USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 988 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 14 GLN : amide:sc= 1.1 K(o=0.98,f=-4.9!) USER MOD Set 1.2: A 133 ASN : amide:sc= -0.115 X(o=0.98,f=0.85) USER MOD Set 2.1: A 34 TYR OH : rot 157:sc= 1.32 USER MOD Set 2.2: A 36 HIS : no HD1:sc= -0.225 K(o=1.1,f=-13!) USER MOD Single : A 1 MET CE :methyl -112:sc= -0.795 (180deg=-1.77!) USER MOD Single : A 1 MET N :NH3+ -160:sc= 2.41 (180deg=1.04) USER MOD Single : A 2 LYS NZ :NH3+ 160:sc= -0.477 (180deg=-0.964) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -87:sc= 1.27 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 140:sc= -2.82! USER MOD Single : A 26 SER OG : rot 118:sc= 1.43 USER MOD Single : A 29 SER OG : rot 180:sc= -0.677 USER MOD Single : A 38 HIS : no HD1:sc=-0.00142 X(o=-0.0014,f=-0.0053) USER MOD Single : A 40 SER OG : rot 111:sc= 0.795 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 79:sc= 0.568 USER MOD Single : A 52 HIS : no HE2:sc= -1.8 K(o=-1.8,f=-5!) USER MOD Single : A 57 LYS NZ :NH3+ -171:sc= 0.762 (180deg=0.597) USER MOD Single : A 65 ASN : amide:sc= 0.00298 X(o=0.003,f=-0.0082) USER MOD Single : A 77 GLN : amide:sc= -0.8 X(o=-0.8,f=-0.31) USER MOD Single : A 81 LYS NZ :NH3+ -172:sc=-0.00746 (180deg=-0.107) USER MOD Single : A 85 MET CE :methyl -126:sc= -0.125 (180deg=-0.817) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.0228 F(o=-1.3!,f=-0.023) USER MOD Single : A 94 MET CE :methyl -155:sc= -0.163 (180deg=-1.11) USER MOD Single : A 100 THR OG1 : rot -25:sc= 0.525 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot -48:sc= 0.413 USER MOD Single : A 116 HIS : +bothHN:sc= -0.0997 K(o=-0.1,f=-8.4!) USER MOD Single : A 131 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0286) USER MOD Single : A 143 THR OG1 : rot -42:sc= 1.16 USER MOD Single : A 149 HIS : no HD1:sc= -0.133 K(o=-0.13,f=-0.75) USER MOD Single : A 151 HIS :FLIP no HE2:sc= 0.211 F(o=-1.1,f=0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.647 -18.301 7.604 1.00 0.00 N ATOM 2 CA MET A 1 12.129 -18.750 6.288 1.00 0.00 C ATOM 3 C MET A 1 11.839 -17.540 5.418 1.00 0.00 C ATOM 4 O MET A 1 11.295 -16.544 5.889 1.00 0.00 O ATOM 5 CB MET A 1 10.843 -19.568 6.452 1.00 0.00 C ATOM 6 CG MET A 1 9.654 -18.730 6.885 1.00 0.00 C ATOM 7 SD MET A 1 9.848 -18.090 8.561 1.00 0.00 S ATOM 8 CE MET A 1 8.679 -16.740 8.546 1.00 0.00 C ATOM 0 H1 MET A 1 13.154 -19.084 8.063 1.00 0.00 H new ATOM 0 H2 MET A 1 13.297 -17.501 7.467 1.00 0.00 H new ATOM 0 H3 MET A 1 11.853 -18.003 8.206 1.00 0.00 H new ATOM 0 HA MET A 1 12.886 -19.379 5.820 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.609 -20.059 5.507 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.012 -20.355 7.187 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.526 -17.898 6.192 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.747 -19.333 6.830 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.216 -15.793 8.603 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.098 -16.772 7.624 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.009 -16.830 9.401 1.00 0.00 H new ATOM 20 N LYS A 2 12.166 -17.635 4.147 1.00 0.00 N ATOM 21 CA LYS A 2 12.054 -16.493 3.262 1.00 0.00 C ATOM 22 C LYS A 2 11.170 -16.806 2.070 1.00 0.00 C ATOM 23 O LYS A 2 10.806 -17.953 1.826 1.00 0.00 O ATOM 24 CB LYS A 2 13.433 -16.042 2.781 1.00 0.00 C ATOM 25 CG LYS A 2 14.231 -17.134 2.090 1.00 0.00 C ATOM 26 CD LYS A 2 15.523 -16.594 1.508 1.00 0.00 C ATOM 27 CE LYS A 2 15.245 -15.612 0.388 1.00 0.00 C ATOM 28 NZ LYS A 2 16.493 -15.173 -0.290 1.00 0.00 N ATOM 0 H LYS A 2 12.510 -18.487 3.704 1.00 0.00 H new ATOM 0 HA LYS A 2 11.595 -15.683 3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.311 -15.204 2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 2 14.002 -15.674 3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.455 -17.928 2.802 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.631 -17.578 1.296 1.00 0.00 H new ATOM 0 HD2 LYS A 2 16.102 -16.104 2.291 1.00 0.00 H new ATOM 0 HD3 LYS A 2 16.129 -17.418 1.132 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.579 -16.073 -0.341 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.725 -14.742 0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.262 -14.791 -1.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 16.956 -14.436 0.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.135 -15.984 -0.395 1.00 0.00 H new ATOM 42 N VAL A 3 10.837 -15.762 1.340 1.00 0.00 N ATOM 43 CA VAL A 3 9.978 -15.858 0.176 1.00 0.00 C ATOM 44 C VAL A 3 10.738 -16.364 -1.050 1.00 0.00 C ATOM 45 O VAL A 3 11.802 -15.846 -1.398 1.00 0.00 O ATOM 46 CB VAL A 3 9.360 -14.482 -0.123 1.00 0.00 C ATOM 47 CG1 VAL A 3 10.401 -13.398 0.076 1.00 0.00 C ATOM 48 CG2 VAL A 3 8.803 -14.416 -1.535 1.00 0.00 C ATOM 0 H VAL A 3 11.157 -14.814 1.539 1.00 0.00 H new ATOM 0 HA VAL A 3 9.191 -16.579 0.398 1.00 0.00 H new ATOM 0 HB VAL A 3 8.532 -14.326 0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.958 -12.425 -0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 3 10.755 -13.418 1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 3 11.240 -13.571 -0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.374 -13.429 -1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 3 9.605 -14.597 -2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.030 -15.175 -1.657 1.00 0.00 H new ATOM 58 N ALA A 4 10.183 -17.378 -1.691 1.00 0.00 N ATOM 59 CA ALA A 4 10.719 -17.899 -2.938 1.00 0.00 C ATOM 60 C ALA A 4 9.583 -18.436 -3.791 1.00 0.00 C ATOM 61 O ALA A 4 8.411 -18.246 -3.457 1.00 0.00 O ATOM 62 CB ALA A 4 11.761 -18.978 -2.674 1.00 0.00 C ATOM 0 H ALA A 4 9.348 -17.864 -1.362 1.00 0.00 H new ATOM 0 HA ALA A 4 11.215 -17.092 -3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 4 12.146 -19.351 -3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 4 12.580 -18.558 -2.090 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.304 -19.798 -2.120 1.00 0.00 H new ATOM 68 N LYS A 5 9.916 -19.085 -4.890 1.00 0.00 N ATOM 69 CA LYS A 5 8.909 -19.666 -5.753 1.00 0.00 C ATOM 70 C LYS A 5 8.212 -20.827 -5.042 1.00 0.00 C ATOM 71 O LYS A 5 8.746 -21.369 -4.072 1.00 0.00 O ATOM 72 CB LYS A 5 9.551 -20.123 -7.060 1.00 0.00 C ATOM 73 CG LYS A 5 8.546 -20.591 -8.095 1.00 0.00 C ATOM 74 CD LYS A 5 9.210 -20.910 -9.423 1.00 0.00 C ATOM 75 CE LYS A 5 8.218 -21.497 -10.416 1.00 0.00 C ATOM 76 NZ LYS A 5 8.878 -21.915 -11.678 1.00 0.00 N ATOM 0 H LYS A 5 10.876 -19.223 -5.205 1.00 0.00 H new ATOM 0 HA LYS A 5 8.154 -18.915 -5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.134 -19.301 -7.476 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.248 -20.934 -6.849 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.029 -21.477 -7.725 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.790 -19.819 -8.243 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.649 -20.003 -9.839 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.026 -21.615 -9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.719 -22.355 -9.966 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.446 -20.759 -10.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.168 -22.309 -12.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.333 -21.091 -12.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.597 -22.638 -11.471 1.00 0.00 H new ATOM 90 N ASP A 6 7.027 -21.196 -5.547 1.00 0.00 N ATOM 91 CA ASP A 6 6.132 -22.199 -4.944 1.00 0.00 C ATOM 92 C ASP A 6 5.937 -22.063 -3.420 1.00 0.00 C ATOM 93 O ASP A 6 5.358 -22.943 -2.782 1.00 0.00 O ATOM 94 CB ASP A 6 6.517 -23.643 -5.347 1.00 0.00 C ATOM 95 CG ASP A 6 7.993 -23.994 -5.240 1.00 0.00 C ATOM 96 OD1 ASP A 6 8.753 -23.675 -6.187 1.00 0.00 O ATOM 97 OD2 ASP A 6 8.387 -24.644 -4.251 1.00 0.00 O ATOM 0 H ASP A 6 6.653 -20.797 -6.408 1.00 0.00 H new ATOM 0 HA ASP A 6 5.153 -21.979 -5.371 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.953 -24.336 -4.723 1.00 0.00 H new ATOM 0 HB3 ASP A 6 6.198 -23.809 -6.376 1.00 0.00 H new ATOM 102 N LEU A 7 6.411 -20.972 -2.838 1.00 0.00 N ATOM 103 CA LEU A 7 6.093 -20.657 -1.455 1.00 0.00 C ATOM 104 C LEU A 7 4.942 -19.662 -1.394 1.00 0.00 C ATOM 105 O LEU A 7 5.094 -18.498 -1.775 1.00 0.00 O ATOM 106 CB LEU A 7 7.316 -20.091 -0.723 1.00 0.00 C ATOM 107 CG LEU A 7 8.589 -20.941 -0.806 1.00 0.00 C ATOM 108 CD1 LEU A 7 9.646 -20.409 0.143 1.00 0.00 C ATOM 109 CD2 LEU A 7 8.292 -22.395 -0.493 1.00 0.00 C ATOM 0 H LEU A 7 7.015 -20.292 -3.300 1.00 0.00 H new ATOM 0 HA LEU A 7 5.795 -21.580 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.534 -19.102 -1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.058 -19.956 0.327 1.00 0.00 H new ATOM 0 HG LEU A 7 8.968 -20.879 -1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.543 -21.024 0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.889 -19.380 -0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.266 -20.439 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.212 -22.977 -0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.884 -22.474 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.567 -22.781 -1.210 1.00 0.00 H new ATOM 121 N VAL A 8 3.774 -20.142 -0.972 1.00 0.00 N ATOM 122 CA VAL A 8 2.618 -19.277 -0.757 1.00 0.00 C ATOM 123 C VAL A 8 2.966 -18.143 0.216 1.00 0.00 C ATOM 124 O VAL A 8 3.722 -18.329 1.173 1.00 0.00 O ATOM 125 CB VAL A 8 1.395 -20.083 -0.246 1.00 0.00 C ATOM 126 CG1 VAL A 8 1.664 -20.712 1.113 1.00 0.00 C ATOM 127 CG2 VAL A 8 0.150 -19.209 -0.197 1.00 0.00 C ATOM 0 H VAL A 8 3.604 -21.128 -0.772 1.00 0.00 H new ATOM 0 HA VAL A 8 2.347 -18.838 -1.717 1.00 0.00 H new ATOM 0 HB VAL A 8 1.220 -20.892 -0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.784 -21.268 1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.514 -21.390 1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.886 -19.929 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.693 -19.797 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.321 -18.369 0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.071 -18.834 -1.196 1.00 0.00 H new ATOM 137 N VAL A 9 2.399 -16.973 -0.034 1.00 0.00 N ATOM 138 CA VAL A 9 2.788 -15.769 0.662 1.00 0.00 C ATOM 139 C VAL A 9 1.614 -14.795 0.757 1.00 0.00 C ATOM 140 O VAL A 9 0.845 -14.638 -0.195 1.00 0.00 O ATOM 141 CB VAL A 9 3.975 -15.101 -0.076 1.00 0.00 C ATOM 142 CG1 VAL A 9 4.059 -13.630 0.246 1.00 0.00 C ATOM 143 CG2 VAL A 9 5.292 -15.784 0.264 1.00 0.00 C ATOM 0 H VAL A 9 1.660 -16.837 -0.723 1.00 0.00 H new ATOM 0 HA VAL A 9 3.094 -16.034 1.674 1.00 0.00 H new ATOM 0 HB VAL A 9 3.794 -15.213 -1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.901 -13.189 -0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.137 -13.137 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.199 -13.500 1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.105 -15.292 -0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.470 -15.718 1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.245 -16.832 -0.032 1.00 0.00 H new ATOM 153 N SER A 10 1.474 -14.155 1.910 1.00 0.00 N ATOM 154 CA SER A 10 0.485 -13.119 2.088 1.00 0.00 C ATOM 155 C SER A 10 1.193 -11.811 2.400 1.00 0.00 C ATOM 156 O SER A 10 2.252 -11.803 3.036 1.00 0.00 O ATOM 157 CB SER A 10 -0.481 -13.485 3.216 1.00 0.00 C ATOM 158 OG SER A 10 -1.133 -14.716 2.953 1.00 0.00 O ATOM 0 H SER A 10 2.041 -14.342 2.737 1.00 0.00 H new ATOM 0 HA SER A 10 -0.096 -13.011 1.172 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.064 -13.553 4.157 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.223 -12.695 3.334 1.00 0.00 H new ATOM 0 HG SER A 10 -1.933 -14.553 2.411 1.00 0.00 H new ATOM 164 N LEU A 11 0.605 -10.713 1.974 1.00 0.00 N ATOM 165 CA LEU A 11 1.223 -9.410 2.147 1.00 0.00 C ATOM 166 C LEU A 11 0.212 -8.312 1.901 1.00 0.00 C ATOM 167 O LEU A 11 -0.794 -8.520 1.244 1.00 0.00 O ATOM 168 CB LEU A 11 2.500 -9.253 1.273 1.00 0.00 C ATOM 169 CG LEU A 11 2.353 -9.111 -0.259 1.00 0.00 C ATOM 170 CD1 LEU A 11 1.315 -10.057 -0.829 1.00 0.00 C ATOM 171 CD2 LEU A 11 2.057 -7.672 -0.640 1.00 0.00 C ATOM 0 H LEU A 11 -0.301 -10.694 1.505 1.00 0.00 H new ATOM 0 HA LEU A 11 1.557 -9.324 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.038 -8.376 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.136 -10.118 1.463 1.00 0.00 H new ATOM 0 HG LEU A 11 3.308 -9.393 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.250 -9.918 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.602 -11.086 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.345 -9.848 -0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.958 -7.595 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.128 -7.354 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.873 -7.032 -0.304 1.00 0.00 H new ATOM 183 N ALA A 12 0.481 -7.150 2.437 1.00 0.00 N ATOM 184 CA ALA A 12 -0.429 -6.039 2.339 1.00 0.00 C ATOM 185 C ALA A 12 0.308 -4.901 1.683 1.00 0.00 C ATOM 186 O ALA A 12 1.265 -4.375 2.243 1.00 0.00 O ATOM 187 CB ALA A 12 -0.931 -5.640 3.713 1.00 0.00 C ATOM 0 H ALA A 12 1.337 -6.947 2.954 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.301 -6.311 1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.618 -4.799 3.619 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.450 -6.483 4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.087 -5.351 4.339 1.00 0.00 H new ATOM 193 N TYR A 13 -0.093 -4.547 0.485 1.00 0.00 N ATOM 194 CA TYR A 13 0.668 -3.586 -0.273 1.00 0.00 C ATOM 195 C TYR A 13 -0.194 -2.414 -0.678 1.00 0.00 C ATOM 196 O TYR A 13 -1.405 -2.538 -0.831 1.00 0.00 O ATOM 197 CB TYR A 13 1.286 -4.234 -1.521 1.00 0.00 C ATOM 198 CG TYR A 13 0.280 -4.657 -2.582 1.00 0.00 C ATOM 199 CD1 TYR A 13 -0.351 -5.898 -2.526 1.00 0.00 C ATOM 200 CD2 TYR A 13 -0.027 -3.814 -3.647 1.00 0.00 C ATOM 201 CE1 TYR A 13 -1.260 -6.286 -3.501 1.00 0.00 C ATOM 202 CE2 TYR A 13 -0.932 -4.192 -4.621 1.00 0.00 C ATOM 203 CZ TYR A 13 -1.546 -5.426 -4.544 1.00 0.00 C ATOM 204 OH TYR A 13 -2.448 -5.802 -5.514 1.00 0.00 O ATOM 0 H TYR A 13 -0.928 -4.904 0.021 1.00 0.00 H new ATOM 0 HA TYR A 13 1.472 -3.225 0.368 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.991 -3.532 -1.967 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.859 -5.109 -1.214 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.129 -6.570 -1.710 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.451 -2.848 -3.713 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.740 -7.252 -3.445 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.158 -3.524 -5.439 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.537 -5.083 -6.175 1.00 0.00 H new ATOM 214 N GLN A 14 0.448 -1.290 -0.883 1.00 0.00 N ATOM 215 CA GLN A 14 -0.233 -0.095 -1.327 1.00 0.00 C ATOM 216 C GLN A 14 0.455 0.395 -2.585 1.00 0.00 C ATOM 217 O GLN A 14 1.645 0.696 -2.557 1.00 0.00 O ATOM 218 CB GLN A 14 -0.181 0.985 -0.245 1.00 0.00 C ATOM 219 CG GLN A 14 -1.143 2.133 -0.492 1.00 0.00 C ATOM 220 CD GLN A 14 -0.934 3.296 0.456 1.00 0.00 C ATOM 221 OE1 GLN A 14 0.186 3.593 0.866 1.00 0.00 O ATOM 222 NE2 GLN A 14 -2.019 3.946 0.832 1.00 0.00 N ATOM 0 H GLN A 14 1.453 -1.176 -0.748 