USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 640 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 2 THR OG1 : rot -20:sc= 1.09 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -166:sc= -0.0829 (180deg=-0.344) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00611) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -1.29 X(o=-1.3,f=-1.7) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -149:sc= -1.1 USER MOD Single : A 48 HIS : no HD1:sc= -0.0985 X(o=-0.098,f=-0.55) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 155:sc= -0.0192 (180deg=-0.625) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.518 X(o=-0.52,f=-0.31) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= 0.102 (180deg=-0.114) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -158:sc= -0.0286 (180deg=-0.384) USER MOD Single : A 72 ASN : amide:sc= -0.0964 X(o=-0.096,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.0624 X(o=-0.062,f=0) USER MOD Single : A 86 ASN : amide:sc= -5.41 K(o=-5.4,f=-3.8) USER MOD Single : A 87 ASN : amide:sc= -0.442 K(o=-0.44,f=-4.8!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 4.279 -0.875 -1.455 1.00 11.01 N ATOM 19 CA THR A 2 5.319 -1.862 -1.718 1.00 14.20 C ATOM 20 C THR A 2 6.707 -1.265 -1.516 1.00 73.01 C ATOM 21 O THR A 2 7.716 -1.900 -1.822 1.00 41.12 O ATOM 22 CB THR A 2 5.215 -2.419 -3.150 1.00 50.34 C ATOM 23 OG1 THR A 2 6.249 -3.383 -3.377 1.00 70.01 O ATOM 24 CG2 THR A 2 5.324 -1.300 -4.175 1.00 45.13 C ATOM 0 HA THR A 2 5.170 -2.676 -1.008 1.00 14.20 H new ATOM 0 HB THR A 2 4.242 -2.898 -3.260 1.00 50.34 H new ATOM 0 HG1 THR A 2 6.969 -3.250 -2.725 1.00 70.01 H new ATOM 0 HG21 THR A 2 5.248 -1.718 -5.179 1.00 45.13 H new ATOM 0 HG22 THR A 2 4.518 -0.583 -4.018 1.00 45.13 H new ATOM 0 HG23 THR A 2 6.284 -0.797 -4.063 1.00 45.13 H new ATOM 32 N ARG A 3 6.750 -0.042 -0.999 1.00 3.33 N ATOM 33 CA ARG A 3 8.016 0.641 -0.756 1.00 74.25 C ATOM 34 C ARG A 3 8.325 0.698 0.737 1.00 64.14 C ATOM 35 O ARG A 3 7.421 0.813 1.564 1.00 24.33 O ATOM 36 CB ARG A 3 7.975 2.057 -1.334 1.00 73.32 C ATOM 37 CG ARG A 3 6.712 2.824 -0.977 1.00 3.02 C ATOM 38 CD ARG A 3 5.645 2.672 -2.050 1.00 4.22 C ATOM 39 NE ARG A 3 4.818 3.869 -2.172 1.00 41.43 N ATOM 40 CZ ARG A 3 5.241 5.002 -2.723 1.00 70.32 C ATOM 41 NH1 ARG A 3 6.475 5.090 -3.200 1.00 52.43 N ATOM 42 NH2 ARG A 3 4.429 6.048 -2.798 1.00 53.33 N ATOM 0 H ARG A 3 5.923 0.497 -0.740 1.00 3.33 H new ATOM 0 HA ARG A 3 8.806 0.076 -1.252 1.00 74.25 H new ATOM 0 HB2 ARG A 3 8.841 2.612 -0.974 1.00 73.32 H new ATOM 0 HB3 ARG A 3 8.061 2.000 -2.419 1.00 73.32 H new ATOM 0 HG2 ARG A 3 6.324 2.465 -0.024 1.00 3.02 H new ATOM 0 HG3 ARG A 3 6.951 3.880 -0.847 1.00 3.02 H new ATOM 0 HD2 ARG A 3 6.121 2.461 -3.008 1.00 4.22 H new ATOM 0 HD3 ARG A 3 5.012 1.817 -1.813 1.00 4.22 H new ATOM 0 HE ARG A 3 3.863 3.834 -1.815 1.00 41.43 H new ATOM 0 HH11 ARG A 3 7.102 4.287 -3.144 1.00 52.43 H new ATOM 0 HH12 ARG A 3 6.798 5.961 -3.623 1.00 52.43 H new ATOM 0 HH21 ARG A 3 3.479 5.983 -2.433 1.00 53.33 H new ATOM 0 HH22 ARG A 3 4.755 6.917 -3.221 1.00 53.33 H new ATOM 56 N ASP A 4 9.608 0.616 1.073 1.00 50.42 N ATOM 57 CA ASP A 4 10.037 0.659 2.466 1.00 45.33 C ATOM 58 C ASP A 4 9.631 1.976 3.119 1.00 2.53 C ATOM 59 O ASP A 4 9.162 2.896 2.448 1.00 23.01 O ATOM 60 CB ASP A 4 11.553 0.475 2.560 1.00 32.24 C ATOM 61 CG ASP A 4 11.955 -0.985 2.635 1.00 72.14 C ATOM 62 OD1 ASP A 4 11.083 -1.853 2.415 1.00 4.34 O ATOM 63 OD2 ASP A 4 13.141 -1.260 2.911 1.00 70.11 O ATOM 0 H ASP A 4 10.368 0.519 0.400 1.00 50.42 H new ATOM 0 HA ASP A 4 9.546 -0.156 2.998 1.00 45.33 H new ATOM 0 HB2 ASP A 4 12.026 0.935 1.693 1.00 32.24 H new ATOM 0 HB3 ASP A 4 11.926 0.997 3.441 1.00 32.24 H new ATOM 68 N PHE A 5 9.813 2.060 4.433 1.00 2.11 N ATOM 69 CA PHE A 5 9.464 3.264 5.178 1.00 34.12 C ATOM 70 C PHE A 5 10.700 3.880 5.827 1.00 54.10 C ATOM 71 O PHE A 5 11.810 3.366 5.689 1.00 73.24 O ATOM 72 CB PHE A 5 8.419 2.941 6.249 1.00 50.43 C ATOM 73 CG PHE A 5 7.004 3.132 5.782 1.00 1.43 C ATOM 74 CD1 PHE A 5 6.318 2.098 5.168 1.00 74.24 C ATOM 75 CD2 PHE A 5 6.361 4.347 5.958 1.00 32.01 C ATOM 76 CE1 PHE A 5 5.015 2.270 4.738 1.00 43.14 C ATOM 77 CE2 PHE A 5 5.059 4.525 5.531 1.00 74.04 C ATOM 78 CZ PHE A 5 4.385 3.486 4.918 1.00 24.25 C ATOM 0 H PHE A 5 10.200 1.308 5.004 1.00 2.11 H new ATOM 0 HA PHE A 5 9.045 3.986 4.477 1.00 34.12 H new ATOM 0 HB2 PHE A 5 8.550 1.909 6.574 1.00 50.43 H new ATOM 0 HB3 PHE A 5 8.595 3.573 7.119 1.00 50.43 H new ATOM 0 HD1 PHE A 5 6.806 1.146 5.023 1.00 74.24 H new ATOM 0 HD2 PHE A 5 6.883 5.164 6.434 1.00 32.01 H new ATOM 0 HE1 PHE A 5 4.491 1.455 4.262 1.00 43.14 H new ATOM 0 HE2 PHE A 5 4.568 5.476 5.676 1.00 74.04 H new ATOM 0 HZ PHE A 5 3.368 3.624 4.581 1.00 24.25 H new ATOM 88 N LYS A 6 10.499 4.986 6.536 1.00 43.15 N ATOM 89 CA LYS A 6 11.595 5.674 7.207 1.00 4.03 C ATOM 90 C LYS A 6 11.573 5.398 8.707 1.00 11.33 C ATOM 91 O LYS A 6 10.558 4.991 9.273 1.00 50.02 O ATOM 92 CB LYS A 6 11.511 7.181 6.954 1.00 72.14 C ATOM 93 CG LYS A 6 12.231 7.627 5.693 1.00 74.23 C ATOM 94 CD LYS A 6 12.128 9.130 5.494 1.00 23.31 C ATOM 95 CE LYS A 6 12.798 9.568 4.200 1.00 34.24 C ATOM 96 NZ LYS A 6 11.962 9.253 3.009 1.00 33.40 N ATOM 0 H LYS A 6 9.587 5.425 6.661 1.00 43.15 H new ATOM 0 HA LYS A 6 12.532 5.295 6.799 1.00 4.03 H new ATOM 0 HB2 LYS A 6 10.463 7.472 6.886 1.00 72.14 H new ATOM 0 HB3 LYS A 6 11.933 7.709 7.809 1.00 72.14 H new ATOM 0 HG2 LYS A 6 13.280 7.338 5.750 1.00 74.23 H new ATOM 0 HG3 LYS A 6 11.806 7.115 4.830 1.00 74.23 H new ATOM 0 HD2 LYS A 6 11.079 9.425 5.480 1.00 23.31 H new ATOM 0 HD3 LYS A 6 12.592 9.642 6.337 1.00 23.31 H new ATOM 0 HE2 LYS A 6 12.990 10.640 4.235 1.00 34.24 H new ATOM 0 HE3 LYS A 6 13.765 9.074 4.106 1.00 34.24 H new ATOM 0 HZ1 LYS A 6 12.453 9.567 2.147 1.00 33.40 H new ATOM 0 HZ2 LYS A 6 11.799 8.227 2.961 1.00 33.40 H new ATOM 0 HZ3 LYS A 6 11.049 9.745 3.086 1.00 33.40 H new ATOM 110 N PRO A 7 12.717 5.626 9.369 1.00 42.10 N ATOM 111 CA PRO A 7 12.853 5.411 10.813 1.00 63.34 C ATOM 112 C PRO A 7 12.065 6.430 11.628 1.00 73.03 C ATOM 113 O PRO A 7 12.191 7.636 11.421 1.00 52.13 O ATOM 114 CB PRO A 7 14.355 5.578 11.056 1.00 22.12 C ATOM 115 CG PRO A 7 14.824 6.454 9.946 1.00 71.42 C ATOM 116 CD PRO A 7 13.966 6.112 8.759 1.00 62.02 C ATOM 0 HA PRO A 7 12.463 4.440 11.119 1.00 63.34 H new ATOM 0 HB2 PRO A 7 14.551 6.031 12.028 1.00 22.12 H new ATOM 0 HB3 PRO A 7 14.867 4.616 11.044 1.00 22.12 H new ATOM 0 HG2 PRO A 7 14.723 7.507 10.210 1.00 71.42 H new ATOM 0 HG3 PRO A 7 15.878 6.279 9.729 1.00 71.42 H new ATOM 0 HD2 PRO A 7 13.792 6.982 8.125 1.00 62.02 H new ATOM 0 HD3 PRO A 7 14.431 5.350 8.134 1.00 62.02 H new ATOM 124 N GLY A 8 11.251 5.937 12.556 1.00 33.41 N ATOM 125 CA GLY A 8 10.454 6.819 13.389 1.00 72.34 C ATOM 126 C GLY A 8 9.157 7.232 12.721 1.00 64.14 C ATOM 127 O GLY A 8 8.526 8.207 13.126 1.00 14.44 O ATOM 0 H GLY A 8 11.129 4.942 12.746 1.00 33.41 H new ATOM 0 HA2 GLY A 8 10.231 6.320 14.332 1.00 72.34 H new ATOM 0 HA3 GLY A 8 11.035 7.709 13.630 1.00 72.34 H new ATOM 131 N ASP A 9 8.761 6.490 11.693 1.00 72.33 N ATOM 132 CA ASP A 9 7.531 6.785 10.966 1.00 22.51 C ATOM 133 C ASP A 9 6.335 6.103 11.623 1.00 20.11 C ATOM 134 O ASP A 9 6.414 4.942 12.029 1.00 54.53 O ATOM 135 CB ASP A 9 7.654 6.334 9.510 1.00 51.34 C ATOM 136 CG ASP A 9 8.197 7.427 8.610 1.00 61.13 C ATOM 137 OD1 ASP A 9 9.060 8.202 9.073 1.00 54.04 O ATOM 138 OD2 ASP A 9 7.759 7.507 7.443 1.00 40.42 O ATOM 0 H ASP A 9 9.273 5.680 11.344 1.00 72.33 H new ATOM 0 HA ASP A 9 7.372 7.863 10.992 1.00 22.51 H new ATOM 0 HB2 ASP A 9 8.309 5.464 9.456 1.00 51.34 H new ATOM 0 HB3 ASP A 9 6.676 6.020 9.146 1.00 51.34 H new ATOM 143 N LEU A 10 5.229 6.831 11.726 1.00 12.21 N ATOM 144 CA LEU A 10 4.015 6.298 12.335 1.00 24.51 C ATOM 145 C LEU A 10 3.230 5.454 11.336 1.00 51.53 C ATOM 146 O LEU A 10 2.632 5.983 10.398 1.00 62.13 O ATOM 147 CB LEU A 10 3.139 7.438 12.858 1.00 64.45 C ATOM 148 CG LEU A 10 3.769 8.333 13.925 1.00 21.45 C ATOM 149 CD1 LEU A 10 4.504 7.494 14.959 1.00 23.22 C ATOM 150 CD2 LEU A 10 4.712 9.342 13.287 1.00 12.30 C ATOM 0 H LEU A 10 5.147 7.793 11.396 1.00 12.21 H new ATOM 0 HA LEU A 10 4.307 5.661 13.170 1.00 24.51 H new ATOM 0 HB2 LEU A 10 2.848 8.063 12.014 1.00 64.45 H new ATOM 0 HB3 LEU A 10 2.224 7.009 13.266 1.00 64.45 H new ATOM 0 HG LEU A 10 2.972 8.879 14.430 1.00 21.45 H new ATOM 0 HD11 LEU A 10 4.946 8.148 15.711 1.00 23.22 H new ATOM 0 HD12 LEU A 10 3.803 6.812 15.439 1.00 23.22 H new ATOM 0 HD13 LEU A 10 5.291 6.920 14.469 1.00 23.22 H new ATOM 0 HD21 LEU A 10 5.151 9.970 14.062 1.00 12.30 H new ATOM 0 HD22 LEU A 10 5.504 8.814 12.756 1.00 12.30 H new ATOM 0 HD23 LEU A 10 4.157 9.965 12.586 1.00 12.30 H new ATOM 162 N ILE A 11 3.234 4.142 11.544 1.00 10.33 N ATOM 163 CA ILE A 11 2.519 3.227 10.664 1.00 61.05 C ATOM 164 C ILE A 11 1.935 2.055 11.445 1.00 10.34 C ATOM 165 O ILE A 11 2.566 1.531 12.363 1.00 24.01 O ATOM 166 CB ILE A 11 3.437 2.682 9.553 1.00 11.02 C ATOM 167 CG1 ILE A 11 4.644 1.968 10.164 1.00 4.22 C ATOM 168 CG2 ILE A 11 3.889 3.810 8.638 1.00 12.43 C ATOM 169 