USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 697 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 10 ASN :FLIP amide:sc= 0.824 F(o=-0.39,f=0.82) USER MOD Single : A 12 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.04) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0.112 X(o=0.11,f=-0.24) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.926 USER MOD Single : A 38 GLN : amide:sc= -2.24! C(o=-2.2!,f=-2.9!) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.226 K(o=-0.23,f=-1.8!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -0.508 F(o=-1.6,f=-0.51) USER MOD Single : A 49 LYS NZ :NH3+ -157:sc= 0.0556 (180deg=-1.23!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= 0.0894 (180deg=0.0558) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot -62:sc= 0.524 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot -112:sc= -3.36! USER MOD Single : A 66 THR OG1 : rot 49:sc= 0.243 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0488) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -39:sc= 0.191 USER MOD Single : A 80 LYS NZ :NH3+ -152:sc= -0.297 (180deg=-1.26) USER MOD Single : A 81 ASN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : B 122 GLN : amide:sc= 0.0776 X(o=0.078,f=0) USER MOD Single : B 124 LYS NZ :NH3+ -171:sc= 0.694 (180deg=0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -10.941 -8.109 3.238 1.00 23.00 N ATOM 2 CA ASN A 10 -9.671 -7.436 2.991 1.00 3.32 C ATOM 3 C ASN A 10 -9.433 -7.257 1.494 1.00 23.20 C ATOM 4 O ASN A 10 -8.804 -6.289 1.067 1.00 70.30 O ATOM 5 CB ASN A 10 -8.520 -8.230 3.611 1.00 43.30 C ATOM 6 CG ASN A 10 -8.328 -7.917 5.081 1.00 72.10 C ATOM 7 OD1 ASN A 10 -8.730 -8.845 5.941 1.00 11.40 O flip ATOM 8 ND2 ASN A 10 -7.824 -6.853 5.441 1.00 74.20 N flip ATOM 0 HA ASN A 10 -9.714 -6.450 3.455 1.00 3.32 H new ATOM 0 HB2 ASN A 10 -8.712 -9.296 3.491 1.00 43.30 H new ATOM 0 HB3 ASN A 10 -7.599 -8.010 3.072 1.00 43.30 H new ATOM 0 HD21 ASN A 10 -7.529 -6.167 4.746 1.00 74.20 H new ATOM 0 HD22 ASN A 10 -7.701 -6.657 6.434 1.00 74.20 H new ATOM 15 N LEU A 11 -9.935 -8.195 0.706 1.00 33.50 N ATOM 16 CA LEU A 11 -9.781 -8.143 -0.744 1.00 5.22 C ATOM 17 C LEU A 11 -10.472 -6.913 -1.322 1.00 14.50 C ATOM 18 O LEU A 11 -9.884 -6.171 -2.112 1.00 21.00 O ATOM 19 CB LEU A 11 -10.347 -9.409 -1.386 1.00 34.00 C ATOM 20 CG LEU A 11 -9.613 -9.877 -2.642 1.00 32.20 C ATOM 21 CD1 LEU A 11 -9.861 -11.360 -2.880 1.00 22.20 C ATOM 22 CD2 LEU A 11 -10.060 -9.066 -3.853 1.00 34.20 C ATOM 0 H LEU A 11 -10.454 -9.005 1.045 1.00 33.50 H new ATOM 0 HA LEU A 11 -8.716 -8.077 -0.967 1.00 5.22 H new ATOM 0 HB2 LEU A 11 -10.326 -10.213 -0.650 1.00 34.00 H new ATOM 0 HB3 LEU A 11 -11.393 -9.235 -1.638 1.00 34.00 H new ATOM 0 HG LEU A 11 -8.544 -9.722 -2.495 1.00 32.20 H new ATOM 0 HD11 LEU A 11 -9.332 -11.678 -3.778 1.00 22.20 H new ATOM 0 HD12 LEU A 11 -9.500 -11.931 -2.025 1.00 22.20 H new ATOM 0 HD13 LEU A 11 -10.929 -11.534 -3.008 1.00 22.20 H new ATOM 0 HD21 LEU A 11 -9.528 -9.412 -4.739 1.00 34.20 H new ATOM 0 HD22 LEU A 11 -11.132 -9.194 -4.001 1.00 34.20 H new ATOM 0 HD23 LEU A 11 -9.840 -8.012 -3.686 1.00 34.20 H new ATOM 34 N GLN A 12 -11.717 -6.695 -0.916 1.00 62.10 N ATOM 35 CA GLN A 12 -12.490 -5.555 -1.394 1.00 63.40 C ATOM 36 C GLN A 12 -11.886 -4.246 -0.903 1.00 72.20 C ATOM 37 O GLN A 12 -11.657 -3.319 -1.682 1.00 10.30 O ATOM 38 CB GLN A 12 -13.945 -5.664 -0.930 1.00 63.30 C ATOM 39 CG GLN A 12 -14.779 -6.621 -1.763 1.00 31.20 C ATOM 40 CD GLN A 12 -15.670 -5.902 -2.755 1.00 75.30 C ATOM 41 OE1 GLN A 12 -15.646 -6.190 -3.954 1.00 0.33 O ATOM 42 NE2 GLN A 12 -16.466 -4.960 -2.261 1.00 71.50 N ATOM 0 H GLN A 12 -12.214 -7.294 -0.256 1.00 62.10 H new ATOM 0 HA GLN A 12 -12.463 -5.562 -2.484 1.00 63.40 H new ATOM 0 HB2 GLN A 12 -13.962 -5.991 0.110 1.00 63.30 H new ATOM 0 HB3 GLN A 12 -14.402 -4.675 -0.961 1.00 63.30 H new ATOM 0 HG2 GLN A 12 -14.118 -7.301 -2.300 1.00 31.20 H new ATOM 0 HG3 GLN A 12 -15.395 -7.231 -1.102 1.00 31.20 H new ATOM 0 HE21 GLN A 12 -16.454 -4.754 -1.262 1.00 71.50 H new ATOM 0 HE22 GLN A 12 -17.090 -4.443 -2.881 1.00 71.50 H new ATOM 51 N LYS A 13 -11.622 -4.174 0.397 1.00 35.10 N ATOM 52 CA LYS A 13 -11.042 -2.977 0.993 1.00 2.41 C ATOM 53 C LYS A 13 -9.680 -2.668 0.379 1.00 42.10 C ATOM 54 O LYS A 13 -9.294 -1.506 0.254 1.00 22.10 O ATOM 55 CB LYS A 13 -10.902 -3.152 2.507 1.00 52.30 C ATOM 56 CG LYS A 13 -12.206 -3.516 3.199 1.00 41.20 C ATOM 57 CD LYS A 13 -13.207 -2.374 3.139 1.00 25.30 C ATOM 58 CE LYS A 13 -13.986 -2.246 4.438 1.00 11.10 C ATOM 59 NZ LYS A 13 -13.322 -1.321 5.397 1.00 52.40 N ATOM 0 H LYS A 13 -11.800 -4.930 1.058 1.00 35.10 H new ATOM 0 HA LYS A 13 -11.711 -2.141 0.790 1.00 2.41 H new ATOM 0 HB2 LYS A 13 -10.164 -3.929 2.708 1.00 52.30 H new ATOM 0 HB3 LYS A 13 -10.517 -2.227 2.938 1.00 52.30 H new ATOM 0 HG2 LYS A 13 -12.634 -4.401 2.728 1.00 41.20 H new ATOM 0 HG3 LYS A 13 -12.007 -3.773 4.240 1.00 41.20 H new ATOM 0 HD2 LYS A 13 -12.683 -1.440 2.934 1.00 25.30 H new ATOM 0 HD3 LYS A 13 -13.899 -2.539 2.313 1.00 25.30 H new ATOM 0 HE2 LYS A 13 -14.992 -1.885 4.224 1.00 11.10 H new ATOM 0 HE3 LYS A 13 -14.091 -3.229 4.896 1.00 11.10 H new ATOM 0 HZ1 LYS A 13 -13.885 -1.262 6.269 1.00 52.40 H new ATOM 0 HZ2 LYS A 13 -12.372 -1.678 5.622 1.00 52.40 H new ATOM 0 HZ3 LYS A 13 -13.245 -0.376 4.970 1.00 52.40 H new ATOM 73 N ALA A 14 -8.958 -3.717 -0.003 1.00 65.30 N ATOM 74 CA ALA A 14 -7.639 -3.557 -0.605 1.00 20.30 C ATOM 75 C ALA A 14 -7.722 -2.768 -1.907 1.00 12.10 C ATOM 76 O ALA A 14 -6.951 -1.835 -2.129 1.00 63.40 O ATOM 77 CB ALA A 14 -7.004 -4.917 -0.849 1.00 14.40 C ATOM 0 H ALA A 14 -9.264 -4.685 0.093 1.00 65.30 H new ATOM 0 HA ALA A 14 -7.014 -2.995 0.090 1.00 20.30 H new ATOM 0 HB1 ALA A 14 -6.020 -4.784 -1.299 1.00 14.40 H new ATOM 0 HB2 ALA A 14 -6.901 -5.446 0.099 1.00 14.40 H new ATOM 0 HB3 ALA A 14 -7.635 -5.498 -1.522 1.00 14.40 H new ATOM 83 N ILE A 15 -8.663 -3.148 -2.765 1.00 52.20 N ATOM 84 CA ILE A 15 -8.846 -2.477 -4.046 1.00 65.30 C ATOM 85 C ILE A 15 -9.462 -1.094 -3.857 1.00 10.20 C ATOM 86 O ILE A 15 -9.100 -0.144 -4.550 1.00 53.10 O ATOM 87 CB ILE A 15 -9.741 -3.298 -4.988 1.00 73.50 C ATOM 88 CG1 ILE A 15 -9.266 -4.752 -5.042 1.00 34.10 C ATOM 89 CG2 ILE A 15 -9.747 -2.686 -6.381 1.00 12.30 C ATOM 90 CD1 ILE A 15 -7.831 -4.901 -5.499 1.00 12.30 C ATOM 0 H ILE A 15 -9.311 -3.918 -2.596 1.00 52.20 H new ATOM 0 HA ILE A 15 -7.857 -2.376 -4.494 1.00 65.30 H new ATOM 0 HB ILE A 15 -10.760 -3.282 -4.601 1.00 73.50 H new ATOM 0 HG12 ILE A 15 -9.372 -5.198 -4.053 1.00 34.10 H new ATOM 0 HG13 ILE A 15 -9.914 -5.313 -5.716 1.00 34.10 H new ATOM 0 HG21 ILE A 15 -10.385 -3.279 -7.036 1.00 12.30 H new ATOM 0 HG22 ILE A 15 -10.128 -1.666 -6.329 1.00 12.30 H new ATOM 0 HG23 ILE A 15 -8.732 -2.674 -6.777 1.00 12.30 H new ATOM 0 HD11 ILE A 15 -7.562 -5.957 -5.514 1.00 12.30 H new ATOM 0 HD12 ILE A 15 -7.723 -4.485 -6.501 1.00 12.30 H new ATOM 0 HD13 ILE A 15 -7.173 -4.368 -4.812 1.00 12.30 H new ATOM 102 N ASP A 16 -10.392 -0.990 -2.915 1.00 43.10 N ATOM 103 CA ASP A 16 -11.058 0.277 -2.636 1.00 22.40 C ATOM 104 C ASP A 16 -10.105 1.255 -1.956 1.00 35.30 C ATOM 105 O ASP A 16 -10.115 2.451 -2.247 1.00 35.40 O ATOM 106 CB ASP A 16 -12.286 0.048 -1.752 1.00 44.10 C ATOM 107 CG ASP A 16 -13.311 1.157 -1.889 1.00 51.40 C ATOM 108 OD1 ASP A 16 -13.024 2.290 -1.449 1.00 50.20 O ATOM 109 OD2 ASP A 16 -14.400 0.894 -2.433 1.00 52.30 O ATOM 0 H ASP A 16 -10.702 -1.767 -2.332 1.00 43.10 H new ATOM 0 HA ASP A 16 -11.376 0.708 -3.585 1.00 22.40 H new ATOM 0 HB2 ASP A 16 -12.747 -0.904 -2.015 1.00 44.10 H new ATOM 0 HB3 ASP A 16 -11.972 -0.027 -0.711 1.00 44.10 H new ATOM 114 N LEU A 17 -9.281 0.737 -1.051 1.00 25.20 N ATOM 115 CA LEU A 17 -8.320 1.565 -0.330 1.00 2.50 C ATOM 116 C LEU A 17 -7.188 2.011 -1.251 1.00 74.40 C ATOM 117 O LEU A 17 -6.790 3.176 -1.242 1.00 14.00 O ATOM 118 CB LEU A 17 -7.750 0.798 0.864 1.00 34.20 C ATOM 119 CG LEU A 17 -8.690 0.678 2.065 1.00 71.30 C ATOM 120 CD1 LEU A 17 -8.202 -0.401 3.019 1.00 15.10 C ATOM 121 CD2 LEU A 17 -8.808 2.014 2.784 1.00 40.30 C ATOM 0 H LEU A 17 -9.259 -0.251 -0.799 1.00 25.20 H new ATOM 0 HA LEU A 17 -8.840 2.452 0.032 1.00 2.50 H new ATOM 0 HB2 LEU A 17 -7.476 -0.204 0.535 1.00 34.20 H new ATOM 0 HB3 LEU A 17 -6.833 1.290 1.188 1.00 34.20 H new ATOM 0 HG LEU A 17 -9.678 0.394 1.703 1.00 71.30 H new ATOM 0 HD11 LEU A 17 -8.883 -0.472 3.867 1.00 15.10 H new ATOM 0 HD12 LEU A 17 -8.169 -1.358 2.499 1.00 15.10 H new ATOM 0 HD13 LEU A 17 -7.204 -0.147 3.376 1.00 15.10 H new ATOM 0 HD21 LEU A 17 -9.480 1.911 3.636 1.00 40.30 H new ATOM 0 HD22 LEU A 17 -7.824 2.327 3.134 1.00 40.30 H new ATOM 0 HD23 LEU A 17 -9.204 2.763 2.098 1.00 40.30 H new ATOM 133 N ALA A 18 -6.673 1.076 -2.043 1.00 53.20 N ATOM 134 CA ALA A 18 -5.587 1.372 -2.968 1.00 62.10 C ATOM 135 C ALA A 18 -5.994 2.451 -3.965 1.00 31.10 C ATOM 136 O ALA A 18 -5.255 3.407 -4.198 1.00 33.20 O ATOM 137 CB ALA A 18 -5.158 0.109 -3.700 1.00 11.30 C ATOM 0 H ALA A 18 -6.991 0.107 -2.062 1.00 53.20 H new ATOM 0 HA ALA A 18 -4.743 1.748 -2.390 1.00 62.10 H new ATOM 0 HB1 ALA A 18 -4.346 0.345 -4.388 1.00 11.30 H new ATOM 0 HB2 ALA A 18 -4.817 -0.632 -2.977 1.00 11.30 H new ATOM 0 HB3 ALA A 18 -6.003 -0.292 -4.260 1.00 11.30 H new ATOM 143 N SER A 19 -7.175 2.291 -4.553 1.00 32.50 N ATOM 144 CA SER A 19 -7.683 3.252 -5.526 1.00 71.40 C ATOM 145 C SER A 19 -7.975 4.594 -4.863 1.00 12.20 C ATOM 146 O SER A 19 -7.847 5.647 -5.488 1.00 41.20 O ATOM 147 CB SER A 19 -8.948 2.713 -6.194 1.00 22.50 C ATOM 148 OG SER A 19 -8.639 2.029 -7.396 1.00 23.40 O ATOM 0 H SER A 19 -7.799 1.504 -4.373 1.00 32.50 H new ATOM 0 HA SER A 19 -6.916 3.402 -6.286 1.00 71.40 H new ATOM 0 HB2 SER A 19 -9.464 2.039 -5.511 1.00 22.50 H new ATOM 0 HB3 SER A 19 -9.630 3.536 -6.406 1.00 22.50 H new ATOM 0 HG SER A 19 -9.465 1.693 -7.803 1.00 23.40 H new ATOM 154 N