATOM 1447 CG TRP A 89 9.611 10.285 -22.692 1.00 0.00 C ATOM 1448 CD1 TRP A 89 10.370 10.406 -23.819 1.00 0.00 C ATOM 1449 CD2 TRP A 89 8.577 11.269 -22.795 1.00 0.00 C ATOM 1450 NE1 TRP A 89 9.870 11.404 -24.620 1.00 0.00 N ATOM 1451 CE2 TRP A 89 8.770 11.950 -24.012 1.00 0.00 C ATOM 1452 CE3 TRP A 89 7.505 11.642 -21.978 1.00 0.00 C ATOM 1453 CZ2 TRP A 89 7.930 12.980 -24.432 1.00 0.00 C ATOM 1454 CZ3 TRP A 89 6.674 12.664 -22.394 1.00 0.00 C ATOM 1455 CH2 TRP A 89 6.891 13.323 -23.611 1.00 0.00 C ATOM 0 H TRP A 89 12.220 8.357 -20.881 1.00 0.00 H new ATOM 0 HA TRP A 89 10.793 10.924 -20.512 1.00 0.00 H new ATOM 0 HB2 TRP A 89 10.211 8.383 -21.973 1.00 0.00 H new ATOM 0 HB3 TRP A 89 8.863 9.092 -21.107 1.00 0.00 H new ATOM 0 HD1 TRP A 89 11.237 9.805 -24.048 1.00 0.00 H new ATOM 0 HE1 TRP A 89 10.255 11.691 -25.520 1.00 0.00 H new ATOM 0 HE3 TRP A 89 7.330 11.140 -21.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 8.093 13.488 -25.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.843 12.960 -21.771 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.224 14.119 -23.907 1.00 0.00 H new ATOM 1466 N SER A 90 9.277 10.030 -18.613 1.00 0.00 N ATOM 1467 CA SER A 90 8.718 9.684 -17.312 1.00 0.00 C ATOM 1468 C SER A 90 7.959 8.363 -17.395 1.00 0.00 C ATOM 1469 O SER A 90 7.984 7.689 -18.425 1.00 0.00 O ATOM 1470 CB SER A 90 7.783 10.793 -16.825 1.00 0.00 C ATOM 1471 OG SER A 90 6.962 11.268 -17.877 1.00 0.00 O ATOM 0 H SER A 90 8.808 10.807 -19.079 1.00 0.00 H new ATOM 0 HA SER A 90 9.537 9.575 -16.602 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.159 10.417 -16.014 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.371 11.616 -16.419 1.00 0.00 H new ATOM 0 HG SER A 90 6.085 10.834 -17.829 1.00 0.00 H new ATOM 1477 N GLU A 91 7.283 7.997 -16.312 1.00 0.00 N ATOM 1478 CA GLU A 91 6.520 6.756 -16.278 1.00 0.00 C ATOM 1479 C GLU A 91 5.112 6.965 -16.829 1.00 0.00 C ATOM 1480 O GLU A 91 4.799 6.536 -17.939 1.00 0.00 O ATOM 1481 CB GLU A 91 6.450 6.214 -14.849 1.00 0.00 C ATOM 1482 CG GLU A 91 7.793 5.743 -14.312 1.00 0.00 C ATOM 1483 CD GLU A 91 8.352 4.570 -15.092 1.00 0.00 C ATOM 1484 OE1 GLU A 91 7.564 3.874 -15.767 1.00 0.00 O ATOM 1485 OE2 GLU A 91 9.580 4.346 -15.029 1.00 0.00 O ATOM 0 H GLU A 91 7.248 8.540 -15.449 1.00 0.00 H new ATOM 0 HA GLU A 91 7.030 6.028 -16.909 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.058 6.991 -14.193 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.744 5.384 -14.818 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.504 6.569 -14.345 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.683 5.459 -13.265 1.00 0.00 H new ATOM 1492 N TRP A 92 4.265 7.627 -16.044 1.00 0.00 N ATOM 1493 CA TRP A 92 2.883 7.893 -16.448 1.00 0.00 C ATOM 1494 C TRP A 92 2.068 8.396 -15.259 1.00 0.00 C ATOM 1495 O TRP A 92 1.865 7.672 -14.285 1.00 0.00 O ATOM 1496 CB TRP A 92 2.236 6.625 -17.013 1.00 0.00 C ATOM 1497 CG TRP A 92 2.160 6.595 -18.511 1.00 0.00 C ATOM 1498 CD1 TRP A 92 2.646 5.621 -19.335 1.00 0.00 C ATOM 1499 CD2 TRP A 92 1.555 7.576 -19.364 1.00 0.00 C ATOM 1500 NE1 TRP A 92 2.378 5.933 -20.645 1.00 0.00 N ATOM 1501 CE2 TRP A 92 1.710 7.128 -20.690 1.00 0.00 C ATOM 1502 CE3 TRP A 92 0.898 8.788 -19.136 1.00 0.00 C ATOM 1503 CZ2 TRP A 92 1.229 7.848 -21.781 