CD1 ILE A 11 4.417 0.492 10.402 1.00 32.23 C ATOM 0 H ILE A 11 3.725 3.689 12.315 1.00 10.33 H new ATOM 0 HA ILE A 11 1.709 3.796 10.209 1.00 61.05 H new ATOM 0 HB ILE A 11 2.875 1.962 8.958 1.00 11.02 H new ATOM 0 HG12 ILE A 11 5.502 2.093 9.504 1.00 4.22 H new ATOM 0 HG13 ILE A 11 4.897 2.445 11.111 1.00 4.22 H new ATOM 0 HG21 ILE A 11 4.537 3.409 7.859 1.00 12.43 H new ATOM 0 HG22 ILE A 11 3.018 4.279 8.180 1.00 12.43 H new ATOM 0 HG23 ILE A 11 4.437 4.552 9.219 1.00 12.43 H new ATOM 0 HD11 ILE A 11 5.314 0.051 10.836 1.00 32.23 H new ATOM 0 HD12 ILE A 11 3.579 0.358 11.086 1.00 32.23 H new ATOM 0 HD13 ILE A 11 4.194 0.001 9.455 1.00 32.23 H new ATOM 181 N PHE A 12 0.726 1.648 11.075 1.00 74.13 N ATOM 182 CA PHE A 12 0.056 0.537 11.741 1.00 73.14 C ATOM 183 C PHE A 12 0.552 -0.801 11.199 1.00 11.43 C ATOM 184 O PHE A 12 0.331 -1.131 10.035 1.00 61.52 O ATOM 185 CB PHE A 12 -1.460 0.644 11.557 1.00 24.42 C ATOM 186 CG PHE A 12 -2.140 1.432 12.639 1.00 14.12 C ATOM 187 CD1 PHE A 12 -1.725 2.719 12.942 1.00 34.13 C ATOM 188 CD2 PHE A 12 -3.196 0.887 13.353 1.00 65.13 C ATOM 189 CE1 PHE A 12 -2.350 3.446 13.938 1.00 3.30 C ATOM 190 CE2 PHE A 12 -3.824 1.610 14.349 1.00 20.33 C ATOM 191 CZ PHE A 12 -3.401 2.892 14.642 1.00 60.55 C ATOM 0 H PHE A 12 0.190 2.071 10.317 1.00 74.13 H new ATOM 0 HA PHE A 12 0.291 0.588 12.804 1.00 73.14 H new ATOM 0 HB2 PHE A 12 -1.669 1.109 10.594 1.00 24.42 H new ATOM 0 HB3 PHE A 12 -1.886 -0.359 11.526 1.00 24.42 H new ATOM 0 HD1 PHE A 12 -0.905 3.159 12.394 1.00 34.13 H new ATOM 0 HD2 PHE A 12 -3.532 -0.115 13.128 1.00 65.13 H new ATOM 0 HE1 PHE A 12 -2.016 4.448 14.166 1.00 3.30 H new ATOM 0 HE2 PHE A 12 -4.645 1.173 14.898 1.00 20.33 H new ATOM 0 HZ PHE A 12 -3.891 3.459 15.419 1.00 60.55 H new ATOM 201 N ALA A 13 1.224 -1.565 12.054 1.00 63.14 N ATOM 202 CA ALA A 13 1.751 -2.867 11.663 1.00 51.23 C ATOM 203 C ALA A 13 0.657 -3.929 11.679 1.00 71.00 C ATOM 204 O ALA A 13 -0.141 -3.999 12.614 1.00 70.40 O ATOM 205 CB ALA A 13 2.895 -3.271 12.581 1.00 40.42 C ATOM 0 H ALA A 13 1.416 -1.305 13.021 1.00 63.14 H new ATOM 0 HA ALA A 13 2.129 -2.787 10.644 1.00 51.23 H new ATOM 0 HB1 ALA A 13 3.279 -4.245 12.277 1.00 40.42 H new ATOM 0 HB2 ALA A 13 3.692 -2.531 12.516 1.00 40.42 H new ATOM 0 HB3 ALA A 13 2.535 -3.327 13.608 1.00 40.42 H new ATOM 211 N LYS A 14 0.624 -4.754 10.638 1.00 24.10 N ATOM 212 CA LYS A 14 -0.371 -5.814 10.532 1.00 13.00 C ATOM 213 C LYS A 14 0.268 -7.184 10.735 1.00 3.21 C ATOM 214 O LYS A 14 0.964 -7.691 9.855 1.00 14.24 O ATOM 215 CB LYS A 14 -1.061 -5.759 9.167 1.00 15.12 C ATOM 216 CG LYS A 14 -2.108 -6.842 8.971 1.00 62.25 C ATOM 217 CD LYS A 14 -3.465 -6.409 9.500 1.00 62.43 C ATOM 218 CE LYS A 14 -4.504 -7.508 9.334 1.00 3.14 C ATOM 219 NZ LYS A 14 -4.541 -8.031 7.941 1.00 51.24 N ATOM 0 H LYS A 14 1.276 -4.709 9.855 1.00 24.10 H new ATOM 0 HA LYS A 14 -1.114 -5.660 11.315 1.00 13.00 H new ATOM 0 HB2 LYS A 14 -1.532 -4.784 9.046 1.00 15.12 H new ATOM 0 HB3 LYS A 14 -0.307 -5.848 8.384 1.00 15.12 H new ATOM 0 HG2 LYS A 14 -2.190 -7.083 7.911 1.00 62.25 H new ATOM 0 HG3 LYS A 14 -1.791 -7.752 9.481 1.00 62.25 H new ATOM 0 HD2 LYS A 14 -3.379 -6.145 10.554 1.00 62.43 H new ATOM 0 HD3 LYS A 14 -3.794 -5.513 8.973 1.00 62.43 H new ATOM 0 HE2 LYS A 14 -4.283 -8.324 10.022 1.00 3.14 H new ATOM 0 HE3 LYS A 14 -5.487 -7.122 9.603 1.00 3.14 H new ATOM 0 HZ1 LYS A 14 -5.403 -8.596 7.805 1.00 51.24 H new ATOM 0 HZ2 LYS A 14 -4.540 -7.235 7.271 1.00 51.24 H new ATOM 0 HZ3 LYS A 14 -3.706 -8.627 7.772 1.00 51.24 H new ATOM 233 N MET A 15 0.027 -7.778 11.899 1.00 1.33 N ATOM 234 CA MET A 15 0.578 -9.090 12.216 1.00 71.44 C ATOM 235 C MET A 15 -0.323 -10.201 11.683 1.00 3.45 C ATOM 236 O MET A 15 -1.546 -10.134 11.805 1.00 11.23 O ATOM 237 CB MET A 15 0.755 -9.242 13.728 1.00 72.03 C ATOM 238 CG MET A 15 2.141 -8.859 14.219 1.00 43.42 C ATOM 239 SD MET A 15 2.314 -9.019 16.006 1.00 20.14 S ATOM 240 CE MET A 15 2.819 -10.732 16.145 1.00 3.23 C ATOM 0 H MET A 15 -0.546 -7.371 12.638 1.00 1.33 H new ATOM 0 HA MET A 15 1.552 -9.173 11.734 1.00 71.44 H new ATOM 0 HB2 MET A 15 0.015 -8.624 14.236 1.00 72.03 H new ATOM 0 HB3 MET A 15 0.552 -10.276 14.007 1.00 72.03 H new ATOM 0 HG2 MET A 15 2.883 -9.489 13.728 1.00 43.42 H new ATOM 0 HG3 MET A 15 2.354 -7.830 13.928 1.00 43.42 H new ATOM 0 HE1 MET A 15 2.966 -10.984 17.195 1.00 3.23 H new ATOM 0 HE2 MET A 15 2.046 -11.375 15.723 1.00 3.23 H new ATOM 0 HE3 MET A 15 3.752 -10.881 15.602 1.00 3.23 H new ATOM 250 N LYS A 16 0.290 -11.221 11.093 1.00 53.04 N ATOM 251 CA LYS A 16 -0.456 -12.347 10.542 1.00 1.32 C ATOM 252 C LYS A 16 -1.406 -12.930 11.583 1.00 74.54 C ATOM 253 O LYS A 16 -0.974 -13.542 12.559 1.00 51.23 O ATOM 254 CB LYS A 16 0.506 -13.430 10.050 1.00 61.22 C ATOM 255 CG LYS A 16 -0.194 -14.650 9.476 1.00 41.11 C ATOM 256 CD LYS A 16 -0.824 -14.348 8.126 1.00 3.15 C ATOM 257 CE LYS A 16 -1.495 -15.579 7.537 1.00 54.31 C ATOM 258 NZ LYS A 16 -0.501 -16.560 7.022 1.00 61.20 N ATOM 0 H LYS A 16 1.302 -11.292 10.984 1.00 53.04 H new ATOM 0 HA LYS A 16 -1.046 -11.984 9.700 1.00 1.32 H new ATOM 0 HB2 LYS A 16 1.160 -13.005 9.289 1.00 61.22 H new ATOM 0 HB3 LYS A 16 1.142 -13.743 10.878 1.00 61.22 H new ATOM 0 HG2 LYS A 16 0.522 -15.465 9.370 1.00 41.11 H new ATOM 0 HG3 LYS A 16 -0.963 -14.989 10.170 1.00 41.11 H new ATOM 0 HD2 LYS A 16 -1.558 -13.550 8.236 1.00 3.15 H new ATOM 0 HD3 LYS A 16 -0.059 -13.985 7.439 1.00 3.15 H new ATOM 0 HE2 LYS A 16 -2.114 -16.055 8.298 1.00 54.31 H new ATOM 0 HE3 LYS A 16 -2.160 -15.278 6.728 1.00 54.31 H new ATOM 0 HZ1 LYS A 16 -0.999 -17.369 6.598 1.00 61.20 H new ATOM 0 HZ2 LYS A 16 0.095 -16.105 6.302 1.00 61.20 H new ATOM 0 HZ3 LYS A 16 0.096 -16.893 7.806 1.00 61.20 H new ATOM 272 N GLY A 17 -2.704 -12.739 11.366 1.00 53.31 N ATOM 273 CA GLY A 17 -3.695 -13.254 12.293 1.00 51.42 C ATOM 274 C GLY A 17 -4.025 -12.268 13.396 1.00 40.42 C ATOM 275 O GLY A 17 -4.494 -12.656 14.466 1.00 65.41 O ATOM 0 H GLY A 17 -3.087 -12.237 10.565 1.00 53.31 H new ATOM 0 HA2 GLY A 17 -4.605 -13.501 11.747 1.00 51.42 H new ATOM 0 HA3 GLY A 17 -3.327 -14.180 12.736 1.00 51.42 H new ATOM 279 N TYR A 18 -3.779 -10.988 13.136 1.00 21.34 N ATOM 280 CA TYR A 18 -4.049 -9.944 14.117 1.00 1.13 C ATOM 281 C TYR A 18 -4.441 -8.639 13.430 1.00 21.41 C ATOM 282 O TYR A 18 -4.033 -8.354 12.304 1.00 1.32 O ATOM 283 CB TYR A 18 -2.823 -9.718 15.004 1.00 61.14 C ATOM 284 CG TYR A 18 -2.253 -10.992 15.584 1.00 25.32 C ATOM 285 CD1 TYR A 18 -1.352 -11.765 14.862 1.00 25.41 C ATOM 286 CD2 TYR A 18 -2.615 -11.424 16.854 1.00 11.21 C ATOM 287 CE1 TYR A 18 -0.828 -12.931 15.388 1.00 12.32 C ATOM 288 CE2 TYR A 18 -2.096 -12.587 17.389 1.00 43.23 C ATOM 289 CZ TYR A 18 -1.203 -13.337 16.652 1.00 40.11 C ATOM 290 OH TYR A 18 -0.685 -14.497 17.180 1.00 5.13 O ATOM 0 H TYR A 18 -3.393 -10.649 12.255 1.00 21.34 H new ATOM 0 HA TYR A 18 -4.883 -10.272 14.738 1.00 1.13 H new ATOM 0 HB2 TYR A 18 -2.051 -9.217 14.421 1.00 61.14 H new ATOM 0 HB3 TYR A 18 -3.093 -9.047 15.819 1.00 61.14 H new ATOM 0 HD1 TYR A 18 -1.056 -11.449 13.873 1.00 25.41 H new ATOM 0 HD2 TYR A 18 -3.315 -10.840 17.433 1.00 11.21 H new ATOM 0 HE1 TYR A 18 -0.129 -13.521 14.813 1.00 12.32 H new ATOM 0 HE2 TYR A 18 -2.388 -12.907 18.378 1.00 43.23 H new ATOM 0 HH TYR A 18 -1.050 -14.639 18.078 1.00 5.13 H new ATOM 300 N PRO A 19 -5.252 -7.827 14.124 1.00 70.01 N ATOM 301 CA PRO A 19 -5.717 -6.538 13.602 1.00 61.50 C ATOM 302 C PRO A 19 -4.596 -5.508 13.518 1.00 23.41 C ATOM 303 O PRO A 19 -3.471 -5.763 13.951 1.00 72.33 O ATOM 304 CB PRO A 19 -6.770 -6.101 14.624 1.00 44.05 C ATOM 305 CG PRO A 19 -6.382 -6.791 15.886 1.00 52.22 C ATOM 306 CD PRO A 19 -5.777 -8.104 15.471 1.00 13.34 C ATOM 0 HA PRO A 19 -6.100 -6.624 12.585 1.00 61.50 H new ATOM 0 HB2 PRO A 19 -6.774 -5.018 14.750 1.00 44.05 H new ATOM 0 HB3 PRO A 19 -7.772 -6.389 14.307 1.00 44.05 H new ATOM 0 HG2 PRO A 19 -5.668 -6.194 16.453 1.00 52.22 H new ATOM 0 HG3 PRO A 19 -7.249 -6.946 16.528 1.00 52.22 H new ATOM 0 HD2 PRO A 19 -4.987 -8.416 16.154 1.00 13.34 H new ATOM 0 HD3 PRO A 19 -6.519 -8.902 15.457 1.00 13.34 H new ATOM 314 N HIS A 20 -4.909 -4.344 12.959 1.00 2.32 N ATOM 315 CA HIS A 20 -3.927 -3.274 12.820 1.00 60.12 C ATOM 316 C HIS A 20 -3.553 -2.699 14.183 1.00 54.45 C ATOM 317 O HIS A 20 -4.387 -2.624 15.085 1.00 52.20 O ATOM 318 CB HIS A 20 -4.473 -2.167 11.918 1.00 45.33 C ATOM 319 CG HIS A 20 -5.221 -2.679 10.726 1.00 60.20 C ATOM 320 ND1 HIS A 20 -4.602 -3.275 9.648 1.00 62.52 N ATOM 321 CD2 HIS A 20 -6.545 -2.684 10.447 1.00 15.40 C ATOM 322 CE1 HIS A 20 -5.513 -3.623 8.756 1.00 2.24 C ATOM 323 NE2 HIS A 20 -6.701 -3.275 9.218 1.00 63.25 N ATOM 0 H HIS A 20 -5.834 -4.117 12.595 1.00 2.32 H new ATOM 0 HA HIS A 20 -3.030 -3.694 12.365 1.00 60.12 H new ATOM 0 HB2 HIS A 20 -5.133 -1.526 12.503 1.00 45.33 H new ATOM 0 HB3 HIS A 20 -3.645 -1.546 11.577 1.00 45.33 H new ATOM 0 HD2 HIS A 20 -7.333 -2.295 11.075 1.00 15.40 H new ATOM 0 HE1 HIS A 20 -5.320 -4.109 7.811 1.00 2.24 H new ATOM 0 HE2 HIS A 20 -7.590 -3.422 8.739 1.00 63.25 H new ATOM 331 N TRP A 21 -2.296 -2.295 14.324 1.00 