USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 805 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 Single : A 22 SER OG : rot 180:sc= 0.0192 USER MOD Single : A 24 LYS NZ :NH3+ -158:sc= 1.13 (180deg=0.79) USER MOD Single : A 25 TYR OH : rot 130:sc= 0.801 USER MOD Single : A 28 GLN : amide:sc= -0.0835 X(o=-0.083,f=-0.21) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 81:sc= 1.61 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0589 USER MOD Single : A 39 TYR OH : rot 30:sc= -0.697 USER MOD Single : A 43 TYR OH : rot -153:sc= 1.27 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0726 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 53:sc= 0.108 USER MOD Single : A 57 SER OG : rot -64:sc= 0.505 USER MOD Single : A 64 ASN : amide:sc= 0.33 K(o=0.33,f=-5!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0692 USER MOD Single : A 67 LYS NZ :NH3+ 173:sc= -0.0116 (180deg=-0.0884) USER MOD Single : A 72 TYR OH : rot 73:sc= 0.00726 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.704 K(o=-0.7,f=-3!) USER MOD Single : A 80 ASN : amide:sc= -1.36 K(o=-1.4,f=0) USER MOD Single : A 81 TYR OH : rot 30:sc= -0.0611 USER MOD Single : A 82 THR OG1 : rot -56:sc= 0.901 USER MOD Single : A 86 THR OG1 : rot 108:sc= 1.28 USER MOD Single : A 90 HIS : no HD1:sc= -2.04 X(o=-2,f=-1.9) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 159:sc= 1.22 (180deg=0.883) USER MOD Single : A 100 SER OG : rot 61:sc= 0.664 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 160:sc= -0.0471 USER MOD Single : A 107 SER OG : rot -88:sc= 1.73 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.0658 X(o=-0.066,f=-0.054) USER MOD Single : A 114 THR OG1 : rot 146:sc= -0.745! USER MOD Single : A 115 LYS NZ :NH3+ -119:sc= -0.0549 (180deg=-0.373) USER MOD Single : A 118 LYS NZ :NH3+ -166:sc= 0.848 (180deg=0.508) USER MOD Single : A 123 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 124 GLN : amide:sc= -0.0354 X(o=-0.035,f=0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -2.519 18.560 6.174 1.00 0.00 N ATOM 2 CA GLY A 19 -1.214 19.149 5.887 1.00 0.00 C ATOM 3 C GLY A 19 -0.208 18.084 5.540 1.00 0.00 C ATOM 4 O GLY A 19 -0.543 17.091 4.870 1.00 0.00 O ATOM 0 HA2 GLY A 19 -1.303 19.854 5.061 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.867 19.714 6.752 1.00 0.00 H new ATOM 10 N ALA A 20 1.010 18.243 6.022 1.00 0.00 N ATOM 11 CA ALA A 20 2.092 17.291 5.796 1.00 0.00 C ATOM 12 C ALA A 20 1.995 16.158 6.824 1.00 0.00 C ATOM 13 O ALA A 20 2.981 15.767 7.465 1.00 0.00 O ATOM 14 CB ALA A 20 3.433 18.011 5.901 1.00 0.00 C ATOM 0 H ALA A 20 1.284 19.045 6.589 1.00 0.00 H new ATOM 0 HA ALA A 20 2.009 16.861 4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.242 17.300 5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.482 18.801 5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.535 18.447 6.895 1.00 0.00 H new ATOM 20 N ASP A 21 0.799 15.620 6.941 1.00 0.00 N ATOM 21 CA ASP A 21 0.474 14.575 7.900 1.00 0.00 C ATOM 22 C ASP A 21 0.900 13.225 7.382 1.00 0.00 C ATOM 23 O ASP A 21 0.958 12.248 8.146 1.00 0.00 O ATOM 24 CB ASP A 21 -1.027 14.540 8.174 1.00 0.00 C ATOM 25 CG ASP A 21 -1.586 15.801 8.755 1.00 0.00 C ATOM 26 OD1 ASP A 21 -2.084 16.648 7.977 1.00 0.00 O ATOM 27 OD2 ASP A 21 -1.584 15.953 9.990 1.00 0.00 O ATOM 0 H ASP A 21 0.007 15.900 6.362 1.00 0.00 H new ATOM 0 HA ASP A 21 1.009 14.800 8.823 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.548 14.324 7.241 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.239 13.717 8.856 1.00 0.00 H new ATOM 32 N SER A 22 1.160 13.164 6.082 1.00 0.00 N ATOM 33 CA SER A 22 1.626 11.968 5.427 1.00 0.00 C ATOM 34 C SER A 22 2.905 11.482 6.132 1.00 0.00 C ATOM 35 O SER A 22 3.872 12.238 6.267 1.00 0.00 O ATOM 36 CB SER A 22 1.903 12.313 3.961 1.00 0.00 C ATOM 37 OG SER A 22 0.781 13.004 3.397 1.00 0.00 O ATOM 0 H SER A 22 1.049 13.959 5.453 1.00 0.00 H new ATOM 0 HA SER A 22 0.884 11.171 5.475 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.796 12.933 3.888 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.100 11.402 3.396 1.00 0.00 H new ATOM 0 HG SER A 22 0.968 13.222 2.460 1.00 0.00 H new ATOM 43 N CYS A 23 2.904 10.247 6.568 1.00 0.00 N ATOM 44 CA CYS A 23 3.994 9.730 7.359 1.00 0.00 C ATOM 45 C CYS A 23 4.925 8.850 6.544 1.00 0.00 C ATOM 46 O CYS A 23 4.541 8.309 5.490 1.00 0.00 O ATOM 47 CB CYS A 23 3.432 8.961 8.555 1.00 0.00 C ATOM 48 SG CYS A 23 2.214 7.688 8.102 1.00 0.00 S ATOM 0 H CYS A 23 2.156 9.577 6.387 1.00 0.00 H new ATOM 0 HA CYS A 23 4.588 10.573 7.712 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.255 8.489 9.091 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.967 9.667 9.243 1.00 0.00 H new ATOM 53 N LYS A 24 6.144 8.731 7.029 1.00 0.00 N ATOM 54 CA LYS A 24 7.189 7.957 6.395 1.00 0.00 C ATOM 55 C LYS A 24 6.911 6.467 6.486 1.00 0.00 C ATOM 56 O LYS A 24 6.707 5.940 7.579 1.00 0.00 O ATOM 57 CB LYS A 24 8.534 8.257 7.071 1.00 0.00 C ATOM 58 CG LYS A 24 9.058 9.672 6.859 1.00 0.00 C ATOM 59 CD LYS A 24 9.575 9.887 5.437 1.00 0.00 C ATOM 60 CE LYS A 24 10.824 9.050 5.146 1.00 0.00 C ATOM 61 NZ LYS A 24 11.938 9.362 6.082 1.00 0.00 N ATOM 0 H LYS A 24 6.441 9.181 7.895 1.00 0.00 H new ATOM 0 HA LYS A 24 7.222 8.238 5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.433 8.079 8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.276 7.551 6.699 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.263 10.388 7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.860 9.871 7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.792 9.629 4.724 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.804 10.943 5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.575 7.991 5.219 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.150 9.231 4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.842 9.081 5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.951 10.383 6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.801 8.840 6.971 1.00 0.00 H new ATOM 75 N TYR A 25 6.926 5.804 5.330 1.00 0.00 N ATOM 76 CA TYR A 25 6.778 4.342 5.226 1.00 0.00 C ATOM 77 C TYR A 25 5.418 3.839 5.689 1.00 0.00 C ATOM 78 O TYR A 25 5.316 2.787 6.327 1.00 0.00 O ATOM 79 CB TYR A 25 7.910 3.616 5.975 1.00 0.00 C ATOM 80 CG TYR A 25 9.268 3.836 5.376 1.00 0.00 C ATOM 81 CD1 TYR A 25 10.112 4.822 5.846 1.00 0.00 C ATOM 82 CD2 TYR A 25 9.698 3.054 4.333 1.00 0.00 C ATOM 83 CE1 TYR A 25 11.352 5.010 5.288 1.00 0.00 C ATOM 84 CE2 TYR A 25 10.928 3.233 3.762 1.00 0.00 C ATOM 85 CZ TYR A 25 11.759 4.215 4.246 1.00 0.00 C ATOM 86 OH TYR A 25 13.009 4.397 3.696 1.00 0.00 O ATOM 0 H TYR A 25 7.042 6.266 4.428 1.00 0.00 H new ATOM 0 HA TYR A 25 6.849 4.107 4.164 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.921 3.952 7.012 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.697 2.547 5.989 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.793 5.453 6.662 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.049 2.278 3.954 1.00 0.00 H new ATOM 0 HE1 TYR A 25 12.005 5.781 5.668 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.243 2.609 2.939 1.00 0.00 H new ATOM 0 HH TYR A 25 13.472 3.535 3.643 1.00 0.00 H new ATOM 96 N CYS A 26 4.383 4.520 5.292 1.00 0.00 N ATOM 97 CA CYS A 26 3.055 4.115 5.669 1.00 0.00 C ATOM 98 C CYS A 26 2.238 3.906 4.420 1.00 0.00 C ATOM 99 O CYS A 26 2.454 4.586 3.419 1.00 0.00 O ATOM 100 CB CYS A 26 2.353 5.213 6.460 1.00 0.00 C ATOM 101 SG CYS A 26 3.306 6.007 7.773 1.00 0.00 S ATOM 0 H CYS A 26 4.429 5.356 4.709 1.00 0.00 H new ATOM 0 HA CYS A 26 3.138 3.209 6.269 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.032 5.984 5.760 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.452 4.789 6.903 1.00 0.00 H new ATOM 106 N LEU A 27 1.342 2.974 4.467 1.00 0.00 N ATOM 107 CA LEU A 27 0.401 2.773 3.401 1.00 0.00 C ATOM 108 C LEU A 27 -0.816 3.574 3.750 1.00 0.00 C ATOM 109 O LEU A 27 -1.383 3.392 4.829 1.00 0.00 O ATOM 110 CB LEU A 27 0.047 1.295 3.271 1.00 0.00 C ATOM 111 CG LEU A 27 -0.968 0.906 2.206 1.00 0.00 C ATOM 112 CD1 LEU A 27 -0.536 1.348 0.825 1.00 0.00 C ATOM 113 CD2 LEU A 27 -1.179 -0.566 2.229 1.00 0.00 C ATOM 0 H LEU A 27 1.238 2.325 5.247 1.00 0.00 H new ATOM 0 HA LEU A 27 0.819 3.089 2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.967 0.745 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.330 0.953 4.235 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.904 1.416 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.289 1.050 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.424 2.432 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.416 0.881 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.906 -0.841 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.234 -1.072 2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.551 -0.865 3.209 1.00 0.00 H new ATOM 125 N GLN A 28 -1.191 4.489 2.903 1.00 0.00 N ATOM 126 CA GLN A 28 -2.316 5.313 3.207 1.00 0.00 C ATOM 127 C GLN A 28 -3.423 5.031 2.238 1.00 0.00 C ATOM 128 O GLN A 28 -3.251 5.117 1.010 1.00 0.00 O ATOM 129 CB GLN A 28 -1.890 6.768 3.138 1.00 0.00 C ATOM 130 CG GLN A 28 -0.822 7.112 4.166 1.00 0.00 C ATOM 131 CD GLN A 28 -0.136 8.431 3.900 1.00 0.00 C ATOM 132 OE1 GLN A 28 -0.714 9.358 3.344 1.00 0.00 O ATOM 133 NE2 GLN A 28 1.117 8.520 4.284 1.00 0.00 N ATOM 0 H GLN A 28 -0.739 4.679 2.009 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.682 5.099 4.211 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.512 6.985 2.139 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.760 7.406 3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.277 7.141 5.156 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.075 6.319 4.182 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.567 7.729 4.744 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.640 9.381 4.122 1.00 0.00 H new ATOM 142 N LEU A 29 -4.544 4.680 2.772 1.00 0.00 N ATOM 143 CA LEU A 29 -5.685 4.393 1.972 1.00 0.00 C ATOM 144 C LEU A 29 -6.729 5.460 2.149 1.00 0.00 C ATOM 145 O LEU A 29 -7.219 5.668 3.268 1.00 0.00 O ATOM 146 CB LEU A 29 -6.232 3.001 2.269 1.00 0.00 C ATOM 147 CG LEU A 29 -5.215 1.857 2.149 1.00 0.00 C ATOM 148 CD1 LEU A 29 -4.724 1.381 3.505 1.00 0.00 C ATOM 149 CD2 LEU A 29 -5.779 0.721 1.363 1.00 0.00 C ATOM 0 H LEU A 29 -4.695 4.584 3.776 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.384 4.395 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.641 2.997 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.060 2.801 1.589 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.352 2.254 1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.007 0.572 3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.243 2.207 4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.569 1.022 4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.039 -0.076 1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.673 0.343 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.038 1.065 0.362 1.00 0.00 H new ATOM 161 N TYR A 30 -7.064 6.130 1.079 1.00 0.00 N ATOM 162 CA TYR A 30 -8.048 7.187 1.110 1.00 0.00 C ATOM 163 C TYR A 30 -9.430 6.610 1.046 1.00 0.00 C ATOM 164 O TYR A 30 -9.663 5.597 0.378 1.00 0.00 O ATOM 165 CB TYR A 30 -7.872 8.173 -0.037 1.00 0.00 C ATOM 166 CG TYR A 30 -6.680 9.088 0.071 1.00 0.00 C ATOM 167 CD1 TYR A 30 -6.702 10.159 0.945 1.00 0.00 C ATOM 168 CD2 TYR A 30 -5.550 8.910 -0.722 1.00 0.00 C ATOM 169 CE1 TYR A 30 -5.643 11.029 1.035 1.00 0.00 C ATOM 170 CE2 TYR A 30 -4.475 9.780 -0.631 1.00 0.00 C ATOM 171 CZ TYR A 30 -4.534 10.841 0.251 1.00 0.00 C ATOM 172 OH TYR A 30 -3.481 11.731 0.343 1.00 0.00 O ATOM 0 H TYR A 30 -6.663 5.960 0.157 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.905 7.725 2.047 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.793 7.611 -0.967 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.772 8.784 -0.109 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.569 10.315 1.569 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.510 8.084 -1.417 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.684 11.861 1.723 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.599 9.630 -1.244 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.770 11.461 -0.275 1.00 0.00 H new ATOM 182 N ASP A 31 -10.335 7.245 1.731 1.00 0.00 N ATOM 183 CA ASP A 31 -11.711 6.799 1.795 1.00 0.00 C ATOM 184 C ASP A 31 -12.419 6.975 0.461 1.00 0.00 C ATOM 185 O ASP A 31 -13.160 6.098 0.022 1.00 0.00 O ATOM 186 CB ASP A 31 -12.464 