USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 791 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 ASN : amide:sc= 0.622 K(o=1.2,f=-0.05) USER MOD Set 1.2: A 83 ASN : amide:sc= 0.534 K(o=1.2,f=-0.05) USER MOD Set 2.1: A 71 SER OG : rot 180:sc= 0.0556 USER MOD Set 2.2: A 74 SER OG : rot 62:sc= 0.717 USER MOD Set 3.1: A 9 SER OG : rot -91:sc= 0.357 USER MOD Set 3.2: A 53 GLN : amide:sc= 0.295 K(o=0.65,f=-2.9!) USER MOD Set 4.1: A 43 THR OG1 : rot -147:sc= 1.48 USER MOD Set 4.2: A 47 THR OG1 : rot 180:sc= 1.17 USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0631 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.0605 K(o=-0.061,f=-1.2!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.35 X(o=-1.4,f=-1.8) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0133 X(o=-0.013,f=-0.14) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.97 K(o=-2,f=-2.6) USER MOD Single : A 32 LYS NZ :NH3+ 164:sc= 0.739 (180deg=0.394) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc=-0.000735 K(o=-0.00074,f=-0.82) USER MOD Single : A 42 ASN : amide:sc= -0.0648 X(o=-0.065,f=0) USER MOD Single : A 49 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.1) USER MOD Single : A 51 GLN : amide:sc= -2.59 K(o=-2.6,f=-4.2) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -156:sc= -0.114 (180deg=-0.582) USER MOD Single : A 61 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.3) USER MOD Single : A 62 MET CE :methyl 179:sc= -0.477 (180deg=-0.481) USER MOD Single : A 63 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.44) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.0234 X(o=-0.023,f=-0.17) USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= -0.0151 (180deg=-0.207) USER MOD Single : A 80 ASN : amide:sc= -0.0972 X(o=-0.097,f=-0.5) USER MOD Single : A 85 LYS NZ :NH3+ 148:sc= 0.0262 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0422 X(o=-0.042,f=-0.33) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.006 9.966 -12.454 1.00 73.33 N ATOM 2 CA GLY A 1 5.008 9.825 -11.010 1.00 31.00 C ATOM 3 C GLY A 1 6.355 9.384 -10.472 1.00 71.25 C ATOM 4 O GLY A 1 7.183 8.854 -11.213 1.00 32.01 O ATOM 0 H1 GLY A 1 5.040 10.975 -12.704 1.00 73.33 H new ATOM 0 H2 GLY A 1 5.837 9.482 -12.851 1.00 73.33 H new ATOM 0 H3 GLY A 1 4.140 9.542 -12.843 1.00 73.33 H new ATOM 0 HA2 GLY A 1 4.732 10.776 -10.555 1.00 31.00 H new ATOM 0 HA3 GLY A 1 4.248 9.100 -10.718 1.00 31.00 H new ATOM 8 N ALA A 2 6.576 9.604 -9.181 1.00 13.04 N ATOM 9 CA ALA A 2 7.831 9.225 -8.545 1.00 3.13 C ATOM 10 C ALA A 2 7.610 8.144 -7.493 1.00 34.33 C ATOM 11 O ALA A 2 6.873 8.346 -6.528 1.00 40.00 O ATOM 12 CB ALA A 2 8.495 10.443 -7.920 1.00 44.43 C ATOM 0 H ALA A 2 5.902 10.043 -8.554 1.00 13.04 H new ATOM 0 HA ALA A 2 8.490 8.819 -9.313 1.00 3.13 H new ATOM 0 HB1 ALA A 2 9.431 10.145 -7.448 1.00 44.43 H new ATOM 0 HB2 ALA A 2 8.698 11.184 -8.693 1.00 44.43 H new ATOM 0 HB3 ALA A 2 7.832 10.874 -7.170 1.00 44.43 H new ATOM 18 N GLU A 3 8.251 6.996 -7.686 1.00 61.44 N ATOM 19 CA GLU A 3 8.121 5.882 -6.754 1.00 4.12 C ATOM 20 C GLU A 3 9.222 4.850 -6.982 1.00 50.04 C ATOM 21 O GLU A 3 9.845 4.816 -8.042 1.00 63.45 O ATOM 22 CB GLU A 3 6.749 5.222 -6.901 1.00 61.31 C ATOM 23 CG GLU A 3 6.479 4.685 -8.297 1.00 33.34 C ATOM 24 CD GLU A 3 5.944 5.747 -9.237 1.00 15.11 C ATOM 25 OE1 GLU A 3 5.110 6.565 -8.794 1.00 50.00 O ATOM 26 OE2 GLU A 3 6.358 5.761 -10.415 1.00 35.22 O ATOM 0 H GLU A 3 8.866 6.813 -8.479 1.00 61.44 H new ATOM 0 HA GLU A 3 8.220 6.275 -5.742 1.00 4.12 H new ATOM 0 HB2 GLU A 3 6.670 4.404 -6.185 1.00 61.31 H new ATOM 0 HB3 GLU A 3 5.977 5.947 -6.644 1.00 61.31 H new ATOM 0 HG2 GLU A 3 7.400 4.272 -8.708 1.00 33.34 H new ATOM 0 HG3 GLU A 3 5.763 3.866 -8.235 1.00 33.34 H new ATOM 33 N GLY A 4 9.455 4.010 -5.978 1.00 64.05 N ATOM 34 CA GLY A 4 10.481 2.989 -6.089 1.00 33.13 C ATOM 35 C GLY A 4 10.123 1.915 -7.097 1.00 23.23 C ATOM 36 O GLY A 4 9.688 2.216 -8.207 1.00 12.51 O ATOM 0 H GLY A 4 8.952 4.018 -5.091 1.00 64.05 H new ATOM 0 HA2 GLY A 4 11.423 3.455 -6.378 1.00 33.13 H new ATOM 0 HA3 GLY A 4 10.639 2.529 -5.113 1.00 33.13 H new ATOM 40 N ASN A 5 10.309 0.657 -6.710 1.00 24.12 N ATOM 41 CA ASN A 5 10.005 -0.466 -7.589 1.00 65.13 C ATOM 42 C ASN A 5 10.851 -0.408 -8.858 1.00 23.13 C ATOM 43 O ASN A 5 10.334 -0.527 -9.969 1.00 31.41 O ATOM 44 CB ASN A 5 8.519 -0.468 -7.953 1.00 