USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 973 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 TYR OH : rot 102:sc= 1.27 USER MOD Set 1.2: A 124 GLN : amide:sc= 0.401 K(o=1.7,f=-2.1!) USER MOD Set 2.1: A 94 ASN : amide:sc= -1.19 K(o=-0.56,f=0.019) USER MOD Set 2.2: A 102 THR OG1 : rot -43:sc= 0.632 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot -150:sc= 0 USER MOD Single : A 22 THR OG1 : rot 74:sc= 0.301 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -152:sc= 0.328 (180deg=0.0738) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 160:sc= -0.976 USER MOD Single : A 34 TYR OH : rot 180:sc= -3.69! USER MOD Single : A 37 MET CE :methyl -131:sc= -2.2! (180deg=-6.14!) USER MOD Single : A 38 HIS : no HD1:sc= -2.12 X(o=-2.1,f=-1.9) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -12:sc= 0.766 USER MOD Single : A 56 ASN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 59 GLN : amide:sc= -3.31! K(o=-3.3!,f=-2.1) USER MOD Single : A 66 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.236) USER MOD Single : A 67 ASN : amide:sc= -0.991 K(o=-0.99,f=-1.8) USER MOD Single : A 70 CYS SG : rot 180:sc= -2.22 USER MOD Single : A 71 TYR OH : rot -147:sc= -0.451 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 112:sc= 2.03 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 88:sc= -0.438 USER MOD Single : A 117 THR OG1 : rot 62:sc= 0.616 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 GLN : amide:sc= -0.564 X(o=-0.56,f=-0.45) USER MOD Single : A 126 ASN : amide:sc= -1.75 K(o=-1.8,f=-2.9) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 83:sc= 1.15 USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 14 -4.667 7.219 -3.210 1.00 40.01 N ATOM 64 CA VAL A 14 -5.407 8.072 -2.287 1.00 61.35 C ATOM 65 C VAL A 14 -4.508 9.152 -1.697 1.00 10.04 C ATOM 66 O VAL A 14 -3.717 8.889 -0.791 1.00 13.14 O ATOM 67 CB VAL A 14 -6.028 7.252 -1.141 1.00 25.13 C ATOM 68 CG1 VAL A 14 -6.522 8.171 -0.034 1.00 25.23 C ATOM 69 CG2 VAL A 14 -7.157 6.377 -1.663 1.00 13.14 C ATOM 0 HA VAL A 14 -6.206 8.542 -2.861 1.00 61.35 H new ATOM 0 HB VAL A 14 -5.259 6.602 -0.724 1.00 25.13 H new ATOM 0 HG11 VAL A 14 -6.958 7.574 0.767 1.00 25.23 H new ATOM 0 HG12 VAL A 14 -5.686 8.750 0.358 1.00 25.23 H new ATOM 0 HG13 VAL A 14 -7.277 8.848 -0.433 1.00 25.23 H new ATOM 0 HG21 VAL A 14 -7.584 5.805 -0.840 1.00 13.14 H new ATOM 0 HG22 VAL A 14 -7.929 7.006 -2.107 1.00 13.14 H new ATOM 0 HG23 VAL A 14 -6.768 5.693 -2.417 1.00 13.14 H new ATOM 79 N SER A 15 -4.635 10.369 -2.216 1.00 13.14 N ATOM 80 CA SER A 15 -3.832 11.490 -1.742 1.00 21.03 C ATOM 81 C SER A 15 -4.629 12.359 -0.773 1.00 70.35 C ATOM 82 O SER A 15 -5.803 12.649 -1.004 1.00 41.32 O ATOM 83 CB SER A 15 -3.349 12.334 -2.923 1.00 1.02 C ATOM 84 OG SER A 15 -2.003 12.032 -3.249 1.00 74.11 O ATOM 0 H SER A 15 -5.286 10.604 -2.965 1.00 13.14 H new ATOM 0 HA SER A 15 -2.967 11.088 -1.214 1.00 21.03 H new ATOM 0 HB2 SER A 15 -3.986 12.152 -3.789 1.00 1.02 H new ATOM 0 HB3 SER A 15 -3.439 13.392 -2.678 1.00 1.02 H new ATOM 0 HG SER A 15 -1.719 12.583 -4.008 1.00 74.11 H new ATOM 90 N VAL A 16 -3.982 12.771 0.312 1.00 30.43 N ATOM 91 CA VAL A 16 -4.629 13.607 1.316 1.00 4.13 C ATOM 92 C VAL A 16 -4.812 15.033 0.809 1.00 63.14 C ATOM 93 O VAL A 16 -3.860 15.669 0.357 1.00 23.14 O ATOM 94 CB VAL A 16 -3.818 13.640 2.626 1.00 53.13 C ATOM 95 CG1 VAL A 16 -2.392 14.098 2.360 1.00 14.50 C ATOM 96 CG2 VAL A 16 -4.495 14.541 3.648 1.00 61.11 C ATOM 0 H VAL A 16 -3.010 12.540 0.518 1.00 30.43 H new ATOM 0 HA VAL A 16 -5.606 13.166 1.513 1.00 4.13 H new ATOM 0 HB VAL A 16 -3.779 12.630 3.035 1.00 53.13 H new ATOM 0 HG11 VAL A 16 -1.835 14.115 3.297 1.00 14.50 H new ATOM 0 HG12 VAL A 16 -1.912 13.409 1.665 1.00 14.50 H new ATOM 0 HG13 VAL A 16 -2.406 15.099 1.928 1.00 14.50 H new ATOM 0 HG21 VAL A 16 -3.909 14.553 4.567 1.00 61.11 H new ATOM 0 HG22 VAL A 16 -4.566 15.553 3.250 1.00 61.11 H new ATOM 0 HG23 VAL A 16 -5.495 14.163 3.860 1.00 61.11 H new ATOM 106 N ALA A 17 -6.042 15.529 0.886 1.00 50.30 N ATOM 107 CA ALA A 17 -6.350 16.881 0.437 1.00 41.43 C ATOM 108 C ALA A 17 -5.686 17.922 1.332 1.00 63.11 C ATOM 109 O ALA A 17 -5.457 17.680 2.517 1.00 23.31 O ATOM 110 CB ALA A 17 -7.856 17.096 0.402 1.00 22.02 C ATOM 0 H ALA A 17 -6.842 15.015 1.255 1.00 50.30 H new ATOM 0 HA ALA A 17 -5.953 17.001 -0.571 1.00 41.43 H new ATOM 0 HB1 ALA A 17 -8.071 18.110 0.065 1.00 22.02 H new ATOM 0 HB2 ALA A 17 -8.310 16.381 -0.285 1.00 22.02 H new ATOM 0 HB3 ALA A 17 -8.268 16.951 1.401 1.00 22.02 H new ATOM 116 N ASP A 18 -5.378 19.080 0.758 1.00 70.44 N ATOM 117 CA ASP A 18 -4.740 20.158 1.504 1.00 30.31 C ATOM 118 C ASP A 18 -5.534 20.491 2.763 1.00 14.30 C ATOM 119 O ASP A 18 -4.960 20.801 3.806 1.00 12.32 O ATOM 120 CB ASP A 18 -4.604 21.403 0.627 1.00 50.21 C ATOM 121 CG ASP A 18 -3.699 21.174 -0.568 1.00 35.11 C ATOM 122 OD1 ASP A 18 -2.525 20.804 -0.360 1.00 51.31 O ATOM 123 OD2 ASP A 18 -4.166 21.365 -1.711 1.00 23.02 O ATOM 0 H ASP A 18 -5.560 19.296 -0.222 1.00 70.44 H new ATOM 0 HA ASP A 18 -3.746 19.823 1.801 1.00 30.31 H new ATOM 0 HB2 ASP A 18 -5.591 21.708 0.279 1.00 50.21 H new ATOM 0 HB3 ASP A 18 -4.210 22.224 1.226 1.00 50.21 H new ATOM 128 N GLU A 19 -6.858 20.426 2.656 1.00 1.12 N ATOM 129 CA GLU A 19 -7.730 20.723 3.786 1.00 14.31 C ATOM 130 C GLU A 19 -7.413 19.817 4.972 1.00 62.21 C ATOM 131 O GLU A 19 -7.359 20.270 6.116 1.00 63.30 O ATOM 132 CB GLU A 19 -9.197 20.559 3.383 1.00 14.33 C ATOM 133 CG GLU A 19 -9.525 19.185 2.824 1.00 50.11 C ATOM 134 CD GLU A 19 -10.716 19.206 1.885 1.00 21.15 C ATOM 135 OE1 GLU A 19 -11.745 19.815 2.245 1.00 30.43 O ATOM 136 OE2 GLU A 19 -10.618 18.613 0.790 1.00 1.25 O ATOM 0 H GLU A 19 -7.349 20.171 1.799 1.00 1.12 H new ATOM 0 HA GLU A 19 -7.555 21.757 4.084 1.00 14.31 H new ATOM 0 HB2 GLU A 19 -9.827 20.748 4.252 1.00 14.33 H new ATOM 0 HB3 GLU A 19 -9.447 21.314 2.638 1.00 14.33 H new ATOM 0 HG2 GLU A 19 -8.656 18.796 2.294 1.00 50.11 H new ATOM 0 HG3 GLU A 19 -9.729 18.501 3.648 1.00 50.11 H new ATOM 143 N CYS A 20 -7.204 18.536 4.690 1.00 35.41 N ATOM 144 CA CYS A 20 -6.894 17.564 5.733 1.00 44.21 C ATOM 145 C CYS A 20 -5.538 17.860 6.365 1.00 5.30 C ATOM 146 O CYS A 20 -5.375 17.772 7.582 1.00 34.42 O ATOM 147 CB CYS A 20 -6.903 16.147 5.158 1.00 53.01 C ATOM 148 SG CYS A 20 -8.517 15.334 5.226 1.00 62.11 S ATOM 0 H CYS A 20 -7.243 18.146 3.748 1.00 35.41 H new ATOM 0 HA CYS A 20 -7.660 17.640 6.505 1.00 44.21 H new ATOM 0 HB2 CYS A 20 -6.571 16.185 4.121 1.00 53.01 H new ATOM 0 HB3 CYS A 20 -6.179 15.541 5.703 1.00 53.01 H new ATOM 0 HG CYS A 20 -8.351 14.050 5.339 1.00 62.11 H new ATOM 154 N VAL A 21 -4.565 18.211 5.530 1.00 41.04 N ATOM 155 CA VAL A 21 -3.222 18.520 6.006 1.00 20.32 C ATOM 156 C VAL A 21 -3.243 19.681 6.994 1.00 22.41 C ATOM 157 O VAL A 21 -2.713 19.579 8.101 1.00 21.21 O ATOM 158 CB VAL A 21 -2.279 18.869 4.840 1.00 40.43 C ATOM 159 CG1 VAL A 21 -0.853 19.046 5.340 1.00 54.22 C ATOM 160 CG2 VAL A 21 -2.346 17.798 3.762 1.00 45.13 C ATOM 0 H VAL A 21 -4.682 18.288 4.520 1.00 41.04 H new ATOM 0 HA VAL A 21 -2.851 17.626 6.508 1.00 20.32 H new ATOM 0 HB VAL A 21 -2.604 19.813 4.403 1.00 40.43 H new ATOM 0 HG11 VAL A 21 -0.201 19.292 4.502 1.00 54.22 H new ATOM 0 HG12 VAL A 21 -0.822 19.852 6.073 1.00 54.22 H new ATOM 0 HG13 VAL A 21 -0.513 18.120 5.804 1.00 54.22 H new ATOM 0 HG21 VAL A 21 -1.673 18.061 2.946 1.00 45.13 H new ATOM 0 HG22 VAL A 21 -2.047 16.838 4.184 1.00 45.13 H new ATOM 0 HG23 VAL A 21 -3.366 17.726 3.383 1.00 45.13 H new ATOM 170 N THR A 22 -3.859 20.786 6.587 1.00 13.01 N ATOM 171 CA THR A 22 -3.949 21.968 7.436 1.00 72.55 C ATOM 172 C THR A 22 -4.742 21.675 8.704 1.00 73.51 C ATOM 173 O THR A 22 -4.376 22.117 9.792 1.00 31.13 O ATOM 174 CB THR A 22 -4.608 23.144 6.692 1.00 54.42 C ATOM 175 OG1 THR A 22 -4.152 23.184 5.335 1.00 2.12 O ATOM 176 CG2 THR A 22 -4.291 24.464 7.378 1.00 44.40 C ATOM 0 H THR A 22 -4.303 20.887 5.674 1.00 13.01 H new ATOM 0 HA THR A 22 -2.929 22.243 7.705 1.00 72.55 H new ATOM 0 HB THR A 22 -5.688 22.995 6.707 1.00 54.42 H new ATOM 0 HG1 THR A 22 -4.572 22.459 4.827 1.00 2.12 H new ATOM 0 HG21 THR A 22 -4.767 25.280 6.834 1.00 44.40 H new ATOM 0 HG22 THR A 22 -4.666 24.442 8.401 1.00 44.40 H new ATOM 0 HG23 THR A 22 -3.212 24.618 7.391 1.00 44.40 H new ATOM 184 N ALA A 23 -5.830 20.926 8.556 1.00 33.42 N ATOM 185 CA ALA A 23 -6.674 20.571 9.691 1.00 4.30 C ATOM 186 C ALA A 23 -5.875 19.829 10.758 1.00 55.24 C ATOM 187 O ALA A 23 -5.990 20.121 11.949 1.00 40.22 O ATOM 188 CB ALA A 23 -7.853 19.728 9.229 1.00 2.03 C ATOM 0 H ALA A 23 -6.148 20.553 7.661 1.00 33.42 H new ATOM 0 HA ALA A 23 -7.053 21.492 10.133 1.00 4.30 H new ATOM 0 HB1 ALA A 23 -8.474 19.470 10.087 1.00 2.03 H new ATOM 0 HB2 ALA A 23 -8.445 20.293 8.509 1.00 2.03 H new ATOM 0 HB3 ALA A 23 -7.486 18.815 8.760 1.00 2.03 H new ATOM 194 N LEU A 24 -5.068 18.868 10.323 1.00 2.14 N ATOM 195 CA LEU A 24 -4.250 18.083 11.242 1.00 73.23 C ATOM 196 C LEU A 24 -3.153 18.940 11.863 1.00 3.51 C ATOM 197 O LEU A 24 -2.860 18.825 13.052 1.00 2.23 O ATOM 198 CB LEU A 24 -3.630 16.891 10.511 1.00 23.31 C ATOM 199 CG LEU A 24 -4.611 15.851 9.969 1.00 41.14 C ATOM 200 CD1 LEU A 24 -3.917 14.926 8.981 1.00 42.21 C ATOM 201 CD2 LEU A 24 -5.226 15.052 11.108 1.00 1.25 C ATOM 0 H LEU A 24 -4.962 18.613 9.341 1.00 2.14 H new ATOM 0 HA LEU A 24 -4.894 17.717 12.041 1.00 73.23 H new ATOM 0 HB2 LEU A 24 -3.037 17.270 9.679 1.00 23.31 H new ATOM 0 HB3 LEU A 24 -2.941 16.391 11.192 1.00 23.31 H new ATOM 0 HG LEU A 24 -5.411 16.374 9.445 1.00 41.14 H new ATOM 0 HD11 LEU A 24 -4.631 14.193 8.606 1.00 42.21 H new ATOM 0 HD12 LEU A 24 -3.526 15.511 8.148 1.00 42.21 H new ATOM 0 HD13 LEU A 24 -3.096 14.411 9.480 1.00 42.21 H new ATOM 0 HD21 LEU A 24 -5.921 14.317 10.703 1.00 1.25 H new ATOM 0 HD22 LEU A 24 -4.438 14.540 11.660 1.00 1.25 H new ATOM 0 HD23 LEU A 24 -5.760 15.726 11.778 1.00 1.25 H new ATOM 213 N ASN A 25 -2.550 19.802 11.050 1.00 54.21 N ATOM 214 CA ASN A 25 -1.486 20.681 11.520 1.00 10.24 C ATOM 215 C ASN A 25 -1.971 21.554 12.674 1.00 72.10 C ATOM 216 O ASN A 25 -1.290 21.692 13.690 1.00 12.42 O ATOM 217 CB ASN A 25 -0.981 21.563 10.376 1.00 32.14 C ATOM 218 CG ASN A 25 0.049 20.858 9.515 1.00 40.51 C ATOM 219 OD1 ASN A 25 -0.111 19.688 9.169 1.00 25.22 O ATOM 220 ND2 ASN A 25 1.113 21.571 9.164 1.00 25.23 N ATOM 0 H ASN A 25 -2.781 19.910 10.062 1.00 54.21 H new ATOM 0 HA ASN A 25 -0.667 20.058 11.878 1.00 10.24 H new ATOM 0 HB2 ASN A 25 -1.824 21.866 9.755 1.00 32.14 H new ATOM 0 HB3 ASN A 25 -0.545 22.473 10.788 1.00 32.14 H new ATOM 0 HD21 ASN A 25 1.840 21.151 8.584 1.00 25.23 H new ATOM 0 HD22 ASN A 25 1.204 22.538 9.474 1.00 25.23 H new ATOM 227 N ASP A 26 -3.152 22.139 12.509 1.00 12.43 N ATOM 228 CA ASP A 26 -3.730 22.997 13.537 1.00 12.40 C ATOM 229 C ASP A 26 -4.200 22.173 14.732 1.00 54.44 C ATOM 230 O ASP A 26 -4.074 22.598 15.881 1.00 54.41 O ATOM 231 CB ASP A 26 -4.899 23.800 12.964 1.00 50.05 C ATOM 232 CG ASP A 26 -4.447 24.849 11.967 1.00 52.22 C ATOM 233 OD1 ASP A 26 -3.427 25.519 12.232 1.00 41.33 O ATOM 234 OD2 ASP A 26 -5.113 25.000 10.921 1.00 32.44 O ATOM 0 H ASP A 26 -3.728 22.035 11.674 1.00 12.43 H new ATOM 0 HA ASP A 26 -2.957 23.687 13.876 1.00 12.40 H new ATOM 0 HB2 ASP A 26 -5.600 23.120 12.479 1.00 50.05 H new ATOM 0 HB3 ASP A 26 -5.437 24.285 13.779 1.00 50.05 H new ATOM 239 N LEU A 27 -4.743 20.994 14.453 1.00 75.42 N ATOM 240 CA LEU A 27 -5.234 20.109 15.504 1.00 10.44 C ATOM 241 C LEU A 27 -4.114 19.741 16.473 1.00 53.15 C ATOM 242 O LEU A 27 -4.332 19.643 17.680 1.00 2.33 O ATOM 243 CB LEU A 27 -5.833 18.841 14.894 1.00 52.55 C ATOM 244 CG LEU A 27 -6.768 18.038 15.798 1.00 74.01 C ATOM 245 CD1 LEU A 27 -8.221 18.368 15.491 1.00 30.04 C ATOM 246 CD2 LEU A 27 -6.513 16.546 15.638 1.00 13.32 C ATOM 0 H LEU A 27 -4.855 20.628 13.508 1.00 75.42 H new ATOM 0 HA LEU A 27 -6.009 20.639 16.057 1.00 10.44 H new ATOM 0 HB2 LEU A 27 -6.381 19.119 13.994 1.00 52.55 H new ATOM 0 HB3 LEU A 27 -5.016 18.191 14.582 1.00 52.55 H new ATOM 0 HG LEU A 27 -6.565 18.312 16.833 1.00 74.01 H new ATOM 0 HD11 LEU A 27 -8.872 17.787 16.144 1.00 30.04 H new ATOM 0 HD12 LEU A 27 -8.396 19.431 15.657 1.00 30.04 H new ATOM 0 HD13 LEU A 27 -8.438 18.123 14.451 1.00 30.04 H new ATOM 0 HD21 LEU A 27 -7.187 15.990 16.289 1.00 13.32 H new ATOM 0 HD22 LEU A 27 -6.688 16.256 14.602 1.00 13.32 H new ATOM 0 HD23 LEU A 27 -5.481 16.322 15.908 1.00 13.32 H new ATOM 258 N ARG A 28 -2.916 19.540 15.934 1.00 0.22 N ATOM 259 CA ARG A 28 -1.762 19.184 16.751 1.00 62.15 C ATOM 260 C ARG A 28 -1.424 20.302 17.732 1.00 1.30 C ATOM 261 O ARG A 28 -0.812 20.064 18.774 1.00 15.42 O ATOM 262 CB ARG A 28 -0.553 18.889 15.861 1.00 64.00 C ATOM 263 CG ARG A 28 0.316 20.106 15.591 1.00 5.53 C ATOM 264 CD ARG A 28 1.006 20.011 14.239 1.00 34.52 C ATOM 265 NE ARG A 28 2.323 19.387 14.339 1.00 14.30 N ATOM 266 CZ ARG A 28 3.056 19.047 13.285 1.00 24.13 C ATOM 267 NH1 ARG A 28 2.604 19.269 12.059 1.00 62.31 N ATOM 268 NH2 ARG A 28 4.245 18.484 13.457 1.00 25.24 N ATOM 0 H ARG A 28 -2.719 19.617 14.936 1.00 0.22 H new ATOM 0 HA ARG A 28 -2.013 18.289 17.320 1.00 62.15 H new ATOM 0 HB2 ARG A 28 0.055 18.117 16.332 1.00 64.00 H new ATOM 0 HB3 ARG A 28 -0.902 18.484 14.911 1.00 64.00 H new ATOM 0 HG2 ARG A 28 -0.297 21.007 15.625 1.00 5.53 H new ATOM 0 HG3 ARG A 28 1.065 20.201 16.377 1.00 5.53 H new ATOM 0 HD2 ARG A 28 0.383 19.436 13.554 1.00 34.52 H new ATOM 0 HD3 ARG A 28 1.109 21.009 13.814 1.00 34.52 H new ATOM 0 HE ARG A 28 2.700 19.202 15.269 1.00 14.30 H new ATOM 0 HH11 ARG A 28 1.691 19.702 11.923 1.00 62.31 H new ATOM 0 HH12 ARG A 28 3.170 19.007 11.252 1.00 62.31 H new ATOM 0 HH21 ARG A 28 4.596 18.312 14.399 1.00 25.24 H new ATOM 0 HH22 ARG A 28 4.808 18.223 12.647 1.00 25.24 H new ATOM 282 N HIS A 29 -1.826 21.523 17.392 1.00 63.14 N ATOM 283 CA HIS A 29 -1.566 22.678 18.243 1.00 43.53 C ATOM 284 C HIS A 29 -2.748 22.949 19.168 1.00 74.02 C ATOM 285 