7.531 2.907 1.00 0.00 C ATOM 187 CG ASP A 31 -13.896 7.077 3.024 1.00 0.00 C ATOM 188 OD1 ASP A 31 -14.808 7.849 2.657 1.00 0.00 O ATOM 189 OD2 ASP A 31 -14.125 5.931 3.459 1.00 0.00 O ATOM 0 H ASP A 31 -10.146 8.092 2.267 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.702 5.734 2.025 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.955 7.367 3.857 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.440 8.603 2.714 1.00 0.00 H new ATOM 194 N GLU A 32 -12.151 8.067 -0.199 1.00 0.00 N ATOM 195 CA GLU A 32 -12.775 8.364 -1.465 1.00 0.00 C ATOM 196 C GLU A 32 -11.762 8.218 -2.574 1.00 0.00 C ATOM 197 O GLU A 32 -10.593 7.909 -2.317 1.00 0.00 O ATOM 198 CB GLU A 32 -13.360 9.777 -1.451 1.00 0.00 C ATOM 199 CG GLU A 32 -14.527 9.944 -0.500 1.00 0.00 C ATOM 200 CD GLU A 32 -14.966 11.373 -0.365 1.00 0.00 C ATOM 201 OE1 GLU A 32 -15.447 11.967 -1.355 1.00 0.00 O ATOM 202 OE2 GLU A 32 -14.856 11.931 0.753 1.00 0.00 O ATOM 0 H GLU A 32 -11.494 8.778 0.123 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.591 7.662 -1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.576 10.483 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.684 10.036 -2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.365 9.343 -0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.248 9.560 0.481 1.00 0.00 H new ATOM 209 N THR A 33 -12.194 8.404 -3.781 1.00 0.00 N ATOM 210 CA THR A 33 -11.348 8.307 -4.922 1.00 0.00 C ATOM 211 C THR A 33 -10.592 9.621 -5.146 1.00 0.00 C ATOM 212 O THR A 33 -10.787 10.592 -4.392 1.00 0.00 O ATOM 213 CB THR A 33 -12.220 7.980 -6.127 1.00 0.00 C ATOM 214 OG1 THR A 33 -13.489 8.640 -5.964 1.00 0.00 O ATOM 215 CG2 THR A 33 -12.446 6.493 -6.263 1.00 0.00 C ATOM 0 H THR A 33 -13.163 8.632 -4.002 1.00 0.00 H new ATOM 0 HA THR A 33 -10.605 7.523 -4.772 1.00 0.00 H new ATOM 0 HB THR A 33 -11.713 8.325 -7.028 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.406 9.580 -6.230 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.072 6.298 -7.134 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.487 5.989 -6.386 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.942 6.117 -5.368 1.00 0.00 H new ATOM 223 N TYR A 34 -9.714 9.633 -6.164 1.00 0.00 N ATOM 224 CA TYR A 34 -8.936 10.814 -6.596 1.00 0.00 C ATOM 225 C TYR A 34 -8.261 11.565 -5.447 1.00 0.00 C ATOM 226 O TYR A 34 -8.270 12.804 -5.395 1.00 0.00 O ATOM 227 CB TYR A 34 -9.719 11.742 -7.598 1.00 0.00 C ATOM 228 CG TYR A 34 -11.138 12.110 -7.201 1.00 0.00 C ATOM 229 CD1 TYR A 34 -12.183 11.248 -7.478 1.00 0.00 C ATOM 230 CD2 TYR A 34 -11.426 13.288 -6.535 1.00 0.00 C ATOM 231 CE1 TYR A 34 -13.466 11.534 -7.099 1.00 0.00 C ATOM 232 CE2 TYR A 34 -12.721 13.590 -6.158 1.00 0.00 C ATOM 233 CZ TYR A 34 -13.735 12.704 -6.440 1.00 0.00 C ATOM 234 OH TYR A 34 -15.029 12.988 -6.043 1.00 0.00 O ATOM 0 H TYR A 34 -9.519 8.803 -6.724 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.105 10.412 -7.176 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.150 12.663 -7.729 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.752 11.247 -8.569 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.982 10.328 -8.006 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.629 13.980 -6.307 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.264 10.840 -7.319 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.936 14.516 -5.645 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.049 13.856 -5.588 1.00 0.00 H new ATOM 244 N GLU A 35 -7.688 10.780 -4.516 1.00 0.00 N ATOM 245 CA GLU A 35 -6.922 11.286 -3.370 1.00 0.00 C ATOM 246 C GLU A 35 -7.787 12.124 -2.417 1.00 0.00 C ATOM 247 O GLU A 35 -7.292 13.018 -1.713 1.00 0.00 O ATOM 248 CB GLU A 35 -5.689 12.075 -3.847 1.00 0.00 C ATOM 249 CG GLU A 35 -4.678 11.232 -4.620 1.00 0.00 C ATOM 250 CD GLU A 35 -3.511 12.041 -5.116 1.00 0.00 C ATOM 251 OE1 GLU A 35 -2.599 12.336 -4.324 1.00 0.00 O ATOM 252 OE2 GLU A 35 -3.483 12.403 -6.314 1.00 0.00 O ATOM 0 H GLU A 35 -7.747 9.762 -4.542 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.578 10.422 -2.801 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.019 12.899 -4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.194 12.515 -2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.313 10.430 -3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.176 10.761 -5.468 1.00 0.00 H new ATOM 259 N ARG A 36 -9.069 11.833 -2.381 1.00 0.00 N ATOM 260 CA ARG A 36 -9.979 12.521 -1.496 1.00 0.00 C ATOM 261 C ARG A 36 -10.423 11.621 -0.374 1.00 0.00 C ATOM 262 O ARG A 36 -10.233 10.400 -0.416 1.00 0.00 O ATOM 263 CB ARG A 36 -11.181 13.103 -2.251 1.00 0.00 C ATOM 264 CG ARG A 36 -10.832 14.195 -3.271 1.00 0.00 C ATOM 265 CD ARG A 36 -10.305 15.489 -2.635 1.00 0.00 C ATOM 266 NE ARG A 36 -9.029 15.308 -1.924 1.00 0.00 N ATOM 267 CZ ARG A 36 -8.497 16.164 -1.050 1.00 0.00 C ATOM 268 NH1 ARG A 36 -9.036 17.365 -0.860 1.00 0.00 N ATOM 269 NH2 ARG A 36 -7.396 15.822 -0.391 1.00 0.00 N ATOM 0 H ARG A 36 -9.507 11.117 -2.961 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.437 13.361 -1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.694 12.293 -2.769 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.884 13.514 -1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.082 13.809 -3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.719 14.426 -3.861 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.177 16.242 -3.412 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.050 15.874 -1.939 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.506 14.454 -2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.866 17.641 -1.385 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.620 18.010 -0.189 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.965 14.912 -0.555 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.981 16.469 0.279 1.00 0.00 H new ATOM 283 N GLY A 37 -11.011 12.212 0.614 1.00 0.00 N ATOM 284 CA GLY A 37 -11.425 11.482 1.766 1.00 0.00 C ATOM 285 C GLY A 37 -10.314 11.421 2.770 1.00 0.00 C ATOM 286 O GLY A 37 -9.193 11.886 2.503 1.00 0.00 O ATOM 0 H GLY A 37 -11.217 13.210 0.645 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.300 11.956 2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.721 10.473 1.479 1.00 0.00 H new ATOM 290 N SER A 38 -10.592 10.897 3.912 1.00 0.00 N ATOM 291 CA SER A 38 -9.582 10.725 4.891 1.00 0.00 C ATOM 292 C SER A 38 -8.873 9.415 4.664 1.00 0.00 C ATOM 293 O SER A 38 -9.439 8.479 4.072 1.00 0.00 O ATOM 294 CB SER A 38 -10.189 10.807 6.263 1.00 0.00 C ATOM 295 OG SER A 38 -11.449 10.128 6.294 1.00 0.00 O ATOM 0 H SER A 38 -11.520 10.578 4.191 1.00 0.00 H new ATOM 0 HA SER A 38 -8.841 11.520 4.809 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.512 10.364 6.994 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.324 11.851 6.546 1.00 0.00 H new ATOM 0 HG SER A 38 -11.831 10.189 7.194 1.00 0.00 H new ATOM 301 N TYR A 39 -7.677 9.336 5.103 1.00 0.00 N ATOM 302 CA TYR A 39 -6.883 8.178 4.884 1.00 0.00 C ATOM 303 C TYR A 39 -6.523 7.540 6.195 1.00 0.00 C ATOM 304 O TYR A 39 -6.682 8.144 7.253 1.00 0.00 O ATOM 305 CB TYR A 39 -5.628 8.525 4.072 1.00 0.00 C ATOM 306 CG TYR A 39 -4.720 9.515 4.748 1.00 0.00 C ATOM 307 CD1 TYR A 39 -3.604 9.094 5.450 1.00 0.00 C ATOM 308 CD2 TYR A 39 -4.993 10.870 4.700 1.00 0.00 C ATOM 309 CE1 TYR A 39 -2.788 9.993 6.084 1.00 0.00 C ATOM 310 CE2 TYR A 39 -4.189 11.775 5.326 1.00 0.00 C ATOM 311 CZ TYR A 39 -3.086 11.335 6.020 1.00 0.00 C ATOM 312 OH TYR A 39 -2.283 12.237 6.644 1.00 0.00 O ATOM 0 H TYR A 39 -7.211 10.075 5.629 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.464 7.461 4.304 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.070 7.610 3.876 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.932 8.927 3.105 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.373 8.040 5.499 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -5.859 11.217 4.156 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.920 9.652 6.628 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -4.416 12.830 5.278 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.364 11.897 6.666 1.00 0.00 H new ATOM 322 N ILE A 40 -6.056 6.349 6.121 1.00 0.00 N ATOM 323 CA ILE A 40 -5.635 5.612 7.272 1.00 0.00 C ATOM 324 C ILE A 40 -4.135 5.412 7.143 1.00 0.00 C ATOM 325 O ILE A 40 -3.611 5.430 6.022 1.00 0.00 O ATOM 326 CB ILE A 40 -6.368 4.224 7.344 1.00 0.00 C ATOM 327 CG1 ILE A 40 -6.031 3.470 8.648 1.00 0.00 C ATOM 328 CG2 ILE A 40 -6.022 3.372 6.128 1.00 0.00 C ATOM 329 CD1 ILE A 40 -6.768 2.152 8.817 1.00 0.00 C ATOM 0 H ILE A 40 -5.950 5.841 5.243 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.881 6.153 8.186 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.441 4.417 7.342 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.958 3.279 8.677 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.263 4.114 9.496 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.539 2.415 6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.334 3.889 5.221 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.946 3.202 6.097 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.473 1.688 9.758 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.843 2.334 8.823 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.518 1.487 7.991 1.00 0.00 H new ATOM 341 N GLU A 41 -3.459 5.265 8.239 1.00 0.00 N ATOM 342 CA GLU A 41 -2.051 5.037 8.220 1.00 0.00 C ATOM 343 C GLU A 41 -1.829 3.591 8.562 1.00 0.00 C ATOM 344 O GLU A 41 -2.337 3.096 9.560 1.00 0.00 O ATOM 345 CB GLU A 41 -1.366 5.906 9.273 1.00 0.00 C ATOM 346 CG GLU A 41 -1.445 7.400 9.025 1.00 0.00 C ATOM 347 CD GLU A 41 -0.937 8.197 10.201 1.00 0.00 C ATOM 348 OE1 GLU A 41 0.230 8.044 10.584 1.00 0.00 O ATOM 349 OE2 GLU A 41 -1.705 9.015 10.765 1.00 0.00 O ATOM 0 H GLU A 41 -3.869 5.300 9.172 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.640 5.283 7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.811 5.691 10.245 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.316 5.618 9.332 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.863 7.651 8.138 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.478 7.679 8.818 1.00 0.00 H new ATOM 356 N VAL A 42 -1.120 2.912 7.724 1.00 0.00 N ATOM 357 CA VAL A 42 -0.799 1.530 7.941 1.00 0.00 C ATOM 358 C VAL A 42 0.699 1.400 7.913 1.00 0.00 C ATOM 359 O VAL A 42 1.350 1.955 7.033 1.00 0.00 O ATOM 360 CB VAL A 42 -1.442 0.643 6.846 1.00 0.00 C ATOM 361 CG1 VAL A 42 -1.097 -0.819 7.028 1.00 0.00 C ATOM 362 CG2 VAL A 42 -2.947 0.831 6.811 1.00 0.00 C ATOM 0 H VAL A 42 -0.741 3.299 6.860 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.191 1.197 8.902 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.027 0.963 5.890 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.568 -1.405 6.239 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.016 -0.947 6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.458 -1.160 7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.375 0.197 6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.371 0.556 7.777 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.178 1.874 6.597 1.00 0.00 H new ATOM 372 N TYR A 43 1.239 0.701 8.868 1.00 0.00 N ATOM 373 CA TYR A 43 2.674 0.593 9.003 1.00 0.00 C ATOM 374 C TYR A 43 3.120 -0.853 8.852 1.00 0.00 C ATOM 375 O TYR A 43 4.275 -1.131 8.527 1.00 0.00 O ATOM 376 CB TYR A 43 3.090 1.090 10.390 1.00 0.00 C ATOM 377 CG TYR A 43 2.443 2.394 10.817 1.00 0.00 C ATOM 378 CD1 TYR A 43 1.352 2.385 11.673 1.00 0.00 C ATOM 379 CD2 TYR A 43 2.919 3.622 10.378 1.00 0.00 C ATOM 380 CE1 TYR A 43 0.756 3.552 12.086 1.00 0.00 C ATOM 381 CE2 TYR A 43 2.319 4.800 10.786 1.00 0.00 C ATOM 382 CZ TYR A 43 1.241 4.755 11.640 1.00 0.00 C ATOM 383 OH TYR A 43 0.653 5.930 12.073 1.00 0.00 O ATOM 0 H TYR A 43 0.708 0.191 9.574 1.00 0.00 H new ATOM 0 HA TYR A 43 3.141 1.195 8.224 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.847 0.322 11.124 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.173 1.215 10.406 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.962 1.440 12.023 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.767 3.658 9.710 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.089 3.522 12.758 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.695 5.750 10.436 1.00 0.00 H new ATOM 0 HH TYR A 43 0.779 6.628 11.397 1.00 0.00 H new ATOM 393 N LYS A 44 2.207 -1.767 9.073 1.00 0.00 N ATOM 394 CA LYS A 44 2.527 -3.170 9.066 1.00 0.00 C ATOM 395 C LYS A 44 1.571 -3.922 8.168 1.00 0.00 C ATOM 396 O LYS A 44 0.515 -3.421 7.825 1.00 0.00 O ATOM 397 CB LYS A 44 2.485 -3.735 10.498 1.00 0.00 C ATOM 398 CG LYS A 44 1.133 -3.605 11.182 1.00 0.00 C ATOM 399 CD LYS A 44 1.185 -4.122 12.606 1.00 0.00 C ATOM 400 CE LYS A 44 -0.169 -4.006 13.277 1.00 0.00 C ATOM 401 NZ LYS A 44 -0.133 -4.472 14.680 1.00 0.00 N ATOM 0 H LYS A 44 1.226 -1.559 9.262 1.00 0.00 H new ATOM 0 HA LYS A 44 3.537 -3.297 8.676 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.765 -4.788 10.469 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.235 -3.222 11.101 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.822 -2.560 11.183 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.383 -4.160 10.618 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.507 -5.163 12.607 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.926 -3.559 13.174 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.500 -2.968 13.248 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.901 -4.590 12.