64.04 C ATOM 45 CG ASN A 5 8.035 -1.834 -8.398 1.00 71.53 C ATOM 46 OD1 ASN A 5 8.503 -2.862 -7.907 1.00 11.42 O ATOM 47 ND2 ASN A 5 7.092 -1.852 -9.334 1.00 25.23 N ATOM 0 H ASN A 5 10.669 0.390 -5.794 1.00 24.12 H new ATOM 0 HA ASN A 5 10.243 -1.387 -7.057 1.00 65.13 H new ATOM 0 HB2 ASN A 5 7.936 -0.142 -7.092 1.00 64.04 H new ATOM 0 HB3 ASN A 5 8.342 0.255 -8.750 1.00 64.04 H new ATOM 0 HD21 ASN A 5 6.727 -2.742 -9.673 1.00 25.23 H new ATOM 0 HD22 ASN A 5 6.733 -0.976 -9.713 1.00 25.23 H new ATOM 54 N THR A 6 12.157 -0.225 -8.684 1.00 54.43 N ATOM 55 CA THR A 6 13.075 -0.150 -9.814 1.00 34.22 C ATOM 56 C THR A 6 13.370 -1.537 -10.374 1.00 43.32 C ATOM 57 O THR A 6 14.360 -2.170 -10.003 1.00 14.32 O ATOM 58 CB THR A 6 14.401 0.524 -9.416 1.00 23.11 C ATOM 59 OG1 THR A 6 14.139 1.743 -8.711 1.00 64.34 O ATOM 60 CG2 THR A 6 15.250 0.815 -10.644 1.00 62.33 C ATOM 0 H THR A 6 12.602 -0.126 -7.772 1.00 54.43 H new ATOM 0 HA THR A 6 12.586 0.452 -10.580 1.00 34.22 H new ATOM 0 HB THR A 6 14.950 -0.159 -8.768 1.00 23.11 H new ATOM 0 HG1 THR A 6 14.987 2.165 -8.460 1.00 64.34 H new ATOM 0 HG21 THR A 6 16.182 1.291 -10.338 1.00 62.33 H new ATOM 0 HG22 THR A 6 15.472 -0.118 -11.162 1.00 62.33 H new ATOM 0 HG23 THR A 6 14.705 1.481 -11.313 1.00 62.33 H new ATOM 68 N LEU A 7 12.508 -2.004 -11.270 1.00 50.42 N ATOM 69 CA LEU A 7 12.677 -3.316 -11.883 1.00 64.54 C ATOM 70 C LEU A 7 13.955 -3.368 -12.715 1.00 71.21 C ATOM 71 O LEU A 7 14.210 -2.485 -13.534 1.00 40.03 O ATOM 72 CB LEU A 7 11.470 -3.651 -12.761 1.00 50.11 C ATOM 73 CG LEU A 7 10.289 -4.316 -12.053 1.00 0.31 C ATOM 74 CD1 LEU A 7 10.701 -5.662 -11.478 1.00 33.02 C ATOM 75 CD2 LEU A 7 9.745 -3.410 -10.958 1.00 10.20 C ATOM 0 H LEU A 7 11.685 -1.493 -11.588 1.00 50.42 H new ATOM 0 HA LEU A 7 12.754 -4.055 -11.085 1.00 64.54 H new ATOM 0 HB2 LEU A 7 11.117 -2.730 -13.226 1.00 50.11 H new ATOM 0 HB3 LEU A 7 11.802 -4.307 -13.565 1.00 50.11 H new ATOM 0 HG LEU A 7 9.498 -4.483 -12.785 1.00 0.31 H new ATOM 0 HD11 LEU A 7 9.848 -6.121 -10.978 1.00 33.02 H new ATOM 0 HD12 LEU A 7 11.042 -6.313 -12.283 1.00 33.02 H new ATOM 0 HD13 LEU A 7 11.509 -5.519 -10.760 1.00 33.02 H new ATOM 0 HD21 LEU A 7 8.905 -3.899 -10.465 1.00 10.20 H new ATOM 0 HD22 LEU A 7 10.529 -3.211 -10.227 1.00 10.20 H new ATOM 0 HD23 LEU A 7 9.411 -2.470 -11.396 1.00 10.20 H new ATOM 87 N ILE A 8 14.753 -4.409 -12.500 1.00 53.14 N ATOM 88 CA ILE A 8 16.002 -4.577 -13.233 1.00 33.13 C ATOM 89 C ILE A 8 16.155 -6.008 -13.736 1.00 25.42 C ATOM 90 O ILE A 8 15.535 -6.932 -13.209 1.00 64.33 O ATOM 91 CB ILE A 8 17.219 -4.218 -12.360 1.00 32.21 C ATOM 92 CG1 ILE A 8 17.127 -4.921 -11.004 1.00 74.30 C ATOM 93 CG2 ILE A 8 17.312 -2.711 -12.176 1.00 5.12 C ATOM 94 CD1 ILE A 8 18.474 -5.220 -10.386 1.00 23.34 C ATOM 0 H ILE A 8 14.557 -5.148 -11.825 1.00 53.14 H new ATOM 0 HA ILE A 8 15.963 -3.897 -14.084 1.00 33.13 H new ATOM 0 HB ILE A 8 18.123 -4.560 -12.864 1.00 32.21 H new ATOM 0 HG12 ILE A 8 16.552 -4.298 -10.319 1.00 74.30 H new ATOM 0 HG13 ILE A 8 16.576 -5.854 -11.124 1.00 74.30 H new ATOM 0 HG21 ILE A 8 18.177 -2.473 -11.557 1.00 5.12 H new ATOM 0 HG22 ILE A 8 17.419 -2.232 -13.149 1.00 5.12 H new ATOM 0 HG23 ILE A 8 16.407 -2.347 -11.690 1.00 5.12 H new ATOM 0 HD11 ILE A 8 18.332 -5.718 -9.427 1.00 23.34 H new ATOM 0 HD12 ILE A 8 19.044 -5.869 -11.051 1.00 23.34 H new ATOM 0 HD13 ILE A 8 19.019 -4.289 -10.234 1.00 23.34 H new ATOM 106 N SER A 9 16.988 -6.185 -14.757 1.00 54.32 N ATOM 107 CA SER A 9 17.222 -7.504 -15.333 1.00 41.43 C ATOM 108 C SER A 9 18.692 -7.895 -15.214 1.00 51.13 C ATOM 109 O SER A 9 19.567 -7.251 -15.794 1.00 14.13 O ATOM 110 CB SER A 9 16.794 -7.525 -16.802 1.00 30.41 C ATOM 111 OG SER A 9 15.386 -7.417 -16.924 1.00 64.34 O ATOM 0 H SER A 9 17.512 -5.431 -15.202 1.00 54.32 H new ATOM 0 HA SER A 9 16.625 -8.228 -14.778 1.00 41.43 H new ATOM 0 HB2 SER A 9 17.273 -6.704 -17.335 1.00 30.41 H new ATOM 0 HB3 SER A 9 17.133 -8.449 -17.270 1.00 30.41 H new ATOM 0 HG SER A 9 14.988 -8.313 -16.927 1.00 64.34 H new ATOM 117 N VAL A 10 18.956 -8.956 -14.458 1.00 41.14 N ATOM 118 CA VAL A 10 20.319 -9.435 -14.263 1.00 61.21 C ATOM 119 C VAL A 10 20.357 -10.956 -14.156 1.00 40.51 C ATOM 120 O VAL A 10 19.423 -11.576 -13.648 1.00 54.23 O ATOM 121 CB VAL A 10 20.952 -8.827 -12.998 1.00 2.53 C ATOM 122 CG1 VAL A 10 20.252 -9.342 -11.749 1.00 43.25 C ATOM 123 