USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 759 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 50 TYR OH : rot 63:sc= 1.84 USER MOD Set 1.2: A 59 THR OG1 : rot -106:sc= 0.17 USER MOD Set 1.3: A 62 GLN : amide:sc= -0.567 K(o=1.4,f=2) USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0324) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= -0.0198 (180deg=-0.183) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.807 K(o=0.81,f=-3.4!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 71:sc= 1.26 USER MOD Single : A 65 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.15) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.093) USER MOD Single : A 79 ASN : amide:sc= 0.723 K(o=0.72,f=-0.79) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 106:sc= 0.3 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 96 SER OG : rot 154:sc= 0.732 USER MOD Single : A 98 TYR OH : rot 133:sc= -2.72! USER MOD Single : A 99 GLN : amide:sc= -0.0946 K(o=-0.095,f=-0.96) USER MOD Single : A 102 SER OG : rot -163:sc= 0.307 USER MOD Single : A 105 GLN : amide:sc= -2! C(o=-2!,f=-7.2!) USER MOD Single : A 106 HIS : no HD1:sc= -1.3 K(o=-1.3,f=0.076) USER MOD Single : A 108 GLN : amide:sc= 0.432 X(o=0.43,f=-0.034) USER MOD Single : A 113 SER OG : rot 130:sc= -2.47! USER MOD Single : A 122 SER OG : rot 36:sc= -12.5! USER MOD Single : A 123 ASN : amide:sc= 0.914 K(o=0.91,f=0) USER MOD Single : A 128 ASN : amide:sc= 0.723 K(o=0.72,f=-0.94) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N GLU A 29 19.478 -6.223 -5.535 1.00 0.00 N ATOM 64 CA GLU A 29 18.674 -5.226 -4.819 1.00 0.00 C ATOM 65 C GLU A 29 17.668 -4.530 -5.727 1.00 0.00 C ATOM 66 O GLU A 29 16.538 -4.259 -5.318 1.00 0.00 O ATOM 67 CB GLU A 29 19.594 -4.174 -4.198 1.00 0.00 C ATOM 68 CG GLU A 29 18.856 -3.067 -3.463 1.00 0.00 C ATOM 69 CD GLU A 29 19.756 -1.898 -3.127 1.00 0.00 C ATOM 70 OE1 GLU A 29 19.814 -0.946 -3.930 1.00 0.00 O ATOM 71 OE2 GLU A 29 20.409 -1.923 -2.066 1.00 0.00 O ATOM 0 HA GLU A 29 18.117 -5.756 -4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 29 20.276 -4.666 -3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 29 20.205 -3.730 -4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 29 18.026 -2.718 -4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 29 18.427 -3.468 -2.544 1.00 0.00 H new ATOM 78 N LYS A 30 18.077 -4.235 -6.952 1.00 0.00 N ATOM 79 CA LYS A 30 17.223 -3.496 -7.870 1.00 0.00 C ATOM 80 C LYS A 30 15.980 -4.310 -8.192 1.00 0.00 C ATOM 81 O LYS A 30 14.891 -3.764 -8.327 1.00 0.00 O ATOM 82 CB LYS A 30 17.969 -3.108 -9.155 1.00 0.00 C ATOM 83 CG LYS A 30 19.046 -2.042 -8.958 1.00 0.00 C ATOM 84 CD LYS A 30 20.215 -2.548 -8.125 1.00 0.00 C ATOM 85 CE LYS A 30 21.224 -1.448 -7.832 1.00 0.00 C ATOM 86 NZ LYS A 30 21.877 -0.939 -9.066 1.00 0.00 N ATOM 0 H LYS A 30 18.988 -4.494 -7.331 1.00 0.00 H new ATOM 0 HA LYS A 30 16.924 -2.569 -7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.431 -4.001 -9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.246 -2.747 -9.886 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.411 -1.714 -9.931 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.607 -1.171 -8.472 1.00 0.00 H new ATOM 0 HD2 LYS A 30 19.841 -2.957 -7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.710 -3.363 -8.653 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.723 -0.625 -7.323 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.985 -1.828 -7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.615 -0.253 -8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 22.306 -1.732 -9.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.167 -0.475 -9.668 1.00 0.00 H new ATOM 100 N ALA A 31 16.142 -5.624 -8.269 1.00 0.00 N ATOM 101 CA ALA A 31 15.012 -6.512 -8.487 1.00 0.00 C ATOM 102 C ALA A 31 14.135 -6.577 -7.244 1.00 0.00 C ATOM 103 O ALA A 31 12.908 -6.617 -7.347 1.00 0.00 O ATOM 104 CB ALA A 31 15.484 -7.901 -8.878 1.00 0.00 C ATOM 0 H ALA A 31 17.042 -6.096 -8.184 1.00 0.00 H new ATOM 0 HA ALA A 31 14.418 -6.110 -9.308 1.00 0.00 H new ATOM 0 HB1 ALA A 31 14.621 -8.548 -9.036 1.00 0.00 H new ATOM 0 HB2 ALA A 31 16.066 -7.842 -9.798 1.00 0.00 H new ATOM 0 HB3 ALA A 31 16.104 -8.312 -8.082 1.00 0.00 H new ATOM 110 N ASP A 32 14.768 -6.574 -6.067 1.00 0.00 N ATOM 111 CA ASP A 32 14.036 -6.611 -4.799 1.00 0.00 C ATOM 112 C ASP A 32 13.132 -5.403 -4.673 1.00 0.00 C ATOM 113 O ASP A 32 11.944 -5.525 -4.376 1.00 0.00 O ATOM 114 CB ASP A 32 14.992 -6.605 -3.599 1.00 0.00 C ATOM 115 CG ASP A 32 15.700 -7.927 -3.384 1.00 0.00 C ATOM 116 OD1 ASP A 32 16.874 -8.053 -3.786 1.00 0.00 O ATOM 117 OD2 ASP A 32 15.086 -8.847 -2.805 1.00 0.00 O ATOM 0 H ASP A 32 15.783 -6.546 -5.967 1.00 0.00 H new ATOM 0 HA ASP A 32 13.451 -7.531 -4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.737 -5.822 -3.742 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.431 -6.351 -2.699 1.00 0.00 H new ATOM 122 N ARG A 33 13.698 -4.235 -4.925 1.00 0.00 N ATOM 123 CA ARG A 33 12.961 -2.999 -4.777 1.00 0.00 C ATOM 124 C ARG A 33 11.887 -2.856 -5.853 1.00 0.00 C ATOM 125 O ARG A 33 10.807 -2.346 -5.580 1.00 0.00 O ATOM 126 CB ARG A 33 13.889 -1.783 -4.751 1.00 0.00 C ATOM 127 CG ARG A 33 14.862 -1.696 -5.912 1.00 0.00 C ATOM 128 CD ARG A 33 15.525 -0.334 -5.943 1.00 0.00 C ATOM 129 NE ARG A 33 16.975 -0.389 -5.753 1.00 0.00 N ATOM 130 CZ ARG A 33 17.824 0.454 -6.342 1.00 0.00 C ATOM 131 NH1 ARG A 33 17.396 1.289 -7.281 1.00 0.00 N ATOM 132 NH2 ARG A 33 19.104 0.451 -6.005 1.00 0.00 N ATOM 0 H ARG A 33 14.664 -4.120 -5.232 1.00 0.00 H new ATOM 0 HA ARG A 33 12.457 -3.041 -3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.279 -0.879 -4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.457 -1.797 -3.821 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.619 -2.474 -5.819 1.00 0.00 H new ATOM 0 HG3 ARG A 33 14.336 -1.873 -6.850 1.00 0.00 H new ATOM 0 HD2 ARG A 33 15.309 0.145 -6.898 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.088 0.293 -5.166 1.00 0.00 H new ATOM 0 HE ARG A 33 17.356 -1.109 -5.139 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.414 1.288 -7.555 1.00 0.00 H new ATOM 0 HH12 ARG A 33 18.050 1.932 -7.728 1.00 0.00 H new ATOM 0 HH21 ARG A 33 19.443 -0.197 -5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 33 19.752 1.097 -6.457 1.00 0.00 H new ATOM 146 N GLN A 34 12.181 -3.310 -7.072 1.00 0.00 N ATOM 147 CA GLN A 34 11.195 -3.275 -8.152 1.00 0.00 C ATOM 148 C GLN A 34 9.966 -4.110 -7.799 1.00 0.00 C ATOM 149 O GLN A 34 8.840 -3.751 -8.148 1.00 0.00 O ATOM 150 CB GLN A 34 11.806 -3.761 -9.467 1.00 0.00 C ATOM 151 CG GLN A 34 12.691 -2.725 -10.142 1.00 0.00 C ATOM 152 CD GLN A 34 13.342 -3.241 -11.411 1.00 0.00 C ATOM 153 OE1 GLN A 34 13.645 -4.429 -11.533 1.00 0.00 O ATOM 154 NE2 GLN A 34 13.550 -2.355 -12.371 1.00 0.00 N ATOM 0 H GLN A 34 13.085 -3.703 -7.335 1.00 0.00 H new ATOM 0 HA GLN A 34 10.882 -2.239 -8.280 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.392 -4.660 -9.276 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.004 -4.043 -10.149 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.095 -1.844 -10.378 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.467 -2.408 -9.445 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.285 -1.380 -12.231 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.975 -2.647 -13.251 1.00 0.00 H new ATOM 163 N LYS A 35 10.185 -5.222 -7.103 1.00 0.00 N ATOM 164 CA LYS A 35 9.082 -6.052 -6.626 1.00 0.00 C ATOM 165 C LYS A 35 8.302 -5.311 -5.548 1.00 0.00 C ATOM 166 O LYS A 35 7.071 -5.354 -5.510 1.00 0.00 O ATOM 167 CB LYS A 35 9.608 -7.376 -6.073 1.00 0.00 C ATOM 168 CG LYS A 35 10.275 -8.254 -7.118 1.00 0.00 C ATOM 169 CD LYS A 35 10.913 -9.479 -6.487 1.00 0.00 C ATOM 170 CE LYS A 35 11.559 -10.376 -7.532 1.00 0.00 C ATOM 171 NZ LYS A 35 10.560 -10.938 -8.479 1.00 0.00 N ATOM 0 H LYS A 35 11.112 -5.569 -6.857 1.00 0.00 H new ATOM 0 HA LYS A 35 8.419 -6.265 -7.465 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.323 -7.168 -5.276 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.781 -7.926 -5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.538 -8.566 -7.858 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.034 -7.679 -7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.664 -9.166 -5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.157 -10.043 -5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.304 -9.807 -8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.085 -11.191 -7.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.001 -11.694 -9.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.757 -11.327 -7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.222 -10.187 -9.114 1.00 0.00 H new ATOM 185 N VAL A 36 9.036 -4.612 -4.690 1.00 0.00 N ATOM 186 CA VAL A 36 8.439 -3.809 -3.633 1.00 0.00 C ATOM 187 C VAL A 36 7.550 -2.718 -4.221 1.00 0.00 C ATOM 188 O VAL A 36 6.403 -2.547 -3.810 1.00 0.00 O ATOM 189 CB VAL A 36 9.532 -3.174 -2.739 1.00 0.00 C ATOM 190 CG1 VAL A 36 8.967 -2.064 -1.867 1.00 0.00 C ATOM 191 CG2 VAL A 36 10.197 -4.233 -1.873 1.00 0.00 C ATOM 0 H VAL A 36 10.056 -4.587 -4.708 1.00 0.00 H new ATOM 0 HA VAL A 36 7.826 -4.469 -3.019 1.00 0.00 H new ATOM 0 HB VAL A 36 10.280 -2.735 -3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.763 -1.642 -1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.544 -1.284 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.188 -2.469 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.962 -3.767 -1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.449 -4.704 -1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.657 -4.988 -2.510 1.00 0.00 H new ATOM 201 N VAL A 37 8.074 -2.009 -5.209 1.00 0.00 N ATOM 202 CA VAL A 37 7.336 -0.935 -5.858 1.00 0.00 C ATOM 203 C VAL A 37 6.085 -1.471 -6.554 1.00 0.00 C ATOM 204 O VAL A 37 5.037 -0.834 -6.529 1.00 0.00 O ATOM 205 CB VAL A 37 8.212 -0.171 -6.876 1.00 0.00 C ATOM 206 CG1 VAL A 37 7.426 0.953 -7.538 1.00 0.00 C ATOM 207 CG2 VAL A 37 9.454 0.383 -6.198 1.00 0.00 C ATOM 0 H VAL A 37 9.012 -2.159 -5.581 1.00 0.00 H new ATOM 0 HA VAL A 37 7.037 -0.239 -5.075 1.00 0.00 H new ATOM 0 HB VAL A 37 8.519 -0.874 -7.651 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.066 1.474 -8.250 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.566 0.536 -8.061 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.083 1.654 -6.777 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.060 0.918 -6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.160 1.066 -5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.035 -0.437 -5.776 1.00 0.00 H new ATOM 217 N SER A 38 6.196 -2.648 -7.161 1.00 0.00 N ATOM 218 CA SER A 38 5.080 -3.237 -7.895 1.00 0.00 C ATOM 219 C SER A 38 3.887 -3.503 -6.968 1.00 0.00 C ATOM 220 O SER A 38 2.742 -3.178 -7.301 1.00 0.00 O ATOM 221 CB SER A 38 5.521 -4.535 -8.582 1.00 0.00 C ATOM 222 OG SER A 38 4.533 -4.998 -9.489 1.00 0.00 O ATOM 0 H SER A 38 7.046 -3.213 -7.160 1.00 0.00 H new ATOM 0 HA SER A 38 4.763 -2.525 -8.657 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.457 -4.367 -9.115 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.715 -5.300 -7.830 1.00 0.00 H new ATOM 0 HG SER A 38 4.841 -5.826 -9.914 1.00 0.00 H new ATOM 228 N ASP A 39 4.149 -4.089 -5.807 1.00 0.00 N ATOM 229 CA ASP A 39 3.091 -4.326 -4.827 1.00 0.00 C ATOM 230 C ASP A 39 2.625 -3.009 -4.226 1.00 0.00 C ATOM 231 O ASP A 39 1.445 -2.824 -3.941 1.00 0.00 O ATOM 232 CB ASP A 39 3.560 -5.266 -3.712 1.00 0.00 C ATOM 233 CG ASP A 39 3.789 -6.685 -4.188 1.00 0.00 C ATOM 234 OD1 ASP A 39 4.942 -7.157 -4.126 1.00 0.00 O ATOM 235 OD2 ASP A 39 2.821 -7.340 -4.628 1.00 0.00 O ATOM 0 H ASP A 39 5.075 -4.407 -5.520 1.00 0.00 H new ATOM 0 