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.281 -0.316 -1.528 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.407 0.533 0.721 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.834 1.378 -0.183 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.027 2.483 -1.518 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.166 1.770 -0.393 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.931 3.669 0.469 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.946 4.726 1.486 1.00 0.00 H new ATOM 231 N VAL A 15 -0.267 0.451 -3.690 1.00 0.00 N ATOM 232 CA VAL A 15 0.335 0.878 -4.938 1.00 0.00 C ATOM 233 C VAL A 15 -0.021 2.328 -5.253 1.00 0.00 C ATOM 234 O VAL A 15 -1.187 2.701 -5.409 1.00 0.00 O ATOM 235 CB VAL A 15 -0.050 -0.058 -6.111 1.00 0.00 C ATOM 236 CG1 VAL A 15 -1.543 -0.284 -6.187 1.00 0.00 C ATOM 237 CG2 VAL A 15 0.464 0.477 -7.429 1.00 0.00 C ATOM 0 H VAL A 15 -1.256 0.210 -3.748 1.00 0.00 H new ATOM 0 HA VAL A 15 1.416 0.816 -4.814 1.00 0.00 H new ATOM 0 HB VAL A 15 0.425 -1.019 -5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.769 -0.946 -7.023 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.890 -0.740 -5.260 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.049 0.671 -6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.178 -0.201 -8.233 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.034 1.461 -7.615 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.550 0.557 -7.390 1.00 0.00 H new ATOM 247 N ARG A 16 1.021 3.129 -5.331 1.00 0.00 N ATOM 248 CA ARG A 16 0.918 4.561 -5.485 1.00 0.00 C ATOM 249 C ARG A 16 1.921 5.012 -6.541 1.00 0.00 C ATOM 250 O ARG A 16 2.885 4.308 -6.804 1.00 0.00 O ATOM 251 CB ARG A 16 1.245 5.191 -4.127 1.00 0.00 C ATOM 252 CG ARG A 16 1.103 6.695 -4.068 1.00 0.00 C ATOM 253 CD ARG A 16 1.682 7.254 -2.777 1.00 0.00 C ATOM 254 NE ARG A 16 1.230 6.512 -1.594 1.00 0.00 N ATOM 255 CZ ARG A 16 0.979 7.070 -0.408 1.00 0.00 C ATOM 256 NH1 ARG A 16 1.080 8.384 -0.250 1.00 0.00 N ATOM 257 NH2 ARG A 16 0.620 6.310 0.617 1.00 0.00 N ATOM 0 H ARG A 16 1.983 2.793 -5.288 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.080 4.863 -5.803 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.593 4.750 -3.373 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.268 4.927 -3.858 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.611 7.144 -4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.050 6.966 -4.145 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.770 7.224 -2.827 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.396 8.301 -2.677 1.00 0.00 H new ATOM 0 HE ARG A 16 1.099 5.504 -1.684 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.351 8.973 -1.037 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.887 8.805 0.659 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.536 5.300 0.499 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.428 6.735 1.524 1.00 0.00 H new ATOM 271 N THR A 17 1.698 6.155 -7.163 1.00 0.00 N ATOM 272 CA THR A 17 2.699 6.702 -8.074 1.00 0.00 C ATOM 273 C THR A 17 3.814 7.363 -7.279 1.00 0.00 C ATOM 274 O THR A 17 3.681 7.562 -6.068 1.00 0.00 O ATOM 275 CB THR A 17 2.117 7.739 -9.050 1.00 0.00 C ATOM 276 OG1 THR A 17 1.433 8.764 -8.316 1.00 0.00 O ATOM 277 CG2 THR A 17 1.176 7.089 -10.057 1.00 0.00 C ATOM 0 H THR A 17 0.853 6.716 -7.061 1.00 0.00 H new ATOM 0 HA THR A 17 3.077 5.864 -8.659 1.00 0.00 H new ATOM 0 HB THR A 17 2.941 8.183 -9.608 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.619 9.636 -8.722 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.783 7.850 -10.731 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.720 6.340 -10.633 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.351 6.611 -9.528 1.00 0.00 H new ATOM 285 N GLU A 18 4.895 7.723 -7.953 1.00 0.00 N ATOM 286 CA GLU A 18 6.002 8.404 -7.298 1.00 0.00 C ATOM 287 C GLU A 18 5.575 9.787 -6.803 1.00 0.00 C ATOM 288 O GLU A 18 6.195 10.358 -5.907 1.00 0.00 O ATOM 289 CB GLU A 18 7.189 8.516 -8.253 1.00 0.00 C ATOM 290 CG GLU A 18 7.723 7.162 -8.695 1.00 0.00 C ATOM 291 CD GLU A 18 8.887 7.270 -9.659 1.00 0.00 C ATOM 292 OE1 GLU A 18 8.653 7.489 -10.867 1.00 0.00 O ATOM 293 OE2 GLU A 18 10.049 7.148 -9.208 1.00 0.00 O ATOM 0 H GLU A 18 5.030 7.556 -8.950 1.00 0.00 H new ATOM 0 HA GLU A 18 6.305 7.816 -6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.889 9.087 -9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.988 9.075 -7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.037 6.597 -7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.919 6.597 -9.167 1.00 0.00 H new ATOM 300 N ASP A 19 4.494 10.305 -7.376 1.00 0.00 N ATOM 301 CA ASP A 19 4.011 11.643 -7.047 1.00 0.00 C ATOM 302 C ASP A 19 3.017 11.624 -5.895 1.00 0.00 C ATOM 303 O ASP A 19 2.732 12.662 -5.293 1.00 0.00 O ATOM 304 CB ASP A 19 3.387 12.289 -8.277 1.00 0.00 C ATOM 305 CG ASP A 19 4.416 12.512 -9.358 1.00 0.00 C ATOM 306 OD1 ASP A 19 5.107 13.555 -9.317 1.00 0.00 O ATOM 307 OD2 ASP A 19 4.568 11.627 -10.225 1.00 0.00 O ATOM 0 H ASP A 19 3.933 9.817 -8.074 1.00 0.00 H new ATOM 0 HA ASP A 19 4.868 12.234 -6.724 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.587 11.654 -8.658 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.934 13.241 -8.001 1.00 0.00 H new ATOM 312 N GLY A 20 2.486 10.450 -5.587 1.00 0.00 N ATOM 313 CA GLY A 20 1.666 10.317 -4.400 1.00 0.00 C ATOM 314 C GLY A 20 0.178 10.176 -4.667 1.00 0.00 C ATOM 315 O GLY A 20 -0.631 10.546 -3.820 1.00 0.00 O ATOM 0 H GLY A 20 2.606 9.595 -6.131 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.004 9.447 -3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.826 11.189 -3.765 1.00 0.00 H new ATOM 319 N VAL A 21 -0.201 9.641 -5.822 1.00 0.00 N ATOM 320 CA VAL A 21 -1.608 9.334 -6.063 1.00 0.00 C ATOM 321 C VAL A 21 -1.833 7.823 -5.970 1.00 0.00 C ATOM 322 O VAL A 21 -1.029 7.031 -6.469 1.00 0.00 O ATOM 323 CB VAL A 21 -2.125 9.888 -7.419 1.00 0.00 C ATOM 324 CG1 VAL A 21 -1.512 9.160 -8.604 1.00 0.00 C ATOM 325 CG2 VAL A 21 -3.646 9.823 -7.480 1.00 0.00 C ATOM 0 H VAL A 21 0.429 9.414 -6.591 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.187 9.837 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.814 10.931 -7.482 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.902 9.581 -9.531 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.428 9.275 -8.581 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.765 8.101 -8.551 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.989 10.215 -8.437 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.970 8.788 -7.375 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.068 10.419 -6.671 1.00 0.00 H new ATOM 335 N LEU A 22 -2.906 7.434 -5.295 1.00 0.00 N ATOM 336 CA LEU A 22 -3.180 6.030 -5.012 1.00 0.00 C ATOM 337 C LEU A 22 -4.023 5.394 -6.113 1.00 0.00 C ATOM 338 O LEU A 22 -5.084 5.910 -6.470 1.00 0.00 O ATOM 339 CB LEU A 22 -3.907 5.906 -3.670 1.00 0.00 C ATOM 340 CG LEU A 22 -4.272 4.479 -3.258 1.00 0.00 C ATOM 341 CD1 LEU A 22 -3.019 3.665 -2.993 1.00 0.00 C ATOM 342 CD2 LEU A 22 -5.175 4.487 -2.035 1.00 0.00 C ATOM 0 H LEU A 22 -3.608 8.078 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.227 5.502 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.279 6.342 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.820 6.500 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.817 4.014 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.298 2.653 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.411 3.628 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.446 4.129 -2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.423 3.462 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.660 4.972 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.091 5.033 -2.262 1.00 0.00 H new ATOM 354 N VAL A 23 -3.551 4.272 -6.646 1.00 0.00 N ATOM 355 CA VAL A 23 -4.297 3.558 -7.676 1.00 0.00 C ATOM 356 C VAL A 23 -5.005 2.321 -7.108 1.00 0.00 C ATOM 357 O VAL A 23 -6.111 1.987 -7.537 1.00 0.00 O ATOM 358 CB VAL A 23 -3.403 3.158 -8.877 1.00 0.00 C ATOM 359 CG1 VAL A 23 -2.935 4.397 -9.630 1.00 0.00 C ATOM 360 CG2 VAL A 23 -2.208 2.335 -8.424 1.00 0.00 C ATOM 0 H VAL A 23 -2.664 3.841 -6.385 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.054 4.252 -8.040 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.002 2.543 -9.549 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.308 4.097 -10.470 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.801 4.946 -10.001 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.361 5.035 -8.959 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.600 2.070 -9.289 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.609 2.918 -7.724 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.557 1.426 -7.933 1.00 0.00 H new ATOM 370 N ASP A 24 -4.375 1.639 -6.149 1.00 0.00 N ATOM 371 CA ASP A 24 -5.006 0.489 -5.493 1.00 0.00 C ATOM 372 C ASP A 24 -4.291 0.184 -4.181 1.00 0.00 C ATOM 373 O ASP A 24 -3.223 0.737 -3.919 1.00 0.00 O ATOM 374 CB ASP A 24 -4.965 -0.738 -6.407 1.00 0.00 C ATOM 375 CG ASP A 24 -6.050 -1.748 -6.079 1.00 0.00 C ATOM 376 OD1 ASP A 24 -5.829 -2.607 -5.204 1.00 0.00 O ATOM 377 OD2 ASP A 24 -7.137 -1.679 -6.697 1.00 0.00 O ATOM 0 H ASP A 24 -3.438 1.859 -5.811 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.048 0.734 -5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.073 -0.418 -7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.990 -1.217 -6.322 1.00 0.00 H new ATOM 382 N GLU A 25 -4.859 -0.691 -3.362 1.00 0.00 N ATOM 383 CA GLU A 25 -4.258 -1.010 -2.076 1.00 0.00 C ATOM 384 C GLU A 25 -4.853 -2.271 -1.455 1.00 0.00 C ATOM 385 O GLU A 25 -6.072 -2.418 -1.358 1.00 0.00 O ATOM 386 CB GLU A 25 -4.428 0.161 -1.107 1.00 0.00 C ATOM 387 CG GLU A 25 -3.888 -0.118 0.290 1.00 0.00 C ATOM 388 CD GLU A 25 -4.364 0.890 1.311 1.00 0.00 C ATOM 389 OE1 GLU A 25 -4.009 2.079 1.200 1.00 0.00 O ATOM 390 OE2 GLU A 25 -5.097 0.493 2.244 1.00 0.00 O ATOM 0 H GLU A 25 -5.727 -1.188 -3.563 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.199 -1.194 -2.257 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.921 1.035 -1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.487 0.411 -1.035 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.195 -1.117 0.601 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.798 -0.114 0.262 1.00 0.00 H new ATOM 397 N SER A 26 -3.978 -3.174 -1.041 1.00 0.00 N ATOM 398 CA SER A 26 -4.359 -4.282 -0.186 1.00 0.00 C ATOM 399 C SER A 26 -3.982 -3.921 1.242 1.00 0.00 C ATOM 400 O SER A 26 -2.804 -3.913 1.595 1.00 0.00 O ATOM 401 CB SER A 26 -3.654 -5.573 -0.606 1.00 0.00 C ATOM 402 OG SER A 26 -3.891 -5.864 -1.973 1.00 0.00 O ATOM 0 H SER A 26 -2.989 -3.158 -1.288 1.00 0.00 H new ATOM 0 HA SER A 26 -5.432 -4.456 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.582 -5.479 -0.432 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.005 -6.400 0.011 1.00 0.00 H new ATOM 0 HG SER A 26 -3.040 -5.865 -2.459 1.00 0.00 H new ATOM 408 N PRO A 27 -4.975 -3.595 2.071 1.00 0.00 N ATOM 409 CA PRO A 27 -4.740 -3.057 3.411 1.00 0.00 C ATOM 410 C PRO A 27 -4.127 -4.075 4.357 1.00 0.00 C ATOM 411 O PRO A 27 -4.161 -5.277 4.116 1.00 0.00 O ATOM 412 CB PRO A 27 -6.143 -2.691 3.889 1.00 0.00 C ATOM 413 CG PRO A 27 -7.032 -3.618 3.144 1.00 0.00 C ATOM 414 CD PRO A 27 -6.412 -3.753 1.785 1.00 0.00 C ATOM 0 HA PRO A 27 -4.036 -2.225 3.390 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.244 -2.822 4.966 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.380 -1.650 3.671 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.100 -4.585 3.643 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.045 -3.222 3.077 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.632 -4.720 1.333 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.775 -2.990 1.096 1.00 0.00 H new ATOM 422 N VAL A 28 -3.581 -3.570 5.448 1.00 0.00 N ATOM 423 CA VAL A 28 -3.002 -4.409 6.490 1.00 0.00 C ATOM 424 C VAL A 28 -4.099 -5.156 7.233 1.00 0.00 C ATOM 425 O VAL A 28 -3.837 -6.106 7.971 1.00 0.00 O ATOM 426 CB VAL A 28 -2.201 -3.559 7.493 1.00 0.00 C ATOM 427 CG1 VAL A 28 -1.157 -2.742 6.759 1.00 0.00 C ATOM 428 CG2 VAL A 28 -3.126 -2.656 8.301 1.00 0.00 C ATOM 0 H VAL A 28 -3.525 -2.570 5.640 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.331 -5.123 6.013 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.696 -4.227 8.191 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.594 -2.143 7.475 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.477 -3.410 6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.648 -2.084 6.042 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.537 -2.066 9.002 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.663 -1.989 7.627 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.841 -3.267 8.852 1.00 0.00 H new ATOM 438 N SER A 29 -5.324 -4.700 7.032 1.00 0.00 N ATOM 439 CA SER A 29 -6.485 -5.304 7.656 1.00 0.00 C ATOM 440 C SER A 29 -6.902 -6.567 6.907 1.00 0.00 C ATOM 441 O SER A 29 -7.441 -7.506 7.497 1.00 0.00 O ATOM 442 CB SER A 29 -7.617 -4.282 7.695 1.00 0.00 C ATOM 443 OG SER A 29 -7.791 -3.667 6.427 1.00 0.00 O ATOM 0 H SER A 29 -5.539 -3.903 6.433 1.00 0.00 H new ATOM 0 HA SER A 29 -6.241 -5.599 8.676 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.543 -4.771 7.996 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.400 -3.522 8.445 1.00 0.00 H new ATOM 0 HG SER A 29 -8.523 -3.017 6.476 1.00 0.00 H new ATOM 449 N ALA A 30 -6.653 -6.583 5.603 1.00 0.00 N ATOM 450 CA ALA A 30 -6.859 -7.781 4.803 1.00 0.00 C ATOM 451 C ALA A 30 -5.778 -7.886 3.736 1.00 0.00 C ATOM 452 O ALA A 30 -5.734 -7.087 2.800 1.00 0.00 O ATOM 453 CB ALA A 30 -8.238 -7.760 4.162 1.00 0.00 C ATOM 0 H ALA A 30 -6.308 -5.779 5.078 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.796 -8.653 5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.376 -8.663 3.567 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.000 -7.718 4.940 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.327 -6.884 3.519 1.00 0.00 H new ATOM 459 N PRO A 31 -4.924 -8.906 3.851 1.00 0.00 N ATOM 460 CA PRO A 31 -3.766 -9.091 2.977 1.00 0.00 C ATOM 461 C PRO A 31 -4.102 -9.602 1.584 1.00 0.00 C ATOM 462 O PRO A 31 -5.202 -10.092 1.317 1.00 0.00 O ATOM 463 CB PRO A 31 -2.925 -10.145 3.704 1.00 0.00 C ATOM 464 CG PRO A 31 -3.539 -10.296 5.052 1.00 0.00 C ATOM 465 CD PRO A 31 -4.983 -9.950 4.878 1.00 0.00 C ATOM 0 HA PRO A 31 -3.272 -8.134 2.810 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.932 -11.091 3.163 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.885 -9.829 3.782 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.422 -11.314 5.424 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.062 -9.635 5.776 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.572 -10.808 4.554 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.430 -9.587 5.804 1.00 0.00 H new ATOM 473 N LEU A 32 -3.122 -9.467 0.710 1.00 0.00 N ATOM 474 CA LEU A 32 -3.113 -10.126 -0.578 1.00 0.00 C ATOM 475 C LEU A 32 -2.812 -11.594 -0.335 1.00 0.00 C ATOM 476 O LEU A 32 -1.954 -11.927 0.489 1.00 