CG2 VAL A 10 22.442 -9.132 -12.948 1.00 53.32 C ATOM 0 H VAL A 10 18.244 -9.500 -13.971 1.00 41.14 H new ATOM 0 HA VAL A 10 20.893 -9.120 -15.135 1.00 61.21 H new ATOM 0 HB VAL A 10 20.827 -7.745 -13.035 1.00 2.53 H new ATOM 0 HG11 VAL A 10 20.713 -8.901 -10.865 1.00 43.25 H new ATOM 0 HG12 VAL A 10 19.198 -9.067 -11.783 1.00 43.25 H new ATOM 0 HG13 VAL A 10 20.343 -10.427 -11.702 1.00 43.25 H new ATOM 0 HG21 VAL A 10 22.873 -8.695 -12.047 1.00 53.32 H new ATOM 0 HG22 VAL A 10 22.592 -10.212 -12.935 1.00 53.32 H new ATOM 0 HG23 VAL A 10 22.930 -8.709 -13.826 1.00 53.32 H new ATOM 133 N ASP A 11 21.443 -11.550 -14.637 1.00 42.12 N ATOM 134 CA ASP A 11 21.604 -12.999 -14.594 1.00 45.45 C ATOM 135 C ASP A 11 22.556 -13.407 -13.474 1.00 42.32 C ATOM 136 O ASP A 11 22.987 -12.573 -12.677 1.00 51.34 O ATOM 137 CB ASP A 11 22.126 -13.515 -15.937 1.00 35.05 C ATOM 138 CG ASP A 11 21.560 -12.743 -17.113 1.00 21.53 C ATOM 139 OD1 ASP A 11 20.375 -12.352 -17.052 1.00 24.31 O ATOM 140 OD2 ASP A 11 22.302 -12.530 -18.094 1.00 5.13 O ATOM 0 H ASP A 11 22.225 -11.051 -15.061 1.00 42.12 H new ATOM 0 HA ASP A 11 20.628 -13.443 -14.397 1.00 45.45 H new ATOM 0 HB2 ASP A 11 23.214 -13.447 -15.951 1.00 35.05 H new ATOM 0 HB3 ASP A 11 21.871 -14.570 -16.042 1.00 35.05 H new ATOM 145 N TYR A 12 22.879 -14.694 -13.419 1.00 42.10 N ATOM 146 CA TYR A 12 23.777 -15.213 -12.394 1.00 60.33 C ATOM 147 C TYR A 12 24.133 -16.671 -12.670 1.00 33.23 C ATOM 148 O TYR A 12 23.299 -17.447 -13.135 1.00 52.02 O ATOM 149 CB TYR A 12 23.135 -15.086 -11.012 1.00 1.22 C ATOM 150 CG TYR A 12 21.938 -15.988 -10.815 1.00 13.23 C ATOM 151 CD1 TYR A 12 22.090 -17.279 -10.326 1.00 35.55 C ATOM 152 CD2 TYR A 12 20.655 -15.549 -11.118 1.00 71.03 C ATOM 153 CE1 TYR A 12 20.999 -18.108 -10.144 1.00 54.54 C ATOM 154 CE2 TYR A 12 19.558 -16.370 -10.939 1.00 2.50 C ATOM 155 CZ TYR A 12 19.735 -17.648 -10.452 1.00 41.10 C ATOM 156 OH TYR A 12 18.645 -18.469 -10.273 1.00 43.23 O ATOM 0 H TYR A 12 22.533 -15.397 -14.072 1.00 42.10 H new ATOM 0 HA TYR A 12 24.693 -14.623 -12.417 1.00 60.33 H new ATOM 0 HB2 TYR A 12 23.881 -15.316 -10.252 1.00 1.22 H new ATOM 0 HB3 TYR A 12 22.829 -14.051 -10.856 1.00 1.22 H new ATOM 0 HD1 TYR A 12 23.078 -17.642 -10.084 1.00 35.55 H new ATOM 0 HD2 TYR A 12 20.513 -14.549 -11.500 1.00 71.03 H new ATOM 0 HE1 TYR A 12 21.135 -19.109 -9.763 1.00 54.54 H new ATOM 0 HE2 TYR A 12 18.567 -16.013 -11.179 1.00 2.50 H new ATOM 0 HH TYR A 12 17.830 -17.993 -10.536 1.00 43.23 H new ATOM 166 N GLU A 13 25.377 -17.035 -12.377 1.00 64.25 N ATOM 167 CA GLU A 13 25.844 -18.400 -12.594 1.00 2.44 C ATOM 168 C GLU A 13 26.900 -18.784 -11.560 1.00 54.35 C ATOM 169 O GLU A 13 27.825 -18.018 -11.289 1.00 13.33 O ATOM 170 CB GLU A 13 26.418 -18.549 -14.004 1.00 52.43 C ATOM 171 CG GLU A 13 27.730 -17.811 -14.209 1.00 2.22 C ATOM 172 CD GLU A 13 28.087 -17.651 -15.674 1.00 3.42 C ATOM 173 OE1 GLU A 13 27.162 -17.475 -16.494 1.00 15.04 O ATOM 174 OE2 GLU A 13 29.291 -17.701 -16.001 1.00 23.14 O ATOM 0 H GLU A 13 26.079 -16.405 -11.989 1.00 64.25 H new ATOM 0 HA GLU A 13 24.991 -19.070 -12.484 1.00 2.44 H new ATOM 0 HB2 GLU A 13 26.570 -19.608 -14.215 1.00 52.43 H new ATOM 0 HB3 GLU A 13 25.688 -18.181 -14.725 1.00 52.43 H new ATOM 0 HG2 GLU A 13 27.665 -16.827 -13.745 1.00 2.22 H new ATOM 0 HG3 GLU A 13 28.529 -18.351 -13.701 1.00 2.22 H new ATOM 181 N ILE A 14 26.753 -19.974 -10.988 1.00 42.12 N ATOM 182 CA ILE A 14 27.693 -20.460 -9.986 1.00 2.21 C ATOM 183 C ILE A 14 28.474 -21.664 -10.502 1.00 40.54 C ATOM 184 O ILE A 14 27.919 -22.537 -11.170 1.00 25.03 O ATOM 185 CB ILE A 14 26.973 -20.850 -8.681 1.00 65.35 C ATOM 186 CG1 ILE A 14 26.474 -19.600 -7.955 1.00 5.23 C ATOM 187 CG2 ILE A 14 27.902 -21.656 -7.785 1.00 11.41 C ATOM 188 CD1 ILE A 14 25.242 -18.988 -8.582 1.00 52.53 C ATOM 0 H ILE A 14 25.992 -20.619 -11.201 1.00 42.12 H new ATOM 0 HA ILE A 14 28.385 -19.643 -9.780 1.00 2.21 H new ATOM 0 HB ILE A 14 26.112 -21.470 -8.929 1.00 65.35 H new ATOM 0 HG12 ILE A 14 26.255 -19.855 -6.918 1.00 5.23 H new ATOM 0 HG13 ILE A 14 27.271 -18.857 -7.939 1.00 5.23 H new ATOM 0 HG21 ILE A 14 27.380 -21.924 -6.867 1.00 11.41 H new ATOM 0 HG22 ILE A 14 28.212 -22.563 -8.304 1.00 11.41 H new ATOM 0 HG23 ILE A 14 28.781 -21.059 -7.541 1.00 11.41 H new ATOM 0 HD11 ILE A 14 24.945 -18.106 -8.015 1.00 52.53 H new ATOM 0 HD12 ILE A 14 25.461 -18.701 -9.610 1.00 52.53 H new ATOM 0 HD13 ILE A 14 24.430 -19.715 -8.574 1.00 52.53 H new ATOM 200 N PHE A 15 29.765 -21.704 -10.188 1.00 35.02 N ATOM 201 CA PHE A 15 30.623 -22.801 -10.619 1.00 75.42 C ATOM 202 C PHE A 15 31.165 -23.572 -9.419 1.00 73.00 C ATOM 203 O PHE A 15 31.086 -23.108 -8.282 1.00 71.14 O ATOM 204 CB PHE A 15 31.782 -22.269 -11.464 1.00 0.34 C ATOM 205 CG PHE A 15 32.379 -23.298 -12.380 1.00 21.43 C ATOM 206 CD1 PHE A 15 31.577 -24.021 -13.248 1.00 33.12 C ATOM 207 CD2 PHE A 15 33.743 -23.544 -12.372 1.00 73.12 C ATOM 208 CE1 PHE A 15 32.123 -24.969 -14.092 1.00 70.24 C ATOM 209 CE2 PHE A 15 34.295 -24.490 -13.215 1.00 34.53 C ATOM 210 CZ PHE A 15 33.484 -25.205 -14.075 1.00 13.21 C ATOM 0 H PHE A 15 30.240 -20.989 -9.637 1.00 35.02 H new ATOM 0 HA PHE A 15 30.024 -23.481 -11.224 1.00 75.42 H new ATOM 0 HB2 PHE A 15 31.430 -21.426 -12.058 1.00 0.34 H new ATOM 0 HB3 PHE A 15 32.560 -21.890 -10.801 1.00 0.34 H new ATOM 0 HD1 PHE A 15 30.512 -23.841 -13.265 1.00 33.12 H new ATOM 0 HD2 PHE A 15 34.382 -22.990 -11.700 1.00 73.12 H new ATOM 0 HE1 PHE A 15 31.486 -25.525 -14.764 1.00 70.24 H new ATOM 0 HE2 PHE A 15 35.360 -24.670 -13.201 1.00 34.53 H new ATOM 0 HZ PHE A 15 33.913 -25.947 -14.732 1.00 13.21 H new ATOM 220 N GLY A 16 31.715 -24.754 -9.681 1.00 43.44 N ATOM 221 CA GLY A 16 32.262 -25.571 -8.614 1.00 11.21 C ATOM 222 C GLY A 16 31.723 -26.987 -8.634 1.00 61.43 C ATOM 223 O GLY A 16 31.833 -27.687 -9.641 1.00 74.32 O ATOM 0 H GLY A 16 31.791 -25.160 -10.614 1.00 43.44 H new ATOM 0 HA2 GLY A 16 33.348 -25.598 -8.701 1.00 11.21 H new ATOM 0 HA3 GLY A 16 32.031 -25.111 -7.653 1.00 11.21 H new ATOM 227 N LYS A 17 31.140 -27.413 -7.519 1.00 23.14 N ATOM 228 CA LYS A 17 30.582 -28.756 -7.411 1.00 3.24 C ATOM 229 C LYS A 17 29.085 -28.748 -7.702 1.00 41.12 C ATOM 230 O LYS A 17 28.346 -29.611 -7.229 1.00 13.02 O ATOM 231 CB LYS A 17 30.838 -29.326 -6.013 1.00 54.44 C ATOM 232 CG LYS A 17 30.700 -30.836 -5.938 1.00 72.31 C ATOM 233 CD LYS A 17 32.029 -31.530 -6.184 1.00 20.42 C ATOM 234 CE LYS A 17 31.879 -33.044 -6.165 1.00 4.12 C ATOM 235 NZ LYS A 17 32.918 -33.714 -6.995 1.00 23.54 N ATOM 0 H LYS A 17 31.041 -26.847 -6.676 1.00 23.14 H new ATOM 0 HA LYS A 17 31.074 -29.388 -8.150 1.00 3.24 H new ATOM 0 HB2 LYS A 17 31.841 -29.045 -5.693 1.00 54.44 H new ATOM 0 HB3 LYS A 17 30.140 -28.870 -5.311 1.00 54.44 H new ATOM 0 HG2 LYS A 17 30.317 -31.119 -4.958 1.00 72.31 H new ATOM 0 HG3 LYS A 17 29.971 -31.173 -6.675 1.00 72.31 H new ATOM 0 HD2 LYS A 17 32.432 -31.215 -7.146 1.00 20.42 H new ATOM 0 HD3 LYS A 17 32.747 -31.225 -5.422 1.00 20.42 H new ATOM 0 HE2 LYS A 17 31.947 -33.403 -5.138 1.00 4.12 H new ATOM 0 HE3 LYS A 17 30.889 -33.316 -6.533 1.00 4.12 H new ATOM 0 HZ1 LYS A 17 32.782 -34.744 -6.956 1.00 23.54 H new ATOM 0 HZ2 LYS A 17 32.837 -33.391 -7.980 1.00 23.54 H new ATOM 0 HZ3 LYS A 17 33.862 -33.475 -6.629 1.00 23.54 H new ATOM 249 N VAL A 18 28.644 -27.769 -8.486 1.00 4.45 N ATOM 250 CA VAL A 18 27.236 -27.650 -8.842 1.00 73.24 C ATOM 251 C VAL A 18 26.818 -28.757 -9.804 1.00 15.12 C ATOM 252 O VAL A 18 25.644 -29.121 -9.873 1.00 21.55 O ATOM 253 CB VAL A 18 26.933 -26.284 -9.486 1.00 73.23 C ATOM 254 CG1 VAL A 18 27.040 -25.172 -8.454 1.00 51.25 C ATOM 255 CG2 VAL A 18 27.869 -26.028 -10.658 1.00 22.35 C ATOM 0 H VAL A 18 29.243 -27.047 -8.887 1.00 4.45 H new ATOM 0 HA VAL A 18 26.666 -27.741 -7.917 1.00 73.24 H new ATOM 0 HB VAL A 18 25.911 -26.299 -9.864 1.00 73.23 H new ATOM 0 HG11 VAL A 18 26.823 -24.214 -8.927 1.00 51.25 H new ATOM 0 HG12 VAL A 18 26.325 -25.351 -7.651 1.00 51.25 H new ATOM 0 HG13 VAL A 18 28.049 -25.153 -8.043 1.00 51.25 H new ATOM 0 HG21 VAL A 18 27.641 -25.059 -11.101 1.00 22.35 H new ATOM 0 HG22 VAL A 18 28.901 -26.033 -10.307 1.00 22.35 H new ATOM 0 HG23 VAL A 18 27.737 -26.809 -11.407 1.00 22.35 H new ATOM 265 N GLN A 19 27.786 -29.287 -10.544 1.00 33.51 N ATOM 266 CA GLN A 19 27.517 -30.353 -11.502 1.00 63.31 C ATOM 267 C GLN A 19 27.604 -31.721 -10.833 1.00 62.23 C ATOM 268 O GLN A 19 28.182 -31.861 -9.756 1.00 35.00 O ATOM 269 CB GLN A 19 28.504 -30.279 -12.669 1.00 33.21 C ATOM 270 CG GLN A 19 27.937 -30.802 -13.979 1.00 32.11 C ATOM 271 CD GLN A 19 28.201 -32.281 -14.180 1.00 35.43 C ATOM 272 OE1 GLN A 19 27.279 -33.060 -14.427 1.00 63.12 O ATOM 273 NE2 GLN A 19 29.464 -32.678 -14.074 1.00 54.53 N ATOM 0 H GLN