USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 989 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.3!) USER MOD Single : A 4 GLN : amide:sc=-0.00144 X(o=-0.0014,f=-0.22) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= 0.105 X(o=0.1,f=-0.024) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 162:sc= 0.491 (180deg=0.226) USER MOD Single : A 15 GLN : amide:sc= -0.509 K(o=-0.51,f=-1.6) USER MOD Single : A 23 ASN : amide:sc= -0.318 K(o=-0.32,f=-2.7!) USER MOD Single : A 26 ASN : amide:sc= -0.549 X(o=-0.55,f=-1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.232 X(o=-0.23,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.466 K(o=-0.47,f=-1.2) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -125:sc= 0.865 (180deg=-0.0216) USER MOD Single : A 50 TYR OH : rot 9:sc= 1.25 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0282 USER MOD Single : A 60 LYS NZ :NH3+ 152:sc= 1.35 (180deg=0.952) USER MOD Single : A 61 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00291) USER MOD Single : A 62 SER OG : rot 150:sc= 0 USER MOD Single : A 68 SER OG : rot 143:sc= 0.5 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 98:sc= 1.23 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -45:sc= -0.149 USER MOD Single : A 80 GLN : amide:sc= -0.162 K(o=-0.16,f=-4.5!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0.402 X(o=0.4,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0726 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.0476 X(o=-0.048,f=-0.18) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 113 TYR OH : rot 3:sc= -0.294 USER MOD Single : A 115 ASN : amide:sc=-0.00822 K(o=-0.0082,f=-2.1!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 111:sc= 1.29 USER MOD Single : A 119 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.6) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.499 -6.424 18.233 1.00 33.14 N ATOM 2 CA GLY A 1 21.699 -4.977 18.169 1.00 54.03 C ATOM 3 C GLY A 1 22.862 -4.674 17.255 1.00 21.32 C ATOM 4 O GLY A 1 23.993 -5.062 17.559 1.00 55.51 O ATOM 0 H1 GLY A 1 20.698 -6.636 18.862 1.00 33.14 H new ATOM 0 H2 GLY A 1 21.297 -6.789 17.280 1.00 33.14 H new ATOM 0 H3 GLY A 1 22.359 -6.877 18.602 1.00 33.14 H new ATOM 0 HA2 GLY A 1 20.796 -4.489 17.801 1.00 54.03 H new ATOM 0 HA3 GLY A 1 21.892 -4.581 19.166 1.00 54.03 H new ATOM 8 N SER A 2 22.579 -4.022 16.132 1.00 74.43 N ATOM 9 CA SER A 2 23.503 -3.603 15.092 1.00 4.23 C ATOM 10 C SER A 2 22.653 -2.763 14.144 1.00 2.11 C ATOM 11 O SER A 2 21.633 -3.249 13.644 1.00 25.45 O ATOM 12 CB SER A 2 24.160 -4.800 14.390 1.00 73.53 C ATOM 13 OG SER A 2 23.257 -5.869 14.173 1.00 74.43 O ATOM 0 H SER A 2 21.620 -3.753 15.911 1.00 74.43 H new ATOM 0 HA SER A 2 24.343 -3.035 15.491 1.00 4.23 H new ATOM 0 HB2 SER A 2 24.569 -4.475 13.433 1.00 73.53 H new ATOM 0 HB3 SER A 2 24.998 -5.154 14.991 1.00 73.53 H new ATOM 0 HG SER A 2 23.723 -6.604 13.723 1.00 74.43 H new ATOM 19 N ASN A 3 22.996 -1.484 13.978 1.00 41.42 N ATOM 20 CA ASN A 3 22.239 -0.602 13.099 1.00 64.33 C ATOM 21 C ASN A 3 22.736 -0.800 11.678 1.00 22.12 C ATOM 22 O ASN A 3 23.707 -0.175 11.251 1.00 62.43 O ATOM 23 CB ASN A 3 22.273 0.862 13.567 1.00 2.45 C ATOM 24 CG ASN A 3 21.268 1.108 14.689 1.00 24.20 C ATOM 25 OD1 ASN A 3 20.176 0.540 14.697 1.00 0.23 O ATOM 26 ND2 ASN A 3 21.610 1.909 15.677 1.00 21.14 N ATOM 0 H ASN A 3 23.790 -1.041 14.440 1.00 41.42 H new ATOM 0 HA ASN A 3 21.182 -0.866 13.133 1.00 64.33 H new ATOM 0 HB2 ASN A 3 23.276 1.113 13.913 1.00 2.45 H new ATOM 0 HB3 ASN A 3 22.052 1.520 12.727 1.00 2.45 H new ATOM 0 HD21 ASN A 3 20.968 2.062 16.455 1.00 21.14 H new ATOM 0 HD22 ASN A 3 22.516 2.377 15.664 1.00 21.14 H new ATOM 33 N GLN A 4 22.098 -1.729 10.977 1.00 64.41 N ATOM 34 CA GLN A 4 22.361 -2.117 9.606 1.00 20.24 C ATOM 35 C GLN A 4 21.034 -2.518 8.968 1.00 42.32 C ATOM 36 O GLN A 4 20.008 -2.653 9.638 1.00 0.24 O ATOM 37 CB GLN A 4 23.313 -3.337 9.592 1.00 2.04 C ATOM 38 CG GLN A 4 24.804 -2.978 9.690 1.00 71.24 C ATOM 39 CD GLN A 4 25.517 -3.652 10.860 1.00 70.13 C ATOM 40 OE1 GLN A 4 25.443 -4.868 11.042 1.00 64.04 O ATOM 41 NE2 GLN A 4 26.240 -2.898 11.666 1.00 50.12 N ATOM 0 H GLN A 4 21.331 -2.265 11.384 1.00 64.41 H new ATOM 0 HA GLN A 4 22.820 -1.293 9.060 1.00 20.24 H new ATOM 0 HB2 GLN A 4 23.054 -3.994 10.422 1.00 2.04 H new ATOM 0 HB3 GLN A 4 23.147 -3.902 8.675 1.00 2.04 H new ATOM 0 HG2 GLN A 4 25.299 -3.261 8.761 1.00 71.24 H new ATOM 0 HG3 GLN A 4 24.904 -1.897 9.788 1.00 71.24 H new ATOM 0 HE21 GLN A 4 26.296 -1.892 11.509 1.00 50.12 H new ATOM 0 HE22 GLN A 4 26.742 -3.321 12.446 1.00 50.12 H new ATOM 50 N GLN A 5 21.093 -2.715 7.654 1.00 32.03 N ATOM 51 CA GLN A 5 19.992 -3.153 6.815 1.00 44.24 C ATOM 52 C GLN A 5 19.515 -4.505 7.360 1.00 74.11 C ATOM 53 O GLN A 5 20.321 -5.267 7.906 1.00 42.25 O ATOM 54 CB GLN A 5 20.523 -3.298 5.375 1.00 22.41 C ATOM 55 CG GLN A 5 21.838 -4.110 5.296 1.00 33.31 C ATOM 56 CD GLN A 5 22.297 -4.400 3.880 1.00 50.31 C ATOM 57 OE1 GLN A 5 23.238 -3.774 3.411 1.00 43.43 O ATOM 58 NE2 GLN A 5 21.670 -5.347 3.198 1.00 51.01 N ATOM 0 H GLN A 5 21.952 -2.565 7.125 1.00 32.03 H new ATOM 0 HA GLN A 5 19.162 -2.447 6.816 1.00 44.24 H new ATOM 0 HB2 GLN A 5 19.765 -3.784 4.761 1.00 22.41 H new ATOM 0 HB3 GLN A 5 20.688 -2.307 4.953 1.00 22.41 H new ATOM 0 HG2 GLN A 5 22.623 -3.563 5.817 1.00 33.31 H new ATOM 0 HG3 GLN A 5 21.703 -5.054 5.824 1.00 33.31 H new ATOM 0 HE21 GLN A 5 20.889 -5.848 3.621 1.00 51.01 H new ATOM 0 HE22 GLN A 5 21.968 -5.575 2.250 1.00 51.01 H new ATOM 67 N LEU A 6 18.255 -4.883 7.144 1.00 42.03 N ATOM 68 CA LEU A 6 17.727 -6.149 7.643 1.00 31.21 C ATOM 69 C LEU A 6 16.522 -6.581 6.808 1.00 73.41 C ATOM 70 O LEU A 6 15.372 -6.424 7.224 1.00 25.43 O ATOM 71 CB LEU A 6 17.436 -6.002 9.160 1.00 4.42 C ATOM 72 CG LEU A 6 18.253 -7.000 9.995 1.00 31.20 C ATOM 73 CD1 LEU A 6 18.368 -6.520 11.441 1.00 23.04 C ATOM 74 CD2 LEU A 6 17.609 -8.387 9.949 1.00 21.13 C ATOM 0 H LEU A 6 17.579 -4.325 6.623 1.00 42.03 H new ATOM 0 HA LEU A 6 18.455 -6.954 7.537 1.00 31.21 H new ATOM 0 HB2 LEU A 6 17.668 -4.986 9.478 1.00 4.42 H new ATOM 0 HB3 LEU A 6 16.373 -6.159 9.343 1.00 4.42 H new ATOM 0 HG LEU A 6 19.254 -7.065 9.569 1.00 31.20 H new ATOM 0 HD11 LEU A 6 18.950 -7.239 12.018 1.00 23.04 H new ATOM 0 HD12 LEU A 6 18.864 -5.550 11.464 1.00 23.04 H new ATOM 0 HD13 LEU A 6 17.372 -6.428 11.874 1.00 23.04 H new ATOM 0 HD21 LEU A 6 18.200 -9.082 10.545 1.00 21.13 H new ATOM 0 HD22 LEU A 6 16.598 -8.332 10.352 1.00 21.13 H new ATOM 0 HD23 LEU A 6 17.570 -8.736 8.917 1.00 21.13 H new ATOM 86 N ASN A 7 16.765 -7.097 5.596 1.00 41.20 N ATOM 87 CA ASN A 7 15.677 -7.550 4.728 1.00 3.31 C ATOM 88 C ASN A 7 14.992 -8.770 5.347 1.00 65.20 C ATOM 89 O ASN A 7 15.600 -9.535 6.111 1.00 41.42 O ATOM 90 CB ASN A 7 16.157 -7.854 3.297 1.00 2.13 C ATOM 91 CG ASN A 7 17.071 -9.069 3.183 1.00 64.24 C ATOM 92 OD1 ASN A 7 18.276 -8.922 3.010 1.00 71.11 O ATOM 93 ND2 ASN A 7 16.568 -10.289 3.253 1.00 72.11 N ATOM 0 H ASN A 7 17.698 -7.209 5.199 1.00 41.20 H new ATOM 0 HA ASN A 7 14.956 -6.736 4.647 1.00 3.31 H new ATOM 0 HB2 ASN A 7 15.286 -8.009 2.660 1.00 2.13 H new ATOM 0 HB3 ASN A 7 16.683 -6.981 2.910 1.00 2.13 H new ATOM 0 HD21 ASN A 7 17.181 -11.099 3.163 1.00 72.11 H new ATOM 0 HD22 ASN A 7 15.567 -10.420 3.397 1.00 72.11 H new ATOM 100 N ALA A 8 13.739 -8.997 4.956 1.00 75.12 N ATOM 101 CA ALA A 8 12.945 -10.105 5.457 1.00 0.12 C ATOM 102 C ALA A 8 13.516 -11.433 4.968 1.00 72.14 C ATOM 103 O ALA A 8 13.946 -11.511 3.817 1.00 51.45 O ATOM 104 CB ALA A 8 11.511 -9.959 4.949 1.00 72.41 C ATOM 0 H ALA A 8 13.249 -8.412 4.280 1.00 75.12 H new ATOM 0 HA ALA A 8 12.964 -10.092 6.547 1.00 0.12 H new ATOM 0 HB1 ALA A 8 10.907 -10.787 5.320 1.00 72.41 H new ATOM 0 HB2 ALA A 8 11.093 -9.017 5.305 1.00 72.41 H new ATOM 0 HB3 ALA A 8 11.508 -9.968 3.859 1.00 72.41 H new ATOM 110 N THR A 9 13.509 -12.464 5.810 1.00 50.25 N ATOM 111 CA THR A 9 14.005 -13.800 5.470 1.00 41.42 C ATOM 112 C THR A 9 12.857 -14.689 4.969 1.00 53.02 C ATOM 113 O THR A 9 13.079 -15.637 4.210 1.00 62.13 O ATOM 114 CB THR A 9 14.715 -14.425 6.686 1.00 35.13 C ATOM 115 OG1 THR A 9 14.144 -14.016 7.920 1.00 5.35 O ATOM 116 CG2 THR A 9 16.176 -14.013 6.761 1.00 64.11 C ATOM 0 H THR A 9 13.153 -12.396 6.764 1.00 50.25 H new ATOM 0 HA THR A 9 14.732 -13.716 4.662 1.00 41.42 H new ATOM 0 HB THR A 9 14.606 -15.500 6.542 1.00 35.13 H new ATOM 0 HG1 THR A 9 14.627 -14.440 8.660 1.00 5.35 H new ATOM 0 HG21 THR A 9 16.640 -14.475 7.632 1.00 64.11 H new ATOM 0 HG22 THR A 9 16.693 -14.340 5.859 1.00 64.11 H new ATOM 0 HG23 THR A 9 16.244 -12.928 6.846 1.00 64.11 H new ATOM 124 N LYS A 10 11.626 -14.400 5.395 1.00 54.54 N ATOM 125 CA LYS A 10 10.390 -15.094 5.034 1.00 35.21 C ATOM 126 C LYS A 10 9.360 -14.040 4.625 1.00 73.52 C ATOM 127 O LYS A 10 9.697 -12.857 4.571 1.00 0.01 O ATOM 128 CB LYS A 10 9.901 -16.005 6.182 1.00 21.32 C ATOM 129 CG LYS A 10 9.450 -15.261 7.459 1.00 40.25 C ATOM 130 CD LYS A 10 10.524 -15.193 8.551 1.00 32.41 C ATOM 131 CE LYS A 10 10.622 -16.532 9.282 1.00 23.04 C ATOM 132 NZ LYS A 10 11.663 -16.493 10.323 1.00 32.54 N ATOM 0 H LYS A 10 11.456 -13.628 6.040 1.00 54.54 H new ATOM 0 HA LYS A 10 10.559 -15.764 4.191 1.00 35.21 H new ATOM 0 HB2 LYS A 10 9.069 -16.608 5.818 1.00 21.32 H new ATOM 0 HB3 LYS A 10 10.703 -16.694 6.445 1.00 21.32 H new ATOM 0 HG2 LYS A 10 9.154 -14.247 7.191 1.00 40.25 H new ATOM 0 HG3 LYS A 10 8.566 -15.755 7.863 1.00 40.25 H new ATOM 0 HD2 LYS A 10 11.488 -14.941 8.108 1.00 32.41 H new ATOM 0 HD3 LYS A 10 10.282 -14.401 9.260 1.00 32.41 H new ATOM 0 HE2 LYS A 10 9.660 -16.774 9.734 1.00 23.04 H new ATOM 0 HE3 LYS A 10 10.847 -17.324 8.568 1.00 23.04 H new ATOM 0 HZ1 LYS A 10 11.708 -17.414 10.803 1.00 32.54 H new ATOM 0 HZ2 LYS A 10 12.583 -16.285 9.886 1.00 32.54 H new ATOM 0 HZ3 LYS A 10 11.433 -15.752 11.016 1.00 32.54 H new ATOM 146 N LYS A 11 8.109 -14.456 4.390 1.00 24.20 N ATOM 147 CA LYS A 11 6.994 -13.596 4.001 1.00 43.32 C ATOM 148 C LYS A 11 7.365 -12.780 2.772 1.00 64.52 C ATOM 149 O LYS A 11 7.649 -11.594 2.870 1.00 3.33 O ATOM 150 CB LYS A 11 6.551 -12.701 5.177 1.00 14.22 C ATOM 151 CG LYS A 11 6.045 -13.458 6.409 1.00 71.40 C ATOM 152 CD LYS A 11 4.626 -13.990 6.204 1.00 14.32 C ATOM 153 CE LYS A 11 4.208 -14.758 7.455 1.00 12.42 C ATOM 154 NZ LYS A 11 2.945 -15.496 7.263 1.00 42.12 N ATOM 0 H LYS A 11 7.840 -15.437 4.470 1.00 24.20 H new ATOM 0 HA LYS A 11 6.141 -14.222 3.740 1.00 43.32 H new ATOM 0 HB2 LYS A 11 7.392 -12.074 5.474 1.00 14.22 H new ATOM 0 HB3 LYS A 11 5.762 -12.034 4.830 1.00 14.22 H new ATOM 0 HG2 LYS A 11 6.717 -14.288 6.627 1.00 71.40 H new ATOM 0 HG3 LYS A 11 6.064 -12.797 7.275 1.00 71.40 H new ATOM 0 HD2 LYS A 11 3.937 -13.167 6.018 1.00 14.32 H new ATOM 0 HD3 LYS A 11 4.589 -14.641 5.330 1.00 14.32 H new ATOM 0 HE2 LYS A 11 4.997 -15.458 7.730 1.00 12.42 H new ATOM 0 HE3 LYS A 11 4.097 -14.061 8.286 1.00 12.42 H new ATOM 0 HZ1 LYS A 11 2.702 -16.002 8.139 1.00 42.12 H new ATOM 0 HZ2 LYS A 11 2.184 -14.827 7.027 1.00 42.12 H new ATOM 0 HZ3 LYS A 11 3.057 -16.180 6.488 1.00 42.12 H new ATOM 168 N ASP A 12 7.295 -13.391 1.594 1.00 42.13 N ATOM 169 CA ASP A 12 7.615 -12.750 0.313 1.00 13.01 C ATOM 170 C ASP A 12 6.749 -11.515 0.081 1.00 64.05 C ATOM 171 O ASP A 12 7.163 -10.566 -0.581 1.00 54.11 O ATOM 172 CB ASP A 12 7.372 -13.742 -0.832 1.00 74.32 C ATOM 173 CG ASP A 12 5.881 -14.024 -1.063 1.00 2.33 C ATOM 174 OD1 ASP A 12 5.214 -14.529 -0.131 1.00 42.42 O ATOM 175 OD2 ASP A 12 5.364 -13.741 -2.169 1.00 24.35 O ATOM 0 H ASP A 12 7.009 -14.365 1.496 1.00 42.13 H new ATOM 0 HA ASP A 12 8.661 -12.446 0.341 1.00 13.01 H new ATOM 0 HB2 ASP A 12 7.809 -13.347 -1.749 1.00 74.32 H new ATOM 0 HB3 ASP A 12 7.885 -14.678 -0.612 1.00 74.32 H new ATOM 180 N LYS A 13 5.546 -11.522 0.649 1.00 41.12 N ATOM 181 CA LYS A 13 4.583 -10.444 0.559 1.00 20.44 C ATOM 182 C LYS A 13 5.052 -9.288 1.422 1.00 13.12 C ATOM 183 O LYS A 13 5.076 -8.153 0.961 1.00 24.15 O ATOM 184 CB LYS A 13 3.220 -10.959 1.037 1.00 32.04 C ATOM 185 CG LYS A 13 2.668 -12.061 0.124 1.00 53.54 C ATOM 186 CD LYS A 13 1.979 -11.478 -1.116 1.00 4.03 C ATOM 187 CE LYS A 13 0.485 -11.299 -0.824 1.00 14.14 C ATOM 188 NZ LYS A 13 -0.279 -12.453 -1.326 1.00 24.45 N ATOM 0 H LYS A 13 5.209 -12.310 1.203 1.00 41.12 H new ATOM 0 HA LYS A 13 4.490 -10.097 -0.470 1.00 20.44 H new ATOM 0 HB2 LYS A 13 3.314 -11.343 2.053 1.00 32.04 H new ATOM 0 HB3 LYS A 13 2.512 -10.131 1.074 1.00 32.04 H new ATOM 0 HG2 LYS A 13 3.481 -12.718 -0.186 1.00 53.54 H new ATOM 0 HG3 LYS A 13 1.958 -12.673 0.681 1.00 53.54 H new ATOM 0 HD2 LYS A 13 2.428 -10.520 -1.380 1.00 4.03 H new ATOM 0 HD3 LYS A 13 2.118 -12.141 -1.970 1.00 4.03 H new ATOM 0 HE2 LYS A 13 0.328 -11.190 0.249 1.00 14.14 H new ATOM 0 HE3 LYS A 13 0.124 -10.384 -1.293 1.00 14.14 H new ATOM 0 HZ1 LYS A 13 -1.213 -12.476 -0.870 1.00 24.45 H new ATOM 0 HZ2 LYS A 13 -0.399 -12.369 -2.356 1.00 24.45 H new ATOM 0 HZ3 LYS A 13 0.234 -13.331 -1.108 1.00 24.45 H new ATOM 202 N LEU A 14 5.394 -9.549 2.684 1.00 50.40 N ATOM 203 CA LEU A 14 5.844 -8.483 3.562 1.00 24.14 C ATOM 204 C LEU A 14 7.234 -8.010 3.165 1.00 22.42 C ATOM 205 O LEU A 14 7.514 -6.837 3.351 1.00 2.13 O ATOM 206 CB LEU A 14 5.836 -8.930 5.028 1.00 54.34 C ATOM 207 CG LEU A 14 4.451 -9.371 5.535 1.00 71.02 C ATOM 208 CD1 LEU A 14 4.598 -9.840 6.978 1.00 11.45 C ATOM 209 CD2 LEU A 14 3.401 -8.257 5.451 1.00 30.53 C ATOM 0 H LEU A 14 5.367 -10.475 3.111 1.00 50.40 H new ATOM 0 HA LEU A 14 5.147 -7.652 3.456 1.00 24.14 H new ATOM 0 HB2 LEU A 14 6.537 -9.755 5.150 1.00 54.34 H new ATOM 0 HB3 LEU A 14 6.196 -8.111 5.650 1.00 54.34 H new ATOM 0 HG LEU A 14 4.096 -10.177 4.893 1.00 71.02 H new ATOM 0 HD11 LEU A 14 3.627 -10.158 7.358 1.00 11.45 H new ATOM 0 HD12 LEU A 14 5.295 -10.677 7.019 1.00 11.45 H new ATOM 0 HD13 LEU A 14 4.977 -9.021 7.590 1.00 11.45 H new ATOM 0 HD21 LEU A 14 2.446 -8.628 5.822 1.00 30.53 H new ATOM 0 HD22 LEU A 14 3.721 -7.409 6.057 1.00 30.53 H new ATOM 0 HD23 LEU A 14 3.289 -7.940 4.414 1.00 30.53 H new ATOM 221 N GLN A 15 8.072 -8.872 2.585 1.00 72.35 N ATOM 222 CA GLN A 15 9.429 -8.563 2.169 1.00 22.32 C ATOM 223 C GLN A 15 9.447 -7.405 1.182 1.00 20.24 C ATOM 