0.00 O ATOM 477 CB LEU A 32 -2.003 -9.534 -1.451 1.00 0.00 C ATOM 478 CG LEU A 32 -2.168 -9.599 -2.978 1.00 0.00 C ATOM 479 CD1 LEU A 32 -0.803 -9.531 -3.641 1.00 0.00 C ATOM 480 CD2 LEU A 32 -2.906 -10.824 -3.455 1.00 0.00 C ATOM 0 H LEU A 32 -2.300 -8.888 0.879 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.072 -9.995 -1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.884 -8.487 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.072 -10.040 -1.195 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.778 -8.742 -3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.922 -9.577 -4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.313 -8.596 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.194 -10.371 -3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.984 -10.801 -4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.363 -11.718 -3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.905 -10.839 -3.020 1.00 0.00 H new ATOM 492 N ASP A 33 -3.500 -12.454 -1.046 1.00 0.00 N ATOM 493 CA ASP A 33 -3.251 -13.884 -0.948 1.00 0.00 C ATOM 494 C ASP A 33 -2.897 -14.424 -2.316 1.00 0.00 C ATOM 495 O ASP A 33 -3.690 -14.322 -3.253 1.00 0.00 O ATOM 496 CB ASP A 33 -4.461 -14.626 -0.379 1.00 0.00 C ATOM 497 CG ASP A 33 -4.600 -14.440 1.118 1.00 0.00 C ATOM 498 OD1 ASP A 33 -3.588 -14.593 1.838 1.00 0.00 O ATOM 499 OD2 ASP A 33 -5.724 -14.153 1.585 1.00 0.00 O ATOM 0 H ASP A 33 -4.238 -12.195 -1.701 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.419 -14.045 -0.263 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.366 -14.272 -0.872 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.371 -15.689 -0.604 1.00 0.00 H new ATOM 504 N TYR A 34 -1.712 -14.995 -2.437 1.00 0.00 N ATOM 505 CA TYR A 34 -1.223 -15.418 -3.736 1.00 0.00 C ATOM 506 C TYR A 34 -0.156 -16.498 -3.604 1.00 0.00 C ATOM 507 O TYR A 34 0.353 -16.761 -2.513 1.00 0.00 O ATOM 508 CB TYR A 34 -0.662 -14.208 -4.496 1.00 0.00 C ATOM 509 CG TYR A 34 0.747 -13.806 -4.096 1.00 0.00 C ATOM 510 CD1 TYR A 34 0.988 -13.055 -2.955 1.00 0.00 C ATOM 511 CD2 TYR A 34 1.837 -14.181 -4.871 1.00 0.00 C ATOM 512 CE1 TYR A 34 2.275 -12.697 -2.599 1.00 0.00 C ATOM 513 CE2 TYR A 34 3.123 -13.825 -4.521 1.00 0.00 C ATOM 514 CZ TYR A 34 3.339 -13.083 -3.386 1.00 0.00 C ATOM 515 OH TYR A 34 4.626 -12.735 -3.029 1.00 0.00 O ATOM 0 H TYR A 34 -1.076 -15.175 -1.660 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.058 -15.843 -4.294 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.673 -14.429 -5.563 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.326 -13.358 -4.340 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.159 -12.746 -2.336 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.674 -14.763 -5.766 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.447 -12.116 -1.705 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.956 -14.129 -5.137 1.00 0.00 H new ATOM 0 HH TYR A 34 5.260 -13.360 -3.440 1.00 0.00 H new ATOM 525 N LEU A 35 0.173 -17.113 -4.728 1.00 0.00 N ATOM 526 CA LEU A 35 1.221 -18.114 -4.785 1.00 0.00 C ATOM 527 C LEU A 35 2.428 -17.529 -5.505 1.00 0.00 C ATOM 528 O LEU A 35 2.349 -17.207 -6.693 1.00 0.00 O ATOM 529 CB LEU A 35 0.709 -19.365 -5.505 1.00 0.00 C ATOM 530 CG LEU A 35 1.707 -20.518 -5.614 1.00 0.00 C ATOM 531 CD1 LEU A 35 2.229 -20.906 -4.242 1.00 0.00 C ATOM 532 CD2 LEU A 35 1.053 -21.712 -6.290 1.00 0.00 C ATOM 0 H LEU A 35 -0.279 -16.932 -5.624 1.00 0.00 H new ATOM 0 HA LEU A 35 1.516 -18.402 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.179 -19.724 -4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.397 -19.082 -6.510 1.00 0.00 H new ATOM 0 HG LEU A 35 2.552 -20.190 -6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.938 -21.728 -4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.728 -20.050 -3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.397 -21.219 -3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.772 -22.528 -6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.194 -22.037 -5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.723 -21.429 -7.290 1.00 0.00 H new ATOM 544 N HIS A 36 3.531 -17.368 -4.784 1.00 0.00 N ATOM 545 CA HIS A 36 4.689 -16.666 -5.321 1.00 0.00 C ATOM 546 C HIS A 36 5.346 -17.457 -6.445 1.00 0.00 C ATOM 547 O HIS A 36 5.511 -18.676 -6.355 1.00 0.00 O ATOM 548 CB HIS A 36 5.701 -16.374 -4.213 1.00 0.00 C ATOM 549 CG HIS A 36 6.772 -15.414 -4.625 1.00 0.00 C ATOM 550 ND1 HIS A 36 6.663 -14.054 -4.450 1.00 0.00 N ATOM 551 CD2 HIS A 36 7.972 -15.620 -5.216 1.00 0.00 C ATOM 552 CE1 HIS A 36 7.745 -13.466 -4.918 1.00 0.00 C ATOM 553 NE2 HIS A 36 8.556 -14.393 -5.388 1.00 0.00 N ATOM 0 H HIS A 36 3.647 -17.712 -3.831 1.00 0.00 H new ATOM 0 HA HIS A 36 4.341 -15.720 -5.736 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.175 -15.971 -3.348 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.163 -17.309 -3.898 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.391 -16.574 -5.499 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.936 -12.403 -4.917 1.00 0.00 H new ATOM 0 HE2 HIS A 36 9.469 -14.224 -5.811 1.00 0.00 H new ATOM 562 N GLY A 37 5.721 -16.750 -7.502 1.00 0.00 N ATOM 563 CA GLY A 37 6.360 -17.389 -8.632 1.00 0.00 C ATOM 564 C GLY A 37 5.357 -18.050 -9.547 1.00 0.00 C ATOM 565 O GLY A 37 5.670 -19.027 -10.227 1.00 0.00 O ATOM 0 H GLY A 37 5.593 -15.742 -7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.930 -16.649 -9.193 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.071 -18.134 -8.274 1.00 0.00 H new ATOM 569 N HIS A 38 4.136 -17.533 -9.543 1.00 0.00 N ATOM 570 CA HIS A 38 3.077 -18.045 -10.404 1.00 0.00 C ATOM 571 C HIS A 38 2.351 -16.904 -11.109 1.00 0.00 C ATOM 572 O HIS A 38 1.239 -17.081 -11.610 1.00 0.00 O ATOM 573 CB HIS A 38 2.080 -18.879 -9.596 1.00 0.00 C ATOM 574 CG HIS A 38 2.443 -20.330 -9.482 1.00 0.00 C ATOM 575 ND1 HIS A 38 1.704 -21.331 -10.075 1.00 0.00 N ATOM 576 CD2 HIS A 38 3.455 -20.952 -8.828 1.00 0.00 C ATOM 577 CE1 HIS A 38 2.242 -22.502 -9.795 1.00 0.00 C ATOM 578 NE2 HIS A 38 3.306 -22.301 -9.040 1.00 0.00 N ATOM 0 H HIS A 38 3.852 -16.754 -8.949 1.00 0.00 H new ATOM 0 HA HIS A 38 3.538 -18.682 -11.159 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.998 -18.457 -8.594 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.096 -18.797 -10.058 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.232 -20.476 -8.249 1.00 0.00 H new ATOM 0 HE1 HIS A 38 1.875 -23.462 -10.127 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.918 -23.030 -8.673 1.00 0.00 H new ATOM 587 N GLY A 39 2.988 -15.738 -11.150 1.00 0.00 N ATOM 588 CA GLY A 39 2.394 -14.581 -11.796 1.00 0.00 C ATOM 589 C GLY A 39 1.093 -14.146 -11.150 1.00 0.00 C ATOM 590 O GLY A 39 0.161 -13.732 -11.841 1.00 0.00 O ATOM 0 H GLY A 39 3.910 -15.573 -10.745 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.102 -13.753 -11.768 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.213 -14.811 -12.846 1.00 0.00 H new ATOM 594 N SER A 40 1.022 -14.256 -9.833 1.00 0.00 N ATOM 595 CA SER A 40 -0.165 -13.867 -9.087 1.00 0.00 C ATOM 596 C SER A 40 -0.409 -12.362 -9.173 1.00 0.00 C ATOM 597 O SER A 40 -1.545 -11.908 -9.319 1.00 0.00 O ATOM 598 CB SER A 40 0.004 -14.287 -7.641 1.00 0.00 C ATOM 599 OG SER A 40 0.127 -15.698 -7.525 1.00 0.00 O ATOM 0 H SER A 40 1.781 -14.615 -9.253 1.00 0.00 H new ATOM 0 HA SER A 40 -1.032 -14.365 -9.522 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.888 -13.807 -7.221 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.851 -13.945 -7.058 1.00 0.00 H new ATOM 0 HG SER A 40 1.042 -15.926 -7.256 1.00 0.00 H new ATOM 605 N LEU A 41 0.670 -11.605 -9.103 1.00 0.00 N ATOM 606 CA LEU A 41 0.630 -10.167 -9.310 1.00 0.00 C ATOM 607 C LEU A 41 1.941 -9.725 -9.941 1.00 0.00 C ATOM 608 O LEU A 41 2.898 -10.495 -9.924 1.00 0.00 O ATOM 609 CB LEU A 41 0.265 -9.331 -8.046 1.00 0.00 C ATOM 610 CG LEU A 41 0.897 -9.635 -6.656 1.00 0.00 C ATOM 611 CD1 LEU A 41 2.013 -10.655 -6.671 1.00 0.00 C ATOM 612 CD2 LEU A 41 1.413 -8.351 -6.029 1.00 0.00 C ATOM 0 H LEU A 41 1.601 -11.969 -8.901 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.197 -9.962 -9.989 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.495 -8.291 -8.277 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.816 -9.399 -7.923 1.00 0.00 H new ATOM 0 HG LEU A 41 0.091 -10.074 -6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.388 -10.799 -5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.635 -11.602 -7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.821 -10.300 -7.310 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.854 -8.572 -5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.169 -7.908 -6.677 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.587 -7.651 -5.902 1.00 0.00 H new ATOM 624 N ILE A 42 1.945 -8.537 -10.558 1.00 0.00 N ATOM 625 CA ILE A 42 3.084 -8.020 -11.345 1.00 0.00 C ATOM 626 C ILE A 42 4.444 -8.546 -10.903 1.00 0.00 C ATOM 627 O ILE A 42 4.785 -8.623 -9.714 1.00 0.00 O ATOM 628 CB ILE A 42 3.122 -6.482 -11.331 1.00 0.00 C ATOM 629 CG1 ILE A 42 3.487 -5.998 -9.929 1.00 0.00 C ATOM 630 CG2 ILE A 42 1.788 -5.935 -11.797 1.00 0.00 C ATOM 631 CD1 ILE A 42 3.236 -4.533 -9.687 1.00 0.00 C ATOM 0 H ILE A 42 1.152 -7.897 -10.528 1.00 0.00 H new ATOM 0 HA ILE A 42 2.906 -8.390 -12.355 1.00 0.00 H new ATOM 0 HB ILE A 42 3.884 -6.114 -12.018 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.919 -6.576 -9.200 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.542 -6.207 -9.750 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.818 -4.845 -11.786 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.586 -6.282 -12.810 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.999 -6.283 -11.130 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.524 -4.278 -8.667 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.825 -3.942 -10.388 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.177 -4.317 -9.830 1.00 0.00 H new ATOM 643 N SER A 43 5.220 -8.868 -11.911 1.00 0.00 N ATOM 644 CA SER A 43 6.500 -9.529 -11.743 1.00 0.00 C ATOM 645 C SER A 43 7.485 -8.644 -10.992 1.00 0.00 C ATOM 646 O SER A 43 8.284 -9.127 -10.188 1.00 0.00 O ATOM 647 CB SER A 43 7.061 -9.862 -13.113 1.00 0.00 C ATOM 648 OG SER A 43 6.103 -10.544 -13.905 1.00 0.00 O ATOM 0 H SER A 43 4.981 -8.678 -12.884 1.00 0.00 H new ATOM 0 HA SER A 43 6.351 -10.437 -11.159 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.367 -8.945 -13.617 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.953 -10.479 -13.004 1.00 0.00 H new ATOM 0 HG SER A 43 6.488 -10.746 -14.783 1.00 0.00 H new ATOM 654 N GLY A 44 7.401 -7.343 -11.249 1.00 0.00 N ATOM 655 CA GLY A 44 8.325 -6.404 -10.653 1.00 0.00 C ATOM 656 C GLY A 44 8.192 -6.351 -9.149 1.00 0.00 C ATOM 657 O GLY A 44 9.179 -6.177 -8.434 1.00 0.00 O ATOM 0 H GLY A 44 6.704 -6.923 -11.864 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.345 -6.683 -10.916 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.149 -5.411 -11.067 1.00 0.00 H new ATOM 661 N LEU A 45 6.967 -6.513 -8.665 1.00 0.00 N ATOM 662 CA LEU A 45 6.715 -6.484 -7.236 1.00 0.00 C ATOM 663 C LEU A 45 7.181 -7.788 -6.597 1.00 0.00 C ATOM 664 O LEU A 45 7.917 -7.777 -5.620 1.00 0.00 O ATOM 665 CB LEU A 45 5.235 -6.228 -6.947 1.00 0.00 C ATOM 666 CG LEU A 45 4.872 -6.079 -5.467 1.00 0.00 C ATOM 667 CD1 LEU A 45 5.793 -5.078 -4.786 1.00 0.00 C ATOM 668 CD2 LEU A 45 3.424 -5.642 -5.323 1.00 0.00 C ATOM 0 H LEU A 45 6.138 -6.665 -9.240 1.00 0.00 H new ATOM 0 HA LEU A 45 7.282 -5.662 -6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.931 -5.322 -7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.653 -7.049 -7.366 1.00 0.00 H new ATOM 0 HG LEU A 45 4.998 -7.047 -4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.518 -4.987 -3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.824 -5.422 -4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.697 -4.107 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.178 -5.540 -4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.282 -4.684 -5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.772 -6.388 -5.776 1.00 0.00 H new ATOM 680 N GLU A 46 6.744 -8.903 -7.178 1.00 0.00 N ATOM 681 CA GLU A 46 7.108 -10.227 -6.664 1.00 0.00 C ATOM 682 C GLU A 46 8.627 -10.371 -6.520 1.00 0.00 C ATOM 683 O GLU A 46 9.115 -10.855 -5.497 1.00 0.00 O ATOM 684 CB GLU A 46 6.564 -11.372 -7.523 1.00 0.00 C ATOM 685 CG GLU A 46 5.076 -11.635 -7.355 1.00 0.00 C ATOM 686 CD GLU A 46 4.678 -13.054 -7.748 1.00 0.00 C ATOM 687 OE1 GLU A 46 5.274 -14.016 -7.209 1.00 0.00 O ATOM 688 OE2 GLU A 46 3.770 -13.215 -8.594 1.00 0.00 O ATOM 0 H GLU A 46 6.141 -8.920 -8.000 1.00 0.00 H new ATOM 0 HA GLU A 46 6.642 -10.301 -5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.765 -11.150 -8.571 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.111 -12.283 -7.280 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.796 -11.458 -6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.515 -10.924 -7.962 1.00 0.00 H new ATOM 695 N THR A 47 9.371 -9.948 -7.539 1.00 0.00 N ATOM 696 CA THR A 47 10.831 -9.984 -7.500 1.00 0.00 C ATOM 697 C THR A 47 11.379 -9.155 -6.340 1.00 0.00 C ATOM 698 O THR A 47 12.369 -9.527 -5.713 1.00 0.00 O ATOM 699 CB THR A 47 11.419 -9.474 -8.832 1.00 0.00 C ATOM 700 OG1 THR A 47 10.962 -10.304 -9.909 1.00 0.00 O ATOM 701 CG2 THR A 47 12.944 -9.466 -8.806 1.00 0.00 C ATOM 0 H THR A 47 8.985 -9.575 -8.406 1.00 0.00 H new ATOM 0 HA THR A 47 11.131 -11.021 -7.349 1.00 0.00 H new ATOM 0 HB THR A 47 11.079 -8.449 -8.979 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.047 -10.051 -10.151 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.322 -9.101 -9.761 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.291 -8.813 -8.005 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.310 -10.478 -8.634 1.00 0.00 H new ATOM 709 N ALA A 48 10.717 -8.050 -6.045 1.00 0.00 N ATOM 710 CA ALA A 48 11.126 -7.189 -4.949 1.00 0.00 C ATOM 711 C ALA A 48 10.724 -7.803 -3.610 1.00 0.00 C ATOM 712 O ALA A 48 11.407 -7.647 -2.597 1.00 0.00 O ATOM 713 CB ALA A 48 10.504 -5.815 -5.117 1.00 0.00 C ATOM 0 H ALA A 48 9.892 -7.727 -6.550 1.00 0.00 H new ATOM 0 HA ALA A 48 12.211 -7.087 -4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.813 -5.172 -4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.833 -5.379 -6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.418 -5.905 -5.119 1.00 0.00 H new ATOM 719 N LEU A 49 9.592 -8.488 -3.622 1.00 0.00 N ATOM 720 CA LEU A 49 9.096 -9.205 -2.458 1.00 0.00 C ATOM 721 C LEU A 49 10.032 -10.335 -2.080 1.00 0.00 C ATOM 722 O LEU A 49 10.144 -10.691 -0.913 1.00 0.00 O ATOM 723 CB LEU A 49 7.696 -9.744 -2.744 1.00 0.00 C ATOM 724 CG LEU A 49 6.684 -8.660 -3.087 1.00 0.00 C ATOM 725 CD1 LEU A 49 5.314 -9.247 -3.382 1.00 0.00 C ATOM 726 CD2 LEU A 49 6.618 -7.655 -1.954 1.00 0.00 C ATOM 0 H LEU A 49 8.989 -8.563 -4.442 1.00 0.00 H new ATOM 0 HA LEU A 49 9.048 -8.514 -1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.750 -10.453 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.343 -10.296 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 