USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 970 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 71 THR OG1 : rot 162:sc= -2.45! USER MOD Set 1.2: A 73 HIS : no HD1:sc= -10! C(o=-41!,f=-41!) USER MOD Set 1.3: A 75 HIS : no HE2:sc= -28.7! C(o=-41!,f=-50!) USER MOD Set 2.1: A 60 ASN : amide:sc= -6.67! C(o=-14!,f=-14!) USER MOD Set 2.2: A 65 ASN : amide:sc= -6.85! C(o=-14!,f=-14!) USER MOD Set 3.1: A 57 SER OG : rot -89:sc= -3.21! USER MOD Set 3.2: A 59 HIS : no HE2:sc= -5.56! C(o=-8.8!,f=-15!) USER MOD Set 4.1: A 50 LYS NZ :NH3+ -96:sc= -0.677 (180deg=-1.37!) USER MOD Set 4.2: A 83 TYR OH : rot -111:sc= -2.54! USER MOD Set 5.1: A 35 THR OG1 : rot -70:sc= -4.98! USER MOD Set 5.2: A 36 THR OG1 : rot -178:sc= -1.91! USER MOD Set 5.3: A 39 LYS NZ :NH3+ -160:sc= -2.01! (180deg=-3.05!) USER MOD Set 5.4: A 91 SER OG : rot 150:sc= -0.0718 USER MOD Set 6.1: A 34 TYR OH : rot 130:sc= -2.54 USER MOD Set 6.2: A 64 HIS :FLIP no HE2:sc= -14! C(o=-17!,f=-17!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0494 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0181 USER MOD Single : A 19 SER OG : rot -70:sc= -2.73! USER MOD Single : A 20 HIS :FLIP no HD1:sc= -2.53 F(o=-3.2!,f=-2.5) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 27 THR OG1 : rot 37:sc= 0.702 USER MOD Single : A 30 CYS SG : rot 20:sc= -6.88! USER MOD Single : A 37 LYS NZ :NH3+ 150:sc= -0.385 (180deg=-1.59!) USER MOD Single : A 44 TYR OH : rot 112:sc= -1.18 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= -0.0239 (180deg=-0.526) USER MOD Single : A 48 MET CE :methyl -117:sc= -0.539 (180deg=-3.88!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= -0.511 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.35 USER MOD Single : A 61 SER OG : rot 170:sc= -0.134 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= -0.16 USER MOD Single : A 81 ASN : amide:sc= -0.259 X(o=-0.26,f=0) USER MOD Single : A 82 ASN : amide:sc= -4.55! C(o=-4.6!,f=-6!) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.452 F(o=-1.5,f=-0.45) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot 17:sc= -3.03! USER MOD Single : A 89 THR OG1 : rot 2:sc= 1.92 USER MOD Single : A 95 CYS SG : rot 180:sc= -1.38 USER MOD Single : A 96 LYS NZ :NH3+ -127:sc= -0.294 (180deg=-3.09!) USER MOD Single : A 99 ASN : amide:sc= -0.0617 X(o=-0.062,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -128:sc= -0.595 (180deg=-4.84!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -53:sc= 0.627 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP A 6 109.656 -5.564 18.440 1.00 0.00 N ATOM 75 CA ASP A 6 108.664 -5.497 17.330 1.00 0.00 C ATOM 76 C ASP A 6 108.521 -4.042 16.865 1.00 0.00 C ATOM 77 O ASP A 6 108.070 -3.201 17.616 1.00 0.00 O ATOM 78 CB ASP A 6 107.310 -6.003 17.833 1.00 0.00 C ATOM 79 CG ASP A 6 106.315 -6.038 16.672 1.00 0.00 C ATOM 80 OD1 ASP A 6 106.754 -6.201 15.545 1.00 0.00 O ATOM 81 OD2 ASP A 6 105.129 -5.902 16.929 1.00 0.00 O ATOM 0 HA ASP A 6 109.001 -6.115 16.498 1.00 0.00 H new ATOM 0 HB2 ASP A 6 107.419 -6.999 18.263 1.00 0.00 H new ATOM 0 HB3 ASP A 6 106.938 -5.353 18.625 1.00 0.00 H new ATOM 86 N PRO A 7 108.908 -3.783 15.638 1.00 0.00 N ATOM 87 CA PRO A 7 108.829 -2.432 15.056 1.00 0.00 C ATOM 88 C PRO A 7 107.392 -2.117 14.635 1.00 0.00 C ATOM 89 O PRO A 7 106.774 -2.858 13.898 1.00 0.00 O ATOM 90 CB PRO A 7 109.751 -2.510 13.837 1.00 0.00 C ATOM 91 CG PRO A 7 109.855 -4.007 13.463 1.00 0.00 C ATOM 92 CD PRO A 7 109.456 -4.803 14.720 1.00 0.00 C ATOM 0 HA PRO A 7 109.121 -1.647 15.753 1.00 0.00 H new ATOM 0 HB2 PRO A 7 109.348 -1.930 13.007 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.734 -2.098 14.066 1.00 0.00 H new ATOM 0 HG2 PRO A 7 109.195 -4.245 12.628 1.00 0.00 H new ATOM 0 HG3 PRO A 7 110.868 -4.259 13.150 1.00 0.00 H new ATOM 0 HD2 PRO A 7 108.716 -5.568 14.488 1.00 0.00 H new ATOM 0 HD3 PRO A 7 110.315 -5.312 15.158 1.00 0.00 H new ATOM 100 N LYS A 8 106.855 -1.023 15.101 1.00 0.00 N ATOM 101 CA LYS A 8 105.459 -0.663 14.732 1.00 0.00 C ATOM 102 C LYS A 8 105.474 0.519 13.759 1.00 0.00 C ATOM 103 O LYS A 8 104.440 1.023 13.368 1.00 0.00 O ATOM 104 CB LYS A 8 104.682 -0.276 15.991 1.00 0.00 C ATOM 105 CG LYS A 8 103.405 -1.111 16.082 1.00 0.00 C ATOM 106 CD LYS A 8 102.209 -0.190 16.330 1.00 0.00 C ATOM 107 CE LYS A 8 101.943 -0.091 17.833 1.00 0.00 C ATOM 108 NZ LYS A 8 102.220 1.297 18.296 1.00 0.00 N ATOM 0 H LYS A 8 107.324 -0.363 15.722 1.00 0.00 H new ATOM 0 HA LYS A 8 104.979 -1.518 14.256 1.00 0.00 H new ATOM 0 HB2 LYS A 8 105.298 -0.438 16.875 1.00 0.00 H new ATOM 0 HB3 LYS A 8 104.434 0.785 15.966 1.00 0.00 H new ATOM 0 HG2 LYS A 8 103.259 -1.673 15.160 1.00 0.00 H new ATOM 0 HG3 LYS A 8 103.491 -1.839 16.889 1.00 0.00 H new ATOM 0 HD2 LYS A 8 102.408 0.800 15.919 1.00 0.00 H new ATOM 0 HD3 LYS A 8 101.327 -0.576 15.819 1.00 0.00 H new ATOM 0 HE2 LYS A 8 100.908 -0.358 18.048 1.00 0.00 H new ATOM 0 HE3 LYS A 8 102.573 -0.798 18.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 102.039 1.365 19.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 103.214 1.535 18.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 101.601 1.962 17.790 1.00 0.00 H new ATOM 122 N ASP A 9 106.635 0.967 13.366 1.00 0.00 N ATOM 123 CA ASP A 9 106.701 2.118 12.420 1.00 0.00 C ATOM 124 C ASP A 9 108.068 2.148 11.729 1.00 0.00 C ATOM 125 O ASP A 9 108.883 1.264 11.901 1.00 0.00 O ATOM 126 CB ASP A 9 106.490 3.422 13.189 1.00 0.00 C ATOM 127 CG ASP A 9 105.237 4.127 12.666 1.00 0.00 C ATOM 128 OD1 ASP A 9 104.199 3.486 12.615 1.00 0.00 O ATOM 129 OD2 ASP A 9 105.335 5.294 12.325 1.00 0.00 O ATOM 0 H ASP A 9 107.536 0.589 13.657 1.00 0.00 H new ATOM 0 HA ASP A 9 105.921 2.007 11.666 1.00 0.00 H new ATOM 0 HB2 ASP A 9 106.386 3.215 14.254 1.00 0.00 H new ATOM 0 HB3 ASP A 9 107.359 4.069 13.073 1.00 0.00 H new ATOM 134 N PHE A 10 108.317 3.162 10.944 1.00 0.00 N ATOM 135 CA PHE A 10 109.623 3.258 10.234 1.00 0.00 C ATOM 136 C PHE A 10 110.681 3.842 11.175 1.00 0.00 C ATOM 137 O PHE A 10 110.351 4.429 12.186 1.00 0.00 O ATOM 138 CB PHE A 10 109.469 4.174 9.018 1.00 0.00 C ATOM 139 CG PHE A 10 108.820 3.412 7.889 1.00 0.00 C ATOM 140 CD1 PHE A 10 107.496 2.974 8.014 1.00 0.00 C ATOM 141 CD2 PHE A 10 109.538 3.144 6.720 1.00 0.00 C ATOM 142 CE1 PHE A 10 106.891 2.268 6.969 1.00 0.00 C ATOM 143 CE2 PHE A 10 108.934 2.437 5.673 1.00 0.00 C ATOM 144 CZ PHE A 10 107.610 1.999 5.799 1.00 0.00 C ATOM 0 H PHE A 10 107.670 3.929 10.764 1.00 0.00 H new ATOM 0 HA PHE A 10 109.934 2.264 9.912 1.00 0.00 H new ATOM 0 HB2 PHE A 10 108.864 5.043 9.279 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.444 4.547 8.705 1.00 0.00 H new ATOM 0 HD1 PHE A 10 106.942 3.181 8.917 1.00 0.00 H new ATOM 0 HD2 PHE A 10 110.559 3.482 6.624 1.00 0.00 H new ATOM 0 HE1 PHE A 10 105.870 1.931 7.065 1.00 0.00 H new ATOM 0 HE2 PHE A 10 109.489 2.230 4.770 1.00 0.00 H new ATOM 0 HZ PHE A 10 107.143 1.453 4.992 1.00 0.00 H new ATOM 154 N PRO A 11 111.925 3.667 10.804 1.00 0.00 N ATOM 155 CA PRO A 11 113.064 4.173 11.589 1.00 0.00 C ATOM 156 C PRO A 11 113.246 5.675 11.350 1.00 0.00 C ATOM 157 O PRO A 11 112.834 6.205 10.338 1.00 0.00 O ATOM 158 CB PRO A 11 114.256 3.383 11.040 1.00 0.00 C ATOM 159 CG PRO A 11 113.849 2.906 9.625 1.00 0.00 C ATOM 160 CD PRO A 11 112.310 2.949 9.571 1.00 0.00 C ATOM 0 HA PRO A 11 112.937 4.048 12.664 1.00 0.00 H new ATOM 0 HB2 PRO A 11 115.149 4.007 10.998 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.490 2.535 11.684 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.282 3.550 8.860 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.215 1.897 9.436 1.00 0.00 H new ATOM 0 HD2 PRO A 11 111.957 3.469 8.680 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.884 1.946 9.544 1.00 0.00 H new ATOM 168 N SER A 12 113.856 6.364 12.274 1.00 0.00 N ATOM 169 CA SER A 12 114.059 7.830 12.098 1.00 0.00 C ATOM 170 C SER A 12 115.015 8.075 10.928 1.00 0.00 C ATOM 171 O SER A 12 114.947 9.088 10.260 1.00 0.00 O ATOM 172 CB SER A 12 114.658 8.416 13.376 1.00 0.00 C ATOM 173 OG SER A 12 115.552 7.472 13.952 1.00 0.00 O ATOM 0 H SER A 12 114.223 5.976 13.143 1.00 0.00 H new ATOM 0 HA SER A 12 113.102 8.309 11.891 1.00 0.00 H new ATOM 0 HB2 SER A 12 115.185 9.344 13.152 1.00 0.00 H new ATOM 0 HB3 SER A 12 113.866 8.662 14.083 1.00 0.00 H new ATOM 0 HG SER A 12 115.939 7.846 14.771 1.00 0.00 H new ATOM 179 N GLU A 13 115.906 7.157 10.677 1.00 0.00 N ATOM 180 CA GLU A 13 116.870 7.336 9.554 1.00 0.00 C ATOM 181 C GLU A 13 116.115 7.348 8.223 1.00 0.00 C ATOM 182 O GLU A 13 116.657 7.709 7.196 1.00 0.00 O ATOM 183 CB GLU A 13 117.873 6.181 9.556 1.00 0.00 C ATOM 184 CG GLU A 13 119.265 6.709 9.203 1.00 0.00 C ATOM 185 CD GLU A 13 119.173 7.627 7.981 1.00 0.00 C ATOM 186 OE1 GLU A 13 119.265 7.119 6.876 1.00 0.00 O ATOM 187 OE2 GLU A 13 119.013 8.821 8.174 1.00 0.00 O ATOM 0 H GLU A 13 116.009 6.288 11.202 1.00 0.00 H new ATOM 0 HA GLU A 13 117.398 8.281 9.680 1.00 0.00 H new ATOM 0 HB2 GLU A 13 117.892 5.704 10.536 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.568 5.420 8.837 1.00 0.00 H new ATOM 0 HG2 GLU A 13 119.683 7.254 10.049 1.00 0.00 H new ATOM 0 HG3 GLU A 13 119.938 5.877 8.996 1.00 0.00 H new ATOM 194 N LEU A 14 114.872 6.953 8.228 1.00 0.00 N ATOM 195 CA LEU A 14 114.092 6.941 6.959 1.00 0.00 C ATOM 196 C LEU A 14 112.894 7.884 7.083 1.00 0.00 C ATOM 197 O LEU A 14 112.100 8.016 6.172 1.00 0.00 O ATOM 198 CB LEU A 14 113.599 5.517 6.682 1.00 0.00 C ATOM 199 CG LEU A 14 114.253 4.984 5.405 1.00 0.00 C ATOM 200 CD1 LEU A 14 115.749 5.305 5.416 1.00 0.00 C ATOM 201 CD2 LEU A 14 114.059 3.467 5.331 1.00 0.00 C ATOM 0 H LEU A 14 114.363 6.639 9.054 1.00 0.00 H new ATOM 0 HA LEU A 14 114.727 7.274 6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 14 113.840 4.868 7.524 1.00 0.00 H new ATOM 0 HB3 LEU A 14 112.514 5.512 6.576 1.00 0.00 H new ATOM 0 HG LEU A 14 113.790 5.457 4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 14 116.210 4.923 4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 14 115.889 6.385 5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 14 116.215 4.836 6.282 1.00 0.00 H new ATOM 0 HD21 LEU A 14 114.524 3.085 4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 14 114.521 2.998 6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 14 112.994 3.237 5.318 1.00 0.00 H new ATOM 213 N LEU A 15 112.757 8.546 8.200 1.00 0.00 N ATOM 214 CA LEU A 15 111.614 9.483 8.373 1.00 0.00 C ATOM 215 C LEU A 15 112.020 10.871 7.874 1.00 0.00 C ATOM 216 O LEU A 15 111.330 11.847 8.089 1.00 0.00 O ATOM 217 CB LEU A 15 111.238 9.563 9.854 1.00 0.00 C ATOM 218 CG LEU A 15 110.644 8.226 10.302 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.753 8.106 11.823 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.171 8.161 9.890 1.00 0.00 C ATOM 0 H LEU A 15 113.388 8.477 8.999 1.00 0.00 H new ATOM 0 HA LEU A 15 110.758 9.124 7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 15 112.118 9.801 10.451 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.518 10.365 10.015 1.00 0.00 H new ATOM 0 HG LEU A 15 111.190 7.408 9.832 1.00 0.00 H new ATOM 0 HD11 LEU A 15 110.330 7.154 12.144 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.801 8.155 12.118 1.00 0.00 H new ATOM 0 HD13 LEU A 15 110.205 8.923 12.293 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.746 7.209 10.208 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.625 8.978 10.361 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.092 8.249 8.806 1.00 0.00 H new ATOM 232 N SER A 16 113.139 10.966 7.206 1.00 0.00 N ATOM 233 CA SER A 16 113.592 12.289 6.692 1.00 0.00 C ATOM 234 C SER A 16 112.882 12.594 5.372 1.00 0.00 C ATOM 235 O SER A 16 112.888 13.712 4.898 1.00 0.00 O ATOM 236 CB SER A 16 115.103 12.255 6.461 1.00 0.00 C ATOM 237 OG SER A 16 115.689 11.285 7.319 1.00 0.00 O ATOM 0 H SER A 16 113.758 10.184 6.995 1.00 0.00 H new ATOM 0 HA SER A 16 113.352 13.063 7.421 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.318 12.013 5.420 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.534 13.237 6.656 1.00 0.00 H new ATOM 0 HG SER A 16 116.658 11.260 7.171 1.00 0.00 H new ATOM 243 N PHE A 17 112.263 11.609 4.779 1.00 0.00 N ATOM 244 CA PHE A 17 111.548 11.849 3.493 1.00 0.00 C ATOM 245 C PHE A 17 110.440 10.811 3.322 1.00 0.00 C ATOM 246 O PHE A 17 110.527 9.925 2.495 1.00 0.00 O ATOM 247 CB PHE A 17 112.528 11.745 2.318 1.00 0.00 C ATOM 248 CG PHE A 17 113.568 10.680 2.591 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.258 9.569 3.387 1.00 0.00 C ATOM 250 CD2 PHE A 17 114.848 10.805 2.037 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.227 8.589 3.629 1.00 0.00 C ATOM 252 CE2 PHE A 17 115.816 9.826 2.278 1.00 0.00 C ATOM 253 CZ PHE A 17 115.506 8.717 3.076 1.00 0.00 C ATOM 0 H PHE A 17 112.222 10.652 5.128 1.00 0.00 H new ATOM 0 HA PHE A 17 111.115 12.849 3.510 1.00 0.00 H new ATOM 0 HB2 PHE A 17 111.985 11.506 1.403 1.00 0.00 H new ATOM 0 HB3 PHE A 17 113.016 12.706 2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.271 9.469 3.814 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.088 11.660 1.422 1.00 0.00 H new ATOM 0 HE1 PHE A 17 113.988 7.733 4.243 1.00 0.00 H new ATOM 0 HE2 PHE A 17 116.802 9.924 1.849 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.254 7.961 3.264 1.00 0.00 H new ATOM 263 N LEU A 18 109.396 10.913 4.097 1.00 0.00 N ATOM 264 CA LEU A 18 108.283 9.932 3.978 1.00 0.00 C ATOM 265 C LEU A 18 106.959 10.684 3.823 1.00 0.00 C ATOM 266 O LEU A 18 106.913 11.897 3.882 1.00 0.00 O ATOM 267 CB LEU A 18 108.238 9.062 5.235 1.00 0.00 C ATOM 268 CG LEU A 18 108.122 7.590 4.835 1.00 0.00 C ATOM 269 CD1 LEU A 18 109.416 7.138 4.152 1.00 0.00 C ATOM 270 CD2 LEU A 18 107.885 6.741 6.086 1.00 0.00 C ATOM 0 H LEU A 18 109.266 11.633 4.807 1.00 0.00 H new ATOM 0 HA LEU A 18 108.443 9.298 3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 18 109.138 9.218 5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 18 107.390 9.348 5.858 1.00 0.00 H new ATOM 0 HG LEU A 18 107.287 7.468 4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 18 109.330 6.089 3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 18 109.587 7.742 3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 18 110.253 7.261 4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 18 107.802 5.692 5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 18 108.721 6.866 6.774 1.00 0.00 H new ATOM 0 HD23 LEU A 18 106.963 7.060 6.573 1.00 0.00 H new ATOM 282 N SER A 19 105.882 9.974 3.624 1.00 0.00 N ATOM 283 CA SER A 19 104.564 10.652 3.463 1.00 0.00 C ATOM 284 C SER A 19 103.944 