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.079 -4.376 15.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.158 -5.470 14.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.547 -3.898 15.219 1.00 0.00 H new ATOM 415 N SER A 45 1.952 -5.103 7.791 1.00 0.00 N ATOM 416 CA SER A 45 1.150 -5.934 6.948 1.00 0.00 C ATOM 417 C SER A 45 0.040 -6.617 7.753 1.00 0.00 C ATOM 418 O SER A 45 0.226 -6.943 8.929 1.00 0.00 O ATOM 419 CB SER A 45 2.071 -6.938 6.283 1.00 0.00 C ATOM 420 OG SER A 45 3.036 -7.440 7.218 1.00 0.00 O ATOM 0 H SER A 45 2.841 -5.522 8.064 1.00 0.00 H new ATOM 0 HA SER A 45 0.649 -5.339 6.184 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.485 -7.764 5.879 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.582 -6.469 5.442 1.00 0.00 H new ATOM 0 HG SER A 45 3.620 -8.087 6.770 1.00 0.00 H new ATOM 426 N VAL A 46 -1.095 -6.819 7.143 1.00 0.00 N ATOM 427 CA VAL A 46 -2.207 -7.427 7.813 1.00 0.00 C ATOM 428 C VAL A 46 -2.621 -8.698 7.059 1.00 0.00 C ATOM 429 O VAL A 46 -2.666 -8.706 5.824 1.00 0.00 O ATOM 430 CB VAL A 46 -3.398 -6.433 7.950 1.00 0.00 C ATOM 431 CG1 VAL A 46 -4.030 -6.107 6.611 1.00 0.00 C ATOM 432 CG2 VAL A 46 -4.415 -6.940 8.948 1.00 0.00 C ATOM 0 H VAL A 46 -1.273 -6.567 6.171 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.906 -7.699 8.825 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.997 -5.495 8.335 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.856 -5.411 6.758 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.285 -5.653 5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.405 -7.022 6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.236 -6.227 9.025 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.801 -7.904 8.616 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.942 -7.055 9.923 1.00 0.00 H new ATOM 442 N GLY A 47 -2.907 -9.758 7.785 1.00 0.00 N ATOM 443 CA GLY A 47 -3.241 -11.009 7.136 1.00 0.00 C ATOM 444 C GLY A 47 -4.731 -11.215 6.929 1.00 0.00 C ATOM 445 O GLY A 47 -5.138 -12.033 6.092 1.00 0.00 O ATOM 0 H GLY A 47 -2.916 -9.781 8.805 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.740 -11.050 6.169 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.850 -11.833 7.733 1.00 0.00 H new ATOM 449 N SER A 48 -5.542 -10.474 7.660 1.00 0.00 N ATOM 450 CA SER A 48 -6.978 -10.603 7.577 1.00 0.00 C ATOM 451 C SER A 48 -7.637 -9.353 8.149 1.00 0.00 C ATOM 452 O SER A 48 -7.248 -8.865 9.219 1.00 0.00 O ATOM 453 CB SER A 48 -7.434 -11.858 8.346 1.00 0.00 C ATOM 454 OG SER A 48 -8.833 -12.110 8.220 1.00 0.00 O ATOM 0 H SER A 48 -5.222 -9.769 8.325 1.00 0.00 H new ATOM 0 HA SER A 48 -7.276 -10.709 6.534 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.880 -12.723 7.981 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.185 -11.742 9.401 1.00 0.00 H new ATOM 0 HG SER A 48 -9.067 -12.917 8.725 1.00 0.00 H new ATOM 460 N LEU A 49 -8.575 -8.830 7.420 1.00 0.00 N ATOM 461 CA LEU A 49 -9.333 -7.667 7.812 1.00 0.00 C ATOM 462 C LEU A 49 -10.795 -8.018 7.857 1.00 0.00 C ATOM 463 O LEU A 49 -11.366 -8.462 6.857 1.00 0.00 O ATOM 464 CB LEU A 49 -9.117 -6.554 6.786 1.00 0.00 C ATOM 465 CG LEU A 49 -7.707 -5.990 6.706 1.00 0.00 C ATOM 466 CD1 LEU A 49 -7.558 -5.112 5.488 1.00 0.00 C ATOM 467 CD2 LEU A 49 -7.396 -5.197 7.956 1.00 0.00 C ATOM 0 H LEU A 49 -8.846 -9.205 6.511 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.004 -7.331 8.795 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.392 -6.935 5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.802 -5.737 7.015 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.004 -6.819 6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.543 -4.717 5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.756 -5.698 4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.267 -4.286 5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.384 -4.797 7.891 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.106 -4.375 8.052 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.473 -5.847 8.828 1.00 0.00 H new ATOM 479 N SER A 50 -11.380 -7.892 9.012 1.00 0.00 N ATOM 480 CA SER A 50 -12.791 -8.100 9.168 1.00 0.00 C ATOM 481 C SER A 50 -13.388 -6.946 9.977 1.00 0.00 C ATOM 482 O SER A 50 -13.084 -6.808 11.172 1.00 0.00 O ATOM 483 CB SER A 50 -13.066 -9.435 9.817 1.00 0.00 C ATOM 484 OG SER A 50 -12.403 -10.477 9.108 1.00 0.00 O ATOM 0 H SER A 50 -10.893 -7.642 9.873 1.00 0.00 H new ATOM 0 HA SER A 50 -13.266 -8.117 8.187 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.728 -9.419 10.853 1.00 0.00 H new ATOM 0 HB3 SER A 50 -14.139 -9.624 9.834 1.00 0.00 H new ATOM 0 HG SER A 50 -12.589 -11.337 9.541 1.00 0.00 H new ATOM 490 N PRO A 51 -14.189 -6.086 9.352 1.00 0.00 N ATOM 491 CA PRO A 51 -14.530 -6.196 7.939 1.00 0.00 C ATOM 492 C PRO A 51 -13.370 -5.719 7.042 1.00 0.00 C ATOM 493 O PRO A 51 -12.463 -5.016 7.518 1.00 0.00 O ATOM 494 CB PRO A 51 -15.740 -5.260 7.779 1.00 0.00 C ATOM 495 CG PRO A 51 -16.075 -4.779 9.157 1.00 0.00 C ATOM 496 CD PRO A 51 -14.823 -4.923 9.963 1.00 0.00 C ATOM 0 HA PRO A 51 -14.737 -7.225 7.645 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.502 -4.424 7.121 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.584 -5.786 7.333 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -16.408 -3.741 9.137 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -16.886 -5.366 9.588 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -14.193 -4.036 9.897 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -15.036 -5.085 11.020 1.00 0.00 H new ATOM 504 N PRO A 52 -13.357 -6.122 5.762 1.00 0.00 N ATOM 505 CA PRO A 52 -12.317 -5.703 4.820 1.00 0.00 C ATOM 506 C PRO A 52 -12.365 -4.195 4.594 1.00 0.00 C ATOM 507 O PRO A 52 -13.400 -3.551 4.823 1.00 0.00 O ATOM 508 CB PRO A 52 -12.667 -6.458 3.523 1.00 0.00 C ATOM 509 CG PRO A 52 -14.107 -6.804 3.656 1.00 0.00 C ATOM 510 CD PRO A 52 -14.346 -7.015 5.126 1.00 0.00 C ATOM 0 HA PRO A 52 -11.312 -5.923 5.180 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.490 -5.837 2.645 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.055 -7.353 3.410 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.738 -6.004 3.268 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.347 -7.703 3.088 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.365 -6.753 5.410 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -14.192 -8.055 5.413 1.00 0.00 H new ATOM 518 N TRP A 53 -11.285 -3.630 4.155 1.00 0.00 N ATOM 519 CA TRP A 53 -11.238 -2.203 3.958 1.00 0.00 C ATOM 520 C TRP A 53 -11.677 -1.867 2.570 1.00 0.00 C ATOM 521 O TRP A 53 -11.290 -2.542 1.622 1.00 0.00 O ATOM 522 CB TRP A 53 -9.831 -1.650 4.199 1.00 0.00 C ATOM 523 CG TRP A 53 -9.361 -1.732 5.627 1.00 0.00 C ATOM 524 CD1 TRP A 53 -10.128 -1.900 6.745 1.00 0.00 C ATOM 525 CD2 TRP A 53 -8.011 -1.629 6.090 1.00 0.00 C ATOM 526 NE1 TRP A 53 -9.340 -1.907 7.859 1.00 0.00 N ATOM 527 CE2 TRP A 53 -8.040 -1.743 7.489 1.00 0.00 C ATOM 528 CE3 TRP A 53 -6.786 -1.458 5.459 1.00 0.00 C ATOM 529 CZ2 TRP A 53 -6.886 -1.688 8.267 1.00 0.00 C ATOM 530 CZ3 TRP A 53 -5.646 -1.408 6.235 1.00 0.00 C ATOM 531 CH2 TRP A 53 -5.703 -1.522 7.622 1.00 0.00 C ATOM 0 H TRP A 53 -10.424 -4.126 3.925 1.00 0.00 H new ATOM 0 HA TRP A 53 -11.912 -1.743 4.680 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.128 -2.193 3.567 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -9.805 -0.608 3.881 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.202 -2.011 6.747 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -9.672 -2.018 8.817 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.727 -1.366 4.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -6.931 -1.774 9.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.687 -1.277 5.756 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -4.789 -1.477 8.195 1.00 0.00 H new ATOM 542 N THR A 54 -12.490 -0.846 2.447 1.00 0.00 N ATOM 543 CA THR A 54 -12.969 -0.409 1.167 1.00 0.00 C ATOM 544 C THR A 54 -12.535 1.036 0.858 1.00 0.00 C ATOM 545 O THR A 54 -13.314 1.988 1.058 1.00 0.00 O ATOM 546 CB THR A 54 -14.501 -0.538 1.083 1.00 0.00 C ATOM 547 OG1 THR A 54 -15.099 0.042 2.258 1.00 0.00 O ATOM 548 CG2 THR A 54 -14.909 -1.998 0.962 1.00 0.00 C ATOM 0 H THR A 54 -12.836 -0.297 3.234 1.00 0.00 H new ATOM 0 HA THR A 54 -12.521 -1.058 0.415 1.00 0.00 H new ATOM 0 HB THR A 54 -14.850 -0.007 0.197 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.764 0.955 2.379 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.995 -2.069 0.904 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.469 -2.425 0.061 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.556 -2.548 1.834 1.00 0.00 H new ATOM 556 N PRO A 55 -11.263 1.240 0.468 1.00 0.00 N ATOM 557 CA PRO A 55 -10.765 2.549 0.100 1.00 0.00 C ATOM 558 C PRO A 55 -11.232 2.967 -1.290 1.00 0.00 C ATOM 559 O PRO A 55 -11.648 2.130 -2.110 1.00 0.00 O ATOM 560 CB PRO A 55 -9.253 2.366 0.116 1.00 0.00 C ATOM 561 CG PRO A 55 -9.061 0.954 -0.260 1.00 0.00 C ATOM 562 CD PRO A 55 -10.191 0.219 0.390 1.00 0.00 C ATOM 0 HA PRO A 55 -11.121 3.329 0.773 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.762 3.037 -0.589 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.836 2.577 1.101 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.080 0.828 -1.343 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.097 0.581 0.087 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.500 -0.645 -0.199 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.915 -0.151 1.378 1.00 0.00 H new ATOM 570 N GLY A 56 -11.216 4.242 -1.533 1.00 0.00 N ATOM 571 CA GLY A 56 -11.547 4.742 -2.832 1.00 0.00 C ATOM 572 C GLY A 56 -10.296 4.898 -3.658 1.00 0.00 C ATOM 573 O GLY A 56 -10.301 4.710 -4.872 1.00 0.00 O ATOM 0 H GLY A 56 -10.976 4.957 -0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.238 4.060 -3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.056 5.702 -2.743 1.00 0.00 H new ATOM 577 N SER A 57 -9.212 5.199 -2.993 1.00 0.00 N ATOM 578 CA SER A 57 -7.949 5.384 -3.636 1.00 0.00 C ATOM 579 C SER A 57 -6.844 5.033 -2.655 1.00 0.00 C ATOM 580 O SER A 57 -7.051 5.098 -1.449 1.00 0.00 O ATOM 581 CB SER A 57 -7.822 6.823 -4.193 1.00 0.00 C ATOM 582 OG SER A 57 -8.082 7.814 -3.214 1.00 0.00 O ATOM 0 H SER A 57 -9.186 5.323 -1.981 1.00 0.00 H new ATOM 0 HA SER A 57 -7.862 4.720 -4.496 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.818 6.967 -4.591 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.516 6.949 -5.024 1.00 0.00 H new ATOM 0 HG SER A 57 -9.012 7.741 -2.914 1.00 0.00 H new ATOM 588 N VAL A 58 -5.708 4.620 -3.145 1.00 0.00 N ATOM 589 CA VAL A 58 -4.616 4.216 -2.274 1.00 0.00 C ATOM 590 C VAL A 58 -3.381 4.951 -2.711 1.00 0.00 C ATOM 591 O VAL A 58 -3.196 5.150 -3.902 1.00 0.00 O ATOM 592 CB VAL A 58 -4.335 2.686 -2.390 1.00 0.00 C ATOM 593 CG1 VAL A 58 -3.289 2.241 -1.381 1.00 0.00 C ATOM 594 CG2 VAL A 58 -5.611 1.869 -2.249 1.00 0.00 C ATOM 0 H VAL A 58 -5.505 4.551 -4.142 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.885 4.445 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.938 2.504 -3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.114 1.170 -1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.358 2.780 -1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.643 2.454 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.375 0.808 -2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.061 2.063 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.312 