224 O GLN A 15 10.242 -6.481 1.356 1.00 15.13 O ATOM 225 CB GLN A 15 10.066 -9.832 1.563 1.00 41.14 C ATOM 226 CG GLN A 15 11.530 -9.670 1.119 1.00 2.01 C ATOM 227 CD GLN A 15 11.655 -9.230 -0.340 1.00 64.21 C ATOM 228 OE1 GLN A 15 11.554 -10.040 -1.254 1.00 53.34 O ATOM 229 NE2 GLN A 15 11.856 -7.953 -0.605 1.00 72.10 N ATOM 0 H GLN A 15 7.808 -9.837 2.388 1.00 72.35 H new ATOM 0 HA GLN A 15 10.013 -8.249 3.034 1.00 22.32 H new ATOM 0 HB2 GLN A 15 10.011 -10.635 2.297 1.00 41.14 H new ATOM 0 HB3 GLN A 15 9.473 -10.144 0.704 1.00 41.14 H new ATOM 0 HG2 GLN A 15 12.021 -8.937 1.759 1.00 2.01 H new ATOM 0 HG3 GLN A 15 12.054 -10.616 1.256 1.00 2.01 H new ATOM 0 HE21 GLN A 15 11.940 -7.281 0.158 1.00 72.10 H new ATOM 0 HE22 GLN A 15 11.928 -7.638 -1.573 1.00 72.10 H new ATOM 238 N VAL A 16 8.614 -7.451 0.143 1.00 13.13 N ATOM 239 CA VAL A 16 8.591 -6.379 -0.841 1.00 62.32 C ATOM 240 C VAL A 16 8.052 -5.079 -0.233 1.00 24.24 C ATOM 241 O VAL A 16 8.541 -4.007 -0.584 1.00 10.44 O ATOM 242 CB VAL A 16 7.835 -6.817 -2.109 1.00 52.54 C ATOM 243 CG1 VAL A 16 8.568 -7.945 -2.845 1.00 73.33 C ATOM 244 CG2 VAL A 16 6.413 -7.311 -1.868 1.00 12.25 C ATOM 0 H VAL A 16 7.956 -8.210 -0.035 1.00 13.13 H new ATOM 0 HA VAL A 16 9.614 -6.165 -1.150 1.00 62.32 H new ATOM 0 HB VAL A 16 7.792 -5.903 -2.701 1.00 52.54 H new ATOM 0 HG11 VAL A 16 8.004 -8.226 -3.734 1.00 73.33 H new ATOM 0 HG12 VAL A 16 9.561 -7.603 -3.139 1.00 73.33 H new ATOM 0 HG13 VAL A 16 8.662 -8.808 -2.186 1.00 73.33 H new ATOM 0 HG21 VAL A 16 5.961 -7.597 -2.818 1.00 12.25 H new ATOM 0 HG22 VAL A 16 6.436 -8.174 -1.203 1.00 12.25 H new ATOM 0 HG23 VAL A 16 5.824 -6.516 -1.411 1.00 12.25 H new ATOM 254 N ILE A 17 7.064 -5.165 0.665 1.00 11.43 N ATOM 255 CA ILE A 17 6.471 -3.991 1.307 1.00 1.04 C ATOM 256 C ILE A 17 7.488 -3.363 2.272 1.00 22.32 C ATOM 257 O ILE A 17 7.632 -2.149 2.296 1.00 51.14 O ATOM 258 CB ILE A 17 5.103 -4.311 1.964 1.00 14.34 C ATOM 259 CG1 ILE A 17 4.118 -4.976 0.979 1.00 64.11 C ATOM 260 CG2 ILE A 17 4.423 -3.027 2.473 1.00 74.55 C ATOM 261 CD1 ILE A 17 2.849 -5.509 1.652 1.00 2.05 C ATOM 0 H ILE A 17 6.655 -6.050 0.965 1.00 11.43 H new ATOM 0 HA ILE A 17 6.241 -3.246 0.545 1.00 1.04 H new ATOM 0 HB ILE A 17 5.325 -4.994 2.784 1.00 14.34 H new ATOM 0 HG12 ILE A 17 3.838 -4.252 0.214 1.00 64.11 H new ATOM 0 HG13 ILE A 17 4.623 -5.798 0.471 1.00 64.11 H new ATOM 0 HG21 ILE A 17 3.466 -3.279 2.929 1.00 74.55 H new ATOM 0 HG22 ILE A 17 5.062 -2.546 3.213 1.00 74.55 H new ATOM 0 HG23 ILE A 17 4.259 -2.346 1.638 1.00 74.55 H new ATOM 0 HD11 ILE A 17 2.202 -5.963 0.901 1.00 2.05 H new ATOM 0 HD12 ILE A 17 3.119 -6.256 2.398 1.00 2.05 H new ATOM 0 HD13 ILE A 17 2.321 -4.687 2.136 1.00 2.05 H new ATOM 273 N ASP A 18 8.215 -4.159 3.052 1.00 73.43 N ATOM 274 CA ASP A 18 9.217 -3.657 4.000 1.00 4.34 C ATOM 275 C ASP A 18 10.379 -3.028 3.230 1.00 74.32 C ATOM 276 O ASP A 18 10.945 -2.026 3.665 1.00 42.03 O ATOM 277 CB ASP A 18 9.757 -4.793 4.894 1.00 74.02 C ATOM 278 CG ASP A 18 9.720 -4.527 6.401 1.00 70.22 C ATOM 279 OD1 ASP A 18 9.651 -5.535 7.148 1.00 42.44 O ATOM 280 OD2 ASP A 18 9.659 -3.378 6.885 1.00 41.34 O ATOM 0 H ASP A 18 8.128 -5.175 3.047 1.00 73.43 H new ATOM 0 HA ASP A 18 8.740 -2.912 4.637 1.00 4.34 H new ATOM 0 HB2 ASP A 18 9.182 -5.696 4.689 1.00 74.02 H new ATOM 0 HB3 ASP A 18 10.788 -4.999 4.605 1.00 74.02 H new ATOM 285 N TRP A 19 10.713 -3.592 2.060 1.00 3.21 N ATOM 286 CA TRP A 19 11.809 -3.081 1.259 1.00 74.43 C ATOM 287 C TRP A 19 11.491 -1.686 0.737 1.00 41.21 C ATOM 288 O TRP A 19 12.276 -0.768 0.977 1.00 42.14 O ATOM 289 CB TRP A 19 12.166 -4.040 0.117 1.00 0.42 C ATOM 290 CG TRP A 19 13.326 -3.585 -0.720 1.00 34.25 C ATOM 291 CD1 TRP A 19 13.312 -2.534 -1.572 1.00 72.21 C ATOM 292 CD2 TRP A 19 14.686 -4.118 -0.776 1.00 53.51 C ATOM 293 NE1 TRP A 19 14.559 -2.370 -2.126 1.00 53.43 N ATOM 294 CE2 TRP A 19 15.437 -3.339 -1.707 1.00 2.52 C ATOM 295 CE3 TRP A 19 15.357 -5.195 -0.158 1.00 74.04 C ATOM 296 CZ2 TRP A 19 16.761 -3.642 -2.053 1.00 62.12 C ATOM 297 CZ3 TRP A 19 16.690 -5.505 -0.486 1.00 45.13 C ATOM 298 CH2 TRP A 19 17.384 -4.743 -1.444 1.00 3.42 C ATOM 0 H TRP A 19 10.235 -4.399 1.658 1.00 3.21 H new ATOM 0 HA TRP A 19 12.687 -3.007 1.901 1.00 74.43 H new ATOM 0 HB2 TRP A 19 12.396 -5.019 0.537 1.00 0.42 H new ATOM 0 HB3 TRP A 19 11.294 -4.165 -0.525 1.00 0.42 H new ATOM 0 HD1 TRP A 19 12.451 -1.917 -1.785 1.00 72.21 H new ATOM 0 HE1 TRP A 19 14.803 -1.619 -2.771 1.00 53.43 H new ATOM 0 HE3 TRP A 19 14.839 -5.791 0.579 1.00 74.04 H new ATOM 0 HZ2 TRP A 19 17.292 -3.040 -2.775 1.00 62.12 H new ATOM 0 HZ3 TRP A 19 17.184 -6.333 0.001 1.00 45.13 H new ATOM 0 HH2 TRP A 19 18.397 -5.005 -1.711 1.00 3.42 H new ATOM 309 N LEU A 20 10.356 -1.518 0.038 1.00 3.41 N ATOM 310 CA LEU A 20 9.962 -0.214 -0.498 1.00 1.43 C ATOM 311 C LEU A 20 9.797 0.808 0.632 1.00 22.31 C ATOM 312 O LEU A 20 10.067 1.985 0.421 1.00 24.24 O ATOM 313 CB LEU A 20 8.727 -0.317 -1.420 1.00 44.11 C ATOM 314 CG LEU A 20 7.427 -0.781 -0.743 1.00 54.31 C ATOM 315 CD1 LEU A 20 6.556 0.375 -0.249 1.00 12.52 C ATOM 316 CD2 LEU A 20 6.558 -1.640 -1.660 1.00 74.22 C ATOM 0 H LEU A 20 9.699 -2.271 -0.166 1.00 3.41 H new ATOM 0 HA LEU A 20 10.766 0.152 -1.136 1.00 1.43 H new ATOM 0 HB2 LEU A 20 8.551 0.659 -1.872 1.00 44.11 H new ATOM 0 HB3 LEU A 20 8.959 -1.007 -2.232 1.00 44.11 H new ATOM 0 HG LEU A 20 7.774 -1.368 0.107 1.00 54.31 H new ATOM 0 HD11 LEU A 20 5.655 -0.022 0.218 1.00 12.52 H new ATOM 0 HD12 LEU A 20 7.113 0.965 0.479 1.00 12.52 H new ATOM 0 HD13 LEU A 20 6.279 1.008 -1.092 1.00 12.52 H new ATOM 0 HD21 LEU A 20 5.654 -1.939 -1.129 1.00 74.22 H new ATOM 0 HD22 LEU A 20 6.286 -1.066 -2.546 1.00 74.22 H new ATOM 0 HD23 LEU A 20 7.113 -2.529 -1.960 1.00 74.22 H new ATOM 328 N ILE A 21 9.362 0.377 1.819 1.00 5.03 N ATOM 329 CA ILE A 21 9.185 1.257 2.965 1.00 31.30 C ATOM 330 C ILE A 21 10.537 1.841 3.385 1.00 54.20 C ATOM 331 O ILE A 21 10.637 3.056 3.551 1.00 40.32 O ATOM 332 CB ILE A 21 8.486 0.476 4.101 1.00 15.24 C ATOM 333 CG1 ILE A 21 6.967 0.405 3.821 1.00 12.04 C ATOM 334 CG2 ILE A 21 8.767 1.086 5.483 1.00 52.05 C ATOM 335 CD1 ILE A 21 6.231 -0.625 4.683 1.00 1.23 C ATOM 0 H ILE A 21 9.123 -0.597 2.007 1.00 5.03 H new ATOM 0 HA ILE A 21 8.545 2.101 2.708 1.00 31.30 H new ATOM 0 HB ILE A 21 8.896 -0.534 4.121 1.00 15.24 H new ATOM 0 HG12 ILE A 21 6.529 1.388 3.991 1.00 12.04 H new ATOM 0 HG13 ILE A 21 6.811 0.164 2.769 1.00 12.04 H new ATOM 0 HG21 ILE A 21 8.255 0.503 6.249 1.00 52.05 H new ATOM 0 HG22 ILE A 21 9.840 1.074 5.675 1.00 52.05 H new ATOM 0 HG23 ILE A 21 8.406 2.114 5.507 1.00 52.05 H new ATOM 0 HD11 ILE A 21 5.170 -0.619 4.432 1.00 1.23 H new ATOM 0 HD12 ILE A 21 6.642 -1.617 4.496 1.00 1.23 H new ATOM 0 HD13 ILE A 21 6.356 -0.374 5.736 1.00 1.23 H new ATOM 347 N GLU A 22 11.570 1.012 3.562 1.00 52.31 N ATOM 348 CA GLU A 22 12.874 1.509 3.990 1.00 31.14 C ATOM 349 C GLU A 22 13.626 2.240 2.871 1.00 14.03 C ATOM 350 O GLU A 22 14.413 3.138 3.159 1.00 63.31 O ATOM 351 CB GLU A 22 13.697 0.363 4.603 1.00 73.24 C ATOM 352 CG GLU A 22 14.788 0.914 5.530 1.00 10.42 C ATOM 353 CD GLU A 22 15.570 -0.192 6.233 1.00 34.51 C ATOM 354 OE1 GLU A 22 16.672 -0.560 5.759 1.00 15.12 O ATOM 355 OE2 GLU A 22 15.126 -0.652 7.311 1.00 31.33 O ATOM 0 H GLU A 22 11.527 0.003 3.416 1.00 52.31 H new ATOM 0 HA GLU A 22 12.711 2.261 4.762 1.00 31.14 H new ATOM 0 HB2 GLU A 22 13.041 -0.304 5.162 1.00 73.24 H new ATOM 0 HB3 GLU A 22 14.152 -0.229 3.809 1.00 73.24 H new ATOM 0 HG2 GLU A 22 15.476 1.529 4.950 1.00 10.42 H new ATOM 0 HG3 GLU A 22 14.332 1.563 6.277 1.00 10.42 H new ATOM 362 N ASN A 23 13.376 1.902 1.600 1.00 55.14 N ATOM 363 CA ASN A 23 14.049 2.544 0.464 1.00 51.13 C ATOM 364 C ASN A 23 13.713 4.024 0.355 1.00 14.11 C ATOM 365 O ASN A 23 14.578 4.794 -0.065 1.00 12.42 O ATOM 366 CB ASN A 23 13.693 1.853 -0.871 1.00 74.51 C ATOM 367 CG ASN A 23 14.679 0.779 -1.304 1.00 42.22 C ATOM 368 OD1 ASN A 23 14.785 0.444 -2.480 1.00 30.34 O ATOM 369 ND2 ASN A 23 15.378 0.175 -0.363 1.00 64.23 N ATOM 0 H ASN A 23 12.706 1.181 1.331 1.00 55.14 H new ATOM 0 HA ASN A 23 15.117 2.441 0.654 1.00 51.13 H new ATOM 0 HB2 ASN A 23 12.703 1.406 -0.782 1.00 74.51 H new ATOM 0 HB3 ASN A 23 13.632 2.610 -1.653 1.00 74.51 H new ATOM 0 HD21 ASN A 23 16.017 -0.581 -0.608 1.00 64.23 H new ATOM 0 HD22 ASN A 23 15.280 0.464 0.610 1.00 64.23 H new ATOM 376 N PHE A 24 12.506 4.432 0.752 1.00 0.12 N ATOM 377 CA PHE A 24 12.074 5.821 0.678 1.00 62.31 C ATOM 378 C PHE A 24 11.724 6.303 2.093 1.00 3.53 C ATOM 379 O PHE A 24 10.553 6.334 2.480 1.00 35.22 O ATOM 380 CB PHE A 24 10.938 5.951 -0.346 1.00 63.34 C ATOM 381 CG PHE A 24 11.093 5.098 -1.600 1.00 12.12 C ATOM 382 CD1 PHE A 24 12.144 5.262 -2.531 1.00 51.00 C ATOM 383 CD2 PHE A 24 10.146 4.089 -1.829 1.00 44.12 C ATOM 384 CE1 PHE A 24 12.226 4.428 -3.651 1.00 24.55 C ATOM 385 CE2 PHE A 24 10.240 3.253 -2.941 1.00 15.41 C ATOM 386 CZ PHE A 24 11.285 3.414 -3.860 1.00 34.42 C ATOM 0 H PHE A 24 11.801 3.802 1.135 1.00 0.12 H new ATOM 0 HA PHE A 24 12.867 6.476 0.317 1.00 62.31 H new ATOM 0 HB2 PHE A 24 10.000 5.685 0.141 1.00 63.34 H new ATOM 0 HB3 PHE A 24 10.858 6.996 -0.645 1.00 63.34 H new ATOM 0 HD1 PHE A 24 12.885 6.033 -2.377 1.00 51.00 H new ATOM 0 HD2 PHE A 24 9.331 3.957 -1.133 1.00 44.12 H new ATOM 0 HE1 PHE A 24 13.026 4.569 -4.363 1.00 24.55 H new ATOM 0 HE2 PHE A 24 9.504 2.478 -3.094 1.00 15.41 H new ATOM 0 HZ PHE A 24 11.363 2.764 -4.719 1.00 34.42 H new ATOM 396 N PRO A 25 12.723 6.680 2.914 1.00 42.34 N ATOM 397 CA PRO A 25 12.522 7.145 4.283 1.00 72.34 C ATOM 398 C PRO A 25 12.012 8.597 4.333 1.00 22.34 C ATOM 399 O PRO A 25 12.579 9.432 5.050 1.00 60.32 O ATOM 400 CB PRO A 25 13.889 6.941 4.949 1.00 54.12 C ATOM 401 CG PRO A 25 14.857 7.261 3.816 1.00 12.11 C ATOM 402 CD PRO A 25 14.146 6.689 2.593 1.00 70.43 C ATOM 0 HA PRO A 25 11.742 6.595 4.810 1.00 72.34 H new ATOM 0 HB2 PRO A 25 14.028 7.605 5.802 1.00 54.12 H new ATOM 0 HB3 PRO A 25 14.015 5.922 5.315 1.00 54.12 H new ATOM 0 HG2 PRO A 25 15.027 8.333 3.720 1.00 12.11 H new ATOM 0 HG3 PRO A 25 15.831 6.796 3.972 1.00 12.11 H new ATOM 0 HD2 PRO A 25 14.342 7.297 1.710 1.00 70.43 H new ATOM 0 HD3 PRO A 25 14.501 5.682 2.372 1.00 70.43 H new ATOM 410 N ASN A 26 11.000 8.940 3.530 1.00 70.34 N ATOM 411 CA ASN A 26 10.407 10.278 3.493 1.00 50.54 C ATOM 412 C ASN A 26 8.933 10.246 3.893 1.00 21.35 C ATOM 413 O ASN A 26 8.404 11.273 4.336 1.00 2.05 O ATOM 414 CB ASN A 26 10.605 10.935 2.116 1.00 20.10 C ATOM 415 CG ASN A 26 12.054 11.176 1.717 1.00 74.05 C ATOM 416 OD1 ASN A 26 12.358 11.352 0.546 1.00 14.33 O ATOM 417 ND2 ASN A 26 12.982 11.193 2.657 1.00 0.43 N ATOM 0 H ASN A 26 10.565 8.286 2.879 1.00 70.34 H new ATOM 0 HA ASN A 26 10.928 10.892 4.228 1.00 50.54 H new ATOM 0 HB2 ASN A 26 10.136 10.305 1.360 1.00 20.10 H new ATOM 0 HB3 ASN A 26 10.079 11.889 2.107 1.00 20.10 H new ATOM 0 HD21 ASN A 26 13.958 11.354 2.407 1.00 0.43 H new ATOM 0 HD22 ASN A 26 12.723 11.046 3.632 1.00 0.43 H new ATOM 424 N ALA A 27 8.287 9.079 3.801 1.00 44.24 N ATOM 425 CA ALA A 27 6.902 8.817 4.153 1.00 13.11 C ATOM 426 C ALA A 27 6.579 7.339 3.939 1.00 30.33 C ATOM 427 O ALA A 27 6.545 6.881 2.800 1.00 41.23 O ATOM 428 CB ALA A 27 6.021 9.582 3.137 1.00 31.30 C ATOM 0 H ALA A 27 8.756 8.242 3.455 1.00 44.24 H new ATOM 0 HA ALA A 27 6.730 9.109 5.189 1.00 13.11 H new ATOM 0 HB1 ALA A 27 4.969 9.411 3.367 1.00 31.30 H new ATOM 0 HB2 ALA A 27 6.237 10.649 3.198 1.00 31.30 H new ATOM 0 HB3 ALA A 27 6.235 9.226 2.129 1.00 31.30 H new ATOM 434 N PHE A 28 6.213 6.618 4.998 1.00 21.14 N ATOM 435 CA PHE A 28 5.804 5.216 4.974 1.00 20.03 C ATOM 436 C PHE A 28 5.422 4.738 6.380 1.00 51.14 C ATOM 437 O PHE A 28 5.689 5.428 7.371 1.00 41.31 O ATOM 438 CB PHE A 28 6.767 4.281 4.208 1.00 52.34 C ATOM 439 CG PHE A 28 6.258 3.891 2.820 1.00 61.44 C ATOM 440 CD1 PHE A 28 4.944 3.400 2.652 1.00 32.44 C ATOM 441 CD2 PHE A 28 7.080 4.044 1.684 1.00 13.50 C ATOM 442 CE1 PHE A 28 4.443 3.118 1.370 1.00 44.32 C ATOM 443 CE2 PHE A 28 6.580 3.742 0.402 1.00 1.42 C ATOM 444 CZ PHE A 28 5.257 3.296 0.241 1.00 14.04 C ATOM 0 H PHE A 28 6.193 7.014 5.938 1.00 21.14 H new ATOM 0 HA PHE A 28 4.900 5.156 4.369 1.00 20.03 H new ATOM 0 HB2 PHE A 28 7.735 4.772 4.107 1.00 52.34 H new ATOM 0 HB3 PHE A 28 6.928 3.377 4.795 1.00 52.34 H new ATOM 0 HD1 PHE A 28 4.318 3.240 3.518 1.00 32.44 H new ATOM 0 HD2 PHE A 28 8.096 4.394 1.797 1.00 13.50 H new ATOM 0 HE1 PHE A 28 3.430 2.764 1.253 1.00 44.32 H new ATOM 0 HE2 PHE A 28 7.217 3.854 -0.463 1.00 1.42 H new ATOM 0 HZ PHE A 28 4.869 3.091 -0.746 1.00 14.04 H new ATOM 454 N PHE A 29 4.786 3.563 6.469 1.00 73.55 N ATOM 455 CA PHE A 29 4.349 2.937 7.711 1.00 73.33 C ATOM 456 C PHE A 29 4.304 1.427 7.496 1.00 74.24 C ATOM 457 O PHE A 29 3.998 0.971 6.394 1.00 24.22 O ATOM 458 CB PHE A 29 2.950 3.438 8.087 1.00 50.03 C ATOM 459 CG PHE A 29 2.917 4.872 8.572 1.00 30.13 C ATOM 460 CD1 PHE A 29 2.611 5.919 7.686 1.00 2.42 C ATOM 461 CD2 PHE A 29 3.246 5.165 9.906 1.00 13.52 C ATOM 462 CE1 PHE A 29 2.630 7.250 8.132 1.00 14.53 C ATOM 463 CE2 PHE A 29 3.211 6.492 10.370 1.00 22.30 C ATOM 464 CZ PHE A 29 2.910 7.536 9.479 1.00 4.25 C ATOM 0 H PHE A 29 4.556 3.007 5.645 1.00 73.55 H new ATOM 0 HA PHE A 29 5.040 3.188 8.515 1.00 73.33 H new ATOM 0 HB2 PHE A 29 2.297 3.344 7.220 1.00 50.03 H new ATOM 0 HB3 PHE A 29 2.542 2.793 8.865 1.00 50.03 H new ATOM 0 HD1 PHE A 29 2.360 5.699 6.659 1.00 2.42 H new ATOM 0 HD2 PHE A 29 3.527 4.368 10.578 1.00 13.52 H new ATOM 0 HE1 PHE A 29 2.429 8.054 7.440 1.00 14.53 H new ATOM 0 HE2 PHE A 29 3.415 6.708 11.408 1.00 22.30 H new ATOM 0 HZ PHE A 29 2.894 8.558 9.829 1.00 4.25 H new ATOM 474 N LYS A 30 4.505 0.660 8.571 1.00 52.44 N ATOM 475 CA LYS A 30 4.528 -0.807 8.574 1.00 51.41 C ATOM 476 C LYS A 30 3.388 -1.382 9.404 1.00 75.53 C ATOM 477 O LYS A 30 2.650 -2.252 8.955 1.00 24.44 O ATOM 478 CB LYS A 30 5.888 -1.276 9.145 1.00 74.01 C ATOM 479 CG LYS A 30 7.077 -0.723 8.343 1.00 2.25 C ATOM 480 CD LYS A 30 8.157 -0.009 9.156 1.00 54.44 C ATOM 481 CE LYS A 30 9.080 -0.995 9.864 1.00 70.21 C ATOM 482 NZ LYS A 30 10.437 -0.441 10.012 1.00 54.40 N ATOM 0 H LYS A 30 4.662 1.057 9.497 1.00 52.44 H new ATOM 0 HA LYS A 30 