10.897 4.839 1.00 0.00 C ATOM 285 O SER A 19 103.186 11.827 5.033 1.00 0.00 O ATOM 286 CB SER A 19 103.633 9.765 2.636 1.00 0.00 C ATOM 287 OG SER A 19 104.350 9.235 1.529 1.00 0.00 O ATOM 0 H SER A 19 105.857 8.956 3.566 1.00 0.00 H new ATOM 0 HA SER A 19 104.706 11.605 2.954 1.00 0.00 H new ATOM 0 HB2 SER A 19 103.241 8.955 3.252 1.00 0.00 H new ATOM 0 HB3 SER A 19 102.777 10.342 2.287 1.00 0.00 H new ATOM 0 HG SER A 19 104.543 9.953 0.890 1.00 0.00 H new ATOM 293 N HIS A 20 104.257 10.069 5.798 1.00 0.00 N ATOM 294 CA HIS A 20 103.682 10.256 7.160 1.00 0.00 C ATOM 295 C HIS A 20 102.173 10.477 7.051 1.00 0.00 C ATOM 296 O HIS A 20 101.574 11.148 7.868 1.00 0.00 O ATOM 297 CB HIS A 20 104.330 11.472 7.826 1.00 0.00 C ATOM 298 CG HIS A 20 105.808 11.469 7.550 1.00 0.00 C ATOM 299 ND1 HIS A 20 106.593 12.260 6.747 1.00 0.00 N flip ATOM 300 CD2 HIS A 20 106.670 10.560 8.144 1.00 0.00 C flip ATOM 301 CE1 HIS A 20 107.920 11.848 6.838 1.00 0.00 C flip ATOM 302 NE2 HIS A 20 107.910 10.822 7.693 1.00 0.00 N flip ATOM 0 H HIS A 20 104.885 9.272 5.697 1.00 0.00 H new ATOM 0 HA HIS A 20 103.876 9.367 7.761 1.00 0.00 H new ATOM 0 HB2 HIS A 20 103.881 12.390 7.447 1.00 0.00 H new ATOM 0 HB3 HIS A 20 104.150 11.450 8.901 1.00 0.00 H new ATOM 0 HD2 HIS A 20 106.396 9.783 8.842 1.00 0.00 H new ATOM 0 HE1 HIS A 20 108.774 12.268 6.327 1.00 0.00 H new ATOM 0 HE2 HIS A 20 108.742 10.300 7.970 1.00 0.00 H new ATOM 310 N ALA A 21 101.552 9.920 6.048 1.00 0.00 N ATOM 311 CA ALA A 21 100.082 10.099 5.888 1.00 0.00 C ATOM 312 C ALA A 21 99.448 8.773 5.466 1.00 0.00 C ATOM 313 O ALA A 21 100.018 8.015 4.706 1.00 0.00 O ATOM 314 CB ALA A 21 99.813 11.156 4.815 1.00 0.00 C ATOM 0 H ALA A 21 102.000 9.348 5.332 1.00 0.00 H new ATOM 0 HA ALA A 21 99.650 10.422 6.835 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.738 11.289 4.696 1.00 0.00 H new ATOM 0 HB2 ALA A 21 100.264 12.102 5.115 1.00 0.00 H new ATOM 0 HB3 ALA A 21 100.245 10.832 3.868 1.00 0.00 H new ATOM 320 N VAL A 22 98.270 8.485 5.950 1.00 0.00 N ATOM 321 CA VAL A 22 97.602 7.208 5.574 1.00 0.00 C ATOM 322 C VAL A 22 96.267 7.514 4.891 1.00 0.00 C ATOM 323 O VAL A 22 95.797 6.763 4.060 1.00 0.00 O ATOM 324 CB VAL A 22 97.350 6.372 6.831 1.00 0.00 C ATOM 325 CG1 VAL A 22 97.015 4.935 6.429 1.00 0.00 C ATOM 326 CG2 VAL A 22 98.606 6.376 7.704 1.00 0.00 C ATOM 0 H VAL A 22 97.742 9.079 6.589 1.00 0.00 H new ATOM 0 HA VAL A 22 98.243 6.651 4.890 1.00 0.00 H new ATOM 0 HB VAL A 22 96.516 6.797 7.389 1.00 0.00 H new ATOM 0 HG11 VAL A 22 96.835 4.339 7.324 1.00 0.00 H new ATOM 0 HG12 VAL A 22 96.121 4.931 5.805 1.00 0.00 H new ATOM 0 HG13 VAL A 22 97.849 4.509 5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 22 98.428 5.781 8.600 1.00 0.00 H new ATOM 0 HG22 VAL A 22 99.439 5.950 7.145 1.00 0.00 H new ATOM 0 HG23 VAL A 22 98.847 7.400 7.990 1.00 0.00 H new ATOM 336 N PHE A 23 95.654 8.613 5.234 1.00 0.00 N ATOM 337 CA PHE A 23 94.351 8.968 4.604 1.00 0.00 C ATOM 338 C PHE A 23 94.462 10.343 3.943 1.00 0.00 C ATOM 339 O PHE A 23 93.492 11.065 3.825 1.00 0.00 O ATOM 340 CB PHE A 23 93.259 9.004 5.676 1.00 0.00 C ATOM 341 CG PHE A 23 92.970 7.600 6.147 1.00 0.00 C ATOM 342 CD1 PHE A 23 92.105 6.780 5.413 1.00 0.00 C ATOM 343 CD2 PHE A 23 93.570 7.117 7.317 1.00 0.00 C ATOM 344 CE1 PHE A 23 91.839 5.476 5.850 1.00 0.00 C ATOM 345 CE2 PHE A 23 93.303 5.814 7.753 1.00 0.00 C ATOM 346 CZ PHE A 23 92.437 4.994 7.019 1.00 0.00 C ATOM 0 H PHE A 23 95.999 9.281 5.923 1.00 0.00 H new ATOM 0 HA PHE A 23 94.096 8.222 3.851 1.00 0.00 H new ATOM 0 HB2 PHE A 23 93.578 9.622 6.515 1.00 0.00 H new ATOM 0 HB3 PHE A 23 92.353 9.457 5.273 1.00 0.00 H new ATOM 0 HD1 PHE A 23 91.643 7.152 4.511 1.00 0.00 H new ATOM 0 HD2 PHE A 23 94.238 7.750 7.882 1.00 0.00 H new ATOM 0 HE1 PHE A 23 91.172 4.843 5.284 1.00 0.00 H new ATOM 0 HE2 PHE A 23 93.765 5.441 8.655 1.00 0.00 H new ATOM 0 HZ PHE A 23 92.231 3.989 7.356 1.00 0.00 H new ATOM 356 N SER A 24 95.637 10.709 3.510 1.00 0.00 N ATOM 357 CA SER A 24 95.806 12.037 2.855 1.00 0.00 C ATOM 358 C SER A 24 95.104 12.028 1.496 1.00 0.00 C ATOM 359 O SER A 24 94.816 10.984 0.943 1.00 0.00 O ATOM 360 CB SER A 24 97.296 12.321 2.657 1.00 0.00 C ATOM 361 OG SER A 24 97.622 13.563 3.268 1.00 0.00 O ATOM 0 H SER A 24 96.486 10.148 3.581 1.00 0.00 H new ATOM 0 HA SER A 24 95.369 12.812 3.485 1.00 0.00 H new ATOM 0 HB2 SER A 24 97.892 11.520 3.094 1.00 0.00 H new ATOM 0 HB3 SER A 24 97.534 12.352 1.594 1.00 0.00 H new ATOM 0 HG SER A 24 98.577 13.748 3.145 1.00 0.00 H new ATOM 367 N ASN A 25 94.825 13.181 0.953 1.00 0.00 N ATOM 368 CA ASN A 25 94.142 13.236 -0.369 1.00 0.00 C ATOM 369 C ASN A 25 95.182 13.441 -1.473 1.00 0.00 C ATOM 370 O ASN A 25 94.873 13.913 -2.549 1.00 0.00 O ATOM 371 CB ASN A 25 93.147 14.398 -0.382 1.00 0.00 C ATOM 372 CG ASN A 25 92.035 14.131 0.634 1.00 0.00 C ATOM 373 OD1 ASN A 25 90.993 13.611 0.288 1.00 0.00 O ATOM 374 ND2 ASN A 25 92.213 14.466 1.882 1.00 0.00 N ATOM 0 H ASN A 25 95.041 14.087 1.368 1.00 0.00 H new ATOM 0 HA ASN A 25 93.609 12.301 -0.542 1.00 0.00 H new ATOM 0 HB2 ASN A 25 93.658 15.330 -0.141 1.00 0.00 H new ATOM 0 HB3 ASN A 25 92.722 14.516 -1.379 1.00 0.00 H new ATOM 0 HD21 ASN A 25 91.478 14.291 2.567 1.00 0.00 H new ATOM 0 HD22 ASN A 25 93.088 14.903 2.173 1.00 0.00 H new ATOM 381 N ARG A 26 96.412 13.089 -1.216 1.00 0.00 N ATOM 382 CA ARG A 26 97.470 13.263 -2.250 1.00 0.00 C ATOM 383 C ARG A 26 97.635 11.960 -3.036 1.00 0.00 C ATOM 384 O ARG A 26 97.517 10.879 -2.494 1.00 0.00 O ATOM 385 CB ARG A 26 98.795 13.619 -1.571 1.00 0.00 C ATOM 386 CG ARG A 26 99.506 14.707 -2.377 1.00 0.00 C ATOM 387 CD ARG A 26 99.547 16.002 -1.563 1.00 0.00 C ATOM 388 NE ARG A 26 98.198 16.636 -1.572 1.00 0.00 N ATOM 389 CZ ARG A 26 98.026 17.811 -1.029 1.00 0.00 C ATOM 390 NH1 ARG A 26 98.534 18.066 0.145 1.00 0.00 N ATOM 391 NH2 ARG A 26 97.350 18.729 -1.662 1.00 0.00 N ATOM 0 H ARG A 26 96.730 12.688 -0.334 1.00 0.00 H new ATOM 0 HA ARG A 26 97.183 14.065 -2.930 1.00 0.00 H new ATOM 0 HB2 ARG A 26 98.613 13.966 -0.554 1.00 0.00 H new ATOM 0 HB3 ARG A 26 99.427 12.734 -1.498 1.00 0.00 H new ATOM 0 HG2 ARG A 26 100.519 14.388 -2.624 1.00 0.00 H new ATOM 0 HG3 ARG A 26 98.986 14.874 -3.320 1.00 0.00 H new ATOM 0 HD2 ARG A 26 99.855 15.791 -0.539 1.00 0.00 H new ATOM 0 HD3 ARG A 26 100.285 16.685 -1.983 1.00 0.00 H new ATOM 0 HE ARG A 26 97.410 16.152 -2.002 1.00 0.00 H new ATOM 0 HH11 ARG A 26 99.065 17.348 0.638 1.00 0.00 H new ATOM 0 HH12 ARG A 26 98.400 18.983 0.570 1.00 0.00 H new ATOM 0 HH21 ARG A 26 96.956 18.529 -2.581 1.00 0.00 H new ATOM 0 HH22 ARG A 26 97.216 19.647 -1.238 1.00 0.00 H new ATOM 405 N THR A 27 97.906 12.055 -4.309 1.00 0.00 N ATOM 406 CA THR A 27 98.077 10.822 -5.128 1.00 0.00 C ATOM 407 C THR A 27 99.564 10.472 -5.218 1.00 0.00 C ATOM 408 O THR A 27 100.361 11.233 -5.729 1.00 0.00 O ATOM 409 CB THR A 27 97.524 11.061 -6.535 1.00 0.00 C ATOM 410 OG1 THR A 27 98.183 12.177 -7.117 1.00 0.00 O ATOM 411 CG2 THR A 27 96.022 11.337 -6.454 1.00 0.00 C ATOM 0 H THR A 27 98.016 12.933 -4.817 1.00 0.00 H new ATOM 0 HA THR A 27 97.537 9.999 -4.661 1.00 0.00 H new ATOM 0 HB THR A 27 97.695 10.177 -7.149 1.00 0.00 H new ATOM 0 HG1 THR A 27 99.125 12.178 -6.848 1.00 0.00 H new ATOM 0 HG21 THR A 27 95.629 11.507 -7.456 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.518 10.480 -6.007 1.00 0.00 H new ATOM 0 HG23 THR A 27 95.847 12.221 -5.841 1.00 0.00 H new ATOM 419 N LEU A 28 99.943 9.325 -4.725 1.00 0.00 N ATOM 420 CA LEU A 28 101.378 8.926 -4.782 1.00 0.00 C ATOM 421 C LEU A 28 101.525 7.659 -5.628 1.00 0.00 C ATOM 422 O LEU A 28 100.605 6.877 -5.755 1.00 0.00 O ATOM 423 CB LEU A 28 101.887 8.650 -3.365 1.00 0.00 C ATOM 424 CG LEU A 28 102.425 9.942 -2.749 1.00 0.00 C ATOM 425 CD1 LEU A 28 101.263 10.769 -2.195 1.00 0.00 C ATOM 426 CD2 LEU A 28 103.392 9.600 -1.613 1.00 0.00 C ATOM 0 H LEU A 28 99.321 8.647 -4.285 1.00 0.00 H new ATOM 0 HA LEU A 28 101.959 9.732 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 28 101.080 8.251 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 28 102.672 7.894 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 28 102.947 10.517 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 28 101.648 11.689 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 28 100.573 11.013 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 28 100.739 10.194 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 28 103.776 10.520 -1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 28 102.868 9.024 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 28 104.221 9.012 -2.006 1.00 0.00 H new ATOM 438 N ALA A 29 102.677 7.448 -6.202 1.00 0.00 N ATOM 439 CA ALA A 29 102.886 6.227 -7.033 1.00 0.00 C ATOM 440 C ALA A 29 104.083 5.444 -6.485 1.00 0.00 C ATOM 441 O ALA A 29 104.388 4.357 -6.936 1.00 0.00 O ATOM 442 CB ALA A 29 103.162 6.635 -8.482 1.00 0.00 C ATOM 0 H ALA A 29 103.484 8.068 -6.132 1.00 0.00 H new ATOM 0 HA ALA A 29 101.993 5.603 -6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 29 103.315 5.742 -9.089 1.00 0.00 H new ATOM 0 HB2 ALA A 29 102.312 7.196 -8.870 1.00 0.00 H new ATOM 0 HB3 ALA A 29 104.056 7.257 -8.521 1.00 0.00 H new ATOM 448 N CYS A 30 104.760 5.985 -5.511 1.00 0.00 N ATOM 449 CA CYS A 30 105.927 5.273 -4.925 1.00 0.00 C ATOM 450 C CYS A 30 105.628 4.965 -3.460 1.00 0.00 C ATOM 451 O CYS A 30 105.291 5.844 -2.690 1.00 0.00 O ATOM 452 CB CYS A 30 107.167 6.162 -5.022 1.00 0.00 C ATOM 453 SG CYS A 30 108.509 5.440 -4.042 1.00 0.00 S ATOM 0 H CYS A 30 104.554 6.893 -5.095 1.00 0.00 H new ATOM 0 HA CYS A 30 106.110 4.346 -5.468 1.00 0.00 H new ATOM 0 HB2 CYS A 30 107.476 6.261 -6.063 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.938 7.164 -4.661 1.00 0.00 H new ATOM 0 HG CYS A 30 108.270 4.178 -3.842 1.00 0.00 H new ATOM 459 N PHE A 31 105.730 3.727 -3.063 1.00 0.00 N ATOM 460 CA PHE A 31 105.431 3.388 -1.645 1.00 0.00 C ATOM 461 C PHE A 31 106.533 2.494 -1.071 1.00 0.00 C ATOM 462 O PHE A 31 107.031 1.597 -1.726 1.00 0.00 O ATOM 463 CB PHE A 31 104.091 2.652 -1.567 1.00 0.00 C ATOM 464 CG PHE A 31 103.052 3.376 -2.392 1.00 0.00 C ATOM 465 CD1 PHE A 31 103.185 3.444 -3.786 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.949 3.971 -1.767 1.00 0.00 C ATOM 467 CE1 PHE A 31 102.218 4.106 -4.550 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.982 4.631 -2.530 1.00 0.00 C ATOM 469 CZ PHE A 31 101.115 4.700 -3.923 1.00 0.00 C ATOM 0 H PHE A 31 106.005 2.942 -3.654 1.00 0.00 H new ATOM 0 HA PHE A 31 105.381 4.310 -1.065 1.00 0.00 H new ATOM 0 HB2 PHE A 31 104.207 1.630 -1.929 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.763 2.587 -0.530 1.00 0.00 H new ATOM 0 HD1 PHE A 31 104.034 2.985 -4.270 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.846 3.920 -0.693 1.00 0.00 H new ATOM 0 HE1 PHE A 31 102.322 4.159 -5.624 1.00 0.00 H new ATOM 0 HE2 PHE A 31 100.132 5.088 -2.046 1.00 0.00 H new ATOM 0 HZ PHE A 31 100.368 5.211 -4.513 1.00 0.00 H new ATOM 479 N ALA A 32 106.908 2.730 0.158 1.00 0.00 N ATOM 480 CA ALA A 32 107.965 1.898 0.797 1.00 0.00 C ATOM 481 C ALA A 32 107.315 0.981 1.836 1.00 0.00 C ATOM 482 O ALA A 32 106.940 1.414 2.907 1.00 0.00 O ATOM 483 CB ALA A 32 108.986 2.809 1.483 1.00 0.00 C ATOM 0 H ALA A 32 106.524 3.468 0.749 1.00 0.00 H new ATOM 0 HA ALA A 32 108.471 1.297 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.760 2.201 1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 32 109.440 3.468 0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 32 108.486 3.408 2.244 1.00 0.00 H new ATOM 489 N ILE A 33 107.167 -0.279 1.528 1.00 0.00 N ATOM 490 CA ILE A 33 106.532 -1.212 2.502 1.00 0.00 C ATOM 491 C ILE A 33 107.567 -1.662 3.533 1.00 0.00 C ATOM 492 O ILE A 33 108.682 -2.002 3.198 1.00 0.00 O ATOM 493 CB ILE A 33 105.986 -2.437 1.762 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.732 -2.039 0.980 1.00 0.00 C ATOM 495 CG2 ILE A 33 105.624 -3.530 2.770 1.00 0.00 C ATOM 496 CD1 ILE A 33 104.632 -2.887 -0.289 1.00 0.00 C ATOM 0 H ILE A 33 107.458 -0.702 0.646 1.00 0.00 H new ATOM 0 HA ILE A 33 105.714 -0.699 3.008 1.00 0.00 H new ATOM 0 HB ILE A 33 106.746 -2.812 1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 33 103.845 -2.182 1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 33 104.772 -0.981 0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 33 105.236 -4.400 2.240 1.00 0.00 H new ATOM 0 HG22 ILE A 33 106.513 -3.815 3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.865 -3.155 3.456 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.739 -2.604 -0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 33 105.514 -2.721 -0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 33 104.572 -3.941 -0.018 1.00 0.00 H new ATOM 508 N TYR A 34 107.200 -1.673 4.784 1.00 0.00 N ATOM 509 CA TYR A 34 108.154 -2.110 5.842 1.00 0.00 C ATOM 510 C TYR A 34 107.500 -3.224 6.660 1.00 0.00 C ATOM 511 O TYR A 34 106.734 -2.971 7.568 1.00 0.00 O ATOM 512 CB TYR A 34 108.485 -0.928 6.755 1.00 0.00 C ATOM 513 CG TYR A 34 109.198 -1.424 7.992 1.00 0.00 C ATOM 514 CD1 TYR A 34 110.139 -2.456 7.893 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.918 -0.849 9.237 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.799 -2.913 9.040 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.577 -1.304 10.382 1.00 0.00 C ATOM 518 CZ TYR A 34 110.519 -2.337 10.285 1.00 0.00 C ATOM 519 OH TYR A 34 111.169 -2.786 11.416 1.00 0.00 O ATOM 0 H TYR A 34 106.277 -1.397 5.121 1.00 0.00 H new ATOM 0 HA TYR A 34 109.074 -2.475 5.386 1.00 0.00 H new ATOM 0 HB2 TYR A 34 109.112 -0.211 6.225 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.570 -0.405 7.036 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.356 -2.899 6.932 1.00 0.00 H new ATOM 0 HD2 TYR A 34 108.192 -0.053 9.313 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.524 -3.710 8.964 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.360 -0.859 11.342 1.00 0.00 H new ATOM 0 HH TYR A 34 111.537 -2.022 11.907 1.00 0.00 H new ATOM 529 N THR A 35 107.785 -4.456 6.338 1.00 0.00 N ATOM 530 CA THR A 35 107.162 -5.578 7.094 1.00 0.00 C ATOM 531 C THR A 35 108.160 -6.729 7.221 1.00 0.00 C ATOM 532 O THR A 35 109.281 -6.648 6.762 1.00 0.00 O ATOM 533 CB THR A 35 105.915 -6.076 6.351 1.00 0.00 C ATOM 534 OG1 THR A 35 106.254 -7.221 5.586 1.00 0.00 O ATOM 535 CG2 THR A 35 105.383 -4.986 5.418 1.00 0.00 C ATOM 0 H THR A 35 108.419 -4.733 5.588 1.00 0.00 H new ATOM 0 HA THR A 35 106.880 -5.224 8.086 1.00 0.00 H new ATOM 0 HB THR A 35 105.144 -6.327 7.079 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.828 -6.956 4.837 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.498 -5.353 4.897 1.00 0.00 H new ATOM 0 HG22 THR A 35 105.121 -4.104 6.002 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.150 -4.724 4.690 1.00 0.00 H new ATOM 543 N THR A 36 107.753 -7.806 7.836 1.00 0.00 N ATOM 544 CA THR A 36 108.669 -8.970 7.988 1.00 0.00 C ATOM 545 C THR A 36 109.168 -9.405 6.610 1.00 0.00 C ATOM 546 O THR A 36 108.512 -9.200 5.605 1.00 0.00 O ATOM 547 CB THR A 36 107.915 -10.131 8.645 1.00 0.00 C ATOM 548 OG1 THR A 36 106.664 -10.305 7.996 1.00 0.00 O ATOM 549 CG2 THR A 36 107.687 -9.827 10.127 1.00 0.00 C ATOM 0 H THR A 36 106.825 -7.929 8.240 1.00 0.00 H new ATOM 0 HA THR A 36 109.517 -8.687 8.612 1.00 0.00 H new ATOM 0 HB THR A 36 108.504 -11.044 8.554 1.00 0.00 H new ATOM 0 HG1 THR A 36 106.166 -11.027 8.433 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.151 -10.655 10.590 1.00 0.00 H new ATOM 0 HG22 THR A 36 108.648 -9.695 10.623 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.099 -8.914 10.225 1.00 0.00 H new ATOM 557 N LYS A 37 110.323 -10.009 6.552 1.00 0.00 N ATOM 558 CA LYS A 37 110.862 -10.461 5.245 1.00 0.00 C ATOM 559 C LYS A 37 109.852 -11.400 4.581 1.00 0.00 C ATOM 560 O LYS A 37 109.583 -11.306 3.399 1.00 0.00 O ATOM 561 CB LYS A 37 112.172 -11.209 5.481 1.00 0.00 C ATOM 562 CG LYS A 37 111.884 -12.534 6.190 1.00 0.00 C ATOM 563 CD LYS A 37 113.199 -13.155 6.666 1.00 0.00 C ATOM 564 CE LYS A 37 113.774 -12.320 7.811 1.00 0.00 C ATOM 565 NZ LYS A 37 112.694 -12.003 8.788 1.00 0.00 N ATOM 0 H LYS A 37 110.916 -10.208 7.358 1.00 0.00 H new ATOM 0 HA LYS A 37 111.040 -9.602 4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 37 112.673 -11.394 4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 37 112.846 -10.601 6.084 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.220 -12.368 7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.371 -13.217 5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 37 113.030 -14.179 6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 37 113.911 -13.200 5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 37 114.577 -12.866 8.306 1.00 0.00 H new ATOM 0 HE3 LYS A 37 114.208 -11.399 7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 113.103 -11.912 9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 112.236 -11.108 8.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 111.989 -12.767 8.786 1.00 0.00 H new ATOM 579 N GLU A 38 109.296 -12.309 5.334 1.00 0.00 N ATOM 580 CA GLU A 38 108.309 -13.261 4.759 1.00 0.00 C ATOM 581 C GLU A 38 107.227 -12.495 3.992 1.00 0.00 C ATOM 582 O GLU A 38 106.699 -12.972 3.007 1.00 0.00 O ATOM 583 CB GLU A 38 107.658 -14.063 5.890 1.00 0.00 C ATOM 584 CG GLU A 38 108.202 -15.493 5.882 1.00 0.00 C ATOM 585 CD GLU A 38 108.466 -15.948 7.318 1.00 0.00 C ATOM 586 OE1 GLU A 38 107.505 -16.200 8.026 1.00 0.00 O ATOM 587 OE2 GLU A 38 109.626 -16.039 7.686 1.00 0.00 O ATOM 0 H GLU A 38 109.485 -12.432 6.329 1.00 0.00 H new ATOM 0 HA GLU A 38 108.822 -13.937 4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 38 107.864 -13.590 6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 38 106.575 -14.074 5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 38 107.487 -16.162 5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 38 109.122 -15.540 5.300 1.00 0.00 H new ATOM 594 N LYS A 39 106.889 -11.315 4.435 1.00 0.00 N ATOM 595 CA LYS A 39 105.838 -10.528 3.731 1.00 0.00 C ATOM 596 C LYS A 39 106.415 -9.933 2.448 1.00 0.00 C ATOM 597 O LYS A 39 106.006 -10.279 1.360 1.00 0.00 O ATOM 598 CB LYS A 39 105.353 -9.401 4.640 1.00 0.00 C ATOM 599 CG LYS A 39 103.933 -9.705 5.113 1.00 0.00 C ATOM 600 CD LYS A 39 103.990 -10.619 6.339 1.00 0.00 C ATOM 601 CE LYS A 39 104.104 -12.075 5.886 1.00 0.00 C ATOM 602 NZ LYS A 39 104.350 -12.945 7.070 1.00 0.00 N ATOM 0 H LYS A 39 107.295 -10.862 5.254 1.00 0.00 H new ATOM 0 HA LYS A 39 105.002 -11.182 3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 39 106.019 -9.298 5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 39 105.374 -8.452 4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 39 103.414 -8.779 5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 39 103.367 -10.184 4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 39 104.843 -10.354 6.964 1.00 0.00 H new ATOM 0 HD3 LYS A 39 103.095 -10.485 6.947 1.00 0.00 H new ATOM 0 HE2 LYS A 39 103.189 -12.382 5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 39 104.917 -12.181 5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 104.757 -13.850 6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 105.013 -12.472 7.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 103.452 -13.122 7.564 1.00 0.00 H new ATOM 616 N ALA A 40 107.359 -9.038 2.563 1.00 0.00 N ATOM 617 CA ALA A 40 107.953 -8.422 1.339 1.00 0.00 C ATOM 618 C ALA A 40 108.207 -9.505 0.289 1.00 0.00 C ATOM 619 O ALA A 40 108.194 -9.246 -0.899 1.00 0.00 O ATOM 620 CB ALA A 40 109.277 -7.743 1.694 1.00 0.00 C ATOM 0 H ALA A 40 107.744 -8.707 3.448 1.00 0.00 H new ATOM 0 HA ALA A 40 107.260 -7.682 0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.708 -7.295 0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 40 109.100 -6.967 2.439 1.00 0.00 H new ATOM 0 HB3 ALA A 40 109.968 -8.483 2.098 1.00 0.00 H new ATOM 626 N ALA A 41 108.443 -10.715 0.714 1.00 0.00 N ATOM 627 CA ALA A 41 108.702 -11.812 -0.261 1.00 0.00 C ATOM 628 C ALA A 41 107.483 -11.996 -1.166 1.00 0.00 C ATOM 629 O ALA A 41 107.591 -12.014 -2.375 1.00 0.00 O ATOM 630 CB ALA A 41 108.977 -13.111 0.496 1.00 0.00 C ATOM 0 H ALA A 41 108.468 -10.992 1.695 1.00 0.00 H new ATOM 0 HA ALA A 41 109.568 -11.556 -0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.167 -13.914 -0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 41 109.849 -12.981 1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.112 -13.366 1.108 1.00 0.00 H new ATOM 636 N LEU A 42 106.326 -12.137 -0.587 1.00 0.00 N ATOM 637 CA LEU A 42 105.100 -12.324 -1.411 1.00 0.00 C ATOM 638 C LEU A 42 104.703 -10.992 -2.056 1.00 0.00 C ATOM 639 O LEU A 42 104.079 -10.961 -3.096 1.00 0.00 O ATOM 640 CB LEU A 42 103.967 -12.847 -0.527 1.00 0.00 C ATOM 641 CG LEU A 42 103.413 -11.713 0.325 1.00 0.00 C ATOM 642 CD1 LEU A 42 102.213 -11.096 -0.388 1.00 0.00 C ATOM 643 CD2 LEU A 42 102.975 -12.268 1.681 1.00 0.00 C ATOM 0 H LEU A 42 106.175 -12.131 0.422 1.00 0.00 H new ATOM 0 HA LEU A 42 105.296 -13.049 -2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 42 103.176 -13.269 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 42 104.333 -13.650 0.113 1.00 0.00 H new ATOM 0 HG LEU A 42 104.179 -10.953 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 42 101.810 -10.283 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 42 102.526 -10.708 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 42 101.445 -11.856 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 42 102.578 -11.459 2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.203 -13.024 1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 42 103.831 -12.717 2.184 1.00 0.00 H new ATOM 655 N LEU A 43 105.076 -9.892 -1.458 1.00 0.00 N ATOM 656 CA LEU A 43 104.735 -8.567 -2.049 1.00 0.00 C ATOM 657 C LEU A 43 105.520 -8.392 -3.352 1.00 0.00 C ATOM 658 O LEU A 43 105.103 -7.700 -4.258 1.00 0.00 O ATOM 659 CB LEU A 43 105.127 -7.454 -1.071 1.00 0.00 C ATOM 660 CG LEU A 43 103.945 -7.120 -0.158 1.00 0.00 C ATOM 661 CD1 LEU A 43 102.797 -6.562 -1.001 1.00 0.00 C ATOM 662 CD2 LEU A 43 103.480 -8.387 0.568 1.00 0.00 C ATOM 0 H LEU A 43 105.602 -9.855 -0.585 1.00 0.00 H new ATOM 0 HA LEU A 43 103.664 -8.515 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.982 -7.769 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 43 105.434 -6.565 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 43 104.253 -6.377 0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 43 101.953 -6.323 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 43 103.128 -5.659 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.491 -7.306 -1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 43 102.638 -8.146 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 43 103.172 -9.133 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 43 104.299 -8.784 1.168 1.00 0.00 H new ATOM 674 N TYR A 44 106.657 -9.026 -3.444 1.00 0.00 N ATOM 675 CA TYR A 44 107.490 -8.919 -4.677 1.00 0.00 C ATOM 676 C TYR A 44 106.752 -9.578 -5.846 1.00 0.00 C ATOM 677 O TYR A 44 106.349 -8.925 -6.790 1.00 0.00 O ATOM 678 CB TYR A 44 108.814 -9.649 -4.433 1.00 0.00 C ATOM 679 CG TYR A 44 109.946 -8.964 -5.166 1.00 0.00 C ATOM 680 CD1 TYR A 44 110.098 -9.143 -6.546 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.864 -8.179 -4.457 1.00 0.00 C ATOM 682 CE1 TYR A 44 111.161 -8.531 -7.219 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.936 -7.575 -5.129 1.00 0.00 C ATOM 684 CZ TYR A 44 112.082 -7.748 -6.511 1.00 0.00 C ATOM 685 OH TYR A 44 113.134 -7.152 -7.177 1.00 0.00 O ATOM 0 H TYR A 44 107.048 -9.619 -2.712 1.00 0.00 H new ATOM 0 HA TYR A 44 107.678 -7.872 -4.915 1.00 0.00 H new ATOM 0 HB2 TYR A 44 109.029 -9.675 -3.365 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.731 -10.683 -4.767 1.00 0.00 H new ATOM 0 HD1 TYR A 44 109.394 -9.754 -7.092 1.00 0.00 H new ATOM 0 HD2 TYR A 44 110.746 -8.039 -3.393 1.00 0.00 H new ATOM 0 HE1 TYR A 44 111.272 -8.662 -8.285 1.00 0.00 H new ATOM 0 HE2 TYR A 44 112.649 -6.977 -4.581 1.00 0.00 H new ATOM 0 HH TYR A 44 113.013 -6.180 -7.176 1.00 0.00 H new ATOM 695 N LYS A 45 106.577 -10.871 -5.788 1.00 0.00 N ATOM 696 CA LYS A 45 105.874 -11.584 -6.891 1.00 0.00 C ATOM 697 C LYS A 45 104.406 -11.147 -6.941 1.00 0.00 C ATOM 698 O LYS A 45 103.724 -11.355 -7.925 1.00 0.00 O ATOM 699 CB LYS A 45 105.946 -13.093 -6.644 1.00 0.00 C ATOM 700 CG LYS A 45 106.350 -13.806 -7.935 1.00 0.00 C ATOM 701 CD LYS A 45 105.465 -15.039 -8.134 1.00 0.00 C ATOM 702 CE LYS A 45 105.965 -16.176 -7.241 1.00 0.00 C ATOM 703 NZ LYS A 45 105.328 -17.456 -7.664 1.00 0.00 N ATOM 0 H LYS A 45 106.892 -11.465 -5.021 1.00 0.00 H new ATOM 0 HA LYS A 45 106.353 -11.342 -7.840 1.00 0.00 H new ATOM 0 HB2 LYS A 45 106.668 -13.309 -5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 45 104.980 -13.462 -6.300 1.00 0.00 H new ATOM 0 HG2 LYS A 45 106.247 -13.130 -8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 45 107.398 -14.101 -7.888 1.00 0.00 H new ATOM 0 HD2 LYS A 45 104.430 -14.800 -7.891 1.00 0.00 H new ATOM 0 HD3 LYS A 45 105.484 -15.348 -9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 45 107.050 -16.257 -7.310 1.00 0.00 H new ATOM 0 HE3 LYS A 45 105.727 -15.966 -6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 105.667 -18.230 -7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 104.295 -17.375 -7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 105.577 -17.657 -8.654 1.00 0.00 H new ATOM 717 N LYS A 46 103.914 -10.547 -5.892 1.00 0.00 N ATOM 718 CA LYS A 46 102.490 -10.104 -5.892 1.00 0.00 C ATOM 719 C LYS A 46 102.387 -8.716 -6.527 1.00 0.00 C ATOM 720 O LYS A 46 101.964 -8.570 -7.657 1.00 0.00 O ATOM 721 CB LYS A 46 101.971 -10.045 -4.455 1.00 0.00 C ATOM 722 CG LYS A 46 101.701 -11.463 -3.947 1.00 0.00 C ATOM 723 CD LYS A 46 100.214 -11.786 -4.102 1.00 0.00 C ATOM 724 CE LYS A 46 99.880 -13.050 -3.309 1.00 0.00 C ATOM 725 NZ LYS A 46 100.877 -14.112 -3.628 1.00 0.00 N ATOM 0 H LYS A 46 104.434 -10.345 -5.038 1.00 0.00 H new ATOM 0 HA LYS A 46 101.892 -10.812 -6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.701 -9.551 -3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 46 101.057 -9.452 -4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 46 102.300 -12.181 -4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 46 101.995 -11.548 -2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 46 99.611 -10.951 -3.746 1.00 0.00 H new ATOM 0 HD3 LYS A 46 99.970 -11.929 -5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 46 99.890 -12.836 -2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 46 98.875 -13.393 -3.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 100.479 -15.044 -3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 101.108 -14.079 -4.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 101.741 -13.955 -3.071 1.00 0.00 H new ATOM 739 N ILE A 47 102.772 -7.695 -5.811 1.00 0.00 N ATOM 740 CA ILE A 47 102.700 -6.317 -6.375 1.00 0.00 C ATOM 741 C ILE A 47 103.227 -6.325 -7.814 1.00 0.00 C ATOM 742 O ILE A 47 102.884 -5.480 -8.613 1.00 0.00 O ATOM 743 CB ILE A 47 103.565 -5.375 -5.538 1.00 0.00 C ATOM 744 CG1 ILE A 47 103.036 -5.329 -4.089 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.559 -3.977 -6.176 1.00 0.00 C ATOM 746 CD1 ILE A 47 101.994 -4.217 -3.915 1.00 0.00 C ATOM 0 H ILE A 47 103.134 -7.756 -4.859 1.00 0.00 H new ATOM 0 HA ILE A 47 101.664 -5.978 -6.361 1.00 0.00 H new ATOM 0 HB ILE A 47 104.592 -5.739 -5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 47 102.593 -6.290 -3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.865 -5.165 -3.401 1.00 0.00 H new ATOM 0 HG21 ILE A 47 104.175 -3.303 -5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.960 -4.037 -7.188 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.538 -3.598 -6.212 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.639 -4.209 -2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 47 102.447 -3.254 -4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.154 -4.397 -4.586 1.00 0.00 H new ATOM 758 N MET A 48 104.075 -7.266 -8.142 1.00 0.00 N ATOM 759 CA MET A 48 104.648 -7.333 -9.520 1.00 0.00 C ATOM 760 C MET A 48 103.604 -6.935 -10.573 1.00 0.00 C ATOM 761 O MET A 48 103.634 -5.843 -11.103 1.00 0.00 O ATOM 762 CB MET A 48 105.124 -8.760 -9.797 1.00 0.00 C ATOM 763 CG MET A 48 106.650 -8.780 -9.891 1.00 0.00 C ATOM 764 SD MET A 48 107.223 -10.487 -10.071 1.00 0.00 S ATOM 765 CE MET A 48 108.928 -10.212 -9.531 1.00 0.00 C ATOM 0 H MET A 48 104.398 -7.997 -7.508 1.00 0.00 H new ATOM 0 HA MET A 48 105.483 -6.635 -9.582 1.00 0.00 H new ATOM 0 HB2 MET A 48 104.789 -9.427 -9.002 1.00 0.00 H new ATOM 0 HB3 MET A 48 104.687 -9.126 -10.726 1.00 0.00 H new ATOM 0 HG2 MET A 48 106.980 -8.183 -10.741 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.086 -8.331 -8.998 1.00 0.00 H new ATOM 0 HE1 MET A 48 109.610 -10.435 -10.351 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.051 -9.172 -9.230 1.00 0.00 H new ATOM 0 HE3 MET A 48 109.151 -10.863 -8.686 1.00 0.00 H new ATOM 775 N GLU A 49 102.697 -7.817 -10.897 1.00 0.00 N ATOM 776 CA GLU A 49 101.675 -7.489 -11.937 1.00 0.00 C ATOM 777 C GLU A 49 100.492 -6.741 -11.313 1.00 0.00 C ATOM 778 O GLU A 49 99.598 -6.297 -12.007 1.00 0.00 O ATOM 779 CB GLU A 49 101.170 -8.783 -12.576 1.00 0.00 C ATOM 780 CG GLU A 49 102.053 -9.142 -13.772 1.00 0.00 C ATOM 781 CD GLU A 49 101.712 -10.554 -14.253 1.00 0.00 C ATOM 782 OE1 GLU A 49 100.566 -10.776 -14.607 1.00 0.00 O ATOM 783 OE2 GLU A 49 102.602 -11.388 -14.260 1.00 0.00 O ATOM 0 H GLU A 49 102.618 -8.748 -10.489 1.00 0.00 H new ATOM 0 HA GLU A 49 102.136 -6.852 -12.692 1.00 0.00 H new ATOM 0 HB2 GLU A 49 101.184 -9.591 -11.845 1.00 0.00 H new ATOM 0 HB3 GLU A 49 100.136 -8.662 -12.898 1.00 0.00 H new ATOM 0 HG2 GLU A 49 101.900 -8.425 -14.579 1.00 0.00 H new ATOM 0 HG3 GLU A 49 103.105 -9.086 -13.491 1.00 0.00 H new ATOM 790 N LYS A 50 100.470 -6.598 -10.019 1.00 0.00 N ATOM 791 CA LYS A 50 99.332 -5.882 -9.375 1.00 0.00 C ATOM 792 C LYS A 50 99.470 -4.374 -9.611 1.00 0.00 C ATOM 793 O LYS A 50 98.494 -3.654 -9.663 1.00 0.00 O ATOM 794 CB LYS A 50 99.334 -6.166 -7.873 1.00 0.00 C ATOM 795 CG LYS A 50 98.064 -5.591 -7.244 1.00 0.00 C ATOM 796 CD LYS A 50 97.192 -6.728 -6.706 1.00 0.00 C ATOM 797 CE LYS A 50 98.042 -7.672 -5.854 1.00 0.00 C ATOM 798 NZ LYS A 50 98.219 -8.965 -6.572 1.00 0.00 N ATOM 0 H LYS A 50 101.186 -6.943 -9.380 1.00 0.00 H new ATOM 0 HA LYS A 50 98.395 -6.230 -9.810 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.387 -7.240 -7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 50 100.215 -5.723 -7.409 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.325 -4.907 -6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.510 -5.014 -7.984 1.00 0.00 H new ATOM 0 HD2 LYS A 50 96.375 -6.322 -6.110 1.00 0.00 H new ATOM 0 HD3 LYS A 50 96.741 -7.276 -7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.013 -7.221 -5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 50 97.561 -7.842 -4.