49 7.011 -8.152 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.618 -8.443 -3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.386 -9.931 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.954 -9.789 -2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.894 -6.878 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.313 -8.160 -1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.600 -7.203 -1.811 1.00 0.00 H new ATOM 738 N GLU A 50 10.675 -10.902 -3.082 1.00 0.00 N ATOM 739 CA GLU A 50 11.711 -11.905 -2.899 1.00 0.00 C ATOM 740 C GLU A 50 12.842 -11.443 -1.980 1.00 0.00 C ATOM 741 O GLU A 50 13.089 -10.249 -1.805 1.00 0.00 O ATOM 742 CB GLU A 50 12.255 -12.357 -4.251 1.00 0.00 C ATOM 743 CG GLU A 50 11.689 -13.697 -4.679 1.00 0.00 C ATOM 744 CD GLU A 50 11.791 -13.948 -6.166 1.00 0.00 C ATOM 745 OE1 GLU A 50 12.913 -14.130 -6.672 1.00 0.00 O ATOM 746 OE2 GLU A 50 10.735 -13.983 -6.835 1.00 0.00 O ATOM 0 H GLU A 50 10.492 -10.677 -4.060 1.00 0.00 H new ATOM 0 HA GLU A 50 11.244 -12.753 -2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.017 -11.607 -5.005 1.00 0.00 H new ATOM 0 HB3 GLU A 50 13.342 -12.424 -4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.214 -14.491 -4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.642 -13.752 -4.380 1.00 0.00 H new ATOM 753 N GLY A 51 13.504 -12.429 -1.392 1.00 0.00 N ATOM 754 CA GLY A 51 14.619 -12.153 -0.497 1.00 0.00 C ATOM 755 C GLY A 51 14.286 -11.881 0.965 1.00 0.00 C ATOM 756 O GLY A 51 15.102 -12.183 1.833 1.00 0.00 O ATOM 0 H GLY A 51 13.291 -13.419 -1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.302 -13.002 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.160 -11.291 -0.887 1.00 0.00 H new ATOM 760 N HIS A 52 13.116 -11.339 1.271 1.00 0.00 N ATOM 761 CA HIS A 52 12.861 -10.902 2.650 1.00 0.00 C ATOM 762 C HIS A 52 11.906 -11.858 3.352 1.00 0.00 C ATOM 763 O HIS A 52 11.442 -12.826 2.757 1.00 0.00 O ATOM 764 CB HIS A 52 12.340 -9.450 2.713 1.00 0.00 C ATOM 765 CG HIS A 52 10.962 -9.228 2.163 1.00 0.00 C ATOM 766 ND1 HIS A 52 9.815 -9.617 2.824 1.00 0.00 N ATOM 767 CD2 HIS A 52 10.545 -8.626 1.022 1.00 0.00 C ATOM 768 CE1 HIS A 52 8.760 -9.270 2.112 1.00 0.00 C ATOM 769 NE2 HIS A 52 9.174 -8.666 1.017 1.00 0.00 N ATOM 0 H HIS A 52 12.349 -11.192 0.615 1.00 0.00 H new ATOM 0 HA HIS A 52 13.815 -10.920 3.177 1.00 0.00 H new ATOM 0 HB2 HIS A 52 12.353 -9.124 3.753 1.00 0.00 H new ATOM 0 HB3 HIS A 52 13.035 -8.810 2.170 1.00 0.00 H new ATOM 0 HD1 HIS A 52 9.787 -10.098 3.723 1.00 0.00 H new ATOM 0 HD2 HIS A 52 11.176 -8.195 0.258 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.730 -9.451 2.382 1.00 0.00 H new ATOM 778 N GLU A 53 11.619 -11.596 4.620 1.00 0.00 N ATOM 779 CA GLU A 53 10.745 -12.469 5.388 1.00 0.00 C ATOM 780 C GLU A 53 9.493 -11.726 5.827 1.00 0.00 C ATOM 781 O GLU A 53 9.377 -10.518 5.626 1.00 0.00 O ATOM 782 CB GLU A 53 11.469 -13.036 6.611 1.00 0.00 C ATOM 783 CG GLU A 53 12.635 -13.948 6.264 1.00 0.00 C ATOM 784 CD GLU A 53 13.231 -14.636 7.479 1.00 0.00 C ATOM 785 OE1 GLU A 53 13.193 -14.053 8.582 1.00 0.00 O ATOM 786 OE2 GLU A 53 13.736 -15.772 7.341 1.00 0.00 O ATOM 0 H GLU A 53 11.976 -10.791 5.135 1.00 0.00 H new ATOM 0 HA GLU A 53 10.456 -13.298 4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.835 -12.210 7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.755 -13.590 7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 53 12.299 -14.703 5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.410 -13.365 5.767 1.00 0.00 H new ATOM 793 N VAL A 54 8.539 -12.470 6.370 1.00 0.00 N ATOM 794 CA VAL A 54 7.325 -11.888 6.942 1.00 0.00 C ATOM 795 C VAL A 54 7.673 -10.807 7.968 1.00 0.00 C ATOM 796 O VAL A 54 8.692 -10.895 8.662 1.00 0.00 O ATOM 797 CB VAL A 54 6.395 -12.960 7.580 1.00 0.00 C ATOM 798 CG1 VAL A 54 6.774 -14.354 7.120 1.00 0.00 C ATOM 799 CG2 VAL A 54 6.387 -12.885 9.098 1.00 0.00 C ATOM 0 H VAL A 54 8.581 -13.487 6.428 1.00 0.00 H new ATOM 0 HA VAL A 54 6.776 -11.433 6.118 1.00 0.00 H new ATOM 0 HB VAL A 54 5.383 -12.742 7.237 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.108 -15.083 7.581 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.685 -14.416 6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.802 -14.566 7.412 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.724 -13.653 9.497 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.397 -13.046 9.476 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.035 -11.902 9.412 1.00 0.00 H new ATOM 809 N GLY A 55 6.856 -9.772 8.018 1.00 0.00 N ATOM 810 CA GLY A 55 7.097 -8.688 8.947 1.00 0.00 C ATOM 811 C GLY A 55 7.855 -7.536 8.326 1.00 0.00 C ATOM 812 O GLY A 55 7.809 -6.415 8.833 1.00 0.00 O ATOM 0 H GLY A 55 6.028 -9.660 7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.143 -8.325 9.328 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.658 -9.067 9.801 1.00 0.00 H new ATOM 816 N ASP A 56 8.548 -7.797 7.222 1.00 0.00 N ATOM 817 CA ASP A 56 9.293 -6.751 6.534 1.00 0.00 C ATOM 818 C ASP A 56 8.344 -5.732 5.928 1.00 0.00 C ATOM 819 O ASP A 56 7.319 -6.094 5.343 1.00 0.00 O ATOM 820 CB ASP A 56 10.181 -7.331 5.426 1.00 0.00 C ATOM 821 CG ASP A 56 11.522 -7.826 5.928 1.00 0.00 C ATOM 822 OD1 ASP A 56 12.421 -6.989 6.150 1.00 0.00 O ATOM 823 OD2 ASP A 56 11.697 -9.054 6.075 1.00 0.00 O ATOM 0 H ASP A 56 8.609 -8.718 6.788 1.00 0.00 H new ATOM 0 HA ASP A 56 9.929 -6.266 7.275 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.655 -8.155 4.943 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.345 -6.568 4.665 1.00 0.00 H new ATOM 828 N LYS A 57 8.681 -4.467 6.080 1.00 0.00 N ATOM 829 CA LYS A 57 7.918 -3.395 5.473 1.00 0.00 C ATOM 830 C LYS A 57 8.868 -2.374 4.878 1.00 0.00 C ATOM 831 O LYS A 57 9.749 -1.858 5.568 1.00 0.00 O ATOM 832 CB LYS A 57 6.992 -2.730 6.493 1.00 0.00 C ATOM 833 CG LYS A 57 6.205 -1.564 5.913 1.00 0.00 C ATOM 834 CD LYS A 57 6.682 -0.231 6.454 1.00 0.00 C ATOM 835 CE LYS A 57 6.380 -0.096 7.938 1.00 0.00 C ATOM 836 NZ LYS A 57 4.920 -0.192 8.218 1.00 0.00 N ATOM 0 H LYS A 57 9.485 -4.155 6.624 1.00 0.00 H new ATOM 0 HA LYS A 57 7.294 -3.814 4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.296 -3.473 6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.585 -2.377 7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.298 -1.569 4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.147 -1.691 6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.755 -0.132 6.289 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.199 0.579 5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.907 -0.875 8.488 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.757 0.861 8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.740 0.055 9.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.404 0.465 7.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.595 -1.164 8.039 1.00 0.00 H new ATOM 850 N PHE A 58 8.695 -2.088 3.603 1.00 0.00 N ATOM 851 CA PHE A 58 9.584 -1.178 2.908 1.00 0.00 C ATOM 852 C PHE A 58 8.856 -0.549 1.733 1.00 0.00 C ATOM 853 O PHE A 58 7.684 -0.853 1.489 1.00 0.00 O ATOM 854 CB PHE A 58 10.844 -1.922 2.432 1.00 0.00 C ATOM 855 CG PHE A 58 10.584 -2.996 1.404 1.00 0.00 C ATOM 856 CD1 PHE A 58 9.978 -4.191 1.760 1.00 0.00 C ATOM 857 CD2 PHE A 58 10.950 -2.805 0.081 1.00 0.00 C ATOM 858 CE1 PHE A 58 9.740 -5.172 0.817 1.00 0.00 C ATOM 859 CE2 PHE A 58 10.716 -3.784 -0.864 1.00 0.00 C ATOM 860 CZ PHE A 58 10.109 -4.968 -0.498 1.00 0.00 C ATOM 0 H PHE A 58 7.947 -2.473 3.027 1.00 0.00 H new ATOM 0 HA PHE A 58 9.894 -0.388 3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 58 11.542 -1.197 2.014 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.332 -2.374 3.296 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.688 -4.357 2.787 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.423 -1.880 -0.214 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.266 -6.098 1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.008 -3.623 -1.891 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.923 -5.733 -1.238 1.00 0.00 H new ATOM 870 N ASP A 59 9.548 0.307 0.996 1.00 0.00 N ATOM 871 CA ASP A 59 8.963 0.971 -0.149 1.00 0.00 C ATOM 872 C ASP A 59 9.592 0.389 -1.392 1.00 0.00 C ATOM 873 O ASP A 59 10.787 0.093 -1.405 1.00 0.00 O ATOM 874 CB ASP A 59 9.218 2.483 -0.125 1.00 0.00 C ATOM 875 CG ASP A 59 8.595 3.186 1.063 1.00 0.00 C ATOM 876 OD1 ASP A 59 9.162 3.109 2.171 1.00 0.00 O ATOM 877 OD2 ASP A 59 7.558 3.852 0.892 1.00 0.00 O ATOM 0 H ASP A 59 10.521 0.556 1.176 1.00 0.00 H new ATOM 0 HA ASP A 59 7.884 0.816 -0.131 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.293 2.661 -0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.827 2.923 -1.042 1.00 0.00 H new ATOM 882 N VAL A 60 8.812 0.248 -2.435 1.00 0.00 N ATOM 883 CA VAL A 60 9.279 -0.371 -3.655 1.00 0.00 C ATOM 884 C VAL A 60 8.994 0.570 -4.802 1.00 0.00 C ATOM 885 O VAL A 60 7.973 1.251 -4.791 1.00 0.00 O ATOM 886 CB VAL A 60 8.564 -1.710 -3.922 1.00 0.00 C ATOM 887 CG1 VAL A 60 9.292 -2.523 -4.975 1.00 0.00 C ATOM 888 CG2 VAL A 60 8.409 -2.514 -2.649 1.00 0.00 C ATOM 0 H VAL A 60 7.840 0.557 -2.465 1.00 0.00 H new ATOM 0 HA VAL A 60 10.346 -0.570 -3.558 1.00 0.00 H new ATOM 0 HB VAL A 60 7.569 -1.475 -4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.763 -3.461 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.331 -1.959 -5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.306 -2.733 -4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.901 -3.453 -2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.393 -2.724 -2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.821 -1.945 -1.929 1.00 0.00 H new ATOM 898 N ALA A 61 9.883 0.640 -5.768 1.00 0.00 N ATOM 899 CA ALA A 61 9.642 1.449 -6.941 1.00 0.00 C ATOM 900 C ALA A 61 10.003 0.656 -8.183 1.00 0.00 C ATOM 901 O ALA A 61 11.166 0.330 -8.410 1.00 0.00 O ATOM 902 CB ALA A 61 10.430 2.745 -6.859 1.00 0.00 C ATOM 0 H ALA A 61 10.777 0.148 -5.764 1.00 0.00 H new ATOM 0 HA ALA A 61 8.585 1.711 -6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.239 3.344 -7.749 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.123 3.302 -5.974 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.495 2.520 -6.795 1.00 0.00 H new ATOM 908 N VAL A 62 8.993 0.338 -8.970 1.00 0.00 N ATOM 909 CA VAL A 62 9.172 -0.510 -10.136 1.00 0.00 C ATOM 910 C VAL A 62 8.677 0.193 -11.388 1.00 0.00 C ATOM 911 O VAL A 62 7.665 0.897 -11.359 1.00 0.00 O ATOM 912 CB VAL A 62 8.428 -1.853 -9.970 1.00 0.00 C ATOM 913 CG1 VAL A 62 8.621 -2.738 -11.189 1.00 0.00 C ATOM 914 CG2 VAL A 62 8.901 -2.573 -8.718 1.00 0.00 C ATOM 0 H VAL A 62 8.035 0.655 -8.823 1.00 0.00 H new ATOM 0 HA VAL A 62 10.238 -0.713 -10.234 1.00 0.00 H new ATOM 0 HB VAL A 62 7.364 -1.637 -9.870 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.087 -3.677 -11.045 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.232 -2.231 -12.072 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.683 -2.942 -11.326 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.366 -3.517 -8.617 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.971 -2.768 -8.793 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.706 -1.951 -7.845 1.00 0.00 H new ATOM 924 N GLY A 63 9.408 0.004 -12.473 1.00 0.00 N ATOM 925 CA GLY A 63 9.043 0.602 -13.734 1.00 0.00 C ATOM 926 C GLY A 63 7.797 -0.021 -14.320 1.00 0.00 C ATOM 927 O GLY A 63 7.519 -1.201 -14.098 1.00 0.00 O ATOM 0 H GLY A 63 10.257 -0.560 -12.500 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.882 1.671 -13.594 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.868 0.493 -14.438 1.00 0.00 H new ATOM 931 N ALA A 64 7.051 0.781 -15.069 1.00 0.00 N ATOM 932 CA ALA A 64 5.815 0.345 -15.719 1.00 0.00 C ATOM 933 C ALA A 64 5.994 -0.924 -16.563 1.00 0.00 C ATOM 934 O ALA A 64 5.025 -1.613 -16.865 1.00 0.00 O ATOM 935 CB ALA A 64 5.269 1.470 -16.583 1.00 0.00 C ATOM 0 H ALA A 64 7.285 1.758 -15.246 1.00 0.00 H new ATOM 0 HA ALA A 64 5.108 0.097 -14.927 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.348 1.143 -17.066 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.063 2.340 -15.960 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.004 1.734 -17.343 1.00 0.00 H new ATOM 941 N ASN A 65 7.227 -1.226 -16.950 1.00 0.00 N ATOM 942 CA ASN A 65 7.496 -2.387 -17.794 1.00 0.00 C ATOM 943 C ASN A 65 7.419 -3.689 -16.995 1.00 0.00 C ATOM 944 O ASN A 65 7.220 -4.760 -17.567 1.00 0.00 O ATOM 945 CB ASN A 65 8.870 -2.258 -18.466 1.00 0.00 C ATOM 946 CG ASN A 65 10.013 -2.497 -17.501 1.00 0.00 C ATOM 947 OD1 ASN A 65 10.449 -1.587 -16.799 1.00 0.00 O ATOM 948 ND2 ASN A 65 10.527 -3.715 -17.486 1.00 0.00 N ATOM 0 H ASN A 65 8.054 -0.687 -16.695 1.00 0.00 H new ATOM 0 HA ASN A 65 6.727 -2.419 -18.566 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.937 -2.971 -19.288 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.967 -1.263 -18.899 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.316 -3.928 -16.876 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.135 -4.442 -18.085 1.00 0.00 H new ATOM 955 N ASP A 66 7.578 -3.596 -15.678 1.00 0.00 N ATOM 956 CA ASP A 66 7.503 -4.778 -14.817 1.00 0.00 C ATOM 957 C ASP A 66 6.298 -4.698 -13.884 1.00 0.00 C ATOM 958 O ASP A 66 5.963 -5.663 -13.192 1.00 0.00 O ATOM 959 CB ASP A 66 8.779 -4.937 -13.981 1.00 0.00 C ATOM 960 CG ASP A 66 9.959 -5.472 -14.772 1.00 0.00 C ATOM 961 OD1 ASP A 66 9.910 -6.641 -15.210 1.00 0.00 O ATOM 962 OD2 ASP A 66 10.954 -4.735 -14.934 1.00 0.00 O ATOM 0 H ASP A 66 7.758 -2.722 -15.184 1.00 0.00 H new ATOM 0 HA ASP A 66 7.396 -5.645 -15.469 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.047 -3.971 -13.554 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.576 -5.609 -13.147 1.00 0.00 H new ATOM 967 N ALA A 67 5.662 -3.538 -13.862 1.00 0.00 N ATOM 968 CA ALA A 67 4.509 -3.300 -13.008 1.00 0.00 C ATOM 969 C ALA A 67 3.333 -2.795 -13.837 1.00 0.00 C ATOM 970 O ALA A 67 3.257 -3.068 -15.035 1.00 0.00 O ATOM 971 CB ALA A 67 4.872 -2.297 -11.924 1.00 0.00 C ATOM 0 H ALA A 67 5.929 -2.737 -14.434 1.00 0.00 H new ATOM 0 HA ALA A 67 4.214 -4.237 -12.535 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.006 -2.121 -11.286 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.691 -2.692 -11.323 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.180 -1.358 -12.385 1.00 0.00 H new ATOM 1119 N GLN A 77 -2.167 15.856 -22.199 1.00 0.00 N ATOM 1120 CA GLN A 77 -2.987 17.033 -22.455 1.00 0.00 C ATOM 1121 C GLN A 77 -2.129 18.207 -22.912 1.00 0.00 C ATOM 1122 O GLN A 77 -0.898 18.140 -22.898 1.00 0.00 O ATOM 1123 CB GLN A 77 -3.802 17.430 -21.212 1.00 0.00 C ATOM 1124 CG GLN A 77 -2.971 17.875 -20.012 1.00 0.00 C ATOM 1125 CD GLN A 77 -2.366 16.716 -19.239 1.00 0.00 C ATOM 1126 OE1 GLN A 77 -2.999 16.159 -18.342 1.00 0.00 O ATOM 1127 NE2 GLN A 77 -1.130 16.362 -19.559 1.00 0.00 N ATOM 0 HA GLN A 77 -3.683 16.775 -23.253 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.481 18.238 -21.484 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.418 16.582 -20.914 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.171 