LYS A 20 -8.368 4.548 -3.594 1.00 43.30 N ATOM 155 CA LYS A 20 -8.678 5.761 -2.846 1.00 54.30 C ATOM 156 C LYS A 20 -7.404 6.516 -2.480 1.00 63.10 C ATOM 157 O LYS A 20 -7.382 7.747 -2.470 1.00 71.00 O ATOM 158 CB LYS A 20 -9.463 5.417 -1.579 1.00 52.40 C ATOM 159 CG LYS A 20 -10.142 6.616 -0.939 1.00 13.10 C ATOM 160 CD LYS A 20 -11.469 6.232 -0.304 1.00 2.13 C ATOM 161 CE LYS A 20 -11.758 7.070 0.932 1.00 70.00 C ATOM 162 NZ LYS A 20 -13.218 7.173 1.203 1.00 73.00 N ATOM 0 H LYS A 20 -8.479 3.684 -3.063 1.00 43.30 H new ATOM 0 HA LYS A 20 -9.289 6.403 -3.481 1.00 54.30 H new ATOM 0 HB2 LYS A 20 -10.218 4.669 -1.821 1.00 52.40 H new ATOM 0 HB3 LYS A 20 -8.786 4.964 -0.854 1.00 52.40 H new ATOM 0 HG2 LYS A 20 -9.486 7.046 -0.182 1.00 13.10 H new ATOM 0 HG3 LYS A 20 -10.307 7.387 -1.692 1.00 13.10 H new ATOM 0 HD2 LYS A 20 -12.272 6.362 -1.029 1.00 2.13 H new ATOM 0 HD3 LYS A 20 -11.452 5.176 -0.033 1.00 2.13 H new ATOM 0 HE2 LYS A 20 -11.259 6.629 1.795 1.00 70.00 H new ATOM 0 HE3 LYS A 20 -11.342 8.069 0.799 1.00 70.00 H new ATOM 0 HZ1 LYS A 20 -13.373 7.752 2.053 1.00 73.00 H new ATOM 0 HZ2 LYS A 20 -13.691 7.617 0.390 1.00 73.00 H new ATOM 0 HZ3 LYS A 20 -13.611 6.222 1.355 1.00 73.00 H new ATOM 176 N ALA A 21 -6.347 5.770 -2.180 1.00 1.34 N ATOM 177 CA ALA A 21 -5.069 6.369 -1.813 1.00 31.20 C ATOM 178 C ALA A 21 -4.532 7.250 -2.936 1.00 12.10 C ATOM 179 O ALA A 21 -4.223 8.422 -2.725 1.00 71.20 O ATOM 180 CB ALA A 21 -4.060 5.286 -1.463 1.00 25.00 C ATOM 0 H ALA A 21 -6.350 4.750 -2.184 1.00 1.34 H new ATOM 0 HA ALA A 21 -5.230 6.998 -0.938 1.00 31.20 H new ATOM 0 HB1 ALA A 21 -3.111 5.747 -1.191 1.00 25.00 H new ATOM 0 HB2 ALA A 21 -4.432 4.700 -0.623 1.00 25.00 H new ATOM 0 HB3 ALA A 21 -3.913 4.634 -2.324 1.00 25.00 H new ATOM 186 N ALA A 22 -4.427 6.678 -4.130 1.00 12.30 N ATOM 187 CA ALA A 22 -3.928 7.411 -5.288 1.00 3.12 C ATOM 188 C ALA A 22 -4.875 8.544 -5.668 1.00 41.50 C ATOM 189 O ALA A 22 -4.445 9.579 -6.179 1.00 22.30 O ATOM 190 CB ALA A 22 -3.732 6.467 -6.465 1.00 21.50 C ATOM 0 H ALA A 22 -4.681 5.709 -4.322 1.00 12.30 H new ATOM 0 HA ALA A 22 -2.966 7.849 -5.024 1.00 3.12 H new ATOM 0 HB1 ALA A 22 -3.359 7.027 -7.323 1.00 21.50 H new ATOM 0 HB2 ALA A 22 -3.012 5.694 -6.196 1.00 21.50 H new ATOM 0 HB3 ALA A 22 -4.684 6.002 -6.721 1.00 21.50 H new ATOM 196 N GLN A 23 -6.163 8.342 -5.418 1.00 20.20 N ATOM 197 CA GLN A 23 -7.171 9.347 -5.734 1.00 10.40 C ATOM 198 C GLN A 23 -6.962 10.607 -4.902 1.00 42.50 C ATOM 199 O GLN A 23 -7.261 11.716 -5.349 1.00 33.30 O ATOM 200 CB GLN A 23 -8.574 8.788 -5.490 1.00 21.40 C ATOM 201 CG GLN A 23 -9.671 9.572 -6.191 1.00 54.10 C ATOM 202 CD GLN A 23 -10.436 10.478 -5.245 1.00 50.00 C ATOM 203 OE1 GLN A 23 -11.501 10.115 -4.745 1.00 2.40 O ATOM 204 NE2 GLN A 23 -9.895 11.665 -4.996 1.00 43.40 N ATOM 0 H GLN A 23 -6.535 7.491 -4.997 1.00 20.20 H new ATOM 0 HA GLN A 23 -7.070 9.608 -6.788 1.00 10.40 H new ATOM 0 HB2 GLN A 23 -8.607 7.752 -5.827 1.00 21.40 H new ATOM 0 HB3 GLN A 23 -8.772 8.781 -4.418 1.00 21.40 H new ATOM 0 HG2 GLN A 23 -9.231 10.173 -6.987 1.00 54.10 H new ATOM 0 HG3 GLN A 23 -10.365 8.876 -6.663 1.00 54.10 H new ATOM 0 HE21 GLN A 23 -9.010 11.924 -5.433 1.00 43.40 H new ATOM 0 HE22 GLN A 23 -10.364 12.318 -4.368 1.00 43.40 H new ATOM 213 N GLU A 24 -6.447 10.432 -3.689 1.00 41.40 N ATOM 214 CA GLU A 24 -6.198 11.557 -2.794 1.00 24.00 C ATOM 215 C GLU A 24 -4.914 12.283 -3.178 1.00 64.40 C ATOM 216 O GLU A 24 -4.806 13.500 -3.018 1.00 73.20 O ATOM 217 CB GLU A 24 -6.110 11.073 -1.345 1.00 13.40 C ATOM 218 CG GLU A 24 -7.461 10.952 -0.661 1.00 65.00 C ATOM 219 CD GLU A 24 -8.438 10.096 -1.444 1.00 43.20 C ATOM 220 OE1 GLU A 24 -8.792 10.486 -2.577 1.00 1.34 O ATOM 221 OE2 GLU A 24 -8.849 9.038 -0.924 1.00 12.20 O ATOM 0 H GLU A 24 -6.194 9.522 -3.303 1.00 41.40 H new ATOM 0 HA GLU A 24 -7.030 12.255 -2.887 1.00 24.00 H new ATOM 0 HB2 GLU A 24 -5.614 10.103 -1.324 1.00 13.40 H new ATOM 0 HB3 GLU A 24 -5.485 11.763 -0.778 1.00 13.40 H new ATOM 0 HG2 GLU A 24 -7.324 10.524 0.332 1.00 65.00 H new ATOM 0 HG3 GLU A 24 -7.885 11.947 -0.524 1.00 65.00 H new ATOM 228 N ASP A 25 -3.943 11.532 -3.687 1.00 14.40 N ATOM 229 CA ASP A 25 -2.666 12.106 -4.096 1.00 31.40 C ATOM 230 C ASP A 25 -2.865 13.160 -5.180 1.00 45.40 C ATOM 231 O ASP A 25 -2.292 14.247 -5.116 1.00 40.50 O ATOM 232 CB ASP A 25 -1.728 11.008 -4.601 1.00 61.00 C ATOM 233 CG ASP A 25 -0.352 11.538 -4.948 1.00 52.00 C ATOM 234 OD1 ASP A 25 -0.266 12.482 -5.761 1.00 71.40 O ATOM 235 OD2 ASP A 25 0.643 11.010 -4.407 1.00 24.40 O ATOM 0 H ASP A 25 -4.016 10.524 -3.826 1.00 14.40 H new ATOM 0 HA ASP A 25 -2.217 12.586 -3.227 1.00 31.40 H new ATOM 0 HB2 ASP A 25 -1.635 10.235 -3.839 1.00 61.00 H new ATOM 0 HB3 ASP A 25 -2.165 10.537 -5.481 1.00 61.00 H new ATOM 240 N LYS A 26 -3.681 12.830 -6.176 1.00 62.10 N ATOM 241 CA LYS A 26 -3.957 13.748 -7.274 1.00 61.20 C ATOM 242 C LYS A 26 -5.013 14.773 -6.874 1.00 74.30 C ATOM 243 O LYS A 26 -4.999 15.910 -7.346 1.00 41.20 O ATOM 244 CB LYS A 26 -4.422 12.974 -8.509 1.00 44.00 C ATOM 245 CG LYS A 26 -3.285 12.548 -9.424 1.00 24.20 C ATOM 246 CD LYS A 26 -3.092 13.530 -10.568 1.00 32.30 C ATOM 247 CE LYS A 26 -1.979 13.087 -11.493 1.00 54.00 C ATOM 248 NZ LYS A 26 -0.648 13.581 -11.043 1.00 11.50 N ATOM 0 H LYS A 26 -4.162 11.933 -6.245 1.00 62.10 H new ATOM 0 HA LYS A 26 -3.035 14.278 -7.512 1.00 61.20 H new ATOM 0 HB2 LYS A 26 -4.970 12.088 -8.187 1.00 44.00 H new ATOM 0 HB3 LYS A 26 -5.120 13.593 -9.074 1.00 44.00 H new ATOM 0 HG2 LYS A 26 -2.362 12.473 -8.848 1.00 24.20 H new ATOM 0 HG3 LYS A 26 -3.492 11.556 -9.826 1.00 24.20 H new ATOM 0 HD2 LYS A 26 -4.021 13.622 -11.131 1.00 32.30 H new ATOM 0 HD3 LYS A 26 -2.863 14.518 -10.167 1.00 32.30 H new ATOM 0 HE2 LYS A 26 -1.963 11.998 -11.545 1.00 54.00 H new ATOM 0 HE3 LYS A 26 -2.179 13.451 -12.501 1.00 54.00 H new ATOM 0 HZ1 LYS A 26 0.085 13.255 -11.705 1.00 11.50 H new ATOM 0 HZ2 LYS A 26 -0.654 14.621 -11.018 1.00 11.50 H new ATOM 0 HZ3 LYS A 26 -0.445 13.213 -10.092 1.00 11.50 H new ATOM 262 N ALA A 27 -5.928 14.362 -6.001 1.00 42.40 N ATOM 263 CA ALA A 27 -6.991 15.245 -5.537 1.00 71.00 C ATOM 264 C ALA A 27 -6.420 16.471 -4.834 1.00 54.40 C ATOM 265 O ALA A 27 -6.614 17.602 -5.279 1.00 41.00 O ATOM 266 CB ALA A 27 -7.933 14.493 -4.610 1.00 21.30 C ATOM 0 H ALA A 27 -5.954 13.424 -5.601 1.00 42.40 H new ATOM 0 HA ALA A 27 -7.551 15.587 -6.407 1.00 71.00 H new ATOM 0 HB1 ALA A 27 -8.722 15.164 -4.271 1.00 21.30 H new ATOM 0 HB2 ALA A 27 -8.376 13.653 -5.145 1.00 21.30 H new ATOM 0 HB3 ALA A 27 -7.377 14.122 -3.749 1.00 21.30 H new ATOM 272 N GLY A 28 -5.714 16.240 -3.732 1.00 62.50 N ATOM 273 CA GLY A 28 -5.126 17.335 -2.985 1.00 42.10 C ATOM 274 C GLY A 28 -4.765 16.944 -1.564 1.00 45.40 C ATOM 275 O GLY A 28 -3.846 17.510 -0.972 1.00 62.30 O ATOM 0 H GLY A 28 -5.539 15.313 -3.343 1.00 62.50 H new ATOM 0 HA2 GLY A 28 -4.231 17.683 -3.501 1.00 42.10 H new ATOM 0 HA3 GLY A 28 -5.825 18.171 -2.962 1.00 42.10 H new ATOM 279 N ASN A 29 -5.490 15.974 -1.017 1.00 62.40 N ATOM 280 CA ASN A 29 -5.241 15.509 0.342 1.00 65.50 C ATOM 281 C ASN A 29 -4.053 14.553 0.382 1.00 20.20 C ATOM 282 O ASN A 29 -4.212 13.343 0.220 1.00 4.32 O ATOM 283 CB ASN A 29 -6.486 14.819 0.903 1.00 33.40 C ATOM 284 CG ASN A 29 -7.696 15.733 0.921 1.00 23.20 C ATOM 285 OD1 ASN A 29 -7.800 16.627 1.762 1.00 42.00 O ATOM 286 ND2 ASN A 29 -8.617 15.514 -0.009 1.00 24.40 N ATOM 0 H ASN A 29 -6.254 15.495 -1.494 1.00 62.40 H new ATOM 0 HA ASN A 29 -5.006 16.376 0.959 1.00 65.50 H new ATOM 0 HB2 ASN A 29 -6.710 13.936 0.304 1.00 33.40 H new ATOM 0 HB3 ASN A 29 -6.281 14.473 1.916 1.00 33.40 H new ATOM 0 HD21 ASN A 29 -9.452 16.098 -0.047 1.00 24.40 H new ATOM 0 HD22 ASN A 29 -8.489 14.762 -0.686 1.00 24.40 H new ATOM 293 N TYR A 30 -2.864 15.104 0.599 1.00 11.30 N ATOM 294 CA TYR A 30 -1.648 14.300 0.660 1.00 45.10 C ATOM 295 C TYR A 30 -1.660 13.391 1.885 1.00 23.40 C ATOM 296 O TYR A 30 -1.470 12.180 1.773 1.00 72.30 O ATOM 297 CB TYR A 30 -0.415 15.203 0.692 1.00 32.40 C ATOM 298 CG TYR A 30 -0.306 16.121 -0.505 1.00 55.40 C ATOM 299 CD1 TYR A 30 -0.571 15.656 -1.786 1.00 23.00 C ATOM 300 CD2 TYR A 30 0.062 17.452 -0.351 1.00 31.40 C ATOM 301 CE1 TYR A 30 -0.472 16.493 -2.882 1.00 52.30 C ATOM 302 CE2 TYR A 30 0.162 18.294 -1.442 1.00 51.40 C ATOM 303 CZ TYR A 30 -0.106 17.810 -2.705 1.00 15.10 C ATOM 304 OH TYR A 30 -0.006 18.644 -3.794 1.00 12.20 O ATOM 0 H TYR A 30 -2.716 16.104 0.736 1.00 11.30 H new ATOM 0 HA TYR A 30 -1.608 13.677 -0.233 1.00 45.10 H new ATOM 0 HB2 TYR A 30 -0.439 15.805 1.600 1.00 32.40 H new ATOM 0 HB3 TYR A 30 0.479 14.582 0.745 1.00 32.40 H new ATOM 0 HD1 TYR A 30 -0.859 14.625 -1.929 1.00 23.00 H new ATOM 0 HD2 TYR A 30 0.273 17.834 0.637 1.00 31.40 H new ATOM 0 HE1 TYR A 30 -0.681 16.116 -3.873 1.00 52.30 H new ATOM 0 HE2 TYR A 30 0.449 19.326 -1.306 1.00 51.40 H new ATOM 0 HH TYR A 30 0.261 19.539 -3.497 1.00 12.20 H new ATOM 314 N GLU A 31 -1.884 13.984 3.053 1.00 24.10 N ATOM 315 CA GLU A 31 -1.921 13.229 4.300 1.00 13.30 C ATOM 316 C GLU A 31 -2.993 12.144 4.246 1.00 65.00 C ATOM 317 O GLU A 31 -2.853 11.087 4.859 1.00 43.50 O ATOM 318 CB GLU A 31 -2.184 14.165 5.480 1.00 41.40 C ATOM 319 CG GLU A 31 -1.433 13.778 6.743 1.00 52.10 C ATOM 320 CD GLU A 31 -2.007 14.430 7.986 1.00 24.20 C ATOM 321 OE1 GLU A 31 -2.283 15.647 7.945 1.00 41.20 O ATOM 322 OE2 GLU A 31 -2.182 13.722 9.000 1.00 14.30 O ATOM 0 H GLU A 31 -2.043 14.986 3.162 1.00 24.10 H new ATOM 0 HA GLU A 31 -0.951 12.750 4.436 1.00 13.30 H new ATOM 0 HB2 GLU A 31 -1.904 15.180 5.197 1.00 41.40 H new ATOM 0 HB3 GLU A 31 -3.253 14.177 5.692 1.00 41.40 H new ATOM 0 HG2 GLU A 31 -1.460 12.695 6.860 1.00 52.10 H new ATOM 0 HG3 GLU A 31 -0.385 14.061 6.640 1.00 52.10 H new ATOM 329 N GLU A 32 -4.063 12.414 3.504 1.00 40.40 N ATOM 330 CA GLU A 32 -5.159 11.463 3.368 1.00 40.10 C ATOM 