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 97.509 -9.647 -6.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 98.100 -8.814 -7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 99.172 -9.338 -6.386 1.00 0.00 H new ATOM 812 N TYR A 51 100.675 -3.893 -9.750 1.00 0.00 N ATOM 813 CA TYR A 51 100.876 -2.434 -9.981 1.00 0.00 C ATOM 814 C TYR A 51 102.004 -2.221 -10.988 1.00 0.00 C ATOM 815 O TYR A 51 102.528 -1.134 -11.109 1.00 0.00 O ATOM 816 CB TYR A 51 101.267 -1.755 -8.665 1.00 0.00 C ATOM 817 CG TYR A 51 100.069 -1.669 -7.759 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.789 -2.713 -6.871 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.235 -0.547 -7.809 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.674 -2.633 -6.032 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.121 -0.466 -6.976 1.00 0.00 C ATOM 822 CZ TYR A 51 97.837 -1.508 -6.083 1.00 0.00 C ATOM 823 OH TYR A 51 96.734 -1.430 -5.258 1.00 0.00 O ATOM 0 H TYR A 51 101.530 -4.448 -9.714 1.00 0.00 H new ATOM 0 HA TYR A 51 99.949 -2.007 -10.364 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.063 -2.318 -8.178 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.657 -0.757 -8.862 1.00 0.00 H new ATOM 0 HD1 TYR A 51 100.433 -3.579 -6.834 1.00 0.00 H new ATOM 0 HD2 TYR A 51 99.455 0.258 -8.495 1.00 0.00 H new ATOM 0 HE1 TYR A 51 98.457 -3.437 -5.344 1.00 0.00 H new ATOM 0 HE2 TYR A 51 97.477 0.400 -7.019 1.00 0.00 H new ATOM 0 HH TYR A 51 96.264 -0.586 -5.420 1.00 0.00 H new ATOM 833 N SER A 52 102.400 -3.242 -11.700 1.00 0.00 N ATOM 834 CA SER A 52 103.514 -3.064 -12.675 1.00 0.00 C ATOM 835 C SER A 52 104.630 -2.279 -11.982 1.00 0.00 C ATOM 836 O SER A 52 105.131 -1.299 -12.496 1.00 0.00 O ATOM 837 CB SER A 52 103.013 -2.285 -13.892 1.00 0.00 C ATOM 838 OG SER A 52 101.633 -1.992 -13.726 1.00 0.00 O ATOM 0 H SER A 52 102.005 -4.181 -11.650 1.00 0.00 H new ATOM 0 HA SER A 52 103.885 -4.033 -13.009 1.00 0.00 H new ATOM 0 HB2 SER A 52 103.581 -1.362 -14.007 1.00 0.00 H new ATOM 0 HB3 SER A 52 103.166 -2.868 -14.800 1.00 0.00 H new ATOM 0 HG SER A 52 101.309 -1.491 -14.504 1.00 0.00 H new ATOM 844 N VAL A 53 104.991 -2.702 -10.800 1.00 0.00 N ATOM 845 CA VAL A 53 106.048 -1.999 -10.015 1.00 0.00 C ATOM 846 C VAL A 53 107.128 -1.422 -10.928 1.00 0.00 C ATOM 847 O VAL A 53 107.799 -2.137 -11.646 1.00 0.00 O ATOM 848 CB VAL A 53 106.698 -2.987 -9.047 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.679 -3.417 -7.994 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.178 -4.217 -9.823 1.00 0.00 C ATOM 0 H VAL A 53 104.591 -3.519 -10.338 1.00 0.00 H new ATOM 0 HA VAL A 53 105.578 -1.179 -9.472 1.00 0.00 H new ATOM 0 HB VAL A 53 107.546 -2.510 -8.556 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.144 -4.122 -7.304 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.335 -2.542 -7.442 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.830 -3.894 -8.483 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.642 -4.923 -9.135 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.328 -4.693 -10.313 1.00 0.00 H new ATOM 0 HG23 VAL A 53 107.906 -3.912 -10.575 1.00 0.00 H new ATOM 860 N THR A 54 107.324 -0.132 -10.878 1.00 0.00 N ATOM 861 CA THR A 54 108.388 0.489 -11.711 1.00 0.00 C ATOM 862 C THR A 54 109.747 0.101 -11.125 1.00 0.00 C ATOM 863 O THR A 54 110.785 0.384 -11.689 1.00 0.00 O ATOM 864 CB THR A 54 108.237 2.012 -11.689 1.00 0.00 C ATOM 865 OG1 THR A 54 106.863 2.350 -11.555 1.00 0.00 O ATOM 866 CG2 THR A 54 108.784 2.600 -12.991 1.00 0.00 C ATOM 0 H THR A 54 106.793 0.516 -10.296 1.00 0.00 H new ATOM 0 HA THR A 54 108.308 0.141 -12.741 1.00 0.00 H new ATOM 0 HB THR A 54 108.795 2.420 -10.846 1.00 0.00 H new ATOM 0 HG1 THR A 54 106.766 3.325 -11.539 1.00 0.00 H new ATOM 0 HG21 THR A 54 108.676 3.684 -12.974 1.00 0.00 H new ATOM 0 HG22 THR A 54 109.838 2.342 -13.092 1.00 0.00 H new ATOM 0 HG23 THR A 54 108.228 2.193 -13.836 1.00 0.00 H new ATOM 874 N PHE A 55 109.743 -0.544 -9.985 1.00 0.00 N ATOM 875 CA PHE A 55 111.022 -0.952 -9.347 1.00 0.00 C ATOM 876 C PHE A 55 110.721 -1.608 -7.993 1.00 0.00 C ATOM 877 O PHE A 55 110.218 -0.975 -7.086 1.00 0.00 O ATOM 878 CB PHE A 55 111.894 0.287 -9.137 1.00 0.00 C ATOM 879 CG PHE A 55 113.031 -0.044 -8.204 1.00 0.00 C ATOM 880 CD1 PHE A 55 114.033 -0.933 -8.608 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.083 0.538 -6.933 1.00 0.00 C ATOM 882 CE1 PHE A 55 115.085 -1.239 -7.742 1.00 0.00 C ATOM 883 CE2 PHE A 55 114.135 0.233 -6.067 1.00 0.00 C ATOM 884 CZ PHE A 55 115.138 -0.656 -6.472 1.00 0.00 C ATOM 0 H PHE A 55 108.902 -0.805 -9.470 1.00 0.00 H new ATOM 0 HA PHE A 55 111.548 -1.662 -9.985 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.285 0.635 -10.093 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.296 1.099 -8.723 1.00 0.00 H new ATOM 0 HD1 PHE A 55 113.993 -1.382 -9.589 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.309 1.224 -6.621 1.00 0.00 H new ATOM 0 HE1 PHE A 55 115.858 -1.926 -8.053 1.00 0.00 H new ATOM 0 HE2 PHE A 55 114.175 0.682 -5.086 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.953 -0.892 -5.803 1.00 0.00 H new ATOM 894 N ILE A 56 111.021 -2.871 -7.852 1.00 0.00 N ATOM 895 CA ILE A 56 110.750 -3.564 -6.557 1.00 0.00 C ATOM 896 C ILE A 56 112.078 -4.057 -5.971 1.00 0.00 C ATOM 897 O ILE A 56 112.737 -4.905 -6.536 1.00 0.00 O ATOM 898 CB ILE A 56 109.795 -4.750 -6.804 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.903 -5.788 -5.676 1.00 0.00 C ATOM 900 CG2 ILE A 56 110.162 -5.426 -8.128 1.00 0.00 C ATOM 901 CD1 ILE A 56 108.656 -5.765 -4.797 1.00 0.00 C ATOM 0 H ILE A 56 111.442 -3.453 -8.576 1.00 0.00 H new ATOM 0 HA ILE A 56 110.281 -2.878 -5.851 1.00 0.00 H new ATOM 0 HB ILE A 56 108.775 -4.368 -6.836 1.00 0.00 H new ATOM 0 HG12 ILE A 56 110.035 -6.783 -6.102 1.00 0.00 H new ATOM 0 HG13 ILE A 56 110.785 -5.582 -5.069 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.490 -6.265 -8.307 1.00 0.00 H new ATOM 0 HG22 ILE A 56 110.069 -4.707 -8.942 1.00 0.00 H new ATOM 0 HG23 ILE A 56 111.189 -5.788 -8.079 1.00 0.00 H new ATOM 0 HD11 ILE A 56 108.755 -6.508 -4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 56 108.541 -4.776 -4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 56 107.780 -5.995 -5.403 1.00 0.00 H new ATOM 913 N SER A 57 112.475 -3.536 -4.840 1.00 0.00 N ATOM 914 CA SER A 57 113.759 -3.986 -4.230 1.00 0.00 C ATOM 915 C SER A 57 113.542 -4.357 -2.764 1.00 0.00 C ATOM 916 O SER A 57 112.903 -3.642 -2.020 1.00 0.00 O ATOM 917 CB SER A 57 114.779 -2.858 -4.306 1.00 0.00 C ATOM 918 OG SER A 57 115.962 -3.248 -3.620 1.00 0.00 O ATOM 0 H SER A 57 111.969 -2.823 -4.315 1.00 0.00 H new ATOM 0 HA SER A 57 114.122 -4.857 -4.775 1.00 0.00 H new ATOM 0 HB2 SER A 57 115.007 -2.628 -5.347 1.00 0.00 H new ATOM 0 HB3 SER A 57 114.369 -1.951 -3.862 1.00 0.00 H new ATOM 0 HG SER A 57 115.894 -2.989 -2.677 1.00 0.00 H new ATOM 924 N ARG A 58 114.089 -5.459 -2.334 1.00 0.00 N ATOM 925 CA ARG A 58 113.931 -5.858 -0.908 1.00 0.00 C ATOM 926 C ARG A 58 115.171 -5.400 -0.137 1.00 0.00 C ATOM 927 O ARG A 58 116.276 -5.817 -0.423 1.00 0.00 O ATOM 928 CB ARG A 58 113.796 -7.379 -0.809 1.00 0.00 C ATOM 929 CG ARG A 58 112.493 -7.729 -0.086 1.00 0.00 C ATOM 930 CD ARG A 58 112.196 -9.220 -0.256 1.00 0.00 C ATOM 931 NE ARG A 58 113.423 -10.010 0.047 1.00 0.00 N ATOM 932 CZ ARG A 58 113.407 -11.310 -0.068 1.00 0.00 C ATOM 933 NH1 ARG A 58 113.276 -11.861 -1.243 1.00 0.00 N ATOM 934 NH2 ARG A 58 113.523 -12.060 0.995 1.00 0.00 N ATOM 0 H ARG A 58 114.638 -6.100 -2.907 1.00 0.00 H new ATOM 0 HA ARG A 58 113.037 -5.397 -0.488 1.00 0.00 H new ATOM 0 HB2 ARG A 58 113.802 -7.821 -1.805 1.00 0.00 H new ATOM 0 HB3 ARG A 58 114.647 -7.796 -0.270 1.00 0.00 H new ATOM 0 HG2 ARG A 58 112.575 -7.483 0.973 1.00 0.00 H new ATOM 0 HG3 ARG A 58 111.672 -7.136 -0.488 1.00 0.00 H new ATOM 0 HD2 ARG A 58 111.385 -9.518 0.409 1.00 0.00 H new ATOM 0 HD3 ARG A 58 111.863 -9.421 -1.274 1.00 0.00 H new ATOM 0 HE ARG A 58 114.275 -9.535 0.344 1.00 0.00 H new ATOM 0 HH11 ARG A 58 113.186 -11.276 -2.074 1.00 0.00 H new ATOM 0 HH12 ARG A 58 113.264 -12.877 -1.331 1.00 0.00 H new ATOM 0 HH21 ARG A 58 113.626 -11.630 1.914 1.00 0.00 H new ATOM 0 HH22 ARG A 58 113.511 -13.076 0.906 1.00 0.00 H new ATOM 948 N HIS A 59 115.006 -4.532 0.825 1.00 0.00 N ATOM 949 CA HIS A 59 116.189 -4.045 1.591 1.00 0.00 C ATOM 950 C HIS A 59 116.089 -4.490 3.051 1.00 0.00 C ATOM 951 O HIS A 59 115.066 -4.969 3.500 1.00 0.00 O ATOM 952 CB HIS A 59 116.239 -2.516 1.529 1.00 0.00 C ATOM 953 CG HIS A 59 116.319 -2.076 0.093 1.00 0.00 C ATOM 954 ND1 HIS A 59 117.529 -1.887 -0.555 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.348 -1.784 -0.833 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.259 -1.500 -1.815 1.00 0.00 C ATOM 957 NE2 HIS A 59 115.944 -1.420 -2.036 1.00 0.00 N ATOM 0 H HIS A 59 114.109 -4.141 1.112 1.00 0.00 H new ATOM 0 HA HIS A 59 117.095 -4.463 1.152 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.353 -2.093 2.002 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.102 -2.147 2.083 1.00 0.00 H new ATOM 0 HD1 HIS A 59 118.456 -2.018 -0.150 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.284 -1.830 -0.655 1.00 0.00 H new ATOM 0 HE1 HIS A 59 118.013 -1.281 -2.557 1.00 0.00 H new ATOM 965 N ASN A 60 117.148 -4.330 3.798 1.00 0.00 N ATOM 966 CA ASN A 60 117.123 -4.737 5.232 1.00 0.00 C ATOM 967 C ASN A 60 117.287 -3.496 6.111 1.00 0.00 C ATOM 968 O ASN A 60 118.201 -2.716 5.932 1.00 0.00 O ATOM 969 CB ASN A 60 118.272 -5.708 5.509 1.00 0.00 C ATOM 970 CG ASN A 60 117.759 -7.147 5.433 1.00 0.00 C ATOM 971 OD1 ASN A 60 117.072 -7.605 6.325 1.00 0.00 O ATOM 972 ND2 ASN A 60 118.066 -7.883 4.401 1.00 0.00 N ATOM 0 H ASN A 60 118.031 -3.934 3.476 1.00 0.00 H new ATOM 0 HA ASN A 60 116.174 -5.224 5.455 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.071 -5.558 4.783 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.696 -5.514 6.494 1.00 0.00 H new ATOM 0 HD21 ASN A 60 117.729 -8.844 4.342 1.00 0.00 H new ATOM 0 HD22 ASN A 60 118.643 -7.498 3.653 1.00 0.00 H new ATOM 979 N SER A 61 116.410 -3.304 7.058 1.00 0.00 N ATOM 980 CA SER A 61 116.524 -2.110 7.941 1.00 0.00 C ATOM 981 C SER A 61 116.945 -2.548 9.347 1.00 0.00 C ATOM 982 O SER A 61 117.953 -2.110 9.866 1.00 0.00 O ATOM 983 CB SER A 61 115.175 -1.396 8.011 1.00 0.00 C ATOM 984 OG SER A 61 114.174 -2.320 8.417 1.00 0.00 O ATOM 0 H SER A 61 115.622 -3.920 7.258 1.00 0.00 H new ATOM 0 HA SER A 61 117.274 -1.431 7.535 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.226 -0.566 8.715 1.00 0.00 H new ATOM 0 HB3 SER A 61 114.923 -0.974 7.038 1.00 0.00 H new ATOM 0 HG SER A 61 113.345 -1.837 8.619 1.00 0.00 H new ATOM 990 N TYR A 62 116.183 -3.406 9.967 1.00 0.00 N ATOM 991 CA TYR A 62 116.545 -3.865 11.339 1.00 0.00 C ATOM 992 C TYR A 62 116.227 -5.355 11.483 1.00 0.00 C ATOM 993 O TYR A 62 117.049 -6.205 11.204 1.00 0.00 O ATOM 994 CB TYR A 62 115.744 -3.067 12.371 1.00 0.00 C ATOM 995 CG TYR A 62 116.174 -1.620 12.331 1.00 0.00 C ATOM 996 CD1 TYR A 62 115.768 -0.800 11.272 1.00 0.00 C ATOM 997 CD2 TYR A 62 116.979 -1.099 13.351 1.00 0.00 C ATOM 998 CE1 TYR A 62 116.165 0.541 11.235 1.00 0.00 C ATOM 999 CE2 TYR A 62 117.375 0.242 13.313 1.00 0.00 C ATOM 1000 CZ TYR A 62 116.969 1.062 12.254 1.00 0.00 C ATOM 1001 OH TYR A 62 117.361 2.385 12.216 1.00 0.00 O ATOM 0 H TYR A 62 115.327 -3.809 9.585 1.00 0.00 H new ATOM 0 HA TYR A 62 117.611 -3.707 11.505 1.00 0.00 H new ATOM 0 HB2 TYR A 62 114.678 -3.147 12.160 1.00 0.00 H new ATOM 0 HB3 TYR A 62 115.904 -3.478 13.368 1.00 0.00 H new ATOM 0 HD1 TYR A 62 115.149 -1.202 10.484 1.00 0.00 H new ATOM 0 HD2 TYR A 62 117.294 -1.732 14.167 1.00 0.00 H new ATOM 0 HE1 TYR A 62 115.850 1.174 10.419 1.00 0.00 H new ATOM 0 HE2 TYR A 62 117.994 0.645 14.101 1.00 0.00 H new ATOM 0 HH TYR A 62 117.915 2.585 13.000 1.00 0.00 H new ATOM 1011 N ASN A 63 115.040 -5.679 11.919 1.00 0.00 N ATOM 1012 CA ASN A 63 114.674 -7.114 12.081 1.00 0.00 C ATOM 1013 C ASN A 63 113.733 -7.536 10.951 1.00 0.00 C ATOM 1014 O ASN A 63 113.218 -8.635 10.941 1.00 0.00 O ATOM 1015 CB ASN A 63 113.972 -7.311 13.426 1.00 0.00 C ATOM 1016 CG ASN A 63 115.019 -7.503 14.525 1.00 0.00 C ATOM 1017 OD1 ASN A 63 115.985 -6.634 14.646 1.00 0.00 O flip ATOM 1018 ND2 ASN A 63 114.957 -8.451 15.281 1.00 0.00 N flip ATOM 0 H ASN A 63 114.309 -5.013 12.170 1.00 0.00 H new ATOM 0 HA ASN A 63 115.577 -7.723 12.046 1.00 0.00 H new ATOM 0 HB2 ASN A 63 113.347 -6.447 13.652 1.00 0.00 H new ATOM 0 HB3 ASN A 63 113.313 -8.178 13.381 1.00 0.00 H new ATOM 0 HD21 ASN A 63 114.202 -9.130 15.186 1.00 0.00 H new ATOM 0 HD22 ASN A 63 115.660 -8.568 16.011 1.00 0.00 H new ATOM 1025 N HIS A 64 113.504 -6.672 10.000 