52.41 N ATOM 332 CA TRP A 21 -1.812 -1.727 15.577 1.00 15.32 C ATOM 333 C TRP A 21 -0.723 -0.691 15.321 1.00 21.40 C ATOM 334 O TRP A 21 0.162 -0.880 14.486 1.00 73.02 O ATOM 335 CB TRP A 21 -1.278 -2.832 16.489 1.00 34.24 C ATOM 336 CG TRP A 21 -0.642 -2.312 17.743 1.00 61.42 C ATOM 337 CD1 TRP A 21 0.640 -1.863 17.886 1.00 70.54 C ATOM 338 CD2 TRP A 21 -1.258 -2.190 19.029 1.00 2.15 C ATOM 339 NE1 TRP A 21 0.858 -1.469 19.184 1.00 61.32 N ATOM 340 CE2 TRP A 21 -0.291 -1.659 19.905 1.00 2.33 C ATOM 341 CE3 TRP A 21 -2.532 -2.475 19.527 1.00 72.25 C ATOM 342 CZ2 TRP A 21 -0.560 -1.409 21.248 1.00 32.53 C ATOM 343 CZ3 TRP A 21 -2.798 -2.228 20.860 1.00 40.52 C ATOM 344 CH2 TRP A 21 -1.816 -1.698 21.708 1.00 33.32 C ATOM 0 H TRP A 21 -1.593 -2.350 13.587 1.00 52.41 H new ATOM 0 HA TRP A 21 -2.649 -1.232 16.070 1.00 15.32 H new ATOM 0 HB2 TRP A 21 -2.097 -3.500 16.756 1.00 34.24 H new ATOM 0 HB3 TRP A 21 -0.548 -3.426 15.939 1.00 34.24 H new ATOM 0 HD1 TRP A 21 1.374 -1.824 17.095 1.00 70.54 H new ATOM 0 HE1 TRP A 21 1.733 -1.096 19.551 1.00 61.32 H new ATOM 0 HE3 TRP A 21 -3.296 -2.882 18.881 1.00 72.25 H new ATOM 0 HZ2 TRP A 21 0.196 -1.002 21.903 1.00 32.53 H new ATOM 0 HZ3 TRP A 21 -3.779 -2.447 21.255 1.00 40.52 H new ATOM 0 HH2 TRP A 21 -2.055 -1.514 22.745 1.00 33.32 H new ATOM 355 N PRO A 22 -0.786 0.429 16.055 1.00 5.43 N ATOM 356 CA PRO A 22 0.189 1.516 15.925 1.00 4.42 C ATOM 357 C PRO A 22 1.565 1.128 16.457 1.00 52.23 C ATOM 358 O PRO A 22 1.719 0.815 17.637 1.00 72.23 O ATOM 359 CB PRO A 22 -0.415 2.638 16.774 1.00 42.13 C ATOM 360 CG PRO A 22 -1.275 1.939 17.769 1.00 24.23 C ATOM 361 CD PRO A 22 -1.812 0.721 17.069 1.00 15.54 C ATOM 0 HA PRO A 22 0.354 1.792 14.884 1.00 4.42 H new ATOM 0 HB2 PRO A 22 0.361 3.225 17.265 1.00 42.13 H new ATOM 0 HB3 PRO A 22 -0.997 3.328 16.163 1.00 42.13 H new ATOM 0 HG2 PRO A 22 -0.701 1.660 18.653 1.00 24.23 H new ATOM 0 HG3 PRO A 22 -2.086 2.585 18.106 1.00 24.23 H new ATOM 0 HD2 PRO A 22 -1.944 -0.113 17.758 1.00 15.54 H new ATOM 0 HD3 PRO A 22 -2.783 0.915 16.614 1.00 15.54 H new ATOM 369 N ALA A 23 2.562 1.152 15.578 1.00 32.23 N ATOM 370 CA ALA A 23 3.925 0.805 15.960 1.00 30.34 C ATOM 371 C ALA A 23 4.923 1.822 15.417 1.00 22.43 C ATOM 372 O ALA A 23 4.537 2.826 14.820 1.00 41.24 O ATOM 373 CB ALA A 23 4.271 -0.593 15.468 1.00 5.31 C ATOM 0 H ALA A 23 2.451 1.408 14.597 1.00 32.23 H new ATOM 0 HA ALA A 23 3.987 0.821 17.048 1.00 30.34 H new ATOM 0 HB1 ALA A 23 5.292 -0.839 15.760 1.00 5.31 H new ATOM 0 HB2 ALA A 23 3.583 -1.315 15.909 1.00 5.31 H new ATOM 0 HB3 ALA A 23 4.186 -0.628 14.382 1.00 5.31 H new ATOM 379 N ARG A 24 6.208 1.555 15.630 1.00 74.43 N ATOM 380 CA ARG A 24 7.261 2.448 15.163 1.00 70.11 C ATOM 381 C ARG A 24 8.231 1.711 14.245 1.00 65.05 C ATOM 382 O ARG A 24 8.559 0.547 14.476 1.00 42.12 O ATOM 383 CB ARG A 24 8.019 3.042 16.351 1.00 13.55 C ATOM 384 CG ARG A 24 9.240 3.854 15.951 1.00 70.20 C ATOM 385 CD ARG A 24 10.500 3.002 15.955 1.00 40.55 C ATOM 386 NE ARG A 24 11.711 3.818 15.925 1.00 24.40 N ATOM 387 CZ ARG A 24 12.239 4.389 17.002 1.00 50.22 C ATOM 388 NH1 ARG A 24 11.665 4.235 18.187 1.00 53.01 N ATOM 389 NH2 ARG A 24 13.344 5.116 16.895 1.00 53.55 N ATOM 0 H ARG A 24 6.544 0.728 16.123 1.00 74.43 H new ATOM 0 HA ARG A 24 6.794 3.255 14.598 1.00 70.11 H new ATOM 0 HB2 ARG A 24 7.342 3.677 16.922 1.00 13.55 H new ATOM 0 HB3 ARG A 24 8.331 2.234 17.012 1.00 13.55 H new ATOM 0 HG2 ARG A 24 9.088 4.277 14.958 1.00 70.20 H new ATOM 0 HG3 ARG A 24 9.363 4.691 16.638 1.00 70.20 H new ATOM 0 HD2 ARG A 24 10.509 2.372 16.844 1.00 40.55 H new ATOM 0 HD3 ARG A 24 10.490 2.336 15.092 1.00 40.55 H new ATOM 0 HE ARG A 24 12.177 3.957 15.028 1.00 24.40 H new ATOM 0 HH11 ARG A 24 10.816 3.677 18.274 1.00 53.01 H new ATOM 0 HH12 ARG A 24 12.073 4.675 19.012 1.00 53.01 H new ATOM 0 HH21 ARG A 24 13.789 5.237 15.985 1.00 53.55 H new ATOM 0 HH22 ARG A 24 13.748 5.554 17.723 1.00 53.55 H new ATOM 403 N VAL A 25 8.687 2.397 13.201 1.00 24.12 N ATOM 404 CA VAL A 25 9.621 1.808 12.248 1.00 54.30 C ATOM 405 C VAL A 25 11.065 2.058 12.667 1.00 31.45 C ATOM 406 O VAL A 25 11.425 3.166 13.063 1.00 13.52 O ATOM 407 CB VAL A 25 9.405 2.371 10.831 1.00 52.24 C ATOM 408 CG1 VAL A 25 10.367 1.723 9.846 1.00 14.24 C ATOM 409 CG2 VAL A 25 7.963 2.169 10.391 1.00 34.42 C ATOM 0 H VAL A 25 8.425 3.361 12.994 1.00 24.12 H new ATOM 0 HA VAL A 25 9.429 0.735 12.239 1.00 54.30 H new ATOM 0 HB VAL A 25 9.608 3.442 10.850 1.00 52.24 H new ATOM 0 HG11 VAL A 25 10.199 2.133 8.850 1.00 14.24 H new ATOM 0 HG12 VAL A 25 11.393 1.924 10.154 1.00 14.24 H new ATOM 0 HG13 VAL A 25 10.199 0.646 9.828 1.00 14.24 H new ATOM 0 HG21 VAL A 25 7.829 2.573 9.388 1.00 34.42 H new ATOM 0 HG22 VAL A 25 7.729 1.104 10.388 1.00 34.42 H new ATOM 0 HG23 VAL A 25 7.296 2.685 11.082 1.00 34.42 H new ATOM 419 N ASP A 26 11.889 1.019 12.578 1.00 54.22 N ATOM 420 CA ASP A 26 13.296 1.125 12.947 1.00 54.35 C ATOM 421 C ASP A 26 14.178 1.213 11.705 1.00 74.10 C ATOM 422 O ASP A 26 13.754 0.859 10.605 1.00 12.13 O ATOM 423 CB ASP A 26 13.713 -0.073 13.800 1.00 32.23 C ATOM 424 CG ASP A 26 14.743 0.294 14.850 1.00 43.43 C ATOM 425 OD1 ASP A 26 14.629 1.392 15.435 1.00 74.45 O ATOM 426 OD2 ASP A 26 15.665 -0.515 15.086 1.00 40.13 O ATOM 0 H ASP A 26 11.607 0.094 12.254 1.00 54.22 H new ATOM 0 HA ASP A 26 13.426 2.038 13.529 1.00 54.35 H new ATOM 0 HB2 ASP A 26 12.833 -0.491 14.289 1.00 32.23 H new ATOM 0 HB3 ASP A 26 14.119 -0.852 13.154 1.00 32.23 H new ATOM 431 N GLU A 27 15.406 1.688 11.890 1.00 74.52 N ATOM 432 CA GLU A 27 16.346 1.823 10.784 1.00 51.14 C ATOM 433 C GLU A 27 17.012 0.487 10.469 1.00 61.21 C ATOM 434 O GLU A 27 16.985 -0.439 11.279 1.00 32.55 O ATOM 435 CB GLU A 27 17.411 2.871 11.116 1.00 73.43 C ATOM 436 CG GLU A 27 18.418 2.407 12.154 1.00 30.53 C ATOM 437 CD GLU A 27 19.111 3.561 12.851 1.00 4.01 C ATOM 438 OE1 GLU A 27 19.854 4.303 12.175 1.00 11.20 O ATOM 439 OE2 GLU A 27 18.911 3.722 14.073 1.00 11.23 O ATOM 0 H GLU A 27 15.772 1.985 12.794 1.00 74.52 H new ATOM 0 HA GLU A 27 15.789 2.147 9.905 1.00 51.14 H new ATOM 0 HB2 GLU A 27 17.941 3.140 10.202 1.00 73.43 H new ATOM 0 HB3 GLU A 27 16.920 3.774 11.477 1.00 73.43 H new ATOM 0 HG2 GLU A 27 17.911 1.791 12.896 1.00 30.53 H new ATOM 0 HG3 GLU A 27 19.166 1.776 11.673 1.00 30.53 H new ATOM 585 N ASN A 38 13.255 -9.609 3.181 1.00 52.32 N ATOM 586 CA ASN A 38 12.232 -8.908 2.413 1.00 13.13 C ATOM 587 C ASN A 38 11.241 -8.209 3.339 1.00 34.10 C ATOM 588 O ASN A 38 10.091 -7.968 2.969 1.00 45.15 O ATOM 589 CB ASN A 38 11.491 -9.886 1.499 1.00 12.14 C ATOM 590 CG ASN A 38 12.410 -10.940 0.914 1.00 24.55 C ATOM 591 OD1 ASN A 38 13.492 -10.629 0.415 1.00 75.13 O ATOM 592 ND2 ASN A 38 11.983 -12.197 0.974 1.00 4.52 N ATOM 0 HA ASN A 38 12.726 -8.153 1.801 1.00 13.13 H new ATOM 0 HB2 ASN A 38 10.695 -10.374 2.062 1.00 12.14 H new ATOM 0 HB3 ASN A 38 11.015 -9.333 0.689 1.00 12.14 H new ATOM 0 HD21 ASN A 38 12.559 -12.950 0.597 1.00 4.52 H new ATOM 0 HD22 ASN A 38 11.079 -12.409 1.397 1.00 4.52 H new ATOM 599 N LYS A 39 11.693 -7.885 4.546 1.00 64.54 N ATOM 600 CA LYS A 39 10.849 -7.212 5.525 1.00 33.52 C ATOM 601 C LYS A 39 11.632 -6.136 6.271 1.00 74.52 C ATOM 602 O LYS A 39 12.833 -5.967 6.056 1.00 33.34 O ATOM 603 CB LYS A 39 10.280 -8.226 6.521 1.00 73.25 C ATOM 604 CG LYS A 39 9.423 -9.300 5.872 1.00 13.34 C ATOM 605 CD LYS A 39 9.343 -10.547 6.737 1.00 53.31 C ATOM 606 CE LYS A 39 8.416 -11.588 6.129 1.00 55.11 C ATOM 607 NZ LYS A 39 8.008 -12.617 7.125 1.00 12.12 N ATOM 0 H LYS A 39 12.641 -8.078 4.869 1.00 64.54 H new ATOM 0 HA LYS A 39 10.027 -6.734 4.992 1.00 33.52 H new ATOM 0 HB2 LYS A 39 11.104 -8.702 7.053 1.00 73.25 H new ATOM 0 HB3 LYS A 39 9.684 -7.697 7.265 1.00 73.25 H new ATOM 0 HG2 LYS A 39 8.420 -8.911 5.699 1.00 13.34 H new ATOM 0 HG3 LYS A 39 9.837 -9.558 4.897 1.00 13.34 H new ATOM 0 HD2 LYS A 39 10.339 -10.972 6.858 1.00 53.31 H new ATOM 0 HD3 LYS A 39 8.988 -10.279 7.732 1.00 53.31 H new ATOM 0 HE2 LYS A 39 7.529 -11.096 5.731 1.00 55.11 H new ATOM 0 HE3 LYS A 39 8.915 -12.073 5.290 1.00 55.11 H new ATOM 0 HZ1 LYS A 39 7.377 -13.308 6.672 1.00 12.12 H new ATOM 0 HZ2 LYS A 39 8.853 -13.105 7.486 1.00 12.12 H new ATOM 0 HZ3 LYS A 39 7.509 -12.158 7.914 1.00 12.12 H new ATOM 621 N LEU A 40 10.945 -5.412 7.148 1.00 71.53 N ATOM 622 CA LEU A 40 11.577 -4.353 7.927 1.00 73.31 C ATOM 623 C LEU A 40 11.217 -4.475 9.404 1.00 33.31 C ATOM 624 O LEU A 40 10.217 -5.091 9.776 1.00 3.30 O ATOM 625 CB LEU A 40 11.152 -2.982 7.398 1.00 3.05 C ATOM 626 CG LEU A 40 9.721 -2.880 6.869 1.00 65.10 C ATOM 627 CD1 LEU A 40 9.175 -1.476 7.075 1.00 12.01 C ATOM 628 CD2 LEU A 40 9.669 -3.264 5.398 1.00 73.35 C ATOM 0 H LEU A 40 9.951 -5.539 7.337 1.00 71.53 H new ATOM 0 HA LEU A 40 12.657 -4.456 7.826 1.00 73.31 H new ATOM 0 HB2 LEU A 40 11.275 -2.252 8.198 1.00 3.05 H new ATOM 0 HB3 LEU A 40 11.835 -2.696 6.598 1.00 3.05 H new ATOM 0 HG LEU A 40 9.096 -3.576 7.428 1.00 65.10 H new ATOM 0 HD11 LEU A 40 8.156 -1.422 6.693 1.00 12.01 H new ATOM 0 HD12 LEU A 40 9.177 -1.237 8.139 1.00 12.01 H new ATOM 0 HD13 LEU A 40 9.801 -0.760 