HA ASP A 39 2.260 -4.802 -5.347 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.485 -4.879 -3.284 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.818 -5.272 -2.914 1.00 0.00 H new ATOM 240 N LEU A 40 3.568 -2.095 -4.057 1.00 0.00 N ATOM 241 CA LEU A 40 3.301 -0.794 -3.457 1.00 0.00 C ATOM 242 C LEU A 40 2.339 0.029 -4.313 1.00 0.00 C ATOM 243 O LEU A 40 1.386 0.613 -3.799 1.00 0.00 O ATOM 244 CB LEU A 40 4.624 -0.053 -3.267 1.00 0.00 C ATOM 245 CG LEU A 40 4.549 1.285 -2.535 1.00 0.00 C ATOM 246 CD1 LEU A 40 4.006 1.097 -1.127 1.00 0.00 C ATOM 247 CD2 LEU A 40 5.926 1.924 -2.497 1.00 0.00 C ATOM 0 H LEU A 40 4.541 -2.233 -4.332 1.00 0.00 H new ATOM 0 HA LEU A 40 2.822 -0.943 -2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.306 -0.704 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.065 0.118 -4.249 1.00 0.00 H new ATOM 0 HG LEU A 40 3.867 1.944 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.961 2.062 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.006 0.666 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.662 0.427 -0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.870 2.879 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.619 1.264 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.279 2.088 -3.515 1.00 0.00 H new ATOM 259 N VAL A 41 2.583 0.070 -5.619 1.00 0.00 N ATOM 260 CA VAL A 41 1.700 0.788 -6.531 1.00 0.00 C ATOM 261 C VAL A 41 0.330 0.117 -6.582 1.00 0.00 C ATOM 262 O VAL A 41 -0.698 0.790 -6.697 1.00 0.00 O ATOM 263 CB VAL A 41 2.286 0.925 -7.960 1.00 0.00 C ATOM 264 CG1 VAL A 41 3.628 1.636 -7.919 1.00 0.00 C ATOM 265 CG2 VAL A 41 2.426 -0.426 -8.645 1.00 0.00 C ATOM 0 H VAL A 41 3.380 -0.382 -6.067 1.00 0.00 H new ATOM 0 HA VAL A 41 1.597 1.799 -6.136 1.00 0.00 H new ATOM 0 HB VAL A 41 1.585 1.521 -8.544 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.025 1.723 -8.931 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.500 2.631 -7.492 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.324 1.065 -7.305 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.840 -0.286 -9.644 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.092 -1.062 -8.062 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.447 -0.899 -8.721 1.00 0.00 H new ATOM 275 N ALA A 42 0.319 -1.213 -6.502 1.00 0.00 N ATOM 276 CA ALA A 42 -0.927 -1.963 -6.441 1.00 0.00 C ATOM 277 C ALA A 42 -1.707 -1.601 -5.179 1.00 0.00 C ATOM 278 O ALA A 42 -2.935 -1.511 -5.203 1.00 0.00 O ATOM 279 CB ALA A 42 -0.650 -3.459 -6.490 1.00 0.00 C ATOM 0 H ALA A 42 1.160 -1.790 -6.478 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.534 -1.698 -7.307 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.592 -4.005 -6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.134 -3.703 -7.419 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.025 -3.741 -5.643 1.00 0.00 H new ATOM 285 N LEU A 43 -0.981 -1.382 -4.084 1.00 0.00 N ATOM 286 CA LEU A 43 -1.589 -0.961 -2.826 1.00 0.00 C ATOM 287 C LEU A 43 -2.312 0.364 -3.000 1.00 0.00 C ATOM 288 O LEU A 43 -3.466 0.507 -2.600 1.00 0.00 O ATOM 289 CB LEU A 43 -0.527 -0.820 -1.730 1.00 0.00 C ATOM 290 CG LEU A 43 0.042 -2.126 -1.180 1.00 0.00 C ATOM 291 CD1 LEU A 43 1.153 -1.826 -0.192 1.00 0.00 C ATOM 292 CD2 LEU A 43 -1.048 -2.946 -0.508 1.00 0.00 C ATOM 0 H LEU A 43 0.032 -1.490 -4.044 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.307 -1.726 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.297 -0.225 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.959 -0.258 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 43 0.446 -2.707 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.556 -2.761 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.946 -1.270 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.757 -1.231 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.621 -3.872 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.478 -2.375 0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.827 -3.179 -1.234 1.00 0.00 H new ATOM 304 N GLU A 44 -1.634 1.325 -3.617 1.00 0.00 N ATOM 305 CA GLU A 44 -2.229 2.626 -3.881 1.00 0.00 C ATOM 306 C GLU A 44 -3.449 2.470 -4.777 1.00 0.00 C ATOM 307 O GLU A 44 -4.435 3.186 -4.623 1.00 0.00 O ATOM 308 CB GLU A 44 -1.225 3.565 -4.544 1.00 0.00 C ATOM 309 CG GLU A 44 -1.760 4.976 -4.719 1.00 0.00 C ATOM 310 CD GLU A 44 -0.956 5.790 -5.704 1.00 0.00 C ATOM 311 OE1 GLU A 44 0.095 6.336 -5.314 1.00 0.00 O ATOM 312 OE2 GLU A 44 -1.377 5.895 -6.872 1.00 0.00 O ATOM 0 H GLU A 44 -0.673 1.226 -3.943 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.530 3.059 -2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.316 3.599 -3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.949 3.163 -5.519 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.796 4.928 -5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.761 5.481 -3.753 1.00 0.00 H new ATOM 319 N GLY A 45 -3.368 1.530 -5.711 1.00 0.00 N ATOM 320 CA GLY A 45 -4.499 1.233 -6.563 1.00 0.00 C ATOM 321 C GLY A 45 -5.712 0.827 -5.757 1.00 0.00 C ATOM 322 O GLY A 45 -6.813 1.322 -5.991 1.00 0.00 O ATOM 0 H GLY A 45 -2.536 0.968 -5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.739 2.108 -7.168 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.235 0.431 -7.253 1.00 0.00 H new ATOM 326 N ALA A 46 -5.504 -0.057 -4.787 1.00 0.00 N ATOM 327 CA ALA A 46 -6.578 -0.490 -3.905 1.00 0.00 C ATOM 328 C ALA A 46 -7.118 0.687 -3.098 1.00 0.00 C ATOM 329 O ALA A 46 -8.318 0.798 -2.886 1.00 0.00 O ATOM 330 CB ALA A 46 -6.094 -1.599 -2.978 1.00 0.00 C ATOM 0 H ALA A 46 -4.600 -0.487 -4.593 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.388 -0.884 -4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.910 -1.910 -2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.760 -2.450 -3.572 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.266 -1.231 -2.372 1.00 0.00 H new ATOM 336 N LEU A 47 -6.220 1.567 -2.666 1.00 0.00 N ATOM 337 CA LEU A 47 -6.591 2.751 -1.896 1.00 0.00 C ATOM 338 C LEU A 47 -7.438 3.712 -2.727 1.00 0.00 C ATOM 339 O LEU A 47 -8.504 4.152 -2.291 1.00 0.00 O ATOM 340 CB LEU A 47 -5.324 3.467 -1.419 1.00 0.00 C ATOM 341 CG LEU A 47 -4.301 2.590 -0.694 1.00 0.00 C ATOM 342 CD1 LEU A 47 -3.151 3.431 -0.170 1.00 0.00 C ATOM 343 CD2 LEU A 47 -4.952 1.810 0.430 1.00 0.00 C ATOM 0 H LEU A 47 -5.218 1.481 -2.839 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.184 2.429 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.839 3.922 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.616 4.279 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.902 1.873 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.435 2.789 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.658 3.933 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.534 4.176 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.202 1.195 0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.389 2.503 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.734 1.169 0.023 1.00 0.00 H new ATOM 355 N ASP A 48 -6.956 4.029 -3.921 1.00 0.00 N ATOM 356 CA ASP A 48 -7.643 4.958 -4.813 1.00 0.00 C ATOM 357 C ASP A 48 -9.018 4.421 -5.181 1.00 0.00 C ATOM 358 O ASP A 48 -10.011 5.151 -5.150 1.00 0.00 O ATOM 359 CB ASP A 48 -6.813 5.188 -6.082 1.00 0.00 C ATOM 360 CG ASP A 48 -7.389 6.270 -6.979 1.00 0.00 C ATOM 361 OD1 ASP A 48 -8.345 5.987 -7.730 1.00 0.00 O ATOM 362 OD2 ASP A 48 -6.870 7.407 -6.950 1.00 0.00 O ATOM 0 H ASP A 48 -6.085 3.654 -4.298 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.765 5.909 -4.294 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -5.796 5.461 -5.800 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.749 4.255 -6.642 1.00 0.00 H new ATOM 367 N MET A 49 -9.074 3.134 -5.503 1.00 0.00 N ATOM 368 CA MET A 49 -10.324 2.493 -5.883 1.00 0.00 C ATOM 369 C MET A 49 -11.252 2.358 -4.686 1.00 0.00 C ATOM 370 O MET A 49 -12.472 2.475 -4.818 1.00 0.00 O ATOM 371 CB MET A 49 -10.068 1.129 -6.528 1.00 0.00 C ATOM 372 CG MET A 49 -9.284 1.222 -7.826 1.00 0.00 C ATOM 373 SD MET A 49 -9.050 -0.375 -8.625 1.00 0.00 S ATOM 374 CE MET A 49 -8.103 0.114 -10.065 1.00 0.00 C ATOM 0 H MET A 49 -8.265 2.513 -5.508 1.00 0.00 H new ATOM 0 HA MET A 49 -10.814 3.128 -6.621 1.00 0.00 H new ATOM 0 HB2 MET A 49 -9.523 0.498 -5.826 1.00 0.00 H new ATOM 0 HB3 MET A 49 -11.023 0.640 -6.721 1.00 0.00 H new ATOM 0 HG2 MET A 49 -9.804 1.892 -8.511 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.310 1.667 -7.624 1.00 0.00 H new ATOM 0 HE1 MET A 49 -7.876 -0.766 -10.667 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.683 0.821 -10.659 1.00 0.00 H new ATOM 0 HE3 MET A 49 -7.173 0.585 -9.746 1.00 0.00 H new ATOM 384 N TYR A 50 -10.672 2.106 -3.518 1.00 0.00 N ATOM 385 CA TYR A 50 -11.440 2.040 -2.286 1.00 0.00 C ATOM 386 C TYR A 50 -12.160 3.360 -2.062 1.00 0.00 C ATOM 387 O TYR A 50 -13.340 3.379 -1.730 1.00 0.00 O ATOM 388 CB TYR A 50 -10.528 1.743 -1.096 1.00 0.00 C ATOM 389 CG TYR A 50 -11.205 0.996 0.031 1.00 0.00 C ATOM 390 CD1 TYR A 50 -11.936 1.658 1.009 1.00 0.00 C ATOM 391 CD2 TYR A 50 -11.101 -0.384 0.117 1.00 0.00 C ATOM 392 CE1 TYR A 50 -12.543 0.963 2.039 1.00 0.00 C ATOM 393 CE2 TYR A 50 -11.703 -1.084 1.138 1.00 0.00 C ATOM 394 CZ TYR A 50 -12.423 -0.410 2.096 1.00 0.00 C ATOM 395 OH TYR A 50 -13.016 -1.113 3.116 1.00 0.00 O ATOM 0 H TYR A 50 -9.672 1.944 -3.401 1.00 0.00 H new ATOM 0 HA TYR A 50 -12.169 1.235 -2.374 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.675 1.160 -1.443 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.135 2.684 -0.710 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -12.032 2.733 0.964 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.537 -0.920 -0.632 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -13.107 1.491 2.793 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -11.610 -2.159 1.186 1.00 0.00 H new ATOM 0 HH TYR A 50 -13.988 -1.002 3.068 1.00 0.00 H new ATOM 405 N LYS A 51 -11.447 4.465 -2.264 1.00 0.00 N ATOM 406 CA LYS A 51 -12.044 5.787 -2.138 1.00 0.00 C ATOM 407 C LYS A 51 -13.049 6.030 -3.254 1.00 0.00 C ATOM 408 O LYS A 51 -14.047 6.716 -3.064 1.00 0.00 O ATOM 409 CB LYS A 51 -10.978 6.887 -2.160 1.00 0.00 C ATOM 410 CG LYS A 51 -11.578 8.281 -2.071 1.00 0.00 C ATOM 411 CD LYS A 51 -10.527 9.373 -2.147 1.00 0.00 C ATOM 412 CE LYS A 51 -11.177 10.746 -2.109 1.00 0.00 C ATOM 413 NZ LYS A 51 -10.178 11.844 -2.061 1.00 0.00 N ATOM 0 H LYS A 51 -10.458 4.469 -2.515 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.557 5.822 -1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.289 6.738 -1.328 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.394 6.804 -3.077 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.296 8.416 -2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.129 8.377 -1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.829 9.272 -1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.948 9.264 -3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.808 10.871 -2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.828 10.813 -1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.670 12.760 -2.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.592 11.743 -1.