A 19 28.763 -28.996 -10.499 1.00 33.51 H new ATOM 0 HA GLN A 19 26.504 -30.219 -11.882 1.00 63.31 H new ATOM 0 HB2 GLN A 19 28.816 -29.243 -12.805 1.00 33.21 H new ATOM 0 HB3 GLN A 19 29.397 -30.850 -12.415 1.00 33.21 H new ATOM 0 HG2 GLN A 19 26.862 -30.622 -14.003 1.00 32.11 H new ATOM 0 HG3 GLN A 19 28.372 -30.243 -14.808 1.00 32.11 H new ATOM 0 HE21 GLN A 19 30.197 -31.999 -13.868 1.00 54.53 H new ATOM 0 HE22 GLN A 19 29.701 -33.662 -14.198 1.00 54.53 H new ATOM 282 N GLY A 20 27.026 -32.729 -11.480 1.00 51.21 N ATOM 283 CA GLY A 20 27.049 -34.072 -10.933 1.00 30.54 C ATOM 284 C GLY A 20 26.242 -34.192 -9.655 1.00 5.23 C ATOM 285 O GLY A 20 26.431 -35.128 -8.878 1.00 3.12 O ATOM 0 H GLY A 20 26.542 -32.639 -12.373 1.00 51.21 H new ATOM 0 HA2 GLY A 20 26.657 -34.769 -11.673 1.00 30.54 H new ATOM 0 HA3 GLY A 20 28.081 -34.363 -10.736 1.00 30.54 H new ATOM 289 N VAL A 21 25.341 -33.240 -9.435 1.00 1.15 N ATOM 290 CA VAL A 21 24.503 -33.242 -8.241 1.00 41.34 C ATOM 291 C VAL A 21 23.069 -32.847 -8.576 1.00 61.24 C ATOM 292 O VAL A 21 22.722 -32.658 -9.742 1.00 61.25 O ATOM 293 CB VAL A 21 25.051 -32.281 -7.169 1.00 60.32 C ATOM 294 CG1 VAL A 21 26.489 -32.634 -6.821 1.00 43.43 C ATOM 295 CG2 VAL A 21 24.946 -30.839 -7.642 1.00 62.45 C ATOM 0 H VAL A 21 25.172 -32.458 -10.067 1.00 1.15 H new ATOM 0 HA VAL A 21 24.515 -34.258 -7.847 1.00 41.34 H new ATOM 0 HB VAL A 21 24.448 -32.388 -6.267 1.00 60.32 H new ATOM 0 HG11 VAL A 21 26.859 -31.945 -6.062 1.00 43.43 H new ATOM 0 HG12 VAL A 21 26.531 -33.653 -6.437 1.00 43.43 H new ATOM 0 HG13 VAL A 21 27.109 -32.558 -7.714 1.00 43.43 H new ATOM 0 HG21 VAL A 21 25.338 -30.174 -6.872 1.00 62.45 H new ATOM 0 HG22 VAL A 21 25.523 -30.714 -8.558 1.00 62.45 H new ATOM 0 HG23 VAL A 21 23.901 -30.595 -7.835 1.00 62.45 H new ATOM 305 N PHE A 22 22.239 -32.724 -7.546 1.00 1.11 N ATOM 306 CA PHE A 22 20.841 -32.352 -7.730 1.00 42.15 C ATOM 307 C PHE A 22 20.685 -30.835 -7.785 1.00 33.11 C ATOM 308 O PHE A 22 20.773 -30.154 -6.763 1.00 52.43 O ATOM 309 CB PHE A 22 19.985 -32.924 -6.598 1.00 65.04 C ATOM 310 CG PHE A 22 20.146 -34.406 -6.416 1.00 24.14 C ATOM 311 CD1 PHE A 22 19.814 -35.283 -7.435 1.00 63.43 C ATOM 312 CD2 PHE A 22 20.629 -34.922 -5.224 1.00 21.13 C ATOM 313 CE1 PHE A 22 19.961 -36.648 -7.271 1.00 5.15 C ATOM 314 CE2 PHE A 22 20.779 -36.285 -5.053 1.00 72.43 C ATOM 315 CZ PHE A 22 20.443 -37.149 -6.077 1.00 65.44 C ATOM 0 H PHE A 22 22.510 -32.877 -6.575 1.00 1.11 H new ATOM 0 HA PHE A 22 20.502 -32.769 -8.678 1.00 42.15 H new ATOM 0 HB2 PHE A 22 20.245 -32.421 -5.667 1.00 65.04 H new ATOM 0 HB3 PHE A 22 18.937 -32.702 -6.798 1.00 65.04 H new ATOM 0 HD1 PHE A 22 19.436 -34.896 -8.370 1.00 63.43 H new ATOM 0 HD2 PHE A 22 20.891 -34.251 -4.419 1.00 21.13 H new ATOM 0 HE1 PHE A 22 19.700 -37.321 -8.074 1.00 5.15 H new ATOM 0 HE2 PHE A 22 21.158 -36.674 -4.120 1.00 72.43 H new ATOM 0 HZ PHE A 22 20.557 -38.215 -5.944 1.00 65.44 H new ATOM 325 N PHE A 23 20.453 -30.313 -8.985 1.00 15.14 N ATOM 326 CA PHE A 23 20.285 -28.877 -9.174 1.00 2.31 C ATOM 327 C PHE A 23 19.128 -28.585 -10.124 1.00 54.42 C ATOM 328 O PHE A 23 18.482 -29.501 -10.634 1.00 24.04 O ATOM 329 CB PHE A 23 21.575 -28.259 -9.718 1.00 52.21 C ATOM 330 CG PHE A 23 21.846 -28.605 -11.154 1.00 61.31 C ATOM 331 CD1 PHE A 23 22.120 -29.912 -11.525 1.00 53.14 C ATOM 332 CD2 PHE A 23 21.827 -27.625 -12.133 1.00 10.32 C ATOM 333 CE1 PHE A 23 22.370 -30.233 -12.846 1.00 65.21 C ATOM 334 CE2 PHE A 23 22.077 -27.940 -13.455 1.00 75.22 C ATOM 335 CZ PHE A 23 22.348 -29.246 -13.812 1.00 74.43 C ATOM 0 H PHE A 23 20.377 -30.863 -9.841 1.00 15.14 H new ATOM 0 HA PHE A 23 20.057 -28.432 -8.205 1.00 2.31 H new ATOM 0 HB2 PHE A 23 21.519 -27.175 -9.618 1.00 52.21 H new ATOM 0 HB3 PHE A 23 22.414 -28.593 -9.108 1.00 52.21 H new ATOM 0 HD1 PHE A 23 22.138 -30.688 -10.774 1.00 53.14 H new ATOM 0 HD2 PHE A 23 21.614 -26.602 -11.860 1.00 10.32 H new ATOM 0 HE1 PHE A 23 22.582 -31.255 -13.123 1.00 65.21 H new ATOM 0 HE2 PHE A 23 22.060 -27.166 -14.208 1.00 75.22 H new ATOM 0 HZ PHE A 23 22.542 -29.495 -14.845 1.00 74.43 H new ATOM 345 N ARG A 24 18.870 -27.302 -10.357 1.00 45.32 N ATOM 346 CA ARG A 24 17.790 -26.888 -11.244 1.00 40.13 C ATOM 347 C ARG A 24 16.436 -27.329 -10.695 1.00 4.32 C ATOM 348 O ARG A 24 15.438 -27.347 -11.415 1.00 12.33 O ATOM 349 CB ARG A 24 17.999 -27.470 -12.643 1.00 