1.00 0.00 C ATOM 1504 CZ3 TRP A 92 0.421 9.502 -20.220 1.00 0.00 C ATOM 1505 CH2 TRP A 92 0.587 9.029 -21.529 1.00 0.00 C ATOM 0 H TRP A 92 4.510 7.990 -15.123 1.00 0.00 H new ATOM 0 HA TRP A 92 2.897 8.660 -17.222 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.801 5.758 -16.671 1.00 0.00 H new ATOM 0 HB3 TRP A 92 1.229 6.531 -16.606 1.00 0.00 H new ATOM 0 HD1 TRP A 92 3.166 4.734 -19.004 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.635 5.367 -21.454 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.765 9.161 -18.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.358 7.486 -22.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.088 10.440 -20.055 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.200 9.608 -22.354 1.00 0.00 H new ATOM 1516 N SER A 93 1.603 9.638 -15.343 1.00 0.00 N ATOM 1517 CA SER A 93 0.812 10.227 -14.269 1.00 0.00 C ATOM 1518 C SER A 93 -0.373 9.337 -13.913 1.00 0.00 C ATOM 1519 O SER A 93 -0.942 8.669 -14.776 1.00 0.00 O ATOM 1520 CB SER A 93 0.316 11.618 -14.668 1.00 0.00 C ATOM 1521 OG SER A 93 -0.754 11.534 -15.592 1.00 0.00 O ATOM 0 H SER A 93 1.759 10.254 -16.141 1.00 0.00 H new ATOM 0 HA SER A 93 1.454 10.317 -13.393 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.009 12.160 -13.780 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.135 12.187 -15.107 1.00 0.00 H new ATOM 0 HG SER A 93 -1.450 12.178 -15.346 1.00 0.00 H new ATOM 1527 N GLU A 94 -0.741 9.335 -12.635 1.00 0.00 N ATOM 1528 CA GLU A 94 -1.861 8.529 -12.165 1.00 0.00 C ATOM 1529 C GLU A 94 -3.100 8.775 -13.020 1.00 0.00 C ATOM 1530 O GLU A 94 -3.611 9.892 -13.084 1.00 0.00 O ATOM 1531 CB GLU A 94 -2.164 8.847 -10.699 1.00 0.00 C ATOM 1532 CG GLU A 94 -2.499 7.619 -9.869 1.00 0.00 C ATOM 1533 CD GLU A 94 -1.328 7.147 -9.028 1.00 0.00 C ATOM 1534 OE1 GLU A 94 -0.630 8.005 -8.447 1.00 0.00 O ATOM 1535 OE2 GLU A 94 -1.109 5.920 -8.950 1.00 0.00 O ATOM 0 H GLU A 94 -0.280 9.882 -11.908 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.585 7.478 -12.250 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.303 9.349 -10.259 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.999 9.546 -10.652 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.343 7.845 -9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.815 6.813 -10.531 1.00 0.00 H new ATOM 1542 N ALA A 95 -3.573 7.723 -13.677 1.00 0.00 N ATOM 1543 CA ALA A 95 -4.750 7.820 -14.533 1.00 0.00 C ATOM 1544 C ALA A 95 -5.934 8.427 -13.785 1.00 0.00 C ATOM 1545 O ALA A 95 -6.297 7.971 -12.701 1.00 0.00 O ATOM 1546 CB ALA A 95 -5.119 6.447 -15.073 1.00 0.00 C ATOM 0 H ALA A 95 -3.159 6.792 -13.634 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.506 8.480 -15.366 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.999 6.531 -15.711 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.287 6.049 -15.654 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.336 5.776 -14.242 1.00 0.00 H new ATOM 1552 N ARG A 96 -6.536 9.456 -14.377 1.00 0.00 N ATOM 1553 CA ARG A 96 -7.687 10.122 -13.776 1.00 0.00 C ATOM 1554 C ARG A 96 -8.906 10.004 -14.686 1.00 0.00 C ATOM 1555 O ARG A 96 -8.800 10.164 -15.901 1.00 0.00 O ATOM 1556 CB ARG A 96 -7.373 11.597 -13.507 1.00 0.00 C ATOM 1557 CG ARG A 96 -6.181 11.809 -12.588 1.00 0.00 C ATOM 1558 CD ARG A 