O HIS A 29 -2.902 24.053 19.690 1.00 1.23 O ATOM 286 CB HIS A 29 -1.279 23.913 17.388 1.00 4.53 C ATOM 287 CG HIS A 29 -0.086 24.695 17.846 1.00 24.42 C ATOM 288 ND1 HIS A 29 -0.122 25.567 18.914 1.00 64.24 N ATOM 289 CD2 HIS A 29 1.183 24.730 17.376 1.00 22.21 C ATOM 290 CE1 HIS A 29 1.073 26.106 19.079 1.00 11.11 C ATOM 291 NE2 HIS A 29 1.883 25.615 18.159 1.00 22.51 N ATOM 0 H HIS A 29 -2.333 21.737 16.533 1.00 63.14 H new ATOM 0 HA HIS A 29 -0.692 22.457 18.855 1.00 43.53 H new ATOM 0 HB2 HIS A 29 -1.124 23.602 16.355 1.00 4.53 H new ATOM 0 HB3 HIS A 29 -2.154 24.563 17.397 1.00 4.53 H new ATOM 0 HD2 HIS A 29 1.572 24.167 16.541 1.00 22.21 H new ATOM 0 HE1 HIS A 29 1.342 26.826 19.838 1.00 11.11 H new ATOM 0 HE2 HIS A 29 2.868 25.854 18.048 1.00 22.51 H new ATOM 299 N LYS A 30 -3.583 21.934 19.365 1.00 1.15 N ATOM 300 CA LYS A 30 -4.752 22.061 20.227 1.00 20.15 C ATOM 301 C LYS A 30 -5.644 23.210 19.768 1.00 34.44 C ATOM 302 O LYS A 30 -6.088 24.026 20.576 1.00 5.50 O ATOM 303 CB LYS A 30 -4.320 22.285 21.678 1.00 4.42 C ATOM 304 CG LYS A 30 -3.234 21.330 22.144 1.00 13.41 C ATOM 305 CD LYS A 30 -3.024 21.416 23.647 1.00 62.45 C ATOM 306 CE LYS A 30 -1.783 22.226 23.990 1.00 34.05 C ATOM 307 NZ LYS A 30 -1.669 22.471 25.455 1.00 74.01 N ATOM 0 H LYS A 30 -3.472 21.014 18.939 1.00 1.15 H new ATOM 0 HA LYS A 30 -5.322 21.134 20.163 1.00 20.15 H new ATOM 0 HB2 LYS A 30 -3.963 23.309 21.788 1.00 4.42 H new ATOM 0 HB3 LYS A 30 -5.189 22.179 22.327 1.00 4.42 H new ATOM 0 HG2 LYS A 30 -3.504 20.310 21.871 1.00 13.41 H new ATOM 0 HG3 LYS A 30 -2.300 21.561 21.631 1.00 13.41 H new ATOM 0 HD2 LYS A 30 -3.898 21.872 24.112 1.00 62.45 H new ATOM 0 HD3 LYS A 30 -2.930 20.412 24.061 1.00 62.45 H new ATOM 0 HE2 LYS A 30 -0.896 21.698 23.640 1.00 34.05 H new ATOM 0 HE3 LYS A 30 -1.815 23.180 23.463 1.00 34.05 H new ATOM 0 HZ1 LYS A 30 -1.150 23.357 25.619 1.00 74.01 H new ATOM 0 HZ2 LYS A 30 -2.620 22.545 25.870 1.00 74.01 H new ATOM 0 HZ3 LYS A 30 -1.158 21.682 25.900 1.00 74.01 H new ATOM 321 N LYS A 31 -5.906 23.266 18.467 1.00 62.01 N ATOM 322 CA LYS A 31 -6.748 24.313 17.900 1.00 62.53 C ATOM 323 C LYS A 31 -8.219 24.056 18.212 1.00 43.32 C ATOM 324 O LYS A 31 -9.006 24.992 18.349 1.00 52.53 O ATOM 325 CB LYS A 31 -6.544 24.395 16.385 1.00 4.23 C ATOM 326 CG LYS A 31 -7.191 23.254 15.621 1.00 34.50 C ATOM 327 CD LYS A 31 -8.565 23.640 15.100 1.00 52.24 C ATOM 328 CE LYS A 31 -9.115 22.591 14.145 1.00 45.32 C ATOM 329 NZ LYS A 31 -8.873 22.956 12.721 1.00 12.34 N ATOM 0 H LYS A 31 -5.547 22.598 17.785 1.00 62.01 H new ATOM 0 HA LYS A 31 -6.459 25.262 18.352 1.00 62.53 H new ATOM 0 HB2 LYS A 31 -6.950 25.340 16.023 1.00 4.23 H new ATOM 0 HB3 LYS A 31 -5.475 24.404 16.171 1.00 4.23 H new ATOM 0 HG2 LYS A 31 -6.552 22.966 14.786 1.00 34.50 H new ATOM 0 HG3 LYS A 31 -7.279 22.383 16.271 1.00 34.50 H new ATOM 0 HD2 LYS A 31 -9.251 23.766 15.938 1.00 52.24 H new ATOM 0 HD3 LYS A 31 -8.505 24.602 14.590 1.00 52.24 H new ATOM 0 HE2 LYS A 31 -8.651 21.628 14.357 1.00 45.32 H new ATOM 0 HE3 LYS A 31 -10.185 22.473 14.313 1.00 45.32 H new ATOM 0 HZ1 LYS A 31 -9.262 22.216 12.102 1.00 12.34 H new ATOM 0 HZ2 LYS A 31 -9.337 23.863 12.511 1.00 12.34 H new ATOM 0 HZ3 LYS A 31 -7.850 23.044 12.554 1.00 12.34 H new ATOM 343 N SER A 32 -8.582 22.783 18.324 1.00 30.32 N ATOM 344 CA SER A 32 -9.959 22.404 18.618 1.00 31.31 C ATOM 345 C SER A 32 -10.003 21.219 19.579 1.00 54.40 C ATOM 346 O SER A 32 -10.275 21.381 20.769 1.00 41.32 O ATOM 347 CB SER A 32 -10.701 22.055 17.326 1.00 31.04 C ATOM 348 OG SER A 32 -11.661 23.047 17.006 1.00 41.11 O ATOM 0 H SER A 32 -7.942 21.996 18.216 1.00 30.32 H new ATOM 0 HA SER A 32 -10.450 23.253 19.093 1.00 31.31 H new ATOM 0 HB2 SER A 32 -9.987 21.958 16.508 1.00 31.04 H new ATOM 0 HB3 SER A 32 -11.194 21.089 17.436 1.00 31.04 H new ATOM 0 HG SER A 32 -11.888 22.987 16.055 1.00 41.11 H new ATOM 354 N ARG A 33 -9.735 20.029 19.053 1.00 22.33 N ATOM 355 CA ARG A 33 -9.745 18.816 19.863 1.00 41.31 C ATOM 356 C ARG A 33 -9.417 17.592 19.013 1.00 5.30 C ATOM 357 O ARG A 33 -8.362 16.977 19.173 1.00 1.44 O ATOM 358 CB ARG A 33 -11.109 18.635 20.531 1.00 0.33 C ATOM 359 CG ARG A 33 -11.024 18.366 22.025 1.00 74.42 C ATOM 360 CD ARG A 33 -10.299 17.061 22.315 1.00 10.01 C ATOM 361 NE ARG A 33 -11.144 16.114 23.037 1.00 32.22 N ATOM 362 CZ ARG A 33 -11.341 16.158 24.350 1.00 34.41 C ATOM 363 NH1 ARG A 33 -10.757 17.097 25.081 1.00 55.45 N ATOM 364 NH2 ARG A 33 -12.125 15.260 24.935 1.00 43.22 N ATOM 0 H ARG A 33 -9.508 19.878 18.070 1.00 22.33 H new ATOM 0 HA ARG A 33 -8.981 18.917 20.634 1.00 41.31 H new ATOM 0 HB2 ARG A 33 -11.707 19.531 20.365 1.00 0.33 H new ATOM 0 HB3 ARG A 33 -11.633 17.808 20.051 1.00 0.33 H new ATOM 0 HG2 ARG A 33 -10.504 19.189 22.515 1.00 74.42 H new ATOM 0 HG3 ARG A 33 -12.028 18.327 22.447 1.00 74.42 H new ATOM 0 HD2 ARG A 33 -9.971 16.612 21.377 1.00 10.01 H new ATOM 0 HD3 ARG A 33 -9.403 17.267 22.900 1.00 10.01 H new ATOM 0 HE ARG A 33 -11.608 15.379 22.504 1.00 32.22 H new ATOM 0 HH11 ARG A 33 -10.154 17.789 24.636 1.00 55.45 H new ATOM 0 HH12 ARG A 33 -10.911 17.128 26.089 1.00 55.45 H new ATOM 0 HH21 ARG A 33 -12.576 14.536 24.376 1.00 43.22 H new ATOM 0 HH22 ARG A 33 -12.276 15.294 25.943 1.00 43.22 H new ATOM 378 N TYR A 34 -10.326 17.244 18.110 1.00 53.40 N ATOM 379 CA TYR A 34 -10.135 16.092 17.237 1.00 51.41 C ATOM 380 C TYR A 34 -10.739 16.347 15.859 1.00 20.32 C ATOM 381 O TYR A 34 -11.666 17.143 15.712 1.00 11.30 O ATOM 382 CB TYR A 34 -10.764 14.844 17.859 1.00 2.51 C ATOM 383 CG TYR A 34 -12.082 15.111 18.549 1.00 34.24 C ATOM 384 CD1 TYR A 34 -13.263 15.205 17.822 1.00 21.44 C ATOM 385 CD2 TYR A 34 -12.148 15.270 19.928 1.00 21.41 C ATOM 386 CE1 TYR A 34 -14.470 15.448 18.449 1.00 41.55 C ATOM 387 CE2 TYR A 34 -13.351 15.512 20.563 1.00 43.22 C ATOM 388 CZ TYR A 34 -14.509 15.601 19.819 1.00 43.02 C ATOM 389 OH TYR A 34 -15.709 15.844 20.447 1.00 4.12 O ATOM 0 H TYR A 34 -11.203 17.743 17.963 1.00 53.40 H new ATOM 0 HA TYR A 34 -9.063 15.930 17.120 1.00 51.41 H new ATOM 0 HB2 TYR A 34 -10.916 14.097 17.080 1.00 2.51 H new ATOM 0 HB3 TYR A 34 -10.067 14.416 18.579 1.00 2.51 H new ATOM 0 HD1 TYR A 34 -13.237 15.086 16.749 1.00 21.44 H new ATOM 0 HD2 TYR A 34 -11.243 15.203 20.514 1.00 21.41 H new ATOM 0 HE1 TYR A 34 -15.378 15.518 17.869 1.00 41.55 H new ATOM 0 HE2 TYR A 34 -13.384 15.631 21.636 1.00 43.22 H new ATOM 0 HH TYR A 34 -15.562 15.925 21.413 1.00 4.12 H new ATOM 399 N VAL A 35 -10.206 15.663 14.851 1.00 34.24 N ATOM 400 CA VAL A 35 -10.692 15.812 13.485 1.00 75.11 C ATOM 401 C VAL A 35 -10.748 14.466 12.771 1.00 23.24 C ATOM 402 O VAL A 35 -9.756 13.737 12.722 1.00 35.13 O ATOM 403 CB VAL A 35 -9.803 16.774 12.675 1.00 74.13 C ATOM 404 CG1 VAL A 35 -8.363 16.286 12.661 1.00 42.11 C ATOM 405 CG2 VAL A 35 -10.337 16.926 11.258 1.00 1.33 C ATOM 0 H VAL A 35 -9.438 15.000 14.955 1.00 34.24 H new ATOM 0 HA VAL A 35 -11.698 16.227 13.551 1.00 75.11 H new ATOM 0 HB VAL A 35 -9.825 17.753 13.154 1.00 74.13 H new ATOM 0 HG11 VAL A 35 -7.750 16.978 12.084 1.00 42.11 H new ATOM 0 HG12 VAL A 35 -7.987 16.233 13.683 1.00 42.11 H new ATOM 0 HG13 VAL A 35 -8.319 15.296 12.206 1.00 42.11 H new ATOM 0 HG21 VAL A 35 -9.697 17.609 10.699 1.00 1.33 H new ATOM 0 HG22 VAL A 35 -10.346 15.953 10.766 1.00 1.33 H new ATOM 0 HG23 VAL A 35 -11.351 17.325 11.292 1.00 1.33 H new ATOM 415 N ILE A 36 -11.912 14.142 12.219 1.00 12.52 N ATOM 416 CA ILE A 36 -12.096 12.884 11.507 1.00 51.34 C ATOM 417 C ILE A 36 -12.221 13.116 10.005 1.00 41.44 C ATOM 418 O ILE A 36 -12.921 14.027 9.563 1.00 2.33 O ATOM 419 CB ILE A 36 -13.345 12.133 12.004 1.00 21.20 C ATOM 420 CG1 ILE A 36 -13.368 12.094 13.533 1.00 12.24 C ATOM 421 CG2 ILE A 36 -13.377 10.723 11.433 1.00 55.24 C ATOM 422 CD1 ILE A 36 -14.570 11.372 14.101 1.00 22.24 C ATOM 0 H ILE A 36 -12.742 14.734 12.251 1.00 12.52 H new ATOM 0 HA ILE A 36 -11.213 12.277 11.707 1.00 51.34 H new ATOM 0 HB ILE A 36 -14.232 12.664 11.659 1.00 21.20 H new ATOM 0 HG12 ILE A 36 -12.460 11.608 13.890 1.00 12.24 H new ATOM 0 HG13 ILE A 36 -13.354 13.115 13.915 1.00 12.24 H new ATOM 0 HG21 ILE A 36 -14.266 10.205 11.793 1.00 55.24 H new ATOM 0 HG22 ILE A 36 -13.402 10.772 10.344 1.00 55.24 H new ATOM 0 HG23 ILE A 36 -12.487 10.181 11.752 1.00 55.24 H new ATOM 0 HD11 ILE A 36 -14.520 11.383 15.190 1.00 22.24 H new ATOM 0 HD12 ILE A 36 -15.482 11.871 13.774 1.00 22.24 H new ATOM 0 HD13 ILE A 36 -14.575 10.340 13.749 1.00 22.24 H new ATOM 434 N MET A 37 -11.538 12.285 9.224 1.00 35.22 N ATOM 435 CA MET A 37 -11.576 12.398 7.771 1.00 64.43 C ATOM 436 C MET A 37 -11.736 11.026 7.123 1.00 52.01 C ATOM 437 O MET A 37 -11.390 10.004 7.716 1.00 21.10 O ATOM 438 CB MET A 37 -10.301 13.071 7.257 1.00 14.14 C ATOM 439 CG MET A 37 -9.042 12.258 7.507 1.00 5.12 C ATOM 440 SD MET A 37 -7.809 13.163 8.464 1.00 74.23 S ATOM 441 CE MET A 37 -6.329 12.825 7.514 1.00 22.22 C ATOM 0 H MET A 37 -10.952 11.527 9.573 1.00 35.22 H new ATOM 0 HA MET A 37 -12.436 13.011 7.502 1.00 64.43 H new ATOM 0 HB2 MET A 37 -10.401 13.251 6.187 1.00 14.14 H new ATOM 0 HB3 MET A 37 -10.196 14.045 7.735 1.00 14.14 H new ATOM 0 HG2 MET A 37 -9.305 11.341 8.035 1.00 5.12 H new ATOM 0 HG3 MET A 37 -8.609 11.962 6.551 1.00 5.12 H new ATOM 0 HE1 MET A 37 -5.535 12.493 8.183 1.00 22.22 H new ATOM 0 HE2 MET A 37 -6.537 12.045 6.782 1.00 22.22 H new ATOM 0 HE3 MET A 37 -6.013 13.732 6.998 1.00 22.22 H new ATOM 451 N HIS A 38 -12.264 11.011 5.903 1.00 64.22 N ATOM 452 CA HIS A 38 -12.470 9.764 5.175 1.00 64.15 C ATOM 453 C HIS A 38 -11.986 9.890 3.733 1.00 4.31 C ATOM 454 O HIS A 38 -11.731 10.993 3.248 1.00 13.33 O ATOM 455 CB HIS A 38 -13.948 9.374 5.196 1.00 0.41 C ATOM 456 CG HIS A 38 -14.808 10.240 4.328 1.00 13.31 C ATOM 457 ND1 HIS A 38 -15.710 9.733 3.417 1.00 71.41 N ATOM 458 CD2 HIS A 38 -14.902 11.588 4.237 1.00 21.54 C ATOM 459 CE1 HIS A 38 -16.320 10.730 2.802 1.00 50.11 C ATOM 460 NE2 HIS A 38 -15.848 11.866 3.282 1.00 40.51 N ATOM 0 H HIS A 38 -12.557 11.848 5.398 1.00 64.22 H new ATOM 0 HA HIS A 38 -11.889 8.985 5.668 1.00 64.15 H new ATOM 0 HB2 HIS A 38 -14.047 8.338 4.873 1.00 0.41 H new ATOM 0 HB3 HIS A 38 -14.314 9.424 6.221 1.00 0.41 H new ATOM 0 HD2 HIS A 38 -14.338 12.310 4.809 1.00 21.54 H new ATOM 0 HE1 HIS A 38 -17.076 10.633 2.037 1.00 50.11 H new ATOM 0 HE2 HIS A 38 -16.139 12.799 2.990 1.00 40.51 H new ATOM 468 N ILE A 39 -11.860 8.755 3.055 1.00 71.24 N ATOM 469 CA ILE A 39 -11.407 8.739 1.669 1.00 0.43 C ATOM 470 C ILE A 39 -12.571 8.951 0.708 1.00 53.53 C ATOM 471 O ILE A 39 -13.569 8.232 0.755 1.00 21.41 O ATOM 472 CB ILE A 39 -10.704 7.414 1.322 1.00 43.13 C ATOM 473 CG1 ILE A 39 -9.616 7.103 2.352 1.00 11.10 C ATOM 474 CG2 ILE A 39 -10.112 7.480 -0.078 1.00 65.01 C ATOM 475 CD1 ILE A 39 -8.845 5.837 2.053 1.00 61.30 C ATOM 0 H ILE A 39 -12.065 7.834 3.442 1.00 71.24 H new ATOM 0 HA ILE A 39 -10.695 9.558 1.560 1.00 0.43 H new ATOM 0 HB ILE A 39 -11.441 6.611 1.347 1.00 43.13 H new ATOM 0 HG12 ILE A 39 -8.920 7.941 2.397 1.00 11.10 H new ATOM 0 HG13 ILE A 39 -10.074 7.016 3.337 1.00 11.10 H new ATOM 0 HG21 ILE A 39 -9.618 6.536 -0.309 1.00 65.01 H new ATOM 0 HG22 ILE A 39 -10.907 7.660 -0.801 1.00 65.01 H new ATOM 0 HG23 ILE A 39 -9.386 8.291 -0.128 1.00 65.01 H new ATOM 0 HD11 ILE A 39 -8.091 5.680 2.824 1.00 61.30 H new ATOM 0 HD12 ILE A 39 -9.530 4.989 2.037 1.00 61.30 H new ATOM 0 HD13 ILE A 39 -8.358 5.928 1.082 1.00 61.30 H new ATOM 487 N VAL A 40 -12.437 9.944 -0.166 1.00 64.14 N ATOM 488 CA VAL A 40 -13.476 10.250 -1.142 1.00 60.52 C ATOM 489 C VAL A 40 -13.033 9.875 -2.552 1.00 75.41 C ATOM 490 O VAL A 40 -11.941 10.238 -2.988 1.00 51.02 O ATOM 491 CB VAL A 40 -13.851 11.743 -1.114 1.00 3.22 C ATOM 492 CG1 VAL A 40 -14.911 12.048 -2.161 1.00 20.10 C ATOM 493 CG2 VAL A 40 -14.328 12.146 0.273 1.00 33.03 C ATOM 0 H VAL A 40 -11.618 10.550 -0.218 1.00 64.14 H new ATOM 0 HA VAL A 40 -14.350 9.659 -0.869 1.00 60.52 H new ATOM 0 HB VAL A 40 -12.962 12.327 -1.352 1.00 3.22 H new ATOM 0 HG11 VAL A 40 -15.163 13.108 -2.126 1.00 20.10 H new ATOM 0 HG12 VAL A 40 -14.527 11.799 -3.150 1.00 20.10 H new ATOM 0 HG13 VAL A 40 -15.804 11.456 -1.958 1.00 20.10 H new ATOM 0 HG21 VAL A 40 -14.589 13.204 0.275 1.00 33.03 H new ATOM 0 HG22 VAL A 40 -15.204 11.556 0.542 1.00 33.03 H new ATOM 0 HG23 VAL A 40 -13.533 11.967 0.997 1.00 33.03 H new ATOM 503 N ASP A 41 -13.889 9.146 -3.260 1.00 71.04 N ATOM 504 CA ASP A 41 -13.588 8.722 -4.623 1.00 5.41 C ATOM 505 C ASP A 41 -12.365 7.810 -4.650 1.00 52.14 C ATOM 506 O ASP A 41 -11.775 7.580 -5.705 1.00 41.25 O ATOM 507 CB ASP A 41 -13.351 9.940 -5.518 1.00 2.14 C ATOM 508 CG ASP A 41 -14.017 9.802 -6.872 1.00 73.52 C ATOM 509 OD1 ASP A 41 -15.250 9.988 -6.948 1.00 64.44 O ATOM 510 OD2 ASP A 41 -13.307 9.506 -7.856 1.00 42.11 O ATOM 0 H ASP A 41 -14.797 8.836 -2.913 1.00 71.04 H new ATOM 0 HA ASP A 41 -14.444 8.164 -5.002 1.00 5.41 H new ATOM 0 HB2 ASP A 41 -13.729 10.832 -5.020 1.00 2.14 H new ATOM 0 HB3 ASP A 41 -12.279 10.082 -5.656 1.00 2.14 H new ATOM 515 N GLN A 42 -11.991 7.295 -3.484 1.00 33.13 N ATOM 516 CA GLN A 42 -10.838 6.409 -3.375 1.00 0.43 C ATOM 517 C GLN A 42 -9.629 7.000 -4.092 1.00 64.21 C ATOM 518 O GLN A 42 -8.795 6.271 -4.630 1.00 73.44 O ATOM 519 CB GLN A 42 -11.168 5.033 -3.955 1.00 54.20 C ATOM 520 CG GLN A 42 -12.440 4.423 -3.388 1.00 22.14 C ATOM 521 CD GLN A 42 -12.647 2.988 -3.831 1.00 41.12 C ATOM 522 OE1 GLN A 42 -11.728 2.344 -4.338 1.00 40.23 O ATOM 523 NE2 GLN A 42 -13.858 2.479 -3.642 1.00 35.31 N ATOM 0 H GLN A 42 -12.469 7.476 -2.601 1.00 33.13 H new ATOM 0 HA GLN A 42 -10.594 6.300 -2.318 1.00 0.43 H new ATOM 0 HB2 GLN A 42 -11.267 5.118 -5.037 1.00 54.20 H new ATOM 0 HB3 GLN A 42 -10.334 4.358 -3.763 1.00 54.20 H new ATOM 0 HG2 GLN A 42 -12.403 4.461 -2.299 1.00 22.14 H new ATOM 0 HG3 GLN A 42 -13.296 5.022 -3.699 1.00 22.14 H new ATOM 0 HE21 GLN A 42 -14.590 3.049 -3.218 1.00 35.31 H new ATOM 0 HE22 GLN A 42 -14.057 1.518 -3.921 1.00 35.31 