72.43 C ATOM 350 CG ARG A 24 17.130 -26.823 -13.709 1.00 14.43 C ATOM 351 CD ARG A 24 17.625 -27.152 -15.108 1.00 61.01 C ATOM 352 NE ARG A 24 17.909 -28.576 -15.267 1.00 51.22 N ATOM 353 CZ ARG A 24 18.617 -29.076 -16.274 1.00 34.12 C ATOM 354 NH1 ARG A 24 19.110 -28.272 -17.205 1.00 63.25 N ATOM 355 NH2 ARG A 24 18.832 -30.383 -16.350 1.00 23.23 N ATOM 0 H ARG A 24 19.395 -26.531 -9.943 1.00 45.32 H new ATOM 0 HA ARG A 24 17.801 -25.800 -11.305 1.00 40.13 H new ATOM 0 HB2 ARG A 24 19.047 -27.356 -12.922 1.00 72.43 H new ATOM 0 HB3 ARG A 24 17.791 -28.540 -12.617 1.00 72.43 H new ATOM 0 HG2 ARG A 24 16.101 -27.164 -13.597 1.00 14.43 H new ATOM 0 HG3 ARG A 24 17.125 -25.742 -13.569 1.00 14.43 H new ATOM 0 HD2 ARG A 24 16.875 -26.848 -15.839 1.00 61.01 H new ATOM 0 HD3 ARG A 24 18.527 -26.577 -15.318 1.00 61.01 H new ATOM 0 HE ARG A 24 17.544 -29.222 -14.567 1.00 51.22 H new ATOM 0 HH11 ARG A 24 18.946 -27.267 -17.150 1.00 63.25 H new ATOM 0 HH12 ARG A 24 19.653 -28.658 -17.977 1.00 63.25 H new ATOM 0 HH21 ARG A 24 18.454 -31.004 -15.635 1.00 23.23 H new ATOM 0 HH22 ARG A 24 19.376 -30.766 -17.123 1.00 23.23 H new ATOM 369 N LYS A 25 16.411 -27.684 -9.415 1.00 33.41 N ATOM 370 CA LYS A 25 15.181 -28.125 -8.767 1.00 51.22 C ATOM 371 C LYS A 25 14.905 -27.306 -7.510 1.00 74.02 C ATOM 372 O LYS A 25 13.754 -26.996 -7.200 1.00 0.23 O ATOM 373 CB LYS A 25 15.271 -29.610 -8.411 1.00 64.43 C ATOM 374 CG LYS A 25 13.972 -30.188 -7.877 1.00 61.24 C ATOM 375 CD LYS A 25 14.105 -31.671 -7.571 1.00 41.44 C ATOM 376 CE LYS A 25 12.918 -32.183 -6.771 1.00 31.24 C ATOM 377 NZ LYS A 25 12.984 -33.656 -6.561 1.00 65.01 N ATOM 0 H LYS A 25 17.229 -27.675 -8.805 1.00 33.41 H new ATOM 0 HA LYS A 25 14.358 -27.975 -9.466 1.00 51.22 H new ATOM 0 HB2 LYS A 25 15.571 -30.170 -9.297 1.00 64.43 H new ATOM 0 HB3 LYS A 25 16.054 -29.749 -7.666 1.00 64.43 H new ATOM 0 HG2 LYS A 25 13.680 -29.654 -6.973 1.00 61.24 H new ATOM 0 HG3 LYS A 25 13.178 -30.036 -8.608 1.00 61.24 H new ATOM 0 HD2 LYS A 25 14.185 -32.230 -8.503 1.00 41.44 H new ATOM 0 HD3 LYS A 25 15.025 -31.848 -7.013 1.00 41.44 H new ATOM 0 HE2 LYS A 25 12.887 -31.680 -5.805 1.00 31.24 H new ATOM 0 HE3 LYS A 25 11.994 -31.931 -7.291 1.00 31.24 H new ATOM 0 HZ1 LYS A 25 12.157 -33.966 -6.012 1.00 65.01 H new ATOM 0 HZ2 LYS A 25 12.988 -34.138 -7.482 1.00 65.01 H new ATOM 0 HZ3 LYS A 25 13.853 -33.894 -6.042 1.00 65.01 H new ATOM 391 N HIS A 26 15.967 -26.958 -6.791 1.00 12.50 N ATOM 392 CA HIS A 26 15.838 -26.172 -5.568 1.00 62.45 C ATOM 393 C HIS A 26 15.855 -24.678 -5.878 1.00 21.51 C ATOM 394 O HIS A 26 15.407 -23.861 -5.073 1.00 74.31 O ATOM 395 CB HIS A 26 16.966 -26.516 -4.595 1.00 63.33 C ATOM 396 CG HIS A 26 16.574 -26.391 -3.155 1.00 70.13 C ATOM 397 ND1 HIS A 26 15.520 -27.084 -2.600 1.00 34.55 N ATOM 398 CD2 HIS A 26 17.103 -25.648 -2.155 1.00 31.40 C ATOM 399 CE1 HIS A 26 15.416 -26.772 -1.320 1.00 72.31 C ATOM 400 NE2 HIS A 26 16.365 -25.903 -1.025 1.00 43.10 N ATOM 0 H HIS A 26 16.926 -27.207 -7.033 1.00 12.50 H new ATOM 0 HA HIS A 26 14.882 -26.418 -5.106 1.00 62.45 H new ATOM 0 HB2 HIS A 26 17.300 -27.536 -4.785 1.00 63.33 H new ATOM 0 HB3 HIS A 26 17.815 -25.861 -4.790 1.00 63.33 H new ATOM 0 HD2 HIS A 26 17.948 -24.979 -2.231 1.00 31.40 H new ATOM 0 HE1 HIS A 26 14.680 -27.162 -0.632 1.00 72.31 H new ATOM 0 HE2 HIS A 26 16.524 -25.488 -0.107 1.00 43.10 H new ATOM 408 N THR A 27 16.376 -24.327 -7.050 1.00 23.45 N ATOM 409 CA THR A 27 16.454 -22.933 -7.464 1.00 55.55 C ATOM 410 C THR A 27 15.086 -22.408 -7.886 1.00 12.42 C ATOM 411 O THR A 27 14.837 -21.203 -7.853 1.00 40.13 O ATOM 412 CB THR A 27 17.443 -22.747 -8.630 1.00 63.11 C ATOM 413 OG1 THR A 27 18.755 -23.157 -8.228 1.00 44.55 O ATOM 414 CG2 THR A 27 17.477 -21.296 -9.086 1.00 74.32 C ATOM 0 H THR A 27 16.750 -24.990 -7.729 1.00 23.45 H new ATOM 0 HA THR A 27 16.809 -22.367 -6.602 1.00 55.55 H new ATOM 0 HB THR A 27 17.108 -23.364 -9.464 1.00 63.11 H new ATOM 0 HG1 THR A 27 19.378 -23.038 -8.975 1.00 44.55 H new ATOM 0 HG21 THR A 27 18.183 -21.190 -9.910 1.00 74.32 H new ATOM 0 HG22 THR A 27 16.483 -20.996 -9.418 1.00 74.32 H new ATOM 0 HG23 THR A 27 17.790 -20.661 -8.257 1.00 74.32 H new ATOM 422 N GLN A 28 14.203 -23.320 -8.280 1.00 51.52 N ATOM 423 CA GLN A 28 12.860 -22.947 -8.708 1.00 13.21 C ATOM 424 C GLN A 28 11.957 -22.689 -7.506 1.00 24.44 C ATOM 425 O GLN A 28 