18.531 -20.356 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.599 18.462 -19.341 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.638 16.848 -20.309 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.670 15.603 -19.056 1.00 0.00 H new ATOM 1136 N ARG A 78 -2.796 19.278 -23.307 1.00 0.00 N ATOM 1137 CA ARG A 78 -2.129 20.478 -23.784 1.00 0.00 C ATOM 1138 C ARG A 78 -2.302 21.599 -22.772 1.00 0.00 C ATOM 1139 O ARG A 78 -3.417 22.073 -22.546 1.00 0.00 O ATOM 1140 CB ARG A 78 -2.691 20.919 -25.140 1.00 0.00 C ATOM 1141 CG ARG A 78 -2.230 20.081 -26.325 1.00 0.00 C ATOM 1142 CD ARG A 78 -2.925 18.729 -26.397 1.00 0.00 C ATOM 1143 NE ARG A 78 -2.526 17.987 -27.594 1.00 0.00 N ATOM 1144 CZ ARG A 78 -2.820 16.710 -27.823 1.00 0.00 C ATOM 1145 NH1 ARG A 78 -3.532 16.010 -26.950 1.00 0.00 N ATOM 1146 NH2 ARG A 78 -2.403 16.129 -28.939 1.00 0.00 N ATOM 0 H ARG A 78 -3.814 19.341 -23.306 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.070 20.253 -23.907 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.780 20.889 -25.093 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.408 21.957 -25.315 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.418 20.630 -27.248 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.153 19.928 -26.259 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.683 18.146 -25.508 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.005 18.873 -26.400 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.985 18.484 -28.302 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.861 16.450 -26.091 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.750 15.032 -27.138 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.859 16.661 -29.618 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.626 15.150 -29.118 1.00 0.00 H new ATOM 1160 N VAL A 79 -1.206 22.008 -22.159 1.00 0.00 N ATOM 1161 CA VAL A 79 -1.246 23.015 -21.108 1.00 0.00 C ATOM 1162 C VAL A 79 -0.796 24.378 -21.641 1.00 0.00 C ATOM 1163 O VAL A 79 0.220 24.479 -22.332 1.00 0.00 O ATOM 1164 CB VAL A 79 -0.353 22.605 -19.916 1.00 0.00 C ATOM 1165 CG1 VAL A 79 -0.614 23.496 -18.714 1.00 0.00 C ATOM 1166 CG2 VAL A 79 -0.570 21.143 -19.556 1.00 0.00 C ATOM 0 H VAL A 79 -0.272 21.658 -22.371 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.278 23.092 -20.766 1.00 0.00 H new ATOM 0 HB VAL A 79 0.687 22.732 -20.215 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.026 23.188 -17.887 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.397 24.532 -18.975 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.659 23.408 -18.416 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.069 20.877 -18.714 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.614 20.987 -19.283 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.321 20.517 -20.413 1.00 0.00 H new ATOM 1176 N PRO A 80 -1.571 25.435 -21.339 1.00 0.00 N ATOM 1177 CA PRO A 80 -1.267 26.810 -21.763 1.00 0.00 C ATOM 1178 C PRO A 80 0.080 27.304 -21.239 1.00 0.00 C ATOM 1179 O PRO A 80 0.482 26.990 -20.119 1.00 0.00 O ATOM 1180 CB PRO A 80 -2.391 27.651 -21.147 1.00 0.00 C ATOM 1181 CG PRO A 80 -3.466 26.694 -20.764 1.00 0.00 C ATOM 1182 CD PRO A 80 -2.818 25.358 -20.560 1.00 0.00 C ATOM 0 HA PRO A 80 -1.206 26.876 -22.849 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.033 28.202 -20.277 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.762 28.387 -21.860 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.966 27.022 -19.853 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.227 26.638 -21.543 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.617 25.170 -19.505 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.457 24.548 -20.912 1.00 0.00 H new ATOM 1190 N LYS A 81 0.759 28.087 -22.077 1.00 0.00 N ATOM 1191 CA LYS A 81 2.055 28.678 -21.743 1.00 0.00 C ATOM 1192 C LYS A 81 1.989 29.462 -20.432 1.00 0.00 C ATOM 1193 O LYS A 81 2.919 29.428 -19.630 1.00 0.00 O ATOM 1194 CB LYS A 81 2.504 29.628 -22.861 1.00 0.00 C ATOM 1195 CG LYS A 81 2.662 28.976 -24.230 1.00 0.00 C ATOM 1196 CD LYS A 81 4.065 28.441 -24.458 1.00 0.00 C ATOM 1197 CE LYS A 81 5.114 29.542 -24.382 1.00 0.00 C ATOM 1198 NZ LYS A 81 4.909 30.587 -25.420 1.00 0.00 N ATOM 0 H LYS A 81 0.425 28.330 -23.010 1.00 0.00 H new ATOM 0 HA LYS A 81 2.769 27.862 -21.631 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.780 30.439 -22.942 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.455 30.077 -22.576 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.945 28.161 -24.326 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.423 29.704 -25.006 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.287 27.677 -23.713 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.115 27.959 -25.434 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.084 30.003 -23.395 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.106 29.105 -24.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.718 31.241 -25.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.828 30.137 -26.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.037 31.115 -25.214 1.00 0.00 H new ATOM 1212 N ASP A 82 0.881 30.174 -20.238 1.00 0.00 N ATOM 1213 CA ASP A 82 0.688 31.039 -19.070 1.00 0.00 C ATOM 1214 C ASP A 82 0.765 30.249 -17.763 1.00 0.00 C ATOM 1215 O ASP A 82 1.287 30.737 -16.758 1.00 0.00 O ATOM 1216 CB ASP A 82 -0.669 31.742 -19.177 1.00 0.00 C ATOM 1217 CG ASP A 82 -0.928 32.707 -18.037 1.00 0.00 C ATOM 1218 OD1 ASP A 82 -0.454 33.859 -18.109 1.00 0.00 O ATOM 1219 OD2 ASP A 82 -1.619 32.322 -17.072 1.00 0.00 O ATOM 0 H ASP A 82 0.091 30.170 -20.883 1.00 0.00 H new ATOM 0 HA ASP A 82 1.490 31.777 -19.057 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.718 32.283 -20.122 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.460 30.992 -19.198 1.00 0.00 H new ATOM 1224 N VAL A 83 0.226 29.036 -17.793 1.00 0.00 N ATOM 1225 CA VAL A 83 0.240 28.134 -16.641 1.00 0.00 C ATOM 1226 C VAL A 83 1.655 27.935 -16.086 1.00 0.00 C ATOM 1227 O VAL A 83 1.855 27.833 -14.872 1.00 0.00 O ATOM 1228 CB VAL A 83 -0.373 26.769 -17.022 1.00 0.00 C ATOM 1229 CG1 VAL A 83 -0.244 25.764 -15.891 1.00 0.00 C ATOM 1230 CG2 VAL A 83 -1.831 26.941 -17.418 1.00 0.00 C ATOM 0 H VAL A 83 -0.234 28.647 -18.616 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.361 28.597 -15.859 1.00 0.00 H new ATOM 0 HB VAL A 83 0.183 26.378 -17.874 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.686 24.815 -16.195 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.810 25.614 -15.656 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.763 26.140 -15.009 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.252 25.972 -17.685 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.388 27.361 -16.581 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.899 27.614 -18.273 1.00 0.00 H new ATOM 1240 N PHE A 84 2.635 27.917 -16.972 1.00 0.00 N ATOM 1241 CA PHE A 84 4.017 27.694 -16.573 1.00 0.00 C ATOM 1242 C PHE A 84 4.786 29.005 -16.505 1.00 0.00 C ATOM 1243 O PHE A 84 5.939 29.081 -16.915 1.00 0.00 O ATOM 1244 CB PHE A 84 4.717 26.735 -17.531 1.00 0.00 C ATOM 1245 CG PHE A 84 4.032 25.409 -17.676 1.00 0.00 C ATOM 1246 CD1 PHE A 84 4.008 24.510 -16.625 1.00 0.00 C ATOM 1247 CD2 PHE A 84 3.415 25.064 -18.865 1.00 0.00 C ATOM 1248 CE1 PHE A 84 3.381 23.287 -16.760 1.00 0.00 C ATOM 1249 CE2 PHE A 84 2.789 23.845 -19.006 1.00 0.00 C ATOM 1250 CZ PHE A 84 2.771 22.954 -17.952 1.00 0.00 C ATOM 0 H PHE A 84 2.501 28.054 -17.974 1.00 0.00 H new ATOM 0 HA PHE A 84 4.000 27.246 -15.579 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.788 27.205 -18.512 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.736 26.569 -17.183 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.484 24.767 -15.690 1.00 0.00 H new ATOM 0 HD2 PHE A 84 3.424 25.758 -19.692 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.368 22.592 -15.933 1.00 0.00 H new ATOM 0 HE2 PHE A 84 2.313 23.587 -19.940 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.280 21.998 -18.060 1.00 0.00 H new ATOM 1260 N MET A 85 4.130 30.036 -15.997 1.00 0.00 N ATOM 1261 CA MET A 85 4.740 31.356 -15.839 1.00 0.00 C ATOM 1262 C MET A 85 6.111 31.289 -15.151 1.00 0.00 C ATOM 1263 O MET A 85 6.999 32.092 -15.444 1.00 0.00 O ATOM 1264 CB MET A 85 3.809 32.261 -15.035 1.00 0.00 C ATOM 1265 CG MET A 85 3.407 31.659 -13.706 1.00 0.00 C ATOM 1266 SD MET A 85 2.776 32.880 -12.542 1.00 0.00 S ATOM 1267 CE MET A 85 4.263 33.828 -12.226 1.00 0.00 C ATOM 0 H MET A 85 3.161 29.987 -15.682 1.00 0.00 H new ATOM 0 HA MET A 85 4.894 31.764 -16.838 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.301 33.218 -14.861 1.00 0.00 H new ATOM 0 HB3 MET A 85 2.913 32.466 -15.621 1.00 0.00 H new ATOM 0 HG2 MET A 85 2.645 30.898 -13.874 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.268 31.157 -13.266 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.445 33.872 -11.152 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.110 33.351 -12.719 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.140 34.839 -12.615 1.00 0.00 H new ATOM 1277 N GLY A 86 6.279 30.334 -14.243 1.00 0.00 N ATOM 1278 CA GLY A 86 7.521 30.224 -13.503 1.00 0.00 C ATOM 1279 C GLY A 86 8.556 29.337 -14.178 1.00 0.00 C ATOM 1280 O GLY A 86 9.550 28.959 -13.554 1.00 0.00 O ATOM 0 H GLY A 86 5.576 29.634 -14.006 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.942 31.220 -13.366 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.308 29.829 -12.510 1.00 0.00 H new ATOM 1284 N VAL A 87 8.336 28.998 -15.441 1.00 0.00 N ATOM 1285 CA VAL A 87 9.282 28.167 -16.180 1.00 0.00 C ATOM 1286 C VAL A 87 10.375 29.035 -16.799 1.00 0.00 C ATOM 1287 O VAL A 87 10.223 30.254 -16.892 1.00 0.00 O ATOM 1288 CB VAL A 87 8.585 27.346 -17.298 1.00 0.00 C ATOM 1289 CG1 VAL A 87 8.317 28.205 -18.529 1.00 0.00 C ATOM 1290 CG2 VAL A 87 9.405 26.117 -17.664 1.00 0.00 C ATOM 0 H VAL A 87 7.515 29.283 -15.975 1.00 0.00 H new ATOM 0 HA VAL A 87 9.720 27.467 -15.468 1.00 0.00 H new ATOM 0 HB VAL A 87 7.624 27.009 -16.910 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.828 27.602 -19.294 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.670 29.039 -18.257 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.260 28.589 -18.917 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.894 25.560 -18.449 1.00 0.00 H new ATOM 0 HG22 VAL A 87 10.387 26.428 -18.020 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.521 25.482 -16.785 1.00 0.00 H new ATOM 1300 N ASP A 88 11.479 28.417 -17.192 1.00 0.00 N ATOM 1301 CA ASP A 88 12.529 29.120 -17.922 1.00 0.00 C ATOM 1302 C ASP A 88 11.981 29.595 -19.263 1.00 0.00 C ATOM 1303 O ASP A 88 11.651 30.770 -19.437 1.00 0.00 O ATOM 1304 CB ASP A 88 13.734 28.197 -18.134 1.00 0.00 C ATOM 1305 CG ASP A 88 14.936 28.918 -18.711 1.00 0.00 C ATOM 1306 OD1 ASP A 88 14.923 29.247 -19.915 1.00 0.00 O ATOM 1307 OD2 ASP A 88 15.910 29.138 -17.963 1.00 0.00 O ATOM 0 H ASP A 88 11.673 27.431 -17.019 1.00 0.00 H new ATOM 0 HA ASP A 88 12.856 29.984 -17.343 1.00 0.00 H new ATOM 0 HB2 ASP A 88 14.011 27.745 -17.182 1.00 0.00 H new ATOM 0 HB3 ASP A 88 13.449 27.384 -18.802 1.00 0.00 H new ATOM 1312 N GLU A 89 11.887 28.664 -20.194 1.00 0.00 N ATOM 1313 CA GLU A 89 11.234 28.874 -21.468 1.00 0.00 C ATOM 1314 C GLU A 89 10.646 27.559 -21.932 1.00 0.00 C ATOM 1315 O GLU A 89 11.372 26.582 -22.094 1.00 0.00 O ATOM 1316 CB GLU A 89 12.200 29.397 -22.511 1.00 0.00 C ATOM 1317 CG GLU A 89 12.403 30.892 -22.437 1.00 0.00 C ATOM 1318 CD GLU A 89 13.245 31.431 -23.577 1.00 0.00 C ATOM 1319 OE1 GLU A 89 12.665 31.791 -24.624 1.00 0.00 O ATOM 1320 OE2 GLU A 89 14.483 31.499 -23.437 1.00 0.00 O ATOM 0 H GLU A 89 12.270 27.725 -20.082 1.00 0.00 H new ATOM 0 HA GLU A 89 10.451 29.621 -21.340 1.00 0.00 H new ATOM 0 HB2 GLU A 89 13.162 28.900 -22.388 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.831 29.136 -23.503 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.431 31.386 -22.445 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.881 31.142 -21.490 1.00 0.00 H new ATOM 1327 N LEU A 90 9.338 27.524 -22.111 1.00 0.00 N ATOM 1328 CA LEU A 90 8.662 26.309 -22.537 1.00 0.00 C ATOM 1329 C LEU A 90 9.189 25.851 -23.887 1.00 0.00 C ATOM 1330 O LEU A 90 8.860 26.419 -24.928 1.00 0.00 O ATOM 1331 CB LEU A 90 7.151 26.520 -22.587 1.00 0.00 C ATOM 1332 CG LEU A 90 6.492 26.722 -21.224 1.00 0.00 C ATOM 1333 CD1 LEU A 90 5.011 27.006 -21.385 1.00 0.00 C ATOM 1334 CD2 LEU A 90 6.709 25.498 -20.346 1.00 0.00 C ATOM 0 H LEU A 90 8.721 28.323 -21.968 1.00 0.00 H new ATOM 0 HA LEU A 90 8.869 25.527 -21.807 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.939 27.388 -23.211 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.693 25.659 -23.073 1.00 0.00 H new ATOM 0 HG LEU A 90 6.954 27.582 -20.740 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.559 27.147 -20.403 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.876 27.909 -21.980 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.532 26.166 -21.888 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.234 25.656 -19.378 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.271 24.623 -20.827 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.778 25.337 -20.204 1.00 0.00 H new ATOM 1346 N GLN A 91 10.022 24.829 -23.843 1.00 0.00 N ATOM 1347 CA GLN A 91 10.693 24.323 -25.022 1.00 0.00 C ATOM 1348 C GLN A 91 10.374 22.847 -25.182 1.00 0.00 C ATOM 1349 O GLN A 91 9.896 22.208 -24.247 1.00 0.00 O ATOM 1350 CB GLN A 91 12.199 24.511 -24.859 1.00 0.00 C ATOM 1351 CG GLN A 91 12.970 24.567 -26.164 1.00 0.00 C ATOM 1352 CD GLN A 91 14.449 24.819 -25.945 1.00 0.00 C ATOM 1353 OE1 GLN A 91 14.781 25.535 -24.878 1.00 0.00 O flip ATOM 1354 NE2 GLN A 91 15.289 24.376 -26.728 1.00 0.00 N flip ATOM 0 H GLN A 91 10.252 24.326 -22.986 1.00 0.00 H new ATOM 0 HA GLN A 91 10.354 24.864 -25.906 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.380 25.432 -24.305 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.591 23.693 -24.254 1.00 0.00 H new ATOM 0 HG2 GLN A 91 12.839 23.628 -26.702 1.00 0.00 H new ATOM 0 HG3 GLN A 91 12.558 25.356 -26.794 1.00 0.00 H new ATOM 0 HE21 GLN A 91 14.994 23.830 -27.537 1.00 0.00 H new ATOM 0 HE22 GLN A 91 16.280 24.555 -26.568 1.00 0.00 H new ATOM 1363 N VAL A 92 10.674 22.305 -26.346 1.00 0.00 N ATOM 1364 CA VAL A 92 10.387 20.912 -26.636 1.00 0.00 C ATOM 1365 C VAL A 92 11.477 20.025 -26.048 1.00 0.00 C ATOM 1366 O VAL A 92 12.656 20.379 -26.083 1.00 0.00 O ATOM 1367 CB VAL A 92 10.298 20.665 -28.156 1.00 0.00 C ATOM 1368 CG1 VAL A 92 9.896 19.232 -28.443 1.00 0.00 C ATOM 1369 CG2 VAL A 92 9.322 21.636 -28.800 1.00 0.00 C ATOM 0 H VAL A 92 11.119 22.811 -27.111 1.00 0.00 H new ATOM 0 HA VAL A 92 9.425 20.668 -26.186 1.00 0.00 H new ATOM 0 HB VAL A 92 11.284 20.835 -28.588 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.839 19.079 -29.521 1.00 0.00 H new ATOM 0 HG12 VAL A 92 10.637 18.554 -28.019 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.922 19.031 -27.996 1.00 0.00 H new ATOM 0 HG21 VAL A 92 9.273 21.446 -29.872 1.00 0.00 H new ATOM 0 HG22 VAL A 92 8.333 21.502 -28.362 1.00 