96 -6.544 11.536 -11.138 1.00 0.00 C ATOM 1559 NE ARG A 96 -5.782 12.370 -10.212 1.00 0.00 N ATOM 1560 CZ ARG A 96 -5.930 12.326 -8.892 1.00 0.00 C ATOM 1561 NH1 ARG A 96 -6.803 11.488 -8.351 1.00 0.00 N ATOM 1562 NH2 ARG A 96 -5.206 13.118 -8.114 1.00 0.00 N ATOM 0 H ARG A 96 -6.245 9.846 -15.273 1.00 0.00 H new ATOM 0 HA ARG A 96 -7.909 9.633 -12.827 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.183 12.098 -14.456 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.250 12.072 -13.066 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.365 11.152 -12.890 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.820 12.833 -12.688 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.609 11.714 -10.992 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.363 10.485 -10.911 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.099 13.021 -10.599 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.361 10.877 -8.948 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.917 11.454 -7.338 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.533 13.763 -8.528 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.322 13.082 -7.101 1.00 0.00 H new ATOM 1576 N SER A 97 -10.060 9.712 -14.094 1.00 0.00 N ATOM 1577 CA SER A 97 -11.292 9.560 -14.861 1.00 0.00 C ATOM 1578 C SER A 97 -12.293 10.667 -14.538 1.00 0.00 C ATOM 1579 O SER A 97 -12.498 11.012 -13.375 1.00 0.00 O ATOM 1580 CB SER A 97 -11.922 8.191 -14.581 1.00 0.00 C ATOM 1581 OG SER A 97 -12.867 8.267 -13.528 1.00 0.00 O ATOM 0 H SER A 97 -10.168 9.576 -13.089 1.00 0.00 H new ATOM 0 HA SER A 97 -11.037 9.634 -15.918 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.408 7.820 -15.483 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.142 7.475 -14.322 1.00 0.00 H new ATOM 0 HG SER A 97 -13.254 7.381 -13.372 1.00 0.00 H new ATOM 1587 N TRP A 98 -12.918 11.215 -15.580 1.00 0.00 N ATOM 1588 CA TRP A 98 -13.906 12.276 -15.409 1.00 0.00 C ATOM 1589 C TRP A 98 -15.104 12.055 -16.335 1.00 0.00 C ATOM 1590 O TRP A 98 -15.054 11.220 -17.237 1.00 0.00 O ATOM 1591 CB TRP A 98 -13.266 13.652 -15.654 1.00 0.00 C ATOM 1592 CG TRP A 98 -13.179 14.049 -17.100 1.00 0.00 C ATOM 1593 CD1 TRP A 98 -14.149 14.657 -17.843 1.00 0.00 C ATOM 1594 CD2 TRP A 98 -12.057 13.873 -17.973 1.00 0.00 C ATOM 1595 NE1 TRP A 98 -13.699 14.867 -19.124 1.00 0.00 N ATOM 1596 CE2 TRP A 98 -12.418 14.394 -19.226 1.00 0.00 C ATOM 1597 CE3 TRP A 98 -10.784 13.325 -17.818 1.00 0.00 C ATOM 1598 CZ2 TRP A 98 -11.549 14.381 -20.310 1.00 0.00 C ATOM 1599 CZ3 TRP A 98 -9.923 13.314 -18.896 1.00 0.00 C ATOM 1600 CH2 TRP A 98 -10.309 13.840 -20.130 1.00 0.00 C ATOM 0 H TRP A 98 -12.757 10.941 -16.549 1.00 0.00 H new ATOM 0 HA TRP A 98 -14.268 12.248 -14.381 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -13.840 14.407 -15.117 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -12.262 13.653 -15.229 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -15.127 14.933 -17.477 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -14.232 15.304 -19.876 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -10.476 12.915 -16.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -11.846 14.787 -21.