10.953 -21.987 -7.611 1.00 14.24 O ATOM 426 CB GLN A 28 12.258 -24.045 -9.586 1.00 62.22 C ATOM 427 CG GLN A 28 10.803 -23.802 -9.953 1.00 61.22 C ATOM 428 CD GLN A 28 10.187 -24.968 -10.702 1.00 4.05 C ATOM 429 OE1 GLN A 28 9.738 -24.823 -11.839 1.00 3.02 O ATOM 430 NE2 GLN A 28 10.163 -26.134 -10.066 1.00 3.53 N ATOM 0 H GLN A 28 14.393 -24.322 -8.312 1.00 51.52 H new ATOM 0 HA GLN A 28 12.934 -22.027 -9.288 1.00 13.21 H new ATOM 0 HB2 GLN A 28 12.845 -24.130 -10.500 1.00 62.22 H new ATOM 0 HB3 GLN A 28 12.338 -24.999 -9.066 1.00 62.22 H new ATOM 0 HG2 GLN A 28 10.230 -23.615 -9.045 1.00 61.22 H new ATOM 0 HG3 GLN A 28 10.732 -22.903 -10.566 1.00 61.22 H new ATOM 0 HE21 GLN A 28 10.547 -26.209 -9.124 1.00 3.53 H new ATOM 0 HE22 GLN A 28 9.761 -26.954 -10.520 1.00 3.53 H new ATOM 439 N ALA A 29 12.323 -23.263 -6.364 1.00 72.51 N ATOM 440 CA ALA A 29 11.547 -23.095 -5.142 1.00 2.24 C ATOM 441 C ALA A 29 12.171 -22.037 -4.237 1.00 53.14 C ATOM 442 O ALA A 29 11.463 -21.268 -3.588 1.00 30.02 O ATOM 443 CB ALA A 29 11.430 -24.420 -4.404 1.00 23.25 C ATOM 0 H ALA A 29 13.152 -23.848 -6.260 1.00 72.51 H new ATOM 0 HA ALA A 29 10.548 -22.757 -5.419 1.00 2.24 H new ATOM 0 HB1 ALA A 29 10.848 -24.279 -3.493 1.00 23.25 H new ATOM 0 HB2 ALA A 29 10.933 -25.150 -5.043 1.00 23.25 H new ATOM 0 HB3 ALA A 29 12.425 -24.782 -4.146 1.00 23.25 H new ATOM 449 N GLU A 30 13.499 -22.005 -4.201 1.00 2.33 N ATOM 450 CA GLU A 30 14.217 -21.041 -3.374 1.00 73.31 C ATOM 451 C GLU A 30 14.485 -19.753 -4.148 1.00 35.52 C ATOM 452 O GLU A 30 14.840 -18.729 -3.566 1.00 73.40 O ATOM 453 CB GLU A 30 15.537 -21.639 -2.885 1.00 24.31 C ATOM 454 CG GLU A 30 15.986 -21.103 -1.536 1.00 12.31 C ATOM 455 CD GLU A 30 17.490 -21.170 -1.352 1.00 15.21 C ATOM 456 OE1 GLU A 30 18.220 -20.908 -2.330 1.00 72.13 O ATOM 457 OE2 GLU A 30 17.936 -21.484 -0.228 1.00 54.15 O ATOM 0 H GLU A 30 14.099 -22.634 -4.734 1.00 2.33 H new ATOM 0 HA GLU A 30 13.593 -20.804 -2.513 1.00 73.31 H new ATOM 0 HB2 GLU A 30 15.433 -22.722 -2.820 1.00 24.31 H new ATOM 0 HB3 GLU A 30 16.313 -21.437 -3.623 1.00 24.31 H new ATOM 0 HG2 GLU A 30 15.657 -20.069 -1.432 1.00 12.31 H new ATOM 0 HG3 GLU A 30 15.501 -21.673 -0.743 1.00 12.31 H new ATOM 464 N GLY A 31 14.312 -19.814 -5.465 1.00 32.32 N ATOM 465 CA GLY A 31 14.540 -18.648 -6.297 1.00 54.35 C ATOM 466 C GLY A 31 13.353 -17.705 -6.312 1.00 13.01 C ATOM 467 O GLY A 31 13.518 -16.485 -6.295 1.00 65.15 O ATOM 0 H GLY A 31 14.018 -20.650 -5.970 1.00 32.32 H new ATOM 0 HA2 GLY A 31 15.419 -18.114 -5.936 1.00 54.35 H new ATOM 0 HA3 GLY A 31 14.758 -18.969 -7.316 1.00 54.35 H new ATOM 471 N LYS A 32 12.151 -18.270 -6.344 1.00 74.24 N ATOM 472 CA LYS A 32 10.930 -17.473 -6.362 1.00 10.13 C ATOM 473 C LYS A 32 10.933 -16.448 -5.232 1.00 23.32 C ATOM 474 O LYS A 32 10.356 -15.368 -5.357 1.00 74.31 O ATOM 475 CB LYS A 32 9.703 -18.379 -6.239 1.00 53.13 C ATOM 476 CG LYS A 32 9.472 -18.904 -4.833 1.00 24.31 C ATOM 477 CD LYS A 32 8.202 -19.733 -4.748 1.00 73.14 C ATOM 478 CE LYS A 32 8.466 -21.194 -5.079 1.00 40.00 C ATOM 479 NZ LYS A 32 8.765 -21.994 -3.859 1.00 12.42 N ATOM 0 H LYS A 32 11.996 -19.278 -6.358 1.00 74.24 H new ATOM 0 HA LYS A 32 10.887 -16.941 -7.312 1.00 10.13 H new ATOM 0 HB2 LYS A 32 8.820 -17.826 -6.561 1.00 53.13 H new ATOM 0 HB3 LYS A 32 9.816 -19.223 -6.919 1.00 53.13 H new ATOM 0 HG2 LYS A 32 10.324 -19.510 -4.526 1.00 24.31 H new ATOM 0 HG3 LYS A 32 9.408 -18.067 -4.137 1.00 24.31 H new ATOM 0 HD2 LYS A 32 7.783 -19.656 -3.745 1.00 73.14 H new ATOM 0 HD3 LYS A 32 7.458 -19.332 -5.436 1.00 73.14 H new ATOM 0 HE2 LYS A 32 7.597 -21.614 -5.585 1.00 40.00 H new ATOM 0 HE3 LYS A 32 9.304 -21.263 -5.773 1.00 40.00 H new ATOM 0 HZ1 LYS A 32 8.672 -23.007 -4.076 1.00 12.42 H new ATOM 0 HZ2 LYS A 32 9.736 -21.796 -3.543 1.00 12.42 H new ATOM 0 HZ3 LYS A 32 8.096 -21.739 -3.104 1.00 12.42 H new ATOM 493 N LYS A 33 11.589 -16.793 -4.129 1.00 33.04 N ATOM 494 CA LYS A 33 11.670 -15.903 -2.977 1.00 3.23 C ATOM 495 C LYS A 33 12.153 -14.517 -3.393 1.00 53.02 C ATOM 496 O LYS A 33 11.748 -13.508 -2.815 1.00 12.43 O ATOM 497 CB LYS A 33 12.612 -16.486 -1.921 1.00 30.31 C ATOM 498 CG LYS A 33 11.895 -17.000 -0.684 1.00 5.51 C ATOM 499 CD LYS A 33 12.655 -18.144 -0.034 1.00 73.45 C ATOM 500 CE LYS A 33 13.797 -17.636 0.831 1.00 1.52 C ATOM 501 NZ LYS A 33 14.588 -18.752 1.418 1.00 21.33 N ATOM 0 H