H new ATOM 532 N LYS A 43 -9.538 8.325 -4.096 1.00 55.43 N ATOM 533 CA LYS A 43 -8.431 9.015 -4.747 1.00 2.55 C ATOM 534 C LYS A 43 -8.043 10.271 -3.973 1.00 5.33 C ATOM 535 O LYS A 43 -6.860 10.570 -3.809 1.00 43.22 O ATOM 536 CB LYS A 43 -8.806 9.385 -6.184 1.00 20.35 C ATOM 537 CG LYS A 43 -8.401 8.337 -7.206 1.00 43.32 C ATOM 538 CD LYS A 43 -9.149 8.518 -8.516 1.00 42.43 C ATOM 539 CE LYS A 43 -8.372 7.935 -9.687 1.00 11.51 C ATOM 540 NZ LYS A 43 -8.907 8.403 -10.996 1.00 11.25 N ATOM 0 H LYS A 43 -10.219 8.944 -3.655 1.00 55.43 H new ATOM 0 HA LYS A 43 -7.575 8.340 -4.764 1.00 2.55 H new ATOM 0 HB2 LYS A 43 -9.883 9.539 -6.241 1.00 20.35 H new ATOM 0 HB3 LYS A 43 -8.334 10.333 -6.441 1.00 20.35 H new ATOM 0 HG2 LYS A 43 -7.328 8.399 -7.387 1.00 43.32 H new ATOM 0 HG3 LYS A 43 -8.600 7.342 -6.807 1.00 43.32 H new ATOM 0 HD2 LYS A 43 -10.124 8.036 -8.449 1.00 42.43 H new ATOM 0 HD3 LYS A 43 -9.329 9.579 -8.690 1.00 42.43 H new ATOM 0 HE2 LYS A 43 -7.322 8.216 -9.602 1.00 11.51 H new ATOM 0 HE3 LYS A 43 -8.415 6.847 -9.645 1.00 11.51 H new ATOM 0 HZ1 LYS A 43 -8.351 7.984 -11.768 1.00 11.25 H new ATOM 0 HZ2 LYS A 43 -9.901 8.113 -11.088 1.00 11.25 H new ATOM 0 HZ3 LYS A 43 -8.843 9.440 -11.047 1.00 11.25 H new ATOM 554 N SER A 44 -9.046 11.002 -3.497 1.00 70.14 N ATOM 555 CA SER A 44 -8.809 12.227 -2.742 1.00 71.24 C ATOM 556 C SER A 44 -9.484 12.162 -1.376 1.00 30.33 C ATOM 557 O SER A 44 -10.682 11.894 -1.275 1.00 63.01 O ATOM 558 CB SER A 44 -9.324 13.439 -3.521 1.00 75.31 C ATOM 559 OG SER A 44 -8.264 14.314 -3.862 1.00 42.33 O ATOM 0 H SER A 44 -10.031 10.767 -3.621 1.00 70.14 H new ATOM 0 HA SER A 44 -7.734 12.330 -2.592 1.00 71.24 H new ATOM 0 HB2 SER A 44 -9.830 13.105 -4.427 1.00 75.31 H new ATOM 0 HB3 SER A 44 -10.062 13.973 -2.923 1.00 75.31 H new ATOM 0 HG SER A 44 -8.619 15.079 -4.361 1.00 42.33 H new ATOM 565 N ILE A 45 -8.707 12.408 -0.327 1.00 3.33 N ATOM 566 CA ILE A 45 -9.229 12.379 1.034 1.00 65.01 C ATOM 567 C ILE A 45 -9.944 13.681 1.376 1.00 11.35 C ATOM 568 O ILE A 45 -9.417 14.770 1.147 1.00 75.40 O ATOM 569 CB ILE A 45 -8.108 12.137 2.062 1.00 65.43 C ATOM 570 CG1 ILE A 45 -7.232 10.959 1.626 1.00 14.44 C ATOM 571 CG2 ILE A 45 -8.699 11.883 3.440 1.00 23.24 C ATOM 572 CD1 ILE A 45 -6.081 10.682 2.567 1.00 1.13 C ATOM 0 H ILE A 45 -7.714 12.630 -0.393 1.00 3.33 H new ATOM 0 HA ILE A 45 -9.939 11.554 1.082 1.00 65.01 H new ATOM 0 HB ILE A 45 -7.484 13.029 2.115 1.00 65.43 H new ATOM 0 HG12 ILE A 45 -7.851 10.065 1.549 1.00 14.44 H new ATOM 0 HG13 ILE A 45 -6.837 11.160 0.630 1.00 14.44 H new ATOM 0 HG21 ILE A 45 -7.894 11.714 4.155 1.00 23.24 H new ATOM 0 HG22 ILE A 45 -9.284 12.749 3.750 1.00 23.24 H new ATOM 0 HG23 ILE A 45 -9.343 11.004 3.403 1.00 23.24 H new ATOM 0 HD11 ILE A 45 -5.503 9.835 2.196 1.00 1.13 H new ATOM 0 HD12 ILE A 45 -5.439 11.561 2.626 1.00 1.13 H new ATOM 0 HD13 ILE A 45 -6.470 10.450 3.559 1.00 1.13 H new ATOM 584 N ALA A 46 -11.147 13.562 1.929 1.00 61.42 N ATOM 585 CA ALA A 46 -11.933 14.729 2.307 1.00 14.10 C ATOM 586 C ALA A 46 -12.417 14.622 3.749 1.00 25.34 C ATOM 587 O ALA A 46 -12.446 13.534 4.326 1.00 43.23 O ATOM 588 CB ALA A 46 -13.115 14.897 1.364 1.00 53.43 C ATOM 0 H ALA A 46 -11.598 12.668 2.125 1.00 61.42 H new ATOM 0 HA ALA A 46 -11.292 15.607 2.230 1.00 14.10 H new ATOM 0 HB1 ALA A 46 -13.694 15.773 1.658 1.00 53.43 H new ATOM 0 HB2 ALA A 46 -12.752 15.028 0.345 1.00 53.43 H new ATOM 0 HB3 ALA A 46 -13.748 14.011 1.413 1.00 53.43 H new ATOM 594 N VAL A 47 -12.794 15.757 4.328 1.00 13.22 N ATOM 595 CA VAL A 47 -13.277 15.791 5.704 1.00 64.53 C ATOM 596 C VAL A 47 -14.710 15.279 5.796 1.00 0.41 C ATOM 597 O VAL A 47 -15.551 15.600 4.956 1.00 1.41 O ATOM 598 CB VAL A 47 -13.213 17.215 6.287 1.00 65.24 C ATOM 599 CG1 VAL A 47 -14.131 18.150 5.515 1.00 73.42 C ATOM 600 CG2 VAL A 47 -13.571 17.202 7.765 1.00 73.32 C ATOM 0 H VAL A 47 -12.774 16.666 3.866 1.00 13.22 H new ATOM 0 HA VAL A 47 -12.624 15.140 6.285 1.00 64.53 H new ATOM 0 HB VAL A 47 -12.192 17.584 6.188 1.00 65.24 H new ATOM 0 HG11 VAL A 47 -14.072 19.151 5.941 1.00 73.42 H new ATOM 0 HG12 VAL A 47 -13.823 18.182 4.470 1.00 73.42 H new ATOM 0 HG13 VAL A 47 -15.157 17.788 5.579 1.00 73.42 H new ATOM 0 HG21 VAL A 47 -13.521 18.216 8.161 1.00 73.32 H new ATOM 0 HG22 VAL A 47 -14.581 16.813 7.891 1.00 73.32 H new ATOM 0 HG23 VAL A 47 -12.868 16.567 8.304 1.00 73.32 H new ATOM 610 N LYS A 48 -14.983 14.482 6.823 1.00 22.12 N ATOM 611 CA LYS A 48 -16.315 13.926 7.028 1.00 12.43 C ATOM 612 C LYS A 48 -17.024 14.625 8.184 1.00 0.21 C ATOM 613 O LYS A 48 -18.168 15.061 8.053 1.00 74.34 O ATOM 614 CB LYS A 48 -16.227 12.424 7.304 1.00 22.31 C ATOM 615 CG LYS A 48 -17.365 11.625 6.693 1.00 41.14 C ATOM 616 CD LYS A 48 -17.035 10.143 6.628 1.00 4.31 C ATOM 617 CE LYS A 48 -18.048 9.312 7.400 1.00 2.33 C ATOM 618 NZ LYS A 48 -17.886 7.855 7.137 1.00 1.55 N ATOM 0 H LYS A 48 -14.299 14.206 7.527 1.00 22.12 H new ATOM 0 HA LYS A 48 -16.893 14.088 6.118 1.00 12.43 H new ATOM 0 HB2 LYS A 48 -15.281 12.047 6.916 1.00 22.31 H new ATOM 0 HB3 LYS A 48 -16.218 12.261 8.382 1.00 22.31 H new ATOM 0 HG2 LYS A 48 -18.271 11.771 7.282 1.00 41.14 H new ATOM 0 HG3 LYS A 48 -17.574 11.996 5.690 1.00 41.14 H new ATOM 0 HD2 LYS A 48 -17.015 9.819 5.587 1.00 4.31 H new ATOM 0 HD3 LYS A 48 -16.038 9.973 7.034 1.00 4.31 H new ATOM 0 HE2 LYS A 48 -17.936 9.503 8.467 1.00 2.33 H new ATOM 0 HE3 LYS A 48 -19.056 9.621 7.125 1.00 2.33 H new ATOM 0 HZ1 LYS A 48 -18.595 7.323 7.681 1.00 1.55 H new ATOM 0 HZ2 LYS A 48 -18.018 7.669 6.122 1.00 1.55 H new ATOM 0 HZ3 LYS A 48 -16.932 7.554 7.423 1.00 1.55 H new ATOM 632 N THR A 49 -16.336 14.731 9.317 1.00 35.22 N ATOM 633 CA THR A 49 -16.900 15.377 10.496 1.00 41.03 C ATOM 634 C THR A 49 -15.807 15.770 11.483 1.00 42.34 C ATOM 635 O THR A 49 -15.219 14.915 12.145 1.00 65.12 O ATOM 636 CB THR A 49 -17.914 14.461 11.208 1.00 45.52 C ATOM 637 OG1 THR A 49 -19.022 14.192 10.343 1.00 73.13 O ATOM 638 CG2 THR A 49 -18.412 15.103 12.494 1.00 24.11 C ATOM 0 H THR A 49 -15.387 14.378 9.443 1.00 35.22 H new ATOM 0 HA THR A 49 -17.413 16.274 10.150 1.00 41.03 H new ATOM 0 HB THR A 49 -17.413 13.526 11.458 1.00 45.52 H new ATOM 0 HG1 THR A 49 -18.989 14.796 9.572 1.00 73.13 H new ATOM 0 HG21 THR A 49 -19.127 14.438 12.979 1.00 24.11 H new ATOM 0 HG22 THR A 49 -17.569 15.280 13.162 1.00 24.11 H new ATOM 0 HG23 THR A 49 -18.897 16.051 12.263 1.00 24.11 H new ATOM 646 N ILE A 50 -15.540 17.069 11.577 1.00 72.45 N ATOM 647 CA ILE A 50 -14.518 17.574 12.485 1.00 54.43 C ATOM 648 C ILE A 50 -15.134 18.042 13.799 1.00 10.20 C ATOM 649 O ILE A 50 -16.263 18.530 13.829 1.00 71.10 O ATOM 650 CB ILE A 50 -13.733 18.740 11.855 1.00 23.23 C ATOM 651 CG1 ILE A 50 -12.541 19.116 12.738 1.00 63.41 C ATOM 652 CG2 ILE A 50 -14.643 19.941 11.646 1.00 32.41 C ATOM 653 CD1 ILE A 50 -11.597 20.104 12.090 1.00 42.22 C ATOM 0 H ILE A 50 -16.017 17.790 11.036 1.00 72.45 H new ATOM 0 HA ILE A 50 -13.833 16.749 12.681 1.00 54.43 H new ATOM 0 HB ILE A 50 -13.356 18.421 10.883 1.00 23.23 H new ATOM 0 HG12 ILE A 50 -12.910 19.538 13.673 1.00 63.41 H new ATOM 0 HG13 ILE A 50 -11.989 18.212 12.993 1.00 63.41 H new ATOM 0 HG21 ILE A 50 -14.073 20.756 11.200 1.00 32.41 H new ATOM 0 HG22 ILE A 50 -15.462 19.666 10.982 1.00 32.41 H new ATOM 0 HG23 ILE A 50 -15.047 20.263 12.606 1.00 32.41 H new ATOM 0 HD11 ILE A 50 -10.776 20.325 12.773 1.00 42.22 H new ATOM 0 HD12 ILE A 50 -11.199 19.677 11.170 1.00 42.22 H new ATOM 0 HD13 ILE A 50 -12.135 21.024 11.860 1.00 42.22 H new ATOM 665 N GLY A 51 -14.382 17.892 14.885 1.00 32.44 N ATOM 666 CA GLY A 51 -14.870 18.305 16.188 1.00 2.02 C ATOM 667 C GLY A 51 -14.252 19.609 16.652 1.00 44.25 C ATOM 668 O GLY A 51 -13.537 20.267 15.896 1.00 21.01 O ATOM 0 H GLY A 51 -13.444 17.492 14.886 1.00 32.44 H new ATOM 0 HA2 GLY A 51 -15.954 18.414 16.149 1.00 2.02 H new ATOM 0 HA3 GLY A 51 -14.654 17.524 16.918 1.00 2.02 H new ATOM 672 N GLU A 52 -14.529 19.984 17.896 1.00 4.44 N ATOM 673 CA GLU A 52 -13.996 21.220 18.457 1.00 2.45 C ATOM 674 C GLU A 52 -14.464 21.411 19.897 1.00 35.32 C ATOM 675 O GLU A 52 -15.103 22.410 20.226 1.00 10.53 O ATOM 676 CB GLU A 52 -14.424 22.419 17.608 1.00 70.54 C ATOM 677 CG GLU A 52 -15.903 22.419 17.258 1.00 43.22 C ATOM 678 CD GLU A 52 -16.373 23.754 16.714 1.00 1.41 C ATOM 679 OE1 GLU A 52 -16.430 24.727 17.495 1.00 33.22 O ATOM 680 OE2 GLU A 52 -16.683 23.826 15.506 1.00 12.34 O ATOM 0 H GLU A 52 -15.119 19.450 18.535 1.00 4.44 H new ATOM 0 HA GLU A 52 -12.908 21.150 18.452 1.00 2.45 H new ATOM 0 HB2 GLU A 52 -14.186 23.337 18.145 1.00 70.54 H new ATOM 0 HB3 GLU A 52 -13.841 22.428 16.687 1.00 70.54 H new ATOM 0 HG2 GLU A 52 -16.098 21.641 16.520 1.00 43.22 H new ATOM 0 HG3 GLU A 52 -16.483 22.168 18.146 1.00 43.22 H new ATOM 687 N ARG A 53 -14.143 20.444 20.751 1.00 61.14 N ATOM 688 CA ARG A 53 -14.532 20.503 22.154 1.00 10.44 C ATOM 689 C ARG A 53 -16.042 20.672 22.293 1.00 12.13 C ATOM 690 O ARG A 53 -16.521 21.699 22.772 1.00 1.22 O ATOM 691 CB ARG A 53 -13.813 21.656 22.857 1.00 45.43 C ATOM 692 CG ARG A 53 -12.299 21.517 22.862 1.00 70.30 C ATOM 693 CD ARG A 53 -11.782 21.105 24.232 1.00 54.03 C ATOM 694 NE ARG A 53 -12.474 19.926 24.746 1.00 61.12 N ATOM 695 CZ ARG A 53 -12.453 19.560 26.023 1.00 54.33 C ATOM 696 NH1 ARG A 53 -11.780 20.279 26.911 1.00 72.24 N ATOM 697 NH2 ARG A 53 -13.108 18.474 26.414 1.00 43.23 N ATOM 0 H ARG A 53 -13.614 19.610 20.495 1.00 61.14 H new ATOM 0 HA ARG A 53 -14.244 19.563 22.624 1.00 10.44 H new ATOM 0 HB2 ARG A 53 -14.082 22.593 22.368 1.00 45.43 H new ATOM 0 HB3 ARG A 53 -14.167 21.720 23.886 1.00 45.43 H new ATOM 0 HG2 ARG A 53 -11.998 20.777 22.121 1.00 70.30 H new ATOM 0 HG3 ARG A 53 -11.845 22.464 22.570 1.00 70.30 H new ATOM 0 HD2 ARG A 53 -10.713 20.900 24.169 1.00 54.03 H new ATOM 0 HD3 ARG A 53 -11.907 21.932 24.931 1.00 54.03 H new ATOM 0 HE ARG A 53 -13.002 19.352 24.089 1.00 61.12 H new ATOM 0 HH11 ARG A 53 -11.277 21.115 26.614 1.00 72.24 H new ATOM 0 HH12 ARG A 53 -11.765 19.996 27.891 1.00 72.24 H new ATOM 0 HH21 ARG A 53 -13.628 17.920 25.734 1.00 43.23 H new ATOM 0 HH22 ARG A 53 -13.091 18.194 27.395 1.00 43.23 H new ATOM 711 N GLY A 54 -16.788 19.656 21.870 1.00 63.30 N ATOM 712 CA GLY A 54 -18.235 19.712 21.955 1.00 33.40 C ATOM 713 C GLY A 54 -18.903 18.548 21.250 1.00 21.51 C ATOM 714 O GLY A 54 -20.002 18.136 21.621 1.00 24.13 O ATOM 0 H GLY A 54 -16.415 18.795 21.470 1.00 63.30 H new ATOM 0 HA2 GLY A 54 -18.534 19.718 23.003 1.00 33.40 H new ATOM 0 HA3 GLY A 54 -18.586 20.647 21.518 1.00 33.40 H new ATOM 718 N ALA A 55 -18.239 18.017 20.229 1.00 64.52 N ATOM 719 CA ALA A 55 -18.774 16.893 19.470 1.00 33.14 C ATOM 720 C ALA A 55 -19.206 15.761 20.397 1.00 45.01 C ATOM 721 O ALA A 55 -18.375 15.130 21.049 1.00 11.35 O ATOM 722 CB ALA A 55 -17.744 16.394 18.468 1.00 33.20 C ATOM 0 H ALA A 55 -17.329 18.347 19.908 1.00 64.52 H new ATOM 0 HA ALA A 55 -19.654 17.239 18.927 1.00 33.14 H new ATOM 0 HB1 ALA A 55 -18.157 15.555 17.909 1.00 33.20 H new ATOM 0 HB2 ALA A 55 -17.488 17.198 17.779 1.00 33.20 H new ATOM 0 HB3 ALA A 55 -16.848 16.071 18.998 1.00 33.20 H new ATOM 728 N ASN A 56 -20.510 15.510 20.450 1.00 64.15 N ATOM 729 CA ASN A 56 -21.051 14.454 21.298 1.00 40.23 C ATOM 730 C ASN A 56 -20.708 13.077 20.738 1.00 54.03 C ATOM 731 O ASN A 56 -20.271 12.951 19.594 1.00 43.42 O ATOM 732 CB ASN A 56 -22.568 14.602 21.426 1.00 55.04 C ATOM 733 CG ASN A 56 -22.989 15.072 22.805 1.00 75.42 C ATOM 734 OD1 ASN A 56 -23.688 16.075 22.944 1.00 12.54 O ATOM 735 ND2 ASN A 56 -22.564 14.345 23.832 1.00 15.31 N ATOM 0 H ASN A 56 -21.211 16.023 19.916 1.00 64.15 H new ATOM 0 HA ASN A 56 -20.599 14.547 22.285 1.00 40.23 H new ATOM 0 HB2 ASN A 56 -22.925 15.311 20.679 1.00 55.04 H new ATOM 0 HB3 ASN A 56 -23.043 13.645 21.211 1.00 55.04 H new ATOM 0 HD21 ASN A 56 -22.816 14.611 24.784 1.00 15.31 H new ATOM 0 HD22 ASN A 56 -21.986 13.521 23.669 1.00 15.31 H new ATOM 742 N PHE A 57 -20.911 12.046 21.552 1.00 51.35 N ATOM 743 CA PHE A 57 -20.624 10.678 21.138 1.00 25.31 C ATOM 744 C PHE A 57 -21.619 10.208 20.081 1.00 43.41 C ATOM 745 O PHE A 57 -21.278 9.421 19.198 1.00 22.12 O ATOM 746 CB PHE A 57 -20.664 9.739 22.345 1.00 30.44 C ATOM 747 CG PHE A 57 -19.326 9.545 22.999 1.00 21.05 C ATOM 748 CD1 PHE A 57 -18.760 10.555 23.761 1.00 63.31 C ATOM 749 CD2 PHE A 57 -18.634 8.353 22.853 1.00 15.24 C ATOM 750 CE1 PHE A 57 -17.528 10.379 24.363 1.00 11.31 C ATOM 751 CE2 PHE A 57 -17.403 8.172 23.454 1.00 64.13 C ATOM 752 CZ PHE A 57 -16.849 9.186 24.210 1.00 13.14 C ATOM 0 H PHE A 57 -21.273 12.132 22.502 1.00 51.35 H new ATOM 0 HA PHE A 57 -19.624 10.659 20.704 1.00 25.31 H new ATOM 0 HB2 PHE A 57 -21.365 10.135 23.080 1.00 30.44 H new ATOM 0 HB3 PHE A 57 -21.048 8.769 22.028 1.00 30.44 H new ATOM 0 HD1 PHE A 57 -19.287 11.489 23.886 1.00 63.31 H new ATOM 0 HD2 PHE A 57 -19.062 7.556 22.263 1.00 15.24 H new ATOM 0 HE1 PHE A 57 -17.097 11.174 24.953 1.00 11.31 H new ATOM 0 HE2 PHE A 57 -16.874 7.238 23.333 1.00 64.13 H new ATOM 0 HZ PHE A 57 -15.887 9.047 24.681 1.00 13.14 H new ATOM 762 N ASP A 58 -22.850 10.697 20.178 1.00 50.41 N ATOM 763 CA ASP A 58 -23.896 10.329 19.230 1.00 3.44 C ATOM 764 C ASP A 58 -23.526 10.767 17.816 1.00 34.15 C ATOM 765 O ASP A 58 -23.640 9.992 16.868 1.00 71.53 O ATOM 766 CB ASP A 58 -25.229 10.957 19.640 1.00 2.31 C ATOM 767 CG ASP A 58 -25.963 10.132 20.679 1.00 63.14 C ATOM 768 OD1 ASP A 58 -25.376 9.868 21.749 1.00 52.21 O ATOM 769 OD2 ASP A 58 -27.123 9.749 20.421 1.00 72.23 O ATOM 0 H ASP A 58 -23.149 11.349 20.903 1.00 50.41 H new ATOM 0 HA ASP A 58 -23.997 9.244 19.240 1.00 3.44 H new ATOM 0 HB2 ASP A 58 -25.050 11.957 20.035 1.00 2.31 H new ATOM 0 HB3 ASP A 58 -25.860 11.071 18.759 1.00 2.31 H new ATOM 774 N GLN A 59 -23.085 12.014 17.685 1.00 72.35 N ATOM 775 CA GLN A 59 -22.701 12.554 16.386 1.00 52.21 C ATOM 776 C GLN A 59 -21.414 11.906 15.885 1.00 15.34 C ATOM 777 O GLN A 59 -21.210 11.758 14.680 1.00 30.45 O ATOM 