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.572 11.799 -2.905 1.00 0.00 H new ATOM 427 N LEU A 52 -12.779 5.469 -4.419 1.00 0.00 N ATOM 428 CA LEU A 52 -13.654 5.647 -5.564 1.00 0.00 C ATOM 429 C LEU A 52 -15.035 5.054 -5.282 1.00 0.00 C ATOM 430 O LEU A 52 -16.053 5.726 -5.444 1.00 0.00 O ATOM 431 CB LEU A 52 -13.029 4.981 -6.793 1.00 0.00 C ATOM 432 CG LEU A 52 -13.768 5.190 -8.113 1.00 0.00 C ATOM 433 CD1 LEU A 52 -13.759 6.659 -8.507 1.00 0.00 C ATOM 434 CD2 LEU A 52 -13.140 4.338 -9.205 1.00 0.00 C ATOM 0 H LEU A 52 -11.961 4.886 -4.597 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.775 6.713 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.011 5.354 -6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.957 3.910 -6.605 1.00 0.00 H new ATOM 0 HG LEU A 52 -14.805 4.881 -7.983 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -14.291 6.786 -9.450 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -14.250 7.247 -7.732 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.730 6.999 -8.622 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.675 4.495 -10.142 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.095 4.621 -9.332 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.199 3.286 -8.925 1.00 0.00 H new ATOM 446 N ASP A 53 -15.059 3.806 -4.832 1.00 0.00 N ATOM 447 CA ASP A 53 -16.315 3.121 -4.537 1.00 0.00 C ATOM 448 C ASP A 53 -16.904 3.551 -3.192 1.00 0.00 C ATOM 449 O ASP A 53 -18.089 3.867 -3.095 1.00 0.00 O ATOM 450 CB ASP A 53 -16.115 1.605 -4.551 1.00 0.00 C ATOM 451 CG ASP A 53 -17.430 0.855 -4.475 1.00 0.00 C ATOM 452 OD1 ASP A 53 -17.906 0.587 -3.351 1.00 0.00 O ATOM 453 OD2 ASP A 53 -18.000 0.542 -5.544 1.00 0.00 O ATOM 0 H ASP A 53 -14.224 3.246 -4.663 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.022 3.403 -5.317 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.587 1.318 -5.460 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -15.484 1.315 -3.711 1.00 0.00 H new ATOM 458 N ASN A 54 -16.060 3.583 -2.165 1.00 0.00 N ATOM 459 CA ASN A 54 -16.518 3.774 -0.785 1.00 0.00 C ATOM 460 C ASN A 54 -16.484 5.240 -0.374 1.00 0.00 C ATOM 461 O ASN A 54 -16.804 5.575 0.768 1.00 0.00 O ATOM 462 CB ASN A 54 -15.651 2.964 0.185 1.00 0.00 C ATOM 463 CG ASN A 54 -15.656 1.476 -0.107 1.00 0.00 C ATOM 464 OD1 ASN A 54 -16.474 0.727 0.421 1.00 0.00 O ATOM 465 ND2 ASN A 54 -14.735 1.036 -0.949 1.00 0.00 N ATOM 0 H ASN A 54 -15.050 3.479 -2.259 1.00 0.00 H new ATOM 0 HA ASN A 54 -17.550 3.426 -0.741 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.626 3.333 0.140 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -16.005 3.129 1.203 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.687 0.044 -1.180 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.073 1.689 -1.367 1.00 0.00 H new ATOM 472 N SER A 55 -16.057 6.098 -1.297 1.00 0.00 N ATOM 473 CA SER A 55 -16.037 7.547 -1.088 1.00 0.00 C ATOM 474 C SER A 55 -14.973 7.977 -0.068 1.00 0.00 C ATOM 475 O SER A 55 -14.906 9.151 0.303 1.00 0.00 O ATOM 476 CB SER A 55 -17.419 8.038 -0.648 1.00 0.00 C ATOM 477 OG SER A 55 -18.425 7.599 -1.549 1.00 0.00 O ATOM 0 H SER A 55 -15.714 5.810 -2.213 1.00 0.00 H new ATOM 0 HA SER A 55 -15.774 8.005 -2.041 1.00 0.00 H new ATOM 0 HB2 SER A 55 -17.638 7.670 0.354 1.00 0.00 H new ATOM 0 HB3 SER A 55 -17.423 9.127 -0.596 1.00 0.00 H new ATOM 0 HG SER A 55 -19.299 7.923 -1.247 1.00 0.00 H new ATOM 483 N ARG A 56 -14.132 7.046 0.369 1.00 0.00 N ATOM 484 CA ARG A 56 -13.121 7.355 1.376 1.00 0.00 C ATOM 485 C ARG A 56 -12.004 6.316 1.367 1.00 0.00 C ATOM 486 O ARG A 56 -12.197 5.187 0.915 1.00 0.00 O ATOM 487 CB ARG A 56 -13.766 7.417 2.766 1.00 0.00 C ATOM 488 CG ARG A 56 -14.275 6.075 3.272 1.00 0.00 C ATOM 489 CD ARG A 56 -13.462 5.593 4.462 1.00 0.00 C ATOM 490 NE ARG A 56 -13.623 6.473 5.621 1.00 0.00 N ATOM 491 CZ ARG A 56 -12.687 6.682 6.547 1.00 0.00 C ATOM 492 NH1 ARG A 56 -11.485 6.132 6.422 1.00 0.00 N ATOM 493 NH2 ARG A 56 -12.948 7.463 7.588 1.00 0.00 N ATOM 0 H ARG A 56 -14.129 6.079 0.046 1.00 0.00 H new ATOM 0 HA ARG A 56 -12.687 8.326 1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -13.038 7.809 3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.597 8.122 2.739 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -15.323 6.164 3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.224 5.338 2.471 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.770 4.582 4.727 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.409 5.543 4.187 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.513 6.960 5.727 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.274 5.546 5.614 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.773 6.295 7.134 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.864 7.903 7.679 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.233 7.624 8.297 1.00 0.00 H new ATOM 507 N TYR A 57 -10.841 6.713 1.868 1.00 0.00 N ATOM 508 CA TYR A 57 -9.686 5.829 1.956 1.00 0.00 C ATOM 509 C TYR A 57 -9.856 4.810 3.079 1.00 0.00 C ATOM 510 O TYR A 57 -10.487 5.089 4.097 1.00 0.00 O ATOM 511 CB TYR A 57 -8.407 6.633 2.195 1.00 0.00 C ATOM 512 CG TYR A 57 -7.880 7.340 0.970 1.00 0.00 C ATOM 513 CD1 TYR A 57 -7.235 6.634 -0.038 1.00 0.00 C ATOM 514 CD2 TYR A 57 -8.008 8.713 0.831 1.00 0.00 C ATOM 515 CE1 TYR A 57 -6.731 7.280 -1.149 1.00 0.00 C ATOM 516 CE2 TYR A 57 -7.510 9.365 -0.279 1.00 0.00 C ATOM 517 CZ TYR A 57 -6.872 8.646 -1.264 1.00 0.00 C ATOM 518 OH TYR A 57 -6.366 9.299 -2.362 1.00 0.00 O ATOM 0 H TYR A 57 -10.672 7.654 2.224 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.609 5.299 1.007 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.596 7.372 2.973 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.635 5.962 2.573 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.126 5.563 0.049 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.505 9.282 1.603 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.229 6.718 -1.923 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.621 10.435 -0.374 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.552 10.258 -2.287 1.00 0.00 H new ATOM 528 N PRO A 58 -9.291 3.611 2.898 1.00 0.00 N ATOM 529 CA PRO A 58 -9.371 2.538 3.890 1.00 0.00 C ATOM 530 C PRO A 58 -8.485 2.800 5.105 1.00 0.00 C ATOM 531 O PRO A 58 -7.505 3.542 5.026 1.00 0.00 O ATOM 532 CB PRO A 58 -8.865 1.319 3.123 1.00 0.00 C ATOM 533 CG PRO A 58 -7.955 1.872 2.085 1.00 0.00 C ATOM 534 CD PRO A 58 -8.517 3.211 1.708 1.00 0.00 C ATOM 0 HA PRO A 58 -10.379 2.427 4.291 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.339 0.628 3.782 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.689 0.766 2.672 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.940 1.970 2.469 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.906 1.212 1.219 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.727 3.928 1.484 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.149 3.145 0.822 1.00 0.00 H new ATOM 542 N THR A 59 -8.843 2.190 6.226 1.00 0.00 N ATOM 543 CA THR A 59 -8.052 2.280 7.442 1.00 0.00 C ATOM 544 C THR A 59 -6.961 1.213 7.445 1.00 0.00 C ATOM 545 O THR A 59 -6.883 0.413 6.514 1.00 0.00 O ATOM 546 CB THR A 59 -8.938 2.126 8.688 1.00 0.00 C ATOM 547 OG1 THR A 59 -9.766 0.967 8.550 1.00 0.00 O ATOM 548 CG2 THR A 59 -9.807 3.357 8.888 1.00 0.00 C ATOM 0 H THR A 59 -9.685 1.622 6.317 1.00 0.00 H new ATOM 0 HA THR A 59 -7.588 3.266 7.469 1.00 0.00 H new ATOM 0 HB THR A 59 -8.293 2.013 9.560 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.687 1.244 8.360 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.426 3.225 9.776 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.172 4.234 9.015 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.447 3.496 8.017 1.00 0.00 H new ATOM 556 N THR A 60 -6.132 1.199 8.484 1.00 0.00 N ATOM 557 CA THR A 60 -4.961 0.323 8.537 1.00 0.00 C ATOM 558 C THR A 60 -5.305 -1.144 8.237 1.00 0.00 C ATOM 559 O THR A 60 -4.567 -1.823 7.521 1.00 0.00 O ATOM 560 CB THR A 60 -4.237 0.435 9.904 1.00 0.00 C ATOM 561 OG1 THR A 60 -3.053 -0.372 9.911 1.00 0.00 O ATOM 562 CG2 THR A 60 -5.141 0.016 11.051 1.00 0.00 C ATOM 0 H THR A 60 -6.249 1.789 9.308 1.00 0.00 H new ATOM 0 HA THR A 60 -4.288 0.666 7.752 1.00 0.00 H new ATOM 0 HB THR A 60 -3.966 1.482 10.044 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.375 0.036 9.333 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.600 0.107 11.993 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.021 0.659 11.074 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.451 -1.019 10.910 1.00 0.00 H new ATOM 570 N GLU A 61 -6.429 -1.625 8.751 1.00 0.00 N ATOM 571 CA GLU A 61 -6.831 -3.005 8.509 1.00 0.00 C ATOM 572 C GLU A 61 -7.385 -3.166 7.099 1.00 0.00 C ATOM 573 O GLU A 61 -7.064 -4.119 6.390 1.00 0.00 O ATOM 574 CB GLU A 61 -7.885 -3.447 9.526 1.00 0.00 C ATOM 575 CG GLU A 61 -7.417 -3.380 10.968 1.00 0.00 C ATOM 576 CD GLU A 61 -6.138 -4.158 11.206 1.00 0.00 C ATOM 577 OE1 GLU A 61 -5.115 -3.534 11.561 1.00 0.00 O ATOM 578 OE2 GLU A 61 -6.144 -5.396 11.034 1.00 0.00 O ATOM 0 H GLU A 61 -7.073 -1.088 9.332 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.947 -3.633 8.617 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.770 -2.821 9.412 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.187 -4.470 9.300 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.260 -2.338 11.247 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.200 -3.769 11.618 1.00 0.00 H new ATOM 585 N GLN A 62 -8.207 -2.210 6.698 1.00 0.00 N ATOM 586 CA GLN A 62 -8.920 -2.282 5.432 1.00 0.00 C ATOM 587 C GLN A 62 -7.987 -2.058 4.239 1.00 0.00 C ATOM 588 O GLN A 62 -8.243 -2.557 3.147 1.00 0.00 O ATOM 589 CB GLN A 62 -10.055 -1.255 5.423 1.00 0.00 C ATOM 590 CG GLN A 62 -10.965 -1.361 6.638 1.00 0.00 C ATOM 591 CD GLN A 62 -12.054 -0.306 6.672 1.00 0.00 C ATOM 592 OE1 GLN A 62 -12.454 0.152 7.742 1.00 0.00 O ATOM 593 NE2 GLN A 62 -12.570 0.068 5.517 1.00 0.00 N ATOM 0 H GLN A 62 -8.399 -1.366 7.238 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.334 -3.285 5.333 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.629 -0.252 5.381 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.649 -1.387 4.519 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.426 -2.349 6.652 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.362 -1.279 7.542 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.216 -0.331 4.647 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.323 0.756 5.494 1.00 0.00 H new ATOM 602 N GLY A 63 -6.909 -1.315 4.459 1.00 0.00 N ATOM 603 CA GLY A 63 -6.023 -0.937 3.369 1.00 0.00 C ATOM 604 C GLY A 63 -5.305 -2.108 2.724 1.00 0.00 C ATOM 605 O GLY A 63 -5.330 -2.253 1.503 1.00 0.00 O ATOM 0 H GLY A 63 -6.630 -0.965 5.376 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.603 -0.415 2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.282 -0.232 3.745 1.00 0.00 H new ATOM 609 N LEU A 64 -4.674 -2.952 3.532 1.00 0.00 N ATOM 610 CA LEU A 64 -3.944 -4.101 2.998 1.00 0.00 C ATOM 611 C LEU A 64 -4.903 -5.150 2.447 1.00 0.00 C ATOM 612 O LEU A 64 -4.604 -5.832 1.467 1.00 0.00 O ATOM 613 CB LEU A 64 -3.041 -4.727 4.058 1.00 0.00 C ATOM 614 CG LEU A 64 -1.806 -3.916 4.452 1.00 0.00 C ATOM 615 CD1 LEU A 64 -1.364 -3.017 3.317 1.00 0.00 C ATOM 616 CD2 LEU A 64 -2.064 -3.117 5.718 1.00 0.00 C ATOM 0 H LEU A 64 -4.651 -2.867 4.548 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.318 -3.737 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.636 -4.904 4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.711 -5.701 3.696 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.994 -4.614 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.484 -2.451 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.120 -3.625 2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.169 -2.327 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.171 -2.549 5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.895 -2.431 5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.311 -3.797 6.533 1.00 0.00 H new ATOM 628 N GLN A 65 -6.063 -5.265 3.077 1.00 0.00 N ATOM 629 CA GLN A 65 -7.063 -6.245 2.673 1.00 0.00 C ATOM 630 C GLN A 65 -7.725 -5.863 1.355 1.00 0.00 C ATOM 631 O GLN A 65 -8.187 -6.730 0.619 1.00 0.00 