1.00 0.00 N ATOM 1026 CA HIS A 64 112.594 -7.030 8.877 1.00 0.00 C ATOM 1027 C HIS A 64 113.090 -6.374 7.584 1.00 0.00 C ATOM 1028 O HIS A 64 114.125 -5.740 7.562 1.00 0.00 O ATOM 1029 CB HIS A 64 111.180 -6.555 9.207 1.00 0.00 C ATOM 1030 CG HIS A 64 110.772 -7.129 10.537 1.00 0.00 C ATOM 1031 ND1 HIS A 64 110.658 -8.423 10.979 1.00 0.00 N flip ATOM 1032 CD2 HIS A 64 110.429 -6.331 11.616 1.00 0.00 C flip ATOM 1033 CE1 HIS A 64 110.253 -8.433 12.307 1.00 0.00 C flip ATOM 1034 NE2 HIS A 64 110.129 -7.149 12.643 1.00 0.00 N flip ATOM 0 H HIS A 64 113.907 -5.736 9.953 1.00 0.00 H new ATOM 0 HA HIS A 64 112.584 -8.111 8.738 1.00 0.00 H new ATOM 0 HB2 HIS A 64 111.146 -5.466 9.240 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.485 -6.872 8.430 1.00 0.00 H new ATOM 0 HD1 HIS A 64 110.843 -9.253 10.416 1.00 0.00 H new ATOM 0 HD2 HIS A 64 110.406 -5.251 11.631 1.00 0.00 H new ATOM 0 HE1 HIS A 64 110.076 -9.295 12.933 1.00 0.00 H new ATOM 1042 N ASN A 65 112.374 -6.533 6.503 1.00 0.00 N ATOM 1043 CA ASN A 65 112.832 -5.928 5.217 1.00 0.00 C ATOM 1044 C ASN A 65 111.822 -4.888 4.724 1.00 0.00 C ATOM 1045 O ASN A 65 110.679 -4.862 5.142 1.00 0.00 O ATOM 1046 CB ASN A 65 112.980 -7.026 4.161 1.00 0.00 C ATOM 1047 CG ASN A 65 113.801 -8.184 4.730 1.00 0.00 C ATOM 1048 OD1 ASN A 65 113.555 -9.329 4.414 1.00 0.00 O ATOM 1049 ND2 ASN A 65 114.776 -7.932 5.560 1.00 0.00 N ATOM 0 H ASN A 65 111.497 -7.052 6.454 1.00 0.00 H new ATOM 0 HA ASN A 65 113.792 -5.439 5.383 1.00 0.00 H new ATOM 0 HB2 ASN A 65 111.997 -7.382 3.853 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.467 -6.625 3.272 1.00 0.00 H new ATOM 0 HD21 ASN A 65 115.331 -8.698 5.943 1.00 0.00 H new ATOM 0 HD22 ASN A 65 114.983 -6.969 5.826 1.00 0.00 H new ATOM 1056 N ILE A 66 112.241 -4.036 3.825 1.00 0.00 N ATOM 1057 CA ILE A 66 111.321 -2.999 3.281 1.00 0.00 C ATOM 1058 C ILE A 66 111.145 -3.233 1.778 1.00 0.00 C ATOM 1059 O ILE A 66 112.074 -3.095 1.007 1.00 0.00 O ATOM 1060 CB ILE A 66 111.917 -1.604 3.521 1.00 0.00 C ATOM 1061 CG1 ILE A 66 111.681 -1.199 4.976 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.248 -0.578 2.596 1.00 0.00 C ATOM 1063 CD1 ILE A 66 113.023 -1.102 5.703 1.00 0.00 C ATOM 0 H ILE A 66 113.187 -4.016 3.443 1.00 0.00 H new ATOM 0 HA ILE A 66 110.354 -3.063 3.780 1.00 0.00 H new ATOM 0 HB ILE A 66 112.986 -1.631 3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 66 111.162 -0.241 5.018 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.040 -1.930 5.469 1.00 0.00 H new ATOM 0 HG21 ILE A 66 111.678 0.408 2.774 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.413 -0.863 1.557 1.00 0.00 H new ATOM 0 HG23 ILE A 66 110.177 -0.549 2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 66 112.855 -0.813 6.740 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.524 -2.069 5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 66 113.648 -0.354 5.215 1.00 0.00 H new ATOM 1075 N LEU A 67 109.963 -3.588 1.358 1.00 0.00 N ATOM 1076 CA LEU A 67 109.735 -3.831 -0.093 1.00 0.00 C ATOM 1077 C LEU A 67 109.492 -2.500 -0.802 1.00 0.00 C ATOM 1078 O LEU A 67 108.396 -1.977 -0.816 1.00 0.00 O ATOM 1079 CB LEU A 67 108.519 -4.740 -0.276 1.00 0.00 C ATOM 1080 CG LEU A 67 108.513 -5.300 -1.698 1.00 0.00 C ATOM 1081 CD1 LEU A 67 108.692 -6.818 -1.649 1.00 0.00 C ATOM 1082 CD2 LEU A 67 107.180 -4.964 -2.370 1.00 0.00 C ATOM 0 H LEU A 67 109.147 -3.720 1.955 1.00 0.00 H new ATOM 0 HA LEU A 67 110.613 -4.314 -0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 67 108.548 -5.555 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.602 -4.181 -0.090 1.00 0.00 H new ATOM 0 HG LEU A 67 109.330 -4.857 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.688 -7.218 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 67 109.641 -7.057 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 67 107.875 -7.263 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 67 107.173 -5.362 -3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.363 -5.408 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 67 107.052 -3.882 -2.404 1.00 0.00 H new ATOM 1094 N PHE A 68 110.515 -1.958 -1.394 1.00 0.00 N ATOM 1095 CA PHE A 68 110.379 -0.667 -2.115 1.00 0.00 C ATOM 1096 C PHE A 68 109.748 -0.928 -3.483 1.00 0.00 C ATOM 1097 O PHE A 68 110.388 -1.447 -4.372 1.00 0.00 O ATOM 1098 CB PHE A 68 111.776 -0.075 -2.308 1.00 0.00 C ATOM 1099 CG PHE A 68 111.715 1.424 -2.210 1.00 0.00 C ATOM 1100 CD1 PHE A 68 111.100 2.028 -1.109 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.278 2.209 -3.219 1.00 0.00 C ATOM 1102 CE1 PHE A 68 111.047 3.420 -1.017 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.226 3.603 -3.130 1.00 0.00 C ATOM 1104 CZ PHE A 68 111.609 4.211 -2.028 1.00 0.00 C ATOM 0 H PHE A 68 111.452 -2.360 -1.409 1.00 0.00 H new ATOM 0 HA PHE A 68 109.753 0.023 -1.549 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.455 -0.470 -1.553 1.00 0.00 H new ATOM 0 HB3 PHE A 68 112.174 -0.369 -3.279 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.666 1.418 -0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 68 112.753 1.739 -4.067 1.00 0.00 H new ATOM 0 HE1 PHE A 68 110.573 3.887 -0.167 1.00 0.00 H new ATOM 0 HE2 PHE A 68 112.661 4.211 -3.910 1.00 0.00 H new ATOM 0 HZ PHE A 68 111.567 5.288 -1.958 1.00 0.00 H new ATOM 1114 N PHE A 69 108.501 -0.585 -3.669 1.00 0.00 N ATOM 1115 CA PHE A 69 107.869 -0.844 -4.995 1.00 0.00 C ATOM 1116 C PHE A 69 107.235 0.432 -5.552 1.00 0.00 C ATOM 1117 O PHE A 69 106.424 1.076 -4.913 1.00 0.00 O ATOM 1118 CB PHE A 69 106.807 -1.947 -4.867 1.00 0.00 C ATOM 1119 CG PHE A 69 105.596 -1.440 -4.117 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.698 -1.107 -2.763 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.365 -1.314 -4.777 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.572 -0.647 -2.068 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.241 -0.854 -4.081 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.344 -0.520 -2.728 1.00 0.00 C ATOM 0 H PHE A 69 107.901 -0.144 -2.972 1.00 0.00 H new ATOM 0 HA PHE A 69 108.644 -1.174 -5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.510 -2.289 -5.858 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.229 -2.807 -4.347 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.645 -1.204 -2.253 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.284 -1.572 -5.823 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.651 -0.390 -1.022 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.293 -0.757 -4.590 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.477 -0.164 -2.192 1.00 0.00 H new ATOM 1134 N LEU A 70 107.602 0.788 -6.755 1.00 0.00 N ATOM 1135 CA LEU A 70 107.037 2.008 -7.397 1.00 0.00 C ATOM 1136 C LEU A 70 105.778 1.611 -8.170 1.00 0.00 C ATOM 1137 O LEU A 70 105.391 0.460 -8.184 1.00 0.00 O ATOM 1138 CB LEU A 70 108.067 2.583 -8.373 1.00 0.00 C ATOM 1139 CG LEU A 70 108.437 4.009 -7.966 1.00 0.00 C ATOM 1140 CD1 LEU A 70 109.271 3.979 -6.683 1.00 0.00 C ATOM 1141 CD2 LEU A 70 109.254 4.652 -9.089 1.00 0.00 C ATOM 0 H LEU A 70 108.277 0.278 -7.325 1.00 0.00 H new ATOM 0 HA LEU A 70 106.794 2.754 -6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 70 108.959 1.956 -8.384 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.662 2.579 -9.385 1.00 0.00 H new ATOM 0 HG LEU A 70 107.529 4.587 -7.790 1.00 0.00 H new ATOM 0 HD11 LEU A 70 109.533 4.997 -6.396 1.00 0.00 H new ATOM 0 HD12 LEU A 70 108.693 3.514 -5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 70 110.181 3.405 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.522 5.670 -8.807 1.00 0.00 H new ATOM 0 HD22 LEU A 70 110.161 4.071 -9.258 1.00 0.00 H new ATOM 0 HD23 LEU A 70 108.662 4.673 -10.004 1.00 0.00 H new ATOM 1153 N THR A 71 105.131 2.543 -8.816 1.00 0.00 N ATOM 1154 CA THR A 71 103.904 2.182 -9.579 1.00 0.00 C ATOM 1155 C THR A 71 103.661 3.192 -10.707 1.00 0.00 C ATOM 1156 O THR A 71 104.037 4.343 -10.602 1.00 0.00 O ATOM 1157 CB THR A 71 102.707 2.182 -8.634 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.568 3.473 -8.058 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.923 1.146 -7.529 1.00 0.00 C ATOM 0 H THR A 71 105.396 3.528 -8.848 1.00 0.00 H new ATOM 0 HA THR A 71 104.035 1.192 -10.015 1.00 0.00 H new ATOM 0 HB THR A 71 101.803 1.929 -9.188 1.00 0.00 H new ATOM 0 HG1 THR A 71 101.665 3.572 -7.690 1.00 0.00 H new ATOM 0 HG21 THR A 71 102.066 1.148 -6.855 1.00 0.00 H new ATOM 0 HG22 THR A 71 103.032 0.157 -7.974 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.825 1.394 -6.969 1.00 0.00 H new ATOM 1167 N PRO A 72 103.033 2.719 -11.757 1.00 0.00 N ATOM 1168 CA PRO A 72 102.709 3.542 -12.936 1.00 0.00 C ATOM 1169 C PRO A 72 101.475 4.410 -12.664 1.00 0.00 C ATOM 1170 O PRO A 72 101.584 5.523 -12.187 1.00 0.00 O ATOM 1171 CB PRO A 72 102.411 2.506 -14.024 1.00 0.00 C ATOM 1172 CG PRO A 72 102.023 1.201 -13.288 1.00 0.00 C ATOM 1173 CD PRO A 72 102.590 1.314 -11.862 1.00 0.00 C ATOM 0 HA PRO A 72 103.510 4.229 -13.210 1.00 0.00 H new ATOM 0 HB2 PRO A 72 101.601 2.843 -14.670 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.282 2.349 -14.660 1.00 0.00 H new ATOM 0 HG2 PRO A 72 100.940 1.076 -13.266 1.00 0.00 H new ATOM 0 HG3 PRO A 72 102.434 0.331 -13.800 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.834 1.078 -11.113 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.418 0.623 -11.707 1.00 0.00 H new ATOM 1181 N HIS A 73 100.302 3.913 -12.963 1.00 0.00 N ATOM 1182 CA HIS A 73 99.074 4.719 -12.717 1.00 0.00 C ATOM 1183 C HIS A 73 99.093 5.221 -11.270 1.00 0.00 C ATOM 1184 O HIS A 73 99.003 4.457 -10.343 1.00 0.00 O ATOM 1185 CB HIS A 73 97.825 3.857 -12.994 1.00 0.00 C ATOM 1186 CG HIS A 73 97.409 3.071 -11.773 1.00 0.00 C ATOM 1187 ND1 HIS A 73 98.252 2.170 -11.134 1.00 0.00 N ATOM 1188 CD2 HIS A 73 96.227 3.032 -11.075 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.566 1.633 -10.103 1.00 0.00 C ATOM 1190 NE2 HIS A 73 96.328 2.125 -10.025 1.00 0.00 N ATOM 0 H HIS A 73 100.144 2.989 -13.365 1.00 0.00 H new ATOM 0 HA HIS A 73 99.044 5.579 -13.385 1.00 0.00 H new ATOM 0 HB2 HIS A 73 97.003 4.498 -13.312 1.00 0.00 H new ATOM 0 HB3 HIS A 73 98.031 3.171 -13.816 1.00 0.00 H new ATOM 0 HD2 HIS A 73 95.350 3.618 -11.307 1.00 0.00 H new ATOM 0 HE1 HIS A 73 97.969 0.896 -9.425 1.00 0.00 H new ATOM 0 HE2 HIS A 73 95.609 1.887 -9.342 1.00 0.00 H new ATOM 1198 N ARG A 74 99.240 6.501 -11.076 1.00 0.00 N ATOM 1199 CA ARG A 74 99.297 7.048 -9.687 1.00 0.00 C ATOM 1200 C ARG A 74 98.079 6.593 -8.875 1.00 0.00 C ATOM 1201 O ARG A 74 96.968 6.563 -9.364 1.00 0.00 O ATOM 1202 CB ARG A 74 99.317 8.577 -9.747 1.00 0.00 C ATOM 1203 CG ARG A 74 100.757 9.063 -9.918 1.00 0.00 C ATOM 1204 CD ARG A 74 100.756 10.564 -10.213 1.00 0.00 C ATOM 1205 NE ARG A 74 101.602 11.270 -9.210 1.00 0.00 N ATOM 1206 CZ ARG A 74 102.396 12.232 -9.588 1.00 0.00 C ATOM 1207 NH1 ARG A 74 101.952 13.172 -10.379 1.00 0.00 N ATOM 1208 NH2 ARG A 74 103.634 12.257 -9.176 1.00 0.00 N ATOM 0 H ARG A 74 99.324 7.195 -11.819 1.00 0.00 H new ATOM 0 HA ARG A 74 100.200 6.677 -9.203 1.00 0.00 H new ATOM 0 HB2 ARG A 74 98.703 8.927 -10.577 1.00 0.00 H new ATOM 0 HB3 ARG A 74 98.888 8.993 -8.835 1.00 0.00 H new ATOM 0 HG2 ARG A 74 101.331 8.859 -9.014 1.00 0.00 H new ATOM 0 HG3 ARG A 74 101.241 8.522 -10.731 1.00 0.00 H new ATOM 0 HD2 ARG A 74 101.136 10.748 -11.218 1.00 0.00 H new ATOM 0 HD3 ARG A 74 99.737 10.951 -10.181 1.00 0.00 H new ATOM 0 HE ARG A 74 101.560 11.000 -8.227 1.00 0.00 H new ATOM 0 HH11 ARG A 74 100.984 13.153 -10.701 1.00 0.00 H new ATOM 0 HH12 ARG A 74 102.573 13.925 -10.675 1.00 0.00 H new ATOM 0 HH21 ARG A 74 103.981 11.523 -8.558 1.00 0.00 H new ATOM 0 HH22 ARG A 74 104.255 13.010 -9.472 1.00 0.00 H new ATOM 1222 N HIS A 75 98.283 6.257 -7.625 1.00 0.00 N ATOM 1223 CA HIS A 75 97.140 5.824 -6.766 1.00 0.00 C ATOM 1224 C HIS A 75 97.068 6.719 -5.534 1.00 0.00 C ATOM 1225 O HIS A 75 97.661 7.779 -5.476 1.00 0.00 O ATOM 1226 CB HIS A 75 97.322 4.384 -6.270 1.00 0.00 C ATOM 1227 CG HIS A 75 98.475 3.712 -6.953 1.00 0.00 C ATOM 1228 ND1 HIS A 75 98.446 3.383 -8.291 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.678 3.257 -6.481 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.600 2.749 -8.576 1.00 0.00 C ATOM 1231 NE2 HIS A 75 100.383 2.647 -7.505 1.00 0.00 N ATOM 0 H HIS A 75 99.192 6.264 -7.163 1.00 0.00 H new ATOM 0 HA HIS A 75 96.234 5.891 -7.369 1.00 0.00 H new ATOM 0 HB2 HIS A 75 97.487 4.387 -5.193 1.00 0.00 H new ATOM 0 HB3 HIS A 75 96.409 3.817 -6.451 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.690 3.583 -8.945 1.00 0.00 H new ATOM 0 HD2 HIS A 75 100.024 3.359 -5.463 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.858 2.370 -9.554 1.00 0.00 H new ATOM 1239 N ARG A 76 96.364 6.271 -4.535 1.00 0.00 N ATOM 1240 CA ARG A 76 96.257 7.047 -3.275 1.00 0.00 C ATOM 1241 C ARG A 76 96.774 6.163 -2.140 1.00 0.00 C ATOM 1242 O ARG A 76 96.411 5.009 -2.032 1.00 0.00 O ATOM 1243 CB ARG A 76 94.795 7.417 -3.015 1.00 0.00 C ATOM 1244 CG ARG A 76 94.468 8.740 -3.712 1.00 0.00 C ATOM 1245 CD ARG A 76 93.032 9.151 -3.381 1.00 0.00 C ATOM 1246 NE ARG A 76 92.454 9.909 -4.526 1.00 0.00 N ATOM 1247 CZ ARG A 76 91.587 10.860 -4.310 1.00 0.00 C ATOM 1248 NH1 ARG A 76 90.968 10.930 -3.164 1.00 0.00 N ATOM 1249 NH2 ARG A 76 91.340 11.743 -5.240 1.00 0.00 N ATOM 0 H ARG A 76 95.852 5.389 -4.540 1.00 0.00 H new ATOM 0 HA ARG A 76 96.840 7.966 -3.342 1.00 0.00 H new ATOM 0 HB2 ARG A 76 94.139 6.628 -3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 76 94.617 7.505 -1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 76 95.163 9.515 -3.388 1.00 0.00 H new ATOM 0 HG3 ARG A 76 94.588 8.634 -4.790 1.00 0.00 H new ATOM 0 HD2 ARG A 76 92.428 8.267 -3.175 1.00 0.00 H new ATOM 0 HD3 ARG A 76 93.017 9.765 -2.480 1.00 0.00 H new ATOM 0 HE ARG A 76 92.736 9.684 -5.480 1.00 0.00 H new ATOM 0 HH11 ARG A 76 91.162 10.241 -2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 76 90.290 11.673 -2.995 1.00 0.00 H new ATOM 0 HH21 ARG A 76 91.825 11.689 -6.136 1.00 0.00 H new ATOM 0 HH22 ARG A 76 90.662 12.486 -5.071 1.00 0.00 H new ATOM 1263 N VAL A 77 97.623 6.679 -1.298 1.00 0.00 N ATOM 1264 CA VAL A 77 98.155 5.840 -0.189 1.00 0.00 C ATOM 1265 C VAL A 77 97.001 5.084 0.482 1.00 0.00 C ATOM 1266 O VAL A 77 97.202 4.059 1.101 1.00 0.00 O ATOM 1267 CB VAL A 77 98.879 6.731 0.824 1.00 0.00 C ATOM 1268 CG1 VAL A 77 99.010 6.004 2.166 1.00 0.00 C ATOM 1269 CG2 VAL A 77 100.275 7.048 0.284 1.00 0.00 C ATOM 0 H VAL A 77 97.970 7.638 -1.328 1.00 0.00 H new ATOM 0 HA VAL A 77 98.864 5.113 -0.584 1.00 0.00 