4.400 -1.165 7.552 1.00 51.41 H new ATOM 0 HB2 LYS A 30 5.973 -0.957 10.184 1.00 74.01 H new ATOM 0 HB3 LYS A 30 5.925 -2.365 9.142 1.00 74.01 H new ATOM 0 HG2 LYS A 30 7.542 -1.548 7.804 1.00 2.25 H new ATOM 0 HG3 LYS A 30 6.694 -0.029 7.595 1.00 2.25 H new ATOM 0 HD2 LYS A 30 8.745 0.630 8.497 1.00 54.44 H new ATOM 0 HD3 LYS A 30 7.686 0.641 9.893 1.00 54.44 H new ATOM 0 HE2 LYS A 30 8.674 -1.237 10.846 1.00 70.21 H new ATOM 0 HE3 LYS A 30 9.124 -1.926 9.299 1.00 70.21 H new ATOM 0 HZ1 LYS A 30 11.043 -1.133 10.497 1.00 54.40 H new ATOM 0 HZ2 LYS A 30 10.831 -0.233 9.072 1.00 54.40 H new ATOM 0 HZ3 LYS A 30 10.395 0.435 10.571 1.00 54.40 H new ATOM 496 N LYS A 31 3.182 -0.822 10.596 1.00 62.12 N ATOM 497 CA LYS A 31 2.188 -1.196 11.603 1.00 72.35 C ATOM 498 C LYS A 31 0.706 -1.255 11.209 1.00 53.24 C ATOM 499 O LYS A 31 -0.103 -1.375 12.130 1.00 44.35 O ATOM 500 CB LYS A 31 2.417 -0.307 12.847 1.00 51.03 C ATOM 501 CG LYS A 31 3.182 -1.043 13.946 1.00 73.34 C ATOM 502 CD LYS A 31 2.259 -2.015 14.686 1.00 51.34 C ATOM 503 CE LYS A 31 3.037 -2.811 15.734 1.00 73.44 C ATOM 504 NZ LYS A 31 2.144 -3.761 16.418 1.00 22.12 N ATOM 0 H LYS A 31 3.750 -0.034 10.907 1.00 62.12 H new ATOM 0 HA LYS A 31 2.373 -2.254 11.790 1.00 72.35 H new ATOM 0 HB2 LYS A 31 2.970 0.586 12.557 1.00 51.03 H new ATOM 0 HB3 LYS A 31 1.455 0.026 13.236 1.00 51.03 H new ATOM 0 HG2 LYS A 31 4.020 -1.588 13.511 1.00 73.34 H new ATOM 0 HG3 LYS A 31 3.601 -0.324 14.650 1.00 73.34 H new ATOM 0 HD2 LYS A 31 1.452 -1.462 15.168 1.00 51.34 H new ATOM 0 HD3 LYS A 31 1.796 -2.698 13.974 1.00 51.34 H new ATOM 0 HE2 LYS A 31 3.856 -3.349 15.258 1.00 73.44 H new ATOM 0 HE3 LYS A 31 3.482 -2.131 16.461 1.00 73.44 H new ATOM 0 HZ1 LYS A 31 2.684 -4.296 17.128 1.00 22.12 H new ATOM 0 HZ2 LYS A 31 1.377 -3.239 16.888 1.00 22.12 H new ATOM 0 HZ3 LYS A 31 1.739 -4.420 15.722 1.00 22.12 H new ATOM 518 N GLY A 32 0.295 -1.074 9.953 1.00 64.02 N ATOM 519 CA GLY A 32 -1.103 -1.137 9.521 1.00 32.31 C ATOM 520 C GLY A 32 -1.965 0.020 10.031 1.00 30.24 C ATOM 521 O GLY A 32 -2.321 0.906 9.282 1.00 50.11 O ATOM 0 H GLY A 32 0.941 -0.875 9.189 1.00 64.02 H new ATOM 0 HA2 GLY A 32 -1.136 -1.148 8.432 1.00 32.31 H new ATOM 0 HA3 GLY A 32 -1.536 -2.077 9.863 1.00 32.31 H new ATOM 525 N ASN A 33 -2.275 0.066 11.318 1.00 45.21 N ATOM 526 CA ASN A 33 -3.104 1.060 12.004 1.00 5.43 C ATOM 527 C ASN A 33 -2.572 2.492 12.006 1.00 14.03 C ATOM 528 O ASN A 33 -3.220 3.382 12.551 1.00 64.22 O ATOM 529 CB ASN A 33 -3.416 0.597 13.432 1.00 64.04 C ATOM 530 CG ASN A 33 -2.385 1.018 14.467 1.00 72.33 C ATOM 531 OD1 ASN A 33 -2.748 1.423 15.567 1.00 24.22 O ATOM 532 ND2 ASN A 33 -1.101 0.928 14.158 1.00 75.15 N ATOM 0 H ASN A 33 -1.929 -0.643 11.964 1.00 45.21 H new ATOM 0 HA ASN A 33 -4.015 1.115 11.409 1.00 5.43 H new ATOM 0 HB2 ASN A 33 -4.389 0.992 13.725 1.00 64.04 H new ATOM 0 HB3 ASN A 33 -3.498 -0.490 13.439 1.00 64.04 H new ATOM 0 HD21 ASN A 33 -0.392 1.198 14.840 1.00 75.15 H new ATOM 0 HD22 ASN A 33 -0.820 0.589 13.238 1.00 75.15 H new ATOM 539 N GLN A 34 -1.359 2.705 11.511 1.00 31.15 N ATOM 540 CA GLN A 34 -0.758 4.026 11.413 1.00 0.23 C ATOM 541 C GLN A 34 -0.569 4.381 9.939 1.00 23.12 C ATOM 542 O GLN A 34 -0.074 5.474 9.668 1.00 24.44 O ATOM 543 CB GLN A 34 0.503 4.168 12.284 1.00 4.54 C ATOM 544 CG GLN A 34 1.474 2.988 12.212 1.00 40.31 C ATOM 545 CD GLN A 34 2.696 3.168 13.114 1.00 54.13 C ATOM 546 OE1 GLN A 34 3.833 3.185 12.645 1.00 32.20 O ATOM 547 NE2 GLN A 34 2.519 3.221 14.418 1.00 62.23 N ATOM 0 H GLN A 34 -0.760 1.956 11.163 1.00 31.15 H new ATOM 0 HA GLN A 34 -1.433 4.770 11.836 1.00 0.23 H new ATOM 0 HB2 GLN A 34 1.032 5.073 11.986 1.00 4.54 H new ATOM 0 HB3 GLN A 34 0.197 4.304 13.321 1.00 4.54 H new ATOM 0 HG2 GLN A 34 0.950 2.075 12.496 1.00 40.31 H new ATOM 0 HG3 GLN A 34 1.805 2.858 11.182 1.00 40.31 H new ATOM 0 HE21 GLN A 34 1.576 3.207 14.806 1.00 62.23 H new ATOM 0 HE22 GLN A 34 3.325 3.276 15.040 1.00 62.23 H new ATOM 556 N VAL A 35 -0.924 3.481 9.006 1.00 75.21 N ATOM 557 CA VAL A 35 -0.767 3.801 7.576 1.00 54.21 C ATOM 558 C VAL A 35 -1.575 5.055 7.192 1.00 32.04 C ATOM 559 O VAL A 35 -2.584 5.381 7.821 1.00 54.43 O ATOM 560 CB VAL A 35 -1.129 2.611 6.655 1.00 43.13 C ATOM 561 CG1 VAL A 35 -0.213 1.396 6.888 1.00 55.11 C ATOM 562 CG2 VAL A 35 -2.622 2.239 6.698 1.00 62.52 C ATOM 0 H VAL A 35 -1.309 2.557 9.205 1.00 75.21 H new ATOM 0 HA VAL A 35 0.291 4.011 7.422 1.00 54.21 H new ATOM 0 HB VAL A 35 -0.944 2.955 5.638 1.00 43.13 H new ATOM 0 HG11 VAL A 35 -0.505 0.586 6.219 1.00 55.11 H new ATOM 0 HG12 VAL A 35 0.821 1.676 6.688 1.00 55.11 H new ATOM 0 HG13 VAL A 35 -0.305 1.064 7.922 1.00 55.11 H new ATOM 0 HG21 VAL A 35 -2.807 1.398 6.030 1.00 62.52 H new ATOM 0 HG22 VAL A 35 -2.899 1.962 7.715 1.00 62.52 H new ATOM 0 HG23 VAL A 35 -3.219 3.093 6.379 1.00 62.52 H new ATOM 572 N LYS A 36 -1.139 5.757 6.145 1.00 60.21 N ATOM 573 CA LYS A 36 -1.752 6.966 5.583 1.00 71.02 C ATOM 574 C LYS A 36 -1.817 6.772 4.062 1.00 23.24 C ATOM 575 O LYS A 36 -1.047 5.949 3.558 1.00 71.23 O ATOM 576 CB LYS A 36 -0.902 8.209 5.931 1.00 53.43 C ATOM 577 CG LYS A 36 -1.626 9.191 6.864 1.00 42.32 C ATOM 578 CD LYS A 36 -0.868 10.524 6.951 1.00 74.21 C ATOM 579 CE LYS A 36 -1.746 11.589 7.616 1.00 20.11 C ATOM 580 NZ LYS A 36 -1.040 12.879 7.730 1.00 71.14 N ATOM 0 H LYS A 36 -0.299 5.482 5.635 1.00 60.21 H new ATOM 0 HA LYS A 36 -2.749 7.123 5.995 1.00 71.02 H new ATOM 0 HB2 LYS A 36 0.027 7.887 6.402 1.00 53.43 H new ATOM 0 HB3 LYS A 36 -0.630 8.725 5.010 1.00 53.43 H new ATOM 0 HG2 LYS A 36 -2.638 9.367 6.499 1.00 42.32 H new ATOM 0 HG3 LYS A 36 -1.717 8.754 7.858 1.00 42.32 H new ATOM 0 HD2 LYS A 36 0.051 10.392 7.522 1.00 74.21 H new ATOM 0 HD3 LYS A 36 -0.579 10.852 5.953 1.00 74.21 H new ATOM 0 HE2 LYS A 36 -2.659 11.723 7.036 1.00 20.11 H new ATOM 0 HE3 LYS A 36 -2.045 11.248 8.607 1.00 20.11 H new ATOM 0 HZ1 LYS A 36 -1.663 13.577 8.184 1.00 71.14 H new ATOM 0 HZ2 LYS A 36 -0.182 12.755 8.304 1.00 71.14 H new ATOM 0 HZ3 LYS A 36 -0.777 13.216 6.782 1.00 71.14 H new ATOM 594 N PRO A 37 -2.677 7.477 3.312 1.00 71.34 N ATOM 595 CA PRO A 37 -2.741 7.313 1.866 1.00 43.25 C ATOM 596 C PRO A 37 -1.486 7.888 1.201 1.00 31.44 C ATOM 597 O PRO A 37 -1.024 8.974 1.552 1.00 64.50 O ATOM 598 CB PRO A 37 -4.027 8.016 1.432 1.00 75.12 C ATOM 599 CG PRO A 37 -4.239 9.083 2.506 1.00 52.33 C ATOM 600 CD PRO A 37 -3.641 8.466 3.769 1.00 43.01 C ATOM 0 HA PRO A 37 -2.765 6.266 1.563 1.00 43.25 H new ATOM 0 HB2 PRO A 37 -3.926 8.460 0.442 1.00 75.12 H new ATOM 0 HB3 PRO A 37 -4.866 7.322 1.386 1.00 75.12 H new ATOM 0 HG2 PRO A 37 -3.741 10.016 2.244 1.00 52.33 H new ATOM 0 HG3 PRO A 37 -5.297 9.312 2.637 1.00 52.33 H new ATOM 0 HD2 PRO A 37 -3.159 9.226 4.384 1.00 43.01 H new ATOM 0 HD3 PRO A 37 -4.415 8.003 4.382 1.00 43.01 H new ATOM 608 N LEU A 38 -0.937 7.133 0.251 1.00 41.14 N ATOM 609 CA LEU A 38 0.255 7.475 -0.528 1.00 23.44 C ATOM 610 C LEU A 38 -0.154 8.099 -1.865 1.00 13.01 C ATOM 611 O LEU A 38 -1.325 8.038 -2.255 1.00 73.41 O ATOM 612 CB LEU A 38 1.106 6.219 -0.817 1.00 14.44 C ATOM 613 CG LEU A 38 1.933 5.608 0.332 1.00 71.10 C ATOM 614 CD1 LEU A 38 2.670 6.654 1.178 1.00 24.54 C ATOM 615 CD2 LEU A 38 1.084 4.682 1.203 1.00 63.42 C ATOM 0 H LEU A 38 -1.326 6.227 -0.009 1.00 41.14 H new ATOM 0 HA LEU A 38 0.842 8.183 0.057 1.00 23.44 H new ATOM 0 HB2 LEU A 38 0.437 5.444 -1.191 1.00 14.44 H new ATOM 0 HB3 LEU A 38 1.794 6.464 -1.626 1.00 14.44 H new ATOM 0 HG LEU A 38 2.708 5.009 -0.145 1.00 71.10 H new ATOM 0 HD11 LEU A 38 3.231 6.154 1.967 1.00 24.54 H new ATOM 0 HD12 LEU A 38 3.357 7.216 0.545 1.00 24.54 H new ATOM 0 HD13 LEU A 38 1.947 7.337 1.624 1.00 24.54 H new ATOM 0 HD21 LEU A 38 1.699 4.269 2.003 1.00 63.42 H new ATOM 0 HD22 LEU A 38 0.257 5.246 1.635 1.00 63.42 H new ATOM 0 HD23 LEU A 38 0.689 3.870 0.593 1.00 63.42 H new ATOM 627 N LYS A 39 0.808 8.703 -2.570 1.00 41.13 N ATOM 628 CA LYS A 39 0.612 9.334 -3.875 1.00 51.43 C ATOM 629 C LYS A 39 -0.060 8.364 -4.852 1.00 51.21 C ATOM 630 O LYS A 39 0.030 7.135 -4.699 1.00 73.21 O ATOM 631 CB LYS A 39 1.981 9.815 -4.412 1.00 12.55 C ATOM 632 CG LYS A 39 1.906 10.810 -5.590 1.00 42.42 C ATOM 633 CD LYS A 39 2.535 10.357 -6.918 1.00 13.12 C ATOM 634 CE LYS A 39 4.042 10.625 -7.086 1.00 31.34 C ATOM 635 NZ LYS A 39 4.454 12.052 -7.177 1.00 64.30 N ATOM 0 H LYS A 39 1.770 8.767 -2.238 1.00 41.13 H new ATOM 0 HA LYS A 39 -0.050 10.194 -3.769 1.00 51.43 H new ATOM 0 HB2 LYS A 39 2.531 10.283 -3.595 1.00 12.55 H new ATOM 0 HB3 LYS A 39 2.557 8.945 -4.727 1.00 12.55 H new ATOM 0 HG2 LYS A 39 0.857 11.043 -5.772 1.00 42.42 H new ATOM 0 HG3 LYS A 39 2.390 11.737 -5.283 1.00 42.42 H new ATOM 0 HD2 LYS A 39 2.363 9.286 -7.030 1.00 13.12 H new ATOM 0 HD3 LYS A 39 2.007 10.852 -7.733 1.00 13.12 H new ATOM 0 HE2 LYS A 39 4.566 10.171 -6.245 1.00 31.34 H new ATOM 0 HE3 LYS A 39 4.382 10.113 -7.986 1.00 31.34 H new ATOM 0 HZ1 LYS A 39 5.003 12.200 -8.048 1.00 64.30 H new ATOM 0 HZ2 LYS A 39 3.608 12.657 -7.194 1.00 64.30 H new ATOM 0 HZ3 LYS A 39 5.039 12.298 -6.353 1.00 64.30 H new ATOM 649 N ILE A 40 -0.755 8.932 -5.834 1.00 70.33 N ATOM 650 CA ILE A 40 -1.452 8.199 -6.873 1.00 31.23 C ATOM 651 C ILE A 40 -0.461 7.255 -7.559 1.00 12.53 C ATOM 652 O ILE A 40 0.636 7.665 -7.927 1.00 42.44 O ATOM 653 CB ILE A 40 -2.142 9.194 -7.836 1.00 72.32 C ATOM 654 CG1 ILE A 40 -3.014 8.505 -8.909 1.00 44.11 C ATOM 655 CG2 ILE A 40 -1.138 10.123 -8.541 1.00 32.21 C ATOM 656 CD1 ILE A 40 -4.199 7.719 -8.335 1.00 1.52 C ATOM 0 H ILE A 40 -0.848 9.944 -5.926 1.00 70.33 H new ATOM 0 HA ILE A 40 -2.247 7.579 -6.460 1.00 31.23 H new ATOM 0 HB ILE A 40 -2.792 9.785 -7.191 1.00 72.32 H new ATOM 0 HG12 ILE A 40 -3.391 9.261 -9.597 1.00 44.11 H new ATOM 0 HG13 ILE A 40 -2.389 7.828 -9.491 1.00 44.11 H new ATOM 0 HG21 ILE A 40 -1.674 10.801 -9.205 1.00 32.21 H new ATOM 0 HG22 ILE A 40 -0.592 10.701 -7.796 1.00 32.21 H new ATOM 0 HG23 ILE A 40 -0.436 9.526 -9.122 1.00 32.21 H new ATOM 0 HD11 ILE A 40 -4.763 7.265 -9.150 1.00 1.52 H new ATOM 0 HD12 ILE A 40 -3.830 6.939 -7.670 1.00 1.52 H new ATOM 0 HD13 ILE A 40 -4.848 8.394 -7.777 1.00 1.52 H new ATOM 668 N GLY A 41 -0.810 5.971 -7.632 1.00 51.05 N ATOM 669 CA GLY A 41 0.010 4.955 -8.278 1.00 32.24 C ATOM 670 C GLY A 41 1.459 4.905 -7.790 1.00 13.32 C ATOM 671 O GLY A 41 2.298 4.496 -8.575 1.00 5.40 O ATOM 0 H GLY A 41 -1.678 5.607 -7.240 1.00 51.05 H new ATOM 0 HA2 GLY A 41 -0.448 3.979 -8.116 1.00 32.24 H new ATOM 0 HA3 GLY A 41 0.008 5.134 -9.353 1.00 32.24 H new ATOM 675 N ILE A 42 1.752 5.147 -6.504 1.00 61.35 N ATOM 676 CA ILE A 42 3.107 5.188 -5.931 1.00 5.24 C ATOM 677 C ILE A 42 3.994 3.991 -6.292 1.00 51.25 C ATOM 678 O ILE A 42 5.214 4.145 -6.360 1.00 31.13 O ATOM 679 CB ILE A 42 3.020 5.368 -4.393 1.00 73.23 C ATOM 680 CG1 ILE A 42 4.419 5.612 -3.788 1.00 71.25 C ATOM 681 CG2 ILE A 42 2.351 4.168 -3.690 1.00 13.11 C ATOM 682 CD1 ILE A 42 4.401 6.439 -2.502 1.00 53.54 C ATOM 0 H ILE A 42 1.027 5.326 -5.809 1.00 61.35 H new ATOM 0 HA ILE A 42 3.601 6.047 -6.386 1.00 5.24 H new ATOM 0 HB ILE A 42 2.392 6.242 -4.222 1.00 73.23 H new ATOM 0 HG12 ILE A 42 4.889 4.650 -3.583 1.00 71.25 H new ATOM 0 HG13 ILE A 42 5.040 6.119 -4.526 1.00 71.25 H new ATOM 0 HG21 ILE A 42 2.317 4.348 -2.616 1.00 13.11 H new ATOM 0 HG22 ILE A 42 1.337 4.043 -4.069 1.00 13.11 H new ATOM 0 HG23 ILE A 42 2.926 3.263 -3.888 1.00 13.11 H new ATOM 0 HD11 ILE A 42 5.420 6.568 -2.138 1.00 53.54 H new ATOM 0 HD12 ILE A 42 3.962 7.416 -2.704 1.00 53.54 H new ATOM 0 HD13 ILE A 42 3.808 5.924 -1.746 1.00 53.54 H new ATOM 694 N PHE A 43 3.418 2.809 -6.522 1.00 50.12 N ATOM 695 CA PHE A 43 4.197 1.637 -6.902 1.00 0.11 C ATOM 696 C PHE A 43 4.962 1.921 -8.200 1.00 32.01 C ATOM 697 O PHE A 43 6.071 1.425 -8.359 1.00 14.41 O ATOM 698 CB PHE A 43 3.284 0.405 -7.060 1.00 25.00 C ATOM 699 CG PHE A 43 3.652 -0.508 -8.225 1.00 21.13 C ATOM 700 CD1 PHE A 43 2.984 -0.356 -9.458 1.00 31.20 C ATOM 701 CD2 PHE A 43 4.713 -1.431 -8.116 1.00 2.33 C ATOM 702 CE1 PHE A 43 3.377 -1.110 -10.576 1.00 12.03 C ATOM 703 CE2 PHE A 43 5.109 -2.179 -9.239 1.00 61.35 C ATOM 704 CZ PHE A 43 4.446 -2.015 -10.469 1.00 22.32 C ATOM 0 H PHE A 43 2.414 2.642 -6.451 1.00 50.12 H new ATOM 0 HA PHE A 43 4.917 1.419 -6.113 1.00 0.11 H new ATOM 0 HB2 PHE A 43 3.313 -0.174 -6.137 1.00 25.00 H new ATOM 0 HB3 PHE A 43 2.256 0.744 -7.191 1.00 25.00 H new ATOM 0 HD1 PHE A 43 2.166 0.344 -9.543 1.00 31.20 H new ATOM 0 HD2 PHE A 43 5.220 -1.563 -7.172 1.00 2.33 H new ATOM 0 HE1 PHE A 43 2.858 -0.994 -11.516 1.00 12.03 H new ATOM 0 HE2 PHE A 43 5.925 -2.882 -9.157 1.00 61.35 H new ATOM 0 HZ PHE A 43 4.759 -2.585 -11.331 1.00 22.32 H new ATOM 714 N ASP A 44 4.355 2.677 -9.117 1.00 22.33 N ATOM 715 CA ASP A 44 4.913 3.040 -10.420 1.00 3.44 C ATOM 716 C ASP A 44 6.153 3.910 -10.269 1.00 4.12 C ATOM 717 O ASP A 44 7.024 3.907 -11.132 1.00 3.24 O ATOM 718 CB ASP A 44 3.836 3.809 -11.189 1.00 55.45 C ATOM 719 CG ASP A 44 4.232 4.147 -12.618 1.00 61.30 C ATOM 720 OD1 ASP A 44 4.420 3.199 -13.411 1.00 35.52 O ATOM 721 OD2 ASP A 44 4.161 5.345 -12.983 1.00 12.34 O ATOM 0 H ASP A 44 3.425 3.068 -8.966 1.00 22.33 H new ATOM 0 HA ASP A 44 5.209 2.136 -10.953 1.00 3.44 H new ATOM 0 HB2 ASP A 44 2.921 3.218 -11.205 1.00 55.45 H new ATOM 0 HB3 ASP A 44 3.610 4.732 -10.656 1.00 55.45 H new ATOM 726 N ASP A 45 6.213 4.705 -9.205 1.00 30.13 N ATOM 727 CA ASP A 45 7.351 5.565 -8.918 1.00 0.34 C ATOM 728 C ASP A 45 8.481 4.735 -8.304 1.00 45.45 C ATOM 729 O ASP A 45 9.654 4.876 -8.633 1.00 53.45 O ATOM 730 CB ASP A 45 6.916 6.678 -7.967 1.00 65.21 C ATOM 731 CG ASP A 45 7.705 7.972 -8.158 1.00 33.25 C ATOM 732 OD1 ASP A 45 7.250 8.960 -7.540 1.00 25.14 O ATOM 733 OD2 ASP A 45 8.680 8.029 -8.947 1.00 70.10 O ATOM 0 H ASP A 45 5.466 4.769 -8.514 1.00 30.13 H new ATOM 0 HA ASP A 45 7.718 6.016 -9.840 1.00 0.34 H new ATOM 0 HB2 ASP A 45 5.855 6.881 -8.116 1.00 65.21 H new ATOM 0 HB3 ASP A 45 7.034 6.336 -6.939 1.00 65.21 H new ATOM 738 N LEU A 46 8.112 3.857 -7.372 1.00 65.43 N ATOM 739 CA LEU A 46 8.972 2.941 -6.636 1.00 74.24 C ATOM 740 C LEU A 46 9.640 1.977 -7.609 1.00 73.13 C ATOM 741 O LEU A 46 10.825 1.686 -7.460 1.00 34.32 O ATOM 742 CB LEU A 46 8.093 2.192 -5.616 