2.150 -3.035 1.00 0.00 H new ATOM 604 N CYS A 59 -2.549 5.361 -1.792 1.00 0.00 N ATOM 605 CA CYS A 59 -1.339 6.023 -2.177 1.00 0.00 C ATOM 606 C CYS A 59 -0.210 5.690 -1.228 1.00 0.00 C ATOM 607 O CYS A 59 -0.429 5.437 -0.030 1.00 0.00 O ATOM 608 CB CYS A 59 -1.525 7.541 -2.277 1.00 0.00 C ATOM 609 SG CYS A 59 -0.075 8.393 -2.991 1.00 0.00 S ATOM 0 H CYS A 59 -2.686 5.250 -0.787 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.077 5.655 -3.169 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.402 7.754 -2.888 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.723 7.943 -1.284 1.00 0.00 H new ATOM 614 N VAL A 60 0.978 5.644 -1.769 1.00 0.00 N ATOM 615 CA VAL A 60 2.170 5.436 -1.001 1.00 0.00 C ATOM 616 C VAL A 60 3.001 6.711 -1.090 1.00 0.00 C ATOM 617 O VAL A 60 3.343 7.150 -2.199 1.00 0.00 O ATOM 618 CB VAL A 60 2.994 4.231 -1.529 1.00 0.00 C ATOM 619 CG1 VAL A 60 4.266 4.031 -0.708 1.00 0.00 C ATOM 620 CG2 VAL A 60 2.151 2.968 -1.513 1.00 0.00 C ATOM 0 H VAL A 60 1.144 5.752 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 60 1.900 5.209 0.031 1.00 0.00 H new ATOM 0 HB VAL A 60 3.287 4.447 -2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.823 3.180 -1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.883 4.928 -0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.002 3.842 0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.742 2.131 -1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.829 2.759 -0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.276 3.106 -2.149 1.00 0.00 H new ATOM 630 N PRO A 61 3.303 7.341 0.058 1.00 0.00 N ATOM 631 CA PRO A 61 4.060 8.591 0.105 1.00 0.00 C ATOM 632 C PRO A 61 5.435 8.462 -0.551 1.00 0.00 C ATOM 633 O PRO A 61 6.046 7.376 -0.557 1.00 0.00 O ATOM 634 CB PRO A 61 4.205 8.884 1.608 1.00 0.00 C ATOM 635 CG PRO A 61 3.911 7.591 2.281 1.00 0.00 C ATOM 636 CD PRO A 61 2.939 6.877 1.397 1.00 0.00 C ATOM 0 HA PRO A 61 3.555 9.386 -0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.209 9.234 1.847 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.512 9.662 1.927 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.820 7.005 2.414 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.489 7.755 3.273 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.032 5.795 1.487 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.908 7.130 1.645 1.00 0.00 H new ATOM 644 N PHE A 62 5.902 9.538 -1.133 1.00 0.00 N ATOM 645 CA PHE A 62 7.190 9.538 -1.768 1.00 0.00 C ATOM 646 C PHE A 62 8.293 9.488 -0.734 1.00 0.00 C ATOM 647 O PHE A 62 8.490 10.424 0.036 1.00 0.00 O ATOM 648 CB PHE A 62 7.368 10.741 -2.693 1.00 0.00 C ATOM 649 CG PHE A 62 8.725 10.785 -3.344 1.00 0.00 C ATOM 650 CD1 PHE A 62 9.077 9.850 -4.301 1.00 0.00 C ATOM 651 CD2 PHE A 62 9.645 11.759 -2.997 1.00 0.00 C ATOM 652 CE1 PHE A 62 10.318 9.888 -4.903 1.00 0.00 C ATOM 653 CE2 PHE A 62 10.886 11.801 -3.596 1.00 0.00 C ATOM 654 CZ PHE A 62 11.224 10.864 -4.550 1.00 0.00 C ATOM 0 H PHE A 62 5.405 10.427 -1.179 1.00 0.00 H new ATOM 0 HA PHE A 62 7.251 8.642 -2.386 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.600 10.715 -3.466 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.215 11.657 -2.123 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.372 9.081 -4.580 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.388 12.494 -2.249 1.00 0.00 H new ATOM 0 HE1 PHE A 62 10.579 9.153 -5.650 1.00 0.00 H new ATOM 0 HE2 PHE A 62 11.594 12.568 -3.318 1.00 0.00 H new ATOM 0 HZ PHE A 62 12.196 10.895 -5.019 1.00 0.00 H new ATOM 664 N VAL A 63 8.977 8.385 -0.702 1.00 0.00 N ATOM 665 CA VAL A 63 10.058 8.215 0.202 1.00 0.00 C ATOM 666 C VAL A 63 11.368 8.581 -0.492 1.00 0.00 C ATOM 667 O VAL A 63 11.764 7.943 -1.464 1.00 0.00 O ATOM 668 CB VAL A 63 10.113 6.762 0.764 1.00 0.00 C ATOM 669 CG1 VAL A 63 11.216 6.611 1.763 1.00 0.00 C ATOM 670 CG2 VAL A 63 8.778 6.366 1.375 1.00 0.00 C ATOM 0 H VAL A 63 8.797 7.582 -1.304 1.00 0.00 H new ATOM 0 HA VAL A 63 9.905 8.881 1.052 1.00 0.00 H new ATOM 0 HB VAL A 63 10.320 6.091 -0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.230 5.588 2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.171 6.837 1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.052 7.299 2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.842 5.348 1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.534 7.048 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.000 6.418 0.614 1.00 0.00 H new ATOM 680 N ASN A 64 11.984 9.624 0.009 1.00 0.00 N ATOM 681 CA ASN A 64 13.272 10.169 -0.459 1.00 0.00 C ATOM 682 C ASN A 64 14.295 9.995 0.658 1.00 0.00 C ATOM 683 O ASN A 64 15.304 10.687 0.746 1.00 0.00 O ATOM 684 CB ASN A 64 13.103 11.667 -0.789 1.00 0.00 C ATOM 685 CG ASN A 64 12.635 12.525 0.400 1.00 0.00 C ATOM 686 OD1 ASN A 64 11.933 12.055 1.305 1.00 0.00 O ATOM 687 ND2 ASN A 64 12.987 13.777 0.387 1.00 0.00 N ATOM 0 H ASN A 64 11.598 10.153 0.791 1.00 0.00 H new ATOM 0 HA ASN A 64 13.606 9.647 -1.355 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.054 12.057 -1.152 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.384 11.770 -1.602 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.684 14.400 1.136 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.566 14.136 -0.372 1.00 0.00 H new ATOM 694 N ASP A 65 14.002 9.025 1.461 1.00 0.00 N ATOM 695 CA ASP A 65 14.737 8.656 2.660 1.00 0.00 C ATOM 696 C ASP A 65 16.131 8.115 2.345 1.00 0.00 C ATOM 697 O ASP A 65 16.319 7.465 1.319 1.00 0.00 O ATOM 698 CB ASP A 65 13.932 7.631 3.422 1.00 0.00 C ATOM 699 CG ASP A 65 14.509 7.292 4.747 1.00 0.00 C ATOM 700 OD1 ASP A 65 14.118 7.916 5.737 1.00 0.00 O ATOM 701 OD2 ASP A 65 15.354 6.399 4.825 1.00 0.00 O ATOM 0 H ASP A 65 13.195 8.422 1.301 1.00 0.00 H new ATOM 0 HA ASP A 65 14.882 9.551 3.264 1.00 0.00 H new ATOM 0 HB2 ASP A 65 12.918 8.007 3.561 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.856 6.723 2.824 1.00 0.00 H new ATOM 706 N THR A 66 17.086 8.395 3.233 1.00 0.00 N ATOM 707 CA THR A 66 18.499 8.013 3.106 1.00 0.00 C ATOM 708 C THR A 66 18.719 6.479 2.852 1.00 0.00 C ATOM 709 O THR A 66 19.808 6.063 2.410 1.00 0.00 O ATOM 710 CB THR A 66 19.221 8.421 4.400 1.00 0.00 C ATOM 711 OG1 THR A 66 18.739 9.716 4.793 1.00 0.00 O ATOM 712 CG2 THR A 66 20.732 8.508 4.192 1.00 0.00 C ATOM 0 H THR A 66 16.894 8.912 4.091 1.00 0.00 H new ATOM 0 HA THR A 66 18.900 8.527 2.233 1.00 0.00 H new ATOM 0 HB THR A 66 19.022 7.670 5.164 1.00 0.00 H new ATOM 0 HG1 THR A 66 19.187 9.995 5.619 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.212 8.799 5.127 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.112 7.537 3.876 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.952 9.251 3.425 1.00 0.00 H new ATOM 720 N LYS A 67 17.715 5.647 3.147 1.00 0.00 N ATOM 721 CA LYS A 67 17.798 4.214 2.832 1.00 0.00 C ATOM 722 C LYS A 67 17.813 4.007 1.308 1.00 0.00 C ATOM 723 O LYS A 67 17.556 4.938 0.537 1.00 0.00 O ATOM 724 CB LYS A 67 16.600 3.444 3.427 1.00 0.00 C ATOM 725 CG LYS A 67 16.442 3.584 4.937 1.00 0.00 C ATOM 726 CD LYS A 67 17.609 3.003 5.718 1.00 0.00 C ATOM 727 CE LYS A 67 17.492 3.306 7.215 1.00 0.00 C ATOM 728 NZ LYS A 67 16.218 2.829 7.811 1.00 0.00 N ATOM 0 H LYS A 67 16.846 5.934 3.597 1.00 0.00 H new ATOM 0 HA LYS A 67 18.720 3.831 3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.686 3.792 2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 67 16.707 2.387 3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.335 4.639 5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.523 3.087 5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.648 1.924 5.566 1.00 0.00 H new ATOM 0 HD3 LYS A 67 18.544 3.413 5.335 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.327 2.842 7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.577 4.382 7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.248 2.956 8.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.425 3.375 7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.087 1.821 7.590 1.00 0.00 H new ATOM 742 N ARG A 68 18.132 2.816 0.888 1.00 0.00 N ATOM 743 CA ARG A 68 18.100 2.465 -0.518 1.00 0.00 C ATOM 744 C ARG A 68 16.896 1.578 -0.790 1.00 0.00 C ATOM 745 O ARG A 68 16.484 1.390 -1.940 1.00 0.00 O ATOM 746 CB ARG A 68 19.399 1.765 -0.933 1.00 0.00 C ATOM 747 CG ARG A 68 20.655 2.593 -0.680 1.00 0.00 C ATOM 748 CD ARG A 68 20.626 3.912 -1.441 1.00 0.00 C ATOM 749 NE ARG A 68 21.792 4.757 -1.141 1.00 0.00 N ATOM 750 CZ ARG A 68 22.020 5.963 -1.684 1.00 0.00 C ATOM 751 NH1 ARG A 68 21.210 6.436 -2.624 1.00 0.00 N ATOM 752 NH2 ARG A 68 23.070 6.677 -1.299 1.00 0.00 N ATOM 0 H ARG A 68 18.422 2.056 1.503 1.00 0.00 H new ATOM 0 HA ARG A 68 18.012 3.375 -1.111 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.482 0.823 -0.391 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.345 1.519 -1.994 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.751 2.791 0.388 1.00 0.00 H new ATOM 0 HG3 ARG A 68 21.534 2.021 -0.978 1.00 0.00 H new ATOM 0 HD2 ARG A 68 20.593 3.710 -2.512 1.00 0.00 H new ATOM 0 HD3 ARG A 68 19.714 4.453 -1.190 1.00 0.00 H new ATOM 0 HE ARG A 68 22.476 4.401 -0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 68 20.412 5.882 -2.935 1.00 0.00 H new ATOM 0 HH12 ARG A 68 21.386 7.353 -3.035 1.00 0.00 H new ATOM 0 HH21 ARG A 68 23.704 6.309 -0.590 1.00 0.00 H new ATOM 0 HH22 ARG A 68 23.243 7.593 -1.712 1.00 0.00 H new ATOM 766 N GLU A 69 16.332 1.039 0.275 1.00 0.00 N ATOM 767 CA GLU A 69 15.153 0.222 0.178 1.00 0.00 C ATOM 768 C GLU A 69 13.916 1.082 0.357 1.00 0.00 C ATOM 769 O GLU A 69 13.808 1.875 1.308 1.00 0.00 O ATOM 770 CB GLU A 69 15.145 -0.922 1.213 1.00 0.00 C ATOM 771 CG GLU A 69 16.162 -2.050 0.991 1.00 0.00 C ATOM 772 CD GLU A 69 17.610 -1.629 1.112 1.00 0.00 C ATOM 773 OE1 GLU A 69 17.999 -1.113 2.183 1.00 0.00 O ATOM 774 OE2 GLU A 69 18.400 -1.867 0.173 1.00 0.00 O ATOM 0 H GLU A 69 16.683 1.159 1.225 1.00 0.00 H new ATOM 0 HA GLU A 69 15.154 -0.233 -0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.321 -0.492 2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.147 -1.360 1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.967 -2.844 1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.003 -2.474 -0.000 1.00 0.00 H new ATOM 781 N ARG A 70 13.019 0.959 -0.563 1.00 0.00 N ATOM 782 CA ARG A 70 11.772 1.665 -0.554 1.00 0.00 C ATOM 783 C ARG A 70 10.647 0.733 -0.195 1.00 0.00 C ATOM 784 O ARG A 70 10.752 -0.461 -0.400 1.00 0.00 O ATOM 785 CB ARG A 70 11.504 2.293 -1.909 1.00 0.00 C ATOM 786 CG ARG A 70 11.664 3.807 -1.972 1.00 0.00 C ATOM 787 CD ARG A 70 13.060 4.307 -1.668 1.00 0.00 C ATOM 788 NE ARG A 70 13.414 4.311 -0.269 1.00 0.00 N ATOM 789 CZ ARG A 70 14.332 5.106 0.224 1.00 0.00 C ATOM 790 NH1 ARG A 70 15.056 5.876 -0.590 1.00 0.00 N ATOM 791 NH2 ARG A 70 14.558 5.125 1.513 1.00 0.00 N ATOM 0 H ARG A 70 13.133 0.346 -1.370 1.00 0.00 H new ATOM 0 HA ARG A 70 11.833 2.456 0.194 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.177 1.843 -2.638 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.489 2.039 -2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.379 4.148 -2.967 1.00 0.00 H new ATOM 0 HG3 ARG A 70 10.968 4.262 -1.268 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.777 3.688 -2.207 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.159 5.321 -2.056 1.00 0.00 H new ATOM 0 HE ARG A 70 12.931 3.670 0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.895 5.846 -1.597 1.00 0.00 H new ATOM 0 HH12 ARG A 70 15.770 6.494 -0.206 1.00 0.00 H new ATOM 0 HH21 ARG A 70 14.020 4.521 2.134 1.00 0.00 H new ATOM 0 HH22 ARG A 70 15.272 5.744 1.896 1.00 0.00 H new ATOM 805 N PRO A 71 9.564 1.248 0.359 1.00 0.00 N ATOM 806 CA PRO A 71 8.427 0.431 0.697 1.00 0.00 C ATOM 807 C PRO A 71 7.540 0.187 -0.532 1.00 0.00 C ATOM 808 O PRO A 71 7.266 1.108 -1.319 1.00 0.00 O ATOM 809 CB PRO A 71 7.715 1.274 1.747 1.00 0.00 C ATOM 810 CG PRO A 71 7.984 2.680 1.341 1.00 0.00 C ATOM 811 CD PRO A 71 9.341 2.671 0.686 1.00 0.00 C ATOM 0 HA PRO A 71 8.692 -0.564 1.055 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.646 1.064 1.766 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.098 1.069 2.747 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.220 3.040 0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.972 3.345 2.205 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.358 3.294 -0.208 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.111 3.053 1.356 1.00 0.00 H new