H new ATOM 0 HB VAL A 77 98.311 7.649 0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 77 99.526 6.647 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 77 98.018 5.763 2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 77 99.579 5.085 2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 77 100.805 7.683 0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 77 100.830 6.120 0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 77 100.187 7.567 -0.670 1.00 0.00 H new ATOM 1279 N SER A 78 95.797 5.572 0.356 1.00 0.00 N ATOM 1280 CA SER A 78 94.643 4.862 0.975 1.00 0.00 C ATOM 1281 C SER A 78 94.328 3.609 0.151 1.00 0.00 C ATOM 1282 O SER A 78 94.155 2.531 0.683 1.00 0.00 O ATOM 1283 CB SER A 78 93.421 5.784 0.988 1.00 0.00 C ATOM 1284 OG SER A 78 93.106 6.164 -0.345 1.00 0.00 O ATOM 0 H SER A 78 95.564 6.428 -0.147 1.00 0.00 H new ATOM 0 HA SER A 78 94.891 4.579 1.998 1.00 0.00 H new ATOM 0 HB2 SER A 78 92.572 5.275 1.444 1.00 0.00 H new ATOM 0 HB3 SER A 78 93.624 6.668 1.592 1.00 0.00 H new ATOM 0 HG SER A 78 92.323 6.753 -0.341 1.00 0.00 H new ATOM 1290 N ALA A 79 94.262 3.744 -1.148 1.00 0.00 N ATOM 1291 CA ALA A 79 93.967 2.563 -2.011 1.00 0.00 C ATOM 1292 C ALA A 79 95.087 1.531 -1.860 1.00 0.00 C ATOM 1293 O ALA A 79 94.852 0.393 -1.506 1.00 0.00 O ATOM 1294 CB ALA A 79 93.877 3.009 -3.472 1.00 0.00 C ATOM 0 H ALA A 79 94.400 4.622 -1.648 1.00 0.00 H new ATOM 0 HA ALA A 79 93.019 2.118 -1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.662 2.147 -4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.080 3.745 -3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.825 3.453 -3.776 1.00 0.00 H new ATOM 1300 N ILE A 80 96.306 1.922 -2.117 1.00 0.00 N ATOM 1301 CA ILE A 80 97.441 0.967 -1.976 1.00 0.00 C ATOM 1302 C ILE A 80 97.425 0.405 -0.555 1.00 0.00 C ATOM 1303 O ILE A 80 97.632 -0.773 -0.336 1.00 0.00 O ATOM 1304 CB ILE A 80 98.761 1.704 -2.217 1.00 0.00 C ATOM 1305 CG1 ILE A 80 98.818 2.196 -3.675 1.00 0.00 C ATOM 1306 CG2 ILE A 80 99.938 0.764 -1.925 1.00 0.00 C ATOM 1307 CD1 ILE A 80 99.364 1.095 -4.593 1.00 0.00 C ATOM 0 H ILE A 80 96.564 2.862 -2.418 1.00 0.00 H new ATOM 0 HA ILE A 80 97.345 0.159 -2.702 1.00 0.00 H new ATOM 0 HB ILE A 80 98.826 2.565 -1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 80 97.822 2.491 -4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 80 99.451 3.081 -3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 80 100.876 1.291 -2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 80 99.892 0.435 -0.887 1.00 0.00 H new ATOM 0 HG23 ILE A 80 99.883 -0.103 -2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 80 99.397 1.460 -5.619 1.00 0.00 H new ATOM 0 HD12 ILE A 80 100.369 0.820 -4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.714 0.221 -4.540 1.00 0.00 H new ATOM 1319 N ASN A 81 97.168 1.244 0.411 1.00 0.00 N ATOM 1320 CA ASN A 81 97.124 0.773 1.822 1.00 0.00 C ATOM 1321 C ASN A 81 96.110 -0.365 1.933 1.00 0.00 C ATOM 1322 O ASN A 81 96.292 -1.300 2.686 1.00 0.00 O ATOM 1323 CB ASN A 81 96.696 1.929 2.729 1.00 0.00 C ATOM 1324 CG ASN A 81 96.418 1.397 4.136 1.00 0.00 C ATOM 1325 OD1 ASN A 81 97.323 1.248 4.932 1.00 0.00 O ATOM 1326 ND2 ASN A 81 95.194 1.102 4.478 1.00 0.00 N ATOM 0 H ASN A 81 96.986 2.239 0.282 1.00 0.00 H new ATOM 0 HA ASN A 81 98.109 0.420 2.127 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.478 2.687 2.763 1.00 0.00 H new ATOM 0 HB3 ASN A 81 95.804 2.409 2.327 1.00 0.00 H new ATOM 0 HD21 ASN A 81 94.998 0.746 5.414 1.00 0.00 H new ATOM 0 HD22 ASN A 81 94.434 1.227 3.810 1.00 0.00 H new ATOM 1333 N ASN A 82 95.047 -0.295 1.181 1.00 0.00 N ATOM 1334 CA ASN A 82 94.024 -1.375 1.235 1.00 0.00 C ATOM 1335 C ASN A 82 94.673 -2.699 0.828 1.00 0.00 C ATOM 1336 O ASN A 82 94.381 -3.740 1.381 1.00 0.00 O ATOM 1337 CB ASN A 82 92.884 -1.052 0.267 1.00 0.00 C ATOM 1338 CG ASN A 82 92.371 0.365 0.536 1.00 0.00 C ATOM 1339 OD1 ASN A 82 92.598 0.914 1.595 1.00 0.00 O ATOM 1340 ND2 ASN A 82 91.687 0.982 -0.388 1.00 0.00 N ATOM 0 H ASN A 82 94.843 0.464 0.531 1.00 0.00 H new ATOM 0 HA ASN A 82 93.627 -1.452 2.247 1.00 0.00 H new ATOM 0 HB2 ASN A 82 93.233 -1.135 -0.762 1.00 0.00 H new ATOM 0 HB3 ASN A 82 92.075 -1.772 0.388 1.00 0.00 H new ATOM 0 HD21 ASN A 82 91.342 1.927 -0.221 1.00 0.00 H new ATOM 0 HD22 ASN A 82 91.497 0.519 -1.277 1.00 0.00 H new ATOM 1347 N TYR A 83 95.558 -2.668 -0.134 1.00 0.00 N ATOM 1348 CA TYR A 83 96.223 -3.929 -0.568 1.00 0.00 C ATOM 1349 C TYR A 83 97.245 -4.351 0.488 1.00 0.00 C ATOM 1350 O TYR A 83 97.077 -5.348 1.163 1.00 0.00 O ATOM 1351 CB TYR A 83 96.938 -3.708 -1.902 1.00 0.00 C ATOM 1352 CG TYR A 83 97.622 -4.990 -2.311 1.00 0.00 C ATOM 1353 CD1 TYR A 83 96.960 -6.212 -2.153 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.916 -4.959 -2.843 1.00 0.00 C ATOM 1355 CE1 TYR A 83 97.589 -7.402 -2.527 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.546 -6.150 -3.216 1.00 0.00 C ATOM 1357 CZ TYR A 83 98.882 -7.372 -3.058 1.00 0.00 C ATOM 1358 OH TYR A 83 99.500 -8.547 -3.425 1.00 0.00 O ATOM 0 H TYR A 83 95.847 -1.828 -0.635 1.00 0.00 H new ATOM 0 HA TYR A 83 95.471 -4.709 -0.688 1.00 0.00 H new ATOM 0 HB2 TYR A 83 96.223 -3.402 -2.666 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.669 -2.904 -1.809 1.00 0.00 H new ATOM 0 HD1 TYR A 83 95.962 -6.236 -1.742 1.00 0.00 H new ATOM 0 HD2 TYR A 83 99.428 -4.016 -2.965 1.00 0.00 H new ATOM 0 HE1 TYR A 83 97.077 -8.345 -2.406 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.545 -6.127 -3.626 1.00 0.00 H new ATOM 0 HH TYR A 83 100.243 -8.731 -2.813 1.00 0.00 H new ATOM 1368 N ALA A 84 98.303 -3.603 0.639 1.00 0.00 N ATOM 1369 CA ALA A 84 99.330 -3.965 1.656 1.00 0.00 C ATOM 1370 C ALA A 84 98.632 -4.360 2.957 1.00 0.00 C ATOM 1371 O ALA A 84 99.151 -5.127 3.745 1.00 0.00 O ATOM 1372 CB ALA A 84 100.242 -2.762 1.910 1.00 0.00 C ATOM 0 H ALA A 84 98.501 -2.758 0.103 1.00 0.00 H new ATOM 0 HA ALA A 84 99.927 -4.801 1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 84 100.994 -3.026 2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 84 100.735 -2.477 0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 84 99.647 -1.925 2.276 1.00 0.00 H new ATOM 1378 N GLN A 85 97.455 -3.846 3.186 1.00 0.00 N ATOM 1379 CA GLN A 85 96.717 -4.193 4.432 1.00 0.00 C ATOM 1380 C GLN A 85 96.272 -5.652 4.358 1.00 0.00 C ATOM 1381 O GLN A 85 96.492 -6.426 5.270 1.00 0.00 O ATOM 1382 CB GLN A 85 95.488 -3.292 4.569 1.00 0.00 C ATOM 1383 CG GLN A 85 95.824 -2.101 5.467 1.00 0.00 C ATOM 1384 CD GLN A 85 95.920 -2.570 6.920 1.00 0.00 C ATOM 1385 OE1 GLN A 85 97.061 -3.009 7.376 1.00 0.00 O flip ATOM 1386 NE2 GLN A 85 94.948 -2.539 7.647 1.00 0.00 N flip ATOM 0 H GLN A 85 96.972 -3.199 2.562 1.00 0.00 H new ATOM 0 HA GLN A 85 97.367 -4.048 5.295 1.00 0.00 H new ATOM 0 HB2 GLN A 85 95.170 -2.942 3.587 1.00 0.00 H new ATOM 0 HB3 GLN A 85 94.656 -3.856 4.991 1.00 0.00 H new ATOM 0 HG2 GLN A 85 96.767 -1.651 5.156 1.00 0.00 H new ATOM 0 HG3 GLN A 85 95.057 -1.332 5.372 1.00 0.00 H new ATOM 0 HE21 GLN A 85 94.056 -2.196 7.291 1.00 0.00 H new ATOM 0 HE22 GLN A 85 95.024 -2.856 8.614 1.00 0.00 H new ATOM 1395 N LYS A 86 95.660 -6.041 3.274 1.00 0.00 N ATOM 1396 CA LYS A 86 95.218 -7.454 3.139 1.00 0.00 C ATOM 1397 C LYS A 86 96.450 -8.356 3.199 1.00 0.00 C ATOM 1398 O LYS A 86 96.354 -9.551 3.400 1.00 0.00 O ATOM 1399 CB LYS A 86 94.505 -7.643 1.799 1.00 0.00 C ATOM 1400 CG LYS A 86 93.026 -7.949 2.043 1.00 0.00 C ATOM 1401 CD LYS A 86 92.184 -7.330 0.926 1.00 0.00 C ATOM 1402 CE LYS A 86 92.354 -5.810 0.939 1.00 0.00 C ATOM 1403 NZ LYS A 86 91.104 -5.174 1.446 1.00 0.00 N ATOM 0 H LYS A 86 95.448 -5.441 2.477 1.00 0.00 H new ATOM 0 HA LYS A 86 94.530 -7.710 3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 86 94.605 -6.743 1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 86 94.968 -8.457 1.241 1.00 0.00 H new ATOM 0 HG2 LYS A 86 92.868 -9.027 2.077 1.00 0.00 H new ATOM 0 HG3 LYS A 86 92.716 -7.551 3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 86 92.490 -7.732 -0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 86 91.134 -7.590 1.061 1.00 0.00 H new ATOM 0 HE2 LYS A 86 93.198 -5.533 1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 86 92.576 -5.450 -0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 91.219 -4.140 1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 90.309 -5.428 0.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 90.911 -5.509 2.411 1.00 0.00 H new ATOM 1417 N LEU A 87 97.609 -7.782 3.025 1.00 0.00 N ATOM 1418 CA LEU A 87 98.858 -8.587 3.069 1.00 0.00 C ATOM 1419 C LEU A 87 99.411 -8.585 4.495 1.00 0.00 C ATOM 1420 O LEU A 87 100.592 -8.768 4.716 1.00 0.00 O ATOM 1421 CB LEU A 87 99.883 -7.969 2.116 1.00 0.00 C ATOM 1422 CG LEU A 87 99.313 -7.975 0.697 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.897 -6.807 -0.101 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.680 -9.294 0.018 1.00 0.00 C ATOM 0 H LEU A 87 97.743 -6.785 2.854 1.00 0.00 H new ATOM 0 HA LEU A 87 98.651 -9.613 2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.116 -6.950 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.815 -8.533 2.149 1.00 0.00 H new ATOM 0 HG LEU A 87 98.229 -7.870 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 87 99.488 -6.816 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 87 99.638 -5.867 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.982 -6.905 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 87 99.277 -9.306 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.765 -9.393 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 87 99.260 -10.125 0.586 1.00 0.00 H new ATOM 1436 N CYS A 88 98.563 -8.379 5.466 1.00 0.00 N ATOM 1437 CA CYS A 88 99.031 -8.364 6.880 1.00 0.00 C ATOM 1438 C CYS A 88 98.205 -9.358 7.701 1.00 0.00 C ATOM 1439 O CYS A 88 98.175 -9.303 8.914 1.00 0.00 O ATOM 1440 CB CYS A 88 98.860 -6.957 7.456 1.00 0.00 C ATOM 1441 SG CYS A 88 99.640 -6.873 9.087 1.00 0.00 S ATOM 0 H CYS A 88 97.563 -8.220 5.340 1.00 0.00 H new ATOM 0 HA CYS A 88 100.083 -8.648 6.920 1.00 0.00 H new ATOM 0 HB2 CYS A 88 99.309 -6.222 6.788 1.00 0.00 H new ATOM 0 HB3 CYS A 88 97.801 -6.711 7.535 1.00 0.00 H new ATOM 0 HG CYS A 88 100.454 -7.876 9.231 1.00 0.00 H new ATOM 1447 N THR A 89 97.538 -10.270 7.046 1.00 0.00 N ATOM 1448 CA THR A 89 96.718 -11.271 7.786 1.00 0.00 C ATOM 1449 C THR A 89 97.609 -12.448 8.190 1.00 0.00 C ATOM 1450 O THR A 89 97.259 -13.598 8.005 1.00 0.00 O ATOM 1451 CB THR A 89 95.585 -11.771 6.887 1.00 0.00 C ATOM 1452 OG1 THR A 89 96.135 -12.364 5.719 1.00 0.00 O ATOM 1453 CG2 THR A 89 94.688 -10.597 6.492 1.00 0.00 C ATOM 0 H THR A 89 97.526 -10.365 6.030 1.00 0.00 H new ATOM 0 HA THR A 89 96.292 -10.810 8.677 1.00 0.00 H new ATOM 0 HB THR A 89 94.994 -12.511 7.426 1.00 0.00 H new ATOM 0 HG1 THR A 89 97.113 -12.345 5.772 1.00 0.00 H new ATOM 0 HG21 THR A 89 93.882 -10.955 5.852 1.00 0.00 H new ATOM 0 HG22 THR A 89 94.266 -10.144 7.389 1.00 0.00 H new ATOM 0 HG23 THR A 89 95.277 -9.854 5.953 1.00 0.00 H new ATOM 1461 N PHE A 90 98.759 -12.167 8.738 1.00 0.00 N ATOM 1462 CA PHE A 90 99.678 -13.267 9.152 1.00 0.00 C ATOM 1463 C PHE A 90 100.810 -12.687 10.005 1.00 0.00 C ATOM 1464 O PHE A 90 101.204 -13.257 11.002 1.00 0.00 O ATOM 1465 CB PHE A 90 100.271 -13.953 7.913 1.00 0.00 C ATOM 1466 CG PHE A 90 100.145 -13.053 6.704 1.00 0.00 C ATOM 1467 CD1 PHE A 90 101.113 -12.072 6.454 1.00 0.00 C ATOM 1468 CD2 PHE A 90 99.059 -13.200 5.830 1.00 0.00 C ATOM 1469 CE1 PHE A 90 100.995 -11.239 5.334 1.00 0.00 C ATOM 1470 CE2 PHE A 90 98.943 -12.367 4.710 1.00 0.00 C ATOM 1471 CZ PHE A 90 99.911 -11.388 4.464 1.00 0.00 C ATOM 0 H PHE A 90 99.103 -11.224 8.917 1.00 0.00 H new ATOM 0 HA PHE A 90 99.119 -14.002 9.731 1.00 0.00 H new ATOM 0 HB2 PHE A 90 101.320 -14.193 8.089 1.00 0.00 H new ATOM 0 HB3 PHE A 90 99.755 -14.895 7.729 1.00 0.00 H new ATOM 0 HD1 PHE A 90 101.951 -11.958 7.125 1.00 0.00 H new ATOM 0 HD2 PHE A 90 98.311 -13.956 6.020 1.00 0.00 H new ATOM 0 HE1 PHE A 90 101.741 -10.482 5.143 1.00 0.00 H new ATOM 0 HE2 PHE A 90 98.106 -12.481 4.037 1.00 0.00 H new ATOM 0 HZ PHE A 90 99.821 -10.746 3.600 1.00 0.00 H new ATOM 1481 N SER A 91 101.336 -11.555 9.620 1.00 0.00 N ATOM 1482 CA SER A 91 102.440 -10.937 10.410 1.00 0.00 C ATOM 1483 C SER A 91 102.211 -9.427 10.503 1.00 0.00 C ATOM 1484 O SER A 91 101.288 -8.895 9.922 1.00 0.00 O ATOM 1485 CB SER A 91 103.777 -11.212 9.720 1.00 0.00 C ATOM 1486 OG SER A 91 104.785 -11.394 10.704 1.00 0.00 O ATOM 0 H SER A 91 101.049 -11.032 8.793 1.00 0.00 H new ATOM 0 HA SER A 91 102.457 -11.365 11.412 1.00 0.00 H new ATOM 0 HB2 SER A 91 103.700 -12.101 9.093 1.00 0.00 H new ATOM 0 HB3 SER A 91 104.039 -10.381 9.064 1.00 0.00 H new ATOM 0 HG SER A 91 105.469 -12.007 10.362 1.00 0.00 H new ATOM 1492 N PHE A 92 103.043 -8.729 11.230 1.00 0.00 N ATOM 1493 CA PHE A 92 102.863 -7.255 11.353 1.00 0.00 C ATOM 1494 C PHE A 92 103.123 -6.595 9.994 1.00 0.00 C ATOM 1495 O PHE A 92 103.843 -7.120 9.167 1.00 0.00 O ATOM 1496 CB PHE A 92 103.835 -6.702 12.408 1.00 0.00 C ATOM 1497 CG PHE A 92 105.190 -6.433 11.789 1.00 0.00 C ATOM 1498 CD1 PHE A 92 105.412 -5.241 11.089 1.00 0.00 C ATOM 1499 CD2 PHE A 92 106.220 -7.372 11.913 1.00 0.00 C ATOM 1500 CE1 PHE A 92 106.661 -4.988 10.516 1.00 0.00 C ATOM 1501 CE2 PHE A 92 107.469 -7.120 11.340 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.691 -5.928 10.641 1.00 0.00 C ATOM 0 H PHE A 92 103.836 -9.115 11.742 1.00 0.00 H new ATOM 0 HA PHE A 92 101.842 -7.035 11.666 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.434 -5.782 12.834 1.00 0.00 H new ATOM 0 HB3 PHE A 92 103.937 -7.415 13.226 1.00 0.00 H new ATOM 0 HD1 PHE A 92 104.617 -4.516 10.992 1.00 0.00 H new ATOM 0 HD2 PHE A 92 106.049 -8.292 12.452 1.00 0.00 H new ATOM 0 HE1 PHE A 92 106.832 -4.068 9.977 1.00 0.00 H new ATOM 0 HE2 PHE A 92 108.263 -7.845 11.436 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.657 -5.733 10.198 1.00 0.00 H new ATOM 1512 N LEU A 93 102.545 -5.449 9.756 1.00 0.00 N ATOM 1513 CA LEU A 93 102.765 -4.764 8.452 1.00 0.00 C ATOM 1514 C LEU A 93 102.887 -3.256 8.676 1.00 0.00 C ATOM 1515 O LEU A 93 102.090 -2.654 9.367 1.00 0.00 O ATOM 1516 CB LEU A 93 101.585 -5.047 7.519 1.00 0.00 C ATOM 1517 CG LEU A 93 101.839 -4.385 6.165 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.376 -5.320 5.046 1.00 0.00 C ATOM 1519 CD2 LEU A 93 101.061 -3.071 6.085 1.00 0.00 C ATOM 0 H LEU A 93 101.931 -4.959 10.407 1.00 0.00 H new ATOM 0 HA LEU A 93 103.684 -5.138 8.000 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.457 -6.122 