778 CB GLN A 59 -22.522 14.071 16.474 1.00 63.20 C ATOM 779 CG GLN A 59 -21.434 14.499 17.446 1.00 52.32 C ATOM 780 CD GLN A 59 -21.118 15.979 17.352 1.00 24.11 C ATOM 781 OE1 GLN A 59 -20.194 16.384 16.646 1.00 40.32 O ATOM 782 NE2 GLN A 59 -21.884 16.795 18.066 1.00 54.03 N ATOM 0 H GLN A 59 -22.985 12.668 18.461 1.00 72.35 H new ATOM 0 HA GLN A 59 -23.498 12.329 15.677 1.00 52.21 H new ATOM 0 HB2 GLN A 59 -22.286 14.459 15.483 1.00 63.20 H new ATOM 0 HB3 GLN A 59 -23.467 14.523 16.776 1.00 63.20 H new ATOM 0 HG2 GLN A 59 -21.747 14.262 18.463 1.00 52.32 H new ATOM 0 HG3 GLN A 59 -20.529 13.925 17.249 1.00 52.32 H new ATOM 0 HE21 GLN A 59 -22.639 16.416 18.637 1.00 54.03 H new ATOM 0 HE22 GLN A 59 -21.718 17.801 18.043 1.00 54.03 H new ATOM 791 N PHE A 60 -20.549 11.523 16.818 1.00 34.44 N ATOM 792 CA PHE A 60 -19.281 10.892 16.472 1.00 72.51 C ATOM 793 C PHE A 60 -19.511 9.534 15.815 1.00 71.32 C ATOM 794 O PHE A 60 -18.977 9.254 14.741 1.00 32.30 O ATOM 795 CB PHE A 60 -18.412 10.726 17.720 1.00 42.10 C ATOM 796 CG PHE A 60 -17.248 9.797 17.521 1.00 13.32 C ATOM 797 CD1 PHE A 60 -16.479 9.866 16.371 1.00 23.31 C ATOM 798 CD2 PHE A 60 -16.924 8.855 18.484 1.00 14.34 C ATOM 799 CE1 PHE A 60 -15.407 9.013 16.185 1.00 31.32 C ATOM 800 CE2 PHE A 60 -15.854 8.000 18.304 1.00 2.13 C ATOM 801 CZ PHE A 60 -15.095 8.078 17.153 1.00 70.12 C ATOM 0 H PHE A 60 -20.703 11.639 17.820 1.00 34.44 H new ATOM 0 HA PHE A 60 -18.765 11.538 15.761 1.00 72.51 H new ATOM 0 HB2 PHE A 60 -18.038 11.703 18.025 1.00 42.10 H new ATOM 0 HB3 PHE A 60 -19.030 10.352 18.536 1.00 42.10 H new ATOM 0 HD1 PHE A 60 -16.720 10.595 15.611 1.00 23.31 H new ATOM 0 HD2 PHE A 60 -17.515 8.788 19.386 1.00 14.34 H new ATOM 0 HE1 PHE A 60 -14.814 9.077 15.284 1.00 31.32 H new ATOM 0 HE2 PHE A 60 -15.611 7.271 19.063 1.00 2.13 H new ATOM 0 HZ PHE A 60 -14.259 7.409 17.010 1.00 70.12 H new ATOM 811 N ILE A 61 -20.308 8.695 16.468 1.00 72.35 N ATOM 812 CA ILE A 61 -20.609 7.367 15.947 1.00 32.21 C ATOM 813 C ILE A 61 -21.490 7.450 14.705 1.00 62.21 C ATOM 814 O ILE A 61 -21.338 6.663 13.771 1.00 23.02 O ATOM 815 CB ILE A 61 -21.312 6.494 17.004 1.00 53.24 C ATOM 816 CG1 ILE A 61 -21.568 5.091 16.450 1.00 42.03 C ATOM 817 CG2 ILE A 61 -22.617 7.142 17.442 1.00 11.04 C ATOM 818 CD1 ILE A 61 -20.822 4.004 17.191 1.00 62.31 C ATOM 0 H ILE A 61 -20.757 8.911 17.358 1.00 72.35 H new ATOM 0 HA ILE A 61 -19.656 6.908 15.683 1.00 32.21 H new ATOM 0 HB ILE A 61 -20.661 6.408 17.874 1.00 53.24 H new ATOM 0 HG12 ILE A 61 -22.637 4.881 16.493 1.00 42.03 H new ATOM 0 HG13 ILE A 61 -21.281 5.066 15.399 1.00 42.03 H new ATOM 0 HG21 ILE A 61 -23.102 6.514 18.189 1.00 11.04 H new ATOM 0 HG22 ILE A 61 -22.410 8.122 17.871 1.00 11.04 H new ATOM 0 HG23 ILE A 61 -23.275 7.255 16.580 1.00 11.04 H new ATOM 0 HD11 ILE A 61 -21.051 3.036 16.744 1.00 62.31 H new ATOM 0 HD12 ILE A 61 -19.750 4.189 17.126 1.00 62.31 H new ATOM 0 HD13 ILE A 61 -21.127 4.002 18.237 1.00 62.31 H new ATOM 830 N GLU A 62 -22.409 8.410 14.701 1.00 35.31 N ATOM 831 CA GLU A 62 -23.314 8.596 13.572 1.00 23.24 C ATOM 832 C GLU A 62 -22.542 8.990 12.316 1.00 20.51 C ATOM 833 O GLU A 62 -22.849 8.530 11.217 1.00 62.52 O ATOM 834 CB GLU A 62 -24.359 9.665 13.898 1.00 4.13 C ATOM 835 CG GLU A 62 -25.292 9.977 12.740 1.00 2.05 C ATOM 836 CD GLU A 62 -25.016 11.332 12.118 1.00 60.24 C ATOM 837 OE1 GLU A 62 -24.840 12.309 12.875 1.00 65.21 O ATOM 838 OE2 GLU A 62 -24.976 11.414 10.872 1.00 14.30 O ATOM 0 H GLU A 62 -22.547 9.071 15.466 1.00 35.31 H new ATOM 0 HA GLU A 62 -23.820 7.649 13.385 1.00 23.24 H new ATOM 0 HB2 GLU A 62 -24.951 9.334 14.751 1.00 4.13 H new ATOM 0 HB3 GLU A 62 -23.849 10.580 14.199 1.00 4.13 H new ATOM 0 HG2 GLU A 62 -25.191 9.204 11.978 1.00 2.05 H new ATOM 0 HG3 GLU A 62 -26.324 9.946 13.091 1.00 2.05 H new ATOM 845 N ALA A 63 -21.539 9.844 12.489 1.00 52.55 N ATOM 846 CA ALA A 63 -20.722 10.299 11.370 1.00 14.42 C ATOM 847 C ALA A 63 -19.785 9.196 10.890 1.00 12.34 C ATOM 848 O ALA A 63 -19.753 8.869 9.704 1.00 73.22 O ATOM 849 CB ALA A 63 -19.928 11.535 11.766 1.00 45.05 C ATOM 0 H ALA A 63 -21.272 10.235 13.393 1.00 52.55 H new ATOM 0 HA ALA A 63 -21.388 10.557 10.546 1.00 14.42 H new ATOM 0 HB1 ALA A 63 -19.322 11.864 10.922 1.00 45.05 H new ATOM 0 HB2 ALA A 63 -20.614 12.332 12.053 1.00 45.05 H new ATOM 0 HB3 ALA A 63 -19.278 11.296 12.607 1.00 45.05 H new ATOM 855 N ILE A 64 -19.024 8.628 11.819 1.00 22.21 N ATOM 856 CA ILE A 64 -18.086 7.561 11.490 1.00 53.31 C ATOM 857 C ILE A 64 -18.821 6.266 11.162 1.00 63.23 C ATOM 858 O ILE A 64 -19.758 5.877 11.859 1.00 4.45 O ATOM 859 CB ILE A 64 -17.101 7.301 12.645 1.00 52.31 C ATOM 860 CG1 ILE A 64 -17.842 6.734 13.858 1.00 65.54 C ATOM 861 CG2 ILE A 64 -16.370 8.583 13.016 1.00 31.20 C ATOM 862 CD1 ILE A 64 -17.777 5.225 13.953 1.00 11.31 C ATOM 0 H ILE A 64 -19.038 8.888 12.805 1.00 22.21 H new ATOM 0 HA ILE A 64 -17.527 7.891 10.614 1.00 53.31 H new ATOM 0 HB ILE A 64 -16.364 6.567 12.317 1.00 52.31 H new ATOM 0 HG12 ILE A 64 -17.421 7.166 14.766 1.00 65.54 H new ATOM 0 HG13 ILE A 64 -18.886 7.043 13.813 1.00 65.54 H new ATOM 0 HG21 ILE A 64 -15.677 8.383 13.834 1.00 31.20 H new ATOM 0 HG22 ILE A 64 -15.815 8.949 12.152 1.00 31.20 H new ATOM 0 HG23 ILE A 64 -17.093 9.337 13.329 1.00 31.20 H new ATOM 0 HD11 ILE A 64 -18.323 4.892 14.836 1.00 11.31 H new ATOM 0 HD12 ILE A 64 -18.225 4.785 13.062 1.00 11.31 H new ATOM 0 HD13 ILE A 64 -16.736 4.910 14.030 1.00 11.31 H new ATOM 874 N ASP A 65 -18.388 5.601 10.096 1.00 22.34 N ATOM 875 CA ASP A 65 -19.002 4.346 9.677 1.00 50.44 C ATOM 876 C ASP A 65 -17.975 3.219 9.655 1.00 63.14 C ATOM 877 O ASP A 65 -16.996 3.270 8.909 1.00 1.44 O ATOM 878 CB ASP A 65 -19.636 4.502 8.294 1.00 53.24 C ATOM 879 CG ASP A 65 -20.867 3.634 8.120 1.00 61.11 C ATOM 880 OD1 ASP A 65 -21.971 4.091 8.483 1.00 23.52 O ATOM 881 OD2 ASP A 65 -20.726 2.497 7.621 1.00 10.43 O ATOM 0 H ASP A 65 -17.615 5.910 9.507 1.00 22.34 H new ATOM 0 HA ASP A 65 -19.778 4.091 10.398 1.00 50.44 H new ATOM 0 HB2 ASP A 65 -19.906 5.546 8.137 1.00 53.24 H new ATOM 0 HB3 ASP A 65 -18.902 4.244 7.530 1.00 53.24 H new ATOM 886 N LYS A 66 -18.203 2.201 10.477 1.00 33.14 N ATOM 887 CA LYS A 66 -17.299 1.060 10.553 1.00 22.14 C ATOM 888 C LYS A 66 -17.320 0.261 9.254 1.00 43.41 C ATOM 889 O LYS A 66 -18.094 -0.683 9.107 1.00 14.13 O ATOM 890 CB LYS A 66 -17.683 0.155 11.726 1.00 13.34 C ATOM 891 CG LYS A 66 -16.593 -0.826 12.121 1.00 42.40 C ATOM 892 CD LYS A 66 -17.159 -2.209 12.393 1.00 11.04 C ATOM 893 CE LYS A 66 -16.457 -2.878 13.565 1.00 12.35 C ATOM 894 NZ LYS A 66 -17.383 -3.746 14.344 1.00 0.14 N ATOM 0 H LYS A 66 -19.008 2.143 11.101 1.00 33.14 H new ATOM 0 HA LYS A 66 -16.289 1.439 10.710 1.00 22.14 H new ATOM 0 HB2 LYS A 66 -17.930 0.776 12.587 1.00 13.34 H new ATOM 0 HB3 LYS A 66 -18.583 -0.401 11.465 1.00 13.34 H new ATOM 0 HG2 LYS A 66 -15.850 -0.886 11.325 1.00 42.40 H new ATOM 0 HG3 LYS A 66 -16.079 -0.461 13.010 1.00 42.40 H new ATOM 0 HD2 LYS A 66 -18.226 -2.132 12.602 1.00 11.04 H new ATOM 0 HD3 LYS A 66 -17.053 -2.828 11.502 1.00 11.04 H new ATOM 0 HE2 LYS A 66 -15.623 -3.475 13.196 1.00 12.35 H new ATOM 0 HE3 LYS A 66 -16.037 -2.115 14.220 1.00 12.35 H new ATOM 0 HZ1 LYS A 66 -16.832 -4.430 14.901 1.00 0.14 H new ATOM 0 HZ2 LYS A 66 -17.954 -3.158 14.984 1.00 0.14 H new ATOM 0 HZ3 LYS A 66 -18.011 -4.257 13.691 1.00 0.14 H new ATOM 908 N ASN A 67 -16.463 0.647 8.314 1.00 24.30 N ATOM 909 CA ASN A 67 -16.383 -0.034 7.027 1.00 64.41 C ATOM 910 C ASN A 67 -15.313 0.599 6.142 1.00 72.31 C ATOM 911 O ASN A 67 -14.232 0.039 5.959 1.00 0.12 O ATOM 912 CB ASN A 67 -17.738 0.009 6.318 1.00 20.24 C ATOM 913 CG ASN A 67 -18.468 -1.319 6.386 1.00 51.34 C ATOM 914 OD1 ASN A 67 -17.850 -2.383 6.343 1.00 50.44 O ATOM 915 ND2 ASN A 67 -19.791 -1.262 6.491 1.00 4.33 N ATOM 0 H ASN A 67 -15.815 1.427 8.419 1.00 24.30 H new ATOM 0 HA ASN A 67 -16.110 -1.073 7.211 1.00 64.41 H new ATOM 0 HB2 ASN A 67 -18.357 0.784 6.770 1.00 20.24 H new ATOM 0 HB3 ASN A 67 -17.590 0.286 5.274 1.00 20.24 H new ATOM 0 HD21 ASN A 67 -20.336 -2.123 6.539 1.00 4.33 H new ATOM 0 HD22 ASN A 67 -20.262 -0.358 6.523 1.00 4.33 H new ATOM 922 N VAL A 68 -15.623 1.770 5.595 1.00 62.01 N ATOM 923 CA VAL A 68 -14.688 2.481 4.730 1.00 34.24 C ATOM 924 C VAL A 68 -13.470 2.958 5.513 1.00 50.12 C ATOM 925 O VAL A 68 -13.523 3.168 6.725 1.00 62.21 O ATOM 926 CB VAL A 68 -15.358 3.693 4.056 1.00 75.52 C ATOM 927 CG1 VAL A 68 -16.353 3.234 3.000 1.00 21.22 C ATOM 928 CG2 VAL A 68 -16.039 4.571 5.095 1.00 44.43 C ATOM 0 H VAL A 68 -16.514 2.247 5.735 1.00 62.01 H new ATOM 0 HA VAL A 68 -14.370 1.777 3.961 1.00 34.24 H new ATOM 0 HB VAL A 68 -14.587 4.285 3.562 1.00 75.52 H new ATOM 0 HG11 VAL A 68 -16.817 4.104 2.534 1.00 21.22 H new ATOM 0 HG12 VAL A 68 -15.834 2.649 2.241 1.00 21.22 H new ATOM 0 HG13 VAL A 68 -17.122 2.620 3.468 1.00 21.22 H new ATOM 0 HG21 VAL A 68 -16.507 5.423 4.601 1.00 44.43 H new ATOM 0 HG22 VAL A 68 -16.800 3.992 5.619 1.00 44.43 H new ATOM 0 HG23 VAL A 68 -15.299 4.929 5.811 1.00 44.43 H new ATOM 938 N PRO A 69 -12.344 3.135 4.805 1.00 35.11 N ATOM 939 CA PRO A 69 -11.091 3.591 5.413 1.00 63.32 C ATOM 940 C PRO A 69 -11.158 5.048 5.856 1.00 45.33 C ATOM 941 O PRO A 69 -11.317 5.950 5.033 1.00 55.35 O ATOM 942 CB PRO A 69 -10.068 3.420 4.286 1.00 12.45 C ATOM 943 CG PRO A 69 -10.869 3.503 3.033 1.00 65.34 C ATOM 944 CD PRO A 69 -12.209 2.904 3.357 1.00 12.01 C ATOM 0 HA PRO A 69 -10.848 3.031 6.316 1.00 63.32 H new ATOM 0 HB2 PRO A 69 -9.306 4.199 4.321 1.00 12.45 H new ATOM 0 HB3 PRO A 69 -9.550 2.464 4.363 1.00 12.45 H new ATOM 0 HG2 PRO A 69 -10.973 4.537 2.704 1.00 65.34 H new ATOM 0 HG3 PRO A 69 -10.384 2.958 2.223 1.00 65.34 H new ATOM 0 HD2 PRO A 69 -13.011 3.385 2.797 1.00 12.01 H new ATOM 0 HD3 PRO A 69 -12.244 1.842 3.114 1.00 12.01 H new ATOM 952 N CYS A 70 -11.034 5.272 7.159 1.00 23.22 N ATOM 953 CA CYS A 70 -11.080 6.621 7.712 1.00 55.05 C ATOM 954 C CYS A 70 -10.043 6.792 8.817 1.00 55.32 C ATOM 955 O CYS A 70 -9.646 5.824 9.465 1.00 73.31 O ATOM 956 CB CYS A 70 -12.478 6.924 8.255 1.00 64.01 C ATOM 957 SG CYS A 70 -13.816 6.558 7.095 1.00 1.14 S ATOM 0 H CYS A 70 -10.901 4.536 7.853 1.00 23.22 H new ATOM 0 HA CYS A 70 -10.849 7.324 6.911 1.00 55.05 H new ATOM 0 HB2 CYS A 70 -12.635 6.348 9.167 1.00 64.01 H new ATOM 0 HB3 CYS A 70 -12.529 7.977 8.531 1.00 64.01 H new ATOM 0 HG CYS A 70 -14.958 6.845 7.645 1.00 1.14 H new ATOM 963 N TYR A 71 -9.608 8.030 9.025 1.00 21.33 N ATOM 964 CA TYR A 71 -8.614 8.328 10.049 1.00 24.53 C ATOM 965 C TYR A 71 -9.081 9.470 10.946 1.00 22.23 C ATOM 966 O TYR A 71 -9.499 10.522 10.464 1.00 61.33 O ATOM 967 CB TYR A 71 -7.276 8.688 9.401 1.00 24.44 C ATOM 968 CG TYR A 71 -6.791 7.662 8.402 1.00 31.41 C ATOM 969 CD1 TYR A 71 -7.277 7.648 7.100 1.00 4.12 C ATOM 970 CD2 TYR A 71 -5.849 6.705 8.760 1.00 40.23 C ATOM 971 CE1 TYR A 71 -6.838 6.712 6.184 1.00 45.12 C ATOM 972 CE2 TYR A 71 -5.403 5.766 7.850 1.00 51.54 C ATOM 973 CZ TYR A 71 -5.900 5.774 6.563 1.00 34.21 C ATOM 974 OH TYR A 71 -5.460 4.840 5.654 1.00 22.50 O ATOM 0 H TYR A 71 -9.928 8.843 8.498 1.00 21.33 H new ATOM 0 HA TYR A 71 -8.485 7.437 10.664 1.00 24.53 H new ATOM 0 HB2 TYR A 71 -7.372 9.652 8.901 1.00 24.44 H new ATOM 0 HB3 TYR A 71 -6.524 8.806 10.181 1.00 24.44 H new ATOM 0 HD1 TYR A 71 -8.010 8.382 6.799 1.00 4.12 H new ATOM 0 HD2 TYR A 71 -5.459 6.695 9.767 1.00 40.23 H new ATOM 0 HE1 TYR A 71 -7.227 6.714 5.176 1.00 45.12 H new ATOM 0 HE2 TYR A 71 -4.670 5.030 8.144 1.00 51.54 H new ATOM 0 HH TYR A 71 -5.260 4.000 6.118 1.00 22.50 H new ATOM 984 N ALA A 72 -9.006 9.254 12.256 1.00 64.15 N ATOM 985 CA ALA A 72 -9.418 10.265 13.221 1.00 24.14 C ATOM 986 C ALA A 72 -8.275 10.619 14.167 1.00 43.03 C ATOM 987 O ALA A 72 -7.660 9.740 14.769 1.00 63.40 O ATOM 988 CB ALA A 72 -10.626 9.781 14.009 1.00 20.31 C ATOM 0 H ALA A 72 -8.664 8.388 12.672 1.00 64.15 H new ATOM 0 HA ALA A 72 -9.693 11.165 12.672 1.00 24.14 H new ATOM 0 HB1 ALA A 72 -10.923 10.546 14.726 1.00 20.31 H new ATOM 0 HB2 ALA A 72 -11.452 9.585 13.325 1.00 20.31 H new ATOM 0 HB3 ALA A 72 -10.370 8.865 14.541 1.00 20.31 H new ATOM 994 N ALA A 73 -7.995 11.912 14.291 1.00 13.34 N ATOM 995 CA ALA A 73 -6.927 12.382 15.165 1.00 40.34 C ATOM 996 C ALA A 73 -7.492 13.037 16.420 1.00 14.14 C ATOM 997 O ALA A 73 -8.354 13.913 16.342 1.00 73.33 O ATOM 998 CB ALA A 73 -6.026 13.356 14.419 1.00 30.13 C ATOM 0 H ALA A 73 -8.493 12.653 13.797 1.00 13.34 H new ATOM 0 HA ALA A 73 -6.336 11.519 15.472 1.00 40.34 H new ATOM 0 HB1 ALA A 73 -5.233 13.699 15.083 1.00 30.13 H new ATOM 0 HB2 ALA A 73 -5.586 12.856 13.556 1.00 30.13 H new ATOM 0 HB3 ALA A 73 -6.613 14.211 14.083 1.00 30.13 H new ATOM 1004 N PHE A 74 -7.002 12.607 17.578 1.00 35.23 N ATOM 1005 CA PHE A 74 -7.461 13.150 18.852 1.00 45.45 C ATOM 1006 C PHE A 74 -6.287 13.682 19.669 1.00 13.15 C ATOM 1007 O PHE A 74 -5.293 12.985 19.874 1.00 12.45 O ATOM 1008 CB PHE A 74 -8.208 12.079 19.648 1.00 13.21 C ATOM 1009 CG PHE A 74 -9.663 11.973 19.291 1.00 15.53 C ATOM 1010 CD1 PHE A 74 -10.053 11.674 17.996 1.00 42.43 C ATOM 1011 CD2 PHE A 74 -10.642 12.174 20.252 1.00 71.34 C ATOM 1012 CE1 PHE A 74 -11.391 11.576 17.664 1.00 70.10 C ATOM 1013 CE2 PHE A 74 -11.982 12.076 19.926 1.00 43.11 C ATOM 1014 CZ PHE A 74 -12.357 11.778 18.630 1.00 3.14 C ATOM 0 H PHE A 74 -6.287 11.884 17.661 1.00 35.23 H new ATOM 0 HA PHE A 74 -8.141 13.976 18.644 1.00 45.45 H new ATOM 0 HB2 PHE A 74 -7.730 11.114 19.481 1.00 13.21 H new ATOM 0 HB3 PHE A 74 -8.118 12.299 20.712 1.00 13.21 H new ATOM 0 HD1 PHE A 74 -9.302 11.515 17.236 1.00 42.43 H new ATOM 0 HD2 PHE A 74 -10.355 12.410 21.266 1.00 71.34 H new ATOM 0 HE1 PHE A 74 -11.681 11.342 16.650 1.00 70.10 H new ATOM 0 HE2 PHE A 74 -12.735 12.232 20.684 1.00 43.11 H new ATOM 0 HZ PHE A 74 -13.403 11.703 18.373 1.00 3.14 H new ATOM 1024 N ASP A 75 -6.411 14.921 20.133 1.00 23.24 N ATOM 1025 CA ASP A 75 -5.362 15.547 20.930 1.00 44.15 C ATOM 1026 C ASP A 