ATOM 819 N TYR A 72 7.130 -1.030 -0.704 1.00 0.00 N ATOM 820 CA TYR A 72 6.289 -1.408 -1.797 1.00 0.00 C ATOM 821 C TYR A 72 5.130 -2.166 -1.190 1.00 0.00 C ATOM 822 O TYR A 72 5.320 -3.175 -0.516 1.00 0.00 O ATOM 823 CB TYR A 72 7.073 -2.286 -2.776 1.00 0.00 C ATOM 824 CG TYR A 72 6.444 -2.423 -4.149 1.00 0.00 C ATOM 825 CD1 TYR A 72 5.501 -3.396 -4.414 1.00 0.00 C ATOM 826 CD2 TYR A 72 6.816 -1.573 -5.185 1.00 0.00 C ATOM 827 CE1 TYR A 72 4.944 -3.527 -5.669 1.00 0.00 C ATOM 828 CE2 TYR A 72 6.260 -1.694 -6.444 1.00 0.00 C ATOM 829 CZ TYR A 72 5.325 -2.675 -6.682 1.00 0.00 C ATOM 830 OH TYR A 72 4.774 -2.814 -7.947 1.00 0.00 O ATOM 0 H TYR A 72 7.373 -1.800 -0.081 1.00 0.00 H new ATOM 0 HA TYR A 72 5.933 -0.544 -2.358 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.075 -1.873 -2.890 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.185 -3.280 -2.342 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.194 -4.066 -3.625 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.553 -0.805 -5.002 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.210 -4.297 -5.857 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.557 -1.023 -7.236 1.00 0.00 H new ATOM 0 HH TYR A 72 3.845 -2.503 -7.935 1.00 0.00 H new ATOM 840 N TRP A 73 3.963 -1.691 -1.401 1.00 0.00 N ATOM 841 CA TRP A 73 2.825 -2.220 -0.727 1.00 0.00 C ATOM 842 C TRP A 73 1.962 -3.046 -1.643 1.00 0.00 C ATOM 843 O TRP A 73 1.686 -2.656 -2.778 1.00 0.00 O ATOM 844 CB TRP A 73 2.035 -1.088 -0.090 1.00 0.00 C ATOM 845 CG TRP A 73 2.777 -0.390 1.025 1.00 0.00 C ATOM 846 CD1 TRP A 73 3.670 0.637 0.918 1.00 0.00 C ATOM 847 CD2 TRP A 73 2.660 -0.670 2.416 1.00 0.00 C ATOM 848 NE1 TRP A 73 4.105 1.013 2.167 1.00 0.00 N ATOM 849 CE2 TRP A 73 3.497 0.226 3.103 1.00 0.00 C ATOM 850 CE3 TRP A 73 1.920 -1.587 3.144 1.00 0.00 C ATOM 851 CZ2 TRP A 73 3.605 0.226 4.494 1.00 0.00 C ATOM 852 CZ3 TRP A 73 2.017 -1.593 4.511 1.00 0.00 C ATOM 853 CH2 TRP A 73 2.854 -0.691 5.182 1.00 0.00 C ATOM 0 H TRP A 73 3.761 -0.925 -2.044 1.00 0.00 H new ATOM 0 HA TRP A 73 3.173 -2.892 0.058 1.00 0.00 H new ATOM 0 HB2 TRP A 73 1.778 -0.358 -0.857 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.097 -1.484 0.300 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.988 1.088 -0.011 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.773 1.758 2.363 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.273 -2.290 2.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.254 0.920 5.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.439 -2.305 5.081 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.908 -0.719 6.260 1.00 0.00 H new ATOM 864 N TYR A 74 1.573 -4.189 -1.158 1.00 0.00 N ATOM 865 CA TYR A 74 0.709 -5.086 -1.874 1.00 0.00 C ATOM 866 C TYR A 74 -0.632 -5.181 -1.195 1.00 0.00 C ATOM 867 O TYR A 74 -0.706 -5.258 0.028 1.00 0.00 O ATOM 868 CB TYR A 74 1.333 -6.469 -2.007 1.00 0.00 C ATOM 869 CG TYR A 74 2.313 -6.602 -3.148 1.00 0.00 C ATOM 870 CD1 TYR A 74 3.677 -6.668 -2.927 1.00 0.00 C ATOM 871 CD2 TYR A 74 1.860 -6.670 -4.460 1.00 0.00 C ATOM 872 CE1 TYR A 74 4.562 -6.798 -3.982 1.00 0.00 C ATOM 873 CE2 TYR A 74 2.728 -6.797 -5.509 1.00 0.00 C ATOM 874 CZ TYR A 74 4.079 -6.861 -5.271 1.00 0.00 C ATOM 875 OH TYR A 74 4.947 -6.984 -6.328 1.00 0.00 O ATOM 0 H TYR A 74 1.851 -4.531 -0.238 1.00 0.00 H new ATOM 0 HA TYR A 74 0.569 -4.683 -2.877 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.842 -6.716 -1.076 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.538 -7.202 -2.139 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.056 -6.617 -1.917 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.799 -6.621 -4.655 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.625 -6.850 -3.797 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.353 -6.847 -6.520 1.00 0.00 H new ATOM 0 HH TYR A 74 4.440 -7.015 -7.166 1.00 0.00 H new ATOM 885 N LEU A 75 -1.672 -5.231 -1.980 1.00 0.00 N ATOM 886 CA LEU A 75 -3.024 -5.272 -1.468 1.00 0.00 C ATOM 887 C LEU A 75 -3.680 -6.477 -2.081 1.00 0.00 C ATOM 888 O LEU A 75 -3.406 -6.799 -3.250 1.00 0.00 O ATOM 889 CB LEU A 75 -3.797 -4.022 -1.931 1.00 0.00 C ATOM 890 CG LEU A 75 -3.071 -2.672 -1.817 1.00 0.00 C ATOM 891 CD1 LEU A 75 -3.942 -1.555 -2.332 1.00 0.00 C ATOM 892 CD2 LEU A 75 -2.647 -2.383 -0.398 1.00 0.00 C ATOM 0 H LEU A 75 -1.611 -5.245 -2.998 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.021 -5.311 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.082 -4.167 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.719 -3.961 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.172 -2.736 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.410 -0.608 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.186 -1.737 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.861 -1.511 -1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.137 -1.420 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.526 -2.354 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.971 -3.165 -0.054 1.00 0.00 H new ATOM 904 N PHE A 76 -4.503 -7.153 -1.307 1.00 0.00 N ATOM 905 CA PHE A 76 -5.154 -8.371 -1.738 1.00 0.00 C ATOM 906 C PHE A 76 -6.605 -8.326 -1.362 1.00 0.00 C ATOM 907 O PHE A 76 -6.958 -7.858 -0.271 1.00 0.00 O ATOM 908 CB PHE A 76 -4.501 -9.584 -1.076 1.00 0.00 C ATOM 909 CG PHE A 76 -3.042 -9.699 -1.354 1.00 0.00 C ATOM 910 CD1 PHE A 76 -2.118 -9.082 -0.530 1.00 0.00 C ATOM 911 CD2 PHE A 76 -2.592 -10.403 -2.446 1.00 0.00 C ATOM 912 CE1 PHE A 76 -0.780 -9.165 -0.799 1.00 0.00 C ATOM 913 CE2 PHE A 76 -1.256 -10.496 -2.711 1.00 0.00 C ATOM 914 CZ PHE A 76 -0.346 -9.874 -1.890 1.00 0.00 C ATOM 0 H PHE A 76 -4.740 -6.871 -0.356 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.054 -8.457 -2.820 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.654 -9.526 0.002 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.001 -10.489 -1.421 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.457 -8.529 0.334 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.302 -10.887 -3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.067 -8.674 -0.154 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.914 -11.059 -3.567 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.710 -9.943 -2.104 1.00 0.00 H new ATOM 924 N ASP A 77 -7.452 -8.815 -2.234 1.00 0.00 N ATOM 925 CA ASP A 77 -8.887 -8.772 -1.984 1.00 0.00 C ATOM 926 C ASP A 77 -9.329 -9.908 -1.072 1.00 0.00 C ATOM 927 O ASP A 77 -10.456 -9.895 -0.559 1.00 0.00 O ATOM 928 CB ASP A 77 -9.711 -8.765 -3.281 1.00 0.00 C ATOM 929 CG ASP A 77 -9.993 -10.121 -3.861 1.00 0.00 C ATOM 930 OD1 ASP A 77 -9.076 -10.754 -4.393 1.00 0.00 O ATOM 931 OD2 ASP A 77 -11.174 -10.547 -3.834 1.00 0.00 O ATOM 0 H ASP A 77 -7.184 -9.246 -3.119 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.081 -7.828 -1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.660 -8.264 -3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.183 -8.170 -4.026 1.00 0.00 H new ATOM 936 N ASN A 78 -8.454 -10.879 -0.850 1.00 0.00 N ATOM 937 CA ASN A 78 -8.761 -11.959 0.060 1.00 0.00 C ATOM 938 C ASN A 78 -7.688 -12.023 1.145 1.00 0.00 C ATOM 939 O ASN A 78 -6.702 -11.296 1.068 1.00 0.00 O ATOM 940 CB ASN A 78 -8.901 -13.297 -0.666 1.00 0.00 C ATOM 941 CG ASN A 78 -9.729 -14.268 0.151 1.00 0.00 C ATOM 942 OD1 ASN A 78 -9.212 -15.058 0.934 1.00 0.00 O ATOM 943 ND2 ASN A 78 -11.012 -14.152 0.033 1.00 0.00 N ATOM 0 H ASN A 78 -7.534 -10.936 -1.287 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.728 -11.760 0.523 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.369 -13.141 -1.638 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.914 -13.720 -0.852 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.631 -14.729 0.603 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.405 -13.483 -0.630 1.00 0.00 H new ATOM 950 N VAL A 79 -7.891 -12.860 2.155 1.00 0.00 N ATOM 951 CA VAL A 79 -6.986 -12.981 3.292 1.00 0.00 C ATOM 952 C VAL A 79 -5.745 -13.758 2.933 1.00 0.00 C ATOM 953 O VAL A 79 -5.673 -14.368 1.863 1.00 0.00 O ATOM 954 CB VAL A 79 -7.653 -13.690 4.500 1.00 0.00 C ATOM 955 CG1 VAL A 79 -8.841 -12.909 4.996 1.00 0.00 C ATOM 956 CG2 VAL A 79 -8.060 -15.114 4.144 1.00 0.00 C ATOM 0 H VAL A 79 -8.698 -13.481 2.208 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.725 -11.959 3.567 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.917 -13.738 5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.290 -13.428 5.843 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.519 -11.916 5.309 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.576 -12.817 4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.525 -15.587 5.009 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.770 -15.094 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.177 -15.682 3.851 1.00 0.00 H new ATOM 966 N ASN A 80 -4.767 -13.719 3.834 1.00 0.00 N ATOM 967 CA ASN A 80 -3.499 -14.466 3.713 1.00 0.00 C ATOM 968 C ASN A 80 -2.792 -14.195 2.403 1.00 0.00 C ATOM 969 O ASN A 80 -2.021 -15.029 1.906 1.00 0.00 O ATOM 970 CB ASN A 80 -3.715 -15.976 3.923 1.00 0.00 C ATOM 971 CG ASN A 80 -4.005 -16.328 5.369 1.00 0.00 C ATOM 972 OD1 ASN A 80 -3.096 -16.562 6.158 1.00 0.00 O ATOM 973 ND2 ASN A 80 -5.263 -16.380 5.730 1.00 0.00 N ATOM 0 H ASN A 80 -4.825 -13.161 4.686 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.847 -14.103 4.507 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.543 -16.311 3.298 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.828 -16.516 3.593 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.508 -16.620 6.690 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.997 -16.180 5.051 1.00 0.00 H new ATOM 980 N TYR A 81 -3.000 -12.978 1.903 1.00 0.00 N ATOM 981 CA TYR A 81 -2.377 -12.466 0.701 1.00 0.00 C ATOM 982 C TYR A 81 -2.784 -13.274 -0.531 1.00 0.00 C ATOM 983 O TYR A 81 -1.977 -13.494 -1.443 1.00 0.00 O ATOM 984 CB TYR A 81 -0.849 -12.431 0.857 1.00 0.00 C ATOM 985 CG TYR A 81 -0.366 -11.808 2.156 1.00 0.00 C ATOM 986 CD1 TYR A 81 0.711 -12.348 2.826 1.00 0.00 C ATOM 987 CD2 TYR A 81 -0.995 -10.704 2.716 1.00 0.00 C ATOM 988 CE1 TYR A 81 1.159 -11.817 3.999 1.00 0.00 C ATOM 989 CE2 TYR A 81 -0.548 -10.168 3.901 1.00 0.00 C ATOM 990 CZ TYR A 81 0.535 -10.730 4.538 1.00 0.00 C ATOM 991 OH TYR A 81 0.998 -10.204 5.722 1.00 0.00 O ATOM 0 H TYR A 81 -3.628 -12.306 2.343 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.731 -11.446 0.552 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.466 -13.449 0.792 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.423 -11.876 0.021 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.211 -13.211 2.412 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.844 -10.262 2.216 1.00 0.00 H new ATOM 0 HE1 TYR A 81 2.008 -12.257 4.502 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.044 -9.310 4.330 1.00 0.00 H new ATOM 0 HH TYR A 81 1.963 -10.360 5.794 1.00 0.00 H new ATOM 1001 N THR A 82 -4.039 -13.662 -0.587 1.00 0.00 N ATOM 1002 CA THR A 82 -4.538 -14.399 -1.722 1.00 0.00 C ATOM 1003 C THR A 82 -5.531 -13.534 -2.501 1.00 0.00 C ATOM 1004 O THR A 82 -5.928 -12.449 -2.035 1.00 0.00 O ATOM 1005 CB THR A 82 -5.221 -15.731 -1.296 1.00 0.00 C ATOM 1006 OG1 THR A 82 -6.342 -15.468 -0.446 1.00 0.00 O ATOM 1007 CG2 THR A 82 -4.248 -16.627 -0.553 1.00 0.00 C ATOM 0 H THR A 82 -4.730 -13.479 0.140 1.00 0.00 H new ATOM 0 HA THR A 82 -3.687 -14.652 -2.355 1.00 0.00 H new ATOM 0 HB THR A 82 -5.554 -16.234 -2.204 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.051 -14.936 0.324 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.750 -17.551 -0.267 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.401 -16.859 -1.199 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.892 -16.115 0.341 1.00 0.00 H new ATOM 1015 N GLY A 83 -5.925 -13.998 -3.663 1.00 0.00 N ATOM 1016 CA GLY A 83 -6.869 -13.276 -4.457 1.00 0.00 C ATOM 1017 C GLY A 83 -6.189 -12.368 -5.431 1.00 0.00 C ATOM 1018 O GLY A 83 -5.113 -12.698 -5.958 1.00 0.00 O ATOM 0 H GLY A 83 -5.602 -14.874 -4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.504 -13.979 -4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.520 -12.691 -3.807 1.00 0.00 H new ATOM 1022 N ARG A 84 -6.797 -11.245 -5.672 1.00 0.00 N ATOM 1023 CA ARG A 84 -6.273 -10.241 -6.564 1.00 0.00 C ATOM 1024 C ARG A 84 -5.140 -9.505 -5.890 1.00 0.00 C ATOM 1025 O ARG A 84 -5.160 -9.320 -4.675 1.00 0.00 O ATOM 1026 CB ARG A 84 -7.372 -9.273 -6.952 1.00 0.00 C ATOM 1027 CG ARG A 84 -8.423 -9.855 -7.870 1.00 0.00 C ATOM 1028 CD ARG A 84 -9.536 -8.860 -8.095 1.00 0.00 C ATOM 1029 NE ARG A 84 -10.430 -9.255 -9.182 1.00 0.00 N ATOM 1030 CZ ARG A 84 -11.588 -8.661 -9.469 1.00 0.00 C ATOM 1031 NH1 ARG A 84 -12.200 -7.913 -8.563 1.00 0.00 N ATOM 1032 NH2 ARG A 84 -12.174 -8.892 -10.630 1.00 0.00 N ATOM 0 H ARG A 84 -7.689 -10.991 -5.248 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.895 -10.721 -7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.858 -8.913 -6.046 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.922 -8.407 -7.438 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.971 -10.127 -8.824 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.827 -10.770 -7.437 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.113 -8.751 -7.176 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.106 -7.884 -8.319 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.147 -10.043 -9.764 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.785 -7.789 -7.639 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.086 -7.461 -8.789 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.740 -9.523 -11.304 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.060 -8.439 -10.853 1.00 0.00 H new ATOM 1046 N ILE A 85 -4.173 -9.070 -6.661 1.00 0.00 N ATOM 1047 CA ILE A 85 -3.004 -8.453 -6.094 1.00 0.00 C ATOM 1048 C ILE A 85 -2.779 -7.073 -6.707 1.00 0.00 C ATOM 1049 O ILE A 85 -2.974 -6.856 -7.909 1.00 0.00 O ATOM 1050 CB ILE A 85 -1.742 -9.369 -6.287 1.00 0.00 C ATOM 1051 CG1 ILE A 85 -0.543 -8.835 -5.518 1.00 0.00 C ATOM 1052 CG2 ILE A 85 -1.370 -9.477 -7.752 1.00 0.00 C ATOM 1053 CD1 ILE A 85 0.676 -9.747 -5.584 1.00 0.00 C ATOM 0 H ILE A 85 -4.174 -9.132 -7.679 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.165 -8.327 -5.023 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.005 -10.354 -5.901 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.275 -7.855 -5.913 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.824 -8.693 -4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.494 -10.116 -7.859 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.203 -9.907 -8.308 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.146 -8.485 -8.144 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.493 -9.304 -5.014 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.425 -10.720 -5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.983 -9.870 -6.623 1.00 0.00 H new ATOM 1065 N THR A 86 -2.464 -6.139 -5.882 1.00 0.00 N ATOM 1066 CA THR A 86 -2.141 -4.812 -6.325 1.00 0.00 C ATOM 1067 C THR A 86 -0.850 -4.353 -5.664 1.00 0.00 C ATOM 1068 O THR A 86 -0.734 -4.417 -4.453 1.00 0.00 O ATOM 1069 CB THR A 86 -3.312 -3.855 -6.026 1.00 0.00 C ATOM 1070 OG1 THR A 86 -4.467 -4.333 -6.719 1.00 0.00 O ATOM 1071 CG2 THR A 86 -3.012 -2.444 -6.477 1.00 0.00 C ATOM 0 H THR A 86 -2.420 -6.266 -4.871 1.00 0.00 H new ATOM 0 HA THR A 86 -1.985 -4.810 -7.404 1.00 0.00 H new ATOM 0 HB THR A 86 -3.477 -3.831 -4.949 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.099 -4.716 -6.076 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.862 -1.801 -6.249 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.128 -2.076 -5.957 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.830 -2.436 -7.552 1.00 0.00 H new ATOM 1079 N GLY A 87 0.112 -3.951 -6.458 1.00 0.00 N ATOM 1080 CA GLY A 87 1.371 -3.507 -5.928 1.00 0.00 C ATOM 1081 C GLY A 87 1.624 -2.048 -6.202 1.00 0.00 C ATOM 1082 O GLY A 87 1.725 -1.650 -7.360 1.00 0.00 O ATOM 0 H GLY A 87 0.044 -3.923 -7.475 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.391 -3.681 -4.852 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.175 -4.101 -6.362 1.00 0.00 H new ATOM 1086 N LEU A 88 1.743 -1.268 -5.153 1.00 0.00 N ATOM 1087 CA LEU A 88 1.977 0.172 -5.246 1.00 0.00 C ATOM 1088 C LEU A 88 3.350 0.535 -4.733 1.00 0.00 C ATOM 1089 O LEU A 88 3.862 -0.098 -3.798 1.00 0.00 O ATOM 1090 CB LEU A 88 0.894 0.953 -4.467 1.00 0.00 C ATOM 1091 CG LEU A 88 -0.270 1.533 -5.287 1.00 0.00 C ATOM 1092 CD1 LEU A 88 0.191 2.729 -6.095 1.00 0.00 C ATOM 1093 CD2 LEU A 88 -0.847 0.483 -6.212 1.00 0.00 C ATOM 0 H LEU A 88 1.681 -1.611 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 88 1.921 0.450 -6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.478 0.290 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.381 1.774 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.045 1.854 -4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.647 3.125 -6.669 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.567 3.500 -5.422 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.985 2.424 -6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.669 0.914 -6.783 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.073 0.136 -6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.215 -0.358 -5.624 1.00 0.00 H new ATOM 1105 N GLY A 89 3.943 1.539 -5.343 1.00 0.00 N ATOM 1106 CA GLY A 89 5.246 1.986 -4.945 1.00 0.00 C ATOM 1107 C GLY A 89 5.232 3.416 -4.453 1.00 0.00 C ATOM 1108 O GLY A 89 4.212 4.114 -4.572 1.00 0.00 O ATOM 0 H GLY A 89 3.535 2.059 -6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.627 1.336 -4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.931 1.900 -5.788 1.00 0.00 H new ATOM 1112 N HIS A 90 6.367 3.859 -3.929 1.00 0.00 N ATOM 1113 CA HIS A 90 6.503 5.193 -3.336 1.00 0.00 C ATOM 1114 C HIS A 90 6.264 6.296 -4.358 1.00 0.00 C ATOM 1115 O HIS A 90 6.779 6.251 -5.488 1.00 0.00 O ATOM 1116 CB HIS A 90 7.891 5.388 -2.643 1.00 0.00 C ATOM 1117 CG HIS A 90 9.087 5.466 -3.579 1.00 0.00 C ATOM 1118 ND1 HIS A 90 10.004 6.512 -3.604 1.00 0.00 N ATOM 1119 CD2 HIS A 90 9.502 4.596 -4.524 1.00 0.00 C ATOM 1120 CE1 HIS A 90 10.910 6.243 -4.548 1.00 0.00 C ATOM 1121 NE2 HIS A 90 10.650 5.089 -5.138 1.00 0.00 N ATOM 0 H HIS A 90 7.224 3.306 -3.901 1.00 0.00 H new ATOM 0 HA HIS A 90 5.731 5.266 -2.570 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.856 6.302 -2.050 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.049 4.563 -1.948 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.018 3.661 -4.766 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.744 6.883 -4.796 1.00 0.00 H new ATOM 0 HE2 HIS A 90 11.182 4.650 -5.889 1.00 0.00 H new ATOM 1129 N GLY A 91 5.460 7.250 -3.981 1.00 0.00 N ATOM 1130 CA GLY A 91 5.204 8.377 -4.824 1.00 0.00 C ATOM 1131 C GLY A 91 4.201 8.057 -5.890 1.00 0.00 C ATOM 1132 O GLY A 91 4.087 8.768 -6.884 1.00 0.00 O ATOM 0 H GLY A 91 4.968 7.266 -3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.840 9.208 -4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.135 8.704 -5.287 1.00 0.00 H new ATOM 1136 N THR A 92 3.502 6.968 -5.722 1.00 0.00 N ATOM 1137 CA THR A 92 2.501 6.588 -6.664 1.00 0.00 C ATOM 1138 C THR A 92 1.188 6.340 -5.924 1.00 0.00 C ATOM 1139 O THR A 92 1.188 5.875 -4.768 1.00 0.00 O ATOM 1140 CB THR A 92 2.956 5.321 -7.417 1.00 0.00 C ATOM 1141 OG1 THR A 92 4.305 5.540 -7.884 1.00 0.00 O ATOM 1142 CG2 THR A 92 2.062 5.040 -8.620 1.00 0.00 C ATOM 0 H THR A 92 3.613 6.329 -4.935 1.00 0.00 H new ATOM 0 HA THR A 92 2.349 7.384 -7.393 1.00 0.00 H new ATOM 0 HB THR A 92 2.899 4.467 -6.742 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.617 4.746 -8.366 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.409 4.141 -9.129 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.035 4.893 -8.284 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.102 5.885 -9.308 1.00 0.00 H new ATOM 1150 N CYS A 93 0.097 6.652 -6.566 1.00 0.00 N ATOM 1151 CA CYS A 93 -1.201 6.489 -5.980 1.00 0.00 C ATOM 1152 C CYS A 93 -2.136 5.908 -7.021 1.00 0.00 C ATOM 1153 O CYS A 93 -1.859 5.975 -8.217 1.00 0.00 O ATOM 1154 CB CYS A 93 -1.803 7.831 -5.557 1.00 0.00 C ATOM 1155 SG CYS A 93 -0.677 9.093 -4.807 1.00 0.00 S ATOM 0 H CYS A 93 0.085 7.028 -7.514 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.089 5.844 -5.109 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.269 8.279 -6.435 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.600 7.628 -4.842 1.00 0.00 H new ATOM 1160 N ILE A 94 -3.171 5.267 -6.571 1.00 0.00 N ATOM 1161 CA ILE A 94 -4.245 4.831 -7.424 1.00 0.00 C ATOM 1162 C ILE A 94 -5.311 5.889 -7.363 1.00 0.00 C ATOM 1163 O ILE A 94 -5.704 6.271 -6.267 1.00 0.00 O ATOM 1164 CB ILE A 94 -4.864 3.523 -6.933 1.00 0.00 C ATOM 1165 CG1 ILE A 94 -3.786 2.504 -6.723 1.00 0.00 C ATOM 1166 CG2 ILE A 94 -5.873 3.010 -7.959 1.00 0.00 C ATOM 1167 CD1 ILE A 94 -4.293 1.178 -6.193 1.00 0.00 C ATOM 0 H ILE A 94 -3.299 5.026 -5.588 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.857 4.672 -8.430 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.378 3.700 -5.988 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.271 2.334 -7.668 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.050 2.906 -6.027 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.311 2.077 -7.604 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.660 3.751 -8.097 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.369 2.835 -8.909 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.455 0.492 -6.067 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.782 1.334 -5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.007 0.753 -6.899 1.00 0.00 H new ATOM 1179 N ASP A 95 -5.746 6.383 -8.480 1.00 0.00 N ATOM 1180 CA ASP A 95 -6.822 7.388 -8.485 1.00 0.00 C ATOM 1181 C ASP A 95 -8.169 6.780 -8.123 1.00 0.00 C ATOM 1182 O ASP A 95 -8.907 7.307 -7.288 1.00 0.00 O ATOM 1183 CB ASP A 95 -6.888 8.201 -9.782 1.00 0.00 C ATOM 1184 CG ASP A 95 -5.732 9.177 -9.911 1.00 0.00 C ATOM 1185 OD1 ASP A 95 -4.690 8.824 -10.529 1.00 0.00 O ATOM 1186 OD2 ASP A 95 -5.846 10.310 -9.404 1.00 0.00 O ATOM 0 H ASP A 95 -5.393 6.126 -9.402 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.566 8.102 -7.702 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.884 7.522 -10.634 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.829 8.750 -9.817 1.00 0.00 H new ATOM 1191 N ASP A 96 -8.474 5.662 -8.727 1.00 0.00 N ATOM 1192 CA ASP A 96 -9.700 4.945 -8.458 1.00 0.00 C ATOM 1193 C ASP A 96 -9.404 3.509 -8.172 1.00 0.00 C ATOM 1194 O ASP A 96 -9.263 2.692 -9.097 1.00 0.00 O ATOM 1195 CB ASP A 96 -10.674 4.959 -9.614 1.00 0.00 C ATOM 1196 CG ASP A 96 -11.400 6.248 -9.893 1.00 0.00 C ATOM 1197 OD1 ASP A 96 -12.631 6.306 -9.648 1.00 0.00 O ATOM 1198 OD2 ASP A 96 -10.801 7.188 -10.411 1.00 0.00 O ATOM 0 H ASP A 96 -7.877 5.217 -9.425 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.150 5.456 -7.607 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.131 4.677 -10.516 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.420 4.184 -9.435 1.00 0.00 H new ATOM 1203 N PHE A 97 -9.308 3.182 -6.920 1.00 0.00 N ATOM 1204 CA PHE A 97 -9.047 1.819 -6.509 1.00 0.00 C ATOM 1205 C PHE A 97 -10.206 0.915 -6.907 1.00 0.00 C ATOM 1206 O PHE A 97 -10.018 -0.207 -7.353 1.00 0.00 O ATOM 1207 CB PHE A 97 -8.791 1.753 -5.007 1.00 0.00 C ATOM 1208 CG PHE A 97 -8.434 0.390 -4.533 1.00 0.00 C ATOM 1209 CD1 PHE A 97 -9.227 -0.280 -3.626 1.00 0.00 C ATOM 1210 CD2 PHE A 97 -7.298 -0.225 -5.009 1.00 0.00 C ATOM 1211 CE1 PHE A 97 -8.881 -1.543 -3.204 1.00 0.00 C ATOM 1212 CE2 PHE A 97 -6.949 -1.483 -4.595 1.00 0.00 C ATOM 1213 CZ PHE A 97 -7.738 -2.141 -3.691 1.00 0.00 C ATOM 0 H PHE A 97 -9.407 3.843 -6.149 1.00 0.00 H new ATOM 0 HA PHE A 97 -8.150 1.466 -7.018 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.986 2.442 -4.752 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.681 2.093 -4.478 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -10.123 0.188 -3.245 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.672 0.293 -5.720 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -9.504 -2.065 -2.493 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.056 -1.953 -4.980 1.00 0.00 H new ATOM 0 HZ PHE A 97 -7.465 -3.131 -3.358 1.00 0.00 H new ATOM 1223 N THR A 98 -11.386 1.472 -6.841 1.00 0.00 N ATOM 1224 CA THR A 98 -12.606 0.748 -7.098 1.00 0.00 C ATOM 1225 C THR A 98 -12.708 0.335 -8.588 1.00 0.00 C ATOM 1226 O THR A 98 -13.243 -0.720 -8.927 1.00 0.00 O ATOM 1227 CB THR A 98 -13.835 1.597 -6.645 1.00 0.00 C ATOM 1228 OG1 THR A 98 -15.056 0.919 -6.913 1.00 0.00 O ATOM 1229 CG2 THR A 98 -13.845 2.965 -7.317 1.00 0.00 C ATOM 0 H THR A 98 -11.531 2.454 -6.604 1.00 0.00 H new ATOM 0 HA THR A 98 -12.598 -0.173 -6.515 1.00 0.00 H new ATOM 0 HB THR A 98 -13.744 1.741 -5.568 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.809 1.472 -6.618 