331 C GLU A 32 -4.749 10.290 2.483 1.00 31.40 C ATOM 332 O GLU A 32 -5.155 9.151 2.718 1.00 22.40 O ATOM 333 CB GLU A 32 -6.390 12.154 2.780 1.00 52.50 C ATOM 334 CG GLU A 32 -7.606 11.248 2.678 1.00 24.40 C ATOM 335 CD GLU A 32 -8.364 11.140 3.987 1.00 3.25 C ATOM 336 OE1 GLU A 32 -7.952 10.332 4.846 1.00 73.20 O ATOM 337 OE2 GLU A 32 -9.368 11.863 4.153 1.00 13.00 O ATOM 0 H GLU A 32 -4.193 13.284 2.988 1.00 40.40 H new ATOM 0 HA GLU A 32 -5.404 11.081 4.359 1.00 40.10 H new ATOM 0 HB2 GLU A 32 -6.641 13.017 3.397 1.00 52.50 H new ATOM 0 HB3 GLU A 32 -6.145 12.532 1.787 1.00 52.50 H new ATOM 0 HG2 GLU A 32 -8.274 11.629 1.906 1.00 24.40 H new ATOM 0 HG3 GLU A 32 -7.289 10.254 2.363 1.00 24.40 H new ATOM 344 N ALA A 33 -3.943 10.576 1.467 1.00 41.30 N ATOM 345 CA ALA A 33 -3.477 9.545 0.547 1.00 1.32 C ATOM 346 C ALA A 33 -2.453 8.635 1.216 1.00 74.30 C ATOM 347 O ALA A 33 -2.392 7.439 0.934 1.00 13.40 O ATOM 348 CB ALA A 33 -2.884 10.182 -0.701 1.00 42.20 C ATOM 0 H ALA A 33 -3.599 11.513 1.259 1.00 41.30 H new ATOM 0 HA ALA A 33 -4.333 8.935 0.259 1.00 1.32 H new ATOM 0 HB1 ALA A 33 -2.540 9.401 -1.380 1.00 42.20 H new ATOM 0 HB2 ALA A 33 -3.644 10.785 -1.198 1.00 42.20 H new ATOM 0 HB3 ALA A 33 -2.043 10.816 -0.421 1.00 42.20 H new ATOM 354 N LEU A 34 -1.650 9.211 2.105 1.00 73.40 N ATOM 355 CA LEU A 34 -0.627 8.452 2.816 1.00 74.50 C ATOM 356 C LEU A 34 -1.260 7.377 3.694 1.00 34.50 C ATOM 357 O LEU A 34 -0.909 6.201 3.604 1.00 41.20 O ATOM 358 CB LEU A 34 0.229 9.388 3.671 1.00 24.50 C ATOM 359 CG LEU A 34 1.705 8.998 3.777 1.00 64.30 C ATOM 360 CD1 LEU A 34 1.846 7.569 4.276 1.00 2.44 C ATOM 361 CD2 LEU A 34 2.397 9.167 2.433 1.00 65.20 C ATOM 0 H LEU A 34 -1.688 10.200 2.350 1.00 73.40 H new ATOM 0 HA LEU A 34 0.009 7.964 2.077 1.00 74.50 H new ATOM 0 HB2 LEU A 34 0.163 10.395 3.258 1.00 24.50 H new ATOM 0 HB3 LEU A 34 -0.194 9.427 4.675 1.00 24.50 H new ATOM 0 HG LEU A 34 2.186 9.660 4.497 1.00 64.30 H new ATOM 0 HD11 LEU A 34 2.903 7.310 4.345 1.00 2.44 H new ATOM 0 HD12 LEU A 34 1.386 7.480 5.260 1.00 2.44 H new ATOM 0 HD13 LEU A 34 1.351 6.891 3.581 1.00 2.44 H new ATOM 0 HD21 LEU A 34 3.446 8.885 2.526 1.00 65.20 H new ATOM 0 HD22 LEU A 34 1.914 8.529 1.692 1.00 65.20 H new ATOM 0 HD23 LEU A 34 2.327 10.208 2.116 1.00 65.20 H new ATOM 373 N GLN A 35 -2.195 7.790 4.545 1.00 10.50 N ATOM 374 CA GLN A 35 -2.877 6.863 5.439 1.00 5.41 C ATOM 375 C GLN A 35 -3.616 5.788 4.648 1.00 24.10 C ATOM 376 O GLN A 35 -3.665 4.627 5.056 1.00 52.10 O ATOM 377 CB GLN A 35 -3.859 7.617 6.338 1.00 74.20 C ATOM 378 CG GLN A 35 -3.210 8.229 7.568 1.00 12.20 C ATOM 379 CD GLN A 35 -3.347 7.351 8.797 1.00 22.00 C ATOM 380 OE1 GLN A 35 -4.455 7.006 9.207 1.00 60.50 O ATOM 381 NE2 GLN A 35 -2.217 6.985 9.391 1.00 14.10 N ATOM 0 H GLN A 35 -2.497 8.760 4.633 1.00 10.50 H new ATOM 0 HA GLN A 35 -2.125 6.378 6.061 1.00 5.41 H new ATOM 0 HB2 GLN A 35 -4.336 8.407 5.758 1.00 74.20 H new ATOM 0 HB3 GLN A 35 -4.647 6.934 6.655 1.00 74.20 H new ATOM 0 HG2 GLN A 35 -2.153 8.405 7.367 1.00 12.20 H new ATOM 0 HG3 GLN A 35 -3.662 9.200 7.768 1.00 12.20 H new ATOM 0 HE21 GLN A 35 -1.320 7.295 9.016 1.00 14.10 H new ATOM 0 HE22 GLN A 35 -2.246 6.394 10.222 1.00 14.10 H new ATOM 390 N LEU A 36 -4.189 6.182 3.516 1.00 64.10 N ATOM 391 CA LEU A 36 -4.925 5.252 2.668 1.00 63.50 C ATOM 392 C LEU A 36 -3.973 4.309 1.939 1.00 72.00 C ATOM 393 O LEU A 36 -4.308 3.154 1.676 1.00 4.31 O ATOM 394 CB LEU A 36 -5.777 6.018 1.655 1.00 51.20 C ATOM 395 CG LEU A 36 -6.948 6.800 2.252 1.00 21.50 C ATOM 396 CD1 LEU A 36 -7.462 7.833 1.262 1.00 74.30 C ATOM 397 CD2 LEU A 36 -8.066 5.851 2.663 1.00 15.20 C ATOM 0 H LEU A 36 -4.158 7.139 3.165 1.00 64.10 H new ATOM 0 HA LEU A 36 -5.578 4.657 3.306 1.00 63.50 H new ATOM 0 HB2 LEU A 36 -5.134 6.713 1.115 1.00 51.20 H new ATOM 0 HB3 LEU A 36 -6.168 5.311 0.924 1.00 51.20 H new ATOM 0 HG LEU A 36 -6.595 7.324 3.140 1.00 21.50 H new ATOM 0 HD11 LEU A 36 -8.295 8.379 1.705 1.00 74.30 H new ATOM 0 HD12 LEU A 36 -6.661 8.530 1.015 1.00 74.30 H new ATOM 0 HD13 LEU A 36 -7.799 7.331 0.355 1.00 74.30 H new ATOM 0 HD21 LEU A 36 -8.892 6.423 3.086 1.00 15.20 H new ATOM 0 HD22 LEU A 36 -8.416 5.301 1.789 1.00 15.20 H new ATOM 0 HD23 LEU A 36 -7.692 5.149 3.408 1.00 15.20 H new ATOM 409 N TYR A 37 -2.785 4.810 1.618 1.00 43.30 N ATOM 410 CA TYR A 37 -1.783 4.012 0.919 1.00 40.20 C ATOM 411 C TYR A 37 -1.374 2.802 1.753 1.00 65.40 C ATOM 412 O TYR A 37 -1.355 1.674 1.259 1.00 33.10 O ATOM 413 CB TYR A 37 -0.554 4.865 0.600 1.00 74.00 C ATOM 414 CG TYR A 37 -0.629 5.557 -0.743 1.00 71.40 C ATOM 415 CD1 TYR A 37 -1.045 4.871 -1.877 1.00 55.50 C ATOM 416 CD2 TYR A 37 -0.282 6.895 -0.876 1.00 33.40 C ATOM 417 CE1 TYR A 37 -1.114 5.499 -3.106 1.00 20.30 C ATOM 418 CE2 TYR A 37 -0.348 7.531 -2.101 1.00 41.10 C ATOM 419 CZ TYR A 37 -0.765 6.829 -3.213 1.00 62.20 C ATOM 420 OH TYR A 37 -0.833 7.459 -4.435 1.00 43.00 O ATOM 0 H TYR A 37 -2.492 5.764 1.830 1.00 43.30 H new ATOM 0 HA TYR A 37 -2.222 3.657 -0.013 1.00 40.20 H new ATOM 0 HB2 TYR A 37 -0.431 5.616 1.380 1.00 74.00 H new ATOM 0 HB3 TYR A 37 0.333 4.232 0.624 1.00 74.00 H new ATOM 0 HD1 TYR A 37 -1.319 3.829 -1.797 1.00 55.50 H new ATOM 0 HD2 TYR A 37 0.045 7.448 -0.008 1.00 33.40 H new ATOM 0 HE1 TYR A 37 -1.439 4.951 -3.978 1.00 20.30 H new ATOM 0 HE2 TYR A 37 -0.075 8.572 -2.187 1.00 41.10 H new ATOM 0 HH TYR A 37 -0.554 8.393 -4.337 1.00 43.00 H new ATOM 430 N GLN A 38 -1.046 3.045 3.017 1.00 20.20 N ATOM 431 CA GLN A 38 -0.637 1.975 3.920 1.00 1.40 C ATOM 432 C GLN A 38 -1.778 0.988 4.145 1.00 74.30 C ATOM 433 O GLN A 38 -1.575 -0.227 4.120 1.00 65.10 O ATOM 434 CB GLN A 38 -0.176 2.555 5.258 1.00 2.45 C ATOM 435 CG GLN A 38 1.055 3.440 5.145 1.00 50.10 C ATOM 436 CD GLN A 38 1.230 4.349 6.346 1.00 72.30 C ATOM 437 OE1 GLN A 38 1.859 3.976 7.336 1.00 60.10 O ATOM 438 NE2 GLN A 38 0.673 5.552 6.263 1.00 21.00 N ATOM 0 H GLN A 38 -1.055 3.973 3.440 1.00 20.20 H new ATOM 0 HA GLN A 38 0.195 1.442 3.459 1.00 1.40 H new ATOM 0 HB2 GLN A 38 -0.991 3.134 5.694 1.00 2.45 H new ATOM 0 HB3 GLN A 38 0.037 1.736 5.945 1.00 2.45 H new ATOM 0 HG2 GLN A 38 1.940 2.813 5.036 1.00 50.10 H new ATOM 0 HG3 GLN A 38 0.981 4.046 4.242 1.00 50.10 H new ATOM 0 HE21 GLN A 38 0.160 5.820 5.423 1.00 21.00 H new ATOM 0 HE22 GLN A 38 0.758 6.208 7.039 1.00 21.00 H new ATOM 447 N HIS A 39 -2.976 1.516 4.367 1.00 73.10 N ATOM 448 CA HIS A 39 -4.150 0.682 4.598 1.00 11.40 C ATOM 449 C HIS A 39 -4.414 -0.227 3.403 1.00 45.10 C ATOM 450 O HIS A 39 -4.834 -1.373 3.562 1.00 54.20 O ATOM 451 CB HIS A 39 -5.376 1.554 4.873 1.00 24.10 C ATOM 452 CG HIS A 39 -5.518 1.952 6.309 1.00 74.10 C ATOM 453 ND1 HIS A 39 -6.722 1.928 6.981 1.00 32.20 N ATOM 454 CD2 HIS A 39 -4.598 2.384 7.204 1.00 24.20 C ATOM 455 CE1 HIS A 39 -6.537 2.330 8.226 1.00 1.33 C ATOM 456 NE2 HIS A 39 -5.257 2.612 8.387 1.00 12.30 N ATOM 0 H HIS A 39 -3.160 2.519 4.392 1.00 73.10 H new ATOM 0 HA HIS A 39 -3.956 0.058 5.470 1.00 11.40 H new ATOM 0 HB2 HIS A 39 -5.317 2.453 4.260 1.00 24.10 H new ATOM 0 HB3 HIS A 39 -6.272 1.015 4.564 1.00 24.10 H new ATOM 0 HD2 HIS A 39 -3.543 2.523 7.021 1.00 24.20 H new ATOM 0 HE1 HIS A 39 -7.302 2.414 8.983 1.00 1.33 H new ATOM 0 HE2 HIS A 39 -4.827 2.945 9.250 1.00 12.30 H new ATOM 465 N ALA A 40 -4.168 0.293 2.204 1.00 40.20 N ATOM 466 CA ALA A 40 -4.380 -0.471 0.982 1.00 41.30 C ATOM 467 C ALA A 40 -3.254 -1.475 0.760 1.00 3.41 C ATOM 468 O ALA A 40 -3.501 -2.658 0.527 1.00 21.00 O ATOM 469 CB ALA A 40 -4.497 0.466 -0.212 1.00 53.20 C ATOM 0 H ALA A 40 -3.822 1.241 2.054 1.00 40.20 H new ATOM 0 HA ALA A 40 -5.312 -1.027 1.087 1.00 41.30 H new ATOM 0 HB1 ALA A 40 -4.655 -0.118 -1.119 1.00 53.20 H new ATOM 0 HB2 ALA A 40 -5.340 1.141 -0.064 1.00 53.20 H new ATOM 0 HB3 ALA A 40 -3.580 1.047 -0.310 1.00 53.20 H new ATOM 475 N VAL A 41 -2.017 -0.995 0.832 1.00 44.20 N ATOM 476 CA VAL A 41 -0.853 -1.851 0.639 1.00 55.20 C ATOM 477 C VAL A 41 -0.787 -2.936 1.709 1.00 24.40 C ATOM 478 O VAL A 41 -0.435 -4.080 1.424 1.00 52.40 O ATOM 479 CB VAL A 41 0.456 -1.036 0.670 1.00 64.00 C ATOM 480 CG1 VAL A 41 1.644 -1.918 0.317 1.00 42.30 C ATOM 481 CG2 VAL A 41 0.368 0.154 -0.275 1.00 45.00 C ATOM 0 H VAL A 41 -1.795 -0.018 1.023 1.00 44.20 H new ATOM 0 HA VAL A 41 -0.960 -2.315 -0.341 1.00 55.20 H new ATOM 0 HB VAL A 41 0.602 -0.658 1.682 1.00 64.00 H new ATOM 0 HG11 VAL A 41 2.558 -1.325 0.344 1.00 42.30 H new ATOM 0 HG12 VAL A 41 1.719 -2.733 1.037 1.00 42.30 H new ATOM 0 HG13 VAL A 41 1.508 -2.329 -0.683 1.00 42.30 H new ATOM 0 HG21 VAL A 41 1.301 0.717 -0.239 1.00 45.00 H new ATOM 0 HG22 VAL A 41 0.197 -0.200 -1.291 1.00 45.00 H new ATOM 0 HG23 VAL A 41 -0.457 0.799 0.028 1.00 45.00 H new ATOM 491 N GLN A 42 -1.130 -2.569 2.939 1.00 43.10 N ATOM 492 CA GLN A 42 -1.110 -3.512 4.051 1.00 41.40 C ATOM 493 C GLN A 42 -2.174 -4.591 3.869 1.00 53.10 C ATOM 494 O GLN A 42 -1.958 -5.752 4.214 1.00 75.30 O ATOM 495 CB GLN A 42 -1.334 -2.777 5.374 1.00 74.30 C ATOM 496 CG GLN A 42 -0.167 -1.895 5.785 1.00 25.10 C ATOM 497 CD GLN A 42 -0.547 -0.883 6.849 1.00 43.10 C ATOM 498 OE1 GLN A 42 -1.727 -0.608 7.065 1.00 53.00 O ATOM 499 NE2 GLN A 42 0.454 -0.323 7.518 1.00 10.50 N ATOM 0 H GLN A 42 -1.425 -1.626 3.191 1.00 43.10 H new ATOM 0 HA GLN A 42 -0.131 -3.992 4.071 1.00 41.40 H new ATOM 0 HB2 GLN A 42 -2.231 -2.163 5.292 1.00 74.30 H new ATOM 0 HB3 GLN A 42 -1.520 -3.509 6.160 1.00 74.30 H new ATOM 0 HG2 GLN A 42 0.643 -2.521 6.158 1.00 25.10 H new ATOM 0 HG3 GLN A 42 0.213 -1.370 4.909 1.00 25.10 H new ATOM 0 HE21 GLN A 42 1.417 -0.582 7.305 1.00 10.50 H new ATOM 0 HE22 GLN A 42 0.259 0.366 8.245 1.00 10.50 H new ATOM 508 N TYR A 43 -3.320 -4.199 3.325 1.00 4.23 N ATOM 509 CA TYR A 43 -4.417 -5.132 3.097 1.00 43.50 C ATOM 510 C TYR A 43 -4.103 -6.066 1.934 1.00 51.20 C ATOM 511 O TYR A 43 -4.500 -7.232 1.936 1.00 43.20 O ATOM 512 CB TYR A 43 -5.715 -4.371 