1.00 31.05 C ATOM 743 CG LEU A 46 8.389 0.686 -5.381 1.00 22.24 C ATOM 744 CD1 LEU A 46 9.740 0.309 -4.758 1.00 11.54 C ATOM 745 CD2 LEU A 46 7.260 0.084 -4.550 1.00 55.21 C ATOM 0 H LEU A 46 7.135 3.763 -7.095 1.00 65.43 H new ATOM 0 HA LEU A 46 9.762 3.476 -6.109 1.00 74.24 H new ATOM 0 HB2 LEU A 46 8.179 2.705 -4.658 1.00 31.05 H new ATOM 0 HB3 LEU A 46 7.055 2.285 -5.935 1.00 31.05 H new ATOM 0 HG LEU A 46 8.452 0.271 -6.387 1.00 22.24 H new ATOM 0 HD11 LEU A 46 9.804 -0.774 -4.655 1.00 11.54 H new ATOM 0 HD12 LEU A 46 10.548 0.660 -5.400 1.00 11.54 H new ATOM 0 HD13 LEU A 46 9.830 0.773 -3.776 1.00 11.54 H new ATOM 0 HD21 LEU A 46 7.458 -0.974 -4.379 1.00 55.21 H new ATOM 0 HD22 LEU A 46 7.198 0.601 -3.592 1.00 55.21 H new ATOM 0 HD23 LEU A 46 6.316 0.195 -5.084 1.00 55.21 H new ATOM 757 N ILE A 47 8.908 1.519 -8.630 1.00 0.41 N ATOM 758 CA ILE A 47 9.418 0.573 -9.608 1.00 2.21 C ATOM 759 C ILE A 47 10.693 1.143 -10.249 1.00 34.23 C ATOM 760 O ILE A 47 11.627 0.387 -10.509 1.00 2.52 O ATOM 761 CB ILE A 47 8.296 0.199 -10.615 1.00 50.42 C ATOM 762 CG1 ILE A 47 8.227 -1.311 -10.914 1.00 31.42 C ATOM 763 CG2 ILE A 47 8.346 1.026 -11.905 1.00 73.23 C ATOM 764 CD1 ILE A 47 9.247 -1.758 -11.954 1.00 14.10 C ATOM 0 H ILE A 47 7.942 1.800 -8.795 1.00 0.41 H new ATOM 0 HA ILE A 47 9.711 -0.365 -9.137 1.00 2.21 H new ATOM 0 HB ILE A 47 7.367 0.460 -10.108 1.00 50.42 H new ATOM 0 HG12 ILE A 47 8.390 -1.867 -9.991 1.00 31.42 H new ATOM 0 HG13 ILE A 47 7.226 -1.561 -11.264 1.00 31.42 H new ATOM 0 HG21 ILE A 47 7.537 0.717 -12.567 1.00 73.23 H new ATOM 0 HG22 ILE A 47 8.234 2.083 -11.664 1.00 73.23 H new ATOM 0 HG23 ILE A 47 9.303 0.866 -12.403 1.00 73.23 H new ATOM 0 HD11 ILE A 47 9.149 -2.831 -12.122 1.00 14.10 H new ATOM 0 HD12 ILE A 47 9.070 -1.227 -12.889 1.00 14.10 H new ATOM 0 HD13 ILE A 47 10.252 -1.537 -11.596 1.00 14.10 H new ATOM 776 N ASP A 48 10.773 2.469 -10.432 1.00 51.11 N ATOM 777 CA ASP A 48 11.948 3.082 -11.046 1.00 14.03 C ATOM 778 C ASP A 48 13.192 2.831 -10.198 1.00 72.33 C ATOM 779 O ASP A 48 14.282 2.661 -10.751 1.00 73.11 O ATOM 780 CB ASP A 48 11.788 4.590 -11.263 1.00 45.53 C ATOM 781 CG ASP A 48 11.421 4.967 -12.690 1.00 4.23 C ATOM 782 OD1 ASP A 48 12.343 5.320 -13.458 1.00 61.42 O ATOM 783 OD2 ASP A 48 10.219 4.958 -13.036 1.00 41.00 O ATOM 0 H ASP A 48 10.042 3.128 -10.164 1.00 51.11 H new ATOM 0 HA ASP A 48 12.058 2.613 -12.024 1.00 14.03 H new ATOM 0 HB2 ASP A 48 11.019 4.966 -10.588 1.00 45.53 H new ATOM 0 HB3 ASP A 48 12.719 5.088 -10.993 1.00 45.53 H new ATOM 788 N PHE A 49 13.047 2.880 -8.870 1.00 72.45 N ATOM 789 CA PHE A 49 14.131 2.638 -7.931 1.00 71.32 C ATOM 790 C PHE A 49 14.404 1.133 -7.850 1.00 10.25 C ATOM 791 O PHE A 49 15.558 0.709 -7.800 1.00 35.43 O ATOM 792 CB PHE A 49 13.801 3.193 -6.532 1.00 61.12 C ATOM 793 CG PHE A 49 15.040 3.630 -5.778 1.00 1.33 C ATOM 794 CD1 PHE A 49 15.285 5.003 -5.587 1.00 72.14 C ATOM 795 CD2 PHE A 49 15.948 2.682 -5.269 1.00 22.41 C ATOM 796 CE1 PHE A 49 16.441 5.426 -4.917 1.00 55.42 C ATOM 797 CE2 PHE A 49 17.109 3.105 -4.602 1.00 14.12 C ATOM 798 CZ PHE A 49 17.353 4.478 -4.429 1.00 53.34 C ATOM 0 H PHE A 49 12.158 3.092 -8.417 1.00 72.45 H new ATOM 0 HA PHE A 49 15.020 3.157 -8.290 1.00 71.32 H new ATOM 0 HB2 PHE A 49 13.121 4.040 -6.631 1.00 61.12 H new ATOM 0 HB3 PHE A 49 13.278 2.430 -5.955 1.00 61.12 H new ATOM 0 HD1 PHE A 49 14.580 5.732 -5.958 1.00 72.14 H new ATOM 0 HD2 PHE A 49 15.751 1.627 -5.392 1.00 22.41 H new ATOM 0 HE1 PHE A 49 16.630 6.480 -4.777 1.00 55.42 H new ATOM 0 HE2 PHE A 49 17.812 2.378 -4.223 1.00 14.12 H new ATOM 0 HZ PHE A 49 18.247 4.805 -3.918 1.00 53.34 H new ATOM 808 N TYR A 50 13.348 0.313 -7.829 1.00 53.42 N ATOM 809 CA TYR A 50 13.437 -1.140 -7.747 1.00 22.02 C ATOM 810 C TYR A 50 14.276 -1.688 -8.907 1.00 72.32 C ATOM 811 O TYR A 50 15.057 -2.619 -8.709 1.00 33.53 O ATOM 812 CB TYR A 50 12.020 -1.729 -7.635 1.00 31.30 C ATOM 813 CG TYR A 50 11.779 -3.096 -8.248 1.00 4.13 C ATOM 814 CD1 TYR A 50 11.722 -4.253 -7.448 1.00 44.32 C ATOM 815 CD2 TYR A 50 11.544 -3.193 -9.631 1.00 11.24 C ATOM 816 CE1 TYR A 50 11.417 -5.494 -8.039 1.00 10.44 C ATOM 817 CE2 TYR A 50 11.276 -4.435 -10.229 1.00 41.50 C ATOM 818 CZ TYR A 50 11.208 -5.593 -9.428 1.00 24.34 C ATOM 819 OH TYR A 50 10.939 -6.802 -9.983 1.00 63.43 O ATOM 0 H TYR A 50 12.387 0.654 -7.870 1.00 53.42 H new ATOM 0 HA TYR A 50 13.966 -1.452 -6.846 1.00 22.02 H new ATOM 0 HB2 TYR A 50 11.761 -1.784 -6.578 1.00 31.30 H new ATOM 0 HB3 TYR A 50 11.326 -1.026 -8.097 1.00 31.30 H new ATOM 0 HD1 TYR A 50 11.911 -4.189 -6.387 1.00 44.32 H new ATOM 0 HD2 TYR A 50 11.570 -2.302 -10.240 1.00 11.24 H new ATOM 0 HE1 TYR A 50 11.343 -6.377 -7.422 1.00 10.44 H new ATOM 0 HE2 TYR A 50 11.123 -4.503 -11.296 1.00 41.50 H new ATOM 0 HH TYR A 50 10.782 -7.460 -9.274 1.00 63.43 H new ATOM 829 N GLU A 51 14.194 -1.082 -10.095 1.00 30.43 N ATOM 830 CA GLU A 51 14.964 -1.519 -11.261 1.00 34.12 C ATOM 831 C GLU A 51 16.447 -1.108 -11.165 1.00 41.32 C ATOM 832 O GLU A 51 17.257 -1.565 -11.969 1.00 61.22 O ATOM 833 CB GLU A 51 14.268 -1.073 -12.559 1.00 3.21 C ATOM 834 CG GLU A 51 12.968 -1.874 -12.758 1.00 50.41 C ATOM 835 CD GLU A 51 12.400 -1.931 -14.179 1.00 32.21 C ATOM 836 OE1 GLU A 51 11.632 -2.874 -14.474 1.00 42.03 O ATOM 837 OE2 GLU A 51 12.582 -0.981 -14.976 1.00 73.40 O ATOM 0 H GLU A 51 13.594 -0.277 -10.274 1.00 30.43 H new ATOM 0 HA GLU A 51 14.985 -2.609 -11.280 1.00 34.12 H new ATOM 0 HB2 GLU A 51 14.045 -0.007 -12.515 1.00 3.21 H new ATOM 0 HB3 GLU A 51 14.933 -1.225 -13.409 1.00 3.21 H new ATOM 0 HG2 GLU A 51 13.144 -2.896 -12.422 1.00 50.41 H new ATOM 0 HG3 GLU A 51 12.205 -1.451 -12.104 1.00 50.41 H new ATOM 844 N ARG A 52 16.846 -0.262 -10.200 1.00 1.12 N ATOM 845 CA ARG A 52 18.249 0.139 -10.025 1.00 44.44 C ATOM 846 C ARG A 52 18.964 -0.820 -9.074 1.00 15.42 C ATOM 847 O ARG A 52 20.192 -0.911 -9.144 1.00 52.03 O ATOM 848 CB ARG A 52 18.395 1.581 -9.490 1.00 53.01 C ATOM 849 CG ARG A 52 18.637 2.620 -10.591 1.00 52.21 C ATOM 850 CD ARG A 52 17.351 2.971 -11.334 1.00 63.41 C ATOM 851 NE ARG A 52 17.627 3.871 -12.459 1.00 43.23 N ATOM 852 CZ ARG A 52 16.753 4.672 -13.068 1.00 54.45 C ATOM 853 NH1 ARG A 52 15.507 4.795 -12.614 1.00 51.14 N ATOM 854 NH2 ARG A 52 17.150 5.335 -14.143 1.00 42.15 N ATOM 0 H ARG A 52 16.209 0.160 -9.524 1.00 1.12 H new ATOM 0 HA ARG A 52 18.706 0.101 -11.014 1.00 44.44 H new ATOM 0 HB2 ARG A 52 17.493 1.849 -8.940 1.00 53.01 H new ATOM 0 HB3 ARG A 52 19.222 1.615 -8.781 1.00 53.01 H new ATOM 0 HG2 ARG A 52 19.060 3.523 -10.151 1.00 52.21 H new ATOM 0 HG3 ARG A 52 19.372 2.235 -11.298 1.00 52.21 H new ATOM 0 HD2 ARG A 52 16.877 2.060 -11.699 1.00 63.41 H new ATOM 0 HD3 ARG A 52 16.647 3.444 -10.649 1.00 63.41 H new ATOM 0 HE ARG A 52 18.584 3.885 -12.811 1.00 43.23 H new ATOM 0 HH11 ARG A 52 15.211 4.272 -11.790 1.00 51.14 H new ATOM 0 HH12 ARG A 52 14.849 5.412 -13.091 1.00 51.14 H new ATOM 0 HH21 ARG A 52 18.104 5.226 -14.486 1.00 42.15 H new ATOM 0 HH22 ARG A 52 16.501 5.955 -14.628 1.00 42.15 H new ATOM 868 N LEU A 53 18.248 -1.529 -8.193 1.00 23.23 N ATOM 869 CA LEU A 53 18.811 -2.469 -7.233 1.00 63.23 C ATOM 870 C LEU A 53 19.638 -3.523 -7.966 1.00 41.45 C ATOM 871 O LEU A 53 19.190 -4.052 -8.986 1.00 1.02 O ATOM 872 CB LEU A 53 17.676 -3.156 -6.455 1.00 52.00 C ATOM 873 CG LEU A 53 16.615 -2.198 -5.878 1.00 20.40 C ATOM 874 CD1 LEU A 53 15.480 -3.029 -5.275 1.00 52.24 C ATOM 875 CD2 LEU A 53 17.210 -1.175 -4.906 1.00 72.32 C ATOM 0 H LEU A 53 17.232 -1.458 -8.132 1.00 23.23 H new ATOM 0 HA LEU A 53 19.452 -1.928 -6.537 1.00 63.23 H new ATOM 0 HB2 LEU A 53 17.181 -3.868 -7.115 1.00 52.00 H new ATOM 0 HB3 LEU A 53 18.111 -3.729 -5.636 1.00 52.00 H new ATOM 0 HG LEU A 53 16.203 -1.588 -6.682 1.00 20.40 H new ATOM 0 HD11 LEU A 53 14.721 -2.364 -4.863 1.00 52.24 H new ATOM 0 HD12 LEU A 53 15.034 -3.652 -6.050 1.00 52.24 H new ATOM 0 HD13 LEU A 53 15.875 -3.664 -4.482 1.00 52.24 H new ATOM 0 HD21 LEU A 53 16.418 -0.527 -4.531 1.00 72.32 H new ATOM 0 HD22 LEU A 53 17.679 -1.696 -4.071 1.00 72.32 H new ATOM 0 HD23 LEU A 53 17.957 -0.573 -5.423 1.00 72.32 H new ATOM 887 N ASP A 54 20.804 -3.870 -7.427 1.00 65.01 N ATOM 888 CA ASP A 54 21.739 -4.859 -7.982 1.00 64.12 C ATOM 889 C ASP A 54 21.108 -6.250 -8.098 1.00 52.44 C ATOM 890 O ASP A 54 21.536 -7.084 -8.899 1.00 13.34 O ATOM 891 CB ASP A 54 22.969 -4.897 -7.070 1.00 63.12 C ATOM 892 CG ASP A 54 24.030 -5.917 -7.476 1.00 24.11 C ATOM 893 OD1 ASP A 54 24.926 -5.532 -8.258 1.00 1.04 O ATOM 894 OD2 ASP A 54 24.089 -7.019 -6.884 1.00 12.13 O ATOM 0 H ASP A 54 21.141 -3.457 -6.558 1.00 65.01 H new ATOM 0 HA ASP A 54 22.016 -4.566 -8.995 1.00 64.12 H new ATOM 0 HB2 ASP A 54 23.424 -3.906 -7.054 1.00 63.12 H new ATOM 0 HB3 ASP A 54 22.644 -5.116 -6.053 1.00 63.12 H new ATOM 899 N THR A 55 20.086 -6.528 -7.289 1.00 31.34 N ATOM 900 CA THR A 55 19.361 -7.787 -7.285 1.00 21.42 C ATOM 901 C THR A 55 17.966 -7.527 -6.724 1.00 22.42 C ATOM 902 O THR A 55 17.802 -7.469 -5.502 1.00 25.21 O ATOM 903 CB THR A 55 20.107 -8.863 -6.470 1.00 24.33 C ATOM 904 OG1 THR A 55 21.506 -8.824 -6.682 1.00 65.15 O ATOM 905 CG2 THR A 55 19.601 -10.267 -6.793 1.00 23.35 C ATOM 0 H THR A 55 19.734 -5.862 -6.601 1.00 31.34 H new ATOM 0 HA THR A 55 19.283 -8.173 -8.301 1.00 21.42 H new ATOM 0 HB THR A 55 19.903 -8.635 -5.424 1.00 24.33 H new ATOM 0 HG1 THR A 55 21.938 -9.521 -6.145 1.00 65.15 H new ATOM 0 HG21 THR A 55 20.151 -10.997 -6.199 1.00 23.35 H new ATOM 0 HG22 THR A 55 18.539 -10.334 -6.558 1.00 23.35 H new ATOM 0 HG23 THR A 55 19.752 -10.473 -7.853 1.00 23.35 H new ATOM 913 N PRO A 56 16.962 -7.275 -7.570 1.00 51.32 N ATOM 914 CA PRO A 56 15.614 -7.059 -7.096 1.00 22.00 C ATOM 915 C PRO A 56 14.986 -8.423 -6.741 1.00 41.15 C ATOM 916 O PRO A 56 15.509 -9.471 -7.140 1.00 15.24 O ATOM 917 CB PRO A 56 14.901 -6.447 -8.303 1.00 22.15 C ATOM 918 CG PRO A 56 15.566 -7.110 -9.501 1.00 71.22 C ATOM 919 CD PRO A 56 17.000 -7.286 -9.026 1.00 10.13 C ATOM 0 HA PRO A 56 15.554 -6.427 -6.210 1.00 22.00 H new ATOM 0 HB2 PRO A 56 13.830 -6.649 -8.279 1.00 22.15 H new ATOM 0 HB3 PRO A 56 15.020 -5.364 -8.330 1.00 22.15 H new ATOM 0 HG2 PRO A 56 15.100 -8.064 -9.747 1.00 71.22 H new ATOM 0 HG3 PRO A 56 15.508 -6.487 -10.394 1.00 71.22 H new ATOM 0 HD2 PRO A 56 17.418 -8.222 -9.395 1.00 10.13 H new ATOM 0 HD3 PRO A 56 17.634 -6.483 -9.403 1.00 10.13 H new ATOM 927 N PRO A 57 13.854 -8.434 -6.021 1.00 33.55 N ATOM 928 CA PRO A 57 13.123 -9.643 -5.666 1.00 42.13 C ATOM 929 C PRO A 57 12.348 -10.060 -6.936 1.00 21.41 C ATOM 930 O PRO A 57 12.764 -9.750 -8.057 1.00 41.44 O ATOM 931 CB PRO A 57 12.215 -9.193 -4.510 1.00 70.34 C ATOM 932 CG PRO A 57 11.850 -7.768 -4.909 1.00 0.55 C ATOM 933 CD PRO A 57 13.172 -7.273 -5.485 1.00 4.54 C ATOM 0 HA PRO A 57 13.717 -10.501 -5.350 1.00 42.13 H new ATOM 0 HB2 PRO A 57 11.333 -9.827 -4.417 1.00 70.34 H new ATOM 0 HB3 PRO A 57 12.733 -9.225 -3.551 1.00 70.34 H new ATOM 0 HG2 PRO A 57 11.045 -7.740 -5.643 1.00 0.55 H new ATOM 0 HG3 PRO A 57 11.524 -7.173 -4.056 1.00 0.55 H new ATOM 0 HD2 PRO A 57 13.001 -6.531 -6.265 1.00 4.54 H new ATOM 0 HD3 PRO A 57 13.774 -6.792 -4.714 1.00 4.54 H new ATOM 941 N PHE A 58 11.221 -10.766 -6.794 1.00 53.23 N ATOM 942 CA PHE A 58 10.403 -11.179 -7.933 1.00 30.22 C ATOM 943 C PHE A 58 9.986 -9.953 -8.775 1.00 71.23 C ATOM 944 O PHE A 58 10.126 -8.796 -8.361 1.00 44.24 O ATOM 945 CB PHE A 58 9.176 -11.961 -7.432 1.00 54.21 C ATOM 946 CG PHE A 58 9.469 -13.341 -6.869 1.00 23.14 C ATOM 947 CD1 PHE A 58 9.809 -14.397 -7.737 1.00 12.34 C ATOM 948 CD2 PHE A 58 9.369 -13.589 -5.486 1.00 72.32 C ATOM 949 CE1 PHE A 58 10.070 -15.683 -7.231 1.00 72.31 C ATOM 950 CE2 PHE A 58 9.620 -14.879 -4.982 1.00 42.33 C ATOM 951 CZ PHE A 58 9.982 -15.924 -5.849 1.00 63.03 C ATOM 0 H PHE A 58 10.854 -11.064 -5.890 1.00 53.23 H new ATOM 0 HA PHE A 58 10.988 -11.834 -8.578 1.00 30.22 H new ATOM 0 HB2 PHE A 58 8.680 -11.371 -6.662 1.00 54.21 H new ATOM 0 HB3 PHE A 58 8.471 -12.066 -8.257 1.00 54.21 H new ATOM 0 HD1 PHE A 58 9.870 -14.218 -8.800 1.00 12.34 H new ATOM 0 HD2 PHE A 58 9.100 -12.789 -4.812 1.00 72.32 H new ATOM 0 HE1 PHE A 58 10.338 -16.484 -7.904 1.00 72.31 H new ATOM 0 HE2 PHE A 58 9.534 -15.067 -3.922 1.00 42.33 H new ATOM 0 HZ PHE A 58 10.192 -16.908 -5.455 1.00 63.03 H new ATOM 961 N SER A 59 9.404 -10.214 -9.945 1.00 60.15 N ATOM 962 CA SER A 59 8.949 -9.219 -10.909 1.00 12.40 C ATOM 963 C SER A 59 7.983 -8.232 -10.262 1.00 71.40 C ATOM 964 O SER A 59 7.279 -8.524 -9.295 1.00 3.41 O ATOM 965 CB SER A 59 8.276 -9.966 -12.073 1.00 43.31 C ATOM 966 OG SER A 59 9.067 -11.078 -12.473 1.00 4.41 O ATOM 0 H SER A 59 9.230 -11.169 -10.259 1.00 60.15 H new ATOM 0 HA SER A 59 9.795 -8.638 -11.275 1.00 12.40 H new ATOM 0 HB2 SER A 59 7.286 -10.306 -11.771 1.00 43.31 H new ATOM 0 HB3 SER A 59 8.137 -9.289 -12.916 1.00 43.31 H new ATOM 0 HG SER A 59 8.625 -11.544 -13.213 1.00 4.41 H new ATOM 972 N LYS A 60 7.878 -7.068 -10.898 1.00 61.31 N ATOM 973 CA LYS A 60 7.036 -5.932 -10.538 1.00 43.22 C ATOM 974 C LYS A 60 5.605 -6.338 -10.175 1.00 54.22 C ATOM 975 O LYS A 60 4.931 -5.634 -9.422 1.00 34.15 O ATOM 976 CB LYS A 60 7.144 -4.899 -11.661 1.00 53.43 C ATOM 977 CG LYS A 60 6.800 -5.430 -13.066 1.00 11.11 C ATOM 978 CD LYS A 60 7.247 -4.447 -14.150 1.00 22.23 C ATOM 979 CE LYS A 60 8.758 -4.397 -14.388 1.00 14.11 C ATOM 980 NZ LYS A 60 9.163 -3.334 -15.329 1.00 34.51 N ATOM 0 H LYS A 60 8.420 -6.881 -11.741 1.00 61.31 H new ATOM 0 HA LYS A 60 7.392 -5.475 -9.615 1.00 43.22 H new ATOM 0 HB2 LYS A 60 6.482 -4.064 -11.432 1.00 53.43 H new ATOM 0 HB3 LYS A 60 8.160 -4.505 -11.676 1.00 53.43 H new ATOM 0 HG2 LYS A 60 7.284 -6.394 -13.223 1.00 11.11 H new ATOM 0 HG3 LYS A 60 5.726 -5.597 -13.142 1.00 11.11 H new ATOM 0 HD2 LYS A 60 6.755 -4.711 -15.086 1.00 22.23 H new ATOM 0 HD3 LYS A 60 6.903 -3.449 -13.880 1.00 22.23 H new ATOM 0 HE2 LYS A 60 9.265 -4.242 -13.435 1.00 14.11 H new ATOM 0 HE3 LYS A 60 9.091 -5.361 -14.773 1.00 14.11 H new ATOM 0 HZ1 LYS A 60 10.132 -3.026 -15.109 1.00 34.51 H new ATOM 0 HZ2 LYS A 60 9.128 -3.700 -16.302 1.00 34.51 H new ATOM 0 HZ3 LYS A 60 8.515 -2.526 -15.240 1.00 34.51 H new ATOM 994 N LYS A 61 5.099 -7.428 -10.752 1.00 74.13 