1.00 0.00 H new ATOM 0 HG21 THR A 98 -14.714 3.530 -6.979 1.00 0.00 H new ATOM 0 HG22 THR A 98 -12.936 3.506 -7.054 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.892 2.839 -8.399 1.00 0.00 H new ATOM 1237 N LYS A 99 -12.106 1.128 -9.458 1.00 0.00 N ATOM 1238 CA LYS A 99 -12.160 0.877 -10.891 1.00 0.00 C ATOM 1239 C LYS A 99 -11.005 -0.046 -11.284 1.00 0.00 C ATOM 1240 O LYS A 99 -10.919 -0.506 -12.413 1.00 0.00 O ATOM 1241 CB LYS A 99 -12.045 2.195 -11.669 1.00 0.00 C ATOM 1242 CG LYS A 99 -12.978 3.307 -11.189 1.00 0.00 C ATOM 1243 CD LYS A 99 -14.435 3.053 -11.422 1.00 0.00 C ATOM 1244 CE LYS A 99 -15.283 4.157 -10.760 1.00 0.00 C ATOM 1245 NZ LYS A 99 -14.839 5.540 -11.125 1.00 0.00 N ATOM 0 H LYS A 99 -11.571 1.956 -9.196 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.113 0.407 -11.133 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.016 2.550 -11.604 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -12.249 1.998 -12.722 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.817 3.461 -10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.701 4.235 -11.690 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.639 3.021 -12.492 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.711 2.080 -11.016 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.326 4.029 -11.050 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.237 4.041 -9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.618 6.209 -10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.023 5.809 -10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.567 5.564 -12.128 1.00 0.00 H new ATOM 1259 N SER A 100 -10.124 -0.321 -10.327 1.00 0.00 N ATOM 1260 CA SER A 100 -8.978 -1.166 -10.574 1.00 0.00 C ATOM 1261 C SER A 100 -9.369 -2.647 -10.518 1.00 0.00 C ATOM 1262 O SER A 100 -8.605 -3.523 -10.946 1.00 0.00 O ATOM 1263 CB SER A 100 -7.862 -0.865 -9.575 1.00 0.00 C ATOM 1264 OG SER A 100 -7.446 0.500 -9.646 1.00 0.00 O ATOM 0 H SER A 100 -10.189 0.034 -9.373 1.00 0.00 H new ATOM 0 HA SER A 100 -8.608 -0.951 -11.577 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.207 -1.089 -8.565 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.011 -1.516 -9.773 1.00 0.00 H new ATOM 0 HG SER A 100 -8.202 1.084 -9.429 1.00 0.00 H new ATOM 1270 N GLY A 101 -10.547 -2.915 -10.006 1.00 0.00 N ATOM 1271 CA GLY A 101 -11.028 -4.260 -9.923 1.00 0.00 C ATOM 1272 C GLY A 101 -11.719 -4.503 -8.622 1.00 0.00 C ATOM 1273 O GLY A 101 -12.933 -4.629 -8.572 1.00 0.00 O ATOM 0 H GLY A 101 -11.188 -2.210 -9.641 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.716 -4.455 -10.746 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.195 -4.955 -10.032 1.00 0.00 H new ATOM 1277 N PHE A 102 -10.963 -4.542 -7.567 1.00 0.00 N ATOM 1278 CA PHE A 102 -11.521 -4.768 -6.261 1.00 0.00 C ATOM 1279 C PHE A 102 -11.425 -3.511 -5.442 1.00 0.00 C ATOM 1280 O PHE A 102 -10.503 -2.733 -5.625 1.00 0.00 O ATOM 1281 CB PHE A 102 -10.839 -5.959 -5.549 1.00 0.00 C ATOM 1282 CG PHE A 102 -9.357 -5.816 -5.244 1.00 0.00 C ATOM 1283 CD1 PHE A 102 -8.925 -5.568 -3.949 1.00 0.00 C ATOM 1284 CD2 PHE A 102 -8.405 -5.967 -6.235 1.00 0.00 C ATOM 1285 CE1 PHE A 102 -7.580 -5.480 -3.656 1.00 0.00 C ATOM 1286 CE2 PHE A 102 -7.059 -5.872 -5.945 1.00 0.00 C ATOM 1287 CZ PHE A 102 -6.648 -5.630 -4.654 1.00 0.00 C ATOM 0 H PHE A 102 -9.950 -4.420 -7.582 1.00 0.00 H new ATOM 0 HA PHE A 102 -12.573 -5.031 -6.375 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -11.363 -6.140 -4.611 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -10.975 -6.847 -6.166 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.652 -5.442 -3.160 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -8.719 -6.162 -7.250 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.260 -5.293 -2.642 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -6.328 -5.988 -6.731 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.595 -5.558 -4.426 1.00 0.00 H new ATOM 1297 N LYS A 103 -12.391 -3.288 -4.587 1.00 0.00 N ATOM 1298 CA LYS A 103 -12.351 -2.117 -3.717 1.00 0.00 C ATOM 1299 C LYS A 103 -12.163 -2.571 -2.271 1.00 0.00 C ATOM 1300 O LYS A 103 -11.934 -1.768 -1.382 1.00 0.00 O ATOM 1301 CB LYS A 103 -13.646 -1.246 -3.838 1.00 0.00 C ATOM 1302 CG LYS A 103 -14.842 -1.697 -2.974 1.00 0.00 C ATOM 1303 CD LYS A 103 -15.323 -3.085 -3.319 1.00 0.00 C ATOM 1304 CE LYS A 103 -16.306 -3.605 -2.294 1.00 0.00 C ATOM 1305 NZ LYS A 103 -16.723 -4.986 -2.605 1.00 0.00 N ATOM 0 H LYS A 103 -13.208 -3.886 -4.467 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.513 -1.495 -4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.396 -0.219 -3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.959 -1.237 -4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.556 -1.668 -1.923 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.663 -0.991 -3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.794 -3.074 -4.302 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.470 -3.761 -3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.852 -3.574 -1.303 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -17.181 -2.956 -2.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.397 -5.316 -1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.177 -5.009 -3.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.889 -5.608 -2.609 1.00 0.00 H new ATOM 1319 N GLY A 104 -12.280 -3.868 -2.056 1.00 0.00 N ATOM 1320 CA GLY A 104 -12.202 -4.407 -0.737 1.00 0.00 C ATOM 1321 C GLY A 104 -10.942 -5.180 -0.529 1.00 0.00 C ATOM 1322 O GLY A 104 -10.717 -6.196 -1.180 1.00 0.00 O ATOM 0 H GLY A 104 -12.430 -4.560 -2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.256 -3.597 -0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.060 -5.055 -0.557 1.00 0.00 H new ATOM 1326 N ILE A 105 -10.117 -4.700 0.353 1.00 0.00 N ATOM 1327 CA ILE A 105 -8.870 -5.347 0.656 1.00 0.00 C ATOM 1328 C ILE A 105 -9.054 -6.164 1.915 1.00 0.00 C ATOM 1329 O ILE A 105 -9.396 -5.621 2.970 1.00 0.00 O ATOM 1330 CB ILE A 105 -7.779 -4.271 0.887 1.00 0.00 C ATOM 1331 CG1 ILE A 105 -7.633 -3.423 -0.362 1.00 0.00 C ATOM 1332 CG2 ILE A 105 -6.451 -4.905 1.244 1.00 0.00 C ATOM 1333 CD1 ILE A 105 -6.832 -2.172 -0.156 1.00 0.00 C ATOM 0 H ILE A 105 -10.288 -3.847 0.885 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.565 -5.993 -0.168 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.085 -3.642 1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.161 -4.021 -1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.625 -3.152 -0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.706 -4.125 1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.561 -5.490 2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.129 -5.557 0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.772 -1.620 -1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.313 -1.552 0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.827 -2.434 0.175 1.00 0.00 H new ATOM 1345 N SER A 106 -8.917 -7.461 1.784 1.00 0.00 N ATOM 1346 CA SER A 106 -9.004 -8.352 2.907 1.00 0.00 C ATOM 1347 C SER A 106 -7.644 -8.494 3.624 1.00 0.00 C ATOM 1348 O SER A 106 -7.583 -8.754 4.819 1.00 0.00 O ATOM 1349 CB SER A 106 -9.615 -9.687 2.503 1.00 0.00 C ATOM 1350 OG SER A 106 -10.043 -10.428 3.626 1.00 0.00 O ATOM 0 H SER A 106 -8.742 -7.926 0.893 1.00 0.00 H new ATOM 0 HA SER A 106 -9.683 -7.914 3.639 1.00 0.00 H new ATOM 0 HB2 SER A 106 -10.461 -9.513 1.838 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.882 -10.267 1.942 1.00 0.00 H new ATOM 0 HG SER A 106 -10.698 -11.100 3.344 1.00 0.00 H new ATOM 1356 N SER A 107 -6.552 -8.357 2.879 1.00 0.00 N ATOM 1357 CA SER A 107 -5.224 -8.445 3.486 1.00 0.00 C ATOM 1358 C SER A 107 -4.216 -7.555 2.750 1.00 0.00 C ATOM 1359 O SER A 107 -4.400 -7.242 1.569 1.00 0.00 O ATOM 1360 CB SER A 107 -4.732 -9.909 3.583 1.00 0.00 C ATOM 1361 OG SER A 107 -4.567 -10.524 2.319 1.00 0.00 O ATOM 0 H SER A 107 -6.555 -8.188 1.873 1.00 0.00 H new ATOM 0 HA SER A 107 -5.307 -8.071 4.506 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.783 -9.932 4.118 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.444 -10.487 4.172 1.00 0.00 H new ATOM 0 HG SER A 107 -5.412 -10.937 2.043 1.00 0.00 H new ATOM 1367 N ILE A 108 -3.166 -7.149 3.445 1.00 0.00 N ATOM 1368 CA ILE A 108 -2.164 -6.241 2.899 1.00 0.00 C ATOM 1369 C ILE A 108 -0.789 -6.787 3.214 1.00 0.00 C ATOM 1370 O ILE A 108 -0.521 -7.134 4.358 1.00 0.00 O ATOM 1371 CB ILE A 108 -2.261 -4.819 3.538 1.00 0.00 C ATOM 1372 CG1 ILE A 108 -3.668 -4.248 3.394 1.00 0.00 C ATOM 1373 CG2 ILE A 108 -1.234 -3.875 2.927 1.00 0.00 C ATOM 1374 CD1 ILE A 108 -3.805 -2.857 3.934 1.00 0.00 C ATOM 0 H ILE A 108 -2.982 -7.439 4.405 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.337 -6.162 1.826 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.042 -4.918 4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.946 -4.249 2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -4.372 -4.901 3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.323 -2.892 3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -0.232 -4.267 3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.411 -3.789 1.855 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.831 -2.514 3.799 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.558 -2.853 4.996 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.126 -2.191 3.401 1.00 0.00 H new ATOM 1386 N LYS A 109 0.089 -6.807 2.243 1.00 0.00 N ATOM 1387 CA LYS A 109 1.427 -7.309 2.455 1.00 0.00 C ATOM 1388 C LYS A 109 2.387 -6.168 2.249 1.00 0.00 C ATOM 1389 O LYS A 109 2.276 -5.413 1.281 1.00 0.00 O ATOM 1390 CB LYS A 109 1.779 -8.450 1.474 1.00 0.00 C ATOM 1391 CG LYS A 109 3.136 -9.114 1.753 1.00 0.00 C ATOM 1392 CD LYS A 109 3.578 -10.074 0.641 1.00 0.00 C ATOM 1393 CE LYS A 109 2.592 -11.198 0.411 1.00 0.00 C ATOM 1394 NZ LYS A 109 3.033 -12.131 -0.644 1.00 0.00 N ATOM 0 H LYS A 109 -0.098 -6.481 1.295 1.00 0.00 H new ATOM 0 HA LYS A 109 1.494 -7.713 3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 109 0.998 -9.209 1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.781 -8.055 0.458 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.893 -8.340 1.878 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.079 -9.660 2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.707 -9.515 -0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.550 -10.496 0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.450 -11.748 1.341 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.624 -10.778 0.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.323 -12.882 -0.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.144 -11.615 -1.