0.00 H new ATOM 0 HG23 VAL A 92 9.659 22.658 -28.628 1.00 0.00 H new ATOM 1379 N GLY A 93 11.078 18.883 -25.504 1.00 0.00 N ATOM 1380 CA GLY A 93 12.033 17.961 -24.928 1.00 0.00 C ATOM 1381 C GLY A 93 12.346 18.268 -23.478 1.00 0.00 C ATOM 1382 O GLY A 93 13.170 17.594 -22.860 1.00 0.00 O ATOM 0 H GLY A 93 10.106 18.579 -25.452 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.642 16.946 -25.003 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.955 17.991 -25.508 1.00 0.00 H new ATOM 1386 N MET A 94 11.703 19.293 -22.927 1.00 0.00 N ATOM 1387 CA MET A 94 11.970 19.677 -21.550 1.00 0.00 C ATOM 1388 C MET A 94 11.113 18.860 -20.612 1.00 0.00 C ATOM 1389 O MET A 94 9.918 18.666 -20.846 1.00 0.00 O ATOM 1390 CB MET A 94 11.711 21.168 -21.305 1.00 0.00 C ATOM 1391 CG MET A 94 12.584 22.108 -22.121 1.00 0.00 C ATOM 1392 SD MET A 94 13.274 23.447 -21.125 1.00 0.00 S ATOM 1393 CE MET A 94 11.796 24.110 -20.357 1.00 0.00 C ATOM 0 H MET A 94 11.005 19.863 -23.405 1.00 0.00 H new ATOM 0 HA MET A 94 13.026 19.485 -21.359 1.00 0.00 H new ATOM 0 HB2 MET A 94 10.665 21.382 -21.526 1.00 0.00 H new ATOM 0 HB3 MET A 94 11.863 21.380 -20.247 1.00 0.00 H new ATOM 0 HG2 MET A 94 13.397 21.541 -22.576 1.00 0.00 H new ATOM 0 HG3 MET A 94 11.995 22.531 -22.935 1.00 0.00 H new ATOM 0 HE1 MET A 94 11.962 25.154 -20.090 1.00 0.00 H new ATOM 0 HE2 MET A 94 10.961 24.042 -21.055 1.00 0.00 H new ATOM 0 HE3 MET A 94 11.565 23.538 -19.458 1.00 0.00 H new ATOM 1403 N ARG A 95 11.738 18.377 -19.561 1.00 0.00 N ATOM 1404 CA ARG A 95 11.059 17.637 -18.529 1.00 0.00 C ATOM 1405 C ARG A 95 11.087 18.412 -17.230 1.00 0.00 C ATOM 1406 O ARG A 95 12.095 19.030 -16.888 1.00 0.00 O ATOM 1407 CB ARG A 95 11.739 16.295 -18.339 1.00 0.00 C ATOM 1408 CG ARG A 95 11.425 15.296 -19.429 1.00 0.00 C ATOM 1409 CD ARG A 95 12.031 13.943 -19.120 1.00 0.00 C ATOM 1410 NE ARG A 95 11.906 13.028 -20.250 1.00 0.00 N ATOM 1411 CZ ARG A 95 11.976 11.705 -20.159 1.00 0.00 C ATOM 1412 NH1 ARG A 95 12.108 11.114 -18.974 1.00 0.00 N ATOM 1413 NH2 ARG A 95 11.887 10.969 -21.259 1.00 0.00 N ATOM 0 H ARG A 95 12.739 18.489 -19.400 1.00 0.00 H new ATOM 0 HA ARG A 95 10.021 17.481 -18.824 1.00 0.00 H new ATOM 0 HB2 ARG A 95 12.818 16.447 -18.297 1.00 0.00 H new ATOM 0 HB3 ARG A 95 11.438 15.878 -17.378 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.345 15.198 -19.536 1.00 0.00 H new ATOM 0 HG3 ARG A 95 11.808 15.661 -20.382 1.00 0.00 H new ATOM 0 HD2 ARG A 95 13.084 14.065 -18.864 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.539 13.514 -18.247 1.00 0.00 H new ATOM 0 HE ARG A 95 11.754 13.433 -21.174 1.00 0.00 H new ATOM 0 HH11 ARG A 95 12.156 11.678 -18.125 1.00 0.00 H new ATOM 0 HH12 ARG A 95 12.161 10.097 -18.914 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.766 11.420 -22.166 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.940 9.952 -21.198 1.00 0.00 H new ATOM 1427 N PHE A 96 9.978 18.385 -16.525 1.00 0.00 N ATOM 1428 CA PHE A 96 9.856 19.092 -15.262 1.00 0.00 C ATOM 1429 C PHE A 96 8.660 18.568 -14.487 1.00 0.00 C ATOM 1430 O PHE A 96 7.860 17.790 -15.017 1.00 0.00 O ATOM 1431 CB PHE A 96 9.721 20.604 -15.501 1.00 0.00 C ATOM 1432 CG PHE A 96 8.608 20.995 -16.438 1.00 0.00 C ATOM 1433 CD1 PHE A 96 7.311 21.145 -15.972 1.00 0.00 C ATOM 1434 CD2 PHE A 96 8.862 21.223 -17.782 1.00 0.00 C ATOM 1435 CE1 PHE A 96 6.291 21.513 -16.826 1.00 0.00 C ATOM 1436 CE2 PHE A 96 7.846 21.590 -18.641 1.00 0.00 C ATOM 1437 CZ PHE A 96 6.559 21.735 -18.164 1.00 0.00 C ATOM 0 H PHE A 96 9.139 17.877 -16.805 1.00 0.00 H new ATOM 0 HA PHE A 96 10.758 18.919 -14.675 1.00 0.00 H new ATOM 0 HB2 PHE A 96 9.561 21.097 -14.542 1.00 0.00 H new ATOM 0 HB3 PHE A 96 10.663 20.981 -15.900 1.00 0.00 H new ATOM 0 HD1 PHE A 96 7.096 20.972 -14.928 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.867 21.112 -18.161 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.285 21.627 -16.450 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.058 21.764 -19.686 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.763 22.021 -18.835 1.00 0.00 H new ATOM 1447 N LEU A 97 8.540 18.981 -13.237 1.00 0.00 N ATOM 1448 CA LEU A 97 7.388 18.620 -12.441 1.00 0.00 C ATOM 1449 C LEU A 97 6.337 19.704 -12.569 1.00 0.00 C ATOM 1450 O LEU A 97 6.613 20.883 -12.343 1.00 0.00 O ATOM 1451 CB LEU A 97 7.756 18.411 -10.969 1.00 0.00 C ATOM 1452 CG LEU A 97 6.621 17.905 -10.094 1.00 0.00 C ATOM 1453 CD1 LEU A 97 6.082 16.597 -10.642 1.00 0.00 C ATOM 1454 CD2 LEU A 97 7.091 17.716 -8.665 1.00 0.00 C ATOM 0 H LEU A 97 9.225 19.564 -12.756 1.00 0.00 H new ATOM 0 HA LEU A 97 6.996 17.674 -12.813 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.583 17.703 -10.913 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.117 19.355 -10.562 1.00 0.00 H new ATOM 0 HG LEU A 97 5.824 18.648 -10.100 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.269 16.244 -10.007 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.710 16.753 -11.655 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.879 15.853 -10.658 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.264 17.353 -8.055 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.904 16.990 -8.642 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.444 18.668 -8.269 1.00 0.00 H new ATOM 1466 N ALA A 98 5.140 19.299 -12.930 1.00 0.00 N ATOM 1467 CA ALA A 98 4.062 20.233 -13.149 1.00 0.00 C ATOM 1468 C ALA A 98 3.014 20.043 -12.086 1.00 0.00 C ATOM 1469 O ALA A 98 2.553 18.936 -11.862 1.00 0.00 O ATOM 1470 CB ALA A 98 3.443 20.037 -14.523 1.00 0.00 C ATOM 0 H ALA A 98 4.889 18.322 -13.079 1.00 0.00 H new ATOM 0 HA ALA A 98 4.462 21.246 -13.097 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.633 20.753 -14.663 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.202 20.193 -15.290 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.049 19.024 -14.603 1.00 0.00 H new ATOM 1476 N GLU A 99 2.643 21.108 -11.422 1.00 0.00 N ATOM 1477 CA GLU A 99 1.604 21.014 -10.427 1.00 0.00 C ATOM 1478 C GLU A 99 0.270 20.920 -11.150 1.00 0.00 C ATOM 1479 O GLU A 99 0.058 21.612 -12.146 1.00 0.00 O ATOM 1480 CB GLU A 99 1.650 22.226 -9.493 1.00 0.00 C ATOM 1481 CG GLU A 99 3.017 22.430 -8.857 1.00 0.00 C ATOM 1482 CD GLU A 99 3.063 23.605 -7.900 1.00 0.00 C ATOM 1483 OE1 GLU A 99 3.369 24.730 -8.348 1.00 0.00 O ATOM 1484 OE2 GLU A 99 2.807 23.406 -6.694 1.00 0.00 O ATOM 0 H GLU A 99 3.039 22.040 -11.549 1.00 0.00 H new ATOM 0 HA GLU A 99 1.745 20.128 -9.808 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.378 23.121 -10.053 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.904 22.102 -8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.300 21.523 -8.322 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.757 22.581 -9.643 1.00 0.00 H new ATOM 1491 N THR A 100 -0.637 20.091 -10.654 1.00 0.00 N ATOM 1492 CA THR A 100 -1.909 19.894 -11.355 1.00 0.00 C ATOM 1493 C THR A 100 -3.034 19.686 -10.346 1.00 0.00 C ATOM 1494 O THR A 100 -2.814 19.787 -9.136 1.00 0.00 O ATOM 1495 CB THR A 100 -1.915 18.708 -12.361 1.00 0.00 C ATOM 1496 OG1 THR A 100 -1.998 17.463 -11.672 1.00 0.00 O ATOM 1497 CG2 THR A 100 -0.683 18.711 -13.257 1.00 0.00 C ATOM 0 H THR A 100 -0.527 19.555 -9.793 1.00 0.00 H new ATOM 0 HA THR A 100 -2.059 20.801 -11.940 1.00 0.00 H new ATOM 0 HB THR A 100 -2.794 18.835 -12.993 1.00 0.00 H new ATOM 0 HG1 THR A 100 -1.645 17.568 -10.764 1.00 0.00 H new ATOM 0 HG21 THR A 100 -0.730 17.865 -13.943 1.00 0.00 H new ATOM 0 HG22 THR A 100 -0.650 19.639 -13.827 1.00 0.00 H new ATOM 0 HG23 THR A 100 0.214 18.630 -12.643 1.00 0.00 H new ATOM 1505 N ASP A 101 -4.232 19.406 -10.841 1.00 0.00 N ATOM 1506 CA ASP A 101 -5.382 19.145 -9.978 1.00 0.00 C ATOM 1507 C ASP A 101 -5.149 17.895 -9.136 1.00 0.00 C ATOM 1508 O ASP A 101 -5.522 17.829 -7.966 1.00 0.00 O ATOM 1509 CB ASP A 101 -6.643 18.960 -10.819 1.00 0.00 C ATOM 1510 CG ASP A 101 -6.957 20.172 -11.673 1.00 0.00 C ATOM 1511 OD1 ASP A 101 -7.480 21.168 -11.133 1.00 0.00 O ATOM 1512 OD2 ASP A 101 -6.673 20.136 -12.890 1.00 0.00 O ATOM 0 H ASP A 101 -4.436 19.353 -11.839 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.510 20.001 -9.316 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.522 18.088 -11.462 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -7.487 18.755 -10.161 1.00 0.00 H new ATOM 1517 N GLN A 102 -4.497 16.921 -9.743 1.00 0.00 N ATOM 1518 CA GLN A 102 -4.269 15.629 -9.112 1.00 0.00 C ATOM 1519 C GLN A 102 -2.902 15.573 -8.448 1.00 0.00 C ATOM 1520 O GLN A 102 -2.320 14.503 -8.278 1.00 0.00 O ATOM 1521 CB GLN A 102 -4.402 14.523 -10.152 1.00 0.00 C ATOM 1522 CG GLN A 102 -3.601 14.783 -11.415 1.00 0.00 C ATOM 1523 CD GLN A 102 -4.095 13.978 -12.594 1.00 0.00 C ATOM 1524 OE1 GLN A 102 -3.669 12.849 -12.822 1.00 0.00 O ATOM 1525 NE2 GLN A 102 -4.996 14.571 -13.354 1.00 0.00 N ATOM 0 H GLN A 102 -4.111 17.000 -10.684 1.00 0.00 H new ATOM 0 HA GLN A 102 -5.019 15.486 -8.334 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.077 13.580 -9.712 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.453 14.406 -10.415 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.649 15.844 -11.659 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.553 14.545 -11.231 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -5.319 15.511 -13.123 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -5.369 14.090 -14.172 1.00 0.00 H new ATOM 1534 N GLY A 103 -2.415 16.730 -8.042 1.00 0.00 N ATOM 1535 CA GLY A 103 -1.087 16.814 -7.479 1.00 0.00 C ATOM 1536 C GLY A 103 -0.060 17.043 -8.555 1.00 0.00 C ATOM 1537 O GLY A 103 -0.412 17.159 -9.723 1.00 0.00 O ATOM 0 H GLY A 103 -2.917 17.617 -8.092 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.046 17.626 -6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -0.857 15.894 -6.941 1.00 0.00 H new ATOM 1541 N PRO A 104 1.214 17.155 -8.198 1.00 0.00 N ATOM 1542 CA PRO A 104 2.289 17.268 -9.179 1.00 0.00 C ATOM 1543 C PRO A 104 2.317 16.095 -10.157 1.00 0.00 C ATOM 1544 O PRO A 104 2.088 14.946 -9.784 1.00 0.00 O ATOM 1545 CB PRO A 104 3.550 17.267 -8.328 1.00 0.00 C ATOM 1546 CG PRO A 104 3.108 17.738 -6.988 1.00 0.00 C ATOM 1547 CD PRO A 104 1.711 17.218 -6.817 1.00 0.00 C ATOM 0 HA PRO A 104 2.173 18.156 -9.800 1.00 0.00 H new ATOM 0 HB2 PRO A 104 3.988 16.270 -8.272 1.00 0.00 H new ATOM 0 HB3 PRO A 104 4.310 17.926 -8.747 1.00 0.00 H new ATOM 0 HG2 PRO A 104 3.765 17.361 -6.204 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.131 18.826 -6.928 1.00 0.00 H new ATOM 0 HD2 PRO A 104 1.700 16.239 -6.338 1.00 0.00 H new ATOM 0 HD3 PRO A 104 1.106 17.881 -6.199 1.00 0.00 H new ATOM 1555 N VAL A 105 2.599 16.419 -11.404 1.00 0.00 N ATOM 1556 CA VAL A 105 2.728 15.438 -12.471 1.00 0.00 C ATOM 1557 C VAL A 105 3.962 15.757 -13.313 1.00 0.00 C ATOM 1558 O VAL A 105 4.053 16.836 -13.901 1.00 0.00 O ATOM 1559 CB VAL A 105 1.485 15.409 -13.388 1.00 0.00 C ATOM 1560 CG1 VAL A 105 1.666 14.401 -14.516 1.00 0.00 C ATOM 1561 CG2 VAL A 105 0.231 15.091 -12.594 1.00 0.00 C ATOM 0 H VAL A 105 2.747 17.380 -11.711 1.00 0.00 H new ATOM 0 HA VAL A 105 2.825 14.458 -12.004 1.00 0.00 H new ATOM 0 HB VAL A 105 1.372 16.401 -13.826 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.778 14.399 -15.148 1.00 0.00 H new ATOM 0 HG12 VAL A 105 2.536 14.675 -15.113 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.814 13.407 -14.095 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.629 15.077 -13.263 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.338 14.115 -12.120 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.082 15.852 -11.828 1.00 0.00 H new ATOM 1571 N PRO A 106 4.947 14.851 -13.349 1.00 0.00 N ATOM 1572 CA PRO A 106 6.154 15.026 -14.154 1.00 0.00 C ATOM 1573 C PRO A 106 5.865 14.820 -15.632 1.00 0.00 C ATOM 1574 O PRO A 106 5.623 13.698 -16.079 1.00 0.00 O ATOM 1575 CB PRO A 106 7.111 13.939 -13.634 1.00 0.00 C ATOM 1576 CG PRO A 106 6.448 13.359 -12.426 1.00 0.00 C ATOM 1577 CD PRO A 106 4.977 13.584 -12.611 1.00 0.00 C ATOM 0 HA PRO A 106 6.566 16.031 -14.067 1.00 0.00 H new ATOM 0 HB2 PRO A 106 7.283 13.174 -14.391 1.00 0.00 H new ATOM 0 HB3 PRO A 106 8.083 14.362 -13.382 1.00 0.00 H new ATOM 0 HG2 PRO A 106 6.671 12.296 -12.332 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.805 13.842 -11.516 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.509 12.775 -13.172 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.453 13.656 -11.658 1.00 0.00 H new ATOM 1585 N VAL A 107 5.889 15.900 -16.395 1.00 0.00 N ATOM 1586 CA VAL A 107 5.519 15.845 -17.800 1.00 0.00 C ATOM 1587 C VAL A 107 6.684 16.247 -18.688 1.00 0.00 C ATOM 1588 O VAL A 107 7.590 16.967 -18.255 1.00 0.00 O ATOM 1589 CB VAL A 107 4.325 16.781 -18.099 1.00 0.00 C ATOM 1590 CG1 VAL A 107 3.036 16.217 -17.519 1.00 0.00 C ATOM 1591 CG2 VAL A 107 4.592 18.176 -17.551 1.00 0.00 C ATOM 0 H VAL A 107 6.161 16.826 -16.065 1.00 0.00 H new ATOM 0 HA VAL A 107 5.236 14.814 -18.014 1.00 0.00 H new ATOM 0 HB VAL A 107 4.209 16.850 -19.181 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.210 16.893 -17.742 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.835 15.241 -17.960 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.138 16.113 -16.439 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.742 18.822 -17.770 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.738 18.121 -16.472 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.488 18.585 -18.018 1.00 0.00 H new ATOM 1601 N GLU A 108 6.673 15.762 -19.920 1.00 0.00 N ATOM 1602 CA GLU A 108 7.662 16.176 -20.893 1.00 0.00 C ATOM 1603 C GLU A 108 6.999 16.922 -22.033 1.00 0.00 C ATOM 1604 O GLU A 108 5.994 16.477 -22.589 1.00 0.00 O ATOM 1605 CB GLU A 108 8.451 14.981 -21.436 1.00 0.00 C ATOM 1606 CG GLU A 108 9.526 15.364 -22.453 1.00 0.00 C ATOM 1607 CD GLU A 108 10.193 14.154 -23.074 1.00 0.00 C ATOM 1608 OE1 GLU A 108 9.585 13.527 -23.969 1.00 0.00 O ATOM 1609 OE2 GLU A 108 11.327 13.823 -22.672 1.00 0.00 O ATOM 0 H GLU A 108 5.992 15.085 -20.265 1.00 0.00 H new ATOM 0 HA GLU A 108 8.363 16.841 -20.389 1.00 0.00 H new ATOM 0 HB2 GLU A 108 8.921 14.459 -20.603 1.00 0.00 H new ATOM 0 HB3 GLU A 108 7.757 14.280 -21.901 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.078 15.972 -23.239 1.00 0.00 H new ATOM 0 HG3 GLU A 108 10.281 15.980 -21.965 1.00 0.00 H new ATOM 1616 N ILE A 109 7.577 18.057 -22.368 1.00 0.00 N ATOM 1617 CA ILE A 109 7.084 18.852 -23.472 1.00 0.00 C ATOM 1618 C ILE A 109 7.541 18.224 -24.777 1.00 0.00 C ATOM 1619 O ILE A 109 8.720 17.950 -24.960 1.00 0.00 O ATOM 1620 CB ILE A 109 7.541 20.324 -23.401 1.00 0.00 C ATOM 1621 CG1 ILE A 109 6.996 20.986 -22.134 1.00 0.00 C ATOM 1622 CG2 ILE A 109 7.080 21.078 -24.639 1.00 0.00 C ATOM 1623 CD1 ILE A 109 7.232 22.481 -22.059 1.00 0.00 C ATOM 0 H ILE A 109 8.389 18.449 -21.891 1.00 0.00 H new ATOM 0 HA ILE A 109 5.996 18.862 -23.414 1.00 0.00 H new ATOM 0 HB ILE A 109 8.630 20.353 -23.365 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.925 20.796 -22.071 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.455 20.514 -21.265 1.00 0.00 H new ATOM 0 HG21 ILE A 109 7.409 22.115 -24.577 1.00 0.00 