N ATOM 995 CA LYS A 61 3.774 -7.956 -10.466 1.00 71.44 C ATOM 996 C LYS A 61 3.704 -8.315 -8.977 1.00 13.22 C ATOM 997 O LYS A 61 2.794 -7.832 -8.312 1.00 41.42 O ATOM 998 CB LYS A 61 3.467 -9.122 -11.415 1.00 42.13 C ATOM 999 CG LYS A 61 3.230 -8.555 -12.827 1.00 62.55 C ATOM 1000 CD LYS A 61 2.970 -9.639 -13.878 1.00 70.14 C ATOM 1001 CE LYS A 61 2.461 -9.030 -15.194 1.00 63.12 C ATOM 1002 NZ LYS A 61 3.407 -8.064 -15.790 1.00 44.35 N ATOM 0 H LYS A 61 5.612 -7.975 -11.443 1.00 74.13 H new ATOM 0 HA LYS A 61 2.995 -7.216 -10.649 1.00 71.44 H new ATOM 0 HB2 LYS A 61 4.296 -9.830 -11.426 1.00 42.13 H new ATOM 0 HB3 LYS A 61 2.587 -9.667 -11.073 1.00 42.13 H new ATOM 0 HG2 LYS A 61 2.380 -7.873 -12.800 1.00 62.55 H new ATOM 0 HG3 LYS A 61 4.099 -7.969 -13.126 1.00 62.55 H new ATOM 0 HD2 LYS A 61 3.888 -10.196 -14.064 1.00 70.14 H new ATOM 0 HD3 LYS A 61 2.237 -10.350 -13.497 1.00 70.14 H new ATOM 0 HE2 LYS A 61 2.271 -9.831 -15.908 1.00 63.12 H new ATOM 0 HE3 LYS A 61 1.509 -8.532 -15.012 1.00 63.12 H new ATOM 0 HZ1 LYS A 61 3.024 -7.714 -16.691 1.00 44.35 H new ATOM 0 HZ2 LYS A 61 3.544 -7.265 -15.138 1.00 44.35 H new ATOM 0 HZ3 LYS A 61 4.320 -8.532 -15.961 1.00 44.35 H new ATOM 1016 N SER A 62 4.635 -9.110 -8.430 1.00 41.24 N ATOM 1017 CA SER A 62 4.652 -9.473 -7.012 1.00 15.23 C ATOM 1018 C SER A 62 4.743 -8.183 -6.191 1.00 5.41 C ATOM 1019 O SER A 62 3.987 -8.002 -5.235 1.00 10.34 O ATOM 1020 CB SER A 62 5.813 -10.457 -6.746 1.00 4.33 C ATOM 1021 OG SER A 62 6.568 -10.180 -5.581 1.00 33.25 O ATOM 0 H SER A 62 5.400 -9.520 -8.965 1.00 41.24 H new ATOM 0 HA SER A 62 3.740 -9.990 -6.715 1.00 15.23 H new ATOM 0 HB2 SER A 62 5.406 -11.465 -6.668 1.00 4.33 H new ATOM 0 HB3 SER A 62 6.482 -10.449 -7.606 1.00 4.33 H new ATOM 0 HG SER A 62 6.923 -11.017 -5.215 1.00 33.25 H new ATOM 1027 N LEU A 63 5.596 -7.244 -6.633 1.00 3.44 N ATOM 1028 CA LEU A 63 5.805 -5.966 -5.964 1.00 53.24 C ATOM 1029 C LEU A 63 4.458 -5.260 -5.776 1.00 53.25 C ATOM 1030 O LEU A 63 4.101 -4.929 -4.643 1.00 44.41 O ATOM 1031 CB LEU A 63 6.802 -5.096 -6.771 1.00 23.31 C ATOM 1032 CG LEU A 63 7.597 -4.110 -5.893 1.00 54.10 C ATOM 1033 CD1 LEU A 63 8.766 -4.829 -5.221 1.00 63.30 C ATOM 1034 CD2 LEU A 63 8.177 -2.945 -6.704 1.00 72.04 C ATOM 0 H LEU A 63 6.162 -7.360 -7.474 1.00 3.44 H new ATOM 0 HA LEU A 63 6.241 -6.133 -4.979 1.00 53.24 H new ATOM 0 HB2 LEU A 63 7.500 -5.748 -7.297 1.00 23.31 H new ATOM 0 HB3 LEU A 63 6.255 -4.537 -7.530 1.00 23.31 H new ATOM 0 HG LEU A 63 6.896 -3.718 -5.156 1.00 54.10 H new ATOM 0 HD11 LEU A 63 9.321 -4.123 -4.603 1.00 63.30 H new ATOM 0 HD12 LEU A 63 8.385 -5.637 -4.596 1.00 63.30 H new ATOM 0 HD13 LEU A 63 9.427 -5.241 -5.984 1.00 63.30 H new ATOM 0 HD21 LEU A 63 8.728 -2.278 -6.040 1.00 72.04 H new ATOM 0 HD22 LEU A 63 8.850 -3.333 -7.469 1.00 72.04 H new ATOM 0 HD23 LEU A 63 7.366 -2.394 -7.180 1.00 72.04 H new ATOM 1046 N ARG A 64 3.673 -5.073 -6.842 1.00 50.32 N ATOM 1047 CA ARG A 64 2.379 -4.403 -6.758 1.00 2.32 C ATOM 1048 C ARG A 64 1.307 -5.239 -6.064 1.00 24.11 C ATOM 1049 O ARG A 64 0.484 -4.664 -5.346 1.00 41.05 O ATOM 1050 CB ARG A 64 1.911 -3.993 -8.165 1.00 41.24 C ATOM 1051 CG ARG A 64 0.578 -3.225 -8.189 1.00 23.22 C ATOM 1052 CD ARG A 64 0.587 -2.011 -7.245 1.00 44.53 C ATOM 1053 NE ARG A 64 -0.707 -1.325 -7.167 1.00 61.34 N ATOM 1054 CZ ARG A 64 -1.809 -1.774 -6.563 1.00 73.44 C ATOM 1055 NH1 ARG A 64 -1.813 -2.959 -5.967 1.00 33.32 N ATOM 1056 NH2 ARG A 64 -2.905 -1.030 -6.561 1.00 1.41 N ATOM 0 H ARG A 64 3.919 -5.382 -7.782 1.00 50.32 H new ATOM 0 HA ARG A 64 2.523 -3.517 -6.139 1.00 2.32 H new ATOM 0 HB2 ARG A 64 2.682 -3.375 -8.626 1.00 41.24 H new ATOM 0 HB3 ARG A 64 1.812 -4.889 -8.778 1.00 41.24 H new ATOM 0 HG2 ARG A 64 0.372 -2.890 -9.206 1.00 23.22 H new ATOM 0 HG3 ARG A 64 -0.231 -3.897 -7.905 1.00 23.22 H new ATOM 0 HD2 ARG A 64 0.877 -2.338 -6.247 1.00 44.53 H new ATOM 0 HD3 ARG A 64 1.345 -1.304 -7.581 1.00 44.53 H new ATOM 0 HE ARG A 64 -0.771 -0.413 -7.620 1.00 61.34 H new ATOM 0 HH11 ARG A 64 -0.970 -3.533 -5.968 1.00 33.32 H new ATOM 0 HH12 ARG A 64 -2.659 -3.296 -5.507 1.00 33.32 H new ATOM 0 HH21 ARG A 64 -2.904 -0.119 -7.020 1.00 1.41 H new ATOM 0 HH22 ARG A 64 -3.750 -1.368 -6.101 1.00 1.41 H new ATOM 1070 N GLU A 65 1.265 -6.549 -6.294 1.00 71.11 N ATOM 1071 CA GLU A 65 0.286 -7.461 -5.707 1.00 24.33 C ATOM 1072 C GLU A 65 0.361 -7.410 -4.180 1.00 42.11 C ATOM 1073 O GLU A 65 -0.668 -7.305 -3.512 1.00 35.32 O ATOM 1074 CB GLU A 65 0.525 -8.873 -6.266 1.00 63.35 C ATOM 1075 CG GLU A 65 -0.474 -9.925 -5.754 1.00 45.04 C ATOM 1076 CD GLU A 65 0.217 -10.999 -4.911 1.00 54.14 C ATOM 1077 OE1 GLU A 65 0.137 -10.939 -3.668 1.00 24.34 O ATOM 1078 OE2 GLU A 65 0.838 -11.904 -5.517 1.00 2.32 O ATOM 0 H GLU A 65 1.929 -7.018 -6.910 1.00 71.11 H new ATOM 0 HA GLU A 65 -0.726 -7.159 -5.976 1.00 24.33 H new ATOM 0 HB2 GLU A 65 0.472 -8.836 -7.354 1.00 63.35 H new ATOM 0 HB3 GLU A 65 1.535 -9.189 -6.006 1.00 63.35 H new ATOM 0 HG2 GLU A 65 -1.245 -9.435 -5.159 1.00 45.04 H new ATOM 0 HG3 GLU A 65 -0.975 -10.394 -6.601 1.00 45.04 H new ATOM 1085 N ALA A 66 1.574 -7.402 -3.629 1.00 62.13 N ATOM 1086 CA ALA A 66 1.782 -7.345 -2.197 1.00 20.22 C ATOM 1087 C ALA A 66 1.337 -5.996 -1.627 1.00 3.43 C ATOM 1088 O ALA A 66 0.593 -5.981 -0.645 1.00 32.53 O ATOM 1089 CB ALA A 66 3.251 -7.590 -1.909 1.00 54.21 C ATOM 0 H ALA A 66 2.437 -7.435 -4.171 1.00 62.13 H new ATOM 0 HA ALA A 66 1.178 -8.114 -1.715 1.00 20.22 H new ATOM 0 HB1 ALA A 66 3.423 -7.550 -0.833 1.00 54.21 H new ATOM 0 HB2 ALA A 66 3.537 -8.572 -2.286 1.00 54.21 H new ATOM 0 HB3 ALA A 66 3.851 -6.824 -2.401 1.00 54.21 H new ATOM 1095 N LEU A 67 1.740 -4.867 -2.237 1.00 61.15 N ATOM 1096 CA LEU A 67 1.351 -3.531 -1.756 1.00 72.00 C ATOM 1097 C LEU A 67 -0.174 -3.401 -1.765 1.00 54.34 C ATOM 1098 O LEU A 67 -0.737 -2.665 -0.957 1.00 22.23 O ATOM 1099 CB LEU A 67 1.986 -2.390 -2.583 1.00 13.31 C ATOM 1100 CG LEU A 67 2.619 -1.251 -1.743 1.00 41.22 C ATOM 1101 CD1 LEU A 67 3.050 -0.094 -2.657 1.00 31.30 C ATOM 1102 CD2 LEU A 67 1.721 -0.639 -0.659 1.00 51.45 C ATOM 0 H LEU A 67 2.336 -4.854 -3.065 1.00 61.15 H new ATOM 0 HA LEU A 67 1.728 -3.432 -0.738 1.00 72.00 H new ATOM 0 HB2 LEU A 67 2.753 -2.814 -3.231 1.00 13.31 H new ATOM 0 HB3 LEU A 67 1.222 -1.962 -3.232 1.00 13.31 H new ATOM 0 HG LEU A 67 3.453 -1.739 -1.239 1.00 41.22 H new ATOM 0 HD11 LEU A 67 3.493 0.700 -2.055 1.00 31.30 H new ATOM 0 HD12 LEU A 67 3.783 -0.454 -3.379 1.00 31.30 H new ATOM 0 HD13 LEU A 67 2.180 0.295 -3.186 1.00 31.30 H new ATOM 0 HD21 LEU A 67 2.266 0.146 -0.135 1.00 51.45 H new ATOM 0 HD22 LEU A 67 0.830 -0.215 -1.121 1.00 51.45 H new ATOM 0 HD23 LEU A 67 1.429 -1.413 0.051 1.00 51.45 H new ATOM 1114 N SER A 68 -0.840 -4.126 -2.673 1.00 41.42 N ATOM 1115 CA SER A 68 -2.284 -4.161 -2.825 1.00 12.01 C ATOM 1116 C SER A 68 -2.934 -4.628 -1.517 1.00 64.22 C ATOM 1117 O SER A 68 -4.082 -4.277 -1.260 1.00 71.55 O ATOM 1118 CB SER A 68 -2.646 -5.120 -3.968 1.00 4.44 C ATOM 1119 OG SER A 68 -3.775 -4.714 -4.719 1.00 32.42 O ATOM 0 H SER A 68 -0.360 -4.725 -3.344 1.00 41.42 H new ATOM 0 HA SER A 68 -2.653 -3.163 -3.060 1.00 12.01 H new ATOM 0 HB2 SER A 68 -1.790 -5.212 -4.637 1.00 4.44 H new ATOM 0 HB3 SER A 68 -2.834 -6.110 -3.553 1.00 4.44 H new ATOM 0 HG SER A 68 -3.634 -4.931 -5.664 1.00 32.42 H new ATOM 1125 N TYR A 69 -2.279 -5.495 -0.733 1.00 63.02 N ATOM 1126 CA TYR A 69 -2.830 -5.956 0.536 1.00 70.25 C ATOM 1127 C TYR A 69 -2.752 -4.822 1.551 1.00 4.30 C ATOM 1128 O TYR A 69 -3.713 -4.600 2.278 1.00 0.31 O ATOM 1129 CB TYR A 69 -2.108 -7.205 1.064 1.00 41.41 C ATOM 1130 CG TYR A 69 -2.860 -8.486 0.782 1.00 12.01 C ATOM 1131 CD1 TYR A 69 -3.844 -8.932 1.684 1.00 33.45 C ATOM 1132 CD2 TYR A 69 -2.607 -9.212 -0.394 1.00 40.32 C ATOM 1133 CE1 TYR A 69 -4.596 -10.087 1.404 1.00 25.30 C ATOM 1134 CE2 TYR A 69 -3.364 -10.358 -0.688 1.00 72.45 C ATOM 1135 CZ TYR A 69 -4.373 -10.795 0.202 1.00 25.21 C ATOM 1136 OH TYR A 69 -5.089 -11.913 -0.101 1.00 62.45 O ATOM 0 H TYR A 69 -1.366 -5.888 -0.961 1.00 63.02 H new ATOM 0 HA TYR A 69 -3.869 -6.242 0.375 1.00 70.25 H new ATOM 0 HB2 TYR A 69 -1.118 -7.264 0.611 1.00 41.41 H new ATOM 0 HB3 TYR A 69 -1.961 -7.106 2.139 1.00 41.41 H new ATOM 0 HD1 TYR A 69 -4.023 -8.384 2.597 1.00 33.45 H new ATOM 0 HD2 TYR A 69 -1.831 -8.889 -1.072 1.00 40.32 H new ATOM 0 HE1 TYR A 69 -5.341 -10.432 2.105 1.00 25.30 H new ATOM 0 HE2 TYR A 69 -3.175 -10.908 -1.598 1.00 72.45 H new ATOM 0 HH TYR A 69 -4.797 -12.263 -0.969 1.00 62.45 H new ATOM 1146 N TYR A 70 -1.632 -4.091 1.613 1.00 34.30 N ATOM 1147 CA TYR A 70 -1.498 -2.996 2.569 1.00 25.32 C ATOM 1148 C TYR A 70 -2.519 -1.904 2.266 1.00 33.40 C ATOM 1149 O TYR A 70 -3.185 -1.428 3.184 1.00 74.24 O ATOM 1150 CB TYR A 70 -0.046 -2.522 2.686 1.00 61.32 C ATOM 1151 CG TYR A 70 0.691 -3.225 3.816 1.00 23.43 C ATOM 1152 CD1 TYR A 70 0.530 -4.613 4.027 1.00 14.13 C ATOM 1153 CD2 TYR A 70 1.498 -2.481 4.699 1.00 32.11 C ATOM 1154 CE1 TYR A 70 1.137 -5.242 5.124 1.00 32.14 C ATOM 1155 CE2 TYR A 70 2.122 -3.113 5.790 1.00 61.25 C ATOM 1156 CZ TYR A 70 1.926 -4.493 6.021 1.00 43.34 C ATOM 1157 OH TYR A 70 2.424 -5.100 7.127 1.00 33.44 O ATOM 0 H TYR A 70 -0.817 -4.239 1.018 1.00 34.30 H new ATOM 0 HA TYR A 70 -1.739 -3.351 3.571 1.00 25.32 H new ATOM 0 HB2 TYR A 70 0.473 -2.705 1.745 1.00 61.32 H new ATOM 0 HB3 TYR A 70 -0.028 -1.445 2.855 1.00 61.32 H new ATOM 0 HD1 TYR A 70 -0.065 -5.194 3.338 1.00 14.13 H new ATOM 0 HD2 TYR A 70 1.638 -1.422 4.538 1.00 32.11 H new ATOM 0 HE1 TYR A 70 1.000 -6.302 5.282 1.00 32.14 H new ATOM 0 HE2 TYR A 70 2.753 -2.541 6.454 1.00 61.25 H new ATOM 0 HH TYR A 70 2.948 -4.455 7.646 1.00 33.44 H new ATOM 1167 N SER A 71 -2.722 -1.552 1.000 1.00 13.20 N ATOM 1168 CA SER A 71 -3.726 -0.548 0.630 1.00 12.11 C ATOM 1169 C SER A 71 -5.166 -1.085 0.769 1.00 13.41 C ATOM 1170 O SER A 71 -6.132 -0.397 0.437 1.00 12.33 O ATOM 1171 CB SER A 71 -3.458 0.010 -0.759 1.00 61.12 C ATOM 1172 OG SER A 71 -3.256 -0.998 -1.734 1.00 2.02 O ATOM 0 H SER A 71 -2.208 -1.944 0.211 1.00 13.20 H new ATOM 0 HA SER A 71 -3.636 0.276 1.338 1.00 12.11 H new ATOM 0 HB2 SER A 71 -4.298 0.636 -1.061 1.00 61.12 H new ATOM 0 HB3 SER A 71 -2.579 0.653 -0.722 1.00 61.12 H new ATOM 0 HG SER A 71 -3.090 -0.582 -2.605 1.00 2.02 H new ATOM 1178 N ALA A 72 -5.319 -2.337 1.194 1.00 34.32 N ATOM 1179 CA ALA A 72 -6.568 -3.033 1.437 1.00 43.43 C ATOM 1180 C ALA A 72 -6.611 -3.417 2.923 1.00 35.01 C ATOM 1181 O ALA A 72 -7.419 -4.266 3.300 1.00 75.15 O ATOM 1182 CB ALA A 72 -6.706 -4.236 0.500 1.00 63.22 C ATOM 0 H ALA A 72 -4.512 -2.929 1.390 1.00 34.32 H new ATOM 0 HA ALA A 72 -7.423 -2.393 1.220 1.00 43.43 H new ATOM 0 HB1 ALA A 72 -7.649 -4.745 0.698 1.00 63.22 H new ATOM 0 HB2 ALA A 72 -6.688 -3.895 -0.535 1.00 63.22 H new ATOM 0 HB3 ALA A 72 -5.879 -4.926 0.669 1.00 63.22 H new ATOM 1188 N SER A 73 -5.712 -2.853 3.749 1.00 42.23 N ATOM 1189 CA SER A 73 -5.704 -3.152 5.182 1.00 21.24 C ATOM 1190 C SER A 73 -7.044 -2.696 5.769 1.00 52.31 C ATOM 1191 O SER A 73 -7.595 -1.696 5.290 1.00 34.52 O ATOM 1192 CB SER A 73 -4.587 -2.412 5.933 1.00 72.44 C ATOM 1193 OG SER A 73 -3.301 -2.729 5.451 1.00 65.55 O ATOM 0 H SER A 73 -4.992 -2.196 3.449 1.00 42.23 H new ATOM 0 HA SER A 73 -5.538 -4.223 5.298 1.00 21.24 H new ATOM 0 HB2 SER A 73 -4.748 -1.337 5.846 1.00 72.44 H new ATOM 0 HB3 SER A 73 -4.643 -2.658 6.993 1.00 72.44 H new ATOM 0 HG SER A 73 -3.008 -2.038 4.821 1.00 65.55 H new ATOM 1199 N PRO A 74 -7.551 -3.340 6.832 1.00 51.25 N ATOM 1200 CA PRO A 74 -8.814 -2.936 7.422 1.00 61.44 C ATOM 1201 C PRO A 74 -8.661 -1.535 7.996 1.00 24.21 C ATOM 1202 O PRO A 74 -9.500 -0.673 7.755 1.00 2.44 O ATOM 1203 CB PRO A 74 -9.132 -3.969 8.507 1.00 53.31 C ATOM 1204 CG PRO A 74 -7.780 -4.588 8.834 1.00 73.02 C ATOM 1205 CD PRO A 74 -7.010 -4.502 7.516 1.00 12.21 C ATOM 0 HA PRO A 74 -9.628 -2.902 6.698 1.00 61.44 H new ATOM 0 HB2 PRO A 74 -9.580 -3.502 9.384 1.00 53.31 H new ATOM 0 HB3 PRO A 74 -9.838 -4.719 8.150 1.00 53.31 H new ATOM 0 HG2 PRO A 74 -7.273 -4.043 9.630 1.00 73.02 H new ATOM 0 HG3 PRO A 74 -7.883 -5.620 9.170 1.00 73.02 H new ATOM 0 HD2 PRO A 74 -5.940 -4.392 7.692 1.00 12.21 H new ATOM 0 HD3 PRO A 74 -7.144 -5.406 6.922 1.00 12.21 H new ATOM 1213 N ALA A 75 -7.550 -1.281 8.693 1.00 61.02 N ATOM 1214 CA ALA A 75 -7.290 -0.003 9.307 1.00 72.14 C ATOM 1215 C ALA A 75 -7.136 1.119 8.283 1.00 42.14 C ATOM 1216 O ALA A 75 -7.490 2.246 8.596 1.00 41.31 O ATOM 1217 CB ALA A 75 -6.055 -0.138 10.184 1.00 64.24 C ATOM 0 H ALA A 75 -6.811 -1.968 8.840 1.00 61.02 H new ATOM 0 HA ALA A 75 -8.149 0.279 9.916 1.00 72.14 H new ATOM 0 HB1 ALA A 75 -5.840 0.819 10.659 1.00 64.24 H new ATOM 0 HB2 ALA A 75 -6.234 -0.892 10.951 1.00 64.24 H new ATOM 0 HB3 ALA A 75 -5.205 -0.438 9.571 1.00 64.24 H new ATOM 1223 N TYR A 76 -6.600 0.858 7.086 1.00 13.40 N ATOM 1224 CA TYR A 76 -6.438 1.890 6.061 1.00 53.35 C ATOM 1225 C TYR A 76 -7.801 2.377 5.597 1.00 53.51 C ATOM 1226 O TYR A 76 -8.051 3.585 5.570 1.00 64.02 O ATOM 1227 CB TYR A 76 -5.644 1.331 4.864 1.00 42.35 C ATOM 1228 CG TYR A 76 -5.690 2.187 3.607 1.00 61.40 C ATOM 1229 CD1 TYR A 76 -4.857 3.313 3.452 1.00 43.11 C ATOM 1230 CD2 TYR A 76 -6.609 1.863 2.590 1.00 25.13 C ATOM 1231 CE1 TYR A 76 -4.944 4.099 2.293 1.00 65.22 C ATOM 1232 CE2 TYR A 76 -6.684 2.633 1.419 1.00 3.11 C ATOM 1233 CZ TYR A 76 -5.849 3.759 1.266 1.00 24.31 C ATOM 1234 OH TYR A 76 -5.888 4.499 0.128 1.00 42.31 O ATOM 0 H TYR A 76 -6.270 -0.065 6.804 1.00 13.40 H new ATOM 0 HA TYR A 76 -5.886 2.727 6.488 1.00 53.35 H new ATOM 0 HB2 TYR A 76 -4.603 1.207 5.163 1.00 42.35 H new ATOM 0 HB3 TYR A 76 -6.027 0.339 4.624 1.00 42.35 H new ATOM 0 HD1 TYR A 76 -4.150 3.571 4.227 1.00 43.11 H new ATOM 0 HD2 TYR A 76 -7.263 1.013 2.713 1.00 25.13 H new ATOM 0 HE1 TYR A 76 -4.314 4.970 2.187 1.00 65.22 H new ATOM 0 HE2 TYR A 76 -7.379 2.364 0.637 1.00 3.11 H new ATOM 0 HH TYR A 76 -6.565 4.131 -0.478 1.00 42.31 H new ATOM 1244 N LEU A 77 -8.666 1.430 5.237 1.00 75.13 N ATOM 1245 CA LEU A 77 -10.000 1.725 4.748 1.00 75.31 C ATOM 1246 C LEU A 77 -10.820 2.362 5.861 1.00 32.32 C ATOM 1247 O LEU A 77 -11.419 3.409 5.656 1.00 71.53 O ATOM 1248 CB LEU A 77 -10.655 0.452 4.199 1.00 51.32 C