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.943 -12.555 -0.374 1.00 0.00 H new ATOM 1408 N ARG A 110 3.300 -6.024 3.154 1.00 0.00 N ATOM 1409 CA ARG A 110 4.252 -4.968 3.077 1.00 0.00 C ATOM 1410 C ARG A 110 5.561 -5.522 2.591 1.00 0.00 C ATOM 1411 O ARG A 110 6.173 -6.383 3.249 1.00 0.00 O ATOM 1412 CB ARG A 110 4.456 -4.310 4.432 1.00 0.00 C ATOM 1413 CG ARG A 110 5.424 -3.139 4.391 1.00 0.00 C ATOM 1414 CD ARG A 110 5.773 -2.645 5.786 1.00 0.00 C ATOM 1415 NE ARG A 110 6.449 -3.685 6.591 1.00 0.00 N ATOM 1416 CZ ARG A 110 7.028 -3.474 7.791 1.00 0.00 C ATOM 1417 NH1 ARG A 110 6.996 -2.269 8.349 1.00 0.00 N ATOM 1418 NH2 ARG A 110 7.620 -4.480 8.431 1.00 0.00 N ATOM 0 H ARG A 110 3.406 -6.634 3.965 1.00 0.00 H new ATOM 0 HA ARG A 110 3.877 -4.214 2.385 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.494 -3.964 4.809 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.826 -5.054 5.138 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.335 -3.439 3.873 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.984 -2.324 3.816 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.418 -1.770 5.709 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.864 -2.327 6.296 1.00 0.00 H new ATOM 0 HE ARG A 110 6.480 -4.631 6.211 1.00 0.00 H new ATOM 0 HH11 ARG A 110 6.532 -1.497 7.870 1.00 0.00 H new ATOM 0 HH12 ARG A 110 7.435 -2.115 9.257 1.00 0.00 H new ATOM 0 HH21 ARG A 110 7.636 -5.411 8.014 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.058 -4.320 9.338 1.00 0.00 H new ATOM 1432 N CYS A 111 5.987 -5.050 1.486 1.00 0.00 N ATOM 1433 CA CYS A 111 7.203 -5.469 0.917 1.00 0.00 C ATOM 1434 C CYS A 111 8.119 -4.275 0.777 1.00 0.00 C ATOM 1435 O CYS A 111 7.715 -3.128 1.020 1.00 0.00 O ATOM 1436 CB CYS A 111 6.924 -6.116 -0.431 1.00 0.00 C ATOM 1437 SG CYS A 111 5.773 -7.535 -0.361 1.00 0.00 S ATOM 0 H CYS A 111 5.489 -4.347 0.940 1.00 0.00 H new ATOM 0 HA CYS A 111 7.694 -6.204 1.555 1.00 0.00 H new ATOM 0 HB2 CYS A 111 6.514 -5.363 -1.104 1.00 0.00 H new ATOM 0 HB3 CYS A 111 7.868 -6.450 -0.863 1.00 0.00 H new ATOM 1442 N ILE A 112 9.328 -4.534 0.455 1.00 0.00 N ATOM 1443 CA ILE A 112 10.300 -3.526 0.242 1.00 0.00 C ATOM 1444 C ILE A 112 10.964 -3.759 -1.084 1.00 0.00 C ATOM 1445 O ILE A 112 11.206 -4.896 -1.481 1.00 0.00 O ATOM 1446 CB ILE A 112 11.377 -3.492 1.345 1.00 0.00 C ATOM 1447 CG1 ILE A 112 11.889 -4.901 1.631 1.00 0.00 C ATOM 1448 CG2 ILE A 112 10.841 -2.834 2.613 1.00 0.00 C ATOM 1449 CD1 ILE A 112 13.207 -4.930 2.340 1.00 0.00 C ATOM 0 H ILE A 112 9.683 -5.482 0.328 1.00 0.00 H new ATOM 0 HA ILE A 112 9.784 -2.566 0.262 1.00 0.00 H new ATOM 0 HB ILE A 112 12.213 -2.890 0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.151 -5.431 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 112 11.981 -5.443 0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.621 -2.823 3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.536 -1.811 2.391 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.983 -3.397 2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.507 -5.964 2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 112 13.959 -4.429 1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.116 -4.417 3.298 1.00 0.00 H new ATOM 1461 N GLN A 113 11.232 -2.716 -1.753 1.00 0.00 N ATOM 1462 CA GLN A 113 11.858 -2.765 -3.018 1.00 0.00 C ATOM 1463 C GLN A 113 13.223 -2.152 -2.874 1.00 0.00 C ATOM 1464 O GLN A 113 13.352 -1.014 -2.415 1.00 0.00 O ATOM 1465 CB GLN A 113 11.013 -2.024 -4.059 1.00 0.00 C ATOM 1466 CG GLN A 113 11.599 -2.043 -5.452 1.00 0.00 C ATOM 1467 CD GLN A 113 10.751 -1.310 -6.474 1.00 0.00 C ATOM 1468 OE1 GLN A 113 10.900 -0.104 -6.670 1.00 0.00 O ATOM 1469 NE2 GLN A 113 9.915 -2.032 -7.184 1.00 0.00 N ATOM 0 H GLN A 113 11.018 -1.772 -1.432 1.00 0.00 H new ATOM 0 HA GLN A 113 11.954 -3.794 -3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.018 -2.469 -4.088 1.00 0.00 H new ATOM 0 HB3 GLN A 113 10.890 -0.989 -3.742 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.592 -1.594 -5.426 1.00 0.00 H new ATOM 0 HG3 GLN A 113 11.725 -3.078 -5.771 1.00 0.00 H new ATOM 0 HE21 GLN A 113 9.815 -3.030 -6.996 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.365 -1.595 -7.924 1.00 0.00 H new ATOM 1478 N THR A 114 14.232 -2.906 -3.211 1.00 0.00 N ATOM 1479 CA THR A 114 15.590 -2.450 -3.077 1.00 0.00 C ATOM 1480 C THR A 114 15.907 -1.474 -4.210 1.00 0.00 C ATOM 1481 O THR A 114 15.052 -1.214 -5.079 1.00 0.00 O ATOM 1482 CB THR A 114 16.577 -3.647 -3.143 1.00 0.00 C ATOM 1483 OG1 THR A 114 16.608 -4.186 -4.475 1.00 0.00 O ATOM 1484 CG2 THR A 114 16.153 -4.748 -2.179 1.00 0.00 C ATOM 0 H THR A 114 14.139 -3.850 -3.585 1.00 0.00 H new ATOM 0 HA THR A 114 15.701 -1.956 -2.112 1.00 0.00 H new ATOM 0 HB THR A 114 17.566 -3.285 -2.864 1.00 0.00 H new ATOM 0 HG1 THR A 114 17.513 -4.502 -4.679 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.858 -5.577 -2.241 1.00 0.00 H new ATOM 0 HG22 THR A 114 16.142 -4.357 -1.162 1.00 0.00 H new ATOM 0 HG23 THR A 114 15.156 -5.099 -2.444 1.00 0.00 H new ATOM 1492 N LYS A 115 17.127 -0.974 -4.240 1.00 0.00 N ATOM 1493 CA LYS A 115 17.572 -0.079 -5.292 1.00 0.00 C ATOM 1494 C LYS A 115 17.452 -0.755 -6.648 1.00 0.00 C ATOM 1495 O LYS A 115 17.170 -0.112 -7.662 1.00 0.00 O ATOM 1496 CB LYS A 115 19.020 0.315 -5.071 1.00 0.00 C ATOM 1497 CG LYS A 115 19.566 1.238 -6.132 1.00 0.00 C ATOM 1498 CD LYS A 115 18.850 2.569 -6.160 1.00 0.00 C ATOM 1499 CE LYS A 115 19.251 3.343 -7.383 1.00 0.00 C ATOM 1500 NZ LYS A 115 18.713 2.733 -8.622 1.00 0.00 N ATOM 0 H LYS A 115 17.838 -1.176 -3.537 1.00 0.00 H new ATOM 0 HA LYS A 115 16.941 0.810 -5.268 1.00 0.00 H new ATOM 0 HB2 LYS A 115 19.111 0.799 -4.099 1.00 0.00 H new ATOM 0 HB3 LYS A 115 19.631 -0.587 -5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 115 20.629 1.404 -5.954 1.00 0.00 H new ATOM 0 HG3 LYS A 115 19.477 0.760 -7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 115 17.772 2.411 -6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 115 19.091 3.140 -5.263 1.00 0.00 H new ATOM 0 HE2 LYS A 115 18.892 4.369 -7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 115 20.338 3.389 -7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 19.500 2.453 -9.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 18.148 1.894 -8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 18.112 3.423 -9.116 1.00 0.00 H new ATOM 1514 N ASP A 116 17.589 -2.065 -6.635 1.00 0.00 N ATOM 1515 CA ASP A 116 17.596 -2.853 -7.855 1.00 0.00 C ATOM 1516 C ASP A 116 16.185 -3.006 -8.373 1.00 0.00 C ATOM 1517 O ASP A 116 15.972 -3.464 -9.492 1.00 0.00 O ATOM 1518 CB ASP A 116 18.031 -4.271 -7.543 1.00 0.00 C ATOM 1519 CG ASP A 116 19.235 -4.421 -6.686 1.00 0.00 C ATOM 1520 OD1 ASP A 116 20.360 -4.389 -7.196 1.00 0.00 O ATOM 1521 OD2 ASP A 116 19.053 -4.664 -5.473 1.00 0.00 O ATOM 0 H ASP A 116 17.698 -2.614 -5.782 1.00 0.00 H new ATOM 0 HA ASP A 116 18.255 -2.353 -8.565 1.00 0.00 H new ATOM 0 HB2 ASP A 116 17.201 -4.784 -7.058 1.00 0.00 H new ATOM 0 HB3 ASP A 116 18.217 -4.786 -8.485 1.00 0.00 H new ATOM 1526 N GLY A 117 15.228 -2.596 -7.585 1.00 0.00 N ATOM 1527 CA GLY A 117 13.867 -2.766 -7.958 1.00 0.00 C ATOM 1528 C GLY A 117 13.348 -4.148 -7.612 1.00 0.00 C ATOM 1529 O GLY A 117 12.238 -4.501 -8.009 1.00 0.00 O ATOM 0 H GLY A 117 15.375 -2.143 -6.683 1.00 0.00 H new ATOM 0 HA2 GLY A 117 13.258 -2.014 -7.456 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.762 -2.598 -9.030 1.00 0.00 H new ATOM 1533 N LYS A 118 14.131 -4.935 -6.870 1.00 0.00 N ATOM 1534 CA LYS A 118 13.672 -6.246 -6.497 1.00 0.00 C ATOM 1535 C LYS A 118 12.813 -6.102 -5.260 1.00 0.00 C ATOM 1536 O LYS A 118 13.136 -5.306 -4.363 1.00 0.00 O ATOM 1537 CB LYS A 118 14.829 -7.253 -6.274 1.00 0.00 C ATOM 1538 CG LYS A 118 15.697 -7.017 -5.047 1.00 0.00 C ATOM 1539 CD LYS A 118 16.611 -8.203 -4.778 1.00 0.00 C ATOM 1540 CE LYS A 118 17.745 -8.345 -5.792 1.00 0.00 C ATOM 1541 NZ LYS A 118 18.880 -7.413 -5.532 1.00 0.00 N ATOM 0 H LYS A 118 15.059 -4.684 -6.530 1.00 0.00 H new ATOM 0 HA LYS A 118 13.090 -6.664 -7.318 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.404 -8.254 -6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 118 15.470 -7.239 -7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.297 -6.119 -5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 118 15.062 -6.840 -4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 118 17.038 -8.103 -3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 118 16.017 -9.117 -4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 118 18.113 -9.371 -5.775 1.00 0.00 H new ATOM 0 HE3 LYS A 118 17.355 -8.163 -6.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 19.501 -7.381 -6.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 18.510 -6.460 -5.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 19.422 -7.747 -4.709 1.00 0.00 H new ATOM 1555 N VAL A 119 11.722 -6.811 -5.213 1.00 0.00 N ATOM 1556 CA VAL A 119 10.796 -6.644 -4.132 1.00 0.00 C ATOM 1557 C VAL A 119 10.843 -7.833 -3.169 1.00 0.00 C ATOM 1558 O VAL A 119 10.465 -8.960 -3.512 1.00 0.00 O ATOM 1559 CB VAL A 119 9.348 -6.408 -4.650 1.00 0.00 C ATOM 1560 CG1 VAL A 119 8.416 -6.076 -3.509 1.00 0.00 C ATOM 1561 CG2 VAL A 119 9.314 -5.293 -5.689 1.00 0.00 C ATOM 0 H VAL A 119 11.453 -7.507 -5.908 1.00 0.00 H new ATOM 0 HA VAL A 119 11.101 -5.754 -3.582 1.00 0.00 H new ATOM 0 HB VAL A 119 9.011 -7.332 -5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.410 -5.915 -3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.403 -6.902 -2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 119 8.761 -5.171 -3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 119 8.290 -5.149 -6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.680 -4.368 -5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 119 9.947 -5.564 -6.534 1.00 0.00 H new ATOM 1571 N GLU A 120 11.318 -7.570 -1.992 1.00 0.00 N ATOM 1572 CA GLU A 120 11.396 -8.538 -0.928 1.00 0.00 C ATOM 1573 C GLU A 120 10.243 -8.280 0.011 1.00 0.00 C ATOM 1574 O GLU A 120 9.798 -7.153 0.120 1.00 0.00 O ATOM 1575 CB GLU A 120 12.723 -8.398 -0.181 1.00 0.00 C ATOM 1576 CG GLU A 120 13.946 -8.748 -1.010 1.00 0.00 C ATOM 1577 CD GLU A 120 13.918 -10.177 -1.481 1.00 0.00 C ATOM 1578 OE1 GLU A 120 13.774 -10.426 -2.688 1.00 0.00 O ATOM 1579 OE2 GLU A 120 14.022 -11.096 -0.636 1.00 0.00 O ATOM 0 H GLU A 120 11.674 -6.651 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 120 11.342 -9.549 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.820 -7.372 0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 120 12.700 -9.039 0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 120 14.002 -8.083 -1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.846 -8.579 -0.418 1.00 0.00 H new ATOM 1586 N CYS A 121 9.783 -9.270 0.706 1.00 0.00 N ATOM 1587 CA CYS A 121 8.622 -9.092 1.550 1.00 0.00 C ATOM 1588 C CYS A 121 8.897 -9.619 2.939 1.00 0.00 C ATOM 1589 O CYS A 121 9.701 -10.534 3.111 1.00 0.00 O ATOM 1590 CB CYS A 121 7.394 -9.779 0.929 1.00 0.00 C ATOM 1591 SG CYS A 121 6.941 -9.156 -0.736 1.00 0.00 S ATOM 0 H CYS A 121 10.183 -10.208 0.714 1.00 0.00 H new ATOM 0 HA CYS A 121 8.406 -8.027 1.629 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.586 -10.850 0.863 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.543 -9.648 1.597 1.00 0.00 H new ATOM 1596 N ILE A 122 8.272 -9.016 3.934 1.00 0.00 N ATOM 1597 CA ILE A 122 8.499 -9.406 5.303 1.00 0.00 C ATOM 1598 C ILE A 122 7.611 -10.611 5.651 1.00 0.00 C ATOM 1599 O ILE A 122 6.395 -10.598 5.390 1.00 0.00 O ATOM 1600 CB ILE A 122 8.276 -8.196 6.291 1.00 0.00 C ATOM 1601 CG1 ILE A 122 8.702 -8.541 7.720 1.00 0.00 C ATOM 1602 CG2 ILE A 122 6.846 -7.661 6.264 1.00 0.00 C ATOM 1603 CD1 ILE A 122 10.196 -8.757 7.871 1.00 0.00 C ATOM 0 H ILE A 122 7.604 -8.255 3.814 1.00 0.00 H new ATOM 0 HA ILE A 122 9.540 -9.707 5.418 1.00 0.00 H new ATOM 0 HB ILE A 122 8.921 -7.395 5.929 1.00 0.00 H new ATOM 0 HG12 ILE A 122 8.390 -7.738 8.388 1.00 0.00 H new ATOM 0 HG13 ILE A 122 8.179 -9.442 8.039 1.00 0.00 H new ATOM 0 HG21 ILE A 122 6.755 -6.830 6.964 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.605 -7.316 5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 122 6.155 -8.454 6.550 1.00 0.00 H new ATOM 0 HD11 ILE A 122 10.426 -8.998 8.909 1.00 0.00 H new ATOM 0 HD12 ILE A 122 10.511 -9.580 7.229 1.00 0.00 H new ATOM 0 HD13 ILE A 122 10.726 -7.849 7.583 1.00 0.00 H new ATOM 1615 N ASN A 123 8.215 -11.653 6.181 1.00 0.00 N ATOM 1616 CA ASN A 123 7.481 -12.864 6.512 1.00 0.00 C ATOM 1617 C ASN A 123 6.833 -12.710 7.845 1.00 0.00 C ATOM 1618 O ASN A 123 7.499 -12.739 8.880 1.00 0.00 O ATOM 1619 CB ASN A 123 8.380 -14.114 6.517 1.00 0.00 C ATOM 1620 CG ASN A 123 8.995 -14.410 5.175 1.00 0.00 C ATOM 1621 OD1 ASN A 123 8.418 -14.112 4.143 1.00 0.00 O ATOM 1622 ND2 ASN A 123 10.159 -15.002 5.177 1.00 0.00 N ATOM 0 H ASN A 123 9.212 -11.690 6.393 1.00 0.00 H new ATOM 0 HA ASN A 123 6.726 -13.007 5.739 1.00 0.00 H new ATOM 0 HB2 ASN A 123 9.174 -13.979 7.251 1.00 0.00 H new ATOM 0 HB3 ASN A 123 7.793 -14.974 6.838 1.00 0.00 H new ATOM 0 HD21 ASN A 123 10.616 -15.231 4.294 1.00 0.00 H new ATOM 0 HD22 ASN A 123 10.611 -15.236 6.061 1.00 0.00 H new ATOM 1629 N GLN A 124 5.563 -12.512 7.814 1.00 0.00 N ATOM 1630 CA GLN A 124 4.769 -12.354 8.985 1.00 0.00 C ATOM 1631 C GLN A 124 3.779 -13.486 9.015 1.00 0.00 C ATOM 1632 O GLN A 124 3.973 -14.430 9.800 1.00 0.00 O ATOM 1633 CB GLN A 124 4.053 -10.998 8.975 1.00 0.00 C ATOM 1634 CG GLN A 124 4.988 -9.786 9.000 1.00 0.00 C ATOM 1635 CD GLN A 124 5.803 -9.687 10.282 1.00 0.00 C ATOM 1636 OE1 GLN A 124 6.903 -10.221 10.382 1.00 0.00 O ATOM 1637 NE2 GLN A 124 5.280 -8.999 11.259 1.00 0.00 N ATOM 1638 OXT GLN A 124 2.854 -13.493 8.173 1.00 0.00 O ATOM 0 H GLN A 124 5.029 -12.453 6.947 1.00 0.00 H new ATOM 0 HA GLN A 124 5.395 -12.377 9.877 1.00 0.00 H new ATOM 0 HB2 GLN A 124 3.426 -10.939 8.085 1.00 0.00 H new ATOM 0 HB3 GLN A 124 3.388 -10.946 9.837 1.00 0.00 H new ATOM 0 HG2 GLN A 124 5.666 -9.840 8.149 1.00 0.00 H new ATOM 0 HG3 GLN A 124 4.398 -8.877 8.880 1.00 0.00 H new ATOM 0 HE21 GLN A 124 4.363 -8.567 11.145 1.00 0.00 H new ATOM 0 HE22 GLN A 124 5.788 -8.893 12.137 1.00 0.00 H new TER 1647 GLN A 124