2.822 1.00 25.40 C ATOM 513 CG TYR A 43 -6.466 -3.980 4.074 1.00 35.30 C ATOM 514 CD1 TYR A 43 -5.803 -3.418 5.158 1.00 54.40 C ATOM 515 CD2 TYR A 43 -7.838 -4.173 4.173 1.00 41.40 C ATOM 516 CE1 TYR A 43 -6.487 -3.060 6.304 1.00 11.10 C ATOM 517 CE2 TYR A 43 -8.529 -3.816 5.315 1.00 1.41 C ATOM 518 CZ TYR A 43 -7.848 -3.261 6.378 1.00 23.20 C ATOM 519 OH TYR A 43 -8.532 -2.906 7.518 1.00 72.10 O ATOM 0 H TYR A 43 -3.514 -3.241 3.033 1.00 4.23 H new ATOM 0 HA TYR A 43 -4.543 -5.733 3.998 1.00 43.50 H new ATOM 0 HB2 TYR A 43 -5.485 -3.471 2.251 1.00 25.40 H new ATOM 0 HB3 TYR A 43 -6.362 -4.987 2.198 1.00 25.40 H new ATOM 0 HD1 TYR A 43 -4.736 -3.258 5.104 1.00 54.40 H new ATOM 0 HD2 TYR A 43 -8.374 -4.610 3.343 1.00 41.40 H new ATOM 0 HE1 TYR A 43 -5.957 -2.624 7.138 1.00 11.10 H new ATOM 0 HE2 TYR A 43 -9.596 -3.971 5.375 1.00 1.41 H new ATOM 0 HH TYR A 43 -9.483 -3.113 7.406 1.00 72.10 H new ATOM 529 N PHE A 44 -3.391 -5.546 0.941 1.00 21.10 N ATOM 530 CA PHE A 44 -3.022 -6.331 -0.229 1.00 42.10 C ATOM 531 C PHE A 44 -2.199 -7.552 0.170 1.00 32.30 C ATOM 532 O PHE A 44 -2.527 -8.681 -0.196 1.00 31.30 O ATOM 533 CB PHE A 44 -2.233 -5.467 -1.214 1.00 14.00 C ATOM 534 CG PHE A 44 -3.053 -4.972 -2.371 1.00 62.30 C ATOM 535 CD1 PHE A 44 -3.825 -5.849 -3.115 1.00 11.30 C ATOM 536 CD2 PHE A 44 -3.051 -3.629 -2.714 1.00 12.40 C ATOM 537 CE1 PHE A 44 -4.582 -5.396 -4.179 1.00 55.10 C ATOM 538 CE2 PHE A 44 -3.806 -3.171 -3.777 1.00 21.50 C ATOM 539 CZ PHE A 44 -4.572 -4.056 -4.511 1.00 45.20 C ATOM 0 H PHE A 44 -3.058 -4.582 0.924 1.00 21.10 H new ATOM 0 HA PHE A 44 -3.937 -6.677 -0.709 1.00 42.10 H new ATOM 0 HB2 PHE A 44 -1.817 -4.611 -0.682 1.00 14.00 H new ATOM 0 HB3 PHE A 44 -1.391 -6.044 -1.597 1.00 14.00 H new ATOM 0 HD1 PHE A 44 -3.836 -6.899 -2.861 1.00 11.30 H new ATOM 0 HD2 PHE A 44 -2.453 -2.933 -2.144 1.00 12.40 H new ATOM 0 HE1 PHE A 44 -5.181 -6.090 -4.750 1.00 55.10 H new ATOM 0 HE2 PHE A 44 -3.797 -2.122 -4.034 1.00 21.50 H new ATOM 0 HZ PHE A 44 -5.162 -3.700 -5.343 1.00 45.20 H new ATOM 549 N LEU A 45 -1.129 -7.318 0.923 1.00 11.10 N ATOM 550 CA LEU A 45 -0.259 -8.399 1.372 1.00 64.50 C ATOM 551 C LEU A 45 -0.968 -9.276 2.400 1.00 64.20 C ATOM 552 O LEU A 45 -0.701 -10.474 2.497 1.00 75.20 O ATOM 553 CB LEU A 45 1.028 -7.830 1.972 1.00 24.30 C ATOM 554 CG LEU A 45 2.151 -7.570 0.966 1.00 55.40 C ATOM 555 CD1 LEU A 45 3.397 -7.065 1.676 1.00 40.40 C ATOM 556 CD2 LEU A 45 2.461 -8.834 0.177 1.00 23.40 C ATOM 0 H LEU A 45 -0.844 -6.390 1.235 1.00 11.10 H new ATOM 0 HA LEU A 45 -0.008 -9.013 0.507 1.00 64.50 H new ATOM 0 HB2 LEU A 45 0.792 -6.895 2.480 1.00 24.30 H new ATOM 0 HB3 LEU A 45 1.394 -8.521 2.731 1.00 24.30 H new ATOM 0 HG LEU A 45 1.818 -6.801 0.269 1.00 55.40 H new ATOM 0 HD11 LEU A 45 4.185 -6.886 0.945 1.00 40.40 H new ATOM 0 HD12 LEU A 45 3.167 -6.136 2.197 1.00 40.40 H new ATOM 0 HD13 LEU A 45 3.733 -7.811 2.396 1.00 40.40 H new ATOM 0 HD21 LEU A 45 3.262 -8.632 -0.534 1.00 23.40 H new ATOM 0 HD22 LEU A 45 2.774 -9.623 0.861 1.00 23.40 H new ATOM 0 HD23 LEU A 45 1.569 -9.154 -0.362 1.00 23.40 H new ATOM 568 N HIS A 46 -1.872 -8.673 3.164 1.00 50.50 N ATOM 569 CA HIS A 46 -2.618 -9.400 4.185 1.00 23.00 C ATOM 570 C HIS A 46 -3.413 -10.546 3.565 1.00 52.30 C ATOM 571 O HIS A 46 -3.352 -11.682 4.034 1.00 33.10 O ATOM 572 CB HIS A 46 -3.562 -8.453 4.929 1.00 75.20 C ATOM 573 CG HIS A 46 -4.316 -9.112 6.041 1.00 5.24 C ATOM 574 ND1 HIS A 46 -5.066 -10.240 6.059 1.00 75.10 N flip ATOM 575 CD2 HIS A 46 -4.353 -8.610 7.325 1.00 15.00 C flip ATOM 576 CE1 HIS A 46 -5.536 -10.396 7.340 1.00 13.10 C flip ATOM 577 NE2 HIS A 46 -5.093 -9.401 8.084 1.00 31.30 N flip ATOM 0 H HIS A 46 -2.106 -7.683 3.096 1.00 50.50 H new ATOM 0 HA HIS A 46 -1.903 -9.819 4.893 1.00 23.00 H new ATOM 0 HB2 HIS A 46 -2.985 -7.622 5.335 1.00 75.20 H new ATOM 0 HB3 HIS A 46 -4.273 -8.030 4.219 1.00 75.20 H new ATOM 0 HD2 HIS A 46 -3.855 -7.711 7.659 1.00 15.00 H new ATOM 0 HE1 HIS A 46 -6.167 -11.203 7.683 1.00 13.10 H new ATOM 0 HE2 HIS A 46 -5.288 -9.265 9.076 1.00 31.30 H new ATOM 586 N VAL A 47 -4.159 -10.238 2.510 1.00 63.10 N ATOM 587 CA VAL A 47 -4.966 -11.242 1.826 1.00 35.40 C ATOM 588 C VAL A 47 -4.085 -12.285 1.147 1.00 64.10 C ATOM 589 O VAL A 47 -4.436 -13.462 1.084 1.00 3.33 O ATOM 590 CB VAL A 47 -5.888 -10.601 0.773 1.00 64.20 C ATOM 591 CG1 VAL A 47 -6.971 -9.770 1.444 1.00 41.40 C ATOM 592 CG2 VAL A 47 -5.081 -9.753 -0.200 1.00 71.00 C ATOM 0 H VAL A 47 -4.222 -9.302 2.110 1.00 63.10 H new ATOM 0 HA VAL A 47 -5.579 -11.726 2.586 1.00 35.40 H new ATOM 0 HB VAL A 47 -6.372 -11.398 0.209 1.00 64.20 H new ATOM 0 HG11 VAL A 47 -7.612 -9.325 0.683 1.00 41.40 H new ATOM 0 HG12 VAL A 47 -7.569 -10.408 2.095 1.00 41.40 H new ATOM 0 HG13 VAL A 47 -6.509 -8.980 2.036 1.00 41.40 H new ATOM 0 HG21 VAL A 47 -5.750 -9.308 -0.937 1.00 71.00 H new ATOM 0 HG22 VAL A 47 -4.566 -8.963 0.346 1.00 71.00 H new ATOM 0 HG23 VAL A 47 -4.348 -10.380 -0.708 1.00 71.00 H new ATOM 602 N VAL A 48 -2.939 -11.843 0.638 1.00 62.40 N ATOM 603 CA VAL A 48 -2.009 -12.736 -0.037 1.00 30.40 C ATOM 604 C VAL A 48 -1.452 -13.773 0.927 1.00 20.30 C ATOM 605 O VAL A 48 -1.224 -14.925 0.554 1.00 2.13 O ATOM 606 CB VAL A 48 -0.840 -11.959 -0.671 1.00 12.20 C ATOM 607 CG1 VAL A 48 0.040 -12.888 -1.495 1.00 51.30 C ATOM 608 CG2 VAL A 48 -1.360 -10.813 -1.524 1.00 2.53 C ATOM 0 H VAL A 48 -2.634 -10.871 0.681 1.00 62.40 H new ATOM 0 HA VAL A 48 -2.568 -13.238 -0.826 1.00 30.40 H new ATOM 0 HB VAL A 48 -0.233 -11.540 0.131 1.00 12.20 H new ATOM 0 HG11 VAL A 48 0.859 -12.319 -1.934 1.00 51.30 H new ATOM 0 HG12 VAL A 48 0.445 -13.670 -0.853 1.00 51.30 H new ATOM 0 HG13 VAL A 48 -0.553 -13.341 -2.289 1.00 51.30 H new ATOM 0 HG21 VAL A 48 -0.519 -10.276 -1.963 1.00 2.53 H new ATOM 0 HG22 VAL A 48 -1.993 -11.209 -2.318 1.00 2.53 H new ATOM 0 HG23 VAL A 48 -1.941 -10.132 -0.903 1.00 2.53 H new ATOM 618 N LYS A 49 -1.233 -13.359 2.171 1.00 35.00 N ATOM 619 CA LYS A 49 -0.698 -14.259 3.191 1.00 14.00 C ATOM 620 C LYS A 49 -1.734 -15.303 3.594 1.00 54.30 C ATOM 621 O LYS A 49 -1.397 -16.444 3.892 1.00 30.20 O ATOM 622 CB LYS A 49 -0.250 -13.464 4.420 1.00 51.50 C ATOM 623 CG LYS A 49 1.247 -13.236 4.487 1.00 70.30 C ATOM 624 CD LYS A 49 1.694 -12.134 3.542 1.00 25.40 C ATOM 625 CE LYS A 49 1.924 -10.824 4.283 1.00 32.50 C ATOM 626 NZ LYS A 49 0.681 -10.325 4.930 1.00 73.30 N ATOM 0 H LYS A 49 -1.416 -12.410 2.498 1.00 35.00 H new ATOM 0 HA LYS A 49 0.164 -14.775 2.768 1.00 14.00 H new ATOM 0 HB2 LYS A 49 -0.756 -12.498 4.421 1.00 51.50 H new ATOM 0 HB3 LYS A 49 -0.569 -13.992 5.319 1.00 51.50 H new ATOM 0 HG2 LYS A 49 1.530 -12.976 5.507 1.00 70.30 H new ATOM 0 HG3 LYS A 49 1.767 -14.161 4.238 1.00 70.30 H new ATOM 0 HD2 LYS A 49 2.613 -12.435 3.039 1.00 25.40 H new ATOM 0 HD3 LYS A 49 0.940 -11.988 2.768 1.00 25.40 H new ATOM 0 HE2 LYS A 49 2.695 -10.966 5.040 1.00 32.50 H new ATOM 0 HE3 LYS A 49 2.296 -10.073 3.586 1.00 32.50 H new ATOM 0 HZ1 LYS A 49 0.755 -9.298 5.078 1.00 73.30 H new ATOM 0 HZ2 LYS A 49 -0.135 -10.529 4.318 1.00 73.30 H new ATOM 0 HZ3 LYS A 49 0.553 -10.799 5.847 1.00 73.30 H new ATOM 640 N TYR A 50 -3.001 -14.901 3.600 1.00 53.40 N ATOM 641 CA TYR A 50 -4.088 -15.802 3.967 1.00 73.10 C ATOM 642 C TYR A 50 -5.009 -16.059 2.776 1.00 40.00 C ATOM 643 O TYR A 50 -6.197 -16.312 2.947 1.00 32.20 O ATOM 644 CB TYR A 50 -4.895 -15.214 5.128 1.00 4.42 C ATOM 645 CG TYR A 50 -4.066 -14.950 6.365 1.00 55.30 C ATOM 646 CD1 TYR A 50 -3.052 -14.001 6.355 1.00 40.10 C ATOM 647 CD2 TYR A 50 -4.298 -15.649 7.544 1.00 52.10 C ATOM 648 CE1 TYR A 50 -2.296 -13.750 7.482 1.00 40.00 C ATOM 649 CE2 TYR A 50 -3.542 -15.409 8.676 1.00 24.30 C ATOM 650 CZ TYR A 50 -2.542 -14.460 8.641 1.00 11.30 C ATOM 651 OH TYR A 50 -1.792 -14.213 9.766 1.00 50.20 O ATOM 0 H TYR A 50 -3.300 -13.957 3.355 1.00 53.40 H new ATOM 0 HA TYR A 50 -3.650 -16.750 4.278 1.00 73.10 H new ATOM 0 HB2 TYR A 50 -5.357 -14.281 4.804 1.00 4.42 H new ATOM 0 HB3 TYR A 50 -5.704 -15.899 5.382 1.00 4.42 H new ATOM 0 HD1 TYR A 50 -2.851 -13.449 5.449 1.00 40.10 H new ATOM 0 HD2 TYR A 50 -5.082 -16.392 7.576 1.00 52.10 H new ATOM 0 HE1 TYR A 50 -1.517 -13.003 7.458 1.00 40.00 H new ATOM 0 HE2 TYR A 50 -3.734 -15.962 9.584 1.00 24.30 H new ATOM 0 HH TYR A 50 -2.093 -14.796 10.494 1.00 50.20 H new ATOM 661 N GLU A 51 -4.438 -16.005 1.577 1.00 10.40 N ATOM 662 CA GLU A 51 -5.211 -16.231 0.359 1.00 21.30 C ATOM 663 C GLU A 51 -4.316 -16.131 -0.873 1.00 53.30 C ATOM 664 O GLU A 51 -4.156 -15.057 -1.450 1.00 62.40 O ATOM 665 CB GLU A 51 -6.353 -15.229 0.256 1.00 41.10 C ATOM 666 CG GLU A 51 -7.600 -15.794 -0.405 1.00 5.10 C ATOM 667 CD GLU A 51 -8.121 -17.031 0.291 1.00 43.30 C ATOM 668 OE1 GLU A 51 -8.862 -16.897 1.283 1.00 60.30 O ATOM 669 OE2 GLU A 51 -7.783 -18.147 -0.158 1.00 73.10 O ATOM 0 H GLU A 51 -3.449 -15.808 1.422 1.00 10.40 H new ATOM 0 HA GLU A 51 -5.630 -17.236 0.406 1.00 21.30 H new ATOM 0 HB2 GLU A 51 -6.609 -14.878 1.256 1.00 41.10 H new ATOM 0 HB3 GLU A 51 -6.014 -14.361 -0.309 1.00 41.10 H new ATOM 0 HG2 GLU A 51 -8.379 -15.032 -0.413 1.00 5.10 H new ATOM 0 HG3 GLU A 51 -7.378 -16.034 -1.445 1.00 5.10 H new ATOM 676 N ALA A 52 -3.749 -17.264 -1.281 1.00 14.30 N ATOM 677 CA ALA A 52 -2.871 -17.309 -2.446 1.00 34.00 C ATOM 678 C ALA A 52 -3.411 -18.260 -3.505 1.00 32.40 C ATOM 679 O ALA A 52 -3.672 -19.424 -3.223 1.00 10.10 O ATOM 680 CB ALA A 52 -1.460 -17.709 -2.032 1.00 3.41 C ATOM 0 H ALA A 52 -3.883 -18.164 -0.821 1.00 14.30 H new ATOM 0 HA ALA A 52 -2.836 -16.311 -2.882 1.00 34.00 H new ATOM 0 HB1 ALA A 52 -0.817 -17.738 -2.912 1.00 3.41 H new ATOM 0 HB2 ALA A 52 -1.069 -16.981 -1.321 1.00 3.41 H new ATOM 0 HB3 ALA A 52 -1.483 -18.694 -1.567 1.00 3.41 H new ATOM 686 N GLN A 53 -3.578 -17.747 -4.722 1.00 1.51 N ATOM 687 CA GLN A 53 -4.088 -18.553 -5.825 1.00 73.50 C ATOM 688 C GLN A 53 -2.942 -19.233 -6.578 1.00 51.40 C ATOM 689 