6.542 1.00 12.01 H new ATOM 0 HD21 LEU A 40 8.643 -3.186 5.038 1.00 73.35 H new ATOM 0 HD22 LEU A 40 10.307 -2.593 4.824 1.00 73.35 H new ATOM 0 HD23 LEU A 40 10.019 -4.289 5.277 1.00 73.35 H new ATOM 640 N PRO A 41 12.048 -3.874 10.268 1.00 42.22 N ATOM 641 CA PRO A 41 11.837 -3.899 11.718 1.00 13.41 C ATOM 642 C PRO A 41 10.634 -3.063 12.143 1.00 73.31 C ATOM 643 O PRO A 41 10.564 -1.868 11.856 1.00 2.22 O ATOM 644 CB PRO A 41 13.129 -3.297 12.275 1.00 1.24 C ATOM 645 CG PRO A 41 13.653 -2.440 11.175 1.00 2.12 C ATOM 646 CD PRO A 41 13.259 -3.123 9.895 1.00 55.42 C ATOM 0 HA PRO A 41 11.628 -4.905 12.082 1.00 13.41 H new ATOM 0 HB2 PRO A 41 12.938 -2.713 13.175 1.00 1.24 H new ATOM 0 HB3 PRO A 41 13.843 -4.074 12.546 1.00 1.24 H new ATOM 0 HG2 PRO A 41 13.231 -1.436 11.228 1.00 2.12 H new ATOM 0 HG3 PRO A 41 14.736 -2.335 11.244 1.00 2.12 H new ATOM 0 HD2 PRO A 41 13.057 -2.404 9.101 1.00 55.42 H new ATOM 0 HD3 PRO A 41 14.046 -3.784 9.533 1.00 55.42 H new ATOM 654 N ILE A 42 9.689 -3.700 12.827 1.00 4.24 N ATOM 655 CA ILE A 42 8.490 -3.014 13.293 1.00 43.04 C ATOM 656 C ILE A 42 8.350 -3.119 14.807 1.00 12.24 C ATOM 657 O ILE A 42 7.830 -4.107 15.327 1.00 43.14 O ATOM 658 CB ILE A 42 7.222 -3.585 12.630 1.00 5.31 C ATOM 659 CG1 ILE A 42 7.421 -3.704 11.118 1.00 73.04 C ATOM 660 CG2 ILE A 42 6.020 -2.708 12.945 1.00 51.55 C ATOM 661 CD1 ILE A 42 7.777 -2.394 10.450 1.00 73.44 C ATOM 0 H ILE A 42 9.731 -4.690 13.071 1.00 4.24 H new ATOM 0 HA ILE A 42 8.596 -1.966 13.013 1.00 43.04 H new ATOM 0 HB ILE A 42 7.035 -4.581 13.032 1.00 5.31 H new ATOM 0 HG12 ILE A 42 8.210 -4.430 10.920 1.00 73.04 H new ATOM 0 HG13 ILE A 42 6.508 -4.095 10.669 1.00 73.04 H new ATOM 0 HG21 ILE A 42 5.132 -3.124 12.470 1.00 51.55 H new ATOM 0 HG22 ILE A 42 5.870 -2.670 14.024 1.00 51.55 H new ATOM 0 HG23 ILE A 42 6.196 -1.701 12.567 1.00 51.55 H new ATOM 0 HD11 ILE A 42 7.903 -2.554 9.379 1.00 73.44 H new ATOM 0 HD12 ILE A 42 6.978 -1.671 10.617 1.00 73.44 H new ATOM 0 HD13 ILE A 42 8.707 -2.011 10.872 1.00 73.44 H new ATOM 673 N PHE A 43 8.815 -2.092 15.512 1.00 72.23 N ATOM 674 CA PHE A 43 8.740 -2.068 16.968 1.00 44.12 C ATOM 675 C PHE A 43 7.308 -1.825 17.435 1.00 4.43 C ATOM 676 O PHE A 43 6.779 -0.721 17.302 1.00 72.22 O ATOM 677 CB PHE A 43 9.663 -0.984 17.529 1.00 41.23 C ATOM 678 CG PHE A 43 9.797 -1.025 19.024 1.00 31.31 C ATOM 679 CD1 PHE A 43 10.219 -2.180 19.663 1.00 11.34 C ATOM 680 CD2 PHE A 43 9.500 0.090 19.791 1.00 40.24 C ATOM 681 CE1 PHE A 43 10.343 -2.221 21.039 1.00 25.24 C ATOM 682 CE2 PHE A 43 9.623 0.055 21.167 1.00 61.23 C ATOM 683 CZ PHE A 43 10.044 -1.103 21.792 1.00 1.40 C ATOM 0 H PHE A 43 9.247 -1.266 15.098 1.00 72.23 H new ATOM 0 HA PHE A 43 9.064 -3.040 17.340 1.00 44.12 H new ATOM 0 HB2 PHE A 43 10.651 -1.092 17.081 1.00 41.23 H new ATOM 0 HB3 PHE A 43 9.283 -0.006 17.233 1.00 41.23 H new ATOM 0 HD1 PHE A 43 10.454 -3.058 19.079 1.00 11.34 H new ATOM 0 HD2 PHE A 43 9.168 0.997 19.308 1.00 40.24 H new ATOM 0 HE1 PHE A 43 10.674 -3.127 21.525 1.00 25.24 H new ATOM 0 HE2 PHE A 43 9.390 0.932 21.753 1.00 61.23 H new ATOM 0 HZ PHE A 43 10.139 -1.134 22.867 1.00 1.40 H new ATOM 693 N PHE A 44 6.687 -2.863 17.984 1.00 71.45 N ATOM 694 CA PHE A 44 5.316 -2.764 18.470 1.00 74.43 C ATOM 695 C PHE A 44 5.251 -1.934 19.748 1.00 55.51 C ATOM 696 O PHE A 44 5.819 -2.307 20.774 1.00 2.11 O ATOM 697 CB PHE A 44 4.740 -4.159 18.725 1.00 65.12 C ATOM 698 CG PHE A 44 3.919 -4.687 17.583 1.00 10.34 C ATOM 699 CD1 PHE A 44 4.520 -5.365 16.535 1.00 2.22 C ATOM 700 CD2 PHE A 44 2.546 -4.505 17.559 1.00 74.02 C ATOM 701 CE1 PHE A 44 3.767 -5.850 15.483 1.00 34.54 C ATOM 702 CE2 PHE A 44 1.787 -4.989 16.510 1.00 53.12 C ATOM 703 CZ PHE A 44 2.398 -5.663 15.471 1.00 21.53 C ATOM 0 H PHE A 44 7.111 -3.783 18.104 1.00 71.45 H new ATOM 0 HA PHE A 44 4.721 -2.267 17.704 1.00 74.43 H new ATOM 0 HB2 PHE A 44 5.559 -4.851 18.924 1.00 65.12 H new ATOM 0 HB3 PHE A 44 4.123 -4.130 19.623 1.00 65.12 H new ATOM 0 HD1 PHE A 44 5.589 -5.516 16.540 1.00 2.22 H new ATOM 0 HD2 PHE A 44 2.063 -3.979 18.369 1.00 74.02 H new ATOM 0 HE1 PHE A 44 4.248 -6.375 14.671 1.00 34.54 H new ATOM 0 HE2 PHE A 44 0.717 -4.840 16.503 1.00 53.12 H new ATOM 0 HZ PHE A 44 1.807 -6.043 14.651 1.00 21.53 H new ATOM 713 N PHE A 45 4.554 -0.804 19.678 1.00 74.25 N ATOM 714 CA PHE A 45 4.415 0.081 20.828 1.00 53.43 C ATOM 715 C PHE A 45 3.359 -0.446 21.796 1.00 43.44 C ATOM 716 O PHE A 45 2.398 -1.097 21.389 1.00 64.41 O ATOM 717 CB PHE A 45 4.043 1.493 20.369 1.00 11.12 C ATOM 718 CG PHE A 45 2.885 2.082 21.123 1.00 52.44 C ATOM 719 CD1 PHE A 45 1.582 1.832 20.723 1.00 10.30 C ATOM 720 CD2 PHE A 45 3.099 2.887 22.230 1.00 42.10 C ATOM 721 CE1 PHE A 45 0.514 2.373 21.414 1.00 31.22 C ATOM 722 CE2 PHE A 45 2.035 3.430 22.925 1.00 23.03 C ATOM 723 CZ PHE A 45 0.741 3.174 22.516 1.00 22.43 C ATOM 0 H PHE A 45 4.077 -0.480 18.837 1.00 74.25 H new ATOM 0 HA PHE A 45 5.373 0.115 21.347 1.00 53.43 H new ATOM 0 HB2 PHE A 45 4.910 2.144 20.483 1.00 11.12 H new ATOM 0 HB3 PHE A 45 3.800 1.469 19.307 1.00 11.12 H new ATOM 0 HD1 PHE A 45 1.399 1.207 19.861 1.00 10.30 H new ATOM 0 HD2 PHE A 45 4.109 3.093 22.554 1.00 42.10 H new ATOM 0 HE1 PHE A 45 -0.497 2.170 21.093 1.00 31.22 H new ATOM 0 HE2 PHE A 45 2.215 4.054 23.788 1.00 23.03 H new ATOM 0 HZ PHE A 45 -0.092 3.599 23.057 1.00 22.43 H new ATOM 733 N GLY A 46 3.547 -0.158 23.080 1.00 32.33 N ATOM 734 CA GLY A 46 2.604 -0.611 24.087 1.00 44.12 C ATOM 735 C GLY A 46 2.962 -1.975 24.644 1.00 54.31 C ATOM 736 O GLY A 46 2.791 -2.231 25.836 1.00 24.33 O ATOM 0 H GLY A 46 4.334 0.380 23.441 1.00 32.33 H new ATOM 0 HA2 GLY A 46 2.570 0.113 24.901 1.00 44.12 H new ATOM 0 HA3 GLY A 46 1.605 -0.650 23.653 1.00 44.12 H new ATOM 740 N THR A 47 3.457 -2.854 23.779 1.00 25.31 N ATOM 741 CA THR A 47 3.837 -4.200 24.190 1.00 32.04 C ATOM 742 C THR A 47 5.341 -4.411 24.061 1.00 71.23 C ATOM 743 O THR A 47 5.858 -5.481 24.384 1.00 70.00 O ATOM 744 CB THR A 47 3.106 -5.269 23.357 1.00 70.34 C ATOM 745 OG1 THR A 47 3.558 -5.225 21.999 1.00 51.14 O ATOM 746 CG2 THR A 47 1.600 -5.056 23.403 1.00 45.24 C ATOM 0 H THR A 47 3.604 -2.658 22.789 1.00 25.31 H new ATOM 0 HA THR A 47 3.547 -4.304 25.236 1.00 32.04 H new ATOM 0 HB THR A 47 3.331 -6.247 23.783 1.00 70.34 H new ATOM 0 HG1 THR A 47 2.829 -5.496 21.403 1.00 51.14 H new ATOM 0 HG21 THR A 47 1.106 -5.823 22.807 1.00 45.24 H new ATOM 0 HG22 THR A 47 1.255 -5.119 24.435 1.00 45.24 H new ATOM 0 HG23 THR A 47 1.359 -4.072 23.000 1.00 45.24 H new ATOM 754 N HIS A 48 6.039 -3.384 23.586 1.00 22.43 N ATOM 755 CA HIS A 48 7.486 -3.458 23.415 1.00 11.42 C ATOM 756 C HIS A 48 7.877 -4.703 22.625 1.00 2.20 C ATOM 757 O HIS A 48 8.955 -5.262 22.825 1.00 34.31 O ATOM 758 CB HIS A 48 8.182 -3.464 24.777 1.00 40.35 C ATOM 759 CG HIS A 48 8.188 -2.127 25.452 1.00 43.10 C ATOM 760 ND1 HIS A 48 8.238 -0.935 24.761 1.00 51.32 N ATOM 761 CD2 HIS A 48 8.149 -1.798 26.764 1.00 1.13 C ATOM 762 CE1 HIS A 48 8.231 0.070 25.619 1.00 72.31 C ATOM 763 NE2 HIS A 48 8.177 -0.427 26.842 1.00 73.25 N ATOM 0 H HIS A 48 5.627 -2.492 23.313 1.00 22.43 H new ATOM 0 HA HIS A 48 7.806 -2.579 22.855 1.00 11.42 H new ATOM 0 HB2 HIS A 48 7.687 -4.187 25.425 1.00 40.35 H new ATOM 0 HB3 HIS A 48 9.210 -3.802 24.649 1.00 40.35 H new ATOM 0 HD2 HIS A 48 8.104 -2.486 27.595 1.00 1.13 H new ATOM 0 HE1 HIS A 48 8.264 1.119 25.364 1.00 72.31 H new ATOM 0 HE2 HIS A 48 8.159 0.119 27.704 1.00 73.25 H new ATOM 771 N GLU A 49 6.994 -5.131 21.728 1.00 0.52 N ATOM 772 CA GLU A 49 7.248 -6.310 20.910 1.00 73.52 C ATOM 773 C GLU A 49 7.925 -5.927 19.597 1.00 10.13 C ATOM 774 O GLU A 49 8.125 -4.746 19.310 1.00 61.23 O ATOM 775 CB GLU A 49 5.940 -7.051 20.624 1.00 33.11 C ATOM 776 CG GLU A 49 5.250 -7.573 21.874 1.00 63.14 C ATOM 777 CD GLU A 49 3.869 -8.130 21.588 1.00 21.23 C ATOM 778 OE1 GLU A 49 3.253 -7.706 20.589 1.00 74.24 O ATOM 779 OE2 GLU A 49 3.405 -8.991 22.365 1.00 1.24 O ATOM 0 H GLU A 49 6.097 -4.679 21.550 1.00 0.52 H new ATOM 0 HA GLU A 49 7.917 -6.968 21.465 1.00 73.52 H new ATOM 0 HB2 GLU A 49 5.261 -6.381 20.097 1.00 33.11 H new ATOM 0 HB3 GLU A 49 6.145 -7.888 19.956 1.00 33.11 H new ATOM 0 HG2 GLU A 49 5.865 -8.351 22.326 1.00 63.14 H new ATOM 0 HG3 GLU A 49 5.169 -6.767 22.603 1.00 63.14 H new ATOM 786 N THR A 50 8.277 -6.934 18.803 1.00 12.53 N ATOM 787 CA THR A 50 8.933 -6.703 17.523 1.00 60.45 C ATOM 788 C THR A 50 8.537 -7.765 16.503 1.00 30.52 C ATOM 789 O THR A 50 8.696 -8.961 16.745 1.00 22.52 O ATOM 790 CB THR A 50 10.466 -6.696 17.670 1.00 23.21 C ATOM 791 OG1 THR A 50 11.083 -6.805 16.382 1.00 31.53 O ATOM 792 CG2 THR A 50 10.930 -7.841 18.559 1.00 52.43 C ATOM 0 H THR A 50 8.118 -7.917 19.025 1.00 12.53 H new ATOM 0 HA THR A 50 8.605 -5.725 17.172 1.00 60.45 H new ATOM 0 HB THR A 50 10.760 -5.754 18.134 1.00 23.21 H new ATOM 0 HG1 THR A 50 12.058 -6.798 16.485 1.00 31.53 H new ATOM 0 HG21 THR A 50 12.016 -7.815 18.648 1.00 52.43 H new ATOM 0 HG22 THR A 50 10.482 -7.738 19.548 1.00 52.43 H new ATOM 0 HG23 THR A 50 10.624 -8.790 18.119 1.00 52.43 H new ATOM 800 N ALA A 51 8.021 -7.321 15.362 1.00 11.42 