O ATOM 632 CB GLN A 65 -8.131 -6.394 3.758 1.00 0.00 C ATOM 633 CG GLN A 65 -7.680 -7.195 4.967 1.00 0.00 C ATOM 634 CD GLN A 65 -7.368 -8.638 4.624 1.00 0.00 C ATOM 635 OE1 GLN A 65 -8.257 -9.491 4.621 1.00 0.00 O ATOM 636 NE2 GLN A 65 -6.104 -8.928 4.356 1.00 0.00 N ATOM 0 H GLN A 65 -6.337 -4.690 3.873 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.549 -7.196 2.533 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.440 -5.402 4.088 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.009 -6.873 3.325 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.795 -6.728 5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.459 -7.166 5.729 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.398 -8.192 4.369 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.836 -9.887 4.137 1.00 0.00 H new ATOM 645 N ALA A 66 -7.729 -4.571 1.045 1.00 0.00 N ATOM 646 CA ALA A 66 -8.453 -4.050 -0.114 1.00 0.00 C ATOM 647 C ALA A 66 -7.973 -4.666 -1.428 1.00 0.00 C ATOM 648 O ALA A 66 -8.707 -4.686 -2.415 1.00 0.00 O ATOM 649 CB ALA A 66 -8.321 -2.537 -0.168 1.00 0.00 C ATOM 0 H ALA A 66 -7.236 -3.859 1.583 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.501 -4.326 0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.862 -2.155 -1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.737 -2.103 0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.268 -2.266 -0.250 1.00 0.00 H new ATOM 655 N LEU A 67 -6.749 -5.172 -1.436 1.00 0.00 N ATOM 656 CA LEU A 67 -6.189 -5.776 -2.636 1.00 0.00 C ATOM 657 C LEU A 67 -6.530 -7.262 -2.750 1.00 0.00 C ATOM 658 O LEU A 67 -6.446 -7.827 -3.834 1.00 0.00 O ATOM 659 CB LEU A 67 -4.670 -5.624 -2.665 1.00 0.00 C ATOM 660 CG LEU A 67 -4.099 -4.413 -3.398 1.00 0.00 C ATOM 661 CD1 LEU A 67 -2.584 -4.516 -3.429 1.00 0.00 C ATOM 662 CD2 LEU A 67 -4.644 -4.318 -4.814 1.00 0.00 C ATOM 0 H LEU A 67 -6.126 -5.177 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.635 -5.248 -3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.315 -5.592 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.250 -6.521 -3.119 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.398 -3.511 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.171 -3.653 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.200 -4.540 -2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.292 -5.429 -3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.219 -3.445 -5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.375 -5.217 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.729 -4.223 -4.781 1.00 0.00 H new ATOM 674 N VAL A 68 -6.911 -7.896 -1.647 1.00 0.00 N ATOM 675 CA VAL A 68 -7.064 -9.350 -1.638 1.00 0.00 C ATOM 676 C VAL A 68 -8.475 -9.799 -1.236 1.00 0.00 C ATOM 677 O VAL A 68 -9.092 -10.616 -1.921 1.00 0.00 O ATOM 678 CB VAL A 68 -6.001 -10.022 -0.727 1.00 0.00 C ATOM 679 CG1 VAL A 68 -6.000 -9.428 0.671 1.00 0.00 C ATOM 680 CG2 VAL A 68 -6.208 -11.528 -0.665 1.00 0.00 C ATOM 0 H VAL A 68 -7.117 -7.437 -0.760 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.905 -9.678 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.026 -9.825 -1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.243 -9.925 1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.777 -8.363 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.980 -9.569 1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.450 -11.973 -0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.198 -11.743 -0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.124 -11.948 -1.667 1.00 0.00 H new ATOM 690 N SER A 69 -8.995 -9.260 -0.147 1.00 0.00 N ATOM 691 CA SER A 69 -10.299 -9.668 0.346 1.00 0.00 C ATOM 692 C SER A 69 -11.027 -8.469 0.931 1.00 0.00 C ATOM 693 O SER A 69 -10.472 -7.744 1.756 1.00 0.00 O ATOM 694 CB SER A 69 -10.143 -10.769 1.404 1.00 0.00 C ATOM 695 OG SER A 69 -11.405 -11.274 1.813 1.00 0.00 O ATOM 0 H SER A 69 -8.536 -8.541 0.412 1.00 0.00 H new ATOM 0 HA SER A 69 -10.886 -10.065 -0.482 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.538 -11.581 1.001 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.610 -10.373 2.268 1.00 0.00 H new ATOM 0 HG SER A 69 -11.275 -11.975 2.486 1.00 0.00 H new ATOM 701 N ALA A 70 -12.272 -8.277 0.506 1.00 0.00 N ATOM 702 CA ALA A 70 -13.048 -7.116 0.912 1.00 0.00 C ATOM 703 C ALA A 70 -13.145 -7.027 2.427 1.00 0.00 C ATOM 704 O ALA A 70 -13.621 -7.956 3.083 1.00 0.00 O ATOM 705 CB ALA A 70 -14.437 -7.176 0.301 1.00 0.00 C ATOM 0 H ALA A 70 -12.764 -8.914 -0.121 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.538 -6.223 0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.009 -6.302 0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.356 -7.189 -0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -14.944 -8.080 0.638 1.00 0.00 H new ATOM 711 N PRO A 71 -12.668 -5.911 2.995 1.00 0.00 N ATOM 712 CA PRO A 71 -12.734 -5.655 4.435 1.00 0.00 C ATOM 713 C PRO A 71 -14.152 -5.747 4.981 1.00 0.00 C ATOM 714 O PRO A 71 -15.103 -5.250 4.370 1.00 0.00 O ATOM 715 CB PRO A 71 -12.213 -4.224 4.562 1.00 0.00 C ATOM 716 CG PRO A 71 -11.330 -4.047 3.381 1.00 0.00 C ATOM 717 CD PRO A 71 -11.984 -4.820 2.278 1.00 0.00 C ATOM 0 HA PRO A 71 -12.163 -6.389 5.003 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.030 -3.502 4.560 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.665 -4.082 5.493 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.231 -2.994 3.118 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.326 -4.421 3.581 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.686 -4.205 1.716 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.253 -5.202 1.565 1.00 0.00 H new ATOM 725 N SER A 72 -14.285 -6.389 6.131 1.00 0.00 N ATOM 726 CA SER A 72 -15.568 -6.514 6.797 1.00 0.00 C ATOM 727 C SER A 72 -15.897 -5.232 7.556 1.00 0.00 C ATOM 728 O SER A 72 -17.046 -4.993 7.934 1.00 0.00 O ATOM 729 CB SER A 72 -15.538 -7.713 7.747 1.00 0.00 C ATOM 730 OG SER A 72 -15.092 -8.878 7.070 1.00 0.00 O ATOM 0 H SER A 72 -13.512 -6.835 6.625 1.00 0.00 H new ATOM 0 HA SER A 72 -16.346 -6.675 6.051 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.878 -7.500 8.588 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.533 -7.883 8.157 1.00 0.00 H new ATOM 0 HG SER A 72 -15.078 -9.634 7.694 1.00 0.00 H new ATOM 736 N ALA A 73 -14.876 -4.410 7.770 1.00 0.00 N ATOM 737 CA ALA A 73 -15.043 -3.126 8.428 1.00 0.00 C ATOM 738 C ALA A 73 -15.694 -2.118 7.486 1.00 0.00 C ATOM 739 O ALA A 73 -15.485 -2.165 6.273 1.00 0.00 O ATOM 740 CB ALA A 73 -13.695 -2.611 8.910 1.00 0.00 C ATOM 0 H ALA A 73 -13.916 -4.616 7.493 1.00 0.00 H new ATOM 0 HA ALA A 73 -15.699 -3.258 9.289 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.828 -1.648 9.402 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.265 -3.322 9.615 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.025 -2.493 8.058 1.00 0.00 H new ATOM 746 N GLU A 74 -16.491 -1.224 8.054 1.00 0.00 N ATOM 747 CA GLU A 74 -17.195 -0.206 7.285 1.00 0.00 C ATOM 748 C GLU A 74 -16.223 0.901 6.874 1.00 0.00 C ATOM 749 O GLU A 74 -15.406 1.345 7.682 1.00 0.00 O ATOM 750 CB GLU A 74 -18.349 0.355 8.138 1.00 0.00 C ATOM 751 CG GLU A 74 -19.305 1.307 7.419 1.00 0.00 C ATOM 752 CD GLU A 74 -18.753 2.710 7.251 1.00 0.00 C ATOM 753 OE1 GLU A 74 -18.225 3.268 8.236 1.00 0.00 O ATOM 754 OE2 GLU A 74 -18.867 3.272 6.141 1.00 0.00 O ATOM 0 H GLU A 74 -16.668 -1.183 9.058 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.609 -0.642 6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.926 -0.482 8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.922 0.877 8.995 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -19.541 0.898 6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -20.241 1.358 7.976 1.00 0.00 H new ATOM 761 N PRO A 75 -16.290 1.366 5.614 1.00 0.00 N ATOM 762 CA PRO A 75 -17.222 0.845 4.610 1.00 0.00 C ATOM 763 C PRO A 75 -16.749 -0.467 3.989 1.00 0.00 C ATOM 764 O PRO A 75 -15.590 -0.591 3.585 1.00 0.00 O ATOM 765 CB PRO A 75 -17.252 1.953 3.560 1.00 0.00 C ATOM 766 CG PRO A 75 -15.912 2.599 3.650 1.00 0.00 C ATOM 767 CD PRO A 75 -15.468 2.467 5.082 1.00 0.00 C ATOM 0 HA PRO A 75 -18.196 0.612 5.041 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -17.430 1.549 2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -18.050 2.668 3.762 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -15.203 2.116 2.978 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -15.966 3.647 3.356 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -14.404 2.239 5.150 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -15.632 3.391 5.637 1.00 0.00 H new ATOM 775 N HIS A 76 -17.653 -1.440 3.928 1.00 0.00 N ATOM 776 CA HIS A 76 -17.363 -2.722 3.298 1.00 0.00 C ATOM 777 C HIS A 76 -17.036 -2.498 1.833 1.00 0.00 C ATOM 778 O HIS A 76 -17.859 -1.953 1.096 1.00 0.00 O ATOM 779 CB HIS A 76 -18.570 -3.662 3.405 1.00 0.00 C ATOM 780 CG HIS A 76 -18.238 -5.110 3.206 1.00 0.00 C ATOM 781 ND1 HIS A 76 -18.309 -6.040 4.220 1.00 0.00 N ATOM 782 CD2 HIS A 76 -17.844 -5.792 2.103 1.00 0.00 C ATOM 783 CE1 HIS A 76 -17.968 -7.227 3.751 1.00 0.00 C ATOM 784 NE2 HIS A 76 -17.684 -7.104 2.470 1.00 0.00 N ATOM 0 H HIS A 76 -18.596 -1.364 4.309 1.00 0.00 H new ATOM 0 HA HIS A 76 -16.515 -3.178 3.808 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -19.028 -3.537 4.386 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -19.314 -3.366 2.665 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -17.685 -5.379 1.118 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.929 -8.143 4.321 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -17.393 -7.861 1.852 1.00 0.00 H new ATOM 793 N ALA A 77 -15.843 -2.902 1.419 1.00 0.00 N ATOM 794 CA ALA A 77 -15.441 -2.751 0.029 1.00 0.00 C ATOM 795 C ALA A 77 -16.449 -3.428 -0.884 1.00 0.00 C ATOM 796 O ALA A 77 -16.699 -4.628 -0.771 1.00 0.00 O ATOM 797 CB ALA A 77 -14.054 -3.328 -0.188 1.00 0.00 C ATOM 0 H ALA A 77 -15.142 -3.334 2.021 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.411 -1.689 -0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.769 -3.207 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.339 -2.804 0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.057 -4.388 0.067 1.00 0.00 H new ATOM 803 N ARG A 78 -17.027 -2.648 -1.779 1.00 0.00 N ATOM 804 CA ARG A 78 -18.046 -3.126 -2.667 1.00 0.00 C ATOM 805 C ARG A 78 -17.495 -3.175 -4.089 1.00 0.00 C ATOM 806 O ARG A 78 -16.543 -2.460 -4.408 1.00 0.00 O ATOM 807 CB ARG A 78 -19.251 -2.187 -2.574 1.00 0.00 C ATOM 808 CG ARG A 78 -20.353 -2.535 -3.538 1.00 0.00 C ATOM 809 CD ARG A 78 -21.061 -3.814 -3.128 1.00 0.00 C ATOM 810 NE ARG A 78 -21.856 -4.371 -4.220 1.00 0.00 N ATOM 811 CZ ARG A 78 -22.201 -5.655 -4.313 1.00 0.00 C ATOM 812 NH1 ARG A 78 -21.824 -6.520 -3.377 1.00 0.00 N ATOM 813 NH2 ARG A 78 -22.918 -6.071 -5.350 1.00 0.00 N ATOM 0 H ARG A 78 -16.795 -1.663 -1.903 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.359 -4.133 -2.390 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.645 -2.212 -1.558 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.922 -1.165 -2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -21.072 -1.717 -3.582 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -19.940 -2.651 -4.540 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -20.324 -4.549 -2.804 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -21.708 -3.613 -2.274 1.00 0.00 H new ATOM 0 HE ARG A 78 -22.166 -3.738 -4.957 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -21.268 -6.202 -2.583 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -22.091 -7.502 -3.453 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -23.203 -5.409 -6.072 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -23.184 -7.053 -5.425 1.00 0.00 H new ATOM 827 N ASN A 79 -18.074 -4.041 -4.923 1.00 0.00 N ATOM 828 CA ASN A 79 -17.672 -4.159 -6.324 1.00 0.00 C ATOM 829 C ASN A 79 -16.244 -4.663 -6.419 1.00 0.00 C ATOM 830 O ASN A 79 -15.443 -4.175 -7.216 1.00 0.00 O ATOM 831 CB ASN A 79 -17.824 -2.818 -7.050 1.00 0.00 C ATOM 832 CG ASN A 79 -19.275 -2.453 -7.292 1.00 0.00 C ATOM 833 OD1 ASN A 79 -20.104 -3.316 -7.586 1.00 0.00 O ATOM 834 ND2 ASN A 79 -19.599 -1.183 -7.127 1.00 0.00 N ATOM 0 H ASN A 79 -18.826 -4.673 -4.650 1.00 0.00 H new ATOM 0 HA ASN A 79 -18.328 -4.880 -6.812 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -17.348 -2.033 -6.462 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -17.300 -2.863 -8.004 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -20.567 -0.885 -7.243 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -18.881 -0.501 -6.884 1.00 0.00 H new ATOM 841 N TYR A 80 -15.937 -5.650 -5.597 1.00 0.00 N ATOM 842 CA TYR A 80 -14.597 -6.202 -5.539 1.00 0.00 C ATOM 843 C TYR A 80 -14.527 -7.504 -6.328 1.00 0.00 C ATOM 844 O TYR A 80 -15.464 -8.302 -6.311 1.00 0.00 O ATOM 845 CB TYR A 80 -14.174 -6.434 -4.081 1.00 0.00 C ATOM 846 CG TYR A 80 -14.974 -7.497 -3.355 1.00 0.00 C ATOM 847 CD1 TYR A 80 -14.466 -8.780 -3.190 1.00 0.00 C ATOM 848 CD2 TYR A 80 -16.230 -7.217 -2.829 1.00 0.00 C ATOM 849 CE1 TYR A 80 -15.184 -9.751 -2.522 1.00 0.00 C ATOM 850 CE2 TYR A 80 -16.955 -8.185 -2.162 1.00 0.00 C ATOM 851 CZ TYR A 80 -16.426 -9.450 -2.011 1.00 0.00 C ATOM 852 OH TYR A 80 -17.140 -10.415 -1.338 1.00 0.00 O ATOM 0 H TYR A 80 -16.601 -6.087 -4.958 1.00 0.00 H new ATOM 0 HA TYR A 80 -13.907 -5.487 -5.987 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -13.121 -6.714 -4.062 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -14.264 -5.494 -3.536 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -13.493 -9.021 -3.591 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -16.645 -6.227 -2.944 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -14.773 -10.742 -2.401 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -17.931 -7.953 -1.761 1.00 0.00 H new ATOM 0 HH TYR A 80 -17.995 -10.041 -1.040 1.00 0.00 H new ATOM 862 N PRO A 81 -13.424 -7.714 -7.055 1.00 0.00 N ATOM 863 CA PRO A 81 -13.203 -8.941 -7.822 1.00 0.00 C ATOM 864 C PRO A 81 -12.986 -10.148 -6.915 1.00 0.00 C ATOM 865 O PRO A 81 -12.393 -10.026 -5.842 1.00 0.00 O ATOM 866 CB PRO A 81 -11.929 -8.639 -8.619 1.00 0.00 C ATOM 867 CG PRO A 81 -11.231 -7.570 -7.852 1.00 0.00 C ATOM 868 CD PRO A 81 -12.306 -6.763 -7.187 1.00 0.00 C ATOM 0 HA PRO A 81 -14.060 -9.195 -8.446 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.304 -9.527 -8.714 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.166 -8.307 -9.630 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.554 -7.999 -7.114 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.629 -6.947 -8.513 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -11.983 -6.388 -6.216 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.586 -5.897 -7.787 1.00 0.00 H new ATOM 876 N GLU A 82 -13.488 -11.304 -7.336 1.00 0.00 N ATOM 877 CA GLU A 82 -13.272 -12.537 -6.594 1.00 0.00 C ATOM 878 C GLU A 82 -11.790 -12.875 -6.591 1.00 0.00 C ATOM 879 O GLU A 82 -11.165 -12.985 -7.649 1.00 0.00 O ATOM 880 CB GLU A 82 -14.068 -13.706 -7.190 1.00 0.00 C ATOM 881 CG GLU A 82 -15.576 -13.497 -7.208 1.00 0.00 C ATOM 882 CD GLU A 82 -16.033 -12.618 -8.352 1.00 0.00 C ATOM 883 OE1 GLU A 82 -16.250 -11.412 -8.134 1.00 0.00 O ATOM 884 OE2 GLU A 82 -16.171 -13.134 -9.482 1.00 0.00 O ATOM 0 H GLU A 82 -14.045 -11.411 -8.184 1.00 0.00 H new ATOM 0 HA GLU A 82 -13.622 -12.381 -5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.726 -13.880 -8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -13.845 -14.609 -6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -16.071 -14.465 -7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.887 -13.049 -6.265 1.00 0.00 H new ATOM 891 N GLY A 83 -11.232 -13.032 -5.402 1.00 0.00 N ATOM 892 CA GLY A 83 -9.808 -13.244 -5.272 1.00 0.00 C ATOM 893 C GLY A 83 -9.068 -11.928 -5.178 1.00 0.00 C ATOM 894 O GLY A 83 -7.838 -11.895 -5.148 1.00 0.00 O ATOM 0 H GLY A 83 -11.744 -13.016 -4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.606 -13.843 -4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.442 -13.810 -6.128 1.00 0.00 H new ATOM 898 N GLY A 84 -9.833 -10.843 -5.140 1.00 0.00 N ATOM 899 CA GLY A 84 -9.258 -9.521 -5.049 1.00 0.00 C ATOM 900 C GLY A 84 -8.520 -9.128 -6.308 1.00 0.00 C ATOM 901 O GLY A 84 -8.754 -9.689 -7.381 1.00 0.00 O ATOM 0 H GLY A 84 -10.852 -10.861 -5.171 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.048 -8.796 -4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.573 -9.483 -4.202 1.00 0.00 H new ATOM 905 N TYR A 85 -7.636 -8.160 -6.177 1.00 0.00 N ATOM 906 CA TYR A 85 -6.785 -7.737 -7.274 1.00 0.00 C ATOM 907 C TYR A 85 -5.527 -8.588 -7.274 1.00 0.00 C ATOM 908 O TYR A 85 -4.926 -8.859 -8.318 1.00 0.00 O ATOM 909 CB TYR A 85 -6.437 -6.258 -7.125 1.00 0.00 C ATOM 910 CG TYR A 85 -7.646 -5.351 -7.195 1.00 0.00 C ATOM 911 CD1 TYR A 85 -8.198 -4.802 -6.044 1.00 0.00 C ATOM 912 CD2 TYR A 85 -8.244 -5.056 -8.412 1.00 0.00 C ATOM 913 CE1 TYR A 85 -9.311 -3.986 -6.106 1.00 0.00 C ATOM 914 CE2 TYR A 85 -9.355 -4.239 -8.482 1.00 0.00 C ATOM 915 CZ TYR A 85 -9.884 -3.707 -7.327 1.00 0.00 C ATOM 916 OH TYR A 85 -10.995 -2.900 -7.394 1.00 0.00 O ATOM 0 H TYR A 85 -7.486 -7.644 -5.310 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.307 -7.867 -8.222 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.931 -6.105 -6.172 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.734 -5.976 -7.909 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -7.750 -5.017 -5.085 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -7.833 -5.473 -9.320 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.730 -3.569 -5.202 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.807 -4.018 -9.438 1.00 0.00 H new ATOM 0 HH TYR A 85 -10.740 -2.020 -7.742 1.00 0.00 H new ATOM 926 N ILE A 86 -5.149 -9.008 -6.081 1.00 0.00 N ATOM 927 CA ILE A 86 -4.068 -9.949 -5.884 1.00 0.00 C ATOM 928 C ILE A 86 -4.522 -10.988 -4.858 1.00 0.00 C ATOM 929 O ILE A 86 -4.945 -10.643 -3.757 1.00 0.00 O ATOM 930 CB ILE A 86 -2.763 -9.234 -5.441 1.00 0.00 C ATOM 931 CG1 ILE A 86 -1.661 -10.244 -5.106 1.00 0.00 C ATOM 932 CG2 ILE A 86 -3.024 -8.303 -4.266 1.00 0.00 C ATOM 933 CD1 ILE A 86 -0.351 -9.599 -4.694 1.00 0.00 C ATOM 0 H ILE A 86 -5.590 -8.701 -5.214 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.834 -10.445 -6.826 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.415 -8.630 -6.279 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.006 -10.892 -4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.486 -10.880 -5.974 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.094 -7.815 -3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.755 -7.548 -4.555 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.410 -8.878 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.382 -10.374 -4.472 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.018 -8.973 -5.507 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.511 -8.986 -3.807 1.00 0.00 H new ATOM 945 N ARG A 87 -4.454 -12.253 -5.245 1.00 0.00 N ATOM 946 CA ARG A 87 -5.049 -13.344 -4.471 1.00 0.00 C ATOM 947 C ARG A 87 -4.374 -13.539 -3.118 1.00 0.00 C ATOM 948 O ARG A 87 -4.946 -14.138 -2.211 1.00 0.00 O ATOM 949 CB ARG A 87 -5.011 -14.646 -5.271 1.00 0.00 C ATOM 950 CG ARG A 87 -5.940 -14.647 -6.475 1.00 0.00 C ATOM 951 CD ARG A 87 -5.870 -15.963 -7.233 1.00 0.00 C ATOM 952 NE ARG A 87 -4.554 -16.179 -7.834 1.00 0.00 N ATOM 953 CZ ARG A 87 -3.973 -17.371 -7.951 1.00 0.00 C ATOM 954 NH1 ARG A 87 -4.598 -18.466 -7.537 1.00 0.00 N ATOM 955 NH2 ARG A 87 -2.768 -17.469 -8.496 1.00 0.00 N ATOM 0 H ARG A 87 -3.988 -12.556 -6.100 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.085 -13.066 -4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.991 -14.825 -5.610 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.279 -15.474 -4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.964 -14.470 -6.146 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.673 -13.827 -7.142 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.098 -16.785 -6.554 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.631 -15.973 -8.013 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.050 -15.365 -8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.529 -18.397 -7.126 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.147 -19.376 -7.630 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.287 -16.632 -8.825 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.322 -18.382 -8.586 1.00 0.00 H new ATOM 969 N ARG A 88 -3.161 -13.043 -2.991 1.00 0.00 N ATOM 970 CA ARG A 88 -2.369 -13.254 -1.794 1.00 0.00 C ATOM 971 C ARG A 88 -1.831 -11.919 -1.297 1.00 0.00 C ATOM 972 O ARG A 88 -1.556 -11.029 -2.094 1.00 0.00 O ATOM 973 CB ARG A 88 -1.234 -14.230 -2.133 1.00 0.00 C ATOM 974 CG ARG A 88 -0.290 -14.566 -0.987 1.00 0.00 C ATOM 975 CD ARG A 88 0.960 -13.703 -1.027 1.00 0.00 C ATOM 976 NE ARG A 88 1.651 -13.800 -2.313 1.00 0.00 N ATOM 977 CZ ARG A 88 2.352 -12.808 -2.862 1.00 0.00 C ATOM 978 NH1 ARG A 88 2.446 -11.634 -2.247 1.00 0.00 N ATOM 979 NH2 ARG A 88 2.951 -12.988 -4.031 1.00 0.00 N ATOM 0 H ARG A 88 -2.697 -12.486 -3.708 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.975 -13.682 -0.996 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.674 -15.157 -2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.649 -13.809 -2.950 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.803 -14.421 -0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.010 -15.618 -1.041 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.690 -12.664 -0.838 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.636 -14.007 -0.228 1.00 0.00 H new ATOM 0 HE ARG A 88 1.593 -14.682 -2.821 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.981 -11.489 -1.351 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.984 -10.878 -2.671 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.875 -13.885 -4.510 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.487 -12.229 -4.451 1.00 0.00 H new ATOM 993 N LEU A 89 -1.708 -11.783 0.020 1.00 0.00 N ATOM 994 CA LEU A 89 -1.219 -10.554 0.634 1.00 0.00 C ATOM 995 C LEU A 89 0.128 -10.150 0.056 1.00 0.00 C ATOM 996 O LEU A 89 1.081 -10.928 0.094 1.00 0.00 O ATOM 997 CB LEU A 89 -1.066 -10.738 2.147 1.00 0.00 C ATOM 998 CG LEU A 89 -2.288 -10.398 3.005 1.00 0.00 C ATOM 999 CD1 LEU A 89 -2.602 -8.913 2.920 1.00 0.00 C ATOM 1000 CD2 LEU A 89 -3.495 -11.226 2.595 1.00 0.00 C ATOM 0 H LEU A 89 -1.943 -12.517 0.688 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.949 -9.772 0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.793 -11.776 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.232 -10.122 2.483 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.051 -10.644 4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.473 -8.689 3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.747 -8.339 3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.811 -8.644 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.347 -10.962 3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.737 -11.025 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.268 -12.285 2.718 1.00 0.00 H new ATOM 1012 N PRO A 90 0.222 -8.936 -0.505 1.00 0.00 N ATOM 1013 CA PRO A 90 1.491 -8.404 -0.983 1.00 0.00 C ATOM 1014 C PRO A 90 2.496 -8.326 0.156 1.00 0.00 C ATOM 1015 O PRO A 90 2.222 -7.732 1.199 1.00 0.00 O ATOM 1016 CB PRO A 90 1.145 -7.007 -1.511 1.00 0.00 C ATOM 