O GLN A 53 -2.775 -20.451 -6.508 1.00 53.10 O ATOM 690 CB GLN A 53 -4.898 -17.686 -6.780 1.00 62.40 C ATOM 691 CG GLN A 53 -6.102 -17.020 -6.128 1.00 63.40 C ATOM 692 CD GLN A 53 -7.315 -16.985 -7.032 1.00 71.30 C ATOM 693 OE1 GLN A 53 -8.141 -17.897 -7.014 1.00 22.50 O ATOM 694 NE2 GLN A 53 -7.428 -15.938 -7.837 1.00 13.30 N ATOM 0 H GLN A 53 -3.368 -16.780 -4.967 1.00 1.51 H new ATOM 0 HA GLN A 53 -4.735 -19.327 -5.411 1.00 73.50 H new ATOM 0 HB2 GLN A 53 -4.249 -16.916 -7.197 1.00 62.40 H new ATOM 0 HB3 GLN A 53 -5.240 -18.300 -7.613 1.00 62.40 H new ATOM 0 HG2 GLN A 53 -6.354 -17.553 -5.211 1.00 63.40 H new ATOM 0 HG3 GLN A 53 -5.838 -16.002 -5.843 1.00 63.40 H new ATOM 0 HE21 GLN A 53 -6.721 -15.203 -7.820 1.00 13.30 H new ATOM 0 HE22 GLN A 53 -8.222 -15.867 -8.473 1.00 13.30 H new ATOM 703 N GLY A 54 -2.163 -18.428 -7.297 1.00 54.30 N ATOM 704 CA GLY A 54 -1.044 -18.970 -8.052 1.00 3.10 C ATOM 705 C GLY A 54 0.217 -18.163 -7.874 1.00 2.24 C ATOM 706 O GLY A 54 0.762 -18.084 -6.768 1.00 3.41 O ATOM 0 H GLY A 54 -2.284 -17.418 -7.371 1.00 54.30 H new ATOM 0 HA2 GLY A 54 -0.861 -19.998 -7.738 1.00 3.10 H new ATOM 0 HA3 GLY A 54 -1.305 -19.002 -9.110 1.00 3.10 H new ATOM 710 N ASP A 55 0.694 -17.560 -8.958 1.00 14.20 N ATOM 711 CA ASP A 55 1.908 -16.751 -8.912 1.00 64.00 C ATOM 712 C ASP A 55 1.646 -15.340 -9.428 1.00 74.40 C ATOM 713 O ASP A 55 2.099 -14.361 -8.840 1.00 62.50 O ATOM 714 CB ASP A 55 3.022 -17.413 -9.736 1.00 23.20 C ATOM 715 CG ASP A 55 4.389 -17.232 -9.113 1.00 41.20 C ATOM 716 OD1 ASP A 55 4.806 -16.077 -8.926 1.00 24.20 O ATOM 717 OD2 ASP A 55 5.041 -18.258 -8.814 1.00 32.40 O ATOM 0 H ASP A 55 0.259 -17.616 -9.879 1.00 14.20 H new ATOM 0 HA ASP A 55 2.227 -16.682 -7.872 1.00 64.00 H new ATOM 0 HB2 ASP A 55 2.811 -18.477 -9.838 1.00 23.20 H new ATOM 0 HB3 ASP A 55 3.026 -16.991 -10.741 1.00 23.20 H new ATOM 722 N LYS A 56 0.917 -15.250 -10.528 1.00 0.41 N ATOM 723 CA LYS A 56 0.584 -13.954 -11.127 1.00 3.41 C ATOM 724 C LYS A 56 -0.184 -13.078 -10.142 1.00 73.30 C ATOM 725 O LYS A 56 -0.068 -11.862 -10.165 1.00 5.23 O ATOM 726 CB LYS A 56 -0.225 -14.151 -12.402 1.00 23.30 C ATOM 727 CG LYS A 56 -0.004 -13.061 -13.443 1.00 24.20 C ATOM 728 CD LYS A 56 1.359 -13.200 -14.105 1.00 20.10 C ATOM 729 CE LYS A 56 1.279 -14.074 -15.347 1.00 12.20 C ATOM 730 NZ LYS A 56 2.583 -14.716 -15.655 1.00 71.40 N ATOM 0 H LYS A 56 0.541 -16.055 -11.029 1.00 0.41 H new ATOM 0 HA LYS A 56 1.516 -13.447 -11.377 1.00 3.41 H new ATOM 0 HB2 LYS A 56 0.032 -15.116 -12.839 1.00 23.30 H new ATOM 0 HB3 LYS A 56 -1.284 -14.188 -12.147 1.00 23.30 H new ATOM 0 HG2 LYS A 56 -0.786 -13.114 -14.200 1.00 24.20 H new ATOM 0 HG3 LYS A 56 -0.084 -12.082 -12.971 1.00 24.20 H new ATOM 0 HD2 LYS A 56 1.738 -12.214 -14.374 1.00 20.10 H new ATOM 0 HD3 LYS A 56 2.068 -13.632 -13.398 1.00 20.10 H new ATOM 0 HE2 LYS A 56 0.520 -14.843 -15.202 1.00 12.20 H new ATOM 0 HE3 LYS A 56 0.962 -13.470 -16.197 1.00 12.20 H new ATOM 0 HZ1 LYS A 56 2.488 -15.303 -16.508 1.00 71.40 H new ATOM 0 HZ2 LYS A 56 3.301 -13.982 -15.818 1.00 71.40 H new ATOM 0 HZ3 LYS A 56 2.874 -15.313 -14.854 1.00 71.40 H new ATOM 744 N ALA A 57 -0.972 -13.717 -9.283 1.00 22.00 N ATOM 745 CA ALA A 57 -1.758 -13.003 -8.291 1.00 25.40 C ATOM 746 C ALA A 57 -0.857 -12.254 -7.307 1.00 4.03 C ATOM 747 O ALA A 57 -1.052 -11.067 -7.064 1.00 63.40 O ATOM 748 CB ALA A 57 -2.673 -13.964 -7.547 1.00 54.00 C ATOM 0 H ALA A 57 -1.081 -14.731 -9.257 1.00 22.00 H new ATOM 0 HA ALA A 57 -2.371 -12.268 -8.813 1.00 25.40 H new ATOM 0 HB1 ALA A 57 -3.255 -13.414 -6.808 1.00 54.00 H new ATOM 0 HB2 ALA A 57 -3.348 -14.445 -8.255 1.00 54.00 H new ATOM 0 HB3 ALA A 57 -2.073 -14.723 -7.045 1.00 54.00 H new ATOM 754 N LYS A 58 0.112 -12.962 -6.755 1.00 31.50 N ATOM 755 CA LYS A 58 1.038 -12.363 -5.801 1.00 14.10 C ATOM 756 C LYS A 58 1.990 -11.398 -6.496 1.00 34.30 C ATOM 757 O LYS A 58 2.416 -10.400 -5.910 1.00 24.40 O ATOM 758 CB LYS A 58 1.839 -13.456 -5.087 1.00 11.30 C ATOM 759 CG LYS A 58 0.974 -14.454 -4.334 1.00 25.00 C ATOM 760 CD LYS A 58 0.739 -15.717 -5.149 1.00 73.40 C ATOM 761 CE LYS A 58 0.737 -16.950 -4.269 1.00 72.10 C ATOM 762 NZ LYS A 58 2.077 -17.597 -4.220 1.00 35.20 N ATOM 0 H LYS A 58 0.281 -13.949 -6.948 1.00 31.50 H new ATOM 0 HA LYS A 58 0.455 -11.805 -5.068 1.00 14.10 H new ATOM 0 HB2 LYS A 58 2.441 -13.992 -5.821 1.00 11.30 H new ATOM 0 HB3 LYS A 58 2.532 -12.988 -4.387 1.00 11.30 H new ATOM 0 HG2 LYS A 58 1.454 -14.713 -3.390 1.00 25.00 H new ATOM 0 HG3 LYS A 58 0.016 -13.995 -4.089 1.00 25.00 H new ATOM 0 HD2 LYS A 58 -0.213 -15.641 -5.674 1.00 73.40 H new ATOM 0 HD3 LYS A 58 1.515 -15.811 -5.909 1.00 73.40 H new ATOM 0 HE2 LYS A 58 0.429 -16.676 -3.260 1.00 72.10 H new ATOM 0 HE3 LYS A 58 0.003 -17.663 -4.644 1.00 72.10 H new ATOM 0 HZ1 LYS A 58 2.103 -18.283 -3.439 1.00 35.20 H new ATOM 0 HZ2 LYS A 58 2.258 -18.089 -5.118 1.00 35.20 H new ATOM 0 HZ3 LYS A 58 2.807 -16.872 -4.069 1.00 35.20 H new ATOM 776 N GLN A 59 2.317 -11.695 -7.751 1.00 54.10 N ATOM 777 CA GLN A 59 3.214 -10.847 -8.527 1.00 72.00 C ATOM 778 C GLN A 59 2.570 -9.501 -8.828 1.00 73.10 C ATOM 779 O GLN A 59 3.254 -8.481 -8.921 1.00 52.40 O ATOM 780 CB GLN A 59 3.600 -11.541 -9.834 1.00 21.10 C ATOM 781 CG GLN A 59 4.826 -12.428 -9.709 1.00 75.10 C ATOM 782 CD GLN A 59 6.110 -11.696 -10.049 1.00 54.10 C ATOM 783 OE1 GLN A 59 6.555 -11.703 -11.193 1.00 23.30 O ATOM 784 NE2 GLN A 59 6.716 -11.068 -9.049 1.00 51.30 N ATOM 0 H GLN A 59 1.974 -12.516 -8.251 1.00 54.10 H new ATOM 0 HA GLN A 59 4.111 -10.674 -7.933 1.00 72.00 H new ATOM 0 HB2 GLN A 59 2.759 -12.143 -10.179 1.00 21.10 H new ATOM 0 HB3 GLN A 59 3.785 -10.785 -10.597 1.00 21.10 H new ATOM 0 HG2 GLN A 59 4.890 -12.813 -8.691 1.00 75.10 H new ATOM 0 HG3 GLN A 59 4.717 -13.289 -10.369 1.00 75.10 H new ATOM 0 HE21 GLN A 59 6.310 -11.088 -8.113 1.00 51.30 H new ATOM 0 HE22 GLN A 59 7.587 -10.565 -9.216 1.00 51.30 H new ATOM 793 N SER A 60 1.250 -9.503 -8.980 1.00 72.30 N ATOM 794 CA SER A 60 0.512 -8.279 -9.270 1.00 44.10 C ATOM 795 C SER A 60 0.376 -7.416 -8.019 1.00 1.12 C ATOM 796 O SER A 60 0.754 -6.244 -8.018 1.00 72.00 O ATOM 797 CB SER A 60 -0.873 -8.614 -9.826 1.00 52.20 C ATOM 798 OG SER A 60 -1.746 -9.037 -8.795 1.00 74.30 O ATOM 0 H SER A 60 0.669 -10.338 -8.907 1.00 72.30 H new ATOM 0 HA SER A 60 1.070 -7.716 -10.018 1.00 44.10 H new ATOM 0 HB2 SER A 60 -1.290 -7.739 -10.324 1.00 52.20 H new ATOM 0 HB3 SER A 60 -0.787 -9.398 -10.578 1.00 52.20 H new ATOM 0 HG SER A 60 -1.394 -9.853 -8.382 1.00 74.30 H new ATOM 804 N ILE A 61 -0.168 -8.001 -6.958 1.00 12.30 N ATOM 805 CA ILE A 61 -0.355 -7.285 -5.702 1.00 72.10 C ATOM 806 C ILE A 61 0.972 -6.756 -5.166 1.00 22.40 C ATOM 807 O ILE A 61 1.038 -5.653 -4.625 1.00 44.30 O ATOM 808 CB ILE A 61 -1.005 -8.184 -4.632 1.00 12.10 C ATOM 809 CG1 ILE A 61 -0.218 -9.488 -4.481 1.00 31.00 C ATOM 810 CG2 ILE A 61 -2.455 -8.469 -4.992 1.00 31.00 C ATOM 811 CD1 ILE A 61 0.703 -9.503 -3.282 1.00 21.20 C ATOM 0 H ILE A 61 -0.487 -8.970 -6.943 1.00 12.30 H new ATOM 0 HA ILE A 61 -1.019 -6.447 -5.914 1.00 72.10 H new ATOM 0 HB ILE A 61 -0.985 -7.660 -3.676 1.00 12.10 H new ATOM 0 HG12 ILE A 61 -0.919 -10.319 -4.401 1.00 31.00 H new ATOM 0 HG13 ILE A 61 0.371 -9.654 -5.383 1.00 31.00 H new ATOM 0 HG21 ILE A 61 -2.901 -9.105 -4.228 1.00 31.00 H new ATOM 0 HG22 ILE A 61 -3.006 -7.531 -5.051 1.00 31.00 H new ATOM 0 HG23 ILE A 61 -2.498 -8.976 -5.956 1.00 31.00 H new ATOM 0 HD11 ILE A 61 1.228 -10.457 -3.238 1.00 21.20 H new ATOM 0 HD12 ILE A 61 1.428 -8.694 -3.370 1.00 21.20 H new ATOM 0 HD13 ILE A 61 0.118 -9.369 -2.372 1.00 21.20 H new ATOM 823 N ARG A 62 2.026 -7.551 -5.320 1.00 71.40 N ATOM 824 CA ARG A 62 3.350 -7.161 -4.852 1.00 21.20 C ATOM 825 C ARG A 62 3.846 -5.923 -5.594 1.00 21.50 C ATOM 826 O ARG A 62 4.288 -4.954 -4.979 1.00 70.00 O ATOM 827 CB ARG A 62 4.339 -8.313 -5.037 1.00 13.10 C ATOM 828 CG ARG A 62 4.359 -9.284 -3.871 1.00 44.20 C ATOM 829 CD ARG A 62 5.770 -9.783 -3.584 1.00 63.50 C ATOM 830 NE ARG A 62 5.978 -11.141 -4.069 1.00 11.20 N ATOM 831 CZ ARG A 62 7.178 -11.681 -4.268 1.00 45.50 C ATOM 832 NH1 ARG A 62 8.278 -10.980 -4.024 1.00 40.30 N ATOM 833 NH2 ARG A 62 7.277 -12.924 -4.711 1.00 40.10 N ATOM 0 H ARG A 62 1.989 -8.468 -5.765 1.00 71.40 H new ATOM 0 HA ARG A 62 3.278 -6.921 -3.791 1.00 21.20 H new ATOM 0 HB2 ARG A 62 4.087 -8.856 -5.948 1.00 13.10 H new ATOM 0 HB3 ARG A 62 5.340 -7.904 -5.177 1.00 13.10 H new ATOM 0 HG2 ARG A 62 3.957 -8.796 -2.983 1.00 44.20 H new ATOM 0 HG3 ARG A 62 3.710 -10.132 -4.091 1.00 44.20 H new ATOM 0 HD2 ARG A 62 6.493 -9.116 -4.053 1.00 63.50 H new ATOM 0 HD3 ARG A 62 5.955 -9.749 -2.510 1.00 63.50 H new ATOM 0 HE ARG A 62 5.156 -11.711 -4.268 1.00 11.20 H new ATOM 0 HH11 ARG A 62 8.207 -10.022 -3.682 1.00 40.30 H new ATOM 0 HH12 ARG A 62 9.195 -11.399 -4.178 1.00 40.30 H new ATOM 0 HH21 ARG A 62 6.434 -13.467 -4.899 1.00 40.10 H new ATOM 0 HH22 ARG A 62 8.196 -13.339 -4.864 1.00 40.10 H new ATOM 847 N ALA A 63 3.767 -5.964 -6.920 1.00 71.50 N ATOM 848 CA ALA A 63 4.206 -4.845 -7.744 1.00 41.30 C ATOM 849 C ALA A 63 3.406 -3.586 -7.429 1.00 75.10 C ATOM 850 O ALA A 63 3.921 -2.471 -7.523 1.00 4.23 O ATOM 851 CB ALA A 63 4.081 -5.195 -9.219 1.00 32.20 C ATOM 0 H ALA A 63 3.404 -6.759 -7.446 1.00 71.50 H new ATOM 0 HA ALA A 63 5.253 -4.647 -7.516 1.00 41.30 H new ATOM 0 HB1 ALA A 63 4.412 -4.350 -9.823 1.00 32.20 H new ATOM 0 HB2 ALA A 63 4.700 -6.064 -9.440 1.00 32.20 H new ATOM 0 HB3 ALA A 63 3.041 -5.422 -9.452 1.00 32.20 H new ATOM 857 N LYS A 64 2.146 -3.772 -7.051 1.00 51.10 N ATOM 858 CA LYS A 64 1.274 -2.651 -6.719 1.00 11.40 C ATOM 859 C LYS A 64 1.624 -2.082 -5.347 1.00 61.30 C ATOM 860 O LYS A 64 1.604 -0.867 -5.145 1.00 33.10 O ATOM 861 CB LYS A 64 -0.192 -3.093 -6.746 1.00 1.22 C ATOM 862 CG LYS A 64 -0.948 -2.615 -7.974 1.00 23.20 C ATOM 863 CD LYS A 64 -1.059 -3.710 -9.023 