75 -5.567 15.268 22.415 1.00 10.11 C ATOM 1027 O ASP A 75 -6.675 15.401 22.935 1.00 10.41 O ATOM 1028 CB ASP A 75 -5.335 17.056 20.680 1.00 22.12 C ATOM 1029 CG ASP A 75 -6.308 17.807 21.568 1.00 62.22 C ATOM 1030 OD1 ASP A 75 -7.504 17.447 21.575 1.00 21.11 O ATOM 1031 OD2 ASP A 75 -5.873 18.754 22.256 1.00 72.32 O ATOM 0 H ASP A 75 -7.227 15.511 19.971 1.00 23.24 H new ATOM 0 HA ASP A 75 -4.406 15.119 20.628 1.00 44.15 H new ATOM 0 HB2 ASP A 75 -4.326 17.432 20.852 1.00 22.12 H new ATOM 0 HB3 ASP A 75 -5.575 17.253 19.635 1.00 22.12 H new ATOM 1036 N PHE A 76 -4.492 14.879 23.093 1.00 12.20 N ATOM 1037 CA PHE A 76 -4.555 14.579 24.519 1.00 42.03 C ATOM 1038 C PHE A 76 -3.327 15.124 25.244 1.00 74.35 C ATOM 1039 O PHE A 76 -2.309 15.424 24.621 1.00 14.11 O ATOM 1040 CB PHE A 76 -4.663 13.069 24.739 1.00 21.23 C ATOM 1041 CG PHE A 76 -5.597 12.691 25.853 1.00 0.12 C ATOM 1042 CD1 PHE A 76 -6.966 12.655 25.645 1.00 53.44 C ATOM 1043 CD2 PHE A 76 -5.106 12.371 27.109 1.00 42.14 C ATOM 1044 CE1 PHE A 76 -7.828 12.309 26.668 1.00 20.11 C ATOM 1045 CE2 PHE A 76 -5.963 12.023 28.136 1.00 44.41 C ATOM 1046 CZ PHE A 76 -7.326 11.991 27.915 1.00 45.31 C ATOM 0 H PHE A 76 -3.567 14.764 22.678 1.00 12.20 H new ATOM 0 HA PHE A 76 -5.441 15.063 24.929 1.00 42.03 H new ATOM 0 HB2 PHE A 76 -5.002 12.599 23.816 1.00 21.23 H new ATOM 0 HB3 PHE A 76 -3.672 12.670 24.955 1.00 21.23 H new ATOM 0 HD1 PHE A 76 -7.364 12.900 24.672 1.00 53.44 H new ATOM 0 HD2 PHE A 76 -4.041 12.394 27.287 1.00 42.14 H new ATOM 0 HE1 PHE A 76 -8.893 12.287 26.493 1.00 20.11 H new ATOM 0 HE2 PHE A 76 -5.567 11.776 29.110 1.00 44.41 H new ATOM 0 HZ PHE A 76 -7.998 11.718 28.715 1.00 45.31 H new ATOM 1056 N GLU A 77 -3.433 15.248 26.563 1.00 55.42 N ATOM 1057 CA GLU A 77 -2.333 15.758 27.372 1.00 1.21 C ATOM 1058 C GLU A 77 -1.757 14.660 28.261 1.00 30.23 C ATOM 1059 O GLU A 77 -2.478 13.769 28.711 1.00 22.23 O ATOM 1060 CB GLU A 77 -2.805 16.932 28.233 1.00 23.33 C ATOM 1061 CG GLU A 77 -4.157 16.702 28.886 1.00 13.14 C ATOM 1062 CD GLU A 77 -4.579 17.856 29.776 1.00 60.42 C ATOM 1063 OE1 GLU A 77 -3.801 18.824 29.901 1.00 52.55 O ATOM 1064 OE2 GLU A 77 -5.688 17.789 30.347 1.00 24.10 O ATOM 0 H GLU A 77 -4.269 15.002 27.094 1.00 55.42 H new ATOM 0 HA GLU A 77 -1.550 16.104 26.698 1.00 1.21 H new ATOM 0 HB2 GLU A 77 -2.064 17.124 29.009 1.00 23.33 H new ATOM 0 HB3 GLU A 77 -2.857 17.828 27.614 1.00 23.33 H new ATOM 0 HG2 GLU A 77 -4.909 16.551 28.112 1.00 13.14 H new ATOM 0 HG3 GLU A 77 -4.120 15.787 29.477 1.00 13.14 H new ATOM 1167 N ARG A 85 2.708 18.389 28.884 1.00 2.44 N ATOM 1168 CA ARG A 85 3.113 17.771 27.628 1.00 61.31 C ATOM 1169 C ARG A 85 1.908 17.545 26.720 1.00 72.12 C ATOM 1170 O ARG A 85 0.793 17.324 27.194 1.00 3.51 O ATOM 1171 CB ARG A 85 3.821 16.441 27.894 1.00 33.23 C ATOM 1172 CG ARG A 85 4.913 16.120 26.887 1.00 21.25 C ATOM 1173 CD ARG A 85 6.040 17.139 26.944 1.00 52.51 C ATOM 1174 NE ARG A 85 5.906 18.161 25.909 1.00 52.11 N ATOM 1175 CZ ARG A 85 6.601 19.293 25.899 1.00 21.11 C ATOM 1176 NH1 ARG A 85 7.475 19.546 26.863 1.00 11.44 N ATOM 1177 NH2 ARG A 85 6.423 20.174 24.923 1.00 62.23 N ATOM 0 HA ARG A 85 3.803 18.448 27.125 1.00 61.31 H new ATOM 0 HB2 ARG A 85 4.256 16.464 28.893 1.00 33.23 H new ATOM 0 HB3 ARG A 85 3.083 15.638 27.886 1.00 33.23 H new ATOM 0 HG2 ARG A 85 5.311 15.125 27.085 1.00 21.25 H new ATOM 0 HG3 ARG A 85 4.489 16.100 25.883 1.00 21.25 H new ATOM 0 HD2 ARG A 85 6.049 17.615 27.925 1.00 52.51 H new ATOM 0 HD3 ARG A 85 6.996 16.629 26.828 1.00 52.51 H new ATOM 0 HE ARG A 85 5.242 17.996 25.152 1.00 52.11 H new ATOM 0 HH11 ARG A 85 7.615 18.871 27.615 1.00 11.44 H new ATOM 0 HH12 ARG A 85 8.008 20.416 26.853 1.00 11.44 H new ATOM 0 HH21 ARG A 85 5.752 19.982 24.179 1.00 62.23 H new ATOM 0 HH22 ARG A 85 6.957 21.043 24.917 1.00 62.23 H new ATOM 1191 N ASP A 86 2.139 17.602 25.413 1.00 44.00 N ATOM 1192 CA ASP A 86 1.073 17.403 24.438 1.00 2.31 C ATOM 1193 C ASP A 86 1.371 16.204 23.543 1.00 4.25 C ATOM 1194 O ASP A 86 2.489 16.044 23.053 1.00 5.15 O ATOM 1195 CB ASP A 86 0.893 18.660 23.585 1.00 74.32 C ATOM 1196 CG ASP A 86 0.694 19.906 24.424 1.00 11.24 C ATOM 1197 OD1 ASP A 86 -0.240 19.921 25.254 1.00 62.31 O ATOM 1198 OD2 ASP A 86 1.473 20.867 24.253 1.00 73.02 O ATOM 0 H ASP A 86 3.055 17.784 25.004 1.00 44.00 H new ATOM 0 HA ASP A 86 0.149 17.206 24.982 1.00 2.31 H new ATOM 0 HB2 ASP A 86 1.767 18.791 22.947 1.00 74.32 H new ATOM 0 HB3 ASP A 86 0.035 18.528 22.926 1.00 74.32 H new ATOM 1203 N LYS A 87 0.364 15.363 23.335 1.00 23.02 N ATOM 1204 CA LYS A 87 0.517 14.178 22.500 1.00 70.24 C ATOM 1205 C LYS A 87 -0.761 13.897 21.715 1.00 45.11 C ATOM 1206 O LYS A 87 -1.851 13.837 22.285 1.00 62.31 O ATOM 1207 CB LYS A 87 0.876 12.965 23.360 1.00 24.44 C ATOM 1208 CG LYS A 87 2.345 12.583 23.290 1.00 31.23 C ATOM 1209 CD LYS A 87 2.672 11.862 21.993 1.00 4.42 C ATOM 1210 CE LYS A 87 3.523 12.727 21.075 1.00 22.32 C ATOM 1211 NZ LYS A 87 3.114 12.592 19.650 1.00 72.02 N ATOM 0 H LYS A 87 -0.568 15.480 23.734 1.00 23.02 H new ATOM 0 HA LYS A 87 1.324 14.365 21.792 1.00 70.24 H new ATOM 0 HB2 LYS A 87 0.613 13.174 24.397 1.00 24.44 H new ATOM 0 HB3 LYS A 87 0.272 12.114 23.043 1.00 24.44 H new ATOM 0 HG2 LYS A 87 2.959 13.479 23.374 1.00 31.23 H new ATOM 0 HG3 LYS A 87 2.596 11.944 24.136 1.00 31.23 H new ATOM 0 HD2 LYS A 87 3.200 10.935 22.214 1.00 4.42 H new ATOM 0 HD3 LYS A 87 1.748 11.589 21.484 1.00 4.42 H new ATOM 0 HE2 LYS A 87 3.440 13.770 21.379 1.00 22.32 H new ATOM 0 HE3 LYS A 87 4.571 12.447 21.180 1.00 22.32 H new ATOM 0 HZ1 LYS A 87 3.717 13.197 19.057 1.00 72.02 H new ATOM 0 HZ2 LYS A 87 3.217 11.601 19.352 1.00 72.02 H new ATOM 0 HZ3 LYS A 87 2.121 12.884 19.545 1.00 72.02 H new ATOM 1225 N LEU A 88 -0.619 13.725 20.405 1.00 31.34 N ATOM 1226 CA LEU A 88 -1.762 13.448 19.542 1.00 12.31 C ATOM 1227 C LEU A 88 -1.738 12.004 19.053 1.00 74.20 C ATOM 1228 O LEU A 88 -0.686 11.479 18.689 1.00 23.44 O ATOM 1229 CB LEU A 88 -1.767 14.403 18.347 1.00 4.42 C ATOM 1230 CG LEU A 88 -2.854 15.478 18.351 1.00 54.00 C ATOM 1231 CD1 LEU A 88 -2.460 16.634 19.257 1.00 64.10 C ATOM 1232 CD2 LEU A 88 -3.120 15.973 16.937 1.00 41.13 C ATOM 0 H LEU A 88 0.276 13.772 19.918 1.00 31.34 H new ATOM 0 HA LEU A 88 -2.671 13.600 20.125 1.00 12.31 H new ATOM 0 HB2 LEU A 88 -0.796 14.896 18.298 1.00 4.42 H new ATOM 0 HB3 LEU A 88 -1.871 13.813 17.436 1.00 4.42 H new ATOM 0 HG LEU A 88 -3.772 15.037 18.739 1.00 54.00 H new ATOM 0 HD11 LEU A 88 -3.246 17.389 19.246 1.00 64.10 H new ATOM 0 HD12 LEU A 88 -2.322 16.268 20.274 1.00 64.10 H new ATOM 0 HD13 LEU A 88 -1.529 17.075 18.900 1.00 64.10 H new ATOM 0 HD21 LEU A 88 -3.896 16.738 16.959 1.00 41.13 H new ATOM 0 HD22 LEU A 88 -2.205 16.396 16.522 1.00 41.13 H new ATOM 0 HD23 LEU A 88 -3.449 15.140 16.316 1.00 41.13 H new ATOM 1244 N ILE A 89 -2.905 11.368 19.045 1.00 52.11 N ATOM 1245 CA ILE A 89 -3.018 9.986 18.597 1.00 33.30 C ATOM 1246 C ILE A 89 -3.858 9.886 17.328 1.00 31.21 C ATOM 1247 O ILE A 89 -4.773 10.682 17.112 1.00 71.43 O ATOM 1248 CB ILE A 89 -3.643 9.091 19.684 1.00 24.01 C ATOM 1249 CG1 ILE A 89 -4.862 9.778 20.302 1.00 32.22 C ATOM 1250 CG2 ILE A 89 -2.613 8.762 20.755 1.00 14.52 C ATOM 1251 CD1 ILE A 89 -4.526 10.654 21.489 1.00 64.15 C ATOM 0 H ILE A 89 -3.785 11.788 19.344 1.00 52.11 H new ATOM 0 HA ILE A 89 -2.006 9.638 18.389 1.00 33.30 H new ATOM 0 HB ILE A 89 -3.970 8.159 19.223 1.00 24.01 H new ATOM 0 HG12 ILE A 89 -5.352 10.385 19.540 1.00 32.22 H new ATOM 0 HG13 ILE A 89 -5.578 9.018 20.613 1.00 32.22 H new ATOM 0 HG21 ILE A 89 -3.069 8.129 21.516 1.00 14.52 H new ATOM 0 HG22 ILE A 89 -1.772 8.236 20.302 1.00 14.52 H new ATOM 0 HG23 ILE A 89 -2.259 9.685 21.215 1.00 14.52 H new ATOM 0 HD11 ILE A 89 -5.438 11.109 21.876 1.00 64.15 H new ATOM 0 HD12 ILE A 89 -4.064 10.049 22.269 1.00 64.15 H new ATOM 0 HD13 ILE A 89 -3.834 11.437 21.179 1.00 64.15 H new ATOM 1263 N LEU A 90 -3.543 8.903 16.492 1.00 24.45 N ATOM 1264 CA LEU A 90 -4.269 8.696 15.245 1.00 54.35 C ATOM 1265 C LEU A 90 -4.850 7.287 15.179 1.00 12.41 C ATOM 1266 O LEU A 90 -4.114 6.300 15.207 1.00 14.45 O ATOM 1267 CB LEU A 90 -3.347 8.936 14.048 1.00 25.13 C ATOM 1268 CG LEU A 90 -3.917 8.572 12.677 1.00 11.50 C ATOM 1269 CD1 LEU A 90 -4.944 9.604 12.236 1.00 61.13 C ATOM 1270 CD2 LEU A 90 -2.801 8.455 11.649 1.00 31.43 C ATOM 0 H LEU A 90 -2.789 8.236 16.656 1.00 24.45 H new ATOM 0 HA LEU A 90 -5.092 9.410 15.211 1.00 54.35 H new ATOM 0 HB2 LEU A 90 -3.069 9.990 14.035 1.00 25.13 H new ATOM 0 HB3 LEU A 90 -2.431 8.366 14.201 1.00 25.13 H new ATOM 0 HG LEU A 90 -4.414 7.605 12.756 1.00 11.50 H new ATOM 0 HD11 LEU A 90 -5.339 9.329 11.258 1.00 61.13 H new ATOM 0 HD12 LEU A 90 -5.758 9.639 12.960 1.00 61.13 H new ATOM 0 HD13 LEU A 90 -4.471 10.584 12.174 1.00 61.13 H new ATOM 0 HD21 LEU A 90 -3.225 8.195 10.679 1.00 31.43 H new ATOM 0 HD22 LEU A 90 -2.276 9.407 11.572 1.00 31.43 H new ATOM 0 HD23 LEU A 90 -2.101 7.679 11.958 1.00 31.43 H new ATOM 1282 N ILE A 91 -6.173 7.202 15.089 1.00 31.03 N ATOM 1283 CA ILE A 91 -6.852 5.914 15.016 1.00 3.12 C ATOM 1284 C ILE A 91 -7.605 5.764 13.699 1.00 71.30 C ATOM 1285 O ILE A 91 -8.507 6.544 13.395 1.00 1.52 O ATOM 1286 CB ILE A 91 -7.840 5.731 16.183 1.00 4.25 C ATOM 1287 CG1 ILE A 91 -7.114 5.877 17.522 1.00 4.54 C ATOM 1288 CG2 ILE A 91 -8.524 4.375 16.091 1.00 44.40 C ATOM 1289 CD1 ILE A 91 -7.291 7.237 18.160 1.00 1.44 C ATOM 0 H ILE A 91 -6.796 8.009 15.065 1.00 31.03 H new ATOM 0 HA ILE A 91 -6.081 5.147 15.081 1.00 3.12 H new ATOM 0 HB ILE A 91 -8.603 6.506 16.118 1.00 4.25 H new ATOM 0 HG12 ILE A 91 -7.478 5.112 18.209 1.00 4.54 H new ATOM 0 HG13 ILE A 91 -6.051 5.691 17.372 1.00 4.54 H new ATOM 0 HG21 ILE A 91 -9.219 4.261 16.923 1.00 44.40 H new ATOM 0 HG22 ILE A 91 -9.070 4.306 15.150 1.00 44.40 H new ATOM 0 HG23 ILE A 91 -7.774 3.585 16.134 1.00 44.40 H new ATOM 0 HD11 ILE A 91 -6.749 7.269 19.105 1.00 1.44 H new ATOM 0 HD12 ILE A 91 -6.901 8.006 17.493 1.00 1.44 H new ATOM 0 HD13 ILE A 91 -8.350 7.418 18.342 1.00 1.44 H new ATOM 1301 N SER A 92 -7.230 4.753 12.921 1.00 10.30 N ATOM 1302 CA SER A 92 -7.869 4.501 11.635 1.00 61.13 C ATOM 1303 C SER A 92 -8.874 3.358 11.742 1.00 11.24 C ATOM 1304 O SER A 92 -8.615 2.349 12.398 1.00 50.01 O ATOM 1305 CB SER A 92 -6.816 4.171 10.575 1.00 54.14 C ATOM 1306 OG SER A 92 -7.378 4.193 9.274 1.00 52.31 O ATOM 0 H SER A 92 -6.487 4.096 13.159 1.00 10.30 H new ATOM 0 HA SER A 92 -8.403 5.404 11.339 1.00 61.13 H new ATOM 0 HB2 SER A 92 -5.999 4.890 10.634 1.00 54.14 H new ATOM 0 HB3 SER A 92 -6.391 3.187 10.774 1.00 54.14 H new ATOM 0 HG SER A 92 -7.011 4.950 8.772 1.00 52.31 H new ATOM 1312 N TRP A 93 -10.021 3.525 11.094 1.00 12.35 N ATOM 1313 CA TRP A 93 -11.067 2.508 11.117 1.00 44.42 C ATOM 1314 C TRP A 93 -10.940 1.572 9.920 1.00 34.34 C ATOM 1315 O TRP A 93 -11.098 1.990 8.774 1.00 33.32 O ATOM 1316 CB TRP A 93 -12.447 3.167 11.121 1.00 31.34 C ATOM 1317 CG TRP A 93 -12.608 4.201 12.194 1.00 14.01 C ATOM 1318 CD1 TRP A 93 -12.915 5.520 12.021 1.00 52.51 C ATOM 1319 CD2 TRP A 93 -12.469 4.001 13.605 1.00 50.30 C ATOM 1320 NE1 TRP A 93 -12.975 6.153 13.239 1.00 0.12 N ATOM 1321 CE2 TRP A 93 -12.706 5.243 14.227 1.00 70.12 C ATOM 1322 CE3 TRP A 93 -12.169 2.894 14.404 1.00 54.54 C ATOM 1323 CZ2 TRP A 93 -12.651 5.406 15.609 1.00 63.55 C ATOM 1324 CZ3 TRP A 93 -12.115 3.058 15.775 1.00 64.43 C ATOM 1325 CH2 TRP A 93 -12.355 4.305 16.366 1.00 20.01 C ATOM 0 H TRP A 93 -10.251 4.354 10.546 1.00 12.35 H new ATOM 0 HA TRP A 93 -10.950 1.921 12.028 1.00 44.42 H new ATOM 0 HB2 TRP A 93 -12.623 3.630 10.150 1.00 31.34 H new ATOM 0 HB3 TRP A 93 -13.209 2.398 11.250 1.00 31.34 H new ATOM 0 HD1 TRP A 93 -13.086 5.996 11.067 1.00 52.51 H new ATOM 0 HE1 TRP A 93 -13.186 7.140 13.384 1.00 0.12 H new ATOM 0 HE3 TRP A 93 -11.983 1.928 13.958 1.00 54.54 H new ATOM 0 HZ2 TRP A 93 -12.835 6.367 16.067 1.00 63.55 H new ATOM 0 HZ3 TRP A 93 -11.884 2.210 16.402 1.00 64.43 H new ATOM 0 HH2 TRP A 93 -12.305 4.400 17.441 1.00 20.01 H new ATOM 1336 N ASN A 94 -10.655 0.303 10.195 1.00 71.00 N ATOM 1337 CA ASN A 94 -10.508 -0.693 9.140 1.00 44.13 C ATOM 1338 C ASN A 94 -10.549 -2.105 9.715 1.00 32.31 C ATOM 1339 O ASN A 94 -9.520 -2.712 10.011 1.00 22.34 O ATOM 1340 CB ASN A 94 -9.194 -0.476 8.385 1.00 34.01 C ATOM 1341 CG ASN A 94 -8.821 -1.665 7.520 1.00 13.35 C ATOM 1342 OD1 ASN A 94 -7.667 -2.092 7.497 1.00 1.34 O ATOM 1343 ND2 ASN A 94 -9.800 -2.205 6.804 1.00 41.14 N ATOM 0 H ASN A 94 -10.521 -0.059 11.139 1.00 71.00 H new ATOM 0 HA ASN A 94 -11.342 -0.578 8.447 1.00 44.13 H new ATOM 0 HB2 ASN A 94 -9.280 0.412 7.759 1.00 34.01 H new ATOM 0 HB3 ASN A 94 -8.394 -0.286 9.101 1.00 34.01 H new ATOM 0 HD21 ASN A 94 -9.610 -3.007 6.204 1.00 41.14 H new ATOM 0 HD22 ASN A 94 -10.742 -1.818 6.854 1.00 41.14 H new ATOM 1350 N PRO A 95 -11.768 -2.643 9.877 1.00 45.41 N ATOM 1351 CA PRO A 95 -11.973 -3.990 10.417 1.00 51.04 C ATOM 1352 C PRO A 95 -11.514 -5.077 9.451 1.00 34.40 C ATOM 1353 O PRO A 95 -11.836 -5.042 8.263 1.00 3.11 O ATOM 1354 CB PRO A 95 -13.488 -4.062 10.623 1.00 72.25 C ATOM 1355 CG PRO A 95 -14.050 -3.084 9.649 1.00 2.14 C ATOM 1356 CD PRO A 95 -13.038 -1.976 9.545 1.00 31.30 C ATOM 0 HA PRO A 95 -11.397 -4.157 11.327 1.00 51.04 H new ATOM 0 HB2 PRO A 95 -13.865 -5.067 10.437 1.00 72.25 H new ATOM 0 HB3 PRO A 95 -13.761 -3.803 11.646 1.00 72.25 H new ATOM 0 HG2 PRO A 95 -14.218 -3.552 8.679 1.00 2.14 H new ATOM 0 HG3 PRO A 95 -15.013 -2.703 9.990 1.00 2.14 H new ATOM 0 HD2 PRO A 95 -13.016 -1.544 8.544 1.00 31.30 H new ATOM 0 HD3 PRO A 95 -13.259 -1.164 10.238 1.00 31.30 H new ATOM 1364 N ASP A 96 -10.762 -6.043 9.968 1.00 15.45 N ATOM 1365 CA ASP A 96 -10.261 -7.142 9.152 1.00 43.20 C ATOM 1366 C ASP A 96 -11.410 -7.898 8.493 1.00 12.01 C ATOM 1367 O ASP A 96 -11.226 -8.562 7.473 1.00 24.23 O ATOM 1368 CB ASP A 96 -9.426 -8.099 10.005 1.00 74.05 C ATOM 1369 CG ASP A 96 -8.069 -7.525 10.360 1.00 51.42 C ATOM 1370 OD1 ASP A 96 -7.282 -7.247 