N ATOM 801 CA ALA A 51 7.605 -8.233 14.305 1.00 73.43 C ATOM 802 C ALA A 51 8.116 -7.768 12.945 1.00 34.34 C ATOM 803 O ALA A 51 8.063 -6.581 12.624 1.00 10.23 O ATOM 804 CB ALA A 51 6.089 -8.362 14.285 1.00 32.31 C ATOM 0 H ALA A 51 7.881 -6.334 15.146 1.00 11.42 H new ATOM 0 HA ALA A 51 8.039 -9.211 14.512 1.00 73.43 H new ATOM 0 HB1 ALA A 51 5.793 -9.047 13.490 1.00 32.31 H new ATOM 0 HB2 ALA A 51 5.744 -8.748 15.244 1.00 32.31 H new ATOM 0 HB3 ALA A 51 5.643 -7.384 14.106 1.00 32.31 H new ATOM 810 N PHE A 52 8.611 -8.711 12.150 1.00 33.03 N ATOM 811 CA PHE A 52 9.133 -8.397 10.825 1.00 21.15 C ATOM 812 C PHE A 52 8.040 -8.515 9.768 1.00 54.03 C ATOM 813 O PHE A 52 7.597 -9.615 9.436 1.00 71.51 O ATOM 814 CB PHE A 52 10.296 -9.329 10.479 1.00 43.42 C ATOM 815 CG PHE A 52 11.604 -8.906 11.085 1.00 50.23 C ATOM 816 CD1 PHE A 52 12.083 -7.619 10.902 1.00 2.34 C ATOM 817 CD2 PHE A 52 12.354 -9.796 11.836 1.00 3.12 C ATOM 818 CE1 PHE A 52 13.286 -7.226 11.459 1.00 61.30 C ATOM 819 CE2 PHE A 52 13.557 -9.409 12.396 1.00 65.14 C ATOM 820 CZ PHE A 52 14.025 -8.123 12.206 1.00 75.13 C ATOM 0 H PHE A 52 8.662 -9.699 12.400 1.00 33.03 H new ATOM 0 HA PHE A 52 9.492 -7.368 10.837 1.00 21.15 H new ATOM 0 HB2 PHE A 52 10.057 -10.337 10.818 1.00 43.42 H new ATOM 0 HB3 PHE A 52 10.405 -9.375 9.395 1.00 43.42 H new ATOM 0 HD1 PHE A 52 11.510 -6.914 10.317 1.00 2.34 H new ATOM 0 HD2 PHE A 52 11.995 -10.803 11.986 1.00 3.12 H new ATOM 0 HE1 PHE A 52 13.647 -6.219 11.310 1.00 61.30 H new ATOM 0 HE2 PHE A 52 14.131 -10.112 12.982 1.00 65.14 H new ATOM 0 HZ PHE A 52 14.966 -7.820 12.640 1.00 75.13 H new ATOM 830 N LEU A 53 7.608 -7.374 9.242 1.00 10.12 N ATOM 831 CA LEU A 53 6.566 -7.347 8.222 1.00 74.41 C ATOM 832 C LEU A 53 6.956 -6.429 7.068 1.00 22.41 C ATOM 833 O LEU A 53 7.352 -5.284 7.279 1.00 11.13 O ATOM 834 CB LEU A 53 5.241 -6.885 8.830 1.00 15.05 C ATOM 835 CG LEU A 53 4.870 -7.501 10.180 1.00 25.11 C ATOM 836 CD1 LEU A 53 3.762 -6.701 10.847 1.00 44.55 C ATOM 837 CD2 LEU A 53 4.451 -8.954 10.006 1.00 1.53 C ATOM 0 H LEU A 53 7.964 -6.455 9.505 1.00 10.12 H new ATOM 0 HA LEU A 53 6.447 -8.358 7.833 1.00 74.41 H new ATOM 0 HB2 LEU A 53 5.275 -5.802 8.945 1.00 15.05 H new ATOM 0 HB3 LEU A 53 4.443 -7.105 8.121 1.00 15.05 H new ATOM 0 HG LEU A 53 5.749 -7.471 10.824 1.00 25.11 H new ATOM 0 HD11 LEU A 53 3.512 -7.155 11.806 1.00 44.55 H new ATOM 0 HD12 LEU A 53 4.099 -5.677 11.007 1.00 44.55 H new ATOM 0 HD13 LEU A 53 2.880 -6.697 10.207 1.00 44.55 H new ATOM 0 HD21 LEU A 53 4.191 -9.376 10.977 1.00 1.53 H new ATOM 0 HD22 LEU A 53 3.587 -9.007 9.344 1.00 1.53 H new ATOM 0 HD23 LEU A 53 5.275 -9.521 9.573 1.00 1.53 H new ATOM 849 N GLY A 54 6.840 -6.941 5.846 1.00 11.31 N ATOM 850 CA GLY A 54 7.183 -6.153 4.677 1.00 53.24 C ATOM 851 C GLY A 54 6.402 -4.855 4.603 1.00 64.44 C ATOM 852 O GLY A 54 5.612 -4.530 5.488 1.00 34.35 O ATOM 0 H GLY A 54 6.515 -7.887 5.645 1.00 11.31 H new ATOM 0 HA2 GLY A 54 8.250 -5.931 4.693 1.00 53.24 H new ATOM 0 HA3 GLY A 54 6.993 -6.740 3.778 1.00 53.24 H new ATOM 856 N PRO A 55 6.623 -4.088 3.525 1.00 65.01 N ATOM 857 CA PRO A 55 5.945 -2.806 3.314 1.00 41.25 C ATOM 858 C PRO A 55 4.461 -2.978 3.008 1.00 63.54 C ATOM 859 O PRO A 55 3.616 -2.276 3.562 1.00 3.35 O ATOM 860 CB PRO A 55 6.675 -2.213 2.105 1.00 32.53 C ATOM 861 CG PRO A 55 7.220 -3.393 1.376 1.00 12.13 C ATOM 862 CD PRO A 55 7.552 -4.413 2.430 1.00 63.35 C ATOM 0 HA PRO A 55 5.981 -2.175 4.202 1.00 41.25 H new ATOM 0 HB2 PRO A 55 5.996 -1.638 1.476 1.00 32.53 H new ATOM 0 HB3 PRO A 55 7.472 -1.537 2.416 1.00 32.53 H new ATOM 0 HG2 PRO A 55 6.490 -3.786 0.669 1.00 12.13 H new ATOM 0 HG3 PRO A 55 8.106 -3.122 0.802 1.00 12.13 H new ATOM 0 HD2 PRO A 55 7.404 -5.430 2.066 1.00 63.35 H new ATOM 0 HD3 PRO A 55 8.591 -4.337 2.749 1.00 63.35 H new ATOM 870 N LYS A 56 4.150 -3.918 2.122 1.00 61.54 N ATOM 871 CA LYS A 56 2.768 -4.186 1.742 1.00 12.34 C ATOM 872 C LYS A 56 1.957 -4.663 2.943 1.00 72.01 C ATOM 873 O LYS A 56 0.726 -4.644 2.920 1.00 41.13 O ATOM 874 CB LYS A 56 2.716 -5.234 0.629 1.00 23.51 C ATOM 875 CG LYS A 56 3.442 -4.814 -0.637 1.00 3.31 C ATOM 876 CD LYS A 56 2.808 -5.428 -1.874 1.00 23.14 C ATOM 877 CE LYS A 56 3.311 -6.844 -2.113 1.00 14.32 C ATOM 878 NZ LYS A 56 2.611 -7.834 -1.248 1.00 52.04 N ATOM 0 H LYS A 56 4.837 -4.508 1.653 1.00 61.54 H new ATOM 0 HA LYS A 56 2.332 -3.257 1.376 1.00 12.34 H new ATOM 0 HB2 LYS A 56 3.151 -6.163 0.996 1.00 23.51 H new ATOM 0 HB3 LYS A 56 1.674 -5.444 0.388 1.00 23.51 H new ATOM 0 HG2 LYS A 56 3.429 -3.727 -0.722 1.00 3.31 H new ATOM 0 HG3 LYS A 56 4.487 -5.116 -0.575 1.00 3.31 H new ATOM 0 HD2 LYS A 56 1.724 -5.440 -1.761 1.00 23.14 H new ATOM 0 HD3 LYS A 56 3.031 -4.810 -2.744 1.00 23.14 H new ATOM 0 HE2 LYS A 56 3.165 -7.109 -3.160 1.00 14.32 H new ATOM 0 HE3 LYS A 56 4.383 -6.886 -1.920 1.00 14.32 H new ATOM 0 HZ1 LYS A 56 2.644 -8.772 -1.697 1.00 52.04 H new ATOM 0 HZ2 LYS A 56 3.080 -7.877 -0.321 1.00 52.04 H new ATOM 0 HZ3 LYS A 56 1.620 -7.545 -1.122 1.00 52.04 H new ATOM 892 N ASP A 57 2.654 -5.089 3.990 1.00 21.22 N ATOM 893 CA ASP A 57 1.998 -5.569 5.201 1.00 5.03 C ATOM 894 C ASP A 57 1.715 -4.416 6.159 1.00 51.10 C ATOM 895 O ASP A 57 0.743 -4.449 6.915 1.00 45.10 O ATOM 896 CB ASP A 57 2.866 -6.622 5.893 1.00 13.34 C ATOM 897 CG ASP A 57 2.617 -8.019 5.360 1.00 52.32 C ATOM 898 OD1 ASP A 57 3.091 -8.322 4.245 1.00 43.32 O ATOM 899 OD2 ASP A 57 1.948 -8.809 6.058 1.00 63.45 O ATOM 0 H ASP A 57 3.673 -5.112 4.025 1.00 21.22 H new ATOM 0 HA ASP A 57 1.049 -6.022 4.916 1.00 5.03 H new ATOM 0 HB2 ASP A 57 3.917 -6.367 5.759 1.00 13.34 H new ATOM 0 HB3 ASP A 57 2.668 -6.605 6.965 1.00 13.34 H new ATOM 904 N ILE A 58 2.569 -3.399 6.122 1.00 42.02 N ATOM 905 CA ILE A 58 2.410 -2.236 6.986 1.00 21.33 C ATOM 906 C ILE A 58 1.648 -1.123 6.276 1.00 71.04 C ATOM 907 O ILE A 58 1.897 -0.835 5.105 1.00 43.51 O ATOM 908 CB ILE A 58 3.773 -1.692 7.455 1.00 73.24 C ATOM 909 CG1 ILE A 58 4.678 -1.420 6.252 1.00 64.12 C ATOM 910 CG2 ILE A 58 4.434 -2.673 8.411 1.00 0.25 C ATOM 911 CD1 ILE A 58 5.977 -0.735 6.616 1.00 52.30 C ATOM 0 H ILE A 58 3.378 -3.357 5.503 1.00 42.02 H new ATOM 0 HA ILE A 58 1.841 -2.565 7.855 1.00 21.33 H new ATOM 0 HB ILE A 58 3.611 -0.753 7.984 1.00 73.24 H new ATOM 0 HG12 ILE A 58 4.901 -2.364 5.755 1.00 64.12 H new ATOM 0 HG13 ILE A 58 4.139 -0.801 5.534 1.00 64.12 H new ATOM 0 HG21 ILE A 58 5.396 -2.275 8.734 1.00 0.25 H new ATOM 0 HG22 ILE A 58 3.793 -2.822 9.280 1.00 0.25 H new ATOM 0 HG23 ILE A 58 4.587 -3.626 7.905 1.00 0.25 H new ATOM 0 HD11 ILE A 58 6.568 -0.574 5.715 1.00 52.30 H new ATOM 0 HD12 ILE A 58 5.763 0.225 7.086 1.00 52.30 H new ATOM 0 HD13 ILE A 58 6.537 -1.362 7.310 1.00 52.30 H new ATOM 923 N PHE A 59 0.718 -0.499 6.992 1.00 64.33 N ATOM 924 CA PHE A 59 -0.080 0.584 6.430 1.00 34.22 C ATOM 925 C PHE A 59 0.139 1.880 7.206 1.00 75.44 C ATOM 926 O PHE A 59 0.630 1.882 8.335 1.00 71.25 O ATOM 927 CB PHE A 59 -1.565 0.212 6.445 1.00 64.01 C ATOM 928 CG PHE A 59 -2.054 -0.352 5.142 1.00 72.03 C ATOM 929 CD1 PHE A 59 -1.606 -1.584 4.693 1.00 51.00 C ATOM 930 CD2 PHE A 59 -2.963 0.349 4.366 1.00 42.42 C ATOM 931 CE1 PHE A 59 -2.054 -2.105 3.494 1.00 54.21 C ATOM 932 CE2 PHE A 59 -3.415 -0.167 3.166 1.00 51.41 C ATOM 933 CZ PHE A 59 -2.961 -1.396 2.730 1.00 0.20 C ATOM 0 H PHE A 59 0.499 -0.725 7.962 1.00 64.33 H new ATOM 0 HA PHE A 59 0.238 0.740 5.399 1.00 34.22 H new ATOM 0 HB2 PHE A 59 -1.741 -0.517 7.236 1.00 64.01 H new ATOM 0 HB3 PHE A 59 -2.151 1.098 6.691 1.00 64.01 H new ATOM 0 HD1 PHE A 59 -0.899 -2.144 5.287 1.00 51.00 H new ATOM 0 HD2 PHE A 59 -3.323 1.310 4.703 1.00 42.42 H new ATOM 0 HE1 PHE A 59 -1.695 -3.066 3.154 1.00 54.21 H new ATOM 0 HE2 PHE A 59 -4.122 0.390 2.570 1.00 51.41 H new ATOM 0 HZ PHE A 59 -3.314 -1.802 1.794 1.00 0.20 H new ATOM 943 N PRO A 60 -0.234 3.009 6.586 1.00 11.41 N ATOM 944 CA PRO A 60 -0.088 4.333 7.199 1.00 55.22 C ATOM 945 C PRO A 60 -1.048 4.541 8.366 1.00 60.34 C ATOM 946 O PRO A 60 -2.245 4.277 8.252 1.00 53.34 O ATOM 947 CB PRO A 60 -0.423 5.293 6.054 1.00 32.40 C ATOM 948 CG PRO A 60 -1.302 4.505 5.144 1.00 3.13 C ATOM 949 CD PRO A 60 -0.827 3.082 5.240 1.00 22.50 C ATOM 0 HA PRO A 60 0.907 4.480 7.620 1.00 55.22 H new ATOM 0 HB2 PRO A 60 -0.931 6.185 6.421 1.00 32.40 H new ATOM 0 HB3 PRO A 60 0.479 5.628 5.541 1.00 32.40 H new ATOM 0 HG2 PRO A 60 -2.347 4.589 5.442 1.00 3.13 H new ATOM 0 HG3 PRO A 60 -1.232 4.872 4.120 1.00 3.13 H new ATOM 0 HD2 PRO A 60 -1.649 2.376 5.124 1.00 22.50 H new ATOM 0 HD3 PRO A 60 -0.096 2.850 4.466 1.00 22.50 H new ATOM 957 N TYR A 61 -0.515 5.014 9.486 1.00 12.44 N ATOM 958 CA TYR A 61 -1.325 5.255 10.675 1.00 5.40 C ATOM 959 C TYR A 61 -2.347 6.359 10.423 1.00 34.11 C ATOM 960 O TYR A 61 -3.298 6.526 11.187 1.00 20.11 O ATOM 961 CB TYR A 61 -0.431 5.633 11.858 1.00 73.01 C ATOM 962 CG TYR A 61 -0.360 7.122 12.112 1.00 72.20 C ATOM 963 CD1 TYR A 61 0.389 7.952 11.287 1.00 53.01 C ATOM 964 CD2 TYR A 61 -1.041 7.698 13.177 1.00 3.13 C ATOM 965 CE1 TYR A 61 0.457 9.313 11.515 1.00 22.24 C ATOM 966 CE2 TYR A 61 -0.979 9.058 13.412 1.00 31.15 C ATOM 967 CZ TYR A 61 -0.229 9.861 12.579 1.00 22.01 C ATOM 968 OH TYR A 61 -0.164 11.216 12.811 1.00 63.21 O ATOM 0 H TYR A 61 0.474 5.238 9.596 1.00 12.44 H new ATOM 0 HA TYR A 61 -1.861 4.336 10.911 1.00 5.40 H new ATOM 0 HB2 TYR A 61 -0.801 5.137 12.755 1.00 73.01 H new ATOM 0 HB3 TYR A 61 0.575 5.255 11.677 1.00 73.01 H new ATOM 0 HD1 TYR A 61 0.927 7.526 10.453 1.00 53.01 H new ATOM 0 HD2 TYR A 61 -1.629 7.072 13.832 1.00 3.13 H new ATOM 0 HE1 TYR A 61 1.044 9.944 10.864 1.00 22.24 H new ATOM 0 HE2 TYR A 61 -1.515 9.490 14.244 1.00 31.15 H new ATOM 0 HH TYR A 61 -0.704 11.439 13.598 1.00 63.21 H new ATOM 978 N SER A 62 -2.145 7.110 9.345 1.00 21.40 N ATOM 979 CA SER A 62 -3.047 8.200 8.992 1.00 23.23 C ATOM 980 C SER A 62 -4.410 7.662 8.567 1.00 25.42 C ATOM 981 O SER A 62 -5.399 8.393 8.551 1.00 72.53 O ATOM 982 CB SER A 62 -2.445 9.043 7.867 1.00 52.53 C ATOM 983 OG SER A 62 -2.996 10.349 7.858 1.00 4.31 O ATOM 0 H SER A 62 -1.364 6.983 8.701 1.00 21.40 H new ATOM 0 HA SER A 62 -3.183 8.827 9.873 1.00 23.23 H new ATOM 0 HB2 SER A 62 -1.364 9.102 7.991 1.00 52.53 H new ATOM 0 HB3 SER A 62 -2.630 8.560 6.907 1.00 52.53 H new ATOM 0 HG SER A 62 -2.594 10.869 7.131 1.00 4.31 H new ATOM 989 N GLU A 63 -4.451 6.378 8.224 1.00 30.10 N ATOM 990 CA GLU A 63 -5.692 5.742 7.798 1.00 61.51 C ATOM 991 C GLU A 63 -6.357 5.013 8.962 1.00 71.42 C ATOM 992 O GLU A 63 -7.583 4.962 9.057 1.00 4.53 O ATOM 993 CB GLU A 63 -5.422 4.761 6.655 1.00 23.41 C ATOM 994 CG GLU A 63 -6.576 4.636 5.675 1.00 63.44 C ATOM 995 CD GLU A 63 -6.334 3.572 4.622 1.00 61.54 C ATOM 996 OE1 GLU A 63 -5.747 3.900 3.569 1.00 33.24 O ATOM 997 OE2 GLU A 63 -6.732 2.410 4.851 1.00 64.03 O ATOM 0 H GLU A 63 -3.640 5.759 8.233 1.00 30.10 H new ATOM 0 HA GLU A 63 -6.368 6.522 7.446 1.00 61.51 H new ATOM 0 HB2 GLU A 63 -4.531 5.082 6.115 1.00 23.41 H new ATOM 0 HB3 GLU A 63 -5.204 3.779 7.074 1.00 23.41 H new ATOM 0 HG2 GLU A 63 -7.489 4.399 6.222 1.00 63.44 H new ATOM 0 HG3 GLU A 63 -6.738 5.596 5.185 1.00 63.44 H new ATOM 1004 N ASN A 64 -5.539 4.448 9.844 1.00 1.42 N ATOM 1005 CA ASN A 64 -6.047 3.721 11.002 1.00 72.15 C ATOM 1006 C ASN A 64 -6.419 4.681 12.127 1.00 15.12 C ATOM 1007 O ASN A 64 -7.485 4.562 12.733 1.00 42.40 O ATOM 1008 CB ASN A 64 -5.005 2.716 11.497 1.00 43.52 C ATOM 1009 CG ASN A 64 -4.654 1.682 10.445 1.00 23.43 C ATOM 1010 OD1 ASN A 64 -5.179 0.568 10.454 1.00 13.42 O ATOM 1011 ND2 ASN A 64 -3.761 2.045 9.532 1.00 4.43 N ATOM 0 H ASN A 64 -4.522 4.480 9.779 1.00 1.42 H new ATOM 0 HA ASN A 64 -6.944 3.183 10.697 1.00 72.15 H new ATOM 0 HB2 ASN A 64 -4.102 3.249 11.794 1.00 43.52 H new ATOM 0 HB3 ASN A 64 -5.384 2.212 12.386 1.00 43.52 H new ATOM 0 HD21 ASN A 64 -3.485 1.390 8.800 1.00 4.43 H new ATOM 0 HD22 ASN A 64 -3.351 2.979 9.562 1.00 4.43 H new ATOM 1018 N LYS A 65 -5.535 5.633 12.402 1.00 44.41 N ATOM 1019 CA LYS A 65 -5.769 6.616 13.453 1.00 52.41 C ATOM 1020 C LYS A 65 -7.087 7.351 13.226 1.00 4.15 C ATOM 1021 O LYS A 65 -7.716 7.820 14.174 1.00 52.21 O ATOM 1022 CB LYS A 65 -4.616 7.621 13.507 1.00 23.31 C ATOM 1023 CG LYS A 65 -4.698 8.699 12.441 1.00 44.13 C ATOM 1024 CD LYS A 65 -5.410 9.939 12.955 1.00 73.33 C ATOM 1025 CE LYS A 65 -6.080 10.706 11.825 1.00 61.54 C ATOM 1026 NZ LYS A 65 -7.299 11.425 12.288 1.00 22.51 N ATOM 0 H LYS A 65 -4.648 5.745 11.911 1.00 44.41 H new ATOM 0 HA LYS A 65 -5.826 6.087 14.404 1.00 52.41 H new ATOM 0 HB2 LYS A 65 -4.603 8.093 14.489 1.00 23.31 H new ATOM 0 HB3 LYS A 65 -3.673 7.085 13.398 1.00 23.31 H new ATOM 0 HG2 LYS A 65 -3.693 8.965 12.113 1.00 44.13 H new ATOM 0 HG3 LYS A 65 -5.225 8.311 11.569 1.00 44.13 H new ATOM 0 HD2 LYS A 65 -6.158 9.650 13.694 1.00 73.33 H new ATOM 0 HD3 LYS A 65 -4.695 10.587 13.462 1.00 73.33 H new ATOM 0 HE2 LYS A 65 -5.374 11.422 11.404 1.00 61.54 H new ATOM 0 HE3 LYS A 65 -6.348 10.015 11.026 1.00 61.54 H new ATOM 0 HZ1 LYS A 65 -7.871 11.705 11.465 1.00 22.51 H new ATOM 0 HZ2 LYS A 65 -7.859 10.799 12.902 1.00 22.51 H new ATOM 0 HZ3 LYS A 65 -7.020 12.274 12.821 1.00 22.51 H new ATOM 1040 N GLU A 66 -7.497 7.446 11.966 1.00 73.53 N ATOM 1041 CA GLU A 66 -8.741 8.123 11.617 1.00 64.23 C ATOM 1042 C GLU A 66 -9.932 7.179 11.755 1.00 63.25 C ATOM 1043 O GLU A 66 -11.079 7.617 11.843 1.00 70.33 O ATOM 1044 CB GLU A 66 -8.668 8.665 10.188 1.00 53.03 C ATOM 1045 CG GLU A 66 -9.529 9.896 9.959 1.00 13.05 C ATOM 1046 CD GLU A 66 -8.960 10.817 8.898 1.00 11.52 C ATOM 1047 OE1 GLU A 66 -8.161 11.709 9.254 1.00 12.11 O ATOM 1048 OE2 GLU A 66 -9.313 10.648 7.713 1.00 73.53 O ATOM 0 H GLU A 66 -6.987 7.063 11.170 1.00 73.53 H new ATOM 0 HA GLU A 66 -8.878 8.955 12.307 1.00 64.23 H new ATOM 0 HB2 GLU A 66 -7.632 8.908 9.953 1.00 53.03 H new ATOM 0 HB3 GLU A 66 -8.977 7.882 9.495 1.00 53.03 H new ATOM 0 HG2 GLU A 66 -10.531 9.584 9.665 1.00 13.05 H new ATOM 0 HG3 GLU A 66 -9.628 10.445 10.896 1.00 13.05 H new ATOM 1055 N LYS A 67 -9.651 5.880 11.772 1.00 42.33 N ATOM 1056 CA LYS A 67 -10.697 4.872 11.899 1.00 3.42 C ATOM 1057 C LYS A 67 -11.198 4.787 13.337 1.00 10.53 C ATOM 1058 O LYS A 67 -12.379 5.009 13.607 1.00 23.14 O ATOM 1059 CB LYS A 67 -10.175 3.506 11.448 1.00 2.33 C ATOM 1060 CG LYS A 67 -10.543 3.157 10.017 1.00 62.23 C ATOM 1061 CD LYS A 67 -12.044 2.995 9.851 1.00 75.04 C ATOM 1062 CE LYS A 67 -12.465 1.538 9.970 1.00 44.05 C ATOM 1063 NZ LYS A 67 -13.671 1.240 9.148 1.00 25.33 N ATOM 0 H LYS A 67 -8.707 5.501 11.699 1.00 42.33 H new ATOM 0 HA LYS A 67 -11.529 5.165 11.259 1.00 3.42 H new ATOM 0 HB2 LYS A 67 -9.090 3.489 11.550 1.00 2.33 H new ATOM 0 HB3 LYS A 67 -10.569 2.738 12.113 1.00 2.33 H new ATOM 0 HG2 LYS A 67 -10.184 3.939 9.347 1.00 62.23 H new ATOM 0 HG3 LYS A 67 -10.042 2.234 9.726 1.00 62.23 H new ATOM 0 HD2 LYS A 67 -12.560 3.587 10.607 1.00 75.04 H new ATOM 0 HD3 LYS A 67 -12.348 3.384 8.879 1.00 75.04 H new ATOM 0 HE2 LYS A 67 -11.643 0.896 9.655 1.00 44.05 H new ATOM 0 HE3 LYS A 67 -12.670 1.303 11.014 1.00 44.05 H new ATOM 0 HZ1 LYS A 67 -13.926 0.238 9.256 1.00 25.33 H new ATOM 0 HZ2 LYS A 67 -14.463 1.835 9.465 1.00 25.33 H new ATOM 0 HZ3 LYS A 67 -13.467 1.439 8.148 1.00 25.33 H new ATOM 1077 N TYR A 68 -10.294 4.467 14.256 1.00 2.11 N ATOM 1078 CA TYR A 68 -10.645 4.352 15.667 1.00 40.44 C ATOM 1079 C TYR A 68 -9.675 5.147 16.536 1.00 70.21 C ATOM 1080 O TYR A 68 -10.007 5.547 17.651 1.00 74.22 O ATOM 1081 CB TYR A 68 -10.646 2.884 16.096 1.00 55.15 C ATOM 1082 CG TYR A 68 -10.804 1.917 14.944 1.00 14.10 C ATOM 1083 CD1 TYR A 68 -12.064 1.515 14.517 1.00 51.13 C ATOM 1084 CD2 TYR A 68 -9.694 1.405 14.284 1.00 35.51 C ATOM 1085 CE1 TYR A 68 -12.213 0.631 13.466 1.00 54.24 C ATOM 1086 CE2 TYR A 68 -9.834 0.521 13.231 1.00 13.41 C ATOM 1087 CZ TYR A 68 -11.096 0.138 12.826 1.00 64.43 C ATOM 1088 OH TYR A 68 -11.239 -0.743 11.778 1.00 31.11 O ATOM 0 H TYR A 68 -9.312 4.283 14.049 1.00 2.11 H new ATOM 0 HA TYR A 68 -11.645 4.763 15.801 1.00 40.44 H new ATOM 0 HB2 TYR A 68 -9.714 2.666 16.617 1.00 55.15 H new ATOM 0 HB3 TYR A 68 -11.455 2.723 16.808 1.00 55.15 H new ATOM 0 HD1 TYR A 68 -12.941 1.900 15.015 1.00 51.13 H new ATOM 0 HD2 TYR A 68 -8.705 1.703 14.599 1.00 35.51 H new ATOM 0 HE1 TYR A 68 -13.199 0.328 13.147 1.00 54.24 H new ATOM 0 HE2 TYR A 68 -8.961 0.132 12.728 1.00 13.41 H new ATOM 0 HH TYR A 68 -10.355 -0.993 11.438 1.00 31.11 H new ATOM 1098 N GLY A 69 -8.472 5.372 16.015 1.00 13.15 N ATOM 1099 CA GLY A 69 -7.472 6.118 16.756 1.00 64.02 C ATOM 1100 C GLY A 69 -6.846 5.301 17.869 1.00 2.41 C ATOM 1101 O GLY A 69 -5.800 5.667 18.405 1.00 4.24 O ATOM 0 H GLY A 69 -8.173 5.051 15.094 1.00 13.15 H new ATOM 0 HA2 GLY A 69 -6.692 6.452 16.072 1.00 64.02 H new ATOM 0 HA3 GLY A 69 -7.930 7.012 17.179 1.00 64.02 H new ATOM 1105 N LYS A 70 -7.488 4.192 18.220 1.00 42.22 N ATOM 1106 CA LYS A 70 -6.989 3.321 19.277 1.00 71.30 C ATOM 1107 C LYS A 70 -7.397 1.873 19.026 1.00 71.50 C ATOM 1108 O LYS A 70 -8.313 1.585 18.255 1.00 10.10 O ATOM 1109 CB LYS A 70 -7.517 3.782 20.638 1.00 65.24 C ATOM 1110 CG LYS A 70 -8.891 4.424 20.571 1.00 13.11 C ATOM 1111 CD LYS A 70 -9.586 4.396 21.922 1.00 4.44 C ATOM 1112 CE LYS A 70 -10.248 3.052 22.181 1.00 22.23 C ATOM 1113 NZ LYS A 70 -11.398 2.814 21.266 1.00 50.53 N ATOM 0 H LYS A 70 -8.356 3.875 17.787 1.00 42.22 H new ATOM 0 HA LYS A 70 -5.901 3.379 19.278 1.00 71.30 H new ATOM 0 HB2 LYS A 70 -7.558 2.926 21.312 1.00 65.24 H new ATOM 0 HB3 LYS A 70 -6.813 4.494 21.069 1.00 65.24 H new ATOM 0 HG2 LYS A 70 -8.796 5.455 20.231 1.00 13.11 H new ATOM 0 HG3 LYS A 70 -9.502 3.901 19.835 1.00 13.11 H new ATOM 0 HD2 LYS A 70 -8.861 4.603 22.709 1.00 4.44 H new ATOM 0 HD3 LYS A 70 -10.336 5.186 21.963 1.00 4.44 H new ATOM 0 HE2 LYS A 70 -9.514 2.256 22.056 1.00 22.23 H new ATOM 0 HE3 LYS A 70 -10.592 3.010 23.215 1.00 22.23 H new ATOM 0 HZ1 LYS A 70 -12.036 2.109 21.687 1.00 50.53 H new ATOM 0 HZ2 LYS A 70 -11.915 3.705 21.119 1.00 50.53 H new ATOM 0 HZ3 LYS A 70 -11.048 2.462 20.352 1.00 50.53 H new ATOM 1127 N PRO A 71 -6.704 0.937 19.692 1.00 2.53 N ATOM 1128 CA PRO A 71 -6.978 -0.496 19.559 1.00 60.41 C ATOM 1129 C PRO A 71 -8.308 -0.893 20.190 1.00 73.32 C ATOM 1130 O PRO A 71 -8.732 -0.310 