1.00 14.10 C ATOM 864 CE LYS A 64 -2.408 -4.407 -8.960 1.00 74.20 C ATOM 865 NZ LYS A 64 -2.870 -4.845 -10.306 1.00 31.00 N ATOM 0 H LYS A 64 1.706 -4.688 -6.967 1.00 51.10 H new ATOM 0 HA LYS A 64 1.422 -1.870 -7.465 1.00 11.40 H new ATOM 0 HB2 LYS A 64 -0.236 -4.181 -6.703 1.00 1.22 H new ATOM 0 HB3 LYS A 64 -0.692 -2.719 -5.853 1.00 1.22 H new ATOM 0 HG2 LYS A 64 -1.946 -2.286 -7.683 1.00 23.20 H new ATOM 0 HG3 LYS A 64 -0.440 -1.751 -8.402 1.00 23.20 H new ATOM 0 HD2 LYS A 64 -0.916 -3.281 -10.015 1.00 14.10 H new ATOM 0 HD3 LYS A 64 -0.264 -4.440 -8.874 1.00 14.10 H new ATOM 0 HE2 LYS A 64 -2.339 -5.272 -8.301 1.00 74.20 H new ATOM 0 HE3 LYS A 64 -3.145 -3.732 -8.525 1.00 74.20 H new ATOM 0 HZ1 LYS A 64 -3.793 -5.316 -10.220 1.00 31.00 H new ATOM 0 HZ2 LYS A 64 -2.960 -4.017 -10.929 1.00 31.00 H new ATOM 0 HZ3 LYS A 64 -2.179 -5.509 -10.711 1.00 31.00 H new ATOM 879 N CYS A 65 1.946 -2.966 -4.409 1.00 63.10 N ATOM 880 CA CYS A 65 2.301 -2.550 -3.057 1.00 54.50 C ATOM 881 C CYS A 65 3.641 -1.822 -3.049 1.00 4.52 C ATOM 882 O CYS A 65 3.867 -0.927 -2.234 1.00 52.10 O ATOM 883 CB CYS A 65 2.361 -3.763 -2.127 1.00 64.20 C ATOM 884 SG CYS A 65 0.740 -4.438 -1.692 1.00 4.02 S ATOM 0 H CYS A 65 1.969 -3.975 -4.560 1.00 63.10 H new ATOM 0 HA CYS A 65 1.532 -1.865 -2.699 1.00 54.50 H new ATOM 0 HB2 CYS A 65 2.952 -4.545 -2.604 1.00 64.20 H new ATOM 0 HB3 CYS A 65 2.883 -3.481 -1.213 1.00 64.20 H new ATOM 0 HG CYS A 65 0.515 -4.244 -0.426 1.00 4.02 H new ATOM 890 N THR A 66 4.526 -2.211 -3.961 1.00 41.10 N ATOM 891 CA THR A 66 5.844 -1.595 -4.059 1.00 0.22 C ATOM 892 C THR A 66 5.738 -0.166 -4.582 1.00 45.20 C ATOM 893 O THR A 66 6.342 0.753 -4.030 1.00 44.40 O ATOM 894 CB THR A 66 6.747 -2.421 -4.976 1.00 53.20 C ATOM 895 OG1 THR A 66 5.981 -3.108 -5.950 1.00 51.20 O ATOM 896 CG2 THR A 66 7.574 -3.449 -4.234 1.00 53.20 C ATOM 0 H THR A 66 4.354 -2.950 -4.643 1.00 41.10 H new ATOM 0 HA THR A 66 6.281 -1.566 -3.061 1.00 0.22 H new ATOM 0 HB THR A 66 7.421 -1.701 -5.440 1.00 53.20 H new ATOM 0 HG1 THR A 66 5.359 -2.483 -6.377 1.00 51.20 H new ATOM 0 HG21 THR A 66 8.192 -4.000 -4.943 1.00 53.20 H new ATOM 0 HG22 THR A 66 8.214 -2.946 -3.509 1.00 53.20 H new ATOM 0 HG23 THR A 66 6.912 -4.142 -3.714 1.00 53.20 H new ATOM 904 N GLU A 67 4.967 0.013 -5.650 1.00 3.51 N ATOM 905 CA GLU A 67 4.783 1.330 -6.247 1.00 53.00 C ATOM 906 C GLU A 67 4.038 2.259 -5.294 1.00 22.40 C ATOM 907 O GLU A 67 4.390 3.430 -5.152 1.00 21.30 O ATOM 908 CB GLU A 67 4.016 1.213 -7.566 1.00 50.20 C ATOM 909 CG GLU A 67 3.943 2.516 -8.344 1.00 42.30 C ATOM 910 CD GLU A 67 4.929 2.564 -9.491 1.00 11.30 C ATOM 911 OE1 GLU A 67 5.141 1.516 -10.136 1.00 63.10 O ATOM 912 OE2 GLU A 67 5.489 3.650 -9.746 1.00 11.40 O ATOM 0 H GLU A 67 4.460 -0.737 -6.119 1.00 3.51 H new ATOM 0 HA GLU A 67 5.768 1.753 -6.444 1.00 53.00 H new ATOM 0 HB2 GLU A 67 4.492 0.454 -8.187 1.00 50.20 H new ATOM 0 HB3 GLU A 67 3.004 0.866 -7.359 1.00 50.20 H new ATOM 0 HG2 GLU A 67 2.933 2.647 -8.732 1.00 42.30 H new ATOM 0 HG3 GLU A 67 4.136 3.350 -7.669 1.00 42.30 H new ATOM 919 N TYR A 68 3.008 1.729 -4.643 1.00 22.30 N ATOM 920 CA TYR A 68 2.214 2.511 -3.702 1.00 24.20 C ATOM 921 C TYR A 68 3.020 2.836 -2.449 1.00 72.20 C ATOM 922 O TYR A 68 2.915 3.933 -1.899 1.00 32.40 O ATOM 923 CB TYR A 68 0.942 1.751 -3.322 1.00 2.00 C ATOM 924 CG TYR A 68 -0.089 1.705 -4.427 1.00 35.40 C ATOM 925 CD1 TYR A 68 -0.417 2.847 -5.146 1.00 60.40 C ATOM 926 CD2 TYR A 68 -0.735 0.517 -4.750 1.00 13.40 C ATOM 927 CE1 TYR A 68 -1.360 2.808 -6.156 1.00 44.40 C ATOM 928 CE2 TYR A 68 -1.677 0.470 -5.760 1.00 51.20 C ATOM 929 CZ TYR A 68 -1.986 1.617 -6.458 1.00 21.10 C ATOM 930 OH TYR A 68 -2.926 1.575 -7.464 1.00 21.10 O ATOM 0 H TYR A 68 2.703 0.761 -4.750 1.00 22.30 H new ATOM 0 HA TYR A 68 1.938 3.447 -4.187 1.00 24.20 H new ATOM 0 HB2 TYR A 68 1.208 0.732 -3.042 1.00 2.00 H new ATOM 0 HB3 TYR A 68 0.499 2.218 -2.442 1.00 2.00 H new ATOM 0 HD1 TYR A 68 0.073 3.781 -4.912 1.00 60.40 H new ATOM 0 HD2 TYR A 68 -0.497 -0.383 -4.203 1.00 13.40 H new ATOM 0 HE1 TYR A 68 -1.605 3.705 -6.705 1.00 44.40 H new ATOM 0 HE2 TYR A 68 -2.168 -0.461 -6.001 1.00 51.20 H new ATOM 0 HH TYR A 68 -3.271 0.662 -7.551 1.00 21.10 H new ATOM 940 N LEU A 69 3.824 1.877 -2.003 1.00 11.40 N ATOM 941 CA LEU A 69 4.648 2.061 -0.814 1.00 72.10 C ATOM 942 C LEU A 69 5.726 3.112 -1.058 1.00 12.40 C ATOM 943 O LEU A 69 5.996 3.950 -0.198 1.00 71.00 O ATOM 944 CB LEU A 69 5.294 0.736 -0.405 1.00 44.10 C ATOM 945 CG LEU A 69 4.411 -0.178 0.446 1.00 51.00 C ATOM 946 CD1 LEU A 69 4.902 -1.616 0.368 1.00 62.30 C ATOM 947 CD2 LEU A 69 4.385 0.301 1.889 1.00 63.30 C ATOM 0 H LEU A 69 3.923 0.964 -2.447 1.00 11.40 H new ATOM 0 HA LEU A 69 4.004 2.407 -0.006 1.00 72.10 H new ATOM 0 HB2 LEU A 69 5.586 0.198 -1.307 1.00 44.10 H new ATOM 0 HB3 LEU A 69 6.209 0.950 0.148 1.00 44.10 H new ATOM 0 HG LEU A 69 3.395 -0.141 0.053 1.00 51.00 H new ATOM 0 HD11 LEU A 69 4.262 -2.253 0.979 1.00 62.30 H new ATOM 0 HD12 LEU A 69 4.869 -1.956 -0.667 1.00 62.30 H new ATOM 0 HD13 LEU A 69 5.927 -1.671 0.736 1.00 62.30 H new ATOM 0 HD21 LEU A 69 3.752 -0.361 2.481 1.00 63.30 H new ATOM 0 HD22 LEU A 69 5.397 0.292 2.293 1.00 63.30 H new ATOM 0 HD23 LEU A 69 3.987 1.315 1.929 1.00 63.30 H new ATOM 959 N ASP A 70 6.340 3.062 -2.236 1.00 41.00 N ATOM 960 CA ASP A 70 7.389 4.009 -2.593 1.00 2.14 C ATOM 961 C ASP A 70 6.831 5.425 -2.691 1.00 2.30 C ATOM 962 O ASP A 70 7.457 6.383 -2.234 1.00 54.20 O ATOM 963 CB ASP A 70 8.036 3.610 -3.921 1.00 3.54 C ATOM 964 CG ASP A 70 9.230 2.697 -3.730 1.00 61.30 C ATOM 965 OD1 ASP A 70 9.064 1.622 -3.114 1.00 70.40 O ATOM 966 OD2 ASP A 70 10.332 3.054 -4.199 1.00 3.32 O ATOM 0 H ASP A 70 6.129 2.375 -2.960 1.00 41.00 H new ATOM 0 HA ASP A 70 8.145 3.988 -1.809 1.00 2.14 H new ATOM 0 HB2 ASP A 70 7.296 3.110 -4.547 1.00 3.54 H new ATOM 0 HB3 ASP A 70 8.350 4.508 -4.453 1.00 3.54 H new ATOM 971 N ARG A 71 5.651 5.551 -3.289 1.00 5.40 N ATOM 972 CA ARG A 71 5.009 6.850 -3.446 1.00 2.24 C ATOM 973 C ARG A 71 4.743 7.494 -2.089 1.00 3.35 C ATOM 974 O ARG A 71 4.889 8.705 -1.925 1.00 43.30 O ATOM 975 CB ARG A 71 3.697 6.704 -4.220 1.00 52.20 C ATOM 976 CG ARG A 71 3.362 7.911 -5.081 1.00 11.20 C ATOM 977 CD ARG A 71 2.462 7.530 -6.246 1.00 0.12 C ATOM 978 NE ARG A 71 2.319 8.621 -7.207 1.00 33.30 N ATOM 979 CZ ARG A 71 3.233 8.927 -8.118 1.00 3.20 C ATOM 980 NH1 ARG A 71 4.359 8.228 -8.200 1.00 41.20 N ATOM 981 NH2 ARG A 71 3.024 9.935 -8.954 1.00 14.30 N ATOM 0 H ARG A 71 5.120 4.769 -3.673 1.00 5.40 H new ATOM 0 HA ARG A 71 5.685 7.495 -4.008 1.00 2.24 H new ATOM 0 HB2 ARG A 71 3.756 5.820 -4.855 1.00 52.20 H new ATOM 0 HB3 ARG A 71 2.885 6.535 -3.513 1.00 52.20 H new ATOM 0 HG2 ARG A 71 2.869 8.669 -4.472 1.00 11.20 H new ATOM 0 HG3 ARG A 71 4.282 8.356 -5.460 1.00 11.20 H new ATOM 0 HD2 ARG A 71 2.872 6.655 -6.750 1.00 0.12 H new ATOM 0 HD3 ARG A 71 1.479 7.249 -5.868 1.00 0.12 H new ATOM 0 HE ARG A 71 1.466 9.180 -7.175 1.00 33.30 H new ATOM 0 HH11 ARG A 71 4.525 7.451 -7.560 1.00 41.20 H new ATOM 0 HH12 ARG A 71 5.058 8.468 -8.903 1.00 41.20 H new ATOM 0 HH21 ARG A 71 2.160 10.475 -8.896 1.00 14.30 H new ATOM 0 HH22 ARG A 71 3.727 10.171 -9.655 1.00 14.30 H new ATOM 995 N ALA A 72 4.351 6.675 -1.118 1.00 74.20 N ATOM 996 CA ALA A 72 4.065 7.164 0.224 1.00 3.51 C ATOM 997 C ALA A 72 5.307 7.779 0.861 1.00 22.30 C ATOM 998 O ALA A 72 5.235 8.834 1.492 1.00 24.50 O ATOM 999 CB ALA A 72 3.529 6.036 1.093 1.00 60.40 C ATOM 0 H ALA A 72 4.224 5.670 -1.237 1.00 74.20 H new ATOM 0 HA ALA A 72 3.305 7.942 0.146 1.00 3.51 H new ATOM 0 HB1 ALA A 72 3.319 6.415 2.093 1.00 60.40 H new ATOM 0 HB2 ALA A 72 2.612 5.643 0.654 1.00 60.40 H new ATOM 0 HB3 ALA A 72 4.271 5.240 1.155 1.00 60.40 H new ATOM 1005 N GLU A 73 6.444 7.114 0.690 1.00 62.30 N ATOM 1006 CA GLU A 73 7.703 7.596 1.248 1.00 3.44 C ATOM 1007 C GLU A 73 8.054 8.972 0.690 1.00 1.35 C ATOM 1008 O GLU A 73 8.613 9.814 1.392 1.00 10.50 O ATOM 1009 CB GLU A 73 8.831 6.607 0.946 1.00 32.40 C ATOM 1010 CG GLU A 73 9.857 6.496 2.061 1.00 74.20 C ATOM 1011 CD GLU A 73 11.064 5.670 1.662 1.00 0.44 C ATOM 1012 OE1 GLU A 73 11.965 6.220 0.994 1.00 1.01 O ATOM 1013 OE2 GLU A 73 11.108 4.473 2.018 1.00 32.00 O ATOM 0 H GLU A 73 6.520 6.240 0.170 1.00 62.30 H new ATOM 0 HA GLU A 73 7.584 7.681 2.328 1.00 3.44 H new ATOM 0 HB2 GLU A 73 8.400 5.623 0.761 1.00 32.40 H new ATOM 0 HB3 GLU A 73 9.335 6.912 0.029 1.00 32.40 H new ATOM 0 HG2 GLU A 73 10.184 7.495 2.350 1.00 74.20 H new ATOM 0 HG3 GLU A 73 9.389 6.048 2.938 1.00 74.20 H new ATOM 1020 N LYS A 74 7.721 9.193 -0.578 1.00 14.10 N ATOM 1021 CA LYS A 74 8.002 10.466 -1.231 1.00 11.30 C ATOM 1022 C LYS A 74 7.162 11.586 -0.622 1.00 44.20 C ATOM 1023 O LYS A 74 7.654 12.693 -0.400 1.00 42.10 O ATOM 1024 CB LYS A 74 7.726 10.366 -2.732 1.00 13.10 C ATOM 1025 CG LYS A 74 8.392 9.171 -3.393 1.00 45.30 C ATOM 1026 CD LYS A 74 9.714 9.555 -4.037 1.00 25.30 C ATOM 1027 CE LYS A 74 10.378 8.362 -4.704 1.00 4.31 C ATOM 1028 NZ LYS A 74 9.632 7.916 -5.913 1.00 2.14 N ATOM 0 H LYS A 74 7.256 8.507 -1.173 1.00 14.10 H new ATOM 0 HA LYS A 74 9.056 10.700 -1.077 1.00 11.30 H new ATOM 0 HB2 LYS A 74 6.649 10.306 -2.892 1.00 13.10 H new ATOM 0 HB3 LYS A 74 8.070 11.279 -3.218 1.00 13.10 H new ATOM 0 HG2 LYS A 74 8.561 8.391 -2.651 1.00 45.30 H new ATOM 0 HG3 LYS A 74 7.726 8.754 -4.148 1.00 45.30 H new ATOM 0 HD2 LYS A 74 9.546 10.339 -4.776 1.00 25.30 H new ATOM 0 HD3 LYS A 74 10.382 9.968 -3.281 1.00 25.30 H new ATOM 0 HE2 LYS A 74 11.399 8.624 -4.983 1.00 4.31 H new ATOM 0 HE3 LYS A 74 10.443 7.538 -3.993 1.00 4.31 H new ATOM 0 HZ1 LYS A 74 10.185 7.192 -6.415 1.00 2.14 H new ATOM 0 HZ2 LYS A 74 8.716 7.516 -5.627 1.00 2.14 H new ATOM 0 HZ3 LYS A 74 9.474 8.728 -6.543 1.00 2.14 H new ATOM 1042 N LEU A 75 5.895 11.289 -0.354 1.00 32.00 N ATOM 1043 CA LEU A 75 4.988 12.271 0.229 1.00 12.10 C