9.432 1.00 45.14 O ATOM 1371 OD2 ASP A 96 -7.794 -7.354 11.566 1.00 11.32 O ATOM 0 H ASP A 96 -10.486 -6.087 10.949 1.00 15.45 H new ATOM 0 HA ASP A 96 -9.630 -6.722 8.368 1.00 43.20 H new ATOM 0 HB2 ASP A 96 -9.969 -8.333 10.921 1.00 74.05 H new ATOM 0 HB3 ASP A 96 -9.291 -9.037 9.466 1.00 74.05 H new ATOM 1376 N SER A 97 -12.596 -7.793 9.084 1.00 54.05 N ATOM 1377 CA SER A 97 -13.775 -8.471 8.557 1.00 51.12 C ATOM 1378 C SER A 97 -14.661 -7.499 7.784 1.00 41.53 C ATOM 1379 O SER A 97 -15.813 -7.801 7.476 1.00 61.11 O ATOM 1380 CB SER A 97 -14.573 -9.111 9.695 1.00 43.42 C ATOM 1381 OG SER A 97 -14.557 -10.524 9.597 1.00 61.22 O ATOM 0 H SER A 97 -12.766 -7.245 9.928 1.00 54.05 H new ATOM 0 HA SER A 97 -13.439 -9.251 7.874 1.00 51.12 H new ATOM 0 HB2 SER A 97 -14.154 -8.805 10.654 1.00 43.42 H new ATOM 0 HB3 SER A 97 -15.602 -8.753 9.668 1.00 43.42 H new ATOM 0 HG SER A 97 -15.072 -10.909 10.336 1.00 61.22 H new ATOM 1387 N GLY A 98 -14.113 -6.328 7.473 1.00 41.51 N ATOM 1388 CA GLY A 98 -14.866 -5.328 6.739 1.00 51.33 C ATOM 1389 C GLY A 98 -14.911 -5.613 5.251 1.00 52.24 C ATOM 1390 O GLY A 98 -15.545 -6.573 4.815 1.00 61.42 O ATOM 0 H GLY A 98 -13.161 -6.054 7.716 1.00 41.51 H new ATOM 0 HA2 GLY A 98 -15.883 -5.285 7.129 1.00 51.33 H new ATOM 0 HA3 GLY A 98 -14.420 -4.347 6.905 1.00 51.33 H new ATOM 1394 N ALA A 99 -14.238 -4.775 4.469 1.00 72.04 N ATOM 1395 CA ALA A 99 -14.204 -4.942 3.021 1.00 62.10 C ATOM 1396 C ALA A 99 -12.769 -5.025 2.512 1.00 42.12 C ATOM 1397 O ALA A 99 -11.824 -4.593 3.173 1.00 31.40 O ATOM 1398 CB ALA A 99 -14.942 -3.799 2.340 1.00 34.31 C ATOM 0 H ALA A 99 -13.709 -3.974 4.814 1.00 72.04 H new ATOM 0 HA ALA A 99 -14.704 -5.879 2.776 1.00 62.10 H new ATOM 0 HB1 ALA A 99 -14.908 -3.937 1.259 1.00 34.31 H new ATOM 0 HB2 ALA A 99 -15.980 -3.787 2.672 1.00 34.31 H new ATOM 0 HB3 ALA A 99 -14.467 -2.853 2.600 1.00 34.31 H new ATOM 1404 N PRO A 100 -12.599 -5.593 1.309 1.00 42.03 N ATOM 1405 CA PRO A 100 -11.281 -5.746 0.685 1.00 53.25 C ATOM 1406 C PRO A 100 -10.689 -4.411 0.247 1.00 41.34 C ATOM 1407 O PRO A 100 -9.518 -4.128 0.500 1.00 41.42 O ATOM 1408 CB PRO A 100 -11.566 -6.630 -0.533 1.00 3.54 C ATOM 1409 CG PRO A 100 -13.000 -6.384 -0.852 1.00 60.00 C ATOM 1410 CD PRO A 100 -13.680 -6.129 0.465 1.00 62.42 C ATOM 0 HA PRO A 100 -10.550 -6.169 1.374 1.00 53.25 H new ATOM 0 HB2 PRO A 100 -10.923 -6.367 -1.373 1.00 3.54 H new ATOM 0 HB3 PRO A 100 -11.385 -7.681 -0.310 1.00 3.54 H new ATOM 0 HG2 PRO A 100 -13.110 -5.530 -1.520 1.00 60.00 H new ATOM 0 HG3 PRO A 100 -13.440 -7.243 -1.358 1.00 60.00 H new ATOM 0 HD2 PRO A 100 -14.500 -5.418 0.363 1.00 62.42 H new ATOM 0 HD3 PRO A 100 -14.101 -7.043 0.884 1.00 62.42 H new ATOM 1418 N ARG A 101 -11.505 -3.594 -0.411 1.00 12.40 N ATOM 1419 CA ARG A 101 -11.061 -2.288 -0.885 1.00 20.35 C ATOM 1420 C ARG A 101 -10.600 -1.416 0.279 1.00 1.23 C ATOM 1421 O ARG A 101 -9.581 -0.730 0.190 1.00 1.23 O ATOM 1422 CB ARG A 101 -12.188 -1.588 -1.646 1.00 2.31 C ATOM 1423 CG ARG A 101 -11.995 -1.586 -3.154 1.00 32.54 C ATOM 1424 CD ARG A 101 -12.617 -2.817 -3.796 1.00 1.24 C ATOM 1425 NE ARG A 101 -12.580 -2.751 -5.254 1.00 64.11 N ATOM 1426 CZ ARG A 101 -12.838 -3.788 -6.043 1.00 52.23 C ATOM 1427 NH1 ARG A 101 -13.152 -4.964 -5.517 1.00 42.33 N ATOM 1428 NH2 ARG A 101 -12.784 -3.649 -7.362 1.00 20.21 N ATOM 0 H ARG A 101 -12.477 -3.813 -0.628 1.00 12.40 H new ATOM 0 HA ARG A 101 -10.218 -2.441 -1.559 1.00 20.35 H new ATOM 0 HB2 ARG A 101 -13.133 -2.077 -1.410 1.00 2.31 H new ATOM 0 HB3 ARG A 101 -12.266 -0.558 -1.297 1.00 2.31 H new ATOM 0 HG2 ARG A 101 -12.443 -0.687 -3.578 1.00 32.54 H new ATOM 0 HG3 ARG A 101 -10.930 -1.552 -3.386 1.00 32.54 H new ATOM 0 HD2 ARG A 101 -12.087 -3.708 -3.460 1.00 1.24 H new ATOM 0 HD3 ARG A 101 -13.650 -2.916 -3.464 1.00 1.24 H new ATOM 0 HE ARG A 101 -12.343 -1.860 -5.691 1.00 64.11 H new ATOM 0 HH11 ARG A 101 -13.196 -5.074 -4.504 1.00 42.33 H new ATOM 0 HH12 ARG A 101 -13.350 -5.758 -6.125 1.00 42.33 H new ATOM 0 HH21 ARG A 101 -12.544 -2.746 -7.770 1.00 20.21 H new ATOM 0 HH22 ARG A 101 -12.982 -4.446 -7.967 1.00 20.21 H new ATOM 1442 N THR A 102 -11.357 -1.446 1.371 1.00 14.04 N ATOM 1443 CA THR A 102 -11.028 -0.657 2.552 1.00 72.40 C ATOM 1444 C THR A 102 -9.736 -1.146 3.197 1.00 52.02 C ATOM 1445 O THR A 102 -8.923 -0.349 3.665 1.00 13.51 O ATOM 1446 CB THR A 102 -12.160 -0.708 3.595 1.00 34.22 C ATOM 1447 OG1 THR A 102 -12.173 -1.985 4.242 1.00 31.55 O ATOM 1448 CG2 THR A 102 -13.510 -0.452 2.942 1.00 50.41 C ATOM 0 H THR A 102 -12.203 -2.009 1.462 1.00 14.04 H new ATOM 0 HA THR A 102 -10.898 0.372 2.218 1.00 72.40 H new ATOM 0 HB THR A 102 -11.978 0.072 4.334 1.00 34.22 H new ATOM 0 HG1 THR A 102 -12.053 -2.692 3.574 1.00 31.55 H new ATOM 0 HG21 THR A 102 -14.294 -0.493 3.698 1.00 50.41 H new ATOM 0 HG22 THR A 102 -13.507 0.533 2.475 1.00 50.41 H new ATOM 0 HG23 THR A 102 -13.697 -1.212 2.184 1.00 50.41 H new ATOM 1456 N LYS A 103 -9.551 -2.462 3.218 1.00 55.44 N ATOM 1457 CA LYS A 103 -8.357 -3.058 3.803 1.00 3.22 C ATOM 1458 C LYS A 103 -7.105 -2.625 3.046 1.00 54.11 C ATOM 1459 O LYS A 103 -6.117 -2.208 3.649 1.00 51.12 O ATOM 1460 CB LYS A 103 -8.468 -4.584 3.796 1.00 25.21 C ATOM 1461 CG LYS A 103 -7.166 -5.290 4.136 1.00 72.13 C ATOM 1462 CD LYS A 103 -6.619 -4.835 5.478 1.00 21.12 C ATOM 1463 CE LYS A 103 -5.480 -5.727 5.947 1.00 63.21 C ATOM 1464 NZ LYS A 103 -4.447 -4.960 6.697 1.00 41.01 N ATOM 0 H LYS A 103 -10.214 -3.136 2.836 1.00 55.44 H new ATOM 0 HA LYS A 103 -8.275 -2.710 4.833 1.00 3.22 H new ATOM 0 HB2 LYS A 103 -9.233 -4.888 4.510 1.00 25.21 H new ATOM 0 HB3 LYS A 103 -8.803 -4.911 2.812 1.00 25.21 H new ATOM 0 HG2 LYS A 103 -7.330 -6.367 4.155 1.00 72.13 H new ATOM 0 HG3 LYS A 103 -6.430 -5.093 3.356 1.00 72.13 H new ATOM 0 HD2 LYS A 103 -6.268 -3.806 5.399 1.00 21.12 H new ATOM 0 HD3 LYS A 103 -7.418 -4.843 6.219 1.00 21.12 H new ATOM 0 HE2 LYS A 103 -5.877 -6.519 6.582 1.00 63.21 H new ATOM 0 HE3 LYS A 103 -5.019 -6.210 5.086 1.00 63.21 H new ATOM 0 HZ1 LYS A 103 -3.688 -5.604 6.999 1.00 41.01 H new ATOM 0 HZ2 LYS A 103 -4.050 -4.221 6.083 1.00 41.01 H new ATOM 0 HZ3 LYS A 103 -4.881 -4.519 7.533 1.00 41.01 H new ATOM 1478 N MET A 104 -7.156 -2.726 1.722 1.00 52.33 N ATOM 1479 CA MET A 104 -6.027 -2.342 0.883 1.00 50.44 C ATOM 1480 C MET A 104 -5.856 -0.826 0.862 1.00 51.15 C ATOM 1481 O MET A 104 -4.738 -0.316 0.941 1.00 43.05 O ATOM 1482 CB MET A 104 -6.222 -2.864 -0.542 1.00 64.40 C ATOM 1483 CG MET A 104 -4.989 -3.546 -1.113 1.00 4.20 C ATOM 1484 SD MET A 104 -3.882 -2.393 -1.948 1.00 1.11 S ATOM 1485 CE MET A 104 -2.656 -3.519 -2.609 1.00 60.10 C ATOM 0 H MET A 104 -7.967 -3.070 1.207 1.00 52.33 H new ATOM 0 HA MET A 104 -5.126 -2.786 1.305 1.00 50.44 H new ATOM 0 HB2 MET A 104 -7.054 -3.568 -0.552 1.00 64.40 H new ATOM 0 HB3 MET A 104 -6.500 -2.033 -1.190 1.00 64.40 H new ATOM 0 HG2 MET A 104 -4.449 -4.044 -0.308 1.00 4.20 H new ATOM 0 HG3 MET A 104 -5.299 -4.320 -1.816 1.00 4.20 H new ATOM 0 HE1 MET A 104 -1.900 -2.954 -3.155 1.00 60.10 H new ATOM 0 HE2 MET A 104 -2.183 -4.063 -1.791 1.00 60.10 H new ATOM 0 HE3 MET A 104 -3.138 -4.226 -3.284 1.00 60.10 H new ATOM 1495 N LEU A 105 -6.971 -0.111 0.754 1.00 4.13 N ATOM 1496 CA LEU A 105 -6.944 1.347 0.723 1.00 41.34 C ATOM 1497 C LEU A 105 -6.217 1.905 1.942 1.00 10.30 C ATOM 1498 O LEU A 105 -5.609 2.974 1.880 1.00 64.14 O ATOM 1499 CB LEU A 105 -8.368 1.902 0.666 1.00 74.12 C ATOM 1500 CG LEU A 105 -8.994 2.004 -0.726 1.00 2.42 C ATOM 1501 CD1 LEU A 105 -10.501 2.181 -0.622 1.00 43.21 C ATOM 1502 CD2 LEU A 105 -8.373 3.154 -1.506 1.00 64.43 C ATOM 0 H LEU A 105 -7.904 -0.517 0.686 1.00 4.13 H new ATOM 0 HA LEU A 105 -6.404 1.656 -0.172 1.00 41.34 H new ATOM 0 HB2 LEU A 105 -9.007 1.272 1.284 1.00 74.12 H new ATOM 0 HB3 LEU A 105 -8.368 2.895 1.116 1.00 74.12 H new ATOM 0 HG LEU A 105 -8.794 1.077 -1.263 1.00 2.42 H new ATOM 0 HD11 LEU A 105 -10.929 2.252 -1.622 1.00 43.21 H new ATOM 0 HD12 LEU A 105 -10.933 1.326 -0.102 1.00 43.21 H new ATOM 0 HD13 LEU A 105 -10.723 3.093 -0.067 1.00 43.21 H new ATOM 0 HD21 LEU A 105 -8.830 3.212 -2.494 1.00 64.43 H new ATOM 0 HD22 LEU A 105 -8.542 4.089 -0.972 1.00 64.43 H new ATOM 0 HD23 LEU A 105 -7.301 2.985 -1.611 1.00 64.43 H new ATOM 1514 N TYR A 106 -6.283 1.174 3.049 1.00 2.21 N ATOM 1515 CA TYR A 106 -5.631 1.596 4.283 1.00 31.03 C ATOM 1516 C TYR A 106 -4.129 1.765 4.076 1.00 31.11 C ATOM 1517 O TYR A 106 -3.549 2.782 4.456 1.00 31.02 O ATOM 1518 CB TYR A 106 -5.893 0.579 5.396 1.00 44.41 C ATOM 1519 CG TYR A 106 -5.051 0.804 6.632 1.00 42.23 C ATOM 1520 CD1 TYR A 106 -5.254 1.914 7.442 1.00 15.41 C ATOM 1521 CD2 TYR A 106 -4.051 -0.093 6.988 1.00 14.53 C ATOM 1522 CE1 TYR A 106 -4.487 2.124 8.572 1.00 54.52 C ATOM 1523 CE2 TYR A 106 -3.281 0.109 8.117 1.00 64.31 C ATOM 1524 CZ TYR A 106 -3.502 1.219 8.905 1.00 32.42 C ATOM 1525 OH TYR A 106 -2.736 1.423 10.029 1.00 5.44 O ATOM 0 H TYR A 106 -6.781 0.287 3.117 1.00 2.21 H new ATOM 0 HA TYR A 106 -6.049 2.560 4.574 1.00 31.03 H new ATOM 0 HB2 TYR A 106 -6.947 0.619 5.672 1.00 44.41 H new ATOM 0 HB3 TYR A 106 -5.701 -0.423 5.013 1.00 44.41 H new ATOM 0 HD1 TYR A 106 -6.025 2.625 7.184 1.00 15.41 H new ATOM 0 HD2 TYR A 106 -3.873 -0.962 6.372 1.00 14.53 H new ATOM 0 HE1 TYR A 106 -4.658 2.992 9.191 1.00 54.52 H new ATOM 0 HE2 TYR A 106 -2.510 -0.599 8.381 1.00 64.31 H new ATOM 0 HH TYR A 106 -3.052 0.840 10.751 1.00 5.44 H new ATOM 1535 N SER A 107 -3.505 0.760 3.470 1.00 73.03 N ATOM 1536 CA SER A 107 -2.070 0.794 3.214 1.00 51.22 C ATOM 1537 C SER A 107 -1.727 1.869 2.186 1.00 30.43 C ATOM 1538 O SER A 107 -0.816 2.670 2.391 1.00 43.40 O ATOM 1539 CB SER A 107 -1.586 -0.571 2.722 1.00 63.11 C ATOM 1540 OG SER A 107 -0.196 -0.730 2.947 1.00 63.41 O ATOM 0 H SER A 107 -3.971 -0.088 3.147 1.00 73.03 H new ATOM 0 HA SER A 107 -1.564 1.035 4.149 1.00 51.22 H new ATOM 0 HB2 SER A 107 -2.134 -1.361 3.235 1.00 63.11 H new ATOM 0 HB3 SER A 107 -1.800 -0.674 1.658 1.00 63.11 H new ATOM 0 HG SER A 107 0.089 -1.611 2.626 1.00 63.41 H new ATOM 1546 N SER A 108 -2.464 1.878 1.080 1.00 32.33 N ATOM 1547 CA SER A 108 -2.237 2.850 0.018 1.00 44.40 C ATOM 1548 C SER A 108 -2.310 4.274 0.561 1.00 44.44 C ATOM 1549 O SER A 108 -1.708 5.194 0.005 1.00 31.32 O ATOM 1550 CB SER A 108 -3.264 2.665 -1.100 1.00 40.45 C ATOM 1551 OG SER A 108 -3.066 1.436 -1.777 1.00 4.11 O ATOM 0 H SER A 108 -3.224 1.223 0.896 1.00 32.33 H new ATOM 0 HA SER A 108 -1.238 2.684 -0.386 1.00 44.40 H new ATOM 0 HB2 SER A 108 -4.270 2.695 -0.682 1.00 40.45 H new ATOM 0 HB3 SER A 108 -3.188 3.490 -1.808 1.00 40.45 H new ATOM 0 HG SER A 108 -3.736 1.341 -2.486 1.00 4.11 H new ATOM 1557 N SER A 109 -3.051 4.449 1.650 1.00 71.31 N ATOM 1558 CA SER A 109 -3.207 5.761 2.267 1.00 61.23 C ATOM 1559 C SER A 109 -2.209 5.948 3.405 1.00 25.00 C ATOM 1560 O SER A 109 -1.829 7.072 3.734 1.00 60.02 O ATOM 1561 CB SER A 109 -4.634 5.935 2.791 1.00 43.23 C ATOM 1562 OG SER A 109 -5.566 5.981 1.725 1.00 54.42 O ATOM 0 H SER A 109 -3.553 3.698 2.124 1.00 71.31 H new ATOM 0 HA SER A 109 -3.012 6.518 1.508 1.00 61.23 H new ATOM 0 HB2 SER A 109 -4.882 5.111 3.460 1.00 43.23 H new ATOM 0 HB3 SER A 109 -4.701 6.852 3.376 1.00 43.23 H new ATOM 0 HG SER A 109 -5.855 5.071 1.504 1.00 54.42 H new ATOM 1568 N ARG A 110 -1.787 4.838 4.003 1.00 54.23 N ATOM 1569 CA ARG A 110 -0.834 4.879 5.105 1.00 33.32 C ATOM 1570 C ARG A 110 0.524 5.389 4.631 1.00 34.34 C ATOM 1571 O ARG A 110 1.192 6.148 5.333 1.00 10.01 O ATOM 1572 CB ARG A 110 -0.681 3.489 5.726 1.00 23.00 C ATOM 1573 CG ARG A 110 -0.880 3.470 7.233 1.00 72.43 C ATOM 1574 CD ARG A 110 0.093 4.403 7.936 1.00 65.54 C ATOM 1575 NE ARG A 110 0.620 3.818 9.166 1.00 62.11 N ATOM 1576 CZ ARG A 110 1.556 2.875 9.190 1.00 55.12 C ATOM 1577 NH1 ARG A 110 2.065 2.413 8.056 1.00 32.13 N ATOM 1578 NH2 ARG A 110 1.984 2.393 10.350 1.00 72.15 N ATOM 0 H ARG A 110 -2.090 3.900 3.742 1.00 54.23 H new ATOM 0 HA ARG A 110 -1.217 5.566 5.859 1.00 33.32 H new ATOM 0 HB2 ARG A 110 -1.401 2.813 5.264 1.00 23.00 H new ATOM 0 HB3 ARG A 110 0.312 3.104 5.494 1.00 23.00 H new ATOM 0 HG2 ARG A 110 -1.903 3.764 7.470 1.00 72.43 H new ATOM 0 HG3 ARG A 110 -0.746 2.455 7.606 1.00 72.43 H new ATOM 0 HD2 ARG A 110 0.918 4.639 7.264 1.00 65.54 H new ATOM 0 HD3 ARG A 110 -0.409 5.343 8.167 1.00 65.54 H new ATOM 0 HE ARG A 110 0.249 4.152 10.056 1.00 62.11 H new ATOM 0 HH11 ARG A 110 1.738 2.781 7.163 1.00 32.13 H new ATOM 0 HH12 ARG A 110 2.783 1.689 8.077 1.00 32.13 H new ATOM 0 HH21 ARG A 110 1.594 2.746 11.224 1.00 72.15 H new ATOM 0 HH22 ARG A 110 2.702 1.669 10.368 1.00 72.15 H new ATOM 1592 N ASP A 111 0.925 4.966 3.438 1.00 72.23 N ATOM 1593 CA ASP A 111 2.203 5.380 2.870 1.00 75.24 C ATOM 1594 C ASP A 111 2.236 6.889 2.649 1.00 74.23 C ATOM 1595 O ASP A 111 3.229 7.549 2.952 1.00 62.35 O ATOM 1596 CB ASP A 111 2.457 4.653 1.548 1.00 31.33 C ATOM 1597 CG ASP A 111 3.903 4.226 1.391 1.00 3.23 C ATOM 1598 OD1 ASP A 111 4.249 3.121 1.858 1.00 4.00 O ATOM 1599 OD2 ASP A 111 4.689 4.998 0.802 1.00 23.15 O ATOM 0 H ASP A 111 0.384 4.337 2.845 1.00 72.23 H new ATOM 0 HA ASP A 111 2.989 5.117 3.578 1.00 75.24 H new ATOM 0 HB2 ASP A 111 1.814 3.775 1.490 1.00 31.33 H new ATOM 0 HB3 ASP A 111 2.182 5.305 0.719 1.00 31.33 H new ATOM 1604 N ALA A 112 1.143 7.428 2.118 1.00 11.11 N ATOM 1605 CA ALA A 112 1.047 8.859 1.857 1.00 14.05 C ATOM 1606 C ALA A 112 0.733 9.630 3.135 1.00 32.13 C ATOM 1607 O ALA A 112 1.017 10.824 3.238 1.00 55.14 O ATOM 1608 CB ALA A 112 -0.013 9.133 0.800 1.00 23.31 C ATOM 0 H ALA A 112 0.312 6.895 1.860 1.00 11.11 H new ATOM 0 HA ALA A 112 2.013 9.201 1.485 1.00 14.05 H new ATOM 0 HB1 ALA A 112 -0.074 10.205 0.615 1.00 23.31 H new ATOM 0 HB2 ALA A 112 0.254 8.620 -0.124 1.00 23.31 H new ATOM 0 HB3 ALA A 112 -0.979 8.770 1.151 1.00 23.31 H new ATOM 1614 N LEU A 113 0.146 8.941 4.107 1.00 35.42 N ATOM 1615 CA LEU A 113 -0.208 9.561 5.379 1.00 3.04 C ATOM 1616 C LEU A 113 0.988 9.582 6.326 1.00 62.31 C ATOM 