H new ATOM 0 HG22 ILE A 109 7.508 20.614 -25.528 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.992 21.045 -24.701 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.814 22.869 -21.130 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.303 22.682 -22.087 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.749 22.969 -22.906 1.00 0.00 H new ATOM 1635 N THR A 110 6.606 17.992 -25.674 1.00 0.00 N ATOM 1636 CA THR A 110 6.902 17.339 -26.938 1.00 0.00 C ATOM 1637 C THR A 110 6.663 18.316 -28.085 1.00 0.00 C ATOM 1638 O THR A 110 6.875 17.997 -29.256 1.00 0.00 O ATOM 1639 CB THR A 110 6.020 16.089 -27.124 1.00 0.00 C ATOM 1640 OG1 THR A 110 4.638 16.453 -27.039 1.00 0.00 O ATOM 1641 CG2 THR A 110 6.333 15.041 -26.065 1.00 0.00 C ATOM 0 H THR A 110 5.626 18.247 -25.552 1.00 0.00 H new ATOM 0 HA THR A 110 7.946 17.027 -26.935 1.00 0.00 H new ATOM 0 HB THR A 110 6.230 15.666 -28.106 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.497 17.019 -26.251 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.698 14.169 -26.218 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.379 14.746 -26.143 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.146 15.457 -25.075 1.00 0.00 H new ATOM 1649 N ALA A 111 6.272 19.528 -27.700 1.00 0.00 N ATOM 1650 CA ALA A 111 5.884 20.576 -28.633 1.00 0.00 C ATOM 1651 C ALA A 111 5.421 21.795 -27.885 1.00 0.00 C ATOM 1652 O ALA A 111 4.934 21.704 -26.758 1.00 0.00 O ATOM 1653 CB ALA A 111 4.772 20.113 -29.557 1.00 0.00 C ATOM 0 H ALA A 111 6.216 19.811 -26.722 1.00 0.00 H new ATOM 0 HA ALA A 111 6.761 20.818 -29.233 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.507 20.920 -30.240 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.110 19.249 -30.129 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.899 19.837 -28.966 1.00 0.00 H new ATOM 1659 N VAL A 112 5.564 22.929 -28.526 1.00 0.00 N ATOM 1660 CA VAL A 112 5.131 24.185 -27.984 1.00 0.00 C ATOM 1661 C VAL A 112 4.442 24.929 -29.101 1.00 0.00 C ATOM 1662 O VAL A 112 5.090 25.389 -30.041 1.00 0.00 O ATOM 1663 CB VAL A 112 6.311 25.019 -27.450 1.00 0.00 C ATOM 1664 CG1 VAL A 112 5.814 26.317 -26.825 1.00 0.00 C ATOM 1665 CG2 VAL A 112 7.124 24.208 -26.450 1.00 0.00 C ATOM 0 H VAL A 112 5.990 23.002 -29.450 1.00 0.00 H new ATOM 0 HA VAL A 112 4.463 24.011 -27.141 1.00 0.00 H new ATOM 0 HB VAL A 112 6.960 25.277 -28.287 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.663 26.891 -26.454 1.00 0.00 H new ATOM 0 HG12 VAL A 112 5.281 26.901 -27.575 1.00 0.00 H new ATOM 0 HG13 VAL A 112 5.142 26.089 -25.998 1.00 0.00 H new ATOM 0 HG21 VAL A 112 7.954 24.811 -26.082 1.00 0.00 H new ATOM 0 HG22 VAL A 112 6.488 23.918 -25.614 1.00 0.00 H new ATOM 0 HG23 VAL A 112 7.513 23.314 -26.937 1.00 0.00 H new ATOM 1675 N GLU A 113 3.136 25.025 -29.015 1.00 0.00 N ATOM 1676 CA GLU A 113 2.347 25.582 -30.095 1.00 0.00 C ATOM 1677 C GLU A 113 2.196 27.084 -29.899 1.00 0.00 C ATOM 1678 O GLU A 113 3.006 27.709 -29.211 1.00 0.00 O ATOM 1679 CB GLU A 113 0.980 24.905 -30.149 1.00 0.00 C ATOM 1680 CG GLU A 113 1.087 23.400 -30.283 1.00 0.00 C ATOM 1681 CD GLU A 113 -0.178 22.747 -30.800 1.00 0.00 C ATOM 1682 OE1 GLU A 113 -0.335 22.652 -32.038 1.00 0.00 O ATOM 1683 OE2 GLU A 113 -1.011 22.314 -29.979 1.00 0.00 O ATOM 0 H GLU A 113 2.593 24.724 -28.206 1.00 0.00 H new ATOM 0 HA GLU A 113 2.855 25.403 -31.042 1.00 0.00 H new ATOM 0 HB2 GLU A 113 0.421 25.148 -29.245 1.00 0.00 H new ATOM 0 HB3 GLU A 113 0.413 25.303 -30.991 1.00 0.00 H new ATOM 0 HG2 GLU A 113 1.911 23.161 -30.956 1.00 0.00 H new ATOM 0 HG3 GLU A 113 1.335 22.974 -29.311 1.00 0.00 H new ATOM 1690 N ASP A 114 1.160 27.656 -30.497 1.00 0.00 N ATOM 1691 CA ASP A 114 0.934 29.096 -30.437 1.00 0.00 C ATOM 1692 C ASP A 114 0.828 29.615 -29.001 1.00 0.00 C ATOM 1693 O ASP A 114 1.518 30.568 -28.636 1.00 0.00 O ATOM 1694 CB ASP A 114 -0.323 29.474 -31.216 1.00 0.00 C ATOM 1695 CG ASP A 114 -0.617 30.957 -31.146 1.00 0.00 C ATOM 1696 OD1 ASP A 114 0.147 31.746 -31.741 1.00 0.00 O ATOM 1697 OD2 ASP A 114 -1.617 31.343 -30.499 1.00 0.00 O ATOM 0 H ASP A 114 0.459 27.143 -31.032 1.00 0.00 H new ATOM 0 HA ASP A 114 1.804 29.568 -30.893 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.205 29.178 -32.258 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -1.173 28.918 -30.821 1.00 0.00 H new ATOM 1702 N ASP A 115 -0.017 28.994 -28.179 1.00 0.00 N ATOM 1703 CA ASP A 115 -0.258 29.511 -26.830 1.00 0.00 C ATOM 1704 C ASP A 115 -0.149 28.412 -25.772 1.00 0.00 C ATOM 1705 O ASP A 115 -0.243 28.681 -24.576 1.00 0.00 O ATOM 1706 CB ASP A 115 -1.633 30.165 -26.728 1.00 0.00 C ATOM 1707 CG ASP A 115 -2.755 29.147 -26.624 1.00 0.00 C ATOM 1708 OD1 ASP A 115 -2.844 28.256 -27.497 1.00 0.00 O ATOM 1709 OD2 ASP A 115 -3.561 29.234 -25.675 1.00 0.00 O ATOM 0 H ASP A 115 -0.537 28.149 -28.415 1.00 0.00 H new ATOM 0 HA ASP A 115 0.514 30.257 -26.642 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.657 30.818 -25.856 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -1.798 30.795 -27.602 1.00 0.00 H new ATOM 1714 N HIS A 116 0.010 27.173 -26.209 1.00 0.00 N ATOM 1715 CA HIS A 116 0.068 26.057 -25.275 1.00 0.00 C ATOM 1716 C HIS A 116 1.119 25.054 -25.693 1.00 0.00 C ATOM 1717 O HIS A 116 1.504 25.002 -26.858 1.00 0.00 O ATOM 1718 CB HIS A 116 -1.305 25.382 -25.166 1.00 0.00 C ATOM 1719 CG HIS A 116 -1.836 24.851 -26.464 1.00 0.00 C ATOM 1720 ND1 HIS A 116 -2.588 25.602 -27.340 1.00 0.00 N ATOM 1721 CD2 HIS A 116 -1.710 23.633 -27.034 1.00 0.00 C ATOM 1722 CE1 HIS A 116 -2.900 24.866 -28.390 1.00 0.00 C ATOM 1723 NE2 HIS A 116 -2.377 23.665 -28.230 1.00 0.00 N ATOM 0 H HIS A 116 0.100 26.915 -27.192 1.00 0.00 H new ATOM 0 HA HIS A 116 0.345 26.447 -24.296 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -1.238 24.562 -24.451 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -2.019 26.100 -24.761 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -2.861 26.575 -27.199 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -1.180 22.787 -26.622 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -3.485 25.192 -29.238 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -2.456 22.889 -28.888 1.00 0.00 H new ATOM 1732 N VAL A 117 1.577 24.256 -24.748 1.00 0.00 N ATOM 1733 CA VAL A 117 2.573 23.248 -25.024 1.00 0.00 C ATOM 1734 C VAL A 117 1.925 21.875 -24.978 1.00 0.00 C ATOM 1735 O VAL A 117 0.835 21.708 -24.428 1.00 0.00 O ATOM 1736 CB VAL A 117 3.728 23.295 -24.004 1.00 0.00 C ATOM 1737 CG1 VAL A 117 4.398 24.653 -24.022 1.00 0.00 C ATOM 1738 CG2 VAL A 117 3.228 22.972 -22.608 1.00 0.00 C ATOM 0 H VAL A 117 1.270 24.290 -23.776 1.00 0.00 H new ATOM 0 HA VAL A 117 2.985 23.444 -26.014 1.00 0.00 H new ATOM 0 HB VAL A 117 4.462 22.541 -24.288 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.211 24.667 -23.296 1.00 0.00 H new ATOM 0 HG12 VAL A 117 4.797 24.849 -25.017 1.00 0.00 H new ATOM 0 HG13 VAL A 117 3.669 25.422 -23.766 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.060 23.011 -21.905 1.00 0.00 H new ATOM 0 HG22 VAL A 117 2.471 23.700 -22.315 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.793 21.973 -22.600 1.00 0.00 H new ATOM 1748 N VAL A 118 2.589 20.907 -25.560 1.00 0.00 N ATOM 1749 CA VAL A 118 2.089 19.548 -25.573 1.00 0.00 C ATOM 1750 C VAL A 118 2.952 18.678 -24.680 1.00 0.00 C ATOM 1751 O VAL A 118 4.112 18.420 -24.989 1.00 0.00 O ATOM 1752 CB VAL A 118 2.058 18.959 -26.998 1.00 0.00 C ATOM 1753 CG1 VAL A 118 1.365 17.602 -27.001 1.00 0.00 C ATOM 1754 CG2 VAL A 118 1.376 19.916 -27.959 1.00 0.00 C ATOM 0 H VAL A 118 3.483 21.033 -26.035 1.00 0.00 H new ATOM 0 HA VAL A 118 1.065 19.568 -25.200 1.00 0.00 H new ATOM 0 HB VAL A 118 3.085 18.818 -27.334 1.00 0.00 H new ATOM 0 HG11 VAL A 118 1.353 17.202 -28.015 1.00 0.00 H new ATOM 0 HG12 VAL A 118 1.904 16.917 -26.347 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.342 17.715 -26.643 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.365 19.481 -28.959 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.352 20.095 -27.629 1.00 0.00 H new ATOM 0 HG23 VAL A 118 1.920 20.860 -27.980 1.00 0.00 H new ATOM 1764 N VAL A 119 2.394 18.252 -23.562 1.00 0.00 N ATOM 1765 CA VAL A 119 3.134 17.400 -22.649 1.00 0.00 C ATOM 1766 C VAL A 119 2.545 16.015 -22.561 1.00 0.00 C ATOM 1767 O VAL A 119 1.330 15.835 -22.453 1.00 0.00 O ATOM 1768 CB VAL A 119 3.282 17.990 -21.238 1.00 0.00 C ATOM 1769 CG1 VAL A 119 4.253 19.145 -21.265 1.00 0.00 C ATOM 1770 CG2 VAL A 119 1.948 18.427 -20.669 1.00 0.00 C ATOM 0 H VAL A 119 1.444 18.478 -23.267 1.00 0.00 H new ATOM 0 HA VAL A 119 4.133 17.335 -23.081 1.00 0.00 H new ATOM 0 HB VAL A 119 3.671 17.209 -20.585 1.00 0.00 H new ATOM 0 HG11 VAL A 119 4.354 19.559 -20.262 1.00 0.00 H new ATOM 0 HG12 VAL A 119 5.225 18.795 -21.612 1.00 0.00 H new ATOM 0 HG13 VAL A 119 3.882 19.916 -21.940 1.00 0.00 H new ATOM 0 HG21 VAL A 119 2.096 18.838 -19.670 1.00 0.00 H new ATOM 0 HG22 VAL A 119 1.509 19.188 -21.314 1.00 0.00 H new ATOM 0 HG23 VAL A 119 1.278 17.569 -20.613 1.00 0.00 H new ATOM 1780 N ASP A 120 3.434 15.046 -22.610 1.00 0.00 N ATOM 1781 CA ASP A 120 3.062 13.647 -22.604 1.00 0.00 C ATOM 1782 C ASP A 120 3.966 12.882 -21.654 1.00 0.00 C ATOM 1783 O ASP A 120 5.159 13.175 -21.545 1.00 0.00 O ATOM 1784 CB ASP A 120 3.181 13.072 -24.019 1.00 0.00 C ATOM 1785 CG ASP A 120 2.736 11.624 -24.113 1.00 0.00 C ATOM 1786 OD1 ASP A 120 3.491 10.734 -23.665 1.00 0.00 O ATOM 1787 OD2 ASP A 120 1.641 11.372 -24.656 1.00 0.00 O ATOM 0 H ASP A 120 4.440 15.207 -22.655 1.00 0.00 H new ATOM 0 HA ASP A 120 2.029 13.550 -22.269 1.00 0.00 H new ATOM 0 HB2 ASP A 120 2.582 13.675 -24.701 1.00 0.00 H new ATOM 0 HB3 ASP A 120 4.216 13.150 -24.350 1.00 0.00 H new ATOM 1915 N LEU A 130 5.987 3.111 -10.489 1.00 0.00 N ATOM 1916 CA LEU A 130 5.030 2.926 -9.420 1.00 0.00 C ATOM 1917 C LEU A 130 5.766 2.677 -8.122 1.00 0.00 C ATOM 1918 O LEU A 130 6.843 2.081 -8.114 1.00 0.00 O ATOM 1919 CB LEU A 130 4.092 1.750 -9.706 1.00 0.00 C ATOM 1920 CG LEU A 130 2.935 2.034 -10.663 1.00 0.00 C ATOM 1921 CD1 LEU A 130 2.128 0.767 -10.895 1.00 0.00 C ATOM 1922 CD2 LEU A 130 2.042 3.134 -10.105 1.00 0.00 C ATOM 0 HA LEU A 130 4.428 3.831 -9.344 1.00 0.00 H new ATOM 0 HB2 LEU A 130 4.683 0.931 -10.115 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.678 1.403 -8.759 1.00 0.00 H new ATOM 0 HG LEU A 130 3.344 2.371 -11.616 1.00 0.00 H new ATOM 0 HD11 LEU A 130 1.306 0.979 -11.578 1.00 0.00 H new ATOM 0 HD12 LEU A 130 2.771 0.000 -11.328 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.728 0.411 -9.945 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.223 3.324 -10.798 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.637 2.821 -9.142 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.626 4.045 -9.974 1.00 0.00 H new ATOM 1934 N LYS A 131 5.183 3.123 -7.033 1.00 0.00 N ATOM 1935 CA LYS A 131 5.740 2.905 -5.723 1.00 0.00 C ATOM 1936 C LYS A 131 4.791 2.047 -4.920 1.00 0.00 C ATOM 1937 O LYS A 131 3.589 2.299 -4.875 1.00 0.00 O ATOM 1938 CB LYS A 131 5.989 4.226 -5.001 1.00 0.00 C ATOM 1939 CG LYS A 131 7.322 4.865 -5.337 1.00 0.00 C ATOM 1940 CD LYS A 131 7.363 6.325 -4.906 1.00 0.00 C ATOM 1941 CE LYS A 131 6.913 6.507 -3.462 1.00 0.00 C ATOM 1942 NZ LYS A 131 7.763 5.754 -2.502 1.00 0.00 N ATOM 0 H LYS A 131 4.308 3.648 -7.033 1.00 0.00 H new ATOM 0 HA LYS A 131 6.700 2.399 -5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 131 5.189 4.923 -5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 131 5.939 4.057 -3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.125 4.316 -4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 131 7.500 4.796 -6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 131 8.377 6.708 -5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 131 6.723 6.915 -5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 131 6.936 7.567 -3.209 1.00 0.00 H new ATOM 0 HE3 LYS A 131 5.879 6.177 -3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 7.459 5.964 -1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 7.669 4.734 -2.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 8.757 6.037 -2.622 1.00 0.00 H new ATOM 1956 N PHE A 132 5.330 1.031 -4.305 1.00 0.00 N ATOM 1957 CA PHE A 132 4.533 0.129 -3.507 1.00 0.00 C ATOM 1958 C PHE A 132 4.993 0.199 -2.071 1.00 0.00 C ATOM 1959 O PHE A 132 6.192 0.240 -1.807 1.00 0.00 O ATOM 1960 CB PHE A 132 4.676 -1.307 -4.013 1.00 0.00 C ATOM 1961 CG PHE A 132 4.537 -1.438 -5.500 1.00 0.00 C ATOM 1962 CD1 PHE A 132 3.289 -1.534 -6.091 1.00 0.00 C ATOM 1963 CD2 PHE A 132 5.660 -1.455 -6.308 1.00 0.00 C ATOM 1964 CE1 PHE A 132 3.168 -1.646 -7.462 1.00 0.00 C ATOM 1965 CE2 PHE A 132 5.544 -1.566 -7.677 1.00 0.00 C ATOM 1966 CZ PHE A 132 4.297 -1.661 -8.256 1.00 0.00 C ATOM 0 H PHE A 132 6.324 0.803 -4.339 1.00 0.00 H new ATOM 0 HA PHE A 132 3.486 0.424 -3.582 1.00 0.00 H new ATOM 0 HB2 PHE A 132 5.650 -1.694 -3.712 1.00 0.00 H new ATOM 0 HB3 PHE A 132 3.923 -1.930 -3.530 1.00 0.00 H new ATOM 0 HD1 PHE A 132 2.402 -1.521 -5.475 1.00 0.00 H new ATOM 0 HD2 PHE A 132 6.640 -1.380 -5.860 1.00 0.00 H new ATOM 0 HE1 PHE A 132 2.190 -1.722 -7.913 1.00 0.00 H new ATOM 0 HE2 PHE A 132 6.429 -1.579 -8.295 1.00 0.00 H new ATOM 0 HZ PHE A 132 4.203 -1.747 -9.328 1.00 0.00 H new ATOM 1976 N ASN A 133 4.063 0.221 -1.140 1.00 0.00 N ATOM 1977 CA ASN A 133 4.412 0.098 0.254 1.00 0.00 C ATOM 1978 C ASN A 133 4.036 -1.306 0.665 1.00 0.00 C ATOM 1979 O ASN A 133 2.851 -1.619 0.771 1.00 0.00 O ATOM 1980 CB ASN A 133 3.640 1.115 1.104 1.00 0.00 C ATOM 1981 CG ASN A 133 3.852 2.545 0.651 1.00 0.00 C ATOM 1982 OD1 ASN A 133 3.143 3.047 -0.222 1.00 0.00 O ATOM 1983 ND2 ASN A 133 4.808 3.222 1.259 1.00 0.00 N ATOM 0 H ASN A 133 3.065 0.323 -1.324 1.00 0.00 H new ATOM 0 HA ASN A 133 5.474 0.292 0.404 1.00 0.00 H new ATOM 0 HB2 ASN A 133 2.576 0.881 1.064 1.00 0.00 H new ATOM 0 HB3 ASN A 133 3.949 1.020 2.145 1.00 0.00 H new ATOM 0 HD21 ASN A 133 4.980 4.196 1.010 1.00 0.00 H new ATOM 0 HD22 ASN A 133 5.374 2.771 1.977 1.00 0.00 H new ATOM 1990 N VAL A 134 5.017 -2.167 0.855 1.00 0.00 N ATOM 1991 CA VAL A 134 4.715 -3.563 1.098 1.00 0.00 C ATOM 1992 C VAL A 134 4.861 -3.916 2.562 1.00 0.00 C ATOM 1993 O VAL A 134 5.809 -3.504 3.233 1.00 0.00 O ATOM 1994 CB VAL A 134 5.590 -4.521 0.272 1.00 0.00 C ATOM 1995 CG1 VAL A 134 5.014 -5.926 0.327 1.00 0.00 C ATOM 1996 CG2 VAL A 134 5.723 -4.053 -1.172 1.00 0.00 C ATOM 0 H VAL A 134 6.009 -1.931 0.846 1.00 0.00 H new ATOM 0 HA VAL A 134 3.678 -3.690 0.786 1.00 0.00 H new ATOM 0 HB VAL A 134 6.590 -4.527 0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 134 5.639 -6.599 -0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 134 4.986 -6.267 1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 134 4.003 -5.921 -0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 134 6.348 -4.754 -1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 134 4.736 -4.006 -1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 134 6.181 -3.064 -1.193 1.00 0.00 H new ATOM 2006 N GLU A 135 3.917 -4.708 3.024 1.00 0.00 N ATOM 2007 CA GLU A 135 3.851 -5.145 4.398 1.00 0.00 C ATOM 2008 