ATOM 1044 C LEU A 75 5.302 12.492 1.705 1.00 10.20 C ATOM 1045 O LEU A 75 5.196 13.609 2.211 1.00 21.20 O ATOM 1046 CB LEU A 75 3.537 11.814 0.067 1.00 22.20 C ATOM 1047 CG LEU A 75 3.145 11.394 -1.351 1.00 2.02 C ATOM 1048 CD1 LEU A 75 1.811 10.663 -1.340 1.00 21.00 C ATOM 1049 CD2 LEU A 75 3.084 12.605 -2.268 1.00 40.30 C ATOM 0 H LEU A 75 5.473 10.377 -0.531 1.00 32.00 H new ATOM 0 HA LEU A 75 5.126 13.215 -0.298 1.00 12.10 H new ATOM 0 HB2 LEU A 75 3.359 10.976 0.740 1.00 22.20 H new ATOM 0 HB3 LEU A 75 2.880 12.623 0.385 1.00 22.20 H new ATOM 0 HG LEU A 75 3.906 10.714 -1.732 1.00 2.02 H new ATOM 0 HD11 LEU A 75 1.547 10.372 -2.357 1.00 21.00 H new ATOM 0 HD12 LEU A 75 1.889 9.773 -0.716 1.00 21.00 H new ATOM 0 HD13 LEU A 75 1.039 11.320 -0.939 1.00 21.00 H new ATOM 0 HD21 LEU A 75 2.804 12.287 -3.272 1.00 40.30 H new ATOM 0 HD22 LEU A 75 2.343 13.310 -1.891 1.00 40.30 H new ATOM 0 HD23 LEU A 75 4.061 13.087 -2.299 1.00 40.30 H new ATOM 1061 N LYS A 76 5.687 11.421 2.390 1.00 1.40 N ATOM 1062 CA LYS A 76 6.016 11.498 3.809 1.00 50.00 C ATOM 1063 C LYS A 76 7.168 12.469 4.047 1.00 3.03 C ATOM 1064 O LYS A 76 7.211 13.161 5.065 1.00 64.10 O ATOM 1065 CB LYS A 76 6.383 10.113 4.345 1.00 10.10 C ATOM 1066 CG LYS A 76 6.349 10.019 5.861 1.00 51.10 C ATOM 1067 CD LYS A 76 4.922 10.000 6.386 1.00 74.10 C ATOM 1068 CE LYS A 76 4.473 11.381 6.834 1.00 44.30 C ATOM 1069 NZ LYS A 76 3.607 11.320 8.043 1.00 10.50 N ATOM 0 H LYS A 76 5.779 10.489 1.986 1.00 1.40 H new ATOM 0 HA LYS A 76 5.138 11.865 4.341 1.00 50.00 H new ATOM 0 HB2 LYS A 76 5.695 9.377 3.928 1.00 10.10 H new ATOM 0 HB3 LYS A 76 7.381 9.850 3.995 1.00 10.10 H new ATOM 0 HG2 LYS A 76 6.868 9.116 6.182 1.00 51.10 H new ATOM 0 HG3 LYS A 76 6.885 10.865 6.291 1.00 51.10 H new ATOM 0 HD2 LYS A 76 4.252 9.633 5.608 1.00 74.10 H new ATOM 0 HD3 LYS A 76 4.850 9.304 7.222 1.00 74.10 H new ATOM 0 HE2 LYS A 76 5.348 11.996 7.045 1.00 44.30 H new ATOM 0 HE3 LYS A 76 3.930 11.867 6.023 1.00 44.30 H new ATOM 0 HZ1 LYS A 76 3.323 12.283 8.315 1.00 10.50 H new ATOM 0 HZ2 LYS A 76 2.759 10.755 7.835 1.00 10.50 H new ATOM 0 HZ3 LYS A 76 4.133 10.880 8.825 1.00 10.50 H new ATOM 1083 N GLU A 77 8.100 12.518 3.101 1.00 44.40 N ATOM 1084 CA GLU A 77 9.251 13.407 3.206 1.00 43.30 C ATOM 1085 C GLU A 77 8.846 14.849 2.924 1.00 0.01 C ATOM 1086 O GLU A 77 9.054 15.738 3.749 1.00 12.40 O ATOM 1087 CB GLU A 77 10.350 12.973 2.234 1.00 44.50 C ATOM 1088 CG GLU A 77 11.755 13.172 2.774 1.00 33.30 C ATOM 1089 CD GLU A 77 12.682 12.024 2.428 1.00 31.40 C ATOM 1090 OE1 GLU A 77 12.297 10.859 2.662 1.00 73.30 O ATOM 1091 OE2 GLU A 77 13.792 12.288 1.921 1.00 42.30 O ATOM 0 H GLU A 77 8.081 11.952 2.253 1.00 44.40 H new ATOM 0 HA GLU A 77 9.635 13.347 4.224 1.00 43.30 H new ATOM 0 HB2 GLU A 77 10.210 11.920 1.988 1.00 44.50 H new ATOM 0 HB3 GLU A 77 10.244 13.534 1.306 1.00 44.50 H new ATOM 0 HG2 GLU A 77 12.166 14.099 2.374 1.00 33.30 H new ATOM 0 HG3 GLU A 77 11.711 13.284 3.857 1.00 33.30 H new ATOM 1098 N TYR A 78 8.260 15.070 1.752 1.00 1.51 N ATOM 1099 CA TYR A 78 7.819 16.401 1.356 1.00 33.50 C ATOM 1100 C TYR A 78 6.780 16.937 2.341 1.00 12.20 C ATOM 1101 O TYR A 78 6.686 18.144 2.562 1.00 42.10 O ATOM 1102 CB TYR A 78 7.248 16.358 -0.070 1.00 32.30 C ATOM 1103 CG TYR A 78 6.124 17.341 -0.326 1.00 14.10 C ATOM 1104 CD1 TYR A 78 4.825 17.052 0.072 1.00 33.10 C ATOM 1105 CD2 TYR A 78 6.363 18.552 -0.962 1.00 44.10 C ATOM 1106 CE1 TYR A 78 3.794 17.943 -0.159 1.00 4.31 C ATOM 1107 CE2 TYR A 78 5.338 19.448 -1.196 1.00 2.43 C ATOM 1108 CZ TYR A 78 4.056 19.140 -0.791 1.00 42.50 C ATOM 1109 OH TYR A 78 3.032 20.030 -1.023 1.00 53.00 O ATOM 0 H TYR A 78 8.080 14.343 1.060 1.00 1.51 H new ATOM 0 HA TYR A 78 8.674 17.076 1.370 1.00 33.50 H new ATOM 0 HB2 TYR A 78 8.054 16.555 -0.777 1.00 32.30 H new ATOM 0 HB3 TYR A 78 6.886 15.350 -0.273 1.00 32.30 H new ATOM 0 HD1 TYR A 78 4.617 16.116 0.570 1.00 33.10 H new ATOM 0 HD2 TYR A 78 7.366 18.797 -1.279 1.00 44.10 H new ATOM 0 HE1 TYR A 78 2.789 17.703 0.154 1.00 4.31 H new ATOM 0 HE2 TYR A 78 5.539 20.385 -1.694 1.00 2.43 H new ATOM 0 HH TYR A 78 2.225 19.539 -1.284 1.00 53.00 H new ATOM 1119 N LEU A 79 6.004 16.031 2.927 1.00 64.30 N ATOM 1120 CA LEU A 79 4.974 16.412 3.886 1.00 54.50 C ATOM 1121 C LEU A 79 5.588 17.093 5.105 1.00 52.20 C ATOM 1122 O LEU A 79 5.314 18.261 5.381 1.00 51.20 O ATOM 1123 CB LEU A 79 4.173 15.183 4.322 1.00 14.20 C ATOM 1124 CG LEU A 79 2.953 14.865 3.458 1.00 71.40 C ATOM 1125 CD1 LEU A 79 2.436 13.467 3.758 1.00 73.40 C ATOM 1126 CD2 LEU A 79 1.860 15.899 3.681 1.00 53.10 C ATOM 0 H LEU A 79 6.069 15.028 2.754 1.00 64.30 H new ATOM 0 HA LEU A 79 4.304 17.119 3.398 1.00 54.50 H new ATOM 0 HB2 LEU A 79 4.835 14.317 4.321 1.00 14.20 H new ATOM 0 HB3 LEU A 79 3.842 15.330 5.350 1.00 14.20 H new ATOM 0 HG LEU A 79 3.253 14.901 2.411 1.00 71.40 H new ATOM 0 HD11 LEU A 79 1.567 13.258 3.133 1.00 73.40 H new ATOM 0 HD12 LEU A 79 3.218 12.737 3.548 1.00 73.40 H new ATOM 0 HD13 LEU A 79 2.152 13.402 4.808 1.00 73.40 H new ATOM 0 HD21 LEU A 79 0.998 15.658 3.058 1.00 53.10 H new ATOM 0 HD22 LEU A 79 1.563 15.894 4.730 1.00 53.10 H new ATOM 0 HD23 LEU A 79 2.235 16.887 3.415 1.00 53.10 H new ATOM 1138 N LYS A 80 6.419 16.354 5.832 1.00 72.20 N ATOM 1139 CA LYS A 80 7.071 16.884 7.024 1.00 0.00 C ATOM 1140 C LYS A 80 8.238 17.793 6.649 1.00 31.40 C ATOM 1141 O LYS A 80 8.308 18.942 7.085 1.00 61.20 O ATOM 1142 CB LYS A 80 7.563 15.741 7.913 1.00 31.30 C ATOM 1143 CG LYS A 80 7.302 15.966 9.393 1.00 32.20 C ATOM 1144 CD LYS A 80 8.192 15.086 10.257 1.00 60.20 C ATOM 1145 CE LYS A 80 9.507 15.775 10.583 1.00 30.50 C ATOM 1146 NZ LYS A 80 10.500 15.627 9.482 1.00 45.30 N ATOM 0 H LYS A 80 6.657 15.386 5.617 1.00 72.20 H new ATOM 0 HA LYS A 80 6.339 17.474 7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.077 14.816 7.603 1.00 31.30 H new ATOM 0 HB3 LYS A 80 8.633 15.606 7.758 1.00 31.30 H new ATOM 0 HG2 LYS A 80 7.476 17.014 9.639 1.00 32.20 H new ATOM 0 HG3 LYS A 80 6.256 15.756 9.615 1.00 32.20 H new ATOM 0 HD2 LYS A 80 7.672 14.837 11.182 1.00 60.20 H new ATOM 0 HD3 LYS A 80 8.390 14.147 9.740 1.00 60.20 H new ATOM 0 HE2 LYS A 80 9.326 16.834 10.769 1.00 30.50 H new ATOM 0 HE3 LYS A 80 9.918 15.356 11.501 1.00 30.50 H new ATOM 0 HZ1 LYS A 80 11.462 15.662 9.875 1.00 45.30 H new ATOM 0 HZ2 LYS A 80 10.354 14.715 9.003 1.00 45.30 H new ATOM 0 HZ3 LYS A 80 10.377 16.401 8.798 1.00 45.30 H new ATOM 1160 N ASN A 81 9.152 17.270 5.838 1.00 52.30 N ATOM 1161 CA ASN A 81 10.316 18.035 5.406 1.00 40.50 C ATOM 1162 C ASN A 81 10.063 18.695 4.054 1.00 20.20 C ATOM 1163 O ASN A 81 9.786 18.018 3.063 1.00 32.00 O ATOM 1164 CB ASN A 81 11.545 17.129 5.322 1.00 33.30 C ATOM 1165 CG ASN A 81 12.821 17.907 5.063 1.00 2.23 C ATOM 1166 OD1 ASN A 81 13.519 18.305 5.995 1.00 3.11 O ATOM 1167 ND2 ASN A 81 13.130 18.128 3.791 1.00 31.00 N ATOM 0 H ASN A 81 9.109 16.321 5.467 1.00 52.30 H new ATOM 0 HA ASN A 81 10.499 18.817 6.143 1.00 40.50 H new ATOM 0 HB2 ASN A 81 11.646 16.571 6.253 1.00 33.30 H new ATOM 0 HB3 ASN A 81 11.400 16.398 4.526 1.00 33.30 H new ATOM 0 HD21 ASN A 81 13.976 18.647 3.554 1.00 31.00 H new ATOM 0 HD22 ASN A 81 12.522 17.779 3.050 1.00 31.00 H new TER 1174 ASN A 81 ATOM 1175 N ASP B 116 8.813 -10.452 -1.208 1.00 65.30 N ATOM 1176 CA ASP B 116 7.661 -10.400 -0.316 1.00 73.30 C ATOM 1177 C ASP B 116 8.045 -9.797 1.031 1.00 42.30 C ATOM 1178 O ASP B 116 7.225 -9.137 1.683 1.00 64.10 O ATOM 1179 CB ASP B 116 7.081 -11.799 -0.114 1.00 20.40 C ATOM 1180 CG ASP B 116 8.080 -12.753 0.523 1.00 11.20 C ATOM 1181 OD1 ASP B 116 8.262 -12.685 1.756 1.00 12.10 O ATOM 1182 OD2 ASP B 116 8.678 -13.563 -0.214 1.00 51.30 O ATOM 0 HA ASP B 116 6.904 -9.765 -0.777 1.00 73.30 H new ATOM 0 HB2 ASP B 116 6.193 -11.734 0.514 1.00 20.40 H new ATOM 0 HB3 ASP B 116 6.762 -12.200 -1.076 1.00 20.40 H new ATOM 1187 N GLU B 117 9.289 -10.018 1.441 1.00 45.20 N ATOM 1188 CA GLU B 117 9.777 -9.490 2.710 1.00 1.32 C ATOM 1189 C GLU B 117 10.006 -7.987 2.627 1.00 53.50 C ATOM 1190 O GLU B 117 9.854 -7.268 3.616 1.00 12.40 O ATOM 1191 CB GLU B 117 11.075 -10.190 3.106 1.00 4.34 C ATOM 1192 CG GLU B 117 11.216 -10.423 4.605 1.00 35.40 C ATOM 1193 CD GLU B 117 12.260 -11.457 4.942 1.00 12.20 C ATOM 1194 OE1 GLU B 117 12.570 -12.299 4.069 1.00 25.10 O ATOM 1195 OE2 GLU B 117 12.779 -11.437 6.081 1.00 45.30 O ATOM 0 H GLU B 117 9.976 -10.558 0.915 1.00 45.20 H new ATOM 0 HA GLU B 117 9.018 -9.680 3.469 1.00 1.32 H new ATOM 0 HB2 GLU B 117 11.131 -11.150 2.592 1.00 4.34 H new ATOM 0 HB3 GLU B 117 11.919 -9.593 2.760 1.00 4.34 H new ATOM 0 HG2 GLU B 117 11.474 -9.482 5.091 1.00 35.40 H new ATOM 0 HG3 GLU B 117 10.255 -10.739 5.011 1.00 35.40 H new ATOM 1202 N GLU B 118 10.370 -7.515 1.439 1.00 63.10 N ATOM 1203 CA GLU B 118 10.616 -6.091 1.226 1.00 11.10 C ATOM 1204 C GLU B 118 9.317 -5.298 1.286 1.00 51.20 C ATOM 1205 O GLU B 118 9.220 -4.307 2.006 1.00 13.10 O ATOM 1206 CB GLU B 118 11.299 -5.866 -0.124 1.00 34.20 C ATOM 1207 CG GLU B 118 12.815 -5.971 -0.063 1.00 62.10 C ATOM 1208 CD GLU B 118 13.297 -7.407 0.006 1.00 11.20 C ATOM 1209 OE1 GLU B 118 12.824 -8.152 0.891 1.00 21.50 O ATOM 1210 OE2 GLU B 118 14.151 -7.794 -0.824 1.00 43.10 O ATOM 0 H GLU B 118 10.501 -8.095 0.610 1.00 63.10 H new ATOM 0 HA GLU B 118 11.272 -5.740 2.022 1.00 11.10 H new ATOM 0 HB2 GLU B 118 10.921 -6.596 -0.839 1.00 34.20 H new ATOM 0 HB3 GLU B 118 11.026 -4.880 -0.500 1.00 34.20 H new ATOM 0 HG2 GLU B 118 13.245 -5.489 -0.941 1.00 62.10 H new ATOM 0 HG3 GLU B 118 13.179 -5.427 0.809 1.00 62.10 H new ATOM 1217 N ILE B 119 8.318 -5.739 0.526 1.00 70.30 N ATOM 1218 CA ILE B 119 7.028 -5.077 0.495 1.00 4.12 C ATOM 1219 C ILE B 119 6.381 -5.070 1.876 1.00 43.30 C ATOM 1220 O ILE B 119 5.752 -4.089 2.275 1.00 22.30 O ATOM 1221 CB ILE B 119 6.069 -5.750 -0.509 1.00 14.50 C ATOM 1222 CG1 ILE B 119 6.729 -5.855 -1.886 