7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.662 -4.665 7.956 1.00 0.00 H new ATOM 0 HG LEU A 93 102.904 -4.183 6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.557 -4.849 4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 93 101.930 -6.257 5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.311 -5.521 5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 93 101.242 -2.599 5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.995 -3.272 6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 93 101.390 -2.404 6.882 1.00 0.00 H new ATOM 1531 N ILE A 94 103.879 -2.642 8.091 1.00 0.00 N ATOM 1532 CA ILE A 94 104.053 -1.173 8.266 1.00 0.00 C ATOM 1533 C ILE A 94 104.351 -0.535 6.908 1.00 0.00 C ATOM 1534 O ILE A 94 105.451 -0.088 6.651 1.00 0.00 O ATOM 1535 CB ILE A 94 105.217 -0.905 9.222 1.00 0.00 C ATOM 1536 CG1 ILE A 94 105.088 -1.812 10.447 1.00 0.00 C ATOM 1537 CG2 ILE A 94 105.186 0.558 9.667 1.00 0.00 C ATOM 1538 CD1 ILE A 94 106.469 -2.031 11.065 1.00 0.00 C ATOM 0 H ILE A 94 104.576 -3.094 7.500 1.00 0.00 H new ATOM 0 HA ILE A 94 103.140 -0.744 8.680 1.00 0.00 H new ATOM 0 HB ILE A 94 106.159 -1.110 8.714 1.00 0.00 H new ATOM 0 HG12 ILE A 94 104.418 -1.360 11.178 1.00 0.00 H new ATOM 0 HG13 ILE A 94 104.650 -2.768 10.161 1.00 0.00 H new ATOM 0 HG21 ILE A 94 106.015 0.749 10.348 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.276 1.206 8.795 1.00 0.00 H new ATOM 0 HG23 ILE A 94 104.244 0.764 10.176 1.00 0.00 H new ATOM 0 HD11 ILE A 94 106.379 -2.677 11.938 1.00 0.00 H new ATOM 0 HD12 ILE A 94 107.125 -2.501 10.332 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.889 -1.071 11.366 1.00 0.00 H new ATOM 1550 N CYS A 95 103.381 -0.494 6.036 1.00 0.00 N ATOM 1551 CA CYS A 95 103.611 0.113 4.695 1.00 0.00 C ATOM 1552 C CYS A 95 103.281 1.607 4.751 1.00 0.00 C ATOM 1553 O CYS A 95 102.325 2.017 5.377 1.00 0.00 O ATOM 1554 CB CYS A 95 102.708 -0.571 3.668 1.00 0.00 C ATOM 1555 SG CYS A 95 102.786 0.332 2.101 1.00 0.00 S ATOM 0 H CYS A 95 102.440 -0.854 6.194 1.00 0.00 H new ATOM 0 HA CYS A 95 104.654 -0.018 4.407 1.00 0.00 H new ATOM 0 HB2 CYS A 95 103.024 -1.604 3.521 1.00 0.00 H new ATOM 0 HB3 CYS A 95 101.681 -0.600 4.033 1.00 0.00 H new ATOM 0 HG CYS A 95 102.020 -0.250 1.226 1.00 0.00 H new ATOM 1561 N LYS A 96 104.065 2.423 4.100 1.00 0.00 N ATOM 1562 CA LYS A 96 103.792 3.889 4.120 1.00 0.00 C ATOM 1563 C LYS A 96 104.123 4.492 2.754 1.00 0.00 C ATOM 1564 O LYS A 96 104.920 3.961 2.007 1.00 0.00 O ATOM 1565 CB LYS A 96 104.657 4.556 5.193 1.00 0.00 C ATOM 1566 CG LYS A 96 103.792 4.903 6.407 1.00 0.00 C ATOM 1567 CD LYS A 96 104.146 6.308 6.901 1.00 0.00 C ATOM 1568 CE LYS A 96 104.396 6.272 8.410 1.00 0.00 C ATOM 1569 NZ LYS A 96 105.194 7.465 8.812 1.00 0.00 N ATOM 0 H LYS A 96 104.880 2.139 3.557 1.00 0.00 H new ATOM 0 HA LYS A 96 102.739 4.056 4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 96 105.466 3.888 5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 96 105.119 5.459 4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 96 102.736 4.855 6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 96 103.953 4.175 7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 96 105.033 6.674 6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 96 103.335 7.000 6.673 1.00 0.00 H new ATOM 0 HE2 LYS A 96 103.447 6.259 8.946 1.00 0.00 H new ATOM 0 HE3 LYS A 96 104.927 5.359 8.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 106.031 7.158 9.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 105.497 7.982 7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 104.611 8.088 9.407 1.00 0.00 H new ATOM 1583 N GLY A 97 103.521 5.602 2.421 1.00 0.00 N ATOM 1584 CA GLY A 97 103.806 6.239 1.106 1.00 0.00 C ATOM 1585 C GLY A 97 105.220 6.820 1.122 1.00 0.00 C ATOM 1586 O GLY A 97 105.862 6.887 2.152 1.00 0.00 O ATOM 0 H GLY A 97 102.844 6.094 3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.711 5.505 0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 97 103.079 7.026 0.905 1.00 0.00 H new ATOM 1590 N VAL A 98 105.713 7.239 -0.009 1.00 0.00 N ATOM 1591 CA VAL A 98 107.087 7.813 -0.053 1.00 0.00 C ATOM 1592 C VAL A 98 107.041 9.198 -0.698 1.00 0.00 C ATOM 1593 O VAL A 98 106.553 9.366 -1.798 1.00 0.00 O ATOM 1594 CB VAL A 98 107.996 6.897 -0.873 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.416 7.465 -0.891 1.00 0.00 C ATOM 1596 CG2 VAL A 98 108.015 5.503 -0.242 1.00 0.00 C ATOM 0 H VAL A 98 105.225 7.209 -0.904 1.00 0.00 H new ATOM 0 HA VAL A 98 107.478 7.898 0.961 1.00 0.00 H new ATOM 0 HB VAL A 98 107.619 6.832 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.062 6.811 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.405 8.459 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.794 7.531 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.663 4.848 -0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.392 5.571 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 98 107.004 5.096 -0.229 1.00 0.00 H new ATOM 1606 N ASN A 99 107.549 10.193 -0.023 1.00 0.00 N ATOM 1607 CA ASN A 99 107.537 11.566 -0.600 1.00 0.00 C ATOM 1608 C ASN A 99 108.727 11.725 -1.548 1.00 0.00 C ATOM 1609 O ASN A 99 108.715 12.545 -2.445 1.00 0.00 O ATOM 1610 CB ASN A 99 107.642 12.595 0.529 1.00 0.00 C ATOM 1611 CG ASN A 99 106.615 13.707 0.307 1.00 0.00 C ATOM 1612 OD1 ASN A 99 106.974 14.849 0.101 1.00 0.00 O ATOM 1613 ND2 ASN A 99 105.342 13.420 0.340 1.00 0.00 N ATOM 0 H ASN A 99 107.971 10.114 0.902 1.00 0.00 H new ATOM 0 HA ASN A 99 106.609 11.725 -1.149 1.00 0.00 H new ATOM 0 HB2 ASN A 99 107.469 12.113 1.491 1.00 0.00 H new ATOM 0 HB3 ASN A 99 108.647 13.015 0.559 1.00 0.00 H new ATOM 0 HD21 ASN A 99 104.650 14.154 0.193 1.00 0.00 H new ATOM 0 HD22 ASN A 99 105.040 12.461 0.513 1.00 0.00 H new ATOM 1620 N LYS A 100 109.754 10.943 -1.356 1.00 0.00 N ATOM 1621 CA LYS A 100 110.944 11.042 -2.244 1.00 0.00 C ATOM 1622 C LYS A 100 111.415 9.635 -2.617 1.00 0.00 C ATOM 1623 O LYS A 100 111.932 8.906 -1.794 1.00 0.00 O ATOM 1624 CB LYS A 100 112.067 11.780 -1.512 1.00 0.00 C ATOM 1625 CG LYS A 100 112.733 12.772 -2.467 1.00 0.00 C ATOM 1626 CD LYS A 100 113.443 13.860 -1.658 1.00 0.00 C ATOM 1627 CE LYS A 100 113.088 15.233 -2.228 1.00 0.00 C ATOM 1628 NZ LYS A 100 114.045 15.581 -3.317 1.00 0.00 N ATOM 0 H LYS A 100 109.819 10.239 -0.621 1.00 0.00 H new ATOM 0 HA LYS A 100 110.681 11.590 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.666 12.306 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.803 11.067 -1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 100 113.448 12.254 -3.106 1.00 0.00 H new ATOM 0 HG3 LYS A 100 111.986 13.220 -3.122 1.00 0.00 H new ATOM 0 HD2 LYS A 100 113.146 13.801 -0.611 1.00 0.00 H new ATOM 0 HD3 LYS A 100 114.522 13.708 -1.692 1.00 0.00 H new ATOM 0 HE2 LYS A 100 112.068 15.226 -2.614 1.00 0.00 H new ATOM 0 HE3 LYS A 100 113.126 15.986 -1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 113.804 16.515 -3.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 115.012 15.604 -2.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 113.987 14.867 -4.071 1.00 0.00 H new ATOM 1642 N GLU A 101 111.237 9.245 -3.849 1.00 0.00 N ATOM 1643 CA GLU A 101 111.669 7.888 -4.271 1.00 0.00 C ATOM 1644 C GLU A 101 113.198 7.818 -4.298 1.00 0.00 C ATOM 1645 O GLU A 101 113.816 7.273 -3.408 1.00 0.00 O ATOM 1646 CB GLU A 101 111.113 7.601 -5.666 1.00 0.00 C ATOM 1647 CG GLU A 101 109.599 7.810 -5.666 1.00 0.00 C ATOM 1648 CD GLU A 101 109.274 9.178 -6.270 1.00 0.00 C ATOM 1649 OE1 GLU A 101 110.029 9.624 -7.118 1.00 0.00 O ATOM 1650 OE2 GLU A 101 108.274 9.756 -5.874 1.00 0.00 O ATOM 0 H GLU A 101 110.810 9.811 -4.582 1.00 0.00 H new ATOM 0 HA GLU A 101 111.293 7.146 -3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 101 111.581 8.259 -6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 101 111.349 6.578 -5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 101 109.112 7.022 -6.240 1.00 0.00 H new ATOM 0 HG3 GLU A 101 109.212 7.748 -4.649 1.00 0.00 H new ATOM 1657 N TYR A 102 113.808 8.361 -5.316 1.00 0.00 N ATOM 1658 CA TYR A 102 115.299 8.326 -5.415 1.00 0.00 C ATOM 1659 C TYR A 102 115.935 8.547 -4.036 1.00 0.00 C ATOM 1660 O TYR A 102 116.955 7.971 -3.719 1.00 0.00 O ATOM 1661 CB TYR A 102 115.769 9.430 -6.366 1.00 0.00 C ATOM 1662 CG TYR A 102 117.218 9.199 -6.727 1.00 0.00 C ATOM 1663 CD1 TYR A 102 118.233 9.750 -5.936 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.545 8.434 -7.852 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.576 9.535 -6.270 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.888 8.219 -8.186 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.903 8.769 -7.395 1.00 0.00 C ATOM 1668 OH TYR A 102 121.226 8.557 -7.724 1.00 0.00 O ATOM 0 H TYR A 102 113.337 8.831 -6.089 1.00 0.00 H new ATOM 0 HA TYR A 102 115.602 7.350 -5.793 1.00 0.00 H new ATOM 0 HB2 TYR A 102 115.155 9.435 -7.267 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.651 10.406 -5.894 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.980 10.341 -5.068 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.762 8.009 -8.463 1.00 0.00 H new ATOM 0 HE1 TYR A 102 120.359 9.960 -5.660 1.00 0.00 H new ATOM 0 HE2 TYR A 102 119.140 7.629 -9.054 1.00 0.00 H new ATOM 0 HH TYR A 102 121.278 8.004 -8.531 1.00 0.00 H new ATOM 1678 N LEU A 103 115.351 9.382 -3.219 1.00 0.00 N ATOM 1679 CA LEU A 103 115.937 9.639 -1.873 1.00 0.00 C ATOM 1680 C LEU A 103 115.747 8.424 -0.964 1.00 0.00 C ATOM 1681 O LEU A 103 116.695 7.745 -0.623 1.00 0.00 O ATOM 1682 CB LEU A 103 115.255 10.849 -1.249 1.00 0.00 C ATOM 1683 CG LEU A 103 116.315 11.913 -0.980 1.00 0.00 C ATOM 1684 CD1 LEU A 103 117.262 11.421 0.111 1.00 0.00 C ATOM 1685 CD2 LEU A 103 117.114 12.168 -2.257 1.00 0.00 C ATOM 0 H LEU A 103 114.495 9.896 -3.426 1.00 0.00 H new ATOM 0 HA LEU A 103 117.004 9.830 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.488 11.239 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 103 114.756 10.567 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 103 115.830 12.835 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 103 118.020 12.180 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 103 116.698 11.231 1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 103 117.746 10.500 -0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 103 117.872 12.928 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.598 11.244 -2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 103 116.443 12.514 -3.043 1.00 0.00 H new ATOM 1697 N MET A 104 114.535 8.154 -0.557 1.00 0.00 N ATOM 1698 CA MET A 104 114.283 6.990 0.343 1.00 0.00 C ATOM 1699 C MET A 104 115.144 5.800 -0.087 1.00 0.00 C ATOM 1700 O MET A 104 115.817 5.188 0.718 1.00 0.00 O ATOM 1701 CB MET A 104 112.806 6.599 0.266 1.00 0.00 C ATOM 1702 CG MET A 104 112.555 5.377 1.154 1.00 0.00 C ATOM 1703 SD MET A 104 111.054 5.640 2.130 1.00 0.00 S ATOM 1704 CE MET A 104 111.408 4.428 3.426 1.00 0.00 C ATOM 0 H MET A 104 113.706 8.691 -0.810 1.00 0.00 H new ATOM 0 HA MET A 104 114.539 7.267 1.366 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.181 7.431 0.589 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.531 6.376 -0.765 1.00 0.00 H new ATOM 0 HG2 MET A 104 112.450 4.483 0.540 1.00 0.00 H new ATOM 0 HG3 MET A 104 113.407 5.212 1.814 1.00 0.00 H new ATOM 0 HE1 MET A 104 110.555 3.760 3.542 1.00 0.00 H new ATOM 0 HE2 MET A 104 112.288 3.847 3.151 1.00 0.00 H new ATOM 0 HE3 MET A 104 111.595 4.946 4.367 1.00 0.00 H new ATOM 1714 N TYR A 105 115.128 5.468 -1.347 1.00 0.00 N ATOM 1715 CA TYR A 105 115.945 4.318 -1.823 1.00 0.00 C ATOM 1716 C TYR A 105 117.429 4.612 -1.594 1.00 0.00 C ATOM 1717 O TYR A 105 118.176 3.769 -1.138 1.00 0.00 O ATOM 1718 CB TYR A 105 115.693 4.094 -3.313 1.00 0.00 C ATOM 1719 CG TYR A 105 116.674 3.071 -3.830 1.00 0.00 C ATOM 1720 CD1 TYR A 105 117.943 3.476 -4.259 1.00 0.00 C ATOM 1721 CD2 TYR A 105 116.319 1.719 -3.871 1.00 0.00 C ATOM 1722 CE1 TYR A 105 118.858 2.529 -4.729 1.00 0.00 C ATOM 1723 CE2 TYR A 105 117.232 0.771 -4.343 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.503 1.176 -4.771 1.00 0.00 C ATOM 1725 OH TYR A 105 119.408 0.241 -5.234 1.00 0.00 O ATOM 0 H TYR A 105 114.585 5.943 -2.068 1.00 0.00 H new ATOM 0 HA TYR A 105 115.664 3.422 -1.269 1.00 0.00 H new ATOM 0 HB2 TYR A 105 114.671 3.751 -3.474 1.00 0.00 H new ATOM 0 HB3 TYR A 105 115.804 5.031 -3.858 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.216 4.521 -4.227 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.340 1.407 -3.538 1.00 0.00 H new ATOM 0 HE1 TYR A 105 119.838 2.841 -5.059 1.00 0.00 H new ATOM 0 HE2 TYR A 105 116.958 -0.273 -4.378 1.00 0.00 H new ATOM 0 HH TYR A 105 119.005 -0.651 -5.197 1.00 0.00 H new ATOM 1735 N SER A 106 117.866 5.802 -1.906 1.00 0.00 N ATOM 1736 CA SER A 106 119.303 6.141 -1.699 1.00 0.00 C ATOM 1737 C SER A 106 119.690 5.829 -0.253 1.00 0.00 C ATOM 1738 O SER A 106 120.534 4.996 0.010 1.00 0.00 O ATOM 1739 CB SER A 106 119.523 7.628 -1.974 1.00 0.00 C ATOM 1740 OG SER A 106 120.785 7.808 -2.603 1.00 0.00 O ATOM 0 H SER A 106 117.293 6.551 -2.294 1.00 0.00 H new ATOM 0 HA SER A 106 119.918 5.553 -2.380 1.00 0.00 H new ATOM 0 HB2 SER A 106 118.728 8.013 -2.612 1.00 0.00 H new ATOM 0 HB3 SER A 106 119.485 8.192 -1.042 1.00 0.00 H new ATOM 0 HG SER A 106 120.928 8.761 -2.782 1.00 0.00 H new ATOM 1746 N ALA A 107 119.074 6.491 0.688 1.00 0.00 N ATOM 1747 CA ALA A 107 119.400 6.235 2.117 1.00 0.00 C ATOM 1748 C ALA A 107 119.168 4.755 2.433 1.00 0.00 C ATOM 1749 O ALA A 107 119.685 4.230 3.399 1.00 0.00 O ATOM 1750 CB ALA A 107 118.498 7.096 3.005 1.00 0.00 C ATOM 0 H ALA A 107 118.358 7.199 0.527 1.00 0.00 H new ATOM 0 HA ALA A 107 120.443 6.487 2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.735 6.910 4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.662 8.149 2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.455 6.842 2.818 1.00 0.00 H new ATOM 1756 N LEU A 108 118.394 4.077 1.629 1.00 0.00 N ATOM 1757 CA LEU A 108 118.130 2.632 1.889 1.00 0.00 C ATOM 1758 C LEU A 108 119.362 1.807 1.508 1.00 0.00 C ATOM 1759 O LEU A 108 119.668 0.809 2.129 1.00 0.00 O ATOM 1760 CB LEU A 108 116.934 2.170 1.052 1.00 0.00 C ATOM 1761 CG LEU A 108 115.646 2.339 1.859 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.440 2.105 0.947 1.00 0.00 C ATOM 1763 CD2 LEU A 108 115.623 1.322 3.002 1.00 0.00 C ATOM 0 H LEU A 108 117.933 4.461 0.804 1.00 0.00 H new ATOM 0 HA LEU A 108 117.911 2.492 2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 108 116.876 2.750 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 108 117.060 1.126 0.764 1.00 0.00 H new ATOM 0 HG LEU A 108 115.604 3.348 2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.521 2.225 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.455 2.828 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.483 1.095 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 108 114.705 1.442 3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 108 115.665 0.313 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 108 116.483 1.486 3.652 1.00 0.00 H new ATOM 1775 N THR A 109 120.069 2.215 0.490 1.00 0.00 N ATOM 1776 CA THR A 109 121.278 1.450 0.070 1.00 0.00 C ATOM 1777 C THR A 109 122.456 1.813 0.977 1.00 0.00 C ATOM 1778 O THR A 109 123.389 1.050 1.132 1.00 0.00 O ATOM 1779 CB THR A 109 121.624 1.802 -1.379 1.00 0.00 C ATOM 1780 OG1 THR A 109 122.249 3.076 -1.418 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.345 1.832 -2.218 1.00 0.00 C ATOM 0 H THR A 109 119.863 3.043 -0.068 1.00 0.00 H new ATOM 0 HA THR A 109 121.076 0.382 0.149 1.00 0.00 H new ATOM 0 HB THR A 109 122.303 1.052 -1.784 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.682 3.732 -0.961 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.592 2.083 -3.250 1.00 0.00 H new ATOM 0 HG22 THR A 109 119.867 0.853 -2.187 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.664 2.582 -1.816 1.00 0.00 H new ATOM 1789 N ARG A 110 122.422 2.971 1.577 1.00 0.00 N ATOM 1790 CA ARG A 110 123.542 3.378 2.471 1.00 0.00 C ATOM 1791 C ARG A 110 123.263 2.895 3.896 1.00 0.00 C ATOM 1792 O ARG A 110 122.181 3.069 4.420 1.00 0.00 O ATOM 1793 CB ARG A 110 123.670 4.902 2.466 1.00 0.00 C ATOM 1794 CG ARG A 110 124.641 5.332 1.365 1.00 0.00 C ATOM 1795 CD ARG A 110 125.729 6.228 1.962 1.00 0.00 C ATOM 1796 NE ARG A 110 125.778 7.516 1.215 1.00 0.00 N ATOM 1797 CZ ARG A 110 126.751 8.359 1.432 1.00 0.00 C ATOM 1798 NH1 ARG A 110 127.988 7.947 1.403 1.00 0.00 N ATOM 1799 NH2 ARG A 110 126.486 9.613 1.677 1.00 0.00 N ATOM 0 H ARG A 110 121.668 3.652 1.487 1.00 0.00 H new ATOM 0 HA ARG A 110 124.470 2.933 2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 110 122.694 5.358 2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 110 124.026 5.250 3.435 1.00 0.00 H new ATOM 0 HG2 ARG A 110 125.092 4.455 0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 110 124.104 5.867 0.581 1.00 0.00 H new ATOM 0 HD2 ARG A 110 125.523 6.414 3.016 1.00 0.00 H new ATOM 0 HD3 ARG A 110 126.696 5.728 1.909 1.00 0.00 H new ATOM 0 HE ARG A 110 125.052 7.739 0.534 1.00 0.00 H new ATOM 0 HH11 ARG A 110 128.195 6.967 1.211 1.00 0.00 H new ATOM 0 HH12 ARG A 110 128.749 8.605 1.572 1.00 0.00 H new ATOM 0 HH21 ARG A 110 125.518 9.935 1.699 1.00 0.00 H new ATOM 0 HH22 ARG A 110 127.246 10.271 1.847 1.00 0.00 H new ATOM 1813 N ASP A 111 124.234 2.292 4.527 1.00 0.00 N ATOM 1814 CA ASP A 111 124.032 1.799 5.920 1.00 0.00 C ATOM 1815 C ASP A 111 123.288 2.865 6.732 1.00 0.00 C ATOM 1816 O ASP A 111 123.315 4.030 6.390 1.00 0.00 O ATOM 1817 CB ASP A 111 125.396 1.528 6.560 1.00 0.00 C ATOM 1818 CG ASP A 111 126.284 0.772 5.569 1.00 0.00 C ATOM 1819 OD1 ASP A 111 125.979 -0.375 5.287 1.00 0.00 O ATOM 1820 OD2 ASP A 111 127.253 1.354 5.110 1.00 0.00 O ATOM 0 H ASP A 111 125.161 2.119 4.137 1.00 0.00 H new ATOM 0 HA ASP A 111 123.446 0.880 5.905 1.00 0.00 H new ATOM 0 HB2 ASP A 111 125.869 2.468 6.845 1.00 0.00 H new ATOM 0 HB3 ASP A 111 125.272 0.944 7.472 1.00 0.00 H new ATOM 1825 N PRO A 112 122.645 2.430 7.788 1.00 0.00 N ATOM 1826 CA PRO A 112 122.617 1.012 8.199 1.00 0.00 C ATOM 1827 C PRO A 112 121.586 0.224 7.383 1.00 0.00 C ATOM 1828 O PRO A 112 121.186 -0.860 7.759 1.00 0.00 O ATOM 1829 CB PRO A 112 122.193 1.078 9.668 1.00 0.00 C ATOM 1830 CG PRO A 112 121.460 2.430 9.853 1.00 0.00 C ATOM 1831 CD PRO A 112 121.892 3.332 8.681 1.00 0.00 C ATOM 0 HA PRO A 112 123.572 0.510 8.046 1.00 0.00 H new ATOM 0 HB2 PRO A 112 121.538 0.244 9.921 1.00 0.00 H new ATOM 0 HB3 PRO A 112 123.060 1.013 10.325 1.00 0.00 H new ATOM 0 HG2 PRO A 112 120.379 2.287 9.854 1.00 0.00 H new ATOM 0 HG3 PRO A 112 121.722 2.885 10.808 1.00 0.00 H new ATOM 0 HD2 PRO A 112 121.030 3.766 8.174 1.00 0.00 H new ATOM 0 HD3 PRO A 112 122.511 4.161 9.024 1.00 0.00 H new ATOM 1839 N PHE A 113 121.146 0.754 6.275 1.00 0.00 N ATOM 1840 CA PHE A 113 120.140 0.025 5.453 1.00 0.00 C ATOM 1841 C PHE A 113 120.855 -0.883 4.451 1.00 0.00 C ATOM 1842 O PHE A 113 121.438 -0.424 3.488 1.00 0.00 O ATOM 1843 CB PHE A 113 119.271 1.033 4.701 1.00 0.00 C ATOM 1844 CG PHE A 113 118.356 1.735 5.677 1.00 0.00 C ATOM 1845 CD1 PHE A 113 117.376 1.008 6.364 1.00 0.00 C ATOM 1846 CD2 PHE A 113 118.487 3.111 5.894 1.00 0.00 C ATOM 1847 CE1 PHE A 113 116.530 1.656 7.268 1.00 0.00 C ATOM 1848 CE2 PHE A 113 117.639 3.759 6.798 1.00 0.00 C ATOM 1849 CZ PHE A 113 116.660 3.033 7.485 1.00 0.00 C ATOM 0 H PHE A 113 121.439 1.658 5.904 1.00 0.00 H new ATOM 0 HA PHE A 113 119.512 -0.582 6.104 1.00 0.00 H new ATOM 0 HB2 PHE A 113 119.900 1.760 4.188 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.684 0.524 3.937 1.00 0.00 H new ATOM 0 HD1 PHE A 113 117.274 -0.054 6.195 1.00 0.00 H new ATOM 0 HD2 PHE A 113 119.242 3.672 5.364 1.00 0.00 H new ATOM 0 HE1 PHE A 113 115.776 1.095 7.799 1.00 0.00 H new ATOM 0 HE2 PHE A 113 117.740 4.821 6.966 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.005 3.534 8.182 1.00 0.00 H new ATOM 1859 N SER A 114 120.813 -2.170 4.669 1.00 0.00 N ATOM 1860 CA SER A 114 121.489 -3.109 3.729 1.00 0.00 C ATOM 1861 C SER A 114 120.618 -3.299 2.485 1.00 0.00 C ATOM 1862 O SER A 114 119.495 -2.838 2.425 1.00 0.00 O ATOM 1863 CB SER A 114 121.694 -4.458 4.419 1.00 0.00 C ATOM 1864 OG SER A 114 122.976 -4.969 4.079 1.00 0.00 O ATOM 0 H SER A 114 120.340 -2.611 5.457 1.00 0.00 H new ATOM 0 HA SER A 114 122.456 -2.699 3.436 1.00 0.00 H new ATOM 0 HB2 SER A 114 121.610 -4.343 5.500 1.00 0.00 H new ATOM 0 HB3 SER A 114 120.917 -5.158 4.112 1.00 0.00 H new ATOM 0 HG SER A 114 123.112 -5.833 4.521 1.00 0.00 H new ATOM 1870 N VAL A 115 121.126 -3.974 1.490 1.00 0.00 N ATOM 1871 CA VAL A 115 120.327 -4.191 0.252 1.00 0.00 C ATOM 1872 C VAL A 115 120.275 -5.686 -0.068 1.00 0.00 C ATOM 1873 O VAL A 115 121.285 -6.313 -0.317 1.00 0.00 O ATOM 1874 CB VAL A 115 120.980 -3.444 -0.912 1.00 0.00 C ATOM 1875 CG1 VAL A 115 120.108 -3.580 -2.160 1.00 0.00 C ATOM 1876 CG2 VAL A 115 121.124 -1.964 -0.550 1.00 0.00 C ATOM 0 H VAL A 115 122.060 -4.384 1.482 1.00 0.00 H new ATOM 0 HA VAL A 115 119.314 -3.817 0.403 1.00 0.00 H new ATOM 0 HB VAL A 115 121.964 -3.869 -1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.574 -3.047 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 115 120.004 -4.634 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 115 119.123 -3.156 -1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.589 -1.430 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 115 120.139 -1.540 -0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.746 -1.866 0.340 1.00 0.00 H new ATOM 1886 N ILE A 116 119.103 -6.262 -0.064 1.00 0.00 N ATOM 1887 CA ILE A 116 118.985 -7.717 -0.369 1.00 0.00 C ATOM 1888 C ILE A 116 119.034 -7.928 -1.882 1.00 0.00 C ATOM 1889 O ILE A 116 119.967 -8.503 -2.409 1.00 0.00 O ATOM 1890 CB ILE A 116 117.657 -8.249 0.175 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.515 -7.854 1.646 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.630 -9.773 0.053 1.00 0.00 C ATOM 1893 CD1 ILE A 116 116.033 -7.827 2.027 1.00 0.00 C ATOM 0 H ILE A 116 118.222 -5.788 0.137 1.00 0.00 H new ATOM 0 HA ILE A 116 119.811 -8.252 0.100 1.00 0.00 H new ATOM 0 HB ILE A 116 116.833 -7.824 -0.398 1.00 0.00 H new ATOM 0 HG12 ILE A 116 118.051 -8.563 2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 116 117.963 -6.875 1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.684 -10.152 0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.733 -10.056 -0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.454 -10.199 0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 116 115.932 -7.546 3.075 1.00 0.00 H new ATOM 0 HD12 ILE A 116 115.510 -7.101 1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 116 115.600 -8.815 1.873 1.00 0.00 H new ATOM 1905 N GLU A 117 118.038 -7.468 -2.590 1.00 0.00 N ATOM 1906 CA GLU A 117 118.034 -7.647 -4.069 1.00 0.00 C ATOM 1907 C GLU A 117 117.077 -6.638 -4.708 1.00 0.00 C ATOM 1908 O GLU A 117 116.606 -5.721 -4.065 1.00 0.00 O ATOM 1909 CB GLU A 117 117.576 -9.067 -4.410 1.00 0.00 C ATOM 1910 CG GLU A 117 116.158 -9.288 -3.879 1.00 0.00 C ATOM 1911 CD GLU A 117 115.272 -9.834 -4.999 1.00 0.00 C ATOM 1912 OE1 GLU A 117 115.124 -9.149 -5.998 1.00 0.00 O ATOM 1913 OE2 GLU A 117 114.756 -10.928 -4.839 1.00 0.00 O ATOM 0 H GLU A 117 117.229 -6.977 -2.209 1.00 0.00 H new ATOM 0 HA GLU A 117 119.041 -7.485 -4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 117 117.599 -9.219 -5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 117 118.258 -9.796 -3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 117 116.177 -9.987 -3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 117 115.749 -8.350 -3.502 1.00 0.00 H new ATOM 1920 N GLU A 118 116.786 -6.801 -5.971 1.00 0.00 N ATOM 1921 CA GLU A 118 115.860 -5.854 -6.654 1.00 0.00 C ATOM 1922 C GLU A 118 115.612 -6.330 -8.087 1.00 0.00 C ATOM 1923 O GLU A 118 116.217 -7.277 -8.550 1.00 0.00 O ATOM 1924 CB GLU A 118 116.485 -4.458 -6.679 1.00 0.00 C ATOM 1925 CG GLU A 118 117.970 -4.570 -7.028 1.00 0.00 C ATOM 1926 CD GLU A 118 118.812 -4.287 -5.782 1.00 0.00 C ATOM 1927 OE1 GLU A 118 118.232 -4.152 -4.717 1.00 0.00 O ATOM 1928 OE2 GLU A 118 120.022 -4.210 -5.914 1.00 0.00 O ATOM 0 H GLU A 118 117.151 -7.550 -6.559 1.00 0.00 H new ATOM 0 HA GLU A 118 114.913 -5.817 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 118 115.975 -3.833 -7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.364 -3.976 -5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 118 118.190 -5.567 -7.410 1.00 0.00 H new ATOM 0 HG3 GLU A 118 118.223 -3.863 -7.818 1.00 0.00 H new ATOM 1935 N SER A 119 114.726 -5.683 -8.794 1.00 0.00 N ATOM 1936 CA SER A 119 114.439 -6.102 -10.195 1.00 0.00 C ATOM 1937 C SER A 119 115.397 -5.387 -11.152 1.00 0.00 C ATOM 1938 O SER A 119 115.748 -5.903 -12.194 1.00 0.00 O ATOM 1939 CB SER A 119 112.998 -5.736 -10.552 1.00 0.00 C ATOM 1940 OG SER A 119 112.298 -6.910 -10.942 1.00 0.00 O ATOM 0 H SER A 119 114.189 -4.882 -8.462 1.00 0.00 H new ATOM 0 HA SER A 119 114.575 -7.180 -10.284 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.506 -5.272 -9.697 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.986 -5.006 -11.361 1.00 0.00 H new ATOM 0 HG SER A 119 111.373 -6.679 -11.170 1.00 0.00 H new ATOM 1946 N LEU A 120 115.820 -4.202 -10.808 1.00 0.00 N ATOM 1947 CA LEU A 120 116.752 -3.456 -11.701 1.00 0.00 C ATOM 1948 C LEU A 120 118.194 -3.680 -11.233 1.00 0.00 C ATOM 1949 O LEU A 120 118.454 -3.747 -10.049 1.00 0.00 O ATOM 1950 CB LEU A 120 116.420 -1.963 -11.649 1.00 0.00 C ATOM 1951 CG LEU A 120 115.066 -1.720 -12.318 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.643 -0.265 -12.103 1.00 0.00 C ATOM 1953 CD2 LEU A 120 115.181 -2.001 -13.818 1.00 0.00 C ATOM 0 H LEU A 120 115.561 -3.718 -9.948 1.00 0.00 H new ATOM 0 HA LEU A 120 116.644 -3.815 -12.725 1.00 0.00 H new ATOM 0 HB2 LEU A 120 116.393 -1.621 -10.614 1.00 0.00 H new ATOM 0 HB3 LEU A 120 117.196 -1.389 -12.155 1.00 0.00 H new ATOM 0 HG LEU A 120 114.320 -2.383 -11.879 1.00 0.00 H new ATOM 0 HD11 LEU A 120 113.678 -0.092 -12.580 1.00 0.00 H new ATOM 0 HD12 LEU A 120 114.561 -0.064 -11.035 1.00 0.00 H new ATOM 0 HD13 LEU A 120 115.388 0.399 -12.541 1.00 0.00 H new ATOM 0 HD21 LEU A 120 114.217 -1.828 -14.296 1.00 0.00 H new ATOM 0 HD22 LEU A 120 115.927 -1.338 -14.256 1.00 0.00 H new ATOM 0 HD23 LEU A 120 115.482 -3.037 -13.972 1.00 0.00 H new ATOM 1965 N PRO A 121 119.091 -3.794 -12.182 1.00 0.00 N ATOM 1966 CA PRO A 121 120.520 -4.017 -11.900 1.00 0.00 C ATOM 1967 C PRO A 121 121.194 -2.705 -11.485 1.00 0.00 C ATOM 1968 O PRO A 121 122.367 -2.672 -11.167 1.00 0.00 O ATOM 1969 CB PRO A 121 121.076 -4.516 -13.237 1.00 0.00 C ATOM 1970 CG PRO A 121 120.099 -4.018 -14.329 1.00 0.00 C ATOM 1971 CD PRO A 121 118.766 -3.711 -13.622 1.00 0.00 C ATOM 0 HA PRO A 121 120.692 -4.718 -11.084 1.00 0.00 H new ATOM 0 HB2 PRO A 121 122.080 -4.129 -13.409 1.00 0.00 H new ATOM 0 HB3 PRO A 121 121.147 -5.604 -13.246 1.00 0.00 H new ATOM 0 HG2 PRO A 121 120.490 -3.128 -14.822 1.00 0.00 H new ATOM 0 HG3 PRO A 121 119.962 -4.775 -15.101 1.00 0.00 H new ATOM 0 HD2 PRO A 121 118.392 -2.723 -13.889 1.00 0.00 H new ATOM 0 HD3 PRO A 121 117.994 -4.429 -13.898 1.00 0.00 H new ATOM 1979 N GLY A 122 120.463 -1.622 -11.485 1.00 0.00 N ATOM 1980 CA GLY A 122 121.066 -0.317 -11.092 1.00 0.00 C ATOM 1981 C GLY A 122 120.105 0.437 -10.170 1.00 0.00 C ATOM 1982 O GLY A 122 120.261 1.618 -9.930 1.00 0.00 O ATOM 0 H GLY A 122 119.476 -1.585 -11.740 1.00 0.00 H new ATOM 0 HA2 GLY A 122 122.017 -0.482 -10.586 1.00 0.00 H new ATOM 0 HA3 GLY A 122 121.277 0.279 -11.980 1.00 0.00 H new ATOM 1986 N GLY A 123 119.114 -0.234 -9.652 1.00 0.00 N ATOM 1987 CA GLY A 123 118.146 0.447 -8.746 1.00 0.00 C ATOM 1988 C GLY A 123 117.214 1.339 -9.570 1.00 0.00 C ATOM 1989 O GLY A 123 117.075 1.170 -10.765 1.00 0.00 O ATOM 0 H GLY A 123 118.932 -1.224 -9.817 1.00 0.00 H new ATOM 0 HA2 GLY A 123 117.565 -0.293 -8.195 1.00 0.00 H new ATOM 0 HA3 GLY A 123 118.681 1.045 -8.009 1.00 0.00 H new ATOM 1993 N LEU A 124 116.572 2.287 -8.942 1.00 0.00 N ATOM 1994 CA LEU A 124 115.649 3.185 -9.691 1.00 0.00 C ATOM 1995 C LEU A 124 116.462 4.199 -10.498 1.00 0.00 C ATOM 1996 O LEU A 124 117.646 4.030 -10.715 1.00 0.00 O ATOM 1997 CB LEU A 124 114.744 3.924 -8.707 1.00 0.00 C ATOM 1998 CG LEU A 124 113.330 3.347 -8.785 1.00 0.00 C ATOM 1999 CD1 LEU A 124 112.562 3.698 -7.510 1.00 0.00 C ATOM 2000 CD2 LEU A 124 112.604 3.939 -9.996 1.00 0.00 C ATOM 0 H LEU A 124 116.647 2.478 -7.943 1.00 0.00 H new ATOM 0 HA LEU A 124 115.038 2.590 -10.369 1.00 0.00 H new ATOM 0 HB2 LEU A 124 115.133 3.826 -7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 124 114.728 4.989 -8.940 1.00 0.00 H new ATOM 0 HG LEU A 124 113.386 2.263 -8.887 1.00 0.00 H new ATOM 0 HD11 LEU A 124 111.554 3.286 -7.567 1.00 0.00 H new ATOM 0 HD12 LEU A 124 113.078 3.277 -6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 124 112.506 4.782 -7.406 1.00 0.00 H new ATOM 0 HD21 LEU A 124 111.596 3.528 -10.052 1.00 0.00 H new ATOM 0 HD22 LEU A 124 112.549 5.023 -9.893 1.00 0.00 H new ATOM 0 HD23 LEU A 124 113.149 3.688 -10.906 1.00 0.00 H new