21.186 1.00 1.43 O ATOM 1131 CB PRO A 71 -5.815 -1.151 20.308 1.00 65.22 C ATOM 1132 CG PRO A 71 -5.369 -0.123 21.289 1.00 0.41 C ATOM 1133 CD PRO A 71 -5.599 1.208 20.628 1.00 71.04 C ATOM 0 HA PRO A 71 -7.056 -0.800 18.515 1.00 60.41 H new ATOM 0 HB2 PRO A 71 -6.132 -2.065 20.809 1.00 65.22 H new ATOM 0 HB3 PRO A 71 -5.009 -1.424 19.627 1.00 65.22 H new ATOM 0 HG2 PRO A 71 -5.933 -0.200 22.218 1.00 0.41 H new ATOM 0 HG3 PRO A 71 -4.317 -0.256 21.543 1.00 0.41 H new ATOM 0 HD2 PRO A 71 -5.866 1.976 21.354 1.00 71.04 H new ATOM 0 HD3 PRO A 71 -4.708 1.558 20.107 1.00 71.04 H new ATOM 1141 N ASN A 72 -8.962 -1.890 19.602 1.00 34.25 N ATOM 1142 CA ASN A 72 -10.245 -2.365 20.108 1.00 74.02 C ATOM 1143 C ASN A 72 -10.063 -3.609 20.972 1.00 1.34 C ATOM 1144 O ASN A 72 -10.440 -3.625 22.144 1.00 14.02 O ATOM 1145 CB ASN A 72 -11.192 -2.672 18.946 1.00 35.31 C ATOM 1146 CG ASN A 72 -12.287 -1.632 18.802 1.00 64.25 C ATOM 1147 OD1 ASN A 72 -12.413 -0.989 17.759 1.00 34.23 O ATOM 1148 ND2 ASN A 72 -13.083 -1.462 19.850 1.00 34.21 N ATOM 0 H ASN A 72 -8.625 -2.384 18.776 1.00 34.25 H new ATOM 0 HA ASN A 72 -10.679 -1.577 20.724 1.00 74.02 H new ATOM 0 HB2 ASN A 72 -10.621 -2.725 18.019 1.00 35.31 H new ATOM 0 HB3 ASN A 72 -11.644 -3.652 19.098 1.00 35.31 H new ATOM 0 HD21 ASN A 72 -13.837 -0.776 19.812 1.00 34.21 H new ATOM 0 HD22 ASN A 72 -12.941 -2.017 20.694 1.00 34.21 H new ATOM 1155 N LYS A 73 -9.481 -4.650 20.387 1.00 40.35 N ATOM 1156 CA LYS A 73 -9.246 -5.898 21.102 1.00 24.11 C ATOM 1157 C LYS A 73 -7.757 -6.229 21.144 1.00 72.12 C ATOM 1158 O LYS A 73 -7.370 -7.397 21.110 1.00 75.41 O ATOM 1159 CB LYS A 73 -10.015 -7.043 20.439 1.00 51.20 C ATOM 1160 CG LYS A 73 -9.519 -7.381 19.044 1.00 62.50 C ATOM 1161 CD LYS A 73 -10.616 -8.006 18.198 1.00 1.50 C ATOM 1162 CE LYS A 73 -11.607 -6.960 17.710 1.00 2.45 C ATOM 1163 NZ LYS A 73 -12.894 -7.573 17.281 1.00 12.23 N ATOM 0 H LYS A 73 -9.163 -4.654 19.418 1.00 40.35 H new ATOM 0 HA LYS A 73 -9.602 -5.774 22.125 1.00 24.11 H new ATOM 0 HB2 LYS A 73 -9.941 -7.931 21.067 1.00 51.20 H new ATOM 0 HB3 LYS A 73 -11.071 -6.778 20.386 1.00 51.20 H new ATOM 0 HG2 LYS A 73 -9.154 -6.476 18.558 1.00 62.50 H new ATOM 0 HG3 LYS A 73 -8.676 -8.068 19.113 1.00 62.50 H new ATOM 0 HD2 LYS A 73 -10.172 -8.515 17.343 1.00 1.50 H new ATOM 0 HD3 LYS A 73 -11.141 -8.762 18.782 1.00 1.50 H new ATOM 0 HE2 LYS A 73 -11.795 -6.239 18.506 1.00 2.45 H new ATOM 0 HE3 LYS A 73 -11.172 -6.408 16.877 1.00 2.45 H new ATOM 0 HZ1 LYS A 73 -13.542 -6.828 16.955 1.00 12.23 H new ATOM 0 HZ2 LYS A 73 -12.718 -8.242 16.505 1.00 12.23 H new ATOM 0 HZ3 LYS A 73 -13.322 -8.078 18.083 1.00 12.23 H new ATOM 1177 N ARG A 74 -6.927 -5.194 21.219 1.00 53.21 N ATOM 1178 CA ARG A 74 -5.482 -5.375 21.266 1.00 65.44 C ATOM 1179 C ARG A 74 -4.913 -4.876 22.591 1.00 54.02 C ATOM 1180 O ARG A 74 -5.093 -3.715 22.958 1.00 54.41 O ATOM 1181 CB ARG A 74 -4.816 -4.638 20.103 1.00 44.34 C ATOM 1182 CG ARG A 74 -5.013 -5.317 18.757 1.00 15.14 C ATOM 1183 CD ARG A 74 -4.183 -6.586 18.647 1.00 71.04 C ATOM 1184 NE ARG A 74 -2.762 -6.331 18.866 1.00 21.20 N ATOM 1185 CZ ARG A 74 -1.852 -7.292 18.980 1.00 30.23 C ATOM 1186 NH1 ARG A 74 -2.213 -8.565 18.896 1.00 72.12 N ATOM 1187 NH2 ARG A 74 -0.578 -6.981 19.179 1.00 4.30 N ATOM 0 H ARG A 74 -7.231 -4.221 21.249 1.00 53.21 H new ATOM 0 HA ARG A 74 -5.272 -6.441 21.180 1.00 65.44 H new ATOM 0 HB2 ARG A 74 -5.214 -3.625 20.051 1.00 44.34 H new ATOM 0 HB3 ARG A 74 -3.748 -4.551 20.303 1.00 44.34 H new ATOM 0 HG2 ARG A 74 -6.067 -5.557 18.620 1.00 15.14 H new ATOM 0 HG3 ARG A 74 -4.737 -4.630 17.957 1.00 15.14 H new ATOM 0 HD2 ARG A 74 -4.537 -7.315 19.376 1.00 71.04 H new ATOM 0 HD3 ARG A 74 -4.324 -7.027 17.660 1.00 71.04 H new ATOM 0 HE ARG A 74 -2.451 -5.362 18.935 1.00 21.20 H new ATOM 0 HH11 ARG A 74 -3.192 -8.809 18.743 1.00 72.12 H new ATOM 0 HH12 ARG A 74 -1.512 -9.301 18.984 1.00 72.12 H new ATOM 0 HH21 ARG A 74 -0.296 -6.003 19.245 1.00 4.30 H new ATOM 0 HH22 ARG A 74 0.120 -7.720 19.266 1.00 4.30 H new ATOM 1201 N LYS A 75 -4.227 -5.761 23.305 1.00 30.24 N ATOM 1202 CA LYS A 75 -3.631 -5.412 24.590 1.00 53.34 C ATOM 1203 C LYS A 75 -2.728 -4.190 24.456 1.00 15.40 C ATOM 1204 O LYS A 75 -2.083 -3.992 23.427 1.00 11.04 O ATOM 1205 CB LYS A 75 -2.830 -6.593 25.142 1.00 51.03 C ATOM 1206 CG LYS A 75 -3.676 -7.823 25.424 1.00 1.42 C ATOM 1207 CD LYS A 75 -4.370 -7.725 26.773 1.00 44.55 C ATOM 1208 CE LYS A 75 -5.209 -8.960 27.058 1.00 32.15 C ATOM 1209 NZ LYS A 75 -6.376 -8.648 27.930 1.00 61.42 N ATOM 0 H LYS A 75 -4.069 -6.726 23.016 1.00 30.24 H new ATOM 0 HA LYS A 75 -4.437 -5.173 25.283 1.00 53.34 H new ATOM 0 HB2 LYS A 75 -2.048 -6.856 24.429 1.00 51.03 H new ATOM 0 HB3 LYS A 75 -2.333 -6.286 26.062 1.00 51.03 H new ATOM 0 HG2 LYS A 75 -4.422 -7.941 24.638 1.00 1.42 H new ATOM 0 HG3 LYS A 75 -3.046 -8.712 25.402 1.00 1.42 H new ATOM 0 HD2 LYS A 75 -3.625 -7.601 27.559 1.00 44.55 H new ATOM 0 HD3 LYS A 75 -5.005 -6.839 26.793 1.00 44.55 H new ATOM 0 HE2 LYS A 75 -5.561 -9.385 26.118 1.00 32.15 H new ATOM 0 HE3 LYS A 75 -4.589 -9.717 27.538 1.00 32.15 H new ATOM 0 HZ1 LYS A 75 -6.923 -9.516 28.101 1.00 61.42 H new ATOM 0 HZ2 LYS A 75 -6.039 -8.266 28.837 1.00 61.42 H new ATOM 0 HZ3 LYS A 75 -6.981 -7.944 27.461 1.00 61.42 H new ATOM 1223 N GLY A 76 -2.687 -3.372 25.504 1.00 20.41 N ATOM 1224 CA GLY A 76 -1.859 -2.181 25.483 1.00 0.24 C ATOM 1225 C GLY A 76 -2.637 -0.941 25.087 1.00 25.34 C ATOM 1226 O GLY A 76 -2.050 0.101 24.794 1.00 33.11 O ATOM 0 H GLY A 76 -3.213 -3.513 26.367 1.00 20.41 H new ATOM 0 HA2 GLY A 76 -1.419 -2.031 26.469 1.00 0.24 H new ATOM 0 HA3 GLY A 76 -1.035 -2.327 24.785 1.00 0.24 H new ATOM 1230 N PHE A 77 -3.961 -1.054 25.077 1.00 4.41 N ATOM 1231 CA PHE A 77 -4.820 0.066 24.711 1.00 10.33 C ATOM 1232 C PHE A 77 -4.631 1.234 25.675 1.00 50.31 C ATOM 1233 O PHE A 77 -4.543 1.045 26.887 1.00 34.52 O ATOM 1234 CB PHE A 77 -6.286 -0.370 24.703 1.00 75.24 C ATOM 1235 CG PHE A 77 -6.790 -0.805 26.049 1.00 15.11 C ATOM 1236 CD1 PHE A 77 -7.284 0.123 26.951 1.00 13.24 C ATOM 1237 CD2 PHE A 77 -6.770 -2.142 26.413 1.00 41.14 C ATOM 1238 CE1 PHE A 77 -7.749 -0.273 28.191 1.00 33.42 C ATOM 1239 CE2 PHE A 77 -7.234 -2.544 27.651 1.00 62.54 C ATOM 1240 CZ PHE A 77 -7.723 -1.609 28.542 1.00 61.15 C ATOM 0 H PHE A 77 -4.462 -1.909 25.318 1.00 4.41 H new ATOM 0 HA PHE A 77 -4.540 0.394 23.710 1.00 10.33 H new ATOM 0 HB2 PHE A 77 -6.900 0.456 24.344 1.00 75.24 H new ATOM 0 HB3 PHE A 77 -6.409 -1.190 23.996 1.00 75.24 H new ATOM 0 HD1 PHE A 77 -7.306 1.169 26.682 1.00 13.24 H new ATOM 0 HD2 PHE A 77 -6.387 -2.878 25.721 1.00 41.14 H new ATOM 0 HE1 PHE A 77 -8.132 0.461 28.885 1.00 33.42 H new ATOM 0 HE2 PHE A 77 -7.214 -3.589 27.922 1.00 62.54 H new ATOM 0 HZ PHE A 77 -8.084 -1.921 29.511 1.00 61.15 H new ATOM 1250 N ASN A 78 -4.569 2.443 25.125 1.00 24.23 N ATOM 1251 CA ASN A 78 -4.389 3.642 25.935 1.00 3.32 C ATOM 1252 C ASN A 78 -3.143 3.527 26.809 1.00 52.23 C ATOM 1253 O ASN A 78 -3.053 4.155 27.863 1.00 32.43 O ATOM 1254 CB ASN A 78 -5.620 3.880 26.812 1.00 41.32 C ATOM 1255 CG ASN A 78 -6.247 5.240 26.571 1.00 74.35 C ATOM 1256 OD1 ASN A 78 -7.447 5.345 26.313 1.00 44.24 O ATOM 1257 ND2 ASN A 78 -5.437 6.288 26.653 1.00 0.42 N ATOM 0 H ASN A 78 -4.641 2.618 24.123 1.00 24.23 H new ATOM 0 HA ASN A 78 -4.262 4.489 25.261 1.00 3.32 H new ATOM 0 HB2 ASN A 78 -6.358 3.103 26.616 1.00 41.32 H new ATOM 0 HB3 ASN A 78 -5.337 3.794 27.861 1.00 41.32 H new ATOM 0 HD21 ASN A 78 -5.802 7.228 26.500 1.00 0.42 H new ATOM 0 HD22 ASN A 78 -4.449 6.153 26.869 1.00 0.42 H new ATOM 1264 N GLU A 79 -2.185 2.722 26.361 1.00 72.42 N ATOM 1265 CA GLU A 79 -0.945 2.525 27.102 1.00 32.42 C ATOM 1266 C GLU A 79 0.144 3.470 26.602 1.00 34.25 C ATOM 1267 O GLU A 79 1.325 3.126 26.597 1.00 12.22 O ATOM 1268 CB GLU A 79 -0.474 1.074 26.976 1.00 52.33 C ATOM 1269 CG GLU A 79 0.511 0.658 28.055 1.00 35.33 C ATOM 1270 CD GLU A 79 -0.009 0.926 29.454 1.00 14.12 C ATOM 1271 OE1 GLU A 79 0.158 2.064 29.940 1.00 12.43 O ATOM 1272 OE2 GLU A 79 -0.583 -0.001 30.063 1.00 62.22 O ATOM 0 H GLU A 79 -2.244 2.196 25.489 1.00 72.42 H new ATOM 0 HA GLU A 79 -1.140 2.746 28.151 1.00 32.42 H new ATOM 0 HB2 GLU A 79 -1.341 0.415 27.014 1.00 52.33 H new ATOM 0 HB3 GLU A 79 -0.010 0.935 25.999 1.00 52.33 H new ATOM 0 HG2 GLU A 79 0.731 -0.404 27.951 1.00 35.33 H new ATOM 0 HG3 GLU A 79 1.449 1.194 27.911 1.00 35.33 H new ATOM 1279 N GLY A 80 -0.264 4.664 26.182 1.00 73.51 N ATOM 1280 CA GLY A 80 0.687 5.640 25.685 1.00 4.12 C ATOM 1281 C GLY A 80 0.477 5.961 24.219 1.00 54.21 C ATOM 1282 O GLY A 80 1.415 6.343 23.518 1.00 13.41 O ATOM 0 H GLY A 80 -1.236 4.972 26.177 1.00 73.51 H new ATOM 0 HA2 GLY A 80 0.602 6.556 26.270 1.00 4.12 H new ATOM 0 HA3 GLY A 80 1.699 5.262 25.830 1.00 4.12 H new ATOM 1286 N LEU A 81 -0.757 5.805 23.752 1.00 33.12 N ATOM 1287 CA LEU A 81 -1.089 6.079 22.358 1.00 4.53 C ATOM 1288 C LEU A 81 -0.699 7.504 21.976 1.00 14.05 C ATOM 1289 O LEU A 81 -0.404 7.787 20.816 1.00 42.05 O ATOM 1290 CB LEU A 81 -2.584 5.865 22.117 1.00 1.12 C ATOM 1291 CG LEU A 81 -3.107 6.275 