C GLU A 135 3.491 -6.631 4.419 1.00 0.00 C ATOM 2009 O GLU A 135 2.324 -7.009 4.360 1.00 0.00 O ATOM 2010 CB GLU A 135 2.825 -4.294 5.160 1.00 0.00 C ATOM 2011 CG GLU A 135 3.217 -2.822 5.216 1.00 0.00 C ATOM 2012 CD GLU A 135 2.657 -2.073 6.409 1.00 0.00 C ATOM 2013 OE1 GLU A 135 3.170 -2.268 7.534 1.00 0.00 O ATOM 2014 OE2 GLU A 135 1.737 -1.249 6.228 1.00 0.00 O ATOM 0 H GLU A 135 3.161 -5.071 2.443 1.00 0.00 H new ATOM 0 HA GLU A 135 4.813 -5.016 4.894 1.00 0.00 H new ATOM 0 HB2 GLU A 135 1.851 -4.390 4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 135 2.721 -4.678 6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 135 4.304 -2.748 5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 135 2.878 -2.333 4.303 1.00 0.00 H new ATOM 2021 N VAL A 136 4.518 -7.467 4.473 1.00 0.00 N ATOM 2022 CA VAL A 136 4.362 -8.910 4.302 1.00 0.00 C ATOM 2023 C VAL A 136 3.807 -9.581 5.560 1.00 0.00 C ATOM 2024 O VAL A 136 4.429 -9.572 6.624 1.00 0.00 O ATOM 2025 CB VAL A 136 5.700 -9.568 3.894 1.00 0.00 C ATOM 2026 CG1 VAL A 136 6.809 -9.165 4.842 1.00 0.00 C ATOM 2027 CG2 VAL A 136 5.569 -11.083 3.822 1.00 0.00 C ATOM 0 H VAL A 136 5.480 -7.169 4.636 1.00 0.00 H new ATOM 0 HA VAL A 136 3.638 -9.056 3.500 1.00 0.00 H new ATOM 0 HB VAL A 136 5.959 -9.210 2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 136 7.741 -9.640 4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 136 6.930 -8.082 4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 136 6.556 -9.482 5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 136 6.526 -11.518 3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 136 5.275 -11.470 4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 136 4.812 -11.348 3.084 1.00 0.00 H new ATOM 2037 N VAL A 137 2.625 -10.157 5.412 1.00 0.00 N ATOM 2038 CA VAL A 137 1.921 -10.794 6.507 1.00 0.00 C ATOM 2039 C VAL A 137 2.518 -12.149 6.856 1.00 0.00 C ATOM 2040 O VAL A 137 2.732 -12.449 8.031 1.00 0.00 O ATOM 2041 CB VAL A 137 0.430 -10.984 6.170 1.00 0.00 C ATOM 2042 CG1 VAL A 137 -0.367 -11.375 7.405 1.00 0.00 C ATOM 2043 CG2 VAL A 137 -0.132 -9.726 5.528 1.00 0.00 C ATOM 0 H VAL A 137 2.126 -10.195 4.523 1.00 0.00 H new ATOM 0 HA VAL A 137 2.025 -10.131 7.366 1.00 0.00 H new ATOM 0 HB VAL A 137 0.343 -11.801 5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -1.416 -11.502 7.136 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.021 -12.311 7.807 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -0.278 -10.592 8.158 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -1.186 -9.876 5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -0.028 -8.888 6.217 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.415 -9.511 4.610 1.00 0.00 H new ATOM 2053 N ALA A 138 2.807 -12.967 5.852 1.00 0.00 N ATOM 2054 CA ALA A 138 3.195 -14.343 6.104 1.00 0.00 C ATOM 2055 C ALA A 138 3.878 -14.956 4.889 1.00 0.00 C ATOM 2056 O ALA A 138 3.636 -14.548 3.754 1.00 0.00 O ATOM 2057 CB ALA A 138 1.975 -15.166 6.477 1.00 0.00 C ATOM 0 H ALA A 138 2.780 -12.703 4.867 1.00 0.00 H new ATOM 0 HA ALA A 138 3.904 -14.347 6.931 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.275 -16.197 6.664 1.00 0.00 H new ATOM 0 HB2 ALA A 138 1.518 -14.752 7.376 1.00 0.00 H new ATOM 0 HB3 ALA A 138 1.255 -15.141 5.659 1.00 0.00 H new ATOM 2063 N ILE A 139 4.735 -15.930 5.149 1.00 0.00 N ATOM 2064 CA ILE A 139 5.397 -16.705 4.111 1.00 0.00 C ATOM 2065 C ILE A 139 5.366 -18.165 4.525 1.00 0.00 C ATOM 2066 O ILE A 139 5.668 -18.480 5.678 1.00 0.00 O ATOM 2067 CB ILE A 139 6.869 -16.278 3.921 1.00 0.00 C ATOM 2068 CG1 ILE A 139 6.969 -14.803 3.541 1.00 0.00 C ATOM 2069 CG2 ILE A 139 7.552 -17.136 2.866 1.00 0.00 C ATOM 2070 CD1 ILE A 139 8.383 -14.284 3.592 1.00 0.00 C ATOM 0 H ILE A 139 4.993 -16.208 6.096 1.00 0.00 H new ATOM 0 HA ILE A 139 4.876 -16.538 3.168 1.00 0.00 H new ATOM 0 HB ILE A 139 7.379 -16.424 4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 139 6.571 -14.663 2.536 1.00 0.00 H new ATOM 0 HG13 ILE A 139 6.346 -14.215 4.215 1.00 0.00 H new ATOM 0 HG21 ILE A 139 8.587 -16.815 2.751 1.00 0.00 H new ATOM 0 HG22 ILE A 139 7.528 -18.181 3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 139 7.031 -17.027 1.915 1.00 0.00 H new ATOM 0 HD11 ILE A 139 8.394 -13.231 3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 139 8.775 -14.395 4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 139 9.004 -14.850 2.898 1.00 0.00 H new ATOM 2082 N ARG A 140 4.994 -19.051 3.620 1.00 0.00 N ATOM 2083 CA ARG A 140 4.898 -20.456 3.963 1.00 0.00 C ATOM 2084 C ARG A 140 5.165 -21.328 2.747 1.00 0.00 C ATOM 2085 O ARG A 140 4.738 -21.012 1.642 1.00 0.00 O ATOM 2086 CB ARG A 140 3.511 -20.755 4.528 1.00 0.00 C ATOM 2087 CG ARG A 140 3.404 -22.111 5.199 1.00 0.00 C ATOM 2088 CD ARG A 140 2.035 -22.304 5.822 1.00 0.00 C ATOM 2089 NE ARG A 140 1.676 -21.194 6.703 1.00 0.00 N ATOM 2090 CZ ARG A 140 0.874 -21.310 7.758 1.00 0.00 C ATOM 2091 NH1 ARG A 140 0.451 -22.508 8.147 1.00 0.00 N ATOM 2092 NH2 ARG A 140 0.530 -20.232 8.449 1.00 0.00 N ATOM 0 H ARG A 140 4.756 -18.826 2.654 1.00 0.00 H new ATOM 0 HA ARG A 140 5.652 -20.682 4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 140 3.248 -19.981 5.249 1.00 0.00 H new ATOM 0 HB3 ARG A 140 2.780 -20.700 3.721 1.00 0.00 H new ATOM 0 HG2 ARG A 140 3.589 -22.898 4.468 1.00 0.00 H new ATOM 0 HG3 ARG A 140 4.173 -22.202 5.966 1.00 0.00 H new ATOM 0 HD2 ARG A 140 1.288 -22.399 5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 140 2.022 -23.236 6.388 1.00 0.00 H new ATOM 0 HE ARG A 140 2.064 -20.274 6.496 1.00 0.00 H new ATOM 0 HH11 ARG A 140 0.741 -23.342 7.636 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -0.164 -22.594 8.956 1.00 0.00 H new ATOM 0 HH21 ARG A 140 0.880 -19.315 8.171 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -0.085 -20.320 9.258 1.00 0.00 H new ATOM 2106 N GLU A 141 5.885 -22.415 2.951 1.00 0.00 N ATOM 2107 CA GLU A 141 6.113 -23.370 1.888 1.00 0.00 C ATOM 2108 C GLU A 141 4.838 -24.158 1.618 1.00 0.00 C ATOM 2109 O GLU A 141 4.241 -24.734 2.528 1.00 0.00 O ATOM 2110 CB GLU A 141 7.277 -24.299 2.242 1.00 0.00 C ATOM 2111 CG GLU A 141 7.126 -25.004 3.579 1.00 0.00 C ATOM 2112 CD GLU A 141 8.299 -25.905 3.888 1.00 0.00 C ATOM 2113 OE1 GLU A 141 9.312 -25.409 4.418 1.00 0.00 O ATOM 2114 OE2 GLU A 141 8.217 -27.118 3.599 1.00 0.00 O ATOM 0 H GLU A 141 6.320 -22.657 3.841 1.00 0.00 H new ATOM 0 HA GLU A 141 6.383 -22.834 0.978 1.00 0.00 H new ATOM 0 HB2 GLU A 141 7.380 -25.049 1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 141 8.200 -23.719 2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 141 7.024 -24.261 4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 141 6.209 -25.593 3.575 1.00 0.00 H new ATOM 2121 N ALA A 142 4.412 -24.156 0.364 1.00 0.00 N ATOM 2122 CA ALA A 142 3.164 -24.796 -0.016 1.00 0.00 C ATOM 2123 C ALA A 142 3.299 -26.313 0.008 1.00 0.00 C ATOM 2124 O ALA A 142 4.410 -26.849 0.008 1.00 0.00 O ATOM 2125 CB ALA A 142 2.727 -24.320 -1.388 1.00 0.00 C ATOM 0 H ALA A 142 4.914 -23.717 -0.408 1.00 0.00 H new ATOM 0 HA ALA A 142 2.401 -24.516 0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 142 1.791 -24.807 -1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 142 2.582 -23.240 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 142 3.494 -24.571 -2.121 1.00 0.00 H new ATOM 2131 N THR A 143 2.164 -26.993 -0.016 1.00 0.00 N ATOM 2132 CA THR A 143 2.124 -28.438 0.181 1.00 0.00 C ATOM 2133 C THR A 143 2.082 -29.157 -1.156 1.00 0.00 C ATOM 2134 O THR A 143 1.618 -30.297 -1.252 1.00 0.00 O ATOM 2135 CB THR A 143 0.892 -28.841 1.020 1.00 0.00 C ATOM 2136 OG1 THR A 143 -0.307 -28.671 0.250 1.00 0.00 O ATOM 2137 CG2 THR A 143 0.801 -27.978 2.264 1.00 0.00 C ATOM 0 H THR A 143 1.251 -26.566 -0.171 1.00 0.00 H new ATOM 0 HA THR A 143 3.028 -28.728 0.716 1.00 0.00 H new ATOM 0 HB THR A 143 1.000 -29.887 1.307 1.00 0.00 H new ATOM 0 HG1 THR A 143 -0.256 -27.832 -0.253 1.00 0.00 H new ATOM 0 HG21 THR A 143 -0.072 -28.272 2.847 1.00 0.00 H new ATOM 0 HG22 THR A 143 1.701 -28.110 2.865 1.00 0.00 H new ATOM 0 HG23 THR A 143 0.709 -26.931 1.975 1.00 0.00 H new ATOM 2145 N GLU A 144 2.563 -28.462 -2.190 1.00 0.00 N ATOM 2146 CA GLU A 144 2.547 -28.951 -3.568 1.00 0.00 C ATOM 2147 C GLU A 144 1.140 -28.920 -4.160 1.00 0.00 C ATOM 2148 O GLU A 144 0.979 -28.719 -5.353 1.00 0.00 O ATOM 2149 CB GLU A 144 3.138 -30.354 -3.672 1.00 0.00 C ATOM 2150 CG GLU A 144 4.580 -30.436 -3.208 1.00 0.00 C ATOM 2151 CD GLU A 144 5.189 -31.791 -3.479 1.00 0.00 C ATOM 2152 OE1 GLU A 144 4.973 -32.716 -2.669 1.00 0.00 O ATOM 2153 OE2 GLU A 144 5.870 -31.941 -4.513 1.00 0.00 O ATOM 0 H GLU A 144 2.978 -27.535 -2.092 1.00 0.00 H new ATOM 0 HA GLU A 144 3.173 -28.275 -4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 144 2.534 -31.040 -3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 144 3.077 -30.690 -4.707 1.00 0.00 H new ATOM 0 HG2 GLU A 144 5.167 -29.668 -3.712 1.00 0.00 H new ATOM 0 HG3 GLU A 144 4.629 -30.224 -2.140 1.00 0.00 H new ATOM 2160 N GLU A 145 0.129 -29.110 -3.325 1.00 0.00 N ATOM 2161 CA GLU A 145 -1.261 -29.004 -3.761 1.00 0.00 C ATOM 2162 C GLU A 145 -1.590 -27.588 -4.193 1.00 0.00 C ATOM 2163 O GLU A 145 -2.193 -27.373 -5.245 1.00 0.00 O ATOM 2164 CB GLU A 145 -2.193 -29.430 -2.643 1.00 0.00 C ATOM 2165 CG GLU A 145 -2.172 -30.915 -2.408 1.00 0.00 C ATOM 2166 CD GLU A 145 -2.971 -31.667 -3.444 1.00 0.00 C ATOM 2167 OE1 GLU A 145 -4.216 -31.672 -3.347 1.00 0.00 O ATOM 2168 OE2 GLU A 145 -2.364 -32.256 -4.362 1.00 0.00 O ATOM 0 H GLU A 145 0.243 -29.339 -2.338 1.00 0.00 H new ATOM 0 HA GLU A 145 -1.398 -29.665 -4.617 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -1.911 -28.916 -1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -3.209 -29.118 -2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -1.141 -31.269 -2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -2.571 -31.130 -1.417 1.00 0.00 H new ATOM 2175 N GLU A 146 -1.188 -26.628 -3.374 1.00 0.00 N ATOM 2176 CA GLU A 146 -1.347 -25.221 -3.714 1.00 0.00 C ATOM 2177 C GLU A 146 -0.698 -24.943 -5.066 1.00 0.00 C ATOM 2178 O GLU A 146 -1.221 -24.188 -5.884 1.00 0.00 O ATOM 2179 CB GLU A 146 -0.716 -24.326 -2.637 1.00 0.00 C ATOM 2180 CG GLU A 146 -1.474 -24.291 -1.317 1.00 0.00 C ATOM 2181 CD GLU A 146 -1.347 -25.577 -0.529 1.00 0.00 C ATOM 2182 OE1 GLU A 146 -0.348 -26.301 -0.728 1.00 0.00 O ATOM 2183 OE2 GLU A 146 -2.236 -25.866 0.298 1.00 0.00 O ATOM 0 H GLU A 146 -0.749 -26.797 -2.469 1.00 0.00 H new ATOM 0 HA GLU A 146 -2.412 -24.994 -3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 146 0.301 -24.670 -2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -0.642 -23.310 -3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -1.103 -23.463 -0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -2.528 -24.095 -1.514 1.00 0.00 H new ATOM 2190 N LEU A 147 0.427 -25.603 -5.298 1.00 0.00 N ATOM 2191 CA LEU A 147 1.190 -25.442 -6.530 1.00 0.00 C ATOM 2192 C LEU A 147 0.496 -26.147 -7.686 1.00 0.00 C ATOM 2193 O LEU A 147 0.327 -25.584 -8.766 1.00 0.00 O ATOM 2194 CB LEU A 147 2.581 -26.031 -6.333 1.00 0.00 C ATOM 2195 CG LEU A 147 3.202 -25.742 -4.968 1.00 0.00 C ATOM 2196 CD1 LEU A 147 4.567 -26.391 -4.852 1.00 0.00 C ATOM 2197 CD2 LEU A 147 3.293 -24.244 -4.733 1.00 0.00 C ATOM 0 H LEU A 147 0.838 -26.265 -4.639 1.00 0.00 H new ATOM 0 HA LEU A 147 1.263 -24.381 -6.767 1.00 0.00 H new ATOM 0 HB2 LEU A 147 2.528 -27.111 -6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 147 3.240 -25.641 -7.108 1.00 0.00 H new ATOM 0 HG LEU A 147 2.559 -26.170 -4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 147 4.992 -26.173 -3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 147 4.468 -27.470 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 147 5.224 -25.998 -5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 147 3.738 -24.055 -3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 147 3.912 -23.791 -5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 147 2.294 -23.809 -4.767 1.00 0.00 H new ATOM 2209 N ALA A 148 0.097 -27.385 -7.425 1.00 0.00 N ATOM 2210 CA ALA A 148 -0.571 -28.236 -8.401 1.00 0.00 C ATOM 2211 C ALA A 148 -1.821 -27.572 -8.965 1.00 0.00 C ATOM 2212 O ALA A 148 -2.176 -27.782 -10.123 1.00 0.00 O ATOM 2213 CB ALA A 148 -0.932 -29.572 -7.756 1.00 0.00 C ATOM 0 H ALA A 148 0.230 -27.832 -6.518 1.00 0.00 H new ATOM 0 HA ALA A 148 0.116 -28.402 -9.230 1.00 0.00 H new ATOM 0 HB1 ALA A 148 -1.431 -30.206 -8.488 1.00 0.00 H new ATOM 0 HB2 ALA A 148 -0.024 -30.065 -7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 148 -1.598 -29.400 -6.911 1.00 0.00 H new ATOM 2219 N HIS A 149 -2.486 -26.774 -8.142 1.00 0.00 N ATOM 2220 CA HIS A 149 -3.717 -26.130 -8.556 1.00 0.00 C ATOM 2221 C HIS A 149 -3.443 -24.694 -8.987 1.00 0.00 C ATOM 2222 O HIS A 149 -4.176 -24.130 -9.794 1.00 0.00 O ATOM 2223 CB HIS A 149 -4.754 -26.168 -7.426 1.00 0.00 C ATOM 2224 CG HIS A 149 -4.945 -27.540 -6.842 1.00 0.00 C ATOM 2225 ND1 HIS A 149 -4.993 -27.782 -5.485 1.00 0.00 N ATOM 2226 CD2 HIS A 149 -5.060 -28.749 -7.439 1.00 0.00 C ATOM 2227 CE1 HIS A 149 -5.119 -29.080 -5.276 1.00 0.00 C ATOM 2228 NE2 HIS A 149 -5.162 -29.689 -6.445 1.00 0.00 N ATOM 0 H HIS A 149 -2.193 -26.560 -7.189 1.00 0.00 H new ATOM 0 HA HIS A 149 -4.124 -26.675 -9.408 1.00 0.00 H new ATOM 0 HB2 HIS A 149 -4.446 -25.484 -6.636 1.00 0.00 H new ATOM 0 HB3 HIS A 149 -5.709 -25.806 -7.806 1.00 0.00 H new ATOM 0 HD2 HIS A 149 -5.070 -28.939 -8.502 1.00 0.00 H new ATOM 0 HE1 HIS A 149 -5.177 -29.561 -4.311 1.00 0.00 H new ATOM 0 HE2 HIS A 149 -5.256 -30.695 -6.587 1.00 0.00 H new ATOM 2237 N GLY A 150 -2.369 -24.117 -8.448 1.00 0.00 N ATOM 2238 CA GLY A 150 -1.967 -22.772 -8.819 1.00 0.00 C ATOM 2239 C GLY A 150 -2.674 -21.707 -8.005 1.00 0.00 C ATOM 2240 O GLY A 150 -2.891 -20.596 -8.481 1.00 0.00 O ATOM 0 H GLY A 150 -1.767 -24.563 -7.756 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -0.890 -22.669 -8.687 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -2.175 -22.613 -9.877 1.00 0.00 H new ATOM 2244 N HIS A 151 -3.032 -22.041 -6.771 1.00 0.00 N ATOM 2245 CA HIS A 151 -3.812 -21.137 -5.928 1.00 0.00 C ATOM 2246 C HIS A 151 -3.339 -21.213 -4.486 1.00 0.00 C ATOM 2247 O HIS A 151 -2.638 -22.148 -4.107 1.00 0.00 O ATOM 2248 CB HIS A 151 -5.310 -21.482 -5.981 1.00 0.00 C ATOM 2249 CG HIS A 151 -5.933 -21.346 -7.338 1.00 0.00 C ATOM 2250 ND1 HIS A 151 -5.917 -22.176 -8.405 1.00 0.00 N flip ATOM 2251 CD2 HIS A 151 -6.683 -20.257 -7.716 1.00 0.00 C flip ATOM 2252 CE1 HIS A 151 -6.648 -21.579 -9.401 1.00 0.00 C flip ATOM 2253 NE2 HIS A 151 -7.100 -20.421 -8.957 1.00 0.00 N flip ATOM 0 H HIS A 151 -2.796 -22.930 -6.330 1.00 0.00 H new ATOM 0 HA HIS A 151 -3.666 -20.127 -6.310 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -5.446 -22.506 -5.634 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -5.843 -20.836 -5.284 1.00 0.00 H new ATOM 0 HD1 HIS A 151 -5.448 -23.080 -8.460 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -6.897 -19.401 -7.094 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -6.824 -21.988 -10.385 1.00 0.00 H new