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -8.935 12.892 -18.783 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -9.614 13.818 -20.957 1.00 0.00 H new ATOM 1611 N ASP A 99 -16.177 12.805 -16.103 1.00 0.00 N ATOM 1612 CA ASP A 99 -17.383 12.682 -16.916 1.00 0.00 C ATOM 1613 C ASP A 99 -17.563 13.896 -17.823 1.00 0.00 C ATOM 1614 O ASP A 99 -17.400 15.036 -17.391 1.00 0.00 O ATOM 1615 CB ASP A 99 -18.610 12.513 -16.017 1.00 0.00 C ATOM 1616 CG ASP A 99 -18.582 13.444 -14.821 1.00 0.00 C ATOM 1617 OD1 ASP A 99 -18.950 14.627 -14.980 1.00 0.00 O ATOM 1618 OD2 ASP A 99 -18.193 12.990 -13.724 1.00 0.00 O ATOM 0 H ASP A 99 -16.236 13.502 -15.361 1.00 0.00 H new ATOM 0 HA ASP A 99 -17.276 11.800 -17.547 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -19.512 12.701 -16.599 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -18.663 11.481 -15.670 1.00 0.00 H new ATOM 1623 N THR A 100 -17.903 13.639 -19.083 1.00 0.00 N ATOM 1624 CA THR A 100 -18.106 14.710 -20.055 1.00 0.00 C ATOM 1625 C THR A 100 -19.508 15.313 -19.943 1.00 0.00 C ATOM 1626 O THR A 100 -19.816 16.303 -20.607 1.00 0.00 O ATOM 1627 CB THR A 100 -17.878 14.185 -21.474 1.00 0.00 C ATOM 1628 OG1 THR A 100 -18.367 12.863 -21.607 1.00 0.00 O ATOM 1629 CG2 THR A 100 -16.422 14.180 -21.878 1.00 0.00 C ATOM 0 H THR A 100 -18.044 12.700 -19.455 1.00 0.00 H new ATOM 0 HA THR A 100 -17.383 15.496 -19.838 1.00 0.00 H new ATOM 0 HB THR A 100 -18.419 14.870 -22.127 1.00 0.00 H new ATOM 0 HG1 THR A 100 -18.687 12.723 -22.523 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.328 13.797 -22.894 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.029 15.196 -21.835 1.00 0.00 H new ATOM 0 HG23 THR A 100 -15.857 13.544 -21.196 1.00 0.00 H new ATOM 1637 N GLU A 101 -20.354 14.716 -19.107 1.00 0.00 N ATOM 1638 CA GLU A 101 -21.716 15.205 -18.920 1.00 0.00 C ATOM 1639 C GLU A 101 -22.464 15.270 -20.249 1.00 0.00 C ATOM 1640 O GLU A 101 -22.185 16.125 -21.088 1.00 0.00 O ATOM 1641 CB GLU A 101 -21.699 16.587 -18.265 1.00 0.00 C ATOM 1642 CG GLU A 101 -21.707 16.543 -16.745 1.00 0.00 C ATOM 1643 CD GLU A 101 -21.225 17.838 -16.121 1.00 0.00 C ATOM 1644 OE1 GLU A 101 -22.002 18.817 -16.109 1.00 0.00 O ATOM 1645 OE2 GLU A 101 -20.073 17.873 -15.642 1.00 0.00 O ATOM 0 H GLU A 101 -20.120 13.894 -18.550 1.00 0.00 H new ATOM 0 HA GLU A 101 -22.237 14.505 -18.266 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -20.813 17.127 -18.599 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -22.565 17.153 -18.608 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -22.718 16.331 -16.397 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -21.074 15.723 -16.406 1.00 0.00 H new ATOM 1652 N SER A 102 -23.417 14.361 -20.432 1.00 0.00 N ATOM 1653 CA SER A 102 -24.205 14.317 -21.659 1.00 0.00 C ATOM 1654 C SER A 102 -24.762 15.696 -22.000 1.00 0.00 C ATOM 1655 O SER A 102 -25.179 16.412 -21.066 1.00 0.00 O ATOM 1656 CB SER A 102 -25.350 13.311 -21.519 1.00 0.00 C ATOM 1657 OG SER A 102 -26.458 13.889 -20.852 1.00 0.00 O ATOM 1658 OXT SER A 102 -24.777 16.046 -23.198 1.00 0.00 O ATOM 0 H SER A 102 -23.662 13.646 -19.747 1.00 0.00 H new ATOM 0 HA SER A 102 -23.549 14.000 -22.470 1.00 0.00 H new ATOM 0 HB2 SER A 102 -25.656 12.964 -22.506 1.00 0.00 H new ATOM 0 HB3 SER A 102 -25.005 12.437 -20.967 1.00 0.00 H new ATOM 0 HG SER A 102 -27.176 13.227 -20.777 1.00 0.00 H new