ATOM 1249 CG LEU A 77 -9.823 -0.281 3.130 1.00 2.22 C ATOM 1250 CD1 LEU A 77 -10.323 -1.713 3.007 1.00 64.32 C ATOM 1251 CD2 LEU A 77 -9.849 0.455 1.785 1.00 23.14 C ATOM 0 H LEU A 77 -8.454 0.433 5.279 1.00 75.13 H new ATOM 0 HA LEU A 77 -9.946 2.438 3.925 1.00 75.31 H new ATOM 0 HB2 LEU A 77 -10.843 -0.231 5.027 1.00 51.32 H new ATOM 0 HB3 LEU A 77 -11.624 0.711 3.773 1.00 51.32 H new ATOM 0 HG LEU A 77 -8.779 -0.299 3.441 1.00 2.22 H new ATOM 0 HD11 LEU A 77 -9.739 -2.239 2.252 1.00 64.32 H new ATOM 0 HD12 LEU A 77 -10.216 -2.219 3.966 1.00 64.32 H new ATOM 0 HD13 LEU A 77 -11.373 -1.708 2.715 1.00 64.32 H new ATOM 0 HD21 LEU A 77 -9.250 -0.094 1.058 1.00 23.14 H new ATOM 0 HD22 LEU A 77 -10.877 0.526 1.429 1.00 23.14 H new ATOM 0 HD23 LEU A 77 -9.438 1.457 1.910 1.00 23.14 H new ATOM 1263 N SER A 78 -10.784 1.777 7.060 1.00 70.15 N ATOM 1264 CA SER A 78 -11.497 2.284 8.230 1.00 51.32 C ATOM 1265 C SER A 78 -11.041 3.729 8.544 1.00 2.20 C ATOM 1266 O SER A 78 -11.822 4.558 9.015 1.00 35.10 O ATOM 1267 CB SER A 78 -11.245 1.307 9.390 1.00 74.12 C ATOM 1268 OG SER A 78 -12.125 1.527 10.469 1.00 42.13 O ATOM 0 H SER A 78 -10.252 0.927 7.246 1.00 70.15 H new ATOM 0 HA SER A 78 -12.571 2.339 8.052 1.00 51.32 H new ATOM 0 HB2 SER A 78 -11.359 0.284 9.033 1.00 74.12 H new ATOM 0 HB3 SER A 78 -10.216 1.412 9.735 1.00 74.12 H new ATOM 0 HG SER A 78 -11.933 0.885 11.184 1.00 42.13 H new ATOM 1274 N CYS A 79 -9.779 4.068 8.250 1.00 4.25 N ATOM 1275 CA CYS A 79 -9.195 5.388 8.459 1.00 52.11 C ATOM 1276 C CYS A 79 -9.617 6.396 7.378 1.00 60.33 C ATOM 1277 O CYS A 79 -9.023 7.465 7.321 1.00 22.20 O ATOM 1278 CB CYS A 79 -7.673 5.303 8.634 1.00 51.41 C ATOM 1279 SG CYS A 79 -7.047 6.735 9.556 1.00 43.22 S ATOM 0 H CYS A 79 -9.118 3.404 7.846 1.00 4.25 H new ATOM 0 HA CYS A 79 -9.599 5.777 9.394 1.00 52.11 H new ATOM 0 HB2 CYS A 79 -7.414 4.385 9.161 1.00 51.41 H new ATOM 0 HB3 CYS A 79 -7.192 5.256 7.657 1.00 51.41 H new ATOM 0 HG CYS A 79 -7.587 7.821 9.089 1.00 43.22 H new ATOM 1285 N GLN A 80 -10.531 6.063 6.460 1.00 72.12 N ATOM 1286 CA GLN A 80 -11.051 6.936 5.398 1.00 0.33 C ATOM 1287 C GLN A 80 -11.216 8.401 5.844 1.00 35.14 C ATOM 1288 O GLN A 80 -12.243 8.784 6.410 1.00 42.22 O ATOM 1289 CB GLN A 80 -12.392 6.395 4.865 1.00 73.03 C ATOM 1290 CG GLN A 80 -13.453 5.978 5.905 1.00 2.04 C ATOM 1291 CD GLN A 80 -14.646 5.311 5.229 1.00 2.20 C ATOM 1292 OE1 GLN A 80 -14.493 4.313 4.541 1.00 51.21 O ATOM 1293 NE2 GLN A 80 -15.856 5.826 5.389 1.00 53.11 N ATOM 0 H GLN A 80 -10.949 5.133 6.435 1.00 72.12 H new ATOM 0 HA GLN A 80 -10.306 6.929 4.602 1.00 0.33 H new ATOM 0 HB2 GLN A 80 -12.832 7.158 4.223 1.00 73.03 H new ATOM 0 HB3 GLN A 80 -12.180 5.531 4.235 1.00 73.03 H new ATOM 0 HG2 GLN A 80 -13.010 5.293 6.628 1.00 2.04 H new ATOM 0 HG3 GLN A 80 -13.788 6.854 6.460 1.00 2.04 H new ATOM 0 HE21 GLN A 80 -15.984 6.659 5.963 1.00 53.11 H new ATOM 0 HE22 GLN A 80 -16.660 5.389 4.938 1.00 53.11 H new ATOM 1302 N LYS A 81 -10.241 9.259 5.537 1.00 41.12 N ATOM 1303 CA LYS A 81 -10.266 10.668 5.909 1.00 2.00 C ATOM 1304 C LYS A 81 -9.934 11.560 4.725 1.00 30.31 C ATOM 1305 O LYS A 81 -8.764 11.632 4.336 1.00 0.24 O ATOM 1306 CB LYS A 81 -9.314 10.944 7.078 1.00 44.15 C ATOM 1307 CG LYS A 81 -9.876 10.416 8.400 1.00 0.32 C ATOM 1308 CD LYS A 81 -11.143 11.127 8.876 1.00 54.11 C ATOM 1309 CE LYS A 81 -11.182 11.046 10.400 1.00 42.15 C ATOM 1310 NZ LYS A 81 -12.343 11.755 10.968 1.00 65.10 N ATOM 0 H LYS A 81 -9.405 8.989 5.018 1.00 41.12 H new ATOM 0 HA LYS A 81 -11.280 10.904 6.231 1.00 2.00 H new ATOM 0 HB2 LYS A 81 -8.349 10.477 6.880 1.00 44.15 H new ATOM 0 HB3 LYS A 81 -9.138 12.017 7.159 1.00 44.15 H new ATOM 0 HG2 LYS A 81 -10.090 9.353 8.291 1.00 0.32 H new ATOM 0 HG3 LYS A 81 -9.110 10.510 9.170 1.00 0.32 H new ATOM 0 HD2 LYS A 81 -11.143 12.167 8.549 1.00 54.11 H new ATOM 0 HD3 LYS A 81 -12.028 10.658 8.446 1.00 54.11 H new ATOM 0 HE2 LYS A 81 -11.213 10.000 10.705 1.00 42.15 H new ATOM 0 HE3 LYS A 81 -10.265 11.470 10.808 1.00 42.15 H new ATOM 0 HZ1 LYS A 81 -12.327 11.673 12.005 1.00 65.10 H new ATOM 0 HZ2 LYS A 81 -12.302 12.759 10.700 1.00 65.10 H new ATOM 0 HZ3 LYS A 81 -13.220 11.334 10.601 1.00 65.10 H new ATOM 1324 N PRO A 82 -10.936 12.163 4.073 1.00 41.25 N ATOM 1325 CA PRO A 82 -10.688 13.070 2.963 1.00 13.12 C ATOM 1326 C PRO A 82 -9.966 14.291 3.539 1.00 22.41 C ATOM 1327 O PRO A 82 -10.025 14.532 4.748 1.00 23.32 O ATOM 1328 CB PRO A 82 -12.063 13.392 2.389 1.00 41.35 C ATOM 1329 CG PRO A 82 -12.998 13.226 3.588 1.00 52.35 C ATOM 1330 CD PRO A 82 -12.343 12.133 4.428 1.00 23.11 C ATOM 0 HA PRO A 82 -10.061 12.668 2.167 1.00 13.12 H new ATOM 0 HB2 PRO A 82 -12.103 14.404 1.986 1.00 41.35 H new ATOM 0 HB3 PRO A 82 -12.328 12.715 1.577 1.00 41.35 H new ATOM 0 HG2 PRO A 82 -13.094 14.155 4.149 1.00 52.35 H new ATOM 0 HG3 PRO A 82 -14.001 12.939 3.273 1.00 52.35 H new ATOM 0 HD2 PRO A 82 -12.483 12.319 5.493 1.00 23.11 H new ATOM 0 HD3 PRO A 82 -12.781 11.158 4.214 1.00 23.11 H new ATOM 1338 N ASP A 83 -9.325 15.072 2.669 1.00 25.12 N ATOM 1339 CA ASP A 83 -8.544 16.251 3.064 1.00 32.20 C ATOM 1340 C ASP A 83 -7.477 15.835 4.088 1.00 74.31 C ATOM 1341 O ASP A 83 -7.590 16.054 5.293 1.00 73.20 O ATOM 1342 CB ASP A 83 -9.399 17.436 3.523 1.00 12.43 C ATOM 1343 CG ASP A 83 -8.484 18.593 3.928 1.00 3.42 C ATOM 1344 OD1 ASP A 83 -8.769 19.243 4.958 1.00 75.12 O ATOM 1345 OD2 ASP A 83 -7.496 18.857 3.201 1.00 25.42 O ATOM 0 H ASP A 83 -9.331 14.906 1.663 1.00 25.12 H new ATOM 0 HA ASP A 83 -8.040 16.633 2.176 1.00 32.20 H new ATOM 0 HB2 ASP A 83 -10.067 17.749 2.721 1.00 12.43 H new ATOM 0 HB3 ASP A 83 -10.027 17.142 4.364 1.00 12.43 H new ATOM 1350 N THR A 84 -6.441 15.167 3.578 1.00 20.23 N ATOM 1351 CA THR A 84 -5.316 14.663 4.370 1.00 10.11 C ATOM 1352 C THR A 84 -3.955 14.936 3.706 1.00 2.33 C ATOM 1353 O THR A 84 -2.953 14.969 4.419 1.00 62.22 O ATOM 1354 CB THR A 84 -5.585 13.174 4.706 1.00 62.21 C ATOM 1355 OG1 THR A 84 -4.571 12.565 5.479 1.00 40.40 O ATOM 1356 CG2 THR A 84 -5.745 12.306 3.448 1.00 3.41 C ATOM 0 H THR A 84 -6.358 14.957 2.583 1.00 20.23 H new ATOM 0 HA THR A 84 -5.245 15.210 5.310 1.00 10.11 H new ATOM 0 HB THR A 84 -6.511 13.215 5.280 1.00 62.21 H new ATOM 0 HG1 THR A 84 -4.809 11.630 5.653 1.00 40.40 H new ATOM 0 HG21 THR A 84 -5.932 11.273 3.740 1.00 3.41 H new ATOM 0 HG22 THR A 84 -6.584 12.673 2.857 1.00 3.41 H new ATOM 0 HG23 THR A 84 -4.833 12.356 2.853 1.00 3.41 H new ATOM 1364 N ALA A 85 -3.910 15.209 2.389 1.00 43.14 N ATOM 1365 CA ALA A 85 -2.691 15.489 1.617 1.00 62.41 C ATOM 1366 C ALA A 85 -1.750 14.288 1.599 1.00 52.14 C ATOM 1367 O ALA A 85 -1.040 14.014 2.568 1.00 5.33 O ATOM 1368 CB ALA A 85 -2.030 16.795 2.070 1.00 51.32 C ATOM 0 H ALA A 85 -4.753 15.241 1.815 1.00 43.14 H new ATOM 0 HA ALA A 85 -2.972 15.650 0.576 1.00 62.41 H new ATOM 0 HB1 ALA A 85 -1.131 16.972 1.479 1.00 51.32 H new ATOM 0 HB2 ALA A 85 -2.726 17.622 1.930 1.00 51.32 H new ATOM 0 HB3 ALA A 85 -1.762 16.721 3.124 1.00 51.32 H new ATOM 1374 N ARG A 86 -1.838 13.490 0.525 1.00 33.41 N ATOM 1375 CA ARG A 86 -0.957 12.328 0.413 1.00 71.43 C ATOM 1376 C ARG A 86 0.469 12.840 0.153 1.00 33.15 C ATOM 1377 O ARG A 86 0.694 14.031 -0.078 1.00 23.40 O ATOM 1378 CB ARG A 86 -1.371 11.338 -0.695 1.00 73.04 C ATOM 1379 CG ARG A 86 -2.837 10.880 -0.782 1.00 54.21 C ATOM 1380 CD ARG A 86 -3.652 11.786 -1.711 1.00 42.25 C ATOM 1381 NE ARG A 86 -4.556 11.058 -2.618 1.00 63.14 N ATOM 1382 CZ ARG A 86 -5.018 11.551 -3.778 1.00 71.51 C ATOM 1383 NH1 ARG A 86 -4.734 12.798 -4.143 1.00 55.41 N ATOM 1384 NH2 ARG A 86 -5.765 10.787 -4.563 1.00 73.32 N ATOM 0 H ARG A 86 -2.487 13.623 -0.251 1.00 33.41 H new ATOM 0 HA ARG A 86 -1.022 11.769 1.346 1.00 71.43 H new ATOM 0 HB2 ARG A 86 -1.111 11.789 -1.652 1.00 73.04 H new ATOM 0 HB3 ARG A 86 -0.754 10.446 -0.585 1.00 73.04 H new ATOM 0 HG2 ARG A 86 -2.878 9.853 -1.145 1.00 54.21 H new ATOM 0 HG3 ARG A 86 -3.281 10.884 0.214 1.00 54.21 H new ATOM 0 HD2 ARG A 86 -4.240 12.475 -1.105 1.00 42.25 H new ATOM 0 HD3 ARG A 86 -2.966 12.390 -2.306 1.00 42.25 H new ATOM 0 HE ARG A 86 -4.850 10.119 -2.347 1.00 63.14 H new ATOM 0 HH11 ARG A 86 -4.161 13.388 -3.540 1.00 55.41 H new ATOM 0 HH12 ARG A 86 -5.089 13.164 -5.026 1.00 55.41 H new ATOM 0 HH21 ARG A 86 -5.985 9.831 -4.284 1.00 73.32 H new ATOM 0 HH22 ARG A 86 -6.119 11.155 -5.446 1.00 73.32 H new ATOM 1398 N VAL A 87 1.433 11.928 0.145 1.00 2.15 N ATOM 1399 CA VAL A 87 2.843 12.201 -0.099 1.00 32.34 C ATOM 1400 C VAL A 87 3.426 11.070 -0.948 1.00 72.11 C ATOM 1401 O VAL A 87 2.891 9.952 -0.949 1.00 43.32 O ATOM 1402 CB VAL A 87 3.623 12.403 1.221 1.00 74.33 C ATOM 1403 CG1 VAL A 87 3.453 13.826 1.766 1.00 70.55 C ATOM 1404 CG2 VAL A 87 3.218 11.407 2.323 1.00 42.33 C ATOM 0 H VAL A 87 1.246 10.940 0.315 1.00 2.15 H new ATOM 0 HA VAL A 87 2.940 13.138 -0.647 1.00 32.34 H new ATOM 0 HB VAL A 87 4.667 12.224 0.962 1.00 74.33 H new ATOM 0 HG11 VAL A 87 4.015 13.930 2.694 1.00 70.55 H new ATOM 0 HG12 VAL A 87 3.825 14.543 1.034 1.00 70.55 H new ATOM 0 HG13 VAL A 87 2.397 14.018 1.958 1.00 70.55 H new ATOM 0 HG21 VAL A 87 3.802 11.602 3.222 1.00 42.33 H new ATOM 0 HG22 VAL A 87 2.157 11.523 2.546 1.00 42.33 H new ATOM 0 HG23 VAL A 87 3.408 10.389 1.981 1.00 42.33 H new ATOM 1414 N ASP A 88 4.452 11.394 -1.732 1.00 50.14 N ATOM 1415 CA ASP A 88 5.180 10.487 -2.622 1.00 12.43 C ATOM 1416 C ASP A 88 6.473 9.963 -1.991 1.00 21.54 C ATOM 1417 O ASP A 88 6.801 10.282 -0.841 1.00 3.33 O ATOM 1418 CB ASP A 88 5.398 11.136 -3.996 1.00 61.13 C ATOM 1419 CG ASP A 88 6.261 12.385 -4.061 1.00 72.00 C ATOM 1420 OD1 ASP A 88 5.991 13.172 -4.997 1.00 50.11 O ATOM 1421 OD2 ASP A 88 7.160 12.552 -3.212 1.00 31.13 O ATOM 0 H ASP A 88 4.818 12.345 -1.767 1.00 50.14 H new ATOM 0 HA ASP A 88 4.562 9.603 -2.780 1.00 12.43 H new ATOM 0 HB2 ASP A 88 5.842 10.388 -4.653 1.00 61.13 H new ATOM 0 HB3 ASP A 88 4.420 11.383 -4.409 1.00 61.13 H new ATOM 1426 N ILE A 89 7.206 9.129 -2.738 1.00 64.24 N ATOM 1427 CA ILE A 89 8.462 8.539 -2.276 1.00 61.33 C ATOM 1428 C ILE A 89 9.552 9.585 -2.026 1.00 71.11 C ATOM 1429 O ILE A 89 10.479 9.330 -1.264 1.00 1.43 O ATOM 1430 CB ILE A 89 8.985 7.466 -3.258 1.00 43.14 C ATOM 1431 CG1 ILE A 89 9.130 7.975 -4.703 1.00 54.24 C ATOM 1432 CG2 ILE A 89 8.062 6.246 -3.245 1.00 0.45 C ATOM 1433 CD1 ILE A 89 9.939 7.009 -5.566 1.00 33.52 C ATOM 0 H ILE A 89 6.942 8.845 -3.682 1.00 64.24 H new ATOM 0 HA ILE A 89 8.230 8.064 -1.323 1.00 61.33 H new ATOM 0 HB ILE A 89 9.983 7.198 -2.910 1.00 43.14 H new ATOM 0 HG12 ILE A 89 8.141 8.113 -5.141 1.00 54.24 H new ATOM 0 HG13 ILE A 89 9.615 8.951 -4.698 1.00 54.24 H new ATOM 0 HG21 ILE A 89 8.440 5.496 -3.940 1.00 0.45 H new ATOM 0 HG22 ILE A 89 8.029 5.825 -2.240 1.00 0.45 H new ATOM 0 HG23 ILE A 89 7.058 6.546 -3.545 1.00 0.45 H new ATOM 0 HD11 ILE A 89 10.018 7.405 -6.579 1.00 33.52 H new ATOM 0 HD12 ILE A 89 10.937 6.892 -5.143 1.00 33.52 H new ATOM 0 HD13 ILE A 89 9.440 6.040 -5.593 1.00 33.52 H new ATOM 1445 N TYR A 90 9.485 10.737 -2.686 1.00 63.15 N ATOM 1446 CA TYR A 90 10.453 11.810 -2.497 1.00 61.22 C ATOM 1447 C TYR A 90 10.041 12.690 -1.302 1.00 61.02 C ATOM 1448 O TYR A 90 10.820 13.540 -0.867 1.00 33.31 O ATOM 1449 CB TYR A 90 10.546 12.643 -3.776 1.00 62.14 C ATOM 1450 CG TYR A 90 10.890 11.925 -5.076 1.00 52.34 C ATOM 1451 CD1 TYR A 90 11.582 10.693 -5.119 1.00 71.22 C ATOM 1452 CD2 TYR A 90 10.528 12.550 -6.283 1.00 52.42 C ATOM 1453 CE1 TYR A 90 11.980 10.153 -6.357 1.00 61.03 C ATOM 1454 CE2 TYR A 90 10.909 12.013 -7.520 1.00 21.22 C ATOM 1455 CZ TYR A 90 11.657 10.819 -7.560 1.00 14.24 C ATOM 1456 OH TYR A 90 12.063 10.325 -8.759 1.00 2.04 O ATOM 0 H TYR A 90 8.757 10.952 -3.367 1.00 63.15 H new ATOM 0 HA TYR A 90 11.433 11.383 -2.283 1.00 61.22 H new ATOM 0 HB2 TYR A 90 9.590 13.147 -3.916 1.00 62.14 H new ATOM 0 HB3 TYR A 90 11.295 13.419 -3.615 1.00 62.14 H new ATOM 0 HD1 TYR A 90 11.805 10.166 -4.203 1.00 71.22 H new ATOM 0 HD2 TYR A 90 9.946 13.460 -6.256 1.00 52.42 H new ATOM 0 HE1 TYR A 90 12.534 9.226 -6.387 1.00 61.03 H new ATOM 0 HE2 TYR A 90 10.631 12.511 -8.437 1.00 21.22 H new ATOM 0 HH TYR A 90 11.750 10.913 -9.478 1.00 2.04 H new ATOM 1466 N GLY A 91 8.842 12.475 -0.746 1.00 3.12 N ATOM 1467 CA GLY A 91 8.293 13.201 0.384 1.00 34.03 C ATOM 1468 C GLY A 91 7.511 14.444 -0.022 1.00 32.21 C ATOM 1469 O GLY A 91 7.163 15.228 0.865 1.00 42.25 O ATOM 0 H GLY A 91 8.207 11.756 -1.094 1.00 3.12 H new ATOM 0 HA2 GLY A 91 7.639 12.538 0.950 1.00 34.03 H new ATOM 0 HA3 GLY A 91 9.106 13.492 1.049 1.00 34.03 H new ATOM 1473 N ASN A 92 7.269 14.676 -1.316 1.00 14.14 N ATOM 1474 CA ASN A 92 6.530 15.852 -1.755 1.00 33.51 C ATOM 1475 C ASN A 92 5.070 15.688 -1.414 1.00 43.14 C ATOM 1476 O ASN A 92 4.523 14.584 -1.454 1.00 41.32 O ATOM 1477 CB ASN A 92 6.547 16.057 -3.272 1.00 4.23 C ATOM 1478 CG ASN A 92 7.929 16.081 -3.867 1.00 55.21 C ATOM 1479 OD1 ASN A 92 8.757 16.909 -3.491 1.00 22.20 O ATOM 1480 ND2 ASN A 92 8.201 15.198 -4.805 1.00 74.02 N ATOM 0 H ASN A 92 7.575 14.064 -2.072 1.00 14.14 H new ATOM 0 HA ASN A 92 7.013 16.693 -1.257 1.00 33.51 H new ATOM 0 HB2 ASN A 92 5.973 15.259 -3.743 1.00 4.23 H new ATOM 0 HB3 ASN A 92 6.044 16.995 -3.508 1.00 4.23 H new ATOM 0 HD21 ASN A 92 9.122 15.187 -5.243 1.00 74.02 H new ATOM 0 HD22 ASN A 92 7.491 14.525 -5.093 1.00 74.02 H new ATOM 1487 N GLU A 93 4.433 16.810 -1.118 1.00 51.45 N ATOM 1488 CA GLU A 93 3.032 16.875 -0.808 1.00 14.44 C ATOM 1489 C GLU A 93 2.304 16.866 -2.143 1.00 35.31 C ATOM 1490 O GLU A 93 2.696 17.549 -3.097 1.00 60.13 O ATOM 1491 CB GLU A 93 2.783 18.169 -0.039 1.00 44.43 C ATOM 1492 CG GLU A 93 3.001 17.940 1.462 1.00 3.25 C ATOM 1493 CD GLU A 93 3.434 19.224 2.171 1.00 74.23 C ATOM 1494 OE1 GLU A 93 2.698 19.686 3.078 1.00 41.40 O ATOM 1495 OE2 GLU A 93 4.512 19.752 1.814 1.00 13.04 O ATOM 0 H GLU A 93 4.897 17.718 -1.089 1.00 51.45 H new ATOM 0 HA GLU A 93 2.685 16.045 -0.193 1.00 14.44 H new ATOM 0 HB2 GLU A 93 3.455 18.949 -0.397 1.00 44.43 H new ATOM 0 HB3 GLU A 93 1.766 18.517 -0.218 1.00 44.43 H new ATOM 0 HG2 GLU A 93 2.080 17.569 1.911 1.00 3.25 H new ATOM 0 HG3 GLU A 93 3.759 17.170 1.607 1.00 3.25 H new ATOM 1502 N VAL A 94 1.252 16.068 -2.202 1.00 64.04 N ATOM 1503 