1.00 63.10 C ATOM 1223 CG2 ILE B 119 4.763 -4.975 -0.600 1.00 13.10 C ATOM 1224 CD1 ILE B 119 5.835 -6.471 -2.940 1.00 31.30 C ATOM 0 H ILE B 119 8.384 -6.558 -0.078 1.00 70.30 H new ATOM 0 HA ILE B 119 7.209 -4.051 0.176 1.00 4.12 H new ATOM 0 HB ILE B 119 5.846 -6.756 -0.155 1.00 14.50 H new ATOM 0 HG12 ILE B 119 7.029 -4.859 -2.213 1.00 63.10 H new ATOM 0 HG13 ILE B 119 7.638 -6.450 -1.800 1.00 63.10 H new ATOM 0 HG21 ILE B 119 4.099 -5.464 -1.313 1.00 13.10 H new ATOM 0 HG22 ILE B 119 4.287 -4.948 0.380 1.00 13.10 H new ATOM 0 HG23 ILE B 119 4.966 -3.957 -0.933 1.00 13.10 H new ATOM 0 HD11 ILE B 119 6.368 -6.514 -3.890 1.00 31.30 H new ATOM 0 HD12 ILE B 119 5.555 -7.479 -2.636 1.00 31.30 H new ATOM 0 HD13 ILE B 119 4.937 -5.864 -3.055 1.00 31.30 H new ATOM 1236 N GLU B 120 6.539 -6.172 2.604 1.00 62.00 N ATOM 1237 CA GLU B 120 5.971 -6.293 3.941 1.00 3.42 C ATOM 1238 C GLU B 120 6.699 -5.386 4.926 1.00 52.00 C ATOM 1239 O GLU B 120 6.107 -4.889 5.884 1.00 41.10 O ATOM 1240 CB GLU B 120 6.040 -7.743 4.418 1.00 14.40 C ATOM 1241 CG GLU B 120 4.844 -8.167 5.256 1.00 52.10 C ATOM 1242 CD GLU B 120 4.967 -7.739 6.705 1.00 54.30 C ATOM 1243 OE1 GLU B 120 6.057 -7.929 7.288 1.00 50.10 O ATOM 1244 OE2 GLU B 120 3.977 -7.221 7.258 1.00 25.50 O ATOM 0 H GLU B 120 7.056 -6.993 2.290 1.00 62.00 H new ATOM 0 HA GLU B 120 4.927 -5.983 3.894 1.00 3.42 H new ATOM 0 HB2 GLU B 120 6.116 -8.399 3.551 1.00 14.40 H new ATOM 0 HB3 GLU B 120 6.950 -7.881 5.002 1.00 14.40 H new ATOM 0 HG2 GLU B 120 3.937 -7.739 4.830 1.00 52.10 H new ATOM 0 HG3 GLU B 120 4.738 -9.251 5.209 1.00 52.10 H new ATOM 1251 N ARG B 121 7.988 -5.172 4.683 1.00 45.40 N ATOM 1252 CA ARG B 121 8.799 -4.323 5.550 1.00 50.40 C ATOM 1253 C ARG B 121 8.462 -2.851 5.339 1.00 22.20 C ATOM 1254 O ARG B 121 8.440 -2.067 6.288 1.00 33.30 O ATOM 1255 CB ARG B 121 10.286 -4.560 5.286 1.00 23.10 C ATOM 1256 CG ARG B 121 11.186 -4.109 6.424 1.00 24.50 C ATOM 1257 CD ARG B 121 12.649 -4.333 6.098 1.00 62.40 C ATOM 1258 NE ARG B 121 13.146 -5.589 6.663 1.00 4.22 N ATOM 1259 CZ ARG B 121 14.426 -5.947 6.655 1.00 40.40 C ATOM 1260 NH1 ARG B 121 15.347 -5.160 6.115 1.00 50.20 N ATOM 1261 NH2 ARG B 121 14.794 -7.110 7.190 1.00 60.30 N ATOM 0 H ARG B 121 8.494 -5.574 3.894 1.00 45.40 H new ATOM 0 HA ARG B 121 8.575 -4.584 6.584 1.00 50.40 H new ATOM 0 HB2 ARG B 121 10.449 -5.622 5.104 1.00 23.10 H new ATOM 0 HB3 ARG B 121 10.573 -4.033 4.376 1.00 23.10 H new ATOM 0 HG2 ARG B 121 11.015 -3.052 6.627 1.00 24.50 H new ATOM 0 HG3 ARG B 121 10.927 -4.654 7.332 1.00 24.50 H new ATOM 0 HD2 ARG B 121 12.783 -4.343 5.016 1.00 62.40 H new ATOM 0 HD3 ARG B 121 13.239 -3.502 6.485 1.00 62.40 H new ATOM 0 HE ARG B 121 12.471 -6.226 7.087 1.00 4.22 H new ATOM 0 HH11 ARG B 121 15.076 -4.269 5.700 1.00 50.20 H new ATOM 0 HH12 ARG B 121 16.326 -5.446 6.115 1.00 50.20 H new ATOM 0 HH21 ARG B 121 14.094 -7.725 7.605 1.00 60.30 H new ATOM 0 HH22 ARG B 121 15.776 -7.386 7.184 1.00 60.30 H new ATOM 1275 N GLN B 122 8.203 -2.482 4.090 1.00 21.30 N ATOM 1276 CA GLN B 122 7.868 -1.102 3.754 1.00 21.00 C ATOM 1277 C GLN B 122 6.609 -0.653 4.490 1.00 52.20 C ATOM 1278 O GLN B 122 6.612 0.366 5.179 1.00 44.30 O ATOM 1279 CB GLN B 122 7.668 -0.957 2.244 1.00 73.40 C ATOM 1280 CG GLN B 122 8.891 -1.344 1.428 1.00 63.10 C ATOM 1281 CD GLN B 122 9.139 -0.400 0.268 1.00 14.10 C ATOM 1282 OE1 GLN B 122 10.013 0.464 0.331 1.00 3.20 O ATOM 1283 NE2 GLN B 122 8.369 -0.562 -0.803 1.00 71.30 N ATOM 0 H GLN B 122 8.218 -3.118 3.293 1.00 21.30 H new ATOM 0 HA GLN B 122 8.697 -0.467 4.067 1.00 21.00 H new ATOM 0 HB2 GLN B 122 6.826 -1.576 1.936 1.00 73.40 H new ATOM 0 HB3 GLN B 122 7.403 0.076 2.019 1.00 73.40 H new ATOM 0 HG2 GLN B 122 9.767 -1.356 2.076 1.00 63.10 H new ATOM 0 HG3 GLN B 122 8.763 -2.357 1.047 1.00 63.10 H new ATOM 0 HE21 GLN B 122 7.656 -1.291 -0.813 1.00 71.30 H new ATOM 0 HE22 GLN B 122 8.491 0.043 -1.615 1.00 71.30 H new ATOM 1292 N LEU B 123 5.536 -1.423 4.339 1.00 64.10 N ATOM 1293 CA LEU B 123 4.271 -1.103 4.989 1.00 4.24 C ATOM 1294 C LEU B 123 4.390 -1.230 6.505 1.00 34.20 C ATOM 1295 O LEU B 123 3.729 -0.509 7.252 1.00 73.10 O ATOM 1296 CB LEU B 123 3.163 -2.025 4.475 1.00 63.30 C ATOM 1297 CG LEU B 123 3.453 -3.522 4.604 1.00 53.40 C ATOM 1298 CD1 LEU B 123 2.871 -4.068 5.898 1.00 72.20 C ATOM 1299 CD2 LEU B 123 2.899 -4.278 3.406 1.00 12.50 C ATOM 0 H LEU B 123 5.518 -2.271 3.773 1.00 64.10 H new ATOM 0 HA LEU B 123 4.018 -0.071 4.748 1.00 4.24 H new ATOM 0 HB2 LEU B 123 2.244 -1.801 5.017 1.00 63.30 H new ATOM 0 HB3 LEU B 123 2.978 -1.796 3.426 1.00 63.30 H new ATOM 0 HG LEU B 123 4.534 -3.663 4.628 1.00 53.40 H new ATOM 0 HD11 LEU B 123 3.087 -5.134 5.973 1.00 72.20 H new ATOM 0 HD12 LEU B 123 3.316 -3.547 6.746 1.00 72.20 H new ATOM 0 HD13 LEU B 123 1.792 -3.915 5.905 1.00 72.20 H new ATOM 0 HD21 LEU B 123 3.115 -5.341 3.515 1.00 12.50 H new ATOM 0 HD22 LEU B 123 1.821 -4.130 3.350 1.00 12.50 H new ATOM 0 HD23 LEU B 123 3.364 -3.905 2.494 1.00 12.50 H new ATOM 1311 N LYS B 124 5.238 -2.151 6.952 1.00 22.50 N ATOM 1312 CA LYS B 124 5.444 -2.370 8.378 1.00 74.30 C ATOM 1313 C LYS B 124 6.233 -1.222 8.998 1.00 35.00 C ATOM 1314 O LYS B 124 6.044 -0.885 10.166 1.00 1.50 O ATOM 1315 CB LYS B 124 6.178 -3.693 8.610 1.00 3.33 C ATOM 1316 CG LYS B 124 5.247 -4.881 8.792 1.00 31.00 C ATOM 1317 CD LYS B 124 5.830 -5.903 9.756 1.00 65.40 C ATOM 1318 CE LYS B 124 4.753 -6.508 10.642 1.00 60.00 C ATOM 1319 NZ LYS B 124 4.291 -7.827 10.133 1.00 73.20 N ATOM 0 H LYS B 124 5.793 -2.757 6.347 1.00 22.50 H new ATOM 0 HA LYS B 124 4.466 -2.414 8.858 1.00 74.30 H new ATOM 0 HB2 LYS B 124 6.838 -3.886 7.765 1.00 3.33 H new ATOM 0 HB3 LYS B 124 6.810 -3.598 9.493 1.00 3.33 H new ATOM 0 HG2 LYS B 124 4.283 -4.535 9.165 1.00 31.00 H new ATOM 0 HG3 LYS B 124 5.064 -5.353 7.827 1.00 31.00 H new ATOM 0 HD2 LYS B 124 6.327 -6.694 9.194 1.00 65.40 H new ATOM 0 HD3 LYS B 124 6.589 -5.428 10.377 1.00 65.40 H new ATOM 0 HE2 LYS B 124 5.139 -6.625 11.654 1.00 60.00 H new ATOM 0 HE3 LYS B 124 3.906 -5.825 10.701 1.00 60.00 H new ATOM 0 HZ1 LYS B 124 3.457 -8.134 10.673 1.00 73.20 H new ATOM 0 HZ2 LYS B 124 4.041 -7.743 9.127 1.00 73.20 H new ATOM 0 HZ3 LYS B 124 5.052 -8.527 10.243 1.00 73.20 H new ATOM 1333 N ALA B 125 7.118 -0.624 8.206 1.00 22.10 N ATOM 1334 CA ALA B 125 7.936 0.487 8.676 1.00 1.21 C ATOM 1335 C ALA B 125 7.123 1.775 8.747 1.00 72.00 C ATOM 1336 O ALA B 125 7.222 2.530 9.715 1.00 40.30 O ATOM 1337 CB ALA B 125 9.144 0.673 7.770 1.00 13.20 C ATOM 0 H ALA B 125 7.286 -0.891 7.236 1.00 22.10 H new ATOM 0 HA ALA B 125 8.283 0.251 9.682 1.00 1.21 H new ATOM 0 HB1 ALA B 125 9.746 1.506 8.133 1.00 13.20 H new ATOM 0 HB2 ALA B 125 9.744 -0.237 7.773 1.00 13.20 H new ATOM 0 HB3 ALA B 125 8.808 0.883 6.755 1.00 13.20 H new ATOM 1343 N LEU B 126 6.320 2.019 7.718 1.00 52.10 N ATOM 1344 CA LEU B 126 5.488 3.217 7.664 1.00 1.33 C ATOM 1345 C LEU B 126 4.424 3.190 8.756 1.00 11.10 C ATOM 1346 O LEU B 126 4.176 4.196 9.420 1.00 50.40 O ATOM 1347 CB LEU B 126 4.824 3.341 6.291 1.00 73.00 C ATOM 1348 CG LEU B 126 5.731 3.867 5.178 1.00 24.50 C ATOM 1349 CD1 LEU B 126 5.342 3.258 3.840 1.00 62.10 C ATOM 1350 CD2 LEU B 126 5.668 5.385 5.114 1.00 34.30 C ATOM 0 H LEU B 126 6.227 1.404 6.910 1.00 52.10 H new ATOM 0 HA LEU B 126 6.130 4.082 7.829 1.00 1.33 H new ATOM 0 HB2 LEU B 126 4.445 2.362 5.998 1.00 73.00 H new ATOM 0 HB3 LEU B 126 3.962 4.003 6.380 1.00 73.00 H new ATOM 0 HG LEU B 126 6.757 3.575 5.402 1.00 24.50 H new ATOM 0 HD11 LEU B 126 5.998 3.644 3.060 1.00 62.10 H new ATOM 0 HD12 LEU B 126 5.439 2.174 3.892 1.00 62.10 H new ATOM 0 HD13 LEU B 126 4.310 3.519 3.608 1.00 62.10 H new ATOM 0 HD21 LEU B 126 6.319 5.743 4.317 1.00 34.30 H new ATOM 0 HD22 LEU B 126 4.643 5.699 4.914 1.00 34.30 H new ATOM 0 HD23 LEU B 126 5.996 5.803 6.066 1.00 34.30 H new ATOM 1362 N GLY B 127 3.798 2.031 8.937 1.00 21.30 N ATOM 1363 CA GLY B 127 2.768 1.895 9.949 1.00 2.52 C ATOM 1364 C GLY B 127 2.890 0.602 10.731 1.00 52.40 C ATOM 1365 O GLY B 127 3.014 -0.474 10.148 1.00 33.50 O ATOM 0 H GLY B 127 3.986 1.184 8.401 1.00 21.30 H new ATOM 0 HA2 GLY B 127 2.825 2.739 10.637 1.00 2.52 H new ATOM 0 HA3 GLY B 127 1.788 1.937 9.474 1.00 2.52 H new ATOM 1369 N VAL B 128 2.856 0.708 12.055 1.00 44.40 N ATOM 1370 CA VAL B 128 2.964 -0.462 12.918 1.00 11.40 C ATOM 1371 C VAL B 128 2.657 -0.103 14.370 1.00 0.22 C ATOM 1372 O VAL B 128 3.125 0.915 14.881 1.00 70.10 O ATOM 1373 CB VAL B 128 4.370 -1.090 12.837 1.00 22.40 C ATOM 1374 CG1 VAL B 128 5.428 -0.103 13.304 1.00 74.30 C ATOM 1375 CG2 VAL B 128 4.429 -2.374 13.652 1.00 12.10 C ATOM 0 H VAL B 128 2.755 1.592 12.554 1.00 44.40 H new ATOM 0 HA VAL B 128 2.231 -1.188 12.565 1.00 11.40 H new ATOM 0 HB VAL B 128 4.576 -1.338 11.796 1.00 22.40 H new ATOM 0 HG11 VAL B 128 6.412 -0.567 13.239 1.00 74.30 H new ATOM 0 HG12 VAL B 128 5.402 0.784 12.672 1.00 74.30 H new ATOM 0 HG13 VAL B 128 5.229 0.182 14.337 1.00 74.30 H new ATOM 0 HG21 VAL B 128 5.429 -2.803 13.583 1.00 12.10 H new ATOM 0 HG22 VAL B 128 4.200 -2.154 14.695 1.00 12.10 H new ATOM 0 HG23 VAL B 128 3.701 -3.086 13.263 1.00 12.10 H new ATOM 1385 N ASP B 129 1.869 -0.946 15.028 1.00 1.42 N ATOM 1386 CA ASP B 129 1.500 -0.718 16.421 1.00 31.50 C ATOM 1387 C ASP B 129 2.599 -1.200 17.361 1.00 52.30 C ATOM 1388 O ASP B 129 3.181 -0.355 18.072 1.00 70.40 O ATOM 1389 CB ASP B 129 0.186 -1.432 16.745 1.00 13.30 C ATOM 1390 CG ASP B 129 -1.023 -0.691 16.207 1.00 64.00 C ATOM 1391 OD1 ASP B 129 -1.226 0.477 16.600 1.00 15.40 O ATOM 1392 OD2 ASP B 129 -1.766 -1.279 15.394 1.00 71.30 O ATOM 1393 OXT ASP B 129 2.869 -2.419 17.378 1.00 37.80 O ATOM 0 H ASP B 129 1.473 -1.793 14.620 1.00 1.42 H new ATOM 0 HA ASP B 129 1.369 0.354 16.565 1.00 31.50 H new ATOM 0 HB2 ASP B 129 0.209 -2.438 16.325 1.00 13.30 H new ATOM 0 HB3 ASP B 129 0.091 -1.540 17.825 1.00 13.30 H new TER 1398 ASP B 129