1617 O LEU A 113 1.054 10.401 7.242 1.00 1.13 O ATOM 1618 CB LEU A 113 -1.373 8.812 6.028 1.00 12.22 C ATOM 1619 CG LEU A 113 -2.771 9.190 5.536 1.00 62.31 C ATOM 1620 CD1 LEU A 113 -3.827 8.337 6.222 1.00 42.10 C ATOM 1621 CD2 LEU A 113 -3.039 10.668 5.775 1.00 40.55 C ATOM 0 H LEU A 113 -0.095 7.952 4.039 1.00 35.42 H new ATOM 0 HA LEU A 113 -0.510 10.589 5.182 1.00 3.04 H new ATOM 0 HB2 LEU A 113 -1.228 7.744 5.864 1.00 12.22 H new ATOM 0 HB3 LEU A 113 -1.331 8.978 7.104 1.00 12.22 H new ATOM 0 HG LEU A 113 -2.821 9.001 4.464 1.00 62.31 H new ATOM 0 HD11 LEU A 113 -4.815 8.620 5.859 1.00 42.10 H new ATOM 0 HD12 LEU A 113 -3.646 7.285 5.999 1.00 42.10 H new ATOM 0 HD13 LEU A 113 -3.777 8.493 7.300 1.00 42.10 H new ATOM 0 HD21 LEU A 113 -4.038 10.919 5.419 1.00 40.55 H new ATOM 0 HD22 LEU A 113 -2.969 10.883 6.841 1.00 40.55 H new ATOM 0 HD23 LEU A 113 -2.302 11.263 5.236 1.00 40.55 H new ATOM 1633 N VAL A 114 1.934 8.676 6.096 1.00 33.25 N ATOM 1634 CA VAL A 114 3.130 8.592 6.926 1.00 35.13 C ATOM 1635 C VAL A 114 3.848 9.935 6.992 1.00 63.20 C ATOM 1636 O VAL A 114 4.102 10.480 8.067 1.00 74.44 O ATOM 1637 CB VAL A 114 4.106 7.525 6.397 1.00 21.23 C ATOM 1638 CG1 VAL A 114 5.541 7.900 6.734 1.00 21.14 C ATOM 1639 CG2 VAL A 114 3.757 6.157 6.963 1.00 20.52 C ATOM 0 H VAL A 114 1.895 7.990 5.342 1.00 33.25 H new ATOM 0 HA VAL A 114 2.802 8.309 7.926 1.00 35.13 H new ATOM 0 HB VAL A 114 4.013 7.479 5.312 1.00 21.23 H new ATOM 0 HG11 VAL A 114 6.216 7.134 6.352 1.00 21.14 H new ATOM 0 HG12 VAL A 114 5.784 8.859 6.276 1.00 21.14 H new ATOM 0 HG13 VAL A 114 5.653 7.976 7.816 1.00 21.14 H new ATOM 0 HG21 VAL A 114 4.457 5.415 6.579 1.00 20.52 H new ATOM 0 HG22 VAL A 114 3.820 6.186 8.051 1.00 20.52 H new ATOM 0 HG23 VAL A 114 2.743 5.888 6.666 1.00 20.52 H new ATOM 1649 N PRO A 115 4.185 10.484 5.815 1.00 23.44 N ATOM 1650 CA PRO A 115 4.879 11.771 5.712 1.00 30.11 C ATOM 1651 C PRO A 115 3.990 12.942 6.115 1.00 10.41 C ATOM 1652 O PRO A 115 4.465 13.933 6.671 1.00 5.24 O ATOM 1653 CB PRO A 115 5.241 11.860 4.228 1.00 42.55 C ATOM 1654 CG PRO A 115 4.233 11.006 3.539 1.00 1.24 C ATOM 1655 CD PRO A 115 3.915 9.890 4.495 1.00 34.03 C ATOM 0 HA PRO A 115 5.740 11.825 6.379 1.00 30.11 H new ATOM 0 HB2 PRO A 115 5.198 12.889 3.871 1.00 42.55 H new ATOM 0 HB3 PRO A 115 6.254 11.502 4.046 1.00 42.55 H new ATOM 0 HG2 PRO A 115 3.338 11.578 3.295 1.00 1.24 H new ATOM 0 HG3 PRO A 115 4.628 10.616 2.601 1.00 1.24 H new ATOM 0 HD2 PRO A 115 2.878 9.567 4.404 1.00 34.03 H new ATOM 0 HD3 PRO A 115 4.539 9.015 4.313 1.00 34.03 H new ATOM 1663 N LEU A 116 2.698 12.823 5.832 1.00 54.11 N ATOM 1664 CA LEU A 116 1.741 13.873 6.166 1.00 61.23 C ATOM 1665 C LEU A 116 1.602 14.022 7.677 1.00 2.33 C ATOM 1666 O LEU A 116 1.656 15.131 8.211 1.00 51.15 O ATOM 1667 CB LEU A 116 0.378 13.564 5.545 1.00 73.21 C ATOM 1668 CG LEU A 116 -0.494 14.773 5.204 1.00 32.10 C ATOM 1669 CD1 LEU A 116 -0.840 15.554 6.463 1.00 64.44 C ATOM 1670 CD2 LEU A 116 0.208 15.669 4.194 1.00 31.02 C ATOM 0 H LEU A 116 2.288 12.010 5.372 1.00 54.11 H new ATOM 0 HA LEU A 116 2.114 14.813 5.760 1.00 61.23 H new ATOM 0 HB2 LEU A 116 0.539 12.988 4.633 1.00 73.21 H new ATOM 0 HB3 LEU A 116 -0.175 12.924 6.232 1.00 73.21 H new ATOM 0 HG LEU A 116 -1.421 14.414 4.758 1.00 32.10 H new ATOM 0 HD11 LEU A 116 -1.461 16.411 6.201 1.00 64.44 H new ATOM 0 HD12 LEU A 116 -1.384 14.909 7.153 1.00 64.44 H new ATOM 0 HD13 LEU A 116 0.077 15.902 6.938 1.00 64.44 H new ATOM 0 HD21 LEU A 116 -0.427 16.524 3.963 1.00 31.02 H new ATOM 0 HD22 LEU A 116 1.151 16.020 4.613 1.00 31.02 H new ATOM 0 HD23 LEU A 116 0.404 15.105 3.282 1.00 31.02 H new ATOM 1682 N THR A 117 1.425 12.898 8.364 1.00 24.14 N ATOM 1683 CA THR A 117 1.280 12.903 9.814 1.00 0.25 C ATOM 1684 C THR A 117 2.379 12.083 10.480 1.00 31.22 C ATOM 1685 O THR A 117 2.108 11.059 11.107 1.00 74.13 O ATOM 1686 CB THR A 117 -0.091 12.348 10.244 1.00 71.33 C ATOM 1687 OG1 THR A 117 -0.224 10.987 9.817 1.00 2.22 O ATOM 1688 CG2 THR A 117 -1.220 13.181 9.657 1.00 73.03 C ATOM 0 H THR A 117 1.379 11.972 7.939 1.00 24.14 H new ATOM 0 HA THR A 117 1.360 13.941 10.135 1.00 0.25 H new ATOM 0 HB THR A 117 -0.153 12.395 11.331 1.00 71.33 H new ATOM 0 HG1 THR A 117 0.462 10.439 10.252 1.00 2.22 H new ATOM 0 HG21 THR A 117 -2.178 12.770 9.974 1.00 73.03 H new ATOM 0 HG22 THR A 117 -1.133 14.210 10.006 1.00 73.03 H new ATOM 0 HG23 THR A 117 -1.159 13.161 8.569 1.00 73.03 H new ATOM 1696 N GLN A 118 3.619 12.540 10.341 1.00 62.25 N ATOM 1697 CA GLN A 118 4.759 11.847 10.929 1.00 31.33 C ATOM 1698 C GLN A 118 4.965 12.272 12.379 1.00 1.43 C ATOM 1699 O GLN A 118 5.143 13.454 12.671 1.00 54.45 O ATOM 1700 CB GLN A 118 6.026 12.125 10.119 1.00 60.43 C ATOM 1701 CG GLN A 118 7.248 11.373 10.623 1.00 53.33 C ATOM 1702 CD GLN A 118 7.314 9.951 10.103 1.00 73.13 C ATOM 1703 OE1 GLN A 118 6.771 9.029 10.712 1.00 34.02 O ATOM 1704 NE2 GLN A 118 7.981 9.765 8.970 1.00 61.31 N ATOM 0 H GLN A 118 3.860 13.387 9.826 1.00 62.25 H new ATOM 0 HA GLN A 118 4.551 10.777 10.909 1.00 31.33 H new ATOM 0 HB2 GLN A 118 5.848 11.856 9.078 1.00 60.43 H new ATOM 0 HB3 GLN A 118 6.234 13.195 10.141 1.00 60.43 H new ATOM 0 HG2 GLN A 118 8.149 11.908 10.322 1.00 53.33 H new ATOM 0 HG3 GLN A 118 7.236 11.357 11.713 1.00 53.33 H new ATOM 0 HE21 GLN A 118 8.416 10.558 8.498 1.00 61.31 H new ATOM 0 HE22 GLN A 118 8.058 8.829 8.572 1.00 61.31 H new ATOM 1713 N GLY A 119 4.940 11.300 13.286 1.00 70.12 N ATOM 1714 CA GLY A 119 5.125 11.594 14.695 1.00 50.42 C ATOM 1715 C GLY A 119 4.032 10.999 15.560 1.00 52.11 C ATOM 1716 O GLY A 119 4.312 10.322 16.549 1.00 4.01 O ATOM 0 H GLY A 119 4.795 10.314 13.070 1.00 70.12 H new ATOM 0 HA2 GLY A 119 6.091 11.208 15.020 1.00 50.42 H new ATOM 0 HA3 GLY A 119 5.149 12.674 14.837 1.00 50.42 H new ATOM 1720 N PHE A 120 2.781 11.253 15.188 1.00 23.13 N ATOM 1721 CA PHE A 120 1.642 10.739 15.939 1.00 14.42 C ATOM 1722 C PHE A 120 1.504 9.231 15.755 1.00 60.10 C ATOM 1723 O PHE A 120 1.776 8.700 14.679 1.00 60.14 O ATOM 1724 CB PHE A 120 0.355 11.438 15.495 1.00 12.23 C ATOM 1725 CG PHE A 120 0.489 12.930 15.388 1.00 3.31 C ATOM 1726 CD1 PHE A 120 1.052 13.664 16.420 1.00 43.22 C ATOM 1727 CD2 PHE A 120 0.053 13.599 14.256 1.00 63.13 C ATOM 1728 CE1 PHE A 120 1.176 15.037 16.324 1.00 44.31 C ATOM 1729 CE2 PHE A 120 0.175 14.972 14.154 1.00 62.01 C ATOM 1730 CZ PHE A 120 0.739 15.692 15.189 1.00 35.11 C ATOM 0 H PHE A 120 2.531 11.811 14.372 1.00 23.13 H new ATOM 0 HA PHE A 120 1.813 10.944 16.996 1.00 14.42 H new ATOM 0 HB2 PHE A 120 0.049 11.039 14.528 1.00 12.23 H new ATOM 0 HB3 PHE A 120 -0.440 11.203 16.203 1.00 12.23 H new ATOM 0 HD1 PHE A 120 1.398 13.157 17.309 1.00 43.22 H new ATOM 0 HD2 PHE A 120 -0.388 13.041 13.443 1.00 63.13 H new ATOM 0 HE1 PHE A 120 1.614 15.598 17.136 1.00 44.31 H new ATOM 0 HE2 PHE A 120 -0.170 15.481 13.266 1.00 62.01 H new ATOM 0 HZ PHE A 120 0.838 16.765 15.111 1.00 35.11 H new ATOM 1740 N GLN A 121 1.081 8.548 16.814 1.00 74.35 N ATOM 1741 CA GLN A 121 0.908 7.101 16.769 1.00 23.51 C ATOM 1742 C GLN A 121 -0.312 6.723 15.936 1.00 32.01 C ATOM 1743 O GLN A 121 -1.447 6.811 16.403 1.00 3.35 O ATOM 1744 CB GLN A 121 0.768 6.539 18.185 1.00 73.20 C ATOM 1745 CG GLN A 121 2.099 6.245 18.858 1.00 72.22 C ATOM 1746 CD GLN A 121 3.121 7.342 18.634 1.00 73.01 C ATOM 1747 OE1 GLN A 121 3.137 8.346 19.347 1.00 62.22 O ATOM 1748 NE2 GLN A 121 3.981 7.156 17.640 1.00 40.14 N ATOM 0 H GLN A 121 0.852 8.973 17.713 1.00 74.35 H new ATOM 0 HA GLN A 121 1.792 6.669 16.300 1.00 23.51 H new ATOM 0 HB2 GLN A 121 0.211 7.250 18.795 1.00 73.20 H new ATOM 0 HB3 GLN A 121 0.180 5.622 18.146 1.00 73.20 H new ATOM 0 HG2 GLN A 121 1.940 6.115 19.928 1.00 72.22 H new ATOM 0 HG3 GLN A 121 2.494 5.303 18.478 1.00 72.22 H new ATOM 0 HE21 GLN A 121 3.931 6.309 17.074 1.00 40.14 H new ATOM 0 HE22 GLN A 121 4.692 7.860 17.442 1.00 40.14 H new ATOM 1757 N GLY A 122 -0.071 6.302 14.698 1.00 24.12 N ATOM 1758 CA GLY A 122 -1.160 5.918 13.819 1.00 22.25 C ATOM 1759 C GLY A 122 -1.378 4.418 13.788 1.00 41.12 C ATOM 1760 O GLY A 122 -0.613 3.686 13.159 1.00 41.31 O ATOM 0 H GLY A 122 0.859 6.220 14.288 1.00 24.12 H new ATOM 0 HA2 GLY A 122 -2.077 6.409 14.146 1.00 22.25 H new ATOM 0 HA3 GLY A 122 -0.951 6.273 12.810 1.00 22.25 H new ATOM 1764 N ILE A 123 -2.423 3.959 14.469 1.00 45.32 N ATOM 1765 CA ILE A 123 -2.738 2.537 14.516 1.00 21.02 C ATOM 1766 C ILE A 123 -4.213 2.291 14.220 1.00 73.15 C ATOM 1767 O ILE A 123 -5.089 2.905 14.828 1.00 31.44 O ATOM 1768 CB ILE A 123 -2.394 1.929 15.889 1.00 44.51 C ATOM 1769 CG1 ILE A 123 -0.921 2.175 16.225 1.00 71.13 C ATOM 1770 CG2 ILE A 123 -2.704 0.440 15.902 1.00 53.21 C ATOM 1771 CD1 ILE A 123 -0.705 3.311 17.200 1.00 71.01 C ATOM 0 H ILE A 123 -3.065 4.551 14.995 1.00 45.32 H new ATOM 0 HA ILE A 123 -2.130 2.054 13.751 1.00 21.02 H new ATOM 0 HB ILE A 123 -3.007 2.414 16.649 1.00 44.51 H new ATOM 0 HG12 ILE A 123 -0.495 1.263 16.642 1.00 71.13 H new ATOM 0 HG13 ILE A 123 -0.378 2.389 15.305 1.00 71.13 H new ATOM 0 HG21 ILE A 123 -2.455 0.025 16.879 1.00 53.21 H new ATOM 0 HG22 ILE A 123 -3.765 0.287 15.702 1.00 53.21 H new ATOM 0 HG23 ILE A 123 -2.114 -0.061 15.134 1.00 53.21 H new ATOM 0 HD11 ILE A 123 0.362 3.428 17.392 1.00 71.01 H new ATOM 0 HD12 ILE A 123 -1.101 4.234 16.777 1.00 71.01 H new ATOM 0 HD13 ILE A 123 -1.220 3.091 18.135 1.00 71.01 H new ATOM 1783 N GLN A 124 -4.480 1.388 13.281 1.00 20.14 N ATOM 1784 CA GLN A 124 -5.850 1.060 12.905 1.00 21.21 C ATOM 1785 C GLN A 124 -6.452 0.045 13.871 1.00 23.24 C ATOM 1786 O GLN A 124 -5.819 -0.954 14.211 1.00 24.22 O ATOM 1787 CB GLN A 124 -5.892 0.510 11.478 1.00 5.12 C ATOM 1788 CG GLN A 124 -5.539 -0.966 11.384 1.00 11.33 C ATOM 1789 CD GLN A 124 -4.156 -1.271 11.924 1.00 44.24 C ATOM 1790 OE1 GLN A 124 -3.204 -0.527 11.681 1.00 34.43 O ATOM 1791 NE2 GLN A 124 -4.036 -2.369 12.660 1.00 20.30 N ATOM 0 H GLN A 124 -3.766 0.871 12.767 1.00 20.14 H new ATOM 0 HA GLN A 124 -6.441 1.974 12.952 1.00 21.21 H new ATOM 0 HB2 GLN A 124 -6.890 0.663 11.068 1.00 5.12 H new ATOM 0 HB3 GLN A 124 -5.201 1.080 10.857 1.00 5.12 H new ATOM 0 HG2 GLN A 124 -6.277 -1.548 11.936 1.00 11.33 H new ATOM 0 HG3 GLN A 124 -5.597 -1.284 10.343 1.00 11.33 H new ATOM 0 HE21 GLN A 124 -4.851 -2.956 12.836 1.00 20.30 H new ATOM 0 HE22 GLN A 124 -3.129 -2.625 13.049 1.00 20.30 H new ATOM 1800 N ALA A 125 -7.678 0.308 14.311 1.00 40.43 N ATOM 1801 CA ALA A 125 -8.366 -0.583 15.237 1.00 43.14 C ATOM 1802 C ALA A 125 -9.874 -0.547 15.015 1.00 11.33 C ATOM 1803 O ALA A 125 -10.482 0.522 14.994 1.00 12.54 O ATOM 1804 CB ALA A 125 -8.032 -0.211 16.674 1.00 51.53 C ATOM 0 H ALA A 125 -8.216 1.132 14.041 1.00 40.43 H new ATOM 0 HA ALA A 125 -8.022 -1.600 15.048 1.00 43.14 H new ATOM 0 HB1 ALA A 125 -8.553 -0.885 17.355 1.00 51.53 H new ATOM 0 HB2 ALA A 125 -6.957 -0.296 16.831 1.00 51.53 H new ATOM 0 HB3 ALA A 125 -8.347 0.815 16.867 1.00 51.53 H new ATOM 1810 N ASN A 126 -10.472 -1.722 14.850 1.00 64.31 N ATOM 1811 CA ASN A 126 -11.909 -1.824 14.629 1.00 75.44 C ATOM 1812 C ASN A 126 -12.611 -2.390 15.860 1.00 5.11 C ATOM 1813 O ASN A 126 -11.989 -3.050 16.693 1.00 44.41 O ATOM 1814 CB ASN A 126 -12.198 -2.708 13.413 1.00 10.21 C ATOM 1815 CG ASN A 126 -12.194 -4.185 13.758 1.00 54.43 C ATOM 1816 OD1 ASN A 126 -13.236 -4.765 14.063 1.00 55.23 O ATOM 1817 ND2 ASN A 126 -11.019 -4.800 13.711 1.00 64.03 N ATOM 0 H ASN A 126 -9.983 -2.617 14.865 1.00 64.31 H new ATOM 0 HA ASN A 126 -12.294 -0.822 14.442 1.00 75.44 H new ATOM 0 HB2 ASN A 126 -13.167 -2.438 12.993 1.00 10.21 H new ATOM 0 HB3 ASN A 126 -11.452 -2.516 12.642 1.00 10.21 H new ATOM 0 HD21 ASN A 126 -10.954 -5.793 13.933 1.00 64.03 H new ATOM 0 HD22 ASN A 126 -10.181 -4.279 13.453 1.00 64.03 H new ATOM 1824 N ASP A 127 -13.908 -2.127 15.968 1.00 73.22 N ATOM 1825 CA ASP A 127 -14.695 -2.611 17.096 1.00 31.03 C ATOM 1826 C ASP A 127 -14.201 -2.001 18.404 1.00 21.45 C ATOM 1827 O ASP A 127 -13.463 -1.017 18.402 1.00 42.20 O ATOM 1828 CB ASP A 127 -14.630 -4.137 17.174 1.00 72.12 C ATOM 1829 CG ASP A 127 -15.986 -4.762 17.439 1.00 0.53 C ATOM 1830 OD1 ASP A 127 -16.888 -4.041 17.915 1.00 41.44 O ATOM 1831 OD2 ASP A 127 -16.145 -5.971 17.173 1.00 61.44 O ATOM 0 H ASP A 127 -14.437 -1.581 15.288 1.00 73.22 H new ATOM 0 HA ASP A 127 -15.730 -2.307 16.942 1.00 31.03 H new ATOM 0 HB2 ASP A 127 -14.229 -4.529 16.239 1.00 72.12 H new ATOM 0 HB3 ASP A 127 -13.938 -4.428 17.964 1.00 72.12 H new ATOM 1836 N ALA A 128 -14.614 -2.593 19.520 1.00 32.14 N ATOM 1837 CA ALA A 128 -14.213 -2.109 20.835 1.00 21.05 C ATOM 1838 C ALA A 128 -12.697 -1.977 20.933 1.00 42.55 C ATOM 1839 O ALA A 128 -12.183 -1.171 21.708 1.00 10.25 O ATOM 1840 CB ALA A 128 -14.734 -3.038 21.922 1.00 70.44 C ATOM 0 H ALA A 128 -15.226 -3.409 19.539 1.00 32.14 H new ATOM 0 HA ALA A 128 -14.648 -1.120 20.978 1.00 21.05 H new ATOM 0 HB1 ALA A 128 -14.427 -2.664 22.899 1.00 70.44 H new ATOM 0 HB2 ALA A 128 -15.822 -3.079 21.875 1.00 70.44 H new ATOM 0 HB3 ALA A 128 -14.327 -4.038 21.772 1.00 70.44 H new ATOM 1846 N SER A 129 -11.986 -2.773 20.141 1.00 41.14 N ATOM 1847 CA SER A 129 -10.528 -2.747 20.141 1.00 61.50 C ATOM 1848 C SER A 129 -10.009 -1.365 19.759 1.00 44.30 C ATOM 1849 O SER A 129 -8.902 -0.979 20.135 1.00 74.04 O ATOM 1850 CB SER A 129 -9.978 -3.797 19.173 1.00 53.44 C ATOM 1851 OG SER A 129 -9.024 -4.629 19.810 1.00 53.43 O ATOM 0 H SER A 129 -12.396 -3.444 19.491 1.00 41.14 H new ATOM 0 HA SER A 129 -10.185 -2.978 21.150 1.00 61.50 H new ATOM 0 HB2 SER A 129 -10.796 -4.406 18.788 1.00 53.44 H new ATOM 0 HB3 SER A 129 -9.519 -3.302 18.317 1.00 53.44 H new ATOM 0 HG SER A 129 -8.689 -5.292 19.171 1.00 53.43 H new ATOM 1857 N GLY A 130 -10.817 -0.622 19.008 1.00 30.24 N ATOM 1858 CA GLY A 130 -10.423 0.709 18.587 1.00 0.41 C ATOM 1859 C GLY A 130 -11.177 1.798 19.325 1.00 22.21 C ATOM 1860 O GLY A 130 -11.232 2.942 18.872 1.00 21.01 O ATOM 0 H GLY A 130 -11.737 -0.919 18.684 1.00 30.24 H new ATOM 0 HA2 