1017 CG PRO A 90 -0.197 -6.686 -0.947 1.00 0.00 C ATOM 1018 CD PRO A 90 -0.891 -7.998 -0.722 1.00 0.00 C ATOM 0 HA PRO A 90 1.948 -9.029 -1.750 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.888 -6.274 -1.196 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.126 -6.994 -2.601 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -0.103 -6.132 -0.013 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -0.766 -6.059 -1.633 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -1.557 -7.958 0.140 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -1.497 -8.285 -1.581 1.00 0.00 H new ATOM 1026 N GLN A 91 3.642 -8.955 -0.036 1.00 0.00 N ATOM 1027 CA GLN A 91 4.653 -9.029 1.004 1.00 0.00 C ATOM 1028 C GLN A 91 6.026 -8.726 0.418 1.00 0.00 C ATOM 1029 O GLN A 91 6.305 -9.066 -0.736 1.00 0.00 O ATOM 1030 CB GLN A 91 4.646 -10.417 1.658 1.00 0.00 C ATOM 1031 CG GLN A 91 3.323 -10.778 2.328 1.00 0.00 C ATOM 1032 CD GLN A 91 3.376 -12.108 3.054 1.00 0.00 C ATOM 1033 OE1 GLN A 91 4.112 -13.013 2.665 1.00 0.00 O ATOM 1034 NE2 GLN A 91 2.600 -12.236 4.118 1.00 0.00 N ATOM 0 H GLN A 91 3.896 -9.423 -0.906 1.00 0.00 H new ATOM 0 HA GLN A 91 4.425 -8.287 1.769 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.874 -11.166 0.900 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.442 -10.462 2.401 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.053 -9.994 3.035 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.536 -10.812 1.574 1.00 0.00 H new ATOM 0 HE21 GLN A 91 2.003 -11.462 4.410 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.599 -13.108 4.646 1.00 0.00 H new ATOM 1043 N ASP A 92 6.861 -8.057 1.206 1.00 0.00 N ATOM 1044 CA ASP A 92 8.220 -7.718 0.799 1.00 0.00 C ATOM 1045 C ASP A 92 8.972 -8.983 0.413 1.00 0.00 C ATOM 1046 O ASP A 92 8.769 -10.036 1.018 1.00 0.00 O ATOM 1047 CB ASP A 92 8.991 -7.041 1.940 1.00 0.00 C ATOM 1048 CG ASP A 92 8.290 -5.845 2.556 1.00 0.00 C ATOM 1049 OD1 ASP A 92 7.081 -5.930 2.842 1.00 0.00 O ATOM 1050 OD2 ASP A 92 8.973 -4.833 2.804 1.00 0.00 O ATOM 0 H ASP A 92 6.616 -7.735 2.142 1.00 0.00 H new ATOM 0 HA ASP A 92 8.149 -7.033 -0.046 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.178 -7.778 2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.963 -6.721 1.564 1.00 0.00 H new ATOM 1055 N PRO A 93 9.865 -8.893 -0.591 1.00 0.00 N ATOM 1056 CA PRO A 93 10.681 -10.030 -1.040 1.00 0.00 C ATOM 1057 C PRO A 93 11.533 -10.615 0.083 1.00 0.00 C ATOM 1058 O PRO A 93 11.988 -11.756 -0.002 1.00 0.00 O ATOM 1059 CB PRO A 93 11.581 -9.429 -2.124 1.00 0.00 C ATOM 1060 CG PRO A 93 10.866 -8.208 -2.584 1.00 0.00 C ATOM 1061 CD PRO A 93 10.141 -7.679 -1.379 1.00 0.00 C ATOM 0 HA PRO A 93 10.059 -10.854 -1.391 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.566 -9.184 -1.728 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.733 -10.130 -2.945 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.566 -7.469 -2.975 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.168 -8.443 -3.388 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.751 -6.968 -0.822 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.223 -7.162 -1.657 1.00 0.00 H new ATOM 1069 N TRP A 94 11.744 -9.822 1.129 1.00 0.00 N ATOM 1070 CA TRP A 94 12.511 -10.257 2.290 1.00 0.00 C ATOM 1071 C TRP A 94 11.658 -11.104 3.235 1.00 0.00 C ATOM 1072 O TRP A 94 12.182 -11.776 4.123 1.00 0.00 O ATOM 1073 CB TRP A 94 13.080 -9.047 3.032 1.00 0.00 C ATOM 1074 CG TRP A 94 14.124 -8.311 2.249 1.00 0.00 C ATOM 1075 CD1 TRP A 94 15.445 -8.635 2.147 1.00 0.00 C ATOM 1076 CD2 TRP A 94 13.939 -7.127 1.464 1.00 0.00 C ATOM 1077 NE1 TRP A 94 16.093 -7.727 1.346 1.00 0.00 N ATOM 1078 CE2 TRP A 94 15.190 -6.792 0.914 1.00 0.00 C ATOM 1079 CE3 TRP A 94 12.837 -6.322 1.173 1.00 0.00 C ATOM 1080 CZ2 TRP A 94 15.369 -5.684 0.090 1.00 0.00 C ATOM 1081 CZ3 TRP A 94 13.015 -5.222 0.356 1.00 0.00 C ATOM 1082 CH2 TRP A 94 14.272 -4.912 -0.179 1.00 0.00 C ATOM 0 H TRP A 94 11.391 -8.867 1.195 1.00 0.00 H new ATOM 0 HA TRP A 94 13.334 -10.877 1.935 1.00 0.00 H new ATOM 0 HB2 TRP A 94 12.267 -8.362 3.274 1.00 0.00 H new ATOM 0 HB3 TRP A 94 13.510 -9.378 3.977 1.00 0.00 H new ATOM 0 HD1 TRP A 94 15.913 -9.482 2.626 1.00 0.00 H new ATOM 0 HE1 TRP A 94 17.085 -7.746 1.111 1.00 0.00 H new ATOM 0 HE3 TRP A 94 11.863 -6.554 1.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 16.338 -5.443 -0.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 12.170 -4.590 0.126 1.00 0.00 H new ATOM 0 HH2 TRP A 94 14.377 -4.047 -0.816 1.00 0.00 H new ATOM 1093 N GLY A 95 10.345 -11.076 3.034 1.00 0.00 N ATOM 1094 CA GLY A 95 9.452 -11.859 3.866 1.00 0.00 C ATOM 1095 C GLY A 95 8.674 -11.013 4.859 1.00 0.00 C ATOM 1096 O GLY A 95 8.166 -11.530 5.856 1.00 0.00 O ATOM 0 H GLY A 95 9.884 -10.525 2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.751 -12.399 3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.031 -12.606 4.409 1.00 0.00 H new ATOM 1100 N SER A 96 8.574 -9.721 4.588 1.00 0.00 N ATOM 1101 CA SER A 96 7.864 -8.807 5.473 1.00 0.00 C ATOM 1102 C SER A 96 6.454 -8.538 4.948 1.00 0.00 C ATOM 1103 O SER A 96 6.169 -8.771 3.778 1.00 0.00 O ATOM 1104 CB SER A 96 8.645 -7.497 5.596 1.00 0.00 C ATOM 1105 OG SER A 96 10.006 -7.745 5.928 1.00 0.00 O ATOM 0 H SER A 96 8.976 -9.280 3.761 1.00 0.00 H new ATOM 0 HA SER A 96 7.779 -9.265 6.458 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.590 -6.947 4.656 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.189 -6.868 6.361 1.00 0.00 H new ATOM 0 HG SER A 96 10.560 -7.001 5.613 1.00 0.00 H new ATOM 1111 N ASP A 97 5.576 -8.063 5.818 1.00 0.00 N ATOM 1112 CA ASP A 97 4.199 -7.753 5.440 1.00 0.00 C ATOM 1113 C ASP A 97 3.982 -6.244 5.416 1.00 0.00 C ATOM 1114 O ASP A 97 4.205 -5.567 6.421 1.00 0.00 O ATOM 1115 CB ASP A 97 3.225 -8.422 6.415 1.00 0.00 C ATOM 1116 CG ASP A 97 1.806 -7.907 6.287 1.00 0.00 C ATOM 1117 OD1 ASP A 97 1.305 -7.287 7.251 1.00 0.00 O ATOM 1118 OD2 ASP A 97 1.174 -8.139 5.237 1.00 0.00 O ATOM 0 H ASP A 97 5.791 -7.882 6.798 1.00 0.00 H new ATOM 0 HA ASP A 97 4.012 -8.141 4.439 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.231 -9.498 6.243 1.00 0.00 H new ATOM 0 HB3 ASP A 97 3.573 -8.260 7.435 1.00 0.00 H new ATOM 1123 N TYR A 98 3.548 -5.735 4.260 1.00 0.00 N ATOM 1124 CA TYR A 98 3.388 -4.294 4.033 1.00 0.00 C ATOM 1125 C TYR A 98 2.515 -3.629 5.088 1.00 0.00 C ATOM 1126 O TYR A 98 1.570 -4.222 5.608 1.00 0.00 O ATOM 1127 CB TYR A 98 2.784 -4.029 2.652 1.00 0.00 C ATOM 1128 CG TYR A 98 3.765 -4.178 1.512 1.00 0.00 C ATOM 1129 CD1 TYR A 98 4.067 -5.426 0.997 1.00 0.00 C ATOM 1130 CD2 TYR A 98 4.384 -3.069 0.948 1.00 0.00 C ATOM 1131 CE1 TYR A 98 4.955 -5.573 -0.047 1.00 0.00 C ATOM 1132 CE2 TYR A 98 5.275 -3.208 -0.098 1.00 0.00 C ATOM 1133 CZ TYR A 98 5.556 -4.465 -0.591 1.00 0.00 C ATOM 1134 OH TYR A 98 6.439 -4.614 -1.631 1.00 0.00 O ATOM 0 H TYR A 98 3.297 -6.309 3.455 1.00 0.00 H new ATOM 0 HA TYR A 98 4.387 -3.862 4.097 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.952 -4.715 2.493 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.373 -3.020 2.634 1.00 0.00 H new ATOM 0 HD1 TYR A 98 3.598 -6.302 1.421 1.00 0.00 H new ATOM 0 HD2 TYR A 98 4.165 -2.084 1.333 1.00 0.00 H new ATOM 0 HE1 TYR A 98 5.177 -6.556 -0.435 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.749 -2.338 -0.527 1.00 0.00 H new ATOM 0 HH TYR A 98 6.228 -3.965 -2.335 1.00 0.00 H new ATOM 1144 N GLN A 99 2.825 -2.374 5.372 1.00 0.00 N ATOM 1145 CA GLN A 99 2.091 -1.610 6.362 1.00 0.00 C ATOM 1146 C GLN A 99 1.301 -0.487 5.709 1.00 0.00 C ATOM 1147 O GLN A 99 1.779 0.173 4.785 1.00 0.00 O ATOM 1148 CB GLN A 99 3.045 -1.026 7.406 1.00 0.00 C ATOM 1149 CG GLN A 99 3.497 -2.027 8.456 1.00 0.00 C ATOM 1150 CD GLN A 99 2.381 -2.430 9.396 1.00 0.00 C ATOM 1151 OE1 GLN A 99 1.457 -1.659 9.653 1.00 0.00 O ATOM 1152 NE2 GLN A 99 2.465 -3.637 9.924 1.00 0.00 N ATOM 0 H GLN A 99 3.586 -1.862 4.926 1.00 0.00 H new ATOM 0 HA GLN A 99 1.394 -2.288 6.853 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.923 -0.626 6.898 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.555 -0.189 7.903 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.888 -2.916 7.961 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.316 -1.597 9.033 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.248 -4.245 9.684 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.747 -3.961 10.572 1.00 0.00 H new ATOM 1161 N LEU A 100 0.083 -0.305 6.187 1.00 0.00 N ATOM 1162 CA LEU A 100 -0.768 0.797 5.773 1.00 0.00 C ATOM 1163 C LEU A 100 -1.282 1.481 7.027 1.00 0.00 C ATOM 1164 O LEU A 100 -1.886 0.837 7.882 1.00 0.00 O ATOM 1165 CB LEU A 100 -1.928 0.270 4.902 1.00 0.00 C ATOM 1166 CG LEU A 100 -2.949 1.302 4.378 1.00 0.00 C ATOM 1167 CD1 LEU A 100 -4.049 1.550 5.395 1.00 0.00 C ATOM 1168 CD2 LEU A 100 -2.277 2.615 4.025 1.00 0.00 C ATOM 0 H LEU A 100 -0.346 -0.921 6.877 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.211 1.514 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.497 -0.244 4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.471 -0.477 5.481 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.391 0.883 3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.753 2.281 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.572 0.616 5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.612 1.931 6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.024 3.319 3.659 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.794 3.026 4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.529 2.444 3.250 1.00 0.00 H new ATOM 1180 N LEU A 101 -1.020 2.768 7.155 1.00 0.00 N ATOM 1181 CA LEU A 101 -1.418 3.494 8.346 1.00 0.00 C ATOM 1182 C LEU A 101 -2.271 4.700 7.973 1.00 0.00 C ATOM 1183 O LEU A 101 -1.806 5.618 7.301 1.00 0.00 O ATOM 1184 CB LEU A 101 -0.167 3.916 9.138 1.00 0.00 C ATOM 1185 CG LEU A 101 -0.397 4.454 10.560 1.00 0.00 C ATOM 1186 CD1 LEU A 101 -0.823 5.912 10.537 1.00 0.00 C ATOM 1187 CD2 LEU A 101 -1.433 3.612 11.293 1.00 0.00 C ATOM 0 H LEU A 101 -0.536 3.329 6.454 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.023 2.845 8.979 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.500 3.056 9.204 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.356 4.682 8.565 1.00 0.00 H new ATOM 0 HG LEU A 101 0.550 4.387 11.096 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.978 6.262 11.558 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.046 6.511 10.062 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.752 6.011 9.975 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.581 4.010 12.297 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.377 3.641 10.749 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.084 2.582 11.359 1.00 0.00 H new ATOM 1199 N SER A 102 -3.534 4.653 8.365 1.00 0.00 N ATOM 1200 CA SER A 102 -4.436 5.781 8.203 1.00 0.00 C ATOM 1201 C SER A 102 -4.704 6.439 9.559 1.00 0.00 C ATOM 1202 O SER A 102 -5.057 5.749 10.517 1.00 0.00 O ATOM 1203 CB SER A 102 -5.743 5.302 7.577 1.00 0.00 C ATOM 1204 OG SER A 102 -5.482 4.440 6.485 1.00 0.00 O ATOM 0 H SER A 102 -3.961 3.836 8.802 1.00 0.00 H new ATOM 0 HA SER A 102 -3.976 6.520 7.546 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.342 4.781 8.324 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.327 6.158 7.241 1.00 0.00 H new ATOM 0 HG SER A 102 -6.286 4.363 5.930 1.00 0.00 H new ATOM 1210 N PRO A 103 -4.535 7.764 9.682 1.00 0.00 N ATOM 1211 CA PRO A 103 -4.043 8.634 8.620 1.00 0.00 C ATOM 1212 C PRO A 103 -2.521 8.615 8.545 1.00 0.00 C ATOM 1213 O PRO A 103 -1.839 8.665 9.569 1.00 0.00 O ATOM 1214 CB PRO A 103 -4.535 10.030 9.028 1.00 0.00 C ATOM 1215 CG PRO A 103 -5.215 9.874 10.355 1.00 0.00 C ATOM 1216 CD PRO A 103 -4.821 8.529 