CA VAL A 94 0.373 15.867 -3.339 1.00 72.10 C ATOM 1504 C VAL A 94 -1.044 16.304 -2.953 1.00 62.32 C ATOM 1505 O VAL A 94 -1.284 16.719 -1.815 1.00 72.43 O ATOM 1506 CB VAL A 94 0.612 14.550 -4.094 1.00 4.43 C ATOM 1507 CG1 VAL A 94 2.098 14.394 -4.466 1.00 42.34 C ATOM 1508 CG2 VAL A 94 0.144 13.317 -3.335 1.00 44.23 C ATOM 0 H VAL A 94 0.971 15.504 -1.400 1.00 64.04 H new ATOM 0 HA VAL A 94 0.622 16.528 -4.169 1.00 72.10 H new ATOM 0 HB VAL A 94 0.006 14.616 -4.998 1.00 4.43 H new ATOM 0 HG11 VAL A 94 2.243 13.455 -5.000 1.00 42.34 H new ATOM 0 HG12 VAL A 94 2.403 15.224 -5.103 1.00 42.34 H new ATOM 0 HG13 VAL A 94 2.702 14.393 -3.559 1.00 42.34 H new ATOM 0 HG21 VAL A 94 0.345 12.426 -3.929 1.00 44.23 H new ATOM 0 HG22 VAL A 94 0.678 13.249 -2.387 1.00 44.23 H new ATOM 0 HG23 VAL A 94 -0.927 13.392 -3.144 1.00 44.23 H new ATOM 1518 N ASP A 95 -2.011 16.160 -3.857 1.00 21.31 N ATOM 1519 CA ASP A 95 -3.368 16.638 -3.621 1.00 24.32 C ATOM 1520 C ASP A 95 -4.069 15.688 -2.649 1.00 24.15 C ATOM 1521 O ASP A 95 -3.502 14.666 -2.240 1.00 11.31 O ATOM 1522 CB ASP A 95 -4.178 16.542 -4.937 1.00 55.22 C ATOM 1523 CG ASP A 95 -3.471 16.911 -6.240 1.00 63.51 C ATOM 1524 OD1 ASP A 95 -3.999 17.786 -6.964 1.00 43.53 O ATOM 1525 OD2 ASP A 95 -2.492 16.225 -6.626 1.00 1.23 O ATOM 0 H ASP A 95 -1.877 15.713 -4.764 1.00 21.31 H new ATOM 0 HA ASP A 95 -3.317 17.658 -3.241 1.00 24.32 H new ATOM 0 HB2 ASP A 95 -4.542 15.519 -5.032 1.00 55.22 H new ATOM 0 HB3 ASP A 95 -5.054 17.184 -4.838 1.00 55.22 H new ATOM 1530 N VAL A 96 -5.343 15.925 -2.337 1.00 62.05 N ATOM 1531 CA VAL A 96 -6.040 15.113 -1.347 1.00 31.21 C ATOM 1532 C VAL A 96 -7.127 14.228 -1.936 1.00 61.14 C ATOM 1533 O VAL A 96 -7.565 14.397 -3.073 1.00 2.41 O ATOM 1534 CB VAL A 96 -6.629 16.055 -0.268 1.00 12.14 C ATOM 1535 CG1 VAL A 96 -5.636 17.129 0.202 1.00 52.34 C ATOM 1536 CG2 VAL A 96 -7.898 16.782 -0.725 1.00 24.22 C ATOM 0 H VAL A 96 -5.907 16.666 -2.753 1.00 62.05 H new ATOM 0 HA VAL A 96 -5.314 14.427 -0.912 1.00 31.21 H new ATOM 0 HB VAL A 96 -6.866 15.380 0.555 1.00 12.14 H new ATOM 0 HG11 VAL A 96 -6.109 17.756 0.957 1.00 52.34 H new ATOM 0 HG12 VAL A 96 -4.756 16.649 0.629 1.00 52.34 H new ATOM 0 HG13 VAL A 96 -5.338 17.745 -0.646 1.00 52.34 H new ATOM 0 HG21 VAL A 96 -8.258 17.425 0.078 1.00 24.22 H new ATOM 0 HG22 VAL A 96 -7.674 17.388 -1.603 1.00 24.22 H new ATOM 0 HG23 VAL A 96 -8.666 16.050 -0.976 1.00 24.22 H new ATOM 1546 N VAL A 97 -7.514 13.239 -1.134 1.00 3.30 N ATOM 1547 CA VAL A 97 -8.551 12.287 -1.490 1.00 31.52 C ATOM 1548 C VAL A 97 -9.891 13.023 -1.395 1.00 33.41 C ATOM 1549 O VAL A 97 -10.111 13.735 -0.407 1.00 72.03 O ATOM 1550 CB VAL A 97 -8.508 11.073 -0.537 1.00 44.44 C ATOM 1551 CG1 VAL A 97 -9.486 9.993 -1.007 1.00 53.04 C ATOM 1552 CG2 VAL A 97 -7.108 10.440 -0.444 1.00 33.42 C ATOM 0 H VAL A 97 -7.110 13.079 -0.211 1.00 3.30 H new ATOM 0 HA VAL A 97 -8.406 11.905 -2.500 1.00 31.52 H new ATOM 0 HB VAL A 97 -8.785 11.450 0.448 1.00 44.44 H new ATOM 0 HG11 VAL A 97 -9.445 9.143 -0.326 1.00 53.04 H new ATOM 0 HG12 VAL A 97 -10.498 10.399 -1.020 1.00 53.04 H new ATOM 0 HG13 VAL A 97 -9.213 9.667 -2.011 1.00 53.04 H new ATOM 0 HG21 VAL A 97 -7.137 9.591 0.240 1.00 33.42 H new ATOM 0 HG22 VAL A 97 -6.796 10.100 -1.432 1.00 33.42 H new ATOM 0 HG23 VAL A 97 -6.398 11.180 -0.074 1.00 33.42 H new ATOM 1562 N THR A 98 -10.753 12.873 -2.403 1.00 10.14 N ATOM 1563 CA THR A 98 -12.067 13.504 -2.427 1.00 35.43 C ATOM 1564 C THR A 98 -12.942 12.894 -1.322 1.00 35.30 C ATOM 1565 O THR A 98 -12.654 11.792 -0.835 1.00 1.33 O ATOM 1566 CB THR A 98 -12.701 13.342 -3.823 1.00 70.24 C ATOM 1567 OG1 THR A 98 -12.818 11.984 -4.185 1.00 41.44 O ATOM 1568 CG2 THR A 98 -11.887 14.097 -4.874 1.00 30.24 C ATOM 0 H THR A 98 -10.555 12.307 -3.228 1.00 10.14 H new ATOM 0 HA THR A 98 -11.976 14.573 -2.233 1.00 35.43 H new ATOM 0 HB THR A 98 -13.704 13.766 -3.778 1.00 70.24 H new ATOM 0 HG1 THR A 98 -13.225 11.916 -5.074 1.00 41.44 H new ATOM 0 HG21 THR A 98 -12.350 13.971 -5.853 1.00 30.24 H new ATOM 0 HG22 THR A 98 -11.859 15.157 -4.620 1.00 30.24 H new ATOM 0 HG23 THR A 98 -10.871 13.703 -4.900 1.00 30.24 H new ATOM 1576 N PRO A 99 -14.042 13.552 -0.918 1.00 23.10 N ATOM 1577 CA PRO A 99 -14.898 13.018 0.129 1.00 51.43 C ATOM 1578 C PRO A 99 -15.538 11.706 -0.303 1.00 14.30 C ATOM 1579 O PRO A 99 -15.685 10.799 0.515 1.00 5.31 O ATOM 1580 CB PRO A 99 -15.925 14.113 0.431 1.00 23.21 C ATOM 1581 CG PRO A 99 -15.977 14.915 -0.866 1.00 52.03 C ATOM 1582 CD PRO A 99 -14.541 14.839 -1.378 1.00 14.13 C ATOM 0 HA PRO A 99 -14.337 12.772 1.030 1.00 51.43 H new ATOM 0 HB2 PRO A 99 -16.899 13.693 0.683 1.00 23.21 H new ATOM 0 HB3 PRO A 99 -15.617 14.732 1.274 1.00 23.21 H new ATOM 0 HG2 PRO A 99 -16.682 14.485 -1.578 1.00 52.03 H new ATOM 0 HG3 PRO A 99 -16.289 15.945 -0.691 1.00 52.03 H new ATOM 0 HD2 PRO A 99 -14.506 14.910 -2.465 1.00 14.13 H new ATOM 0 HD3 PRO A 99 -13.939 15.658 -0.986 1.00 14.13 H new ATOM 1590 N GLU A 100 -15.899 11.592 -1.580 1.00 23.10 N ATOM 1591 CA GLU A 100 -16.535 10.410 -2.125 1.00 32.14 C ATOM 1592 C GLU A 100 -15.542 9.265 -2.255 1.00 54.43 C ATOM 1593 O GLU A 100 -15.847 8.153 -1.828 1.00 42.34 O ATOM 1594 CB GLU A 100 -17.225 10.760 -3.442 1.00 52.11 C ATOM 1595 CG GLU A 100 -18.384 11.720 -3.127 1.00 23.21 C ATOM 1596 CD GLU A 100 -19.215 12.023 -4.358 1.00 41.13 C ATOM 1597 OE1 GLU A 100 -18.726 12.711 -5.284 1.00 12.05 O ATOM 1598 OE2 GLU A 100 -20.378 11.571 -4.406 1.00 51.04 O ATOM 0 H GLU A 100 -15.753 12.331 -2.268 1.00 23.10 H new ATOM 0 HA GLU A 100 -17.305 10.058 -1.438 1.00 32.14 H new ATOM 0 HB2 GLU A 100 -16.520 11.226 -4.130 1.00 52.11 H new ATOM 0 HB3 GLU A 100 -17.598 9.859 -3.929 1.00 52.11 H new ATOM 0 HG2 GLU A 100 -19.020 11.282 -2.358 1.00 23.21 H new ATOM 0 HG3 GLU A 100 -17.986 12.649 -2.720 1.00 23.21 H new ATOM 1605 N GLN A 101 -14.350 9.500 -2.810 1.00 10.04 N ATOM 1606 CA GLN A 101 -13.389 8.410 -2.934 1.00 31.12 C ATOM 1607 C GLN A 101 -12.917 7.951 -1.556 1.00 5.34 C ATOM 1608 O GLN A 101 -12.638 6.764 -1.389 1.00 61.42 O ATOM 1609 CB GLN A 101 -12.246 8.773 -3.880 1.00 63.34 C ATOM 1610 CG GLN A 101 -12.794 8.840 -5.318 1.00 61.21 C ATOM 1611 CD GLN A 101 -11.719 9.031 -6.381 1.00 65.53 C ATOM 1612 OE1 GLN A 101 -10.519 9.074 -6.110 1.00 55.44 O ATOM 1613 NE2 GLN A 101 -12.111 9.083 -7.640 1.00 3.14 N ATOM 0 H GLN A 101 -14.038 10.403 -3.168 1.00 10.04 H new ATOM 0 HA GLN A 101 -13.886 7.556 -3.393 1.00 31.12 H new ATOM 0 HB2 GLN A 101 -11.812 9.732 -3.597 1.00 63.34 H new ATOM 0 HB3 GLN A 101 -11.451 8.031 -3.813 1.00 63.34 H new ATOM 0 HG2 GLN A 101 -13.342 7.922 -5.530 1.00 61.21 H new ATOM 0 HG3 GLN A 101 -13.508 9.661 -5.386 1.00 61.21 H new ATOM 0 HE21 GLN A 101 -13.105 9.047 -7.867 1.00 3.14 H new ATOM 0 HE22 GLN A 101 -11.420 9.159 -8.387 1.00 3.14 H new ATOM 1622 N ALA A 102 -12.863 8.849 -0.562 1.00 43.42 N ATOM 1623 CA ALA A 102 -12.449 8.467 0.775 1.00 22.25 C ATOM 1624 C ALA A 102 -13.527 7.578 1.405 1.00 23.11 C ATOM 1625 O ALA A 102 -13.203 6.479 1.846 1.00 51.01 O ATOM 1626 CB ALA A 102 -12.210 9.712 1.642 1.00 4.42 C ATOM 0 H ALA A 102 -13.101 9.835 -0.667 1.00 43.42 H new ATOM 0 HA ALA A 102 -11.513 7.912 0.714 1.00 22.25 H new ATOM 0 HB1 ALA A 102 -11.900 9.406 2.641 1.00 4.42 H new ATOM 0 HB2 ALA A 102 -11.429 10.324 1.192 1.00 4.42 H new ATOM 0 HB3 ALA A 102 -13.131 10.291 1.709 1.00 4.42 H new ATOM 1632 N LYS A 103 -14.806 7.982 1.387 1.00 14.21 N ATOM 1633 CA LYS A 103 -15.867 7.170 2.000 1.00 10.31 C ATOM 1634 C LYS A 103 -16.036 5.829 1.300 1.00 32.42 C ATOM 1635 O LYS A 103 -16.362 4.853 1.966 1.00 24.52 O ATOM 1636 CB LYS A 103 -17.192 7.941 2.127 1.00 1.23 C ATOM 1637 CG LYS A 103 -17.816 8.251 0.760 1.00 70.21 C ATOM 1638 CD LYS A 103 -19.036 9.170 0.765 1.00 52.33 C ATOM 1639 CE LYS A 103 -18.751 10.511 1.453 1.00 43.42 C ATOM 1640 NZ LYS A 103 -19.825 11.502 1.249 1.00 25.33 N ATOM 0 H LYS A 103 -15.127 8.852 0.962 1.00 14.21 H new ATOM 0 HA LYS A 103 -15.546 6.949 3.018 1.00 10.31 H new ATOM 0 HB2 LYS A 103 -17.895 7.357 2.721 1.00 1.23 H new ATOM 0 HB3 LYS A 103 -17.018 8.873 2.665 1.00 1.23 H new ATOM 0 HG2 LYS A 103 -17.050 8.702 0.129 1.00 70.21 H new ATOM 0 HG3 LYS A 103 -18.100 7.308 0.292 1.00 70.21 H new ATOM 0 HD2 LYS A 103 -19.356 9.351 -0.261 1.00 52.33 H new ATOM 0 HD3 LYS A 103 -19.862 8.672 1.273 1.00 52.33 H new ATOM 0 HE2 LYS A 103 -18.616 10.344 2.522 1.00 43.42 H new ATOM 0 HE3 LYS A 103 -17.813 10.916 1.073 1.00 43.42 H new ATOM 0 HZ1 LYS A 103 -19.578 12.387 1.736 1.00 25.33 H new ATOM 0 HZ2 LYS A 103 -19.939 11.686 0.232 1.00 25.33 H new ATOM 0 HZ3 LYS A 103 -20.717 11.132 1.635 1.00 25.33 H new ATOM 1654 N TYR A 104 -15.825 5.762 -0.016 1.00 64.32 N ATOM 1655 CA TYR A 104 -15.901 4.556 -0.836 1.00 74.32 C ATOM 1656 C TYR A 104 -14.994 3.482 -0.242 1.00 23.43 C ATOM 1657 O TYR A 104 -15.279 2.310 -0.441 1.00 54.42 O ATOM 1658 CB TYR A 104 -15.558 4.899 -2.294 1.00 2.42 C ATOM 1659 CG TYR A 104 -16.741 5.161 -3.219 1.00 34.32 C ATOM 1660 CD1 TYR A 104 -16.747 6.262 -4.101 1.00 53.03 C ATOM 1661 CD2 TYR A 104 -17.774 4.208 -3.312 1.00 44.45 C ATOM 1662 CE1 TYR A 104 -17.746 6.391 -5.085 1.00 62.20 C ATOM 1663 CE2 TYR A 104 -18.776 4.334 -4.285 1.00 75.32 C ATOM 1664 CZ TYR A 104 -18.765 5.418 -5.185 1.00 41.13 C ATOM 1665 OH TYR A 104 -19.719 5.492 -6.150 1.00 41.11 O ATOM 0 H TYR A 104 -15.585 6.589 -0.563 1.00 64.32 H new ATOM 0 HA TYR A 104 -16.914 4.154 -0.838 1.00 74.32 H new ATOM 0 HB2 TYR A 104 -14.918 5.782 -2.297 1.00 2.42 H new ATOM 0 HB3 TYR A 104 -14.972 4.079 -2.710 1.00 2.42 H new ATOM 0 HD1 TYR A 104 -15.977 7.015 -4.021 1.00 53.03 H new ATOM 0 HD2 TYR A 104 -17.795 3.373 -2.628 1.00 44.45 H new ATOM 0 HE1 TYR A 104 -17.733 7.232 -5.762 1.00 62.20 H new ATOM 0 HE2 TYR A 104 -19.561 3.595 -4.345 1.00 75.32 H new ATOM 0 HH TYR A 104 -20.334 4.734 -6.061 1.00 41.11 H new ATOM 1675 N ALA A 105 -13.915 3.816 0.473 1.00 33.33 N ATOM 1676 CA ALA A 105 -13.038 2.816 1.075 1.00 51.42 C ATOM 1677 C ALA A 105 -13.833 1.830 1.954 1.00 62.05 C ATOM 1678 O ALA A 105 -13.491 0.647 1.988 1.00 41.31 O ATOM 1679 CB ALA A 105 -11.976 3.540 1.893 1.00 70.24 C ATOM 0 H ALA A 105 -13.630 4.780 0.648 1.00 33.33 H new ATOM 0 HA ALA A 105 -12.564 2.227 0.290 1.00 51.42 H new ATOM 0 HB1 ALA A 105 -11.310 2.810 2.352 1.00 70.24 H new ATOM 0 HB2 ALA A 105 -11.400 4.197 1.241 1.00 70.24 H new ATOM 0 HB3 ALA A 105 -12.457 4.132 2.672 1.00 70.24 H new ATOM 1685 N TYR A 106 -14.946 2.260 2.559 1.00 61.20 N ATOM 1686 CA TYR A 106 -15.786 1.423 3.406 1.00 70.22 C ATOM 1687 C TYR A 106 -16.318 0.201 2.659 1.00 73.32 C ATOM 1688 O TYR A 106 -16.437 -0.881 3.233 1.00 74.53 O ATOM 1689 CB TYR A 106 -16.973 2.240 3.978 1.00 60.23 C ATOM 1690 CG TYR A 106 -18.311 2.081 3.253 1.00 35.33 C ATOM 1691 CD1 TYR A 106 -18.484 2.535 1.928 1.00 23.51 C ATOM 1692 CD2 TYR A 106 -19.355 1.363 3.869 1.00 42.11 C ATOM 1693 CE1 TYR A 106 -19.655 2.228 1.213 1.00 30.15 C ATOM 1694 CE2 TYR A 106 -20.531 1.059 3.161 1.00 52.20 C ATOM 1695 CZ TYR A 106 -20.677 1.464 1.817 1.00 24.31 C ATOM 1696 OH TYR A 106 -21.773 1.093 1.097 1.00 4.44 O ATOM 0 H TYR A 106 -15.289 3.216 2.469 1.00 61.20 H new ATOM 0 HA TYR A 106 -15.159 1.071 4.225 1.00 70.22 H new ATOM 0 HB2 TYR A 106 -17.113 1.958 5.022 1.00 60.23 H new ATOM 0 HB3 TYR A 106 -16.700 3.295 3.967 1.00 60.23 H new ATOM 0 HD1 TYR A 106 -17.710 3.124 1.459 1.00 23.51 H new ATOM 0 HD2 TYR A 106 -19.251 1.043 4.895 1.00 42.11 H new ATOM 0 HE1 TYR A 106 -19.773 2.578 0.198 1.00 30.15 H new ATOM 0 HE2 TYR A 106 -21.326 0.513 3.648 1.00 52.20 H new ATOM 0 HH TYR A 106 -22.377 0.571 1.666 1.00 4.44 H new ATOM 1706 N GLN A 107 -16.625 0.377 1.372 1.00 22.31 N ATOM 1707 CA GLN A 107 -17.168 -0.636 0.491 1.00 51.41 C ATOM 1708 C GLN A 107 -16.184 -1.791 0.412 1.00 10.34 C ATOM 1709 O GLN A 107 -16.550 -2.957 0.525 1.00 34.43 O ATOM 1710 CB GLN A 107 -17.548 0.023 -0.848 1.00 50.30 C ATOM 1711 CG GLN A 107 -16.527 0.005 -1.983 1.00 54.42 C ATOM 1712 CD GLN A 107 -16.985 0.730 -3.240 1.00 73.14 C ATOM 1713 OE1 GLN A 107 -18.143 0.606 -3.648 1.00 3.24 O ATOM 1714 NE2 GLN A 107 -16.107 1.490 -3.867 1.00 45.20 N ATOM 0 H GLN A 107 -16.492 1.273 0.903 1.00 22.31 H new ATOM 0 HA GLN A 107 -18.094 -1.074 0.865 1.00 51.41 H new ATOM 0 HB2 GLN A 107 -18.455 -0.461 -1.210 1.00 50.30 H new ATOM 0 HB3 GLN A 107 -17.801 1.064 -0.646 1.00 50.30 H new ATOM 0 HG2 GLN A 107 -15.600 0.459 -1.631 1.00 54.42 H new ATOM 0 HG3 GLN A 107 -16.299 -1.030 -2.236 1.00 54.42 H new ATOM 0 HE21 GLN A 107 -15.156 1.574 -3.507 1.00 45.20 H new ATOM 0 HE22 GLN A 107 -16.379 1.993 -4.711 1.00 45.20 H new ATOM 1723 N ARG A 108 -14.916 -1.429 0.258 1.00 21.41 N ATOM 1724 CA ARG A 108 -13.792 -2.355 0.169 1.00 11.23 C ATOM 1725 C ARG A 108 -13.555 -3.060 1.501 1.00 13.21 C ATOM 1726 O ARG A 108 -13.111 -4.204 1.481 1.00 20.24 O ATOM 1727 CB ARG A 108 -12.519 -1.621 -0.284 1.00 70.40 C ATOM 1728 CG ARG A 108 -12.711 -0.747 -1.532 1.00 55.01 C ATOM 1729 CD ARG A 108 -13.074 -1.625 -2.745 1.00 31.31 C ATOM 1730 NE ARG A 108 -13.335 -0.869 -3.977 1.00 53.52 N ATOM 1731 CZ ARG A 108 -12.433 -0.416 -4.853 1.00 41.44 C ATOM 1732 NH1 ARG A 108 -11.128 -0.466 -4.591 1.00 0.23 N ATOM 1733 NH2 ARG A 108 -12.841 0.076 -6.015 1.00 31.02 N ATOM 0 H ARG A 108 -14.632 -0.452 0.189 1.00 21.41 H new ATOM 0 HA ARG A 108 -14.040 -3.112 -0.576 1.00 11.23 H new ATOM 0 HB2 ARG A 108 -12.163 -0.995 0.534 1.00 70.40 H new ATOM 0 HB3 ARG A 108 -11.740 -2.357 -0.485 1.00 70.40 H new ATOM 0 HG2 ARG A 108 -13.499 -0.015 -1.355 1.00 55.01 H new ATOM 0 HG3 ARG A 108 -11.798 -0.189 -1.738 1.00 55.01 H new ATOM 0 HD2 ARG A 108 -12.261 -2.327 -2.928 1.00 31.31 H new ATOM 0 HD3 ARG A 108 -13.956 -2.216 -2.501 1.00 31.31 H new ATOM 0 HE ARG A 108 -14.313 -0.667 -4.187 1.00 53.52 H new ATOM 0 HH11 ARG A 108 -10.800 -0.856 -3.707 1.00 0.23 H new ATOM 0 HH12 ARG A 108 -10.457 -0.115 -5.274 1.00 0.23 H new ATOM 0 HH21 ARG A 108 -13.837 0.107 -6.235 1.00 31.02 H new ATOM 0 HH22 ARG A 108 -12.159 0.424 -6.689 1.00 31.02 H new ATOM 1747 N TYR A 109 -13.832 -2.410 2.637 1.00 53.34 N ATOM 1748 CA TYR A 109 -13.637 -3.042 3.932 1.00 2.01 C ATOM 1749 C TYR A 109 -14.662 -4.160 4.075 1.00 11.34 C ATOM 1750 O TYR A 109 -14.292 -5.317 4.259 1.00 70.12 O ATOM 1751 CB TYR A 109 -13.783 -1.996 5.054 1.00 54.23 C ATOM 1752 CG TYR A 109 -13.609 -2.515 6.473 1.00 65.01 C ATOM 1753 CD1 TYR A 109 -14.601 -3.326 7.061 1.00 42.10 C ATOM 1754 CD2 TYR A 109 -12.482 -2.151 7.234 1.00 43.35 C ATOM 1755 CE1 TYR A 109 -14.435 -3.843 8.355 1.00 43.41 C ATOM 1756 CE2 TYR A 109 -12.328 -2.629 8.547 1.00 32.43 C ATOM 1757 CZ TYR A 109 -13.286 -3.508 9.099 1.00 0.44 C ATOM 1758 OH TYR A 109 -13.108 -4.015 10.349 1.00 54.43 O ATOM 0 H TYR A 109 -14.188 -1.455 2.679 1.00 53.34 H new ATOM 0 HA TYR A 109 -12.635 -3.464 4.008 1.00 2.01 H new ATOM 0 HB2 TYR A 109 -13.052 -1.206 4.885 1.00 54.23 H new ATOM 0 HB3 TYR A 109 -14.770 -1.540 4.973 1.00 54.23 H new ATOM 0 HD1 TYR A 109 -15.501 -3.552 6.508 1.00 42.10 H new ATOM 0 HD2 TYR A 109 -11.732 -1.501 6.807 1.00 43.35 H new ATOM 0 HE1 TYR A 109 -15.185 -4.495 8.779 1.00 43.41 H new ATOM 0 HE2 TYR A 109 -11.475 -2.323 9.135 1.00 32.43 H new ATOM 0 HH TYR A 109 -12.264 -3.683 10.719 1.00 54.43 H new ATOM 1768 N GLN A 110 -15.944 -3.834 3.900 1.00 21.13 N ATOM 1769 CA GLN A 110 -17.022 -4.802 4.032 1.00 33.20 C ATOM 1770 C GLN A 110 -16.940 -5.924 3.013 1.00 33.11 C ATOM 1771 O GLN A 110 -17.403 -7.029 3.282 1.00 64.54 O ATOM 1772 CB GLN A 110 -18.391 -4.132 4.033 1.00 54.11 C ATOM 1773 CG GLN A 110 -18.784 -3.450 2.719 1.00 2.04 C ATOM 1774 CD GLN A 110 -20.218 -2.963 2.802 1.00 33.40 C ATOM 1775 OE1 GLN A 110 -20.556 -2.169 3.677 1.00 42.03 O ATOM 1776 NE2 GLN A 110 -21.092 -3.450 1.938 1.00 75.44 N ATOM 0 H GLN A 110 -16.258 -2.893 3.664 1.00 21.13 H new ATOM 0 HA GLN A 110 -16.890 -5.271 5.007 1.00 33.20 H new ATOM 0 HB2 GLN A 110 -19.145 -4.882 4.274 1.00 54.11 H new ATOM 0 HB3 GLN A 110 -18.414 -3.389 4.830 1.00 54.11 H new ATOM 0 HG2 GLN A 110 -18.116 -2.612 2.520 1.00 2.04 H new ATOM 0 HG3 GLN A 110 -18.675 -4.148 1.889 1.00 2.04 H new ATOM 0 HE21 GLN A 110 -20.787 -4.108 1.220 1.00 75.44 H new ATOM 0 HE22 GLN A 110 -22.071 -3.168 1.989 1.00 75.44 H new ATOM 1785 N GLU A 111 -16.379 -5.647 1.838 1.00 65.03 N ATOM 1786 CA GLU A 111 -16.259 -6.657 0.802 1.00 73.23 C ATOM 1787 C GLU A 111 -15.579 -7.913 1.339 1.00 63.00 C ATOM 1788 O GLU A 111 -16.009 -9.024 1.022 1.00 52.24 O ATOM 1789 CB GLU A 111 -15.399 -6.129 -0.365 1.00 12.34 C ATOM 1790 CG GLU A 111 -16.157 -5.519 -1.539 1.00 45.20 C ATOM 1791 CD GLU A 111 -17.288 -6.410 -2.035 1.00 3.04 C ATOM 1792 OE1 GLU A 111 -16.987 -7.508 -2.562 1.00 23.43 O ATOM 1793 OE2 GLU A 111 -18.461 -5.972 -1.933 1.00 51.02 O ATOM 0 H GLU A 111 -16.003 -4.733 1.585 1.00 65.03 H new ATOM 0 HA GLU A 111 -17.268 -6.892 0.463 1.00 73.23 H new ATOM 0 HB2 GLU A 111 -14.714 -5.378 0.027 1.00 12.34 H new ATOM 0 HB3 GLU A 111 -14.790 -6.951 -0.741 1.00 12.34 H new ATOM 0 HG2 GLU A 111 -16.565 -4.553 -1.240 1.00 45.20 H new ATOM 0 HG3 GLU A 111 -15.462 -5.332 -2.357 1.00 45.20 H new ATOM 1800 N ARG A 112 -14.502 -7.730 2.108 1.00 12.04 N ATOM 1801 CA ARG A 112 -13.710 -8.824 2.660 1.00 23.43 C ATOM 1802 C ARG A 112 -13.898 -9.091 4.152 1.00 63.23 C ATOM 1803 O ARG A 112 -14.028 -10.245 4.561 1.00 51.44 O ATOM 1804 CB ARG A 112 -12.258 -8.614 2.248 1.00 24.41 C ATOM 1805 CG ARG A 112 -12.189 -8.323 0.735 1.00 70.25 C ATOM 1806 CD ARG A 112 -10.860 -8.709 0.108 1.00 54.34 C ATOM 1807 NE ARG A 112 -10.717 -10.158 -0.119 1.00 43.11 N ATOM 1808 CZ ARG A 112 -11.302 -10.904 -1.067 1.00 74.14 C ATOM 1809 NH1 ARG A 112 -12.258 -10.415 -1.855 1.00 44.41 N ATOM 1810 NH2 ARG A 112 -10.915 -12.162 -1.238 1.00 41.43 N ATOM 0 H ARG A 112 -14.155 -6.806 2.366 1.00 12.04 H new ATOM 0 HA ARG A 112 -14.084 -9.754 2.232 1.00 23.43 H new ATOM 0 HB2 ARG A 112 -11.826 -7.785 2.809 1.00 24.41 H new ATOM 0 HB3 ARG A 112 -11.670 -9.500 2.486 1.00 24.41 H new ATOM 0 HG2 ARG A 112 -12.991 -8.863 0.231 1.00 70.25 H new ATOM 0 HG3 ARG A 112 -12.366 -7.261 0.568 1.00 70.25 H new ATOM 0 HD2 ARG A 112 -10.751 -8.188 -0.843 1.00 54.34 H new ATOM 0 HD3 ARG A 112 -10.050 -8.368 0.753 1.00 54.34 H new ATOM 0 HE ARG A 112 -10.098 -10.653 0.523 1.00 43.11 H new ATOM 0 HH11 ARG A 112 -12.564 -9.448 -1.746 1.00 44.41 H new ATOM 0 HH12 ARG A 112 -12.684 -11.007 -2.568 1.00 44.41 H new ATOM 0 HH21 ARG A 112 -10.179 -12.553 -0.651 1.00 41.43 H new ATOM 0 HH22 ARG A 112 -11.354 -12.737 -1.957 1.00 41.43 H new ATOM 1824 N TYR A 113 -13.973 -8.036 4.958 1.00 55.44 N ATOM 1825 CA TYR A 113 -14.131 -8.117 6.409 1.00 43.04 C ATOM 1826 C TYR A 113 -15.604 -8.107 6.831 1.00 53.14 C ATOM 1827 O TYR A 113 -15.890 -8.160 8.025 1.00 1.34 O ATOM 1828 CB TYR A 113 -13.374 -6.949 7.066 1.00 33.43 C ATOM 1829 CG TYR A 113 -11.910 -6.863 6.677 1.00 4.42 C ATOM 1830 CD1 TYR A 113 -11.441 -5.805 5.874 1.00 64.41 C ATOM 1831 CD2 TYR A 113 -11.027 -7.882 7.070 1.00 64.31 C ATOM 1832 CE1 TYR A 113 -10.108 -5.790 5.424 1.00 62.13 C ATOM 1833 CE2 TYR A 113 -9.692 -7.873 6.640 1.00 43.42 C ATOM 1834 CZ TYR A 113 -9.239 -6.839 5.794 1.00 34.43 C ATOM 1835 OH TYR A 113 -7.991 -6.887 5.267 1.00 43.12 O ATOM 0 H TYR A 113 -13.925 -7.077 4.613 1.00 55.44 H new ATOM 0 HA TYR A 113 -13.713 -9.066 6.745 1.00 43.04 H new ATOM 0 HB2 TYR A 113 -13.866 -6.014 6.797 1.00 33.43 H new ATOM 0 HB3 TYR A 113 -13.446 -7.047 8.149 1.00 33.43 H new ATOM 0 HD1 TYR A 113 -12.108 -5.001 5.602 1.00 64.41 H new ATOM 0 HD2 TYR A 113 -11.379 -8.679 7.708 1.00 64.31 H new ATOM 0 HE1 TYR A 113 -9.753 -4.983 4.801 1.00 62.13 H new ATOM 0 HE2 TYR A 113 -9.015 -8.653 6.955 1.00 43.42 H new ATOM 0 HH TYR A 113 -7.848 -6.106 4.692 1.00 43.12 H new ATOM 1845 N GLY A 114 -16.534 -8.056 5.877 1.00 25.22 N ATOM 1846 CA GLY A 114 -17.976 -8.053 6.078 1.00 14.33 C ATOM 1847 C GLY A 114 -18.583 -9.216 5.299 1.00 62.42 C ATOM 1848 O GLY A 114 -17.937 -10.255 5.113 1.00 35.32 O ATOM 0 H GLY A 114 -16.283 -8.013 4.889 1.00 25.22 H new ATOM 0 HA2 GLY A 114 -18.209 -8.146 7.139 1.00 14.33 H new ATOM 0 HA3 GLY A 114 -18.402 -7.109 5.740 1.00 14.33 H new ATOM 1852 N ASN A 115 -19.841 -9.085 4.885 1.00 44.01 N ATOM 1853 CA ASN A 115 -20.594 -10.078 4.122 1.00 12.10 C ATOM 1854 C ASN A 115 -21.074 -9.420 2.825 1.00 70.44 C ATOM 1855 O ASN A 115 -21.056 -8.192 2.715 1.00 75.44 O ATOM 1856 CB ASN A 115 -21.766 -10.594 4.976 1.00 15.41 C ATOM 1857 CG ASN A 115 -22.583 -11.688 4.296 1.00 65.04 C ATOM 1858 OD1 ASN A 115 -22.061 -12.491 3.524 1.00 74.02 O ATOM 1859 ND2 ASN A 115 -23.872 -11.780 4.561 1.00 25.21 N ATOM 0 H ASN A 115 -20.388 -8.247 5.081 1.00 44.01 H new ATOM 0 HA ASN A 115 -19.973 -10.937 3.867 1.00 12.10 H new ATOM 0 HB2 ASN A 115 -21.376 -10.977 5.919 1.00 15.41 H new ATOM 0 HB3 ASN A 115 -22.423 -9.759 5.218 1.00 15.41 H new ATOM 0 HD21 ASN A 115 -24.431 -12.514 4.127 1.00 25.21 H new ATOM 0 HD22 ASN A 115 -24.310 -11.117 5.200 1.00 25.21 H new ATOM 1866 N LYS A 116 -21.494 -10.211 1.835 1.00 33.03 N ATOM 1867 CA LYS A 116 -21.983 -9.708 0.553 1.00 52.21 C ATOM 1868 C LYS A 116 -23.383 -9.118 0.715 1.00 3.25 C ATOM 1869 O LYS A 116 -23.516 -8.001 1.213 1.00 72.12 O ATOM 1870 CB LYS A 116 -21.883 -10.800 -0.525 1.00 40.15 C ATOM 1871 CG LYS A 116 -20.422 -10.988 -0.954 1.00 21.44 C ATOM 1872 CD LYS A 116 -20.274 -12.119 -1.980 1.00 64.54 C ATOM 1873 CE LYS A 116 -20.535 -13.524 -1.419 1.00 31.01 C ATOM 1874 NZ LYS A 116 -19.538 -13.957 -0.420 1.00 2.53 N ATOM 0 H LYS A 116 -21.504 -11.229 1.903 1.00 33.03 H new ATOM 0 HA LYS A 116 -21.351 -8.890 0.208 1.00 52.21 H new ATOM 0 HB2 LYS A 116 -22.280 -11.739 -0.140 1.00 40.15 H new ATOM 0 HB3 LYS A 116 -22.491 -10.527 -1.388 1.00 40.15 H new ATOM 0 HG2 LYS A 116 -20.045 -10.058 -1.380 1.00 21.44 H new ATOM 0 HG3 LYS A 116 -19.811 -11.208 -0.079 1.00 21.44 H new ATOM 0 HD2 LYS A 116 -20.963 -11.937 -2.805 1.00 64.54 H new ATOM 0 HD3 LYS A 116 -19.266 -12.088 -2.394 1.00 64.54 H new ATOM 0 HE2 LYS A 116 -21.525 -13.546 -0.965 1.00 31.01 H new ATOM 0 HE3 LYS A 116 -20.546 -14.238 -2.242 1.00 31.01 H new ATOM 0 HZ1 LYS A 116 -19.775 -14.912 -0.084 1.00 2.53 H new ATOM 0 HZ2 LYS A 116 -18.593 -13.967 -0.854 1.00 2.53 H new ATOM 0 HZ3 LYS A 116 -19.542 -13.297 0.384 1.00 2.53 H new ATOM 1888 N LYS A 117 -24.426 -9.826 0.289 1.00 21.34 N ATOM 1889 CA LYS A 117 -25.817 -9.392 0.364 1.00 14.12 C ATOM 1890 C LYS A 117 -26.694 -10.649 0.356 1.00 74.24 C ATOM 1891 O LYS A 117 -26.209 -11.753 0.624 1.00 40.14 O ATOM 1892 CB LYS A 117 -26.080 -8.417 -0.809 1.00 12.34 C ATOM 1893 CG LYS A 117 -27.272 -7.462 -0.603 1.00 52.32 C ATOM 1894 CD LYS A 117 -27.302 -6.304 -1.615 1.00 72.52 C ATOM 1895 CE LYS A 117 -27.135 -6.819 -3.049 1.00 22.22 C ATOM 1896 NZ LYS A 117 -27.480 -5.818 -4.078 1.00 12.22 N ATOM 0 H LYS A 117 -24.322 -10.749 -0.132 1.00 21.34 H new ATOM 0 HA LYS A 117 -26.054 -8.845 1.277 1.00 14.12 H new ATOM 0 HB2 LYS A 117 -25.182 -7.823 -0.977 1.00 12.34 H new ATOM 0 HB3 LYS A 117 -26.251 -8.999 -1.715 1.00 12.34 H new ATOM 0 HG2 LYS A 117 -28.200 -8.028 -0.680 1.00 52.32 H new ATOM 0 HG3 LYS A 117 -27.231 -7.053 0.407 1.00 52.32 H new ATOM 0 HD2 LYS A 117 -28.245 -5.764 -1.527 1.00 72.52 H new ATOM 0 HD3 LYS A 117 -26.506 -5.595 -1.385 1.00 72.52 H new ATOM 0 HE2 LYS A 117 -26.103 -7.137 -3.194 1.00 22.22 H new ATOM 0 HE3 LYS A 117 -27.762 -7.700 -3.186 1.00 22.22 H new ATOM 0 HZ1 LYS A 117 -27.345 -6.231 -5.023 1.00 12.22 H new ATOM 0 HZ2 LYS A 117 -28.473 -5.531 -3.964 1.00 12.22 H new ATOM 0 HZ3 LYS A 117 -26.865 -4.986 -3.973 1.00 12.22 H new ATOM 1910 N SER A 118 -27.994 -10.495 0.131 1.00 22.43 N ATOM 1911 CA SER A 118 -28.981 -11.559 0.075 1.00 71.44 C ATOM 1912 C SER A 118 -28.740 -12.498 -1.119 1.00 1.21 C ATOM 1913 O SER A 118 -27.801 -12.331 -1.900 1.00 43.25 O ATOM 1914 CB SER A 118 -30.367 -10.885 0.006 1.00 25.13 C ATOM 1915 OG SER A 118 -30.366 -9.773 -0.875 1.00 71.55 O ATOM 0 H SER A 118 -28.406 -9.575 -0.025 1.00 22.43 H new ATOM 0 HA SER A 118 -28.911 -12.191 0.960 1.00 71.44 H new ATOM 0 HB2 SER A 118 -31.109 -11.611 -0.326 1.00 25.13 H new ATOM 0 HB3 SER A 118 -30.663 -10.559 1.003 1.00 25.13 H new ATOM 0 HG SER A 118 -30.904 -9.983 -1.667 1.00 71.55 H new ATOM 1921 N GLN A 119 -29.574 -13.528 -1.208 1.00 52.02 N ATOM 1922 CA GLN A 119 -29.626 -14.553 -2.231 1.00 74.30 C ATOM 1923 C GLN A 119 -31.081 -14.414 -2.637 1.00 33.13 C ATOM 1924 O GLN A 119 -31.976 -14.744 -1.859 1.00 44.51 O ATOM 1925 CB GLN A 119 -29.257 -15.933 -1.667 1.00 31.34 C ATOM 1926 CG GLN A 119 -27.768 -16.234 -1.886 1.00 44.34 C ATOM 1927 CD GLN A 119 -27.494 -16.549 -3.353 1.00 41.10 C ATOM 1928 OE1 GLN A 119 -26.990 -15.714 -4.105 1.00 15.15 O ATOM 1929 NE2 GLN A 119 -27.863 -17.735 -3.807 1.00 33.03 N ATOM 0 H GLN A 119 -30.293 -13.675 -0.500 1.00 52.02 H new ATOM 0 HA GLN A 119 -28.924 -14.451 -3.059 1.00 74.30 H new ATOM 0 HB2 GLN A 119 -29.486 -15.968 -0.602 1.00 31.34 H new ATOM 0 HB3 GLN A 119 -29.862 -16.701 -2.149 1.00 31.34 H new ATOM 0 HG2 GLN A 119 -27.169 -15.379 -1.574 1.00 44.34 H new ATOM 0 HG3 GLN A 119 -27.467 -17.078 -1.265 1.00 44.34 H new ATOM 0 HE21 GLN A 119 -28.279 -18.417 -3.173 1.00 33.03 H new ATOM 0 HE22 GLN A 119 -27.731 -17.968 -4.791 1.00 33.03 H new ATOM 1938 N ASP A 120 -31.301 -13.819 -3.801 1.00 33.12 N ATOM 1939 CA ASP A 120 -32.610 -13.527 -4.354 1.00 71.31 C ATOM 1940 C ASP A 120 -32.604 -13.697 -5.876 1.00 72.41 C ATOM 1941 O ASP A 120 -31.616 -14.147 -6.468 1.00 61.11 O ATOM 1942 CB ASP A 120 -33.001 -12.093 -3.919 1.00 64.43 C ATOM 1943 CG ASP A 120 -31.899 -11.055 -4.177 1.00 22.42 C ATOM 1944 OD1 ASP A 120 -31.555 -10.817 -5.354 1.00 34.04 O ATOM 1945 OD2 ASP A 120 -31.322 -10.514 -3.201 1.00 32.44 O ATOM 0 H ASP A 120 -30.540 -13.515 -4.408 1.00 33.12 H new ATOM 0 HA ASP A 120 -33.355 -14.227 -3.976 1.00 71.31 H new ATOM 0 HB2 ASP A 120 -33.904 -11.793 -4.451 1.00 64.43 H new ATOM 0 HB3 ASP A 120 -33.244 -12.097 -2.856 1.00 64.43 H new ATOM 1950 N LEU A 121 -33.730 -13.323 -6.492 1.00 35.44 N ATOM 1951 CA LEU A 121 -34.043 -13.375 -7.916 1.00 30.14 C ATOM 1952 C LEU A 121 -34.135 -14.834 -8.366 1.00 52.44 C ATOM 1953 O LEU A 121 -35.043 -15.542 -7.933 1.00 5.45 O ATOM 1954 CB LEU A 121 -33.117 -12.475 -8.767 1.00 41.41 C ATOM 1955 CG LEU A 121 -33.245 -10.969 -8.470 1.00 53.10 C ATOM 1956 CD1 LEU A 121 -32.125 -10.206 -9.184 1.00 3.41 C ATOM 1957 CD2 LEU A 121 -34.599 -10.404 -8.926 1.00 23.24 C ATOM 0 H LEU A 121 -34.511 -12.944 -5.956 1.00 35.44 H new ATOM 0 HA LEU A 121 -35.026 -12.936 -8.088 1.00 30.14 H new ATOM 0 HB2 LEU A 121 -32.083 -12.779 -8.602 1.00 41.41 H new ATOM 0 HB3 LEU A 121 -33.335 -12.645 -9.821 1.00 41.41 H new ATOM 0 HG LEU A 121 -33.169 -10.843 -7.390 1.00 53.10 H new ATOM 0 HD11 LEU A 121 -32.218 -9.141 -8.972 1.00 3.41 H new ATOM 0 HD12 LEU A 121 -31.158 -10.563 -8.830 1.00 3.41 H new ATOM 0 HD13 LEU A 121 -32.201 -10.370 -10.259 1.00 3.41 H new ATOM 0 HD21 LEU A 121 -34.645 -9.339 -8.697 1.00 23.24 H new ATOM 0 HD22 LEU A 121 -34.710 -10.549 -10.001 1.00 23.24 H new ATOM 0 HD23 LEU A 121 -35.404 -10.922 -8.405 1.00 23.24 H new ATOM 1969 N LYS A 122 -33.286 -15.251 -9.298 1.00 12.33 N ATOM 1970 CA LYS A 122 -33.169 -16.583 -9.881 1.00 15.43 C ATOM 1971 C LYS A 122 -31.711 -16.764 -10.265 1.00 42.32 C ATOM 1972 O LYS A 122 -31.003 -15.733 -10.296 1.00 43.21 O ATOM 1973 CB LYS A 122 -34.005 -16.723 -11.156 1.00 53.50 C ATOM 1974 CG LYS A 122 -35.523 -16.725 -10.924 1.00 24.15 C ATOM 1975 CD LYS A 122 -36.282 -16.975 -12.235 1.00 24.22 C ATOM 1976 CE LYS A 122 -36.024 -18.395 -12.767 1.00 34.14 C ATOM 1977 NZ LYS A 122 -36.667 -18.632 -14.078 1.00 2.23 N ATOM 0 H LYS A 122 -32.602 -14.610 -9.700 1.00 12.33 H new ATOM 0 HA LYS A 122 -33.520 -17.321 -9.160 1.00 15.43 H new ATOM 0 HB2 LYS A 122 -33.754 -15.905 -11.832 1.00 53.50 H new ATOM 0 HB3 LYS A 122 -33.726 -17.649 -11.659 1.00 53.50 H new ATOM 0 HG2 LYS A 122 -35.782 -17.495 -10.198 1.00 24.15 H new ATOM 0 HG3 LYS A 122 -35.830 -15.770 -10.499 1.00 24.15 H new ATOM 0 HD2 LYS A 122 -37.350 -16.834 -12.072 1.00 24.22 H new ATOM 0 HD3 LYS A 122 -35.974 -16.243 -12.982 1.00 24.22 H new ATOM 0 HE2 LYS A 122 -34.950 -18.556 -12.858 1.00 34.14 H new ATOM 0 HE3 LYS A 122 -36.396 -19.123 -12.046 1.00 34.14 H new ATOM 0 HZ1 LYS A 122 -36.464 -19.602 -14.394 1.00 2.23 H new ATOM 0 HZ2 LYS A 122 -37.695 -18.505 -13.988 1.00 2.23 H new ATOM 0 HZ3 LYS A 122 -36.294 -17.956 -14.775 1.00 2.23 H new TER 1991 LYS A 122