GLY A 130 -9.353 0.837 18.751 1.00 0.41 H new ATOM 0 HA3 GLY A 130 -10.596 0.814 17.516 1.00 0.41 H new ATOM 1864 N LEU A 131 -11.761 1.443 20.464 1.00 22.41 N ATOM 1865 CA LEU A 131 -12.517 2.398 21.266 1.00 34.44 C ATOM 1866 C LEU A 131 -12.183 2.250 22.747 1.00 12.04 C ATOM 1867 O LEU A 131 -12.977 2.618 23.613 1.00 55.31 O ATOM 1868 CB LEU A 131 -14.019 2.201 21.049 1.00 65.55 C ATOM 1869 CG LEU A 131 -14.497 2.240 19.597 1.00 61.13 C ATOM 1870 CD1 LEU A 131 -15.972 1.879 19.511 1.00 63.23 C ATOM 1871 CD2 LEU A 131 -14.246 3.612 18.990 1.00 43.55 C ATOM 0 H LEU A 131 -11.725 0.501 20.853 1.00 22.41 H new ATOM 0 HA LEU A 131 -12.239 3.403 20.948 1.00 34.44 H new ATOM 0 HB2 LEU A 131 -14.305 1.241 21.479 1.00 65.55 H new ATOM 0 HB3 LEU A 131 -14.551 2.972 21.607 1.00 65.55 H new ATOM 0 HG LEU A 131 -13.930 1.504 19.028 1.00 61.13 H new ATOM 0 HD11 LEU A 131 -16.295 1.912 18.470 1.00 63.23 H new ATOM 0 HD12 LEU A 131 -16.124 0.875 19.907 1.00 63.23 H new ATOM 0 HD13 LEU A 131 -16.556 2.591 20.094 1.00 63.23 H new ATOM 0 HD21 LEU A 131 -14.592 3.622 17.957 1.00 43.55 H new ATOM 0 HD22 LEU A 131 -14.787 4.367 19.561 1.00 43.55 H new ATOM 0 HD23 LEU A 131 -13.179 3.832 19.017 1.00 43.55 H new ATOM 1883 N ASP A 132 -11.003 1.711 23.031 1.00 4.21 N ATOM 1884 CA ASP A 132 -10.561 1.518 24.408 1.00 73.04 C ATOM 1885 C ASP A 132 -9.636 2.649 24.845 1.00 10.04 C ATOM 1886 O ASP A 132 -8.482 2.721 24.421 1.00 35.11 O ATOM 1887 CB ASP A 132 -9.847 0.173 24.553 1.00 54.22 C ATOM 1888 CG ASP A 132 -10.816 -0.984 24.700 1.00 11.41 C ATOM 1889 OD1 ASP A 132 -12.039 -0.734 24.718 1.00 14.11 O ATOM 1890 OD2 ASP A 132 -10.351 -2.139 24.798 1.00 10.34 O ATOM 0 H ASP A 132 -10.335 1.400 22.326 1.00 4.21 H new ATOM 0 HA ASP A 132 -11.441 1.524 25.051 1.00 73.04 H new ATOM 0 HB2 ASP A 132 -9.214 0.005 23.681 1.00 54.22 H new ATOM 0 HB3 ASP A 132 -9.190 0.206 25.422 1.00 54.22 H new ATOM 1895 N PHE A 133 -10.150 3.531 25.696 1.00 41.40 N ATOM 1896 CA PHE A 133 -9.371 4.661 26.190 1.00 64.41 C ATOM 1897 C PHE A 133 -8.033 4.192 26.756 1.00 50.44 C ATOM 1898 O PHE A 133 -7.010 4.855 26.586 1.00 71.00 O ATOM 1899 CB PHE A 133 -10.154 5.418 27.264 1.00 74.31 C ATOM 1900 CG PHE A 133 -10.491 4.579 28.464 1.00 62.04 C ATOM 1901 CD1 PHE A 133 -11.626 3.784 28.474 1.00 43.23 C ATOM 1902 CD2 PHE A 133 -9.672 4.586 29.582 1.00 73.24 C ATOM 1903 CE1 PHE A 133 -11.938 3.011 29.576 1.00 70.11 C ATOM 1904 CE2 PHE A 133 -9.979 3.814 30.686 1.00 13.35 C ATOM 1905 CZ PHE A 133 -11.114 3.027 30.684 1.00 31.12 C ATOM 0 H PHE A 133 -11.103 3.485 26.058 1.00 41.40 H new ATOM 0 HA PHE A 133 -9.178 5.331 25.352 1.00 64.41 H new ATOM 0 HB2 PHE A 133 -9.572 6.281 27.586 1.00 74.31 H new ATOM 0 HB3 PHE A 133 -11.077 5.801 26.828 1.00 74.31 H new ATOM 0 HD1 PHE A 133 -12.274 3.768 27.610 1.00 43.23 H new ATOM 0 HD2 PHE A 133 -8.784 5.201 29.590 1.00 73.24 H new ATOM 0 HE1 PHE A 133 -12.825 2.395 29.571 1.00 70.11 H new ATOM 0 HE2 PHE A 133 -9.332 3.826 31.550 1.00 13.35 H new ATOM 0 HZ PHE A 133 -11.357 2.425 31.547 1.00 31.12 H new ATOM 1915 N GLU A 134 -8.051 3.046 27.429 1.00 44.21 N ATOM 1916 CA GLU A 134 -6.840 2.490 28.021 1.00 44.21 C ATOM 1917 C GLU A 134 -5.763 2.279 26.960 1.00 31.42 C ATOM 1918 O GLU A 134 -4.572 2.426 27.233 1.00 72.23 O ATOM 1919 CB GLU A 134 -7.149 1.165 28.720 1.00 13.04 C ATOM 1920 CG GLU A 134 -7.139 1.260 30.237 1.00 43.22 C ATOM 1921 CD GLU A 134 -7.867 0.106 30.899 1.00 43.52 C ATOM 1922 OE1 GLU A 134 -7.288 -0.998 30.967 1.00 73.30 O ATOM 1923 OE2 GLU A 134 -9.014 0.308 31.348 1.00 31.13 O ATOM 0 H GLU A 134 -8.890 2.485 27.578 1.00 44.21 H new ATOM 0 HA GLU A 134 -6.466 3.202 28.757 1.00 44.21 H new ATOM 0 HB2 GLU A 134 -8.127 0.811 28.393 1.00 13.04 H new ATOM 0 HB3 GLU A 134 -6.418 0.419 28.406 1.00 13.04 H new ATOM 0 HG2 GLU A 134 -6.108 1.284 30.589 1.00 43.22 H new ATOM 0 HG3 GLU A 134 -7.601 2.199 30.542 1.00 43.22 H new ATOM 1930 N GLU A 135 -6.192 1.932 25.751 1.00 73.03 N ATOM 1931 CA GLU A 135 -5.265 1.699 24.650 1.00 71.33 C ATOM 1932 C GLU A 135 -4.592 2.999 24.220 1.00 10.25 C ATOM 1933 O GLU A 135 -3.389 3.031 23.961 1.00 4.33 O ATOM 1934 CB GLU A 135 -5.998 1.074 23.460 1.00 3.14 C ATOM 1935 CG GLU A 135 -5.136 0.123 22.646 1.00 15.04 C ATOM 1936 CD GLU A 135 -5.959 -0.852 21.827 1.00 61.31 C ATOM 1937 OE1 GLU A 135 -6.311 -0.512 20.678 1.00 42.50 O ATOM 1938 OE2 GLU A 135 -6.251 -1.955 22.334 1.00 61.42 O ATOM 0 H GLU A 135 -7.175 1.806 25.509 1.00 73.03 H new ATOM 0 HA GLU A 135 -4.496 1.009 24.997 1.00 71.33 H new ATOM 0 HB2 GLU A 135 -6.873 0.536 23.825 1.00 3.14 H new ATOM 0 HB3 GLU A 135 -6.361 1.869 22.809 1.00 3.14 H new ATOM 0 HG2 GLU A 135 -4.494 0.700 21.980 1.00 15.04 H new ATOM 0 HG3 GLU A 135 -4.482 -0.433 23.317 1.00 15.04 H new ATOM 1945 N ILE A 136 -5.377 4.069 24.147 1.00 32.32 N ATOM 1946 CA ILE A 136 -4.858 5.371 23.750 1.00 3.41 C ATOM 1947 C ILE A 136 -3.861 5.901 24.775 1.00 3.30 C ATOM 1948 O ILE A 136 -2.777 6.364 24.420 1.00 25.31 O ATOM 1949 CB ILE A 136 -5.991 6.399 23.574 1.00 42.43 C ATOM 1950 CG1 ILE A 136 -6.977 5.925 22.504 1.00 12.34 C ATOM 1951 CG2 ILE A 136 -5.419 7.761 23.208 1.00 64.20 C ATOM 1952 CD1 ILE A 136 -6.362 5.798 21.129 1.00 64.34 C ATOM 0 H ILE A 136 -6.375 4.059 24.358 1.00 32.32 H new ATOM 0 HA ILE A 136 -4.353 5.231 22.794 1.00 3.41 H new ATOM 0 HB ILE A 136 -6.526 6.493 24.519 1.00 42.43 H new ATOM 0 HG12 ILE A 136 -7.386 4.959 22.801 1.00 12.34 H new ATOM 0 HG13 ILE A 136 -7.812 6.624 22.456 1.00 12.34 H new ATOM 0 HG21 ILE A 136 -6.232 8.477 23.087 1.00 64.20 H new ATOM 0 HG22 ILE A 136 -4.752 8.100 24.000 1.00 64.20 H new ATOM 0 HG23 ILE A 136 -4.863 7.683 22.274 1.00 64.20 H new ATOM 0 HD11 ILE A 136 -7.119 5.458 20.422 1.00 64.34 H new ATOM 0 HD12 ILE A 136 -5.978 6.767 20.811 1.00 64.34 H new ATOM 0 HD13 ILE A 136 -5.545 5.077 21.161 1.00 64.34 H new ATOM 1964 N SER A 137 -4.235 5.829 26.049 1.00 44.05 N ATOM 1965 CA SER A 137 -3.374 6.303 27.126 1.00 51.30 C ATOM 1966 C SER A 137 -2.093 5.478 27.201 1.00 10.23 C ATOM 1967 O SER A 137 -1.015 6.008 27.471 1.00 12.30 O ATOM 1968 CB SER A 137 -4.114 6.240 28.463 1.00 11.35 C ATOM 1969 OG SER A 137 -4.779 7.462 28.737 1.00 63.33 O ATOM 0 H SER A 137 -5.128 5.447 26.360 1.00 44.05 H new ATOM 0 HA SER A 137 -3.106 7.338 26.915 1.00 51.30 H new ATOM 0 HB2 SER A 137 -4.838 5.425 28.443 1.00 11.35 H new ATOM 0 HB3 SER A 137 -3.407 6.020 29.263 1.00 11.35 H new ATOM 0 HG SER A 137 -5.246 7.395 29.596 1.00 63.33 H new ATOM 1975 N ARG A 138 -2.220 4.177 26.961 1.00 43.22 N ATOM 1976 CA ARG A 138 -1.073 3.277 27.002 1.00 13.54 C ATOM 1977 C ARG A 138 -0.129 3.546 25.834 1.00 32.50 C ATOM 1978 O ARG A 138 1.089 3.423 25.965 1.00 71.11 O ATOM 1979 CB ARG A 138 -1.540 1.821 26.971 1.00 21.11 C ATOM 1980 CG ARG A 138 -0.400 0.816 26.983 1.00 23.20 C ATOM 1981 CD ARG A 138 -0.108 0.288 25.587 1.00 21.11 C ATOM 1982 NE ARG A 138 -0.820 -0.957 25.313 1.00 60.41 N ATOM 1983 CZ ARG A 138 -0.729 -1.618 24.164 1.00 31.32 C ATOM 1984 NH1 ARG A 138 0.040 -1.155 23.188 1.00 32.53 N ATOM 1985 NH2 ARG A 138 -1.408 -2.745 23.990 1.00 21.12 N ATOM 0 H ARG A 138 -3.105 3.723 26.736 1.00 43.22 H new ATOM 0 HA ARG A 138 -0.533 3.458 27.931 1.00 13.54 H new ATOM 0 HB2 ARG A 138 -2.185 1.637 27.830 1.00 21.11 H new ATOM 0 HB3 ARG A 138 -2.145 1.661 26.078 1.00 21.11 H new ATOM 0 HG2 ARG A 138 0.496 1.285 27.390 1.00 23.20 H new ATOM 0 HG3 ARG A 138 -0.653 -0.015 27.642 1.00 23.20 H new ATOM 0 HD2 ARG A 138 -0.392 1.038 24.849 1.00 21.11 H new ATOM 0 HD3 ARG A 138 0.964 0.124 25.478 1.00 21.11 H new ATOM 0 HE ARG A 138 -1.420 -1.340 26.044 1.00 60.41 H new ATOM 0 HH11 ARG A 138 0.564 -0.289 23.318 1.00 32.53 H new ATOM 0 HH12 ARG A 138 0.108 -1.665 22.307 1.00 32.53 H new ATOM 0 HH21 ARG A 138 -2.000 -3.104 24.739 1.00 21.12 H new ATOM 0 HH22 ARG A 138 -1.338 -3.252 23.108 1.00 21.12 H new ATOM 1999 N LYS A 139 -0.700 3.912 24.691 1.00 24.42 N ATOM 2000 CA LYS A 139 0.089 4.198 23.499 1.00 45.10 C ATOM 2001 C LYS A 139 0.886 5.487 23.671 1.00 43.43 C ATOM 2002 O LYS A 139 2.087 5.527 23.402 1.00 1.33 O ATOM 2003 CB LYS A 139 -0.821 4.308 22.274 1.00 51.11 C ATOM 2004 CG LYS A 139 -1.366 2.972 21.799 1.00 43.10 C ATOM 2005 CD LYS A 139 -0.895 2.647 20.391 1.00 31.33 C ATOM 2006 CE LYS A 139 -0.950 1.152 20.117 1.00 62.31 C ATOM 2007 NZ LYS A 139 0.406 0.537 20.123 1.00 24.43 N ATOM 0 H LYS A 139 -1.707 4.017 24.565 1.00 24.42 H new ATOM 0 HA LYS A 139 0.789 3.376 23.351 1.00 45.10 H new ATOM 0 HB2 LYS A 139 -1.656 4.968 22.510 1.00 51.11 H new ATOM 0 HB3 LYS A 139 -0.266 4.774 21.460 1.00 51.11 H new ATOM 0 HG2 LYS A 139 -1.047 2.184 22.481 1.00 43.10 H new ATOM 0 HG3 LYS A 139 -2.456 2.993 21.824 1.00 43.10 H new ATOM 0 HD2 LYS A 139 -1.517 3.174 19.667 1.00 31.33 H new ATOM 0 HD3 LYS A 139 0.125 3.006 20.255 1.00 31.33 H new ATOM 0 HE2 LYS A 139 -1.572 0.667 20.870 1.00 62.31 H new ATOM 0 HE3 LYS A 139 -1.424 0.977 19.151 1.00 62.31 H new ATOM 0 HZ1 LYS A 139 0.326 -0.482 19.933 1.00 24.43 H new ATOM 0 HZ2 LYS A 139 0.992 0.982 19.388 1.00 24.43 H new ATOM 0 HZ3 LYS A 139 0.849 0.682 21.053 1.00 24.43 H new ATOM 2021 N VAL A 140 0.211 6.540 24.121 1.00 74.11 N ATOM 2022 CA VAL A 140 0.856 7.830 24.331 1.00 3.11 C ATOM 2023 C VAL A 140 1.928 7.739 25.412 1.00 73.13 C ATOM 2024 O VAL A 140 3.002 8.327 25.288 1.00 63.01 O ATOM 2025 CB VAL A 140 -0.166 8.912 24.727 1.00 33.44 C ATOM 2026 CG1 VAL A 140 -0.949 8.481 25.959 1.00 44.31 C ATOM 2027 CG2 VAL A 140 0.532 10.242 24.967 1.00 74.12 C ATOM 0 H VAL A 140 -0.783 6.524 24.347 1.00 74.11 H new ATOM 0 HA VAL A 140 1.320 8.109 23.385 1.00 3.11 H new ATOM 0 HB VAL A 140 -0.870 9.041 23.905 1.00 33.44 H new ATOM 0 HG11 VAL A 140 -1.666 9.258 26.224 1.00 44.31 H new ATOM 0 HG12 VAL A 140 -1.481 7.553 25.746 1.00 44.31 H new ATOM 0 HG13 VAL A 140 -0.262 8.323 26.790 1.00 44.31 H new ATOM 0 HG21 VAL A 140 -0.205 10.995 25.246 1.00 74.12 H new ATOM 0 HG22 VAL A 140 1.259 10.131 25.771 1.00 74.12 H new ATOM 0 HG23 VAL A 140 1.043 10.554 24.056 1.00 74.12 H new ATOM 2037 N LYS A 141 1.628 6.997 26.473 1.00 65.14 N ATOM 2038 CA LYS A 141 2.566 6.826 27.576 1.00 31.22 C ATOM 2039 C LYS A 141 3.664 5.834 27.208 1.00 24.41 C ATOM 2040 O LYS A 141 4.746 5.845 27.795 1.00 45.22 O ATOM 2041 CB LYS A 141 1.829 6.345 28.829 1.00 50.55 C ATOM 2042 CG LYS A 141 1.559 4.851 28.840 1.00 61.22 C ATOM 2043 CD LYS A 141 0.659 4.455 29.998 1.00 12.42 C ATOM 2044 CE LYS A 141 0.941 3.035 30.464 1.00 3.31 C ATOM 2045 NZ LYS A 141 1.558 3.009 31.819 1.00 23.42 N ATOM 0 H LYS A 141 0.743 6.505 26.592 1.00 65.14 H new ATOM 0 HA LYS A 141 3.027 7.792 27.781 1.00 31.22 H new ATOM 0 HB2 LYS A 141 2.417 6.606 29.709 1.00 50.55 H new ATOM 0 HB3 LYS A 141 0.881 6.878 28.910 1.00 50.55 H new ATOM 0 HG2 LYS A 141 1.093 4.558 27.899 1.00 61.22 H new ATOM 0 HG3 LYS A 141 2.503 4.310 28.910 1.00 61.22 H new ATOM 0 HD2 LYS A 141 0.806 5.147 30.827 1.00 12.42 H new ATOM 0 HD3 LYS A 141 -0.384 4.539 29.694 1.00 12.42 H new ATOM 0 HE2 LYS A 141 0.012 2.466 30.477 1.00 3.31 H new ATOM 0 HE3 LYS A 141 1.605 2.544 29.753 1.00 3.31 H new ATOM 0 HZ1 LYS A 141 1.735 2.024 32.101 1.00 23.42 H new ATOM 0 HZ2 LYS A 141 2.457 3.531 31.801 1.00 23.42 H new ATOM 0 HZ3 LYS A 141 0.913 3.454 32.503 1.00 23.42 H new ATOM 2059 N SER A 142 3.379 4.977 26.232 1.00 5.32 N ATOM 2060 CA SER A 142 4.343 3.977 25.788 1.00 52.05 C ATOM 2061 C SER A 142 5.560 4.641 25.151 1.00 63.40 C ATOM 2062 O SER A 142 6.676 4.129 25.238 1.00 12.42 O ATOM 2063 CB SER A 142 3.690 3.018 24.790 1.00 45.13 C ATOM 2064 OG SER A 142 3.171 1.875 25.446 1.00 33.12 O ATOM 0 H SER A 142 2.489 4.955 25.734 1.00 5.32 H new ATOM 0 HA SER A 142 4.674 3.413 26.660 1.00 52.05 H new ATOM 0 HB2 SER A 142 2.889 3.531 24.259 1.00 45.13 H new ATOM 0 HB3 SER A 142 4.422 2.711 24.043 1.00 45.13 H new ATOM 0 HG SER A 142 2.283 2.080 25.807 1.00 33.12 H new ATOM 2070 N ASN A 143 5.336 5.783 24.510 1.00 1.33 N ATOM 2071 CA ASN A 143 6.414 6.518 23.858 1.00 70.21 C ATOM 2072 C ASN A 143 7.159 5.626 22.869 1.00 0.40 C ATOM 2073 O ASN A 143 8.366 5.771 22.675 1.00 40.13 O ATOM 2074 CB ASN A 143 7.389 7.068 24.901 1.00 31.50 C ATOM 2075 CG ASN A 143 6.850 8.299 25.604 1.00 61.50 C ATOM 2076 OD1 ASN A 143 5.915 8.213 26.400 1.00 22.13 O ATOM 2077 ND2 ASN A 143 7.439 9.452 25.311 1.00 2.13 N ATOM 0 H ASN A 143 4.418 6.220 24.428 1.00 1.33 H new ATOM 0 HA ASN A 143 5.973 7.350 23.309 1.00 70.21 H new ATOM 0 HB2 ASN A 143 7.601 6.295 25.639 1.00 31.50 H new ATOM 0 HB3 ASN A 143 8.334 7.314 24.417 1.00 31.50 H new ATOM 0 HD21 ASN A 143 7.120 10.314 25.752 1.00 2.13 H new ATOM 0 HD22 ASN A 143 8.211 9.475 24.645 1.00 2.13 H new ATOM 2084 N ARG A 144 6.431 4.705 22.247 1.00 40.04 N ATOM 2085 CA ARG A 144 7.023 3.790 21.278 1.00 33.43 C ATOM 2086 C ARG A 144 8.081 2.911 21.938 1.00 64.43 C ATOM 2087 O ARG A 144 7.989 1.683 21.909 1.00 14.33 O ATOM 2088 CB ARG A 144 7.643 4.571 20.119 1.00 42.21 C ATOM 2089 CG ARG A 144 7.602 3.829 18.793 1.00 0.11 C ATOM 2090 CD ARG A 144 9.000 3.589 18.245 1.00 1.41 C ATOM 2091 NE ARG A 144 9.627 2.412 18.840 1.00 10.34 N ATOM 2092 CZ ARG A 144 10.836 1.975 18.506 1.00 72.14 C ATOM 2093 NH1 ARG A 144 11.544 2.614 17.585 1.00 3.22 N ATOM 2094 NH2 ARG A 144 11.338 0.896 19.092 1.00 3.03 N ATOM 0 H ARG A 144 5.431 4.572 22.396 1.00 40.04 H new ATOM 0 HA ARG A 144 6.232 3.148 20.891 1.00 33.43 H new ATOM 0 HB2 ARG A 144 7.119 5.521 20.011 1.00 42.21 H new ATOM 0 HB3 ARG A 144 8.679 4.805 20.363 1.00 42.21 H new ATOM 0 HG2 ARG A 144 7.093 2.874 18.925 1.00 0.11 H new ATOM 0 HG3 ARG A 144 7.021 4.403 18.071 1.00 0.11 H new ATOM 0 HD2 ARG A 144 8.949 3.465 17.163 1.00 1.41 H new ATOM 0 HD3 ARG A 144 9.620 4.465 18.436 1.00 1.41 H new ATOM 0 HE ARG A 144 9.108 1.897 19.551 1.00 10.34 H new ATOM 0 HH11 ARG A 144 11.160 3.443 17.131 1.00 3.22 H new ATOM 0 HH12 ARG A 144 12.472 2.276 17.330 1.00 3.22 H new ATOM 0 HH21 ARG A 144 10.795 0.401 19.800 1.00 3.03 H new ATOM 0 HH22 ARG A 144 12.267 0.561 18.835 1.00 3.03 H new