10.893 1.00 0.00 C ATOM 0 HA PRO A 103 -4.397 8.322 7.638 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -3.702 10.729 9.100 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.224 10.431 8.284 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.913 10.667 11.039 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.297 9.944 10.245 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -3.950 8.594 11.545 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -5.623 8.077 11.477 1.00 0.00 H new ATOM 1224 N GLY A 104 -2.002 8.558 7.329 1.00 0.00 N ATOM 1225 CA GLY A 104 -0.576 8.402 7.125 1.00 0.00 C ATOM 1226 C GLY A 104 0.238 9.599 7.567 1.00 0.00 C ATOM 1227 O GLY A 104 -0.305 10.668 7.853 1.00 0.00 O ATOM 0 H GLY A 104 -2.549 8.618 6.470 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.235 7.521 7.669 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.388 8.217 6.068 1.00 0.00 H new ATOM 1231 N GLN A 105 1.546 9.420 7.605 1.00 0.00 N ATOM 1232 CA GLN A 105 2.452 10.481 8.007 1.00 0.00 C ATOM 1233 C GLN A 105 2.986 11.199 6.776 1.00 0.00 C ATOM 1234 O GLN A 105 3.327 12.381 6.824 1.00 0.00 O ATOM 1235 CB GLN A 105 3.602 9.902 8.837 1.00 0.00 C ATOM 1236 CG GLN A 105 4.561 10.947 9.395 1.00 0.00 C ATOM 1237 CD GLN A 105 3.896 11.925 10.350 1.00 0.00 C ATOM 1238 OE1 GLN A 105 2.714 12.246 10.226 1.00 0.00 O ATOM 1239 NE2 GLN A 105 4.655 12.407 11.316 1.00 0.00 N ATOM 0 H GLN A 105 2.007 8.544 7.361 1.00 0.00 H new ATOM 0 HA GLN A 105 1.912 11.201 8.622 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.184 9.330 9.666 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.165 9.203 8.219 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.376 10.442 9.913 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.004 11.502 8.568 1.00 0.00 H new ATOM 0 HE21 GLN A 105 5.631 12.119 11.389 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.266 13.067 11.989 1.00 0.00 H new ATOM 1248 N HIS A 106 3.055 10.475 5.669 1.00 0.00 N ATOM 1249 CA HIS A 106 3.500 11.046 4.407 1.00 0.00 C ATOM 1250 C HIS A 106 2.310 11.540 3.586 1.00 0.00 C ATOM 1251 O HIS A 106 2.486 12.153 2.532 1.00 0.00 O ATOM 1252 CB HIS A 106 4.297 10.016 3.596 1.00 0.00 C ATOM 1253 CG HIS A 106 5.540 9.524 4.277 1.00 0.00 C ATOM 1254 ND1 HIS A 106 6.667 10.298 4.442 1.00 0.00 N ATOM 1255 CD2 HIS A 106 5.833 8.321 4.826 1.00 0.00 C ATOM 1256 CE1 HIS A 106 7.598 9.593 5.058 1.00 0.00 C ATOM 1257 NE2 HIS A 106 7.117 8.390 5.302 1.00 0.00 N ATOM 0 H HIS A 106 2.807 9.487 5.619 1.00 0.00 H new ATOM 0 HA HIS A 106 4.147 11.893 4.634 1.00 0.00 H new ATOM 0 HB2 HIS A 106 3.653 9.163 3.380 1.00 0.00 H new ATOM 0 HB3 HIS A 106 4.572 10.458 2.638 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.176 7.465 4.879 1.00 0.00 H new ATOM 0 HE1 HIS A 106 8.586 9.943 5.318 1.00 0.00 H new ATOM 0 HE2 HIS A 106 7.618 7.634 5.769 1.00 0.00 H new ATOM 1266 N GLY A 107 1.104 11.272 4.074 1.00 0.00 N ATOM 1267 CA GLY A 107 -0.096 11.684 3.367 1.00 0.00 C ATOM 1268 C GLY A 107 -1.358 11.249 4.085 1.00 0.00 C ATOM 1269 O GLY A 107 -1.361 11.108 5.306 1.00 0.00 O ATOM 0 H GLY A 107 0.935 10.776 4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.097 12.768 3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.087 11.262 2.362 1.00 0.00 H new ATOM 1273 N GLN A 108 -2.431 11.033 3.334 1.00 0.00 N ATOM 1274 CA GLN A 108 -3.692 10.577 3.913 1.00 0.00 C ATOM 1275 C GLN A 108 -3.586 9.115 4.329 1.00 0.00 C ATOM 1276 O GLN A 108 -4.005 8.735 5.425 1.00 0.00 O ATOM 1277 CB GLN A 108 -4.838 10.755 2.912 1.00 0.00 C ATOM 1278 CG GLN A 108 -6.185 10.252 3.412 1.00 0.00 C ATOM 1279 CD GLN A 108 -6.669 10.988 4.645 1.00 0.00 C ATOM 1280 OE1 GLN A 108 -7.341 12.015 4.544 1.00 0.00 O ATOM 1281 NE2 GLN A 108 -6.341 10.466 5.817 1.00 0.00 N ATOM 0 H GLN A 108 -2.455 11.166 2.323 1.00 0.00 H new ATOM 0 HA GLN A 108 -3.902 11.181 4.796 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -4.927 11.812 2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -4.586 10.230 1.990 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -6.924 10.358 2.618 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -6.109 9.188 3.637 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -5.783 9.613 5.857 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -6.647 10.917 6.679 1.00 0.00 H new ATOM 1290 N VAL A 109 -3.021 8.307 3.451 1.00 0.00 N ATOM 1291 CA VAL A 109 -2.798 6.897 3.728 1.00 0.00 C ATOM 1292 C VAL A 109 -1.344 6.542 3.457 1.00 0.00 C ATOM 1293 O VAL A 109 -0.830 6.794 2.365 1.00 0.00 O ATOM 1294 CB VAL A 109 -3.722 5.987 2.885 1.00 0.00 C ATOM 1295 CG1 VAL A 109 -5.083 5.839 3.544 1.00 0.00 C ATOM 1296 CG2 VAL A 109 -3.874 6.534 1.473 1.00 0.00 C ATOM 0 H VAL A 109 -2.704 8.606 2.529 1.00 0.00 H new ATOM 0 HA VAL A 109 -3.034 6.727 4.778 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.260 5.001 2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -5.715 5.195 2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -4.962 5.396 4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.549 6.820 3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.528 5.879 0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.307 7.533 1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -2.896 6.582 0.994 1.00 0.00 H new ATOM 1306 N ASP A 110 -0.674 5.986 4.451 1.00 0.00 N ATOM 1307 CA ASP A 110 0.741 5.684 4.318 1.00 0.00 C ATOM 1308 C ASP A 110 0.953 4.215 4.003 1.00 0.00 C ATOM 1309 O ASP A 110 0.674 3.351 4.835 1.00 0.00 O ATOM 1310 CB ASP A 110 1.488 6.035 5.602 1.00 0.00 C ATOM 1311 CG ASP A 110 2.796 6.742 5.328 1.00 0.00 C ATOM 1312 OD1 ASP A 110 3.623 6.208 4.565 1.00 0.00 O ATOM 1313 OD2 ASP A 110 2.994 7.847 5.879 1.00 0.00 O ATOM 0 H ASP A 110 -1.082 5.736 5.352 1.00 0.00 H new ATOM 0 HA ASP A 110 1.132 6.285 3.497 1.00 0.00 H new ATOM 0 HB2 ASP A 110 0.858 6.670 6.225 1.00 0.00 H new ATOM 0 HB3 ASP A 110 1.681 5.124 6.168 1.00 0.00 H new ATOM 1318 N ILE A 111 1.434 3.937 2.802 1.00 0.00 N ATOM 1319 CA ILE A 111 1.801 2.583 2.422 1.00 0.00 C ATOM 1320 C ILE A 111 3.305 2.489 2.237 1.00 0.00 C ATOM 1321 O ILE A 111 3.900 3.262 1.477 1.00 0.00 O ATOM 1322 CB ILE A 111 1.107 2.116 1.119 1.00 0.00 C ATOM 1323 CG1 ILE A 111 1.129 3.225 0.066 1.00 0.00 C ATOM 1324 CG2 ILE A 111 -0.315 1.670 1.396 1.00 0.00 C ATOM 1325 CD1 ILE A 111 0.601 2.795 -1.284 1.00 0.00 C ATOM 0 H ILE A 111 1.580 4.634 2.072 1.00 0.00 H new ATOM 0 HA ILE A 111 1.468 1.930 3.229 1.00 0.00 H new ATOM 0 HB ILE A 111 1.661 1.263 0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 111 0.537 4.067 0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 111 2.152 3.582 -0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -0.783 1.346 0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -0.305 0.842 2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -0.881 2.501 1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 111 0.648 3.635 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 111 1.207 1.974 -1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -0.433 2.466 -1.182 1.00 0.00 H new ATOM 1337 N PHE A 112 3.915 1.552 2.937 1.00 0.00 N ATOM 1338 CA PHE A 112 5.348 1.359 2.850 1.00 0.00 C ATOM 1339 C PHE A 112 5.720 -0.089 3.129 1.00 0.00 C ATOM 1340 O PHE A 112 4.983 -0.820 3.798 1.00 0.00 O ATOM 1341 CB PHE A 112 6.084 2.302 3.813 1.00 0.00 C ATOM 1342 CG PHE A 112 5.624 2.217 5.242 1.00 0.00 C ATOM 1343 CD1 PHE A 112 4.601 3.032 5.703 1.00 0.00 C ATOM 1344 CD2 PHE A 112 6.220 1.332 6.122 1.00 0.00 C ATOM 1345 CE1 PHE A 112 4.181 2.961 7.017 1.00 0.00 C ATOM 1346 CE2 PHE A 112 5.803 1.256 7.435 1.00 0.00 C ATOM 1347 CZ PHE A 112 4.783 2.072 7.885 1.00 0.00 C ATOM 0 H PHE A 112 3.439 0.912 3.573 1.00 0.00 H new ATOM 0 HA PHE A 112 5.658 1.598 1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.151 2.080 3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.958 3.327 3.464 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.128 3.729 5.028 1.00 0.00 H new ATOM 0 HD2 PHE A 112 7.020 0.694 5.778 1.00 0.00 H new ATOM 0 HE1 PHE A 112 3.383 3.600 7.365 1.00 0.00 H new ATOM 0 HE2 PHE A 112 6.274 0.558 8.111 1.00 0.00 H new ATOM 0 HZ PHE A 112 4.457 2.015 8.913 1.00 0.00 H new ATOM 1357 N SER A 113 6.859 -0.488 2.596 1.00 0.00 N ATOM 1358 CA SER A 113 7.407 -1.808 2.829 1.00 0.00 C ATOM 1359 C SER A 113 8.335 -1.763 4.031 1.00 0.00 C ATOM 1360 O SER A 113 8.839 -0.698 4.387 1.00 0.00 O ATOM 1361 CB SER A 113 8.172 -2.261 1.592 1.00 0.00 C ATOM 1362 OG SER A 113 9.062 -1.249 1.163 1.00 0.00 O ATOM 0 H SER A 113 7.431 0.097 1.987 1.00 0.00 H new ATOM 0 HA SER A 113 6.601 -2.514 3.028 1.00 0.00 H new ATOM 0 HB2 SER A 113 8.728 -3.172 1.814 1.00 0.00 H new ATOM 0 HB3 SER A 113 7.472 -2.501 0.792 1.00 0.00 H new ATOM 0 HG SER A 113 9.954 -1.633 1.031 1.00 0.00 H new ATOM 1368 N LEU A 114 8.567 -2.911 4.643 1.00 0.00 N ATOM 1369 CA LEU A 114 9.335 -2.974 5.878 1.00 0.00 C ATOM 1370 C LEU A 114 10.761 -3.422 5.605 1.00 0.00 C ATOM 1371 O LEU A 114 11.631 -3.347 6.481 1.00 0.00 O ATOM 1372 CB LEU A 114 8.665 -3.907 6.895 1.00 0.00 C ATOM 1373 CG LEU A 114 7.347 -3.402 7.504 1.00 0.00 C ATOM 1374 CD1 LEU A 114 7.541 -2.050 8.170 1.00 0.00 C ATOM 1375 CD2 LEU A 114 6.254 -3.321 6.453 1.00 0.00 C ATOM 0 H LEU A 114 8.235 -3.814 4.306 1.00 0.00 H new ATOM 0 HA LEU A 114 9.365 -1.971 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 114 8.475 -4.865 6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 114 9.369 -4.094 7.706 1.00 0.00 H new ATOM 0 HG LEU A 114 7.037 -4.120 8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 114 6.595 -1.714 8.593 1.00 0.00 H new ATOM 0 HD12 LEU A 114 8.283 -2.139 8.964 1.00 0.00 H new ATOM 0 HD13 LEU A 114 7.885 -1.326 7.431 1.00 0.00 H new ATOM 0 HD21 LEU A 114 5.333 -2.961 6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 114 6.559 -2.634 5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.084 -4.310 6.028 1.00 0.00 H new ATOM 1387 N GLY A 115 10.982 -3.919 4.390 1.00 0.00 N ATOM 1388 CA GLY A 115 12.318 -4.246 3.946 1.00 0.00 C ATOM 1389 C GLY A 115 12.971 -5.340 4.767 1.00 0.00 C ATOM 1390 O GLY A 115 12.282 -6.159 5.377 1.00 0.00 O ATOM 0 H GLY A 115 10.250 -4.101 3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 115 12.281 -4.558 2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 115 12.937 -3.350 3.989 1.00 0.00 H new ATOM 1394 N PRO A 116 14.311 -5.363 4.799 1.00 0.00 N ATOM 1395 CA PRO A 116 15.083 -6.388 5.506 1.00 0.00 C ATOM 1396 C PRO A 116 14.959 -6.291 7.027 1.00 0.00 C ATOM 1397 O PRO A 116 14.984 -7.309 7.723 1.00 0.00 O ATOM 1398 CB PRO A 116 16.534 -6.123 5.075 1.00 0.00 C ATOM 1399 CG PRO A 116 16.445 -5.174 3.926 1.00 0.00 C ATOM 1400 CD PRO A 116 15.185 -4.391 4.134 1.00 0.00 C ATOM 0 HA PRO A 116 14.724 -7.387 5.259 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.114 -5.695 5.893 1.00 0.00 H new ATOM 0 HB3 PRO A 116 17.031 -7.048 4.782 1.00 0.00 H new ATOM 0 HG2 PRO A 116 17.313 -4.516 3.896 1.00 0.00 H new ATOM 0 HG3 PRO A 116 16.419 -5.711 2.978 1.00 0.00 H new ATOM 0 HD2 PRO A 116 15.353 -3.508 4.751 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.763 -4.045 3.191 1.00 0.00 H new ATOM 1408 N ASP A 117 14.824 -5.073 7.546 1.00 0.00 N ATOM 1409 CA ASP A 117 14.786 -4.878 8.994 1.00 0.00 C ATOM 1410 C ASP A 117 13.392 -5.102 9.564 1.00 0.00 C ATOM 1411 O ASP A 117 13.233 -5.244 10.775 1.00 0.00 O ATOM 1412 CB ASP A 117 15.290 -3.481 9.386 1.00 0.00 C ATOM 1413 CG ASP A 117 14.632 -2.340 8.622 1.00 0.00 C ATOM 1414 OD1 ASP A 117 15.381 -1.515 8.055 1.00 0.00 O ATOM 1415 OD2 ASP A 117 13.380 -2.254 8.594 1.00 0.00 O ATOM 0 H ASP A 117 14.740 -4.218 6.996 1.00 0.00 H new ATOM 0 HA ASP A 117 15.453 -5.625 9.423 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.122 -3.333 