20.740 1.00 13.43 C ATOM 1292 CD1 LEU A 81 -3.175 5.071 19.814 1.00 24.02 C ATOM 1293 CD2 LEU A 81 -4.474 6.933 20.863 1.00 32.25 C ATOM 0 H LEU A 81 -1.545 5.490 24.319 1.00 33.12 H new ATOM 0 HA LEU A 81 -0.525 5.387 21.733 1.00 4.53 H new ATOM 0 HB2 LEU A 81 -2.809 4.809 22.269 1.00 1.12 H new ATOM 0 HB3 LEU A 81 -3.137 6.421 22.874 1.00 1.12 H new ATOM 0 HG LEU A 81 -2.414 6.999 20.311 1.00 13.43 H new ATOM 0 HD11 LEU A 81 -3.549 5.383 18.839 1.00 24.02 H new ATOM 0 HD12 LEU A 81 -2.179 4.643 19.700 1.00 24.02 H new ATOM 0 HD13 LEU A 81 -3.845 4.323 20.238 1.00 24.02 H new ATOM 0 HD21 LEU A 81 -4.831 7.218 19.873 1.00 32.25 H new ATOM 0 HD22 LEU A 81 -5.176 6.232 21.314 1.00 32.25 H new ATOM 0 HD23 LEU A 81 -4.395 7.821 21.490 1.00 32.25 H new ATOM 1305 N TRP A 82 -0.700 8.395 22.961 1.00 44.52 N ATOM 1306 CA TRP A 82 -0.344 9.791 22.728 1.00 32.21 C ATOM 1307 C TRP A 82 1.117 9.918 22.314 1.00 45.44 C ATOM 1308 O TRP A 82 1.542 10.962 21.819 1.00 1.12 O ATOM 1309 CB TRP A 82 -0.605 10.621 23.986 1.00 41.53 C ATOM 1310 CG TRP A 82 0.055 11.967 23.956 1.00 33.02 C ATOM 1311 CD1 TRP A 82 -0.491 13.138 23.514 1.00 75.13 C ATOM 1312 CD2 TRP A 82 1.385 12.279 24.385 1.00 15.01 C ATOM 1313 NE1 TRP A 82 0.419 14.159 23.642 1.00 51.14 N ATOM 1314 CE2 TRP A 82 1.577 13.658 24.175 1.00 42.54 C ATOM 1315 CE3 TRP A 82 2.430 11.528 24.928 1.00 4.23 C ATOM 1316 CZ2 TRP A 82 2.773 14.299 24.488 1.00 62.04 C ATOM 1317 CZ3 TRP A 82 3.617 12.165 25.238 1.00 12.31 C ATOM 1318 CH2 TRP A 82 3.780 13.539 25.018 1.00 43.40 C ATOM 0 H TRP A 82 -0.943 8.177 23.927 1.00 44.52 H new ATOM 0 HA TRP A 82 -0.966 10.169 21.916 1.00 32.21 H new ATOM 0 HB2 TRP A 82 -1.680 10.754 24.109 1.00 41.53 H new ATOM 0 HB3 TRP A 82 -0.250 10.070 24.857 1.00 41.53 H new ATOM 0 HD1 TRP A 82 -1.491 13.246 23.121 1.00 75.13 H new ATOM 0 HE1 TRP A 82 0.258 15.132 23.382 1.00 51.14 H new ATOM 0 HE3 TRP A 82 2.313 10.469 25.103 1.00 4.23 H new ATOM 0 HZ2 TRP A 82 2.901 15.358 24.319 1.00 62.04 H new ATOM 0 HZ3 TRP A 82 4.432 11.594 25.657 1.00 12.31 H new ATOM 0 HH2 TRP A 82 4.719 14.008 25.272 1.00 43.40 H new ATOM 1329 N GLU A 83 1.882 8.850 22.518 1.00 12.14 N ATOM 1330 CA GLU A 83 3.297 8.845 22.166 1.00 54.04 C ATOM 1331 C GLU A 83 3.480 8.773 20.652 1.00 12.34 C ATOM 1332 O GLU A 83 4.381 9.401 20.095 1.00 20.24 O ATOM 1333 CB GLU A 83 4.007 7.666 22.833 1.00 62.52 C ATOM 1334 CG GLU A 83 4.234 7.856 24.323 1.00 23.31 C ATOM 1335 CD GLU A 83 4.583 6.560 25.030 1.00 3.51 C ATOM 1336 OE1 GLU A 83 4.788 5.543 24.336 1.00 74.35 O ATOM 1337 OE2 GLU A 83 4.652 6.564 26.277 1.00 40.22 O ATOM 0 H GLU A 83 1.546 7.977 22.925 1.00 12.14 H new ATOM 0 HA GLU A 83 3.738 9.775 22.525 1.00 54.04 H new ATOM 0 HB2 GLU A 83 3.418 6.762 22.676 1.00 62.52 H new ATOM 0 HB3 GLU A 83 4.969 7.509 22.345 1.00 62.52 H new ATOM 0 HG2 GLU A 83 5.038 8.576 24.475 1.00 23.31 H new ATOM 0 HG3 GLU A 83 3.336 8.280 24.772 1.00 23.31 H new ATOM 1344 N ILE A 84 2.619 8.004 19.994 1.00 24.01 N ATOM 1345 CA ILE A 84 2.686 7.850 18.546 1.00 14.41 C ATOM 1346 C ILE A 84 2.429 9.177 17.840 1.00 14.42 C ATOM 1347 O ILE A 84 2.693 9.318 16.646 1.00 55.30 O ATOM 1348 CB ILE A 84 1.668 6.809 18.043 1.00 25.03 C ATOM 1349 CG1 ILE A 84 2.038 6.343 16.634 1.00 73.44 C ATOM 1350 CG2 ILE A 84 0.262 7.389 18.064 1.00 42.31 C ATOM 1351 CD1 ILE A 84 1.031 5.389 16.030 1.00 72.04 C ATOM 0 H ILE A 84 1.867 7.478 20.440 1.00 24.01 H new ATOM 0 HA ILE A 84 3.693 7.505 18.312 1.00 14.41 H new ATOM 0 HB ILE A 84 1.693 5.946 18.709 1.00 25.03 H new ATOM 0 HG12 ILE A 84 2.136 7.214 15.986 1.00 73.44 H new ATOM 0 HG13 ILE A 84 3.013 5.858 16.665 1.00 73.44 H new ATOM 0 HG21 ILE A 84 -0.445 6.641 17.706 1.00 42.31 H new ATOM 0 HG22 ILE A 84 0.002 7.676 19.083 1.00 42.31 H new ATOM 0 HG23 ILE A 84 0.221 8.266 17.418 1.00 42.31 H new ATOM 0 HD11 ILE A 84 1.357 5.100 15.031 1.00 72.04 H new ATOM 0 HD12 ILE A 84 0.950 4.501 16.656 1.00 72.04 H new ATOM 0 HD13 ILE A 84 0.059 5.878 15.967 1.00 72.04 H new ATOM 1363 N ASP A 85 1.914 10.148 18.587 1.00 40.32 N ATOM 1364 CA ASP A 85 1.624 11.466 18.034 1.00 51.03 C ATOM 1365 C ASP A 85 2.520 12.528 18.662 1.00 44.51 C ATOM 1366 O ASP A 85 2.359 13.721 18.406 1.00 62.10 O ATOM 1367 CB ASP A 85 0.154 11.824 18.257 1.00 11.23 C ATOM 1368 CG ASP A 85 -0.393 12.731 17.172 1.00 22.30 C ATOM 1369 OD1 ASP A 85 0.013 12.568 16.002 1.00 24.21 O ATOM 1370 OD2 ASP A 85 -1.227 13.602 17.492 1.00 14.33 O ATOM 0 H ASP A 85 1.689 10.047 19.577 1.00 40.32 H new ATOM 0 HA ASP A 85 1.824 11.435 16.963 1.00 51.03 H new ATOM 0 HB2 ASP A 85 -0.438 10.909 18.294 1.00 11.23 H new ATOM 0 HB3 ASP A 85 0.045 12.314 19.225 1.00 11.23 H new ATOM 1375 N ASN A 86 3.465 12.087 19.486 1.00 33.43 N ATOM 1376 CA ASN A 86 4.386 13.000 20.153 1.00 60.23 C ATOM 1377 C ASN A 86 5.764 12.364 20.309 1.00 42.32 C ATOM 1378 O ASN A 86 6.731 12.792 19.679 1.00 33.31 O ATOM 1379 CB ASN A 86 3.838 13.399 21.524 1.00 0.42 C ATOM 1380 CG ASN A 86 2.735 14.435 21.427 1.00 54.14 C ATOM 1381 OD1 ASN A 86 2.945 15.612 21.721 1.00 71.10 O ATOM 1382 ND2 ASN A 86 1.550 14.000 21.012 1.00 44.51 N ATOM 0 H ASN A 86 3.613 11.102 19.708 1.00 33.43 H new ATOM 0 HA ASN A 86 4.485 13.893 19.535 1.00 60.23 H new ATOM 0 HB2 ASN A 86 3.457 12.513 22.032 1.00 0.42 H new ATOM 0 HB3 ASN A 86 4.650 13.793 22.136 1.00 0.42 H new ATOM 0 HD21 ASN A 86 0.769 14.651 20.926 1.00 44.51 H new ATOM 0 HD22 ASN A 86 1.421 13.015 20.779 1.00 44.51 H new ATOM 1389 N ASN A 87 5.846 11.340 21.152 1.00 14.43 N ATOM 1390 CA ASN A 87 7.105 10.645 21.391 1.00 2.44 C ATOM 1391 C ASN A 87 7.062 9.230 20.823 1.00 11.13 C ATOM 1392 O ASN A 87 6.935 8.246 21.552 1.00 61.33 O ATOM 1393 CB ASN A 87 7.408 10.596 22.890 1.00 0.23 C ATOM 1394 CG ASN A 87 8.763 9.983 23.187 1.00 40.14 C ATOM 1395 OD1 ASN A 87 9.481 9.567 22.277 1.00 12.10 O ATOM 1396 ND2 ASN A 87 9.119 9.924 24.465 1.00 51.34 N ATOM 0 H ASN A 87 5.055 10.973 21.681 1.00 14.43 H new ATOM 0 HA ASN A 87 7.897 11.196 20.885 1.00 2.44 H new ATOM 0 HB2 ASN A 87 7.372 11.606 23.298 1.00 0.23 H new ATOM 0 HB3 ASN A 87 6.633 10.020 23.396 1.00 0.23 H new ATOM 0 HD21 ASN A 87 10.019 9.522 24.726 1.00 51.34 H new ATOM 0 HD22 ASN A 87 8.492 10.281 25.186 1.00 51.34 H new ATOM 1403 N PRO A 88 7.170 9.124 19.491 1.00 64.14 N ATOM 1404 CA PRO A 88 7.148 7.834 18.795 1.00 74.12 C ATOM 1405 C PRO A 88 8.402 7.009 19.061 1.00 45.52 C ATOM 1406 O PRO A 88 8.483 5.841 18.680 1.00 41.41 O ATOM 1407 CB PRO A 88 7.070 8.229 17.318 1.00 63.21 C ATOM 1408 CG PRO A 88 7.673 9.590 17.258 1.00 71.13 C ATOM 1409 CD PRO A 88 7.324 10.255 18.560 1.00 2.14 C ATOM 0 HA PRO A 88 6.321 7.206 19.127 1.00 74.12 H new ATOM 0 HB2 PRO A 88 7.617 7.525 16.691 1.00 63.21 H new ATOM 0 HB3 PRO A 88 6.039 8.237 16.964 1.00 63.21 H new ATOM 0 HG2 PRO A 88 8.754 9.533 17.126 1.00 71.13 H new ATOM 0 HG3 PRO A 88 7.279 10.155 16.413 1.00 71.13 H new ATOM 0 HD2 PRO A 88 8.108 10.939 18.885 1.00 2.14 H new ATOM 0 HD3 PRO A 88 6.406 10.838 18.480 1.00 2.14 H new ATOM 1417 N LYS A 89 9.380 7.624 19.717 1.00 5.24 N ATOM 1418 CA LYS A 89 10.632 6.947 20.037 1.00 52.34 C ATOM 1419 C LYS A 89 10.843 6.877 21.546 1.00 74.33 C ATOM 1420 O LYS A 89 11.967 7.001 22.032 1.00 33.11 O ATOM 1421 CB LYS A 89 11.809 7.671 19.380 1.00 42.51 C ATOM 1422 CG LYS A 89 12.010 9.090 19.885 1.00 34.35 C ATOM 1423 CD LYS A 89 11.253 10.097 19.036 1.00 61.25 C ATOM 1424 CE LYS A 89 11.943 11.452 19.031 1.00 44.15 C ATOM 1425 NZ LYS A 89 11.193 12.454 18.224 1.00 33.12 N ATOM 0 H LYS A 89 9.330 8.591 20.038 1.00 5.24 H new ATOM 0 HA LYS A 89 10.576 5.930 19.648 1.00 52.34 H new ATOM 0 HB2 LYS A 89 12.720 7.099 19.556 1.00 42.51 H new ATOM 0 HB3 LYS A 89 11.652 7.697 18.302 1.00 42.51 H new ATOM 0 HG2 LYS A 89 11.674 9.160 20.920 1.00 34.35 H new ATOM 0 HG3 LYS A 89 13.073 9.333 19.878 1.00 34.35 H new ATOM 0 HD2 LYS A 89 11.172 9.725 18.015 1.00 61.25 H new ATOM 0 HD3 LYS A 89 10.238 10.206 19.417 1.00 61.25 H new ATOM 0 HE2 LYS A 89 12.043 11.812 20.055 1.00 44.15 H new ATOM 0 HE3 LYS A 89 12.951 11.345 18.631 1.00 44.15 H new ATOM 0 HZ1 LYS A 89 11.696 13.364 18.246 1.00 33.12 H new ATOM 0 HZ2 LYS A 89 11.119 12.123 17.241 1.00 33.12 H new ATOM 0 HZ3 LYS A 89 10.239 12.576 18.621 1.00 33.12 H new ATOM 1439 N VAL A 90 9.754 6.675 22.282 1.00 43.10 N ATOM 1440 CA VAL A 90 9.821 6.585 23.736 1.00 54.23 C ATOM 1441 C VAL A 90 10.678 5.403 24.175 1.00 52.34 C ATOM 1442 O VAL A 90 11.127 5.339 25.319 1.00 32.42 O ATOM 1443 CB VAL A 90 8.417 6.445 24.354 1.00 71.10 C ATOM 1444 CG1 VAL A 90 7.758 5.153 23.895 1.00 12.21 C ATOM 1445 CG2 VAL A 90 8.496 6.503 25.872 1.00 33.10 C ATOM 0 H VAL A 90 8.816 6.571 21.895 1.00 43.10 H new ATOM 0 HA VAL A 90 10.276 7.510 24.090 1.00 54.23 H new ATOM 0 HB VAL A 90 7.803 7.279 24.013 1.00 71.10 H new ATOM 0 HG11 VAL A 90 6.767 5.071 24.342 1.00 12.21 H new ATOM 0 HG12 VAL A 90 7.667 5.157 22.809 1.00 12.21 H new ATOM 0 HG13 VAL A 90 8.367 4.304 24.205 1.00 12.21 H new ATOM 0 HG21 VAL A 90 7.495 6.403 26.293 1.00 33.10 H new ATOM 0 HG22 VAL A 90 9.125 5.690 26.235 1.00 33.10 H new ATOM 0 HG23 VAL A 90 8.924 7.458 26.178 1.00 33.10 H new