10.453 1.00 0.00 H new ATOM 0 HB3 ASP A 117 16.367 -3.438 9.224 1.00 0.00 H new ATOM 1420 N GLY A 118 12.391 -5.145 8.697 1.00 0.00 N ATOM 1421 CA GLY A 118 11.046 -5.483 9.129 1.00 0.00 C ATOM 1422 C GLY A 118 10.369 -4.387 9.942 1.00 0.00 C ATOM 1423 O GLY A 118 9.195 -4.512 10.297 1.00 0.00 O ATOM 0 H GLY A 118 12.484 -4.952 7.700 1.00 0.00 H new ATOM 0 HA2 GLY A 118 10.437 -5.701 8.252 1.00 0.00 H new ATOM 0 HA3 GLY A 118 11.084 -6.394 9.726 1.00 0.00 H new ATOM 1427 N VAL A 119 11.089 -3.308 10.230 1.00 0.00 N ATOM 1428 CA VAL A 119 10.572 -2.273 11.115 1.00 0.00 C ATOM 1429 C VAL A 119 10.201 -1.001 10.358 1.00 0.00 C ATOM 1430 O VAL A 119 10.912 -0.572 9.431 1.00 0.00 O ATOM 1431 CB VAL A 119 11.564 -1.937 12.254 1.00 0.00 C ATOM 1432 CG1 VAL A 119 11.717 -3.122 13.192 1.00 0.00 C ATOM 1433 CG2 VAL A 119 12.917 -1.517 11.706 1.00 0.00 C ATOM 0 H VAL A 119 12.025 -3.129 9.866 1.00 0.00 H new ATOM 0 HA VAL A 119 9.664 -2.683 11.558 1.00 0.00 H new ATOM 0 HB VAL A 119 11.155 -1.096 12.814 1.00 0.00 H new ATOM 0 HG11 VAL A 119 12.418 -2.868 13.987 1.00 0.00 H new ATOM 0 HG12 VAL A 119 10.749 -3.369 13.627 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.094 -3.980 12.636 1.00 0.00 H new ATOM 0 HG21 VAL A 119 13.589 -1.288 12.533 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.336 -2.328 11.111 1.00 0.00 H new ATOM 0 HG23 VAL A 119 12.797 -0.633 11.080 1.00 0.00 H new ATOM 1443 N PRO A 120 9.063 -0.393 10.755 1.00 0.00 N ATOM 1444 CA PRO A 120 8.530 0.818 10.124 1.00 0.00 C ATOM 1445 C PRO A 120 9.296 2.077 10.518 1.00 0.00 C ATOM 1446 O PRO A 120 9.920 2.128 11.581 1.00 0.00 O ATOM 1447 CB PRO A 120 7.098 0.877 10.657 1.00 0.00 C ATOM 1448 CG PRO A 120 7.176 0.236 11.996 1.00 0.00 C ATOM 1449 CD PRO A 120 8.201 -0.856 11.865 1.00 0.00 C ATOM 0 HA PRO A 120 8.604 0.778 9.037 1.00 0.00 H new ATOM 0 HB2 PRO A 120 6.743 1.905 10.729 1.00 0.00 H new ATOM 0 HB3 PRO A 120 6.408 0.346 10.002 1.00 0.00 H new ATOM 0 HG2 PRO A 120 7.468 0.958 12.759 1.00 0.00 H new ATOM 0 HG3 PRO A 120 6.209 -0.169 12.293 1.00 0.00 H new ATOM 0 HD2 PRO A 120 8.769 -0.985 12.786 1.00 0.00 H new ATOM 0 HD3 PRO A 120 7.737 -1.816 11.639 1.00 0.00 H new ATOM 1457 N GLU A 121 9.234 3.089 9.647 1.00 0.00 N ATOM 1458 CA GLU A 121 9.907 4.372 9.866 1.00 0.00 C ATOM 1459 C GLU A 121 11.418 4.179 9.971 1.00 0.00 C ATOM 1460 O GLU A 121 12.133 4.975 10.583 1.00 0.00 O ATOM 1461 CB GLU A 121 9.359 5.065 11.117 1.00 0.00 C ATOM 1462 CG GLU A 121 7.860 5.321 11.057 1.00 0.00 C ATOM 1463 CD GLU A 121 7.334 5.993 12.304 1.00 0.00 C ATOM 1464 OE1 GLU A 121 7.076 7.213 12.266 1.00 0.00 O ATOM 1465 OE2 GLU A 121 7.177 5.306 13.336 1.00 0.00 O ATOM 0 H GLU A 121 8.715 3.041 8.770 1.00 0.00 H new ATOM 0 HA GLU A 121 9.706 5.013 9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.581 4.451 11.990 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.877 6.014 11.254 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.636 5.944 10.191 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.339 4.375 10.912 1.00 0.00 H new ATOM 1472 N SER A 122 11.885 3.112 9.356 1.00 0.00 N ATOM 1473 CA SER A 122 13.282 2.751 9.349 1.00 0.00 C ATOM 1474 C SER A 122 13.988 3.309 8.116 1.00 0.00 C ATOM 1475 O SER A 122 13.344 3.883 7.233 1.00 0.00 O ATOM 1476 CB SER A 122 13.390 1.226 9.372 1.00 0.00 C ATOM 1477 OG SER A 122 12.134 0.626 9.061 1.00 0.00 O ATOM 0 H SER A 122 11.292 2.462 8.839 1.00 0.00 H new ATOM 0 HA SER A 122 13.767 3.177 10.227 1.00 0.00 H new ATOM 0 HB2 SER A 122 14.142 0.899 8.654 1.00 0.00 H new ATOM 0 HB3 SER A 122 13.723 0.895 10.356 1.00 0.00 H new ATOM 0 HG SER A 122 11.668 1.170 8.392 1.00 0.00 H new ATOM 1483 N ASN A 123 15.303 3.136 8.054 1.00 0.00 N ATOM 1484 CA ASN A 123 16.064 3.513 6.869 1.00 0.00 C ATOM 1485 C ASN A 123 15.607 2.670 5.694 1.00 0.00 C ATOM 1486 O ASN A 123 15.401 3.164 4.584 1.00 0.00 O ATOM 1487 CB ASN A 123 17.563 3.298 7.103 1.00 0.00 C ATOM 1488 CG ASN A 123 18.395 3.541 5.856 1.00 0.00 C ATOM 1489 OD1 ASN A 123 18.832 4.661 5.593 1.00 0.00 O ATOM 1490 ND2 ASN A 123 18.637 2.489 5.085 1.00 0.00 N ATOM 0 H ASN A 123 15.863 2.738 8.808 1.00 0.00 H new ATOM 0 HA ASN A 123 15.893 4.569 6.658 1.00 0.00 H new ATOM 0 HB2 ASN A 123 17.902 3.965 7.896 1.00 0.00 H new ATOM 0 HB3 ASN A 123 17.729 2.279 7.452 1.00 0.00 H new ATOM 0 HD21 ASN A 123 19.202 2.594 4.242 1.00 0.00 H new ATOM 0 HD22 ASN A 123 18.258 1.576 5.335 1.00 0.00 H new ATOM 1497 N ASP A 124 15.405 1.395 5.970 1.00 0.00 N ATOM 1498 CA ASP A 124 14.997 0.449 4.962 1.00 0.00 C ATOM 1499 C ASP A 124 13.503 0.230 5.059 1.00 0.00 C ATOM 1500 O ASP A 124 13.007 -0.740 5.657 1.00 0.00 O ATOM 1501 CB ASP A 124 15.766 -0.862 5.103 1.00 0.00 C ATOM 1502 CG ASP A 124 17.246 -0.688 4.820 1.00 0.00 C ATOM 1503 OD1 ASP A 124 17.687 -1.035 3.708 1.00 0.00 O ATOM 1504 OD2 ASP A 124 17.973 -0.188 5.704 1.00 0.00 O ATOM 0 H ASP A 124 15.520 0.992 6.900 1.00 0.00 H new ATOM 0 HA ASP A 124 15.228 0.850 3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 124 15.634 -1.253 6.112 1.00 0.00 H new ATOM 0 HB3 ASP A 124 15.351 -1.601 4.418 1.00 0.00 H new ATOM 1509 N ASP A 125 12.800 1.226 4.578 1.00 0.00 N ATOM 1510 CA ASP A 125 11.364 1.155 4.355 1.00 0.00 C ATOM 1511 C ASP A 125 11.014 1.927 3.095 1.00 0.00 C ATOM 1512 O ASP A 125 11.174 3.147 3.043 1.00 0.00 O ATOM 1513 CB ASP A 125 10.581 1.714 5.551 1.00 0.00 C ATOM 1514 CG ASP A 125 10.618 0.792 6.754 1.00 0.00 C ATOM 1515 OD1 ASP A 125 10.357 -0.405 6.595 1.00 0.00 O ATOM 1516 OD2 ASP A 125 10.908 1.269 7.869 1.00 0.00 O ATOM 0 H ASP A 125 13.209 2.125 4.324 1.00 0.00 H new ATOM 0 HA ASP A 125 11.084 0.108 4.238 1.00 0.00 H new ATOM 0 HB2 ASP A 125 10.993 2.684 5.829 1.00 0.00 H new ATOM 0 HB3 ASP A 125 9.545 1.880 5.257 1.00 0.00 H new ATOM 1521 N ILE A 126 10.574 1.216 2.068 1.00 0.00 N ATOM 1522 CA ILE A 126 10.226 1.845 0.803 1.00 0.00 C ATOM 1523 C ILE A 126 8.776 2.302 0.831 1.00 0.00 C ATOM 1524 O ILE A 126 7.852 1.490 0.749 1.00 0.00 O ATOM 1525 CB ILE A 126 10.444 0.885 -0.391 1.00 0.00 C ATOM 1526 CG1 ILE A 126 11.925 0.510 -0.522 1.00 0.00 C ATOM 1527 CG2 ILE A 126 9.929 1.499 -1.687 1.00 0.00 C ATOM 1528 CD1 ILE A 126 12.836 1.688 -0.803 1.00 0.00 C ATOM 0 H ILE A 126 10.449 0.204 2.086 1.00 0.00 H new ATOM 0 HA ILE A 126 10.882 2.705 0.670 1.00 0.00 H new ATOM 0 HB ILE A 126 9.875 -0.025 -0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 126 12.249 0.024 0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 126 12.035 -0.221 -1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 126 10.095 0.804 -2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 126 8.862 1.704 -1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 126 10.461 2.429 -1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 126 13.866 1.341 -0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 126 12.540 2.162 -1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 126 12.758 2.410 0.010 1.00 0.00 H new ATOM 1540 N GLY A 127 8.587 3.602 0.973 1.00 0.00 N ATOM 1541 CA GLY A 127 7.255 4.157 1.006 1.00 0.00 C ATOM 1542 C GLY A 127 6.820 4.645 -0.356 1.00 0.00 C ATOM 1543 O GLY A 127 7.655 4.941 -1.212 1.00 0.00 O ATOM 0 H GLY A 127 9.338 4.286 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 127 6.555 3.402 1.363 1.00 0.00 H new ATOM 0 HA3 GLY A 127 7.222 4.983 1.716 1.00 0.00 H new ATOM 1547 N ASN A 128 5.516 4.732 -0.560 1.00 0.00 N ATOM 1548 CA ASN A 128 4.967 5.185 -1.836 1.00 0.00 C ATOM 1549 C ASN A 128 5.322 6.649 -2.081 1.00 0.00 C ATOM 1550 O ASN A 128 5.460 7.091 -3.221 1.00 0.00 O ATOM 1551 CB ASN A 128 3.453 4.982 -1.847 1.00 0.00 C ATOM 1552 CG ASN A 128 2.824 5.246 -3.200 1.00 0.00 C ATOM 1553 OD1 ASN A 128 3.456 5.078 -4.240 1.00 0.00 O ATOM 1554 ND2 ASN A 128 1.560 5.635 -3.191 1.00 0.00 N ATOM 0 H ASN A 128 4.813 4.495 0.140 1.00 0.00 H new ATOM 0 HA ASN A 128 5.404 4.595 -2.642 1.00 0.00 H new ATOM 0 HB2 ASN A 128 3.228 3.960 -1.542 1.00 0.00 H new ATOM 0 HB3 ASN A 128 2.999 5.642 -1.108 1.00 0.00 H new ATOM 0 HD21 ASN A 128 1.073 5.807 -4.071 1.00 0.00 H new ATOM 0 HD22 ASN A 128 1.072 5.763 -2.304 1.00 0.00 H new ATOM 1561 N TRP A 129 5.489 7.395 -1.002 1.00 0.00 N ATOM 1562 CA TRP A 129 5.922 8.781 -1.095 1.00 0.00 C ATOM 1563 C TRP A 129 7.432 8.842 -1.339 1.00 0.00 C ATOM 1564 O TRP A 129 7.949 9.812 -1.890 1.00 0.00 O ATOM 1565 CB TRP A 129 5.552 9.531 0.189 1.00 0.00 C ATOM 1566 CG TRP A 129 5.873 10.996 0.151 1.00 0.00 C ATOM 1567 CD1 TRP A 129 5.161 11.976 -0.480 1.00 0.00 C ATOM 1568 CD2 TRP A 129 6.986 11.647 0.774 1.00 0.00 C ATOM 1569 NE1 TRP A 129 5.765 13.193 -0.290 1.00 0.00 N ATOM 1570 CE2 TRP A 129 6.886 13.019 0.478 1.00 0.00 C ATOM 1571 CE3 TRP A 129 8.058 11.203 1.553 1.00 0.00 C ATOM 1572 CZ2 TRP A 129 7.815 13.950 0.934 1.00 0.00 C ATOM 1573 CZ3 TRP A 129 8.980 12.128 2.005 1.00 0.00 C ATOM 1574 CH2 TRP A 129 8.853 13.487 1.695 1.00 0.00 C ATOM 0 H TRP A 129 5.331 7.065 -0.050 1.00 0.00 H new ATOM 0 HA TRP A 129 5.416 9.259 -1.934 1.00 0.00 H new ATOM 0 HB2 TRP A 129 4.485 9.407 0.376 1.00 0.00 H new ATOM 0 HB3 TRP A 129 6.077 9.076 1.028 1.00 0.00 H new ATOM 0 HD1 TRP A 129 4.255 11.816 -1.046 1.00 0.00 H new ATOM 0 HE1 TRP A 129 5.433 14.083 -0.661 1.00 0.00 H new ATOM 0 HE3 TRP A 129 8.164 10.156 1.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 7.720 14.999 0.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 9.813 11.797 2.608 1.00 0.00 H new ATOM 0 HH2 TRP A 129 9.590 14.185 2.064 1.00 0.00 H new ATOM 1585 N THR A 130 8.123 7.779 -0.947 1.00 0.00 N ATOM 1586 CA THR A 130 9.574 7.710 -1.049 1.00 0.00 C ATOM 1587 C THR A 130 10.017 7.336 -2.466 1.00 0.00 C ATOM 1588 O THR A 130 11.098 7.722 -2.915 1.00 0.00 O ATOM 1589 CB THR A 130 10.126 6.669 -0.059 1.00 0.00 C ATOM 1590 OG1 THR A 130 9.429 6.776 1.190 1.00 0.00 O ATOM 1591 CG2 THR A 130 11.618 6.865 0.172 1.00 0.00 C ATOM 0 H THR A 130 7.694 6.943 -0.550 1.00 0.00 H new ATOM 0 HA THR A 130 9.968 8.698 -0.809 1.00 0.00 H new ATOM 0 HB THR A 130 9.973 5.678 -0.486 1.00 0.00 H new ATOM 0 HG1 THR A 130 9.780 6.111 1.819 1.00 0.00 H new ATOM 0 HG21 THR A 130 11.979 6.115 0.876 1.00 0.00 H new ATOM 0 HG22 THR A 130 12.149 6.761 -0.774 1.00 0.00 H new ATOM 0 HG23 THR A 130 11.795 7.860 0.580 1.00 0.00 H new ATOM 1599 N ILE A 131 9.181 6.579 -3.167 1.00 0.00 N ATOM 1600 CA ILE A 131 9.511 6.138 -4.518 1.00 0.00 C ATOM 1601 C ILE A 131 9.283 7.263 -5.532 1.00 0.00 C ATOM 1602 O ILE A 131 9.869 7.264 -6.615 1.00 0.00 O ATOM 1603 CB ILE A 131 8.707 4.872 -4.919 1.00 0.00 C ATOM 1604 CG1 ILE A 131 9.124 4.367 -6.305 1.00 0.00 C ATOM 1605 CG2 ILE A 131 7.214 5.145 -4.885 1.00 0.00 C ATOM 1606 CD1 ILE A 131 10.570 3.928 -6.384 1.00 0.00 C ATOM 0 H ILE A 131 8.275 6.259 -2.825 1.00 0.00 H new ATOM 0 HA ILE A 131 10.569 5.876 -4.525 1.00 0.00 H new ATOM 0 HB ILE A 131 8.933 4.094 -4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 131 8.484 3.530 -6.585 1.00 0.00 H new ATOM 0 HG13 ILE A 131 8.953 5.157 -7.036 1.00 0.00 H new ATOM 0 HG21 ILE A 131 6.673 4.243 -5.170 1.00 0.00 H new ATOM 0 HG22 ILE A 131 6.921 5.441 -3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 131 6.975 5.947 -5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 131 10.791 3.584 -7.394 1.00 0.00 H new ATOM 0 HD12 ILE A 131 11.219 4.768 -6.137 1.00 0.00 H new ATOM 0 HD13 ILE A 131 10.743 3.116 -5.678 1.00 0.00 H new ATOM 1618 N GLY A 132 8.452 8.233 -5.171 1.00 0.00 N ATOM 1619 CA GLY A 132 8.247 9.376 -6.040 1.00 0.00 C ATOM 1620 C GLY A 132 6.787 9.690 -6.286 1.00 0.00 C ATOM 1621 O GLY A 132 6.464 10.698 -6.916 1.00 0.00 O ATOM 0 H GLY A 132 7.921 8.250 -4.300 1.00 0.00 H new ATOM 0 HA2 GLY A 132 8.730 10.249 -5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 132 8.737 9.189 -6.996 1.00 0.00 H new