LYS A 33 12.072 -17.683 -4.009 1.00 33.04 H new ATOM 0 HA LYS A 33 10.671 -15.809 -2.552 1.00 3.23 H new ATOM 0 HB2 LYS A 33 13.182 -17.302 -2.365 1.00 30.31 H new ATOM 0 HB3 LYS A 33 13.329 -15.721 -1.624 1.00 30.31 H new ATOM 0 HG2 LYS A 33 11.776 -16.187 0.033 1.00 5.51 H new ATOM 0 HG3 LYS A 33 10.894 -17.335 -0.955 1.00 5.51 H new ATOM 0 HD2 LYS A 33 11.972 -18.736 0.575 1.00 73.45 H new ATOM 0 HD3 LYS A 33 13.049 -18.805 -0.806 1.00 73.45 H new ATOM 0 HE2 LYS A 33 14.452 -17.003 0.232 1.00 1.52 H new ATOM 0 HE3 LYS A 33 13.397 -17.014 1.632 1.00 1.52 H new ATOM 0 HZ1 LYS A 33 15.357 -18.364 2.001 1.00 21.33 H new ATOM 0 HZ2 LYS A 33 13.969 -19.342 2.010 1.00 21.33 H new ATOM 0 HZ3 LYS A 33 14.991 -19.331 0.654 1.00 21.33 H new ATOM 515 N LEU A 34 13.018 -14.475 -4.400 1.00 41.21 N ATOM 516 CA LEU A 34 13.555 -13.212 -4.895 1.00 53.15 C ATOM 517 C LEU A 34 13.446 -13.132 -6.415 1.00 34.52 C ATOM 518 O LEU A 34 14.101 -12.309 -7.052 1.00 73.02 O ATOM 519 CB LEU A 34 15.015 -13.053 -4.469 1.00 30.04 C ATOM 520 CG LEU A 34 15.247 -12.481 -3.070 1.00 32.25 C ATOM 521 CD1 LEU A 34 14.616 -11.103 -2.945 1.00 1.00 C ATOM 522 CD2 LEU A 34 14.691 -13.422 -2.010 1.00 43.31 C ATOM 0 H LEU A 34 13.363 -15.301 -4.890 1.00 41.21 H new ATOM 0 HA LEU A 34 12.967 -12.402 -4.463 1.00 53.15 H new ATOM 0 HB2 LEU A 34 15.497 -14.029 -4.525 1.00 30.04 H new ATOM 0 HB3 LEU A 34 15.515 -12.408 -5.191 1.00 30.04 H new ATOM 0 HG LEU A 34 16.321 -12.382 -2.913 1.00 32.25 H new ATOM 0 HD11 LEU A 34 14.791 -10.712 -1.943 1.00 1.00 H new ATOM 0 HD12 LEU A 34 15.060 -10.431 -3.679 1.00 1.00 H new ATOM 0 HD13 LEU A 34 13.543 -11.177 -3.123 1.00 1.00 H new ATOM 0 HD21 LEU A 34 14.865 -12.999 -1.021 1.00 43.31 H new ATOM 0 HD22 LEU A 34 13.620 -13.553 -2.165 1.00 43.31 H new ATOM 0 HD23 LEU A 34 15.189 -14.389 -2.084 1.00 43.31 H new ATOM 534 N GLY A 35 12.611 -13.994 -6.989 1.00 41.21 N ATOM 535 CA GLY A 35 12.430 -14.003 -8.429 1.00 33.11 C ATOM 536 C GLY A 35 11.021 -14.391 -8.833 1.00 63.43 C ATOM 537 O GLY A 35 10.763 -15.544 -9.183 1.00 41.22 O ATOM 0 H GLY A 35 12.058 -14.685 -6.483 1.00 41.21 H new ATOM 0 HA2 GLY A 35 12.660 -13.015 -8.827 1.00 33.11 H new ATOM 0 HA3 GLY A 35 13.138 -14.700 -8.877 1.00 33.11 H new ATOM 541 N LEU A 36 10.107 -13.429 -8.784 1.00 40.13 N ATOM 542 CA LEU A 36 8.716 -13.676 -9.147 1.00 72.01 C ATOM 543 C LEU A 36 8.620 -14.343 -10.515 1.00 61.14 C ATOM 544 O LEU A 36 7.690 -15.103 -10.784 1.00 35.14 O ATOM 545 CB LEU A 36 7.928 -12.365 -9.150 1.00 43.41 C ATOM 546 CG LEU A 36 7.472 -11.852 -7.783 1.00 64.34 C ATOM 547 CD1 LEU A 36 7.354 -10.336 -7.794 1.00 73.21 C ATOM 548 CD2 LEU A 36 6.148 -12.490 -7.389 1.00 61.15 C ATOM 0 H LEU A 36 10.304 -12.470 -8.496 1.00 40.13 H new ATOM 0 HA LEU A 36 8.287 -14.349 -8.404 1.00 72.01 H new ATOM 0 HB2 LEU A 36 8.543 -11.596 -9.618 1.00 43.41 H new ATOM 0 HB3 LEU A 36 7.047 -12.495 -9.779 1.00 43.41 H new ATOM 0 HG LEU A 36 8.221 -12.131 -7.042 1.00 64.34 H new ATOM 0 HD11 LEU A 36 7.029 -9.989 -6.813 1.00 73.21 H new ATOM 0 HD12 LEU A 36 8.323 -9.897 -8.031 1.00 73.21 H new ATOM 0 HD13 LEU A 36 6.625 -10.033 -8.546 1.00 73.21 H new ATOM 0 HD21 LEU A 36 5.839 -12.114 -6.414 1.00 61.15 H new ATOM 0 HD22 LEU A 36 5.389 -12.242 -8.131 1.00 61.15 H new ATOM 0 HD23 LEU A 36 6.266 -13.572 -7.339 1.00 61.15 H new ATOM 560 N VAL A 37 9.590 -14.055 -11.378 1.00 31.03 N ATOM 561 CA VAL A 37 9.617 -14.629 -12.718 1.00 22.45 C ATOM 562 C VAL A 37 11.049 -14.862 -13.187 1.00 31.45 C ATOM 563 O VAL A 37 11.948 -14.079 -12.883 1.00 71.41 O ATOM 564 CB VAL A 37 8.898 -13.721 -13.732 1.00 74.23 C ATOM 565 CG1 VAL A 37 7.395 -13.744 -13.498 1.00 11.44 C ATOM 566 CG2 VAL A 37 9.437 -12.301 -13.652 1.00 31.03 C ATOM 0 H VAL A 37 10.367 -13.427 -11.173 1.00 31.03 H new ATOM 0 HA VAL A 37 9.095 -15.585 -12.664 1.00 22.45 H new ATOM 0 HB VAL A 37 9.091 -14.102 -14.735 1.00 74.23 H new ATOM 0 HG11 VAL A 37 6.904 -13.096 -14.224 1.00 11.44 H new ATOM 0 HG12 VAL A 37 7.025 -14.763 -13.611 1.00 11.44 H new ATOM 0 HG13 VAL A 37 7.178 -13.389 -12.490 1.00 11.44 H new ATOM 0 HG21 VAL A 37 8.917 -11.673 -14.376 1.00 31.03 H new ATOM 0 HG22 VAL A 37 9.277 -11.907 -12.648 1.00 31.03 H new ATOM 0 HG23 VAL A 37 10.504 -12.304 -13.874 1.00 31.03 H new ATOM 576 N GLY A 38 11.254 -15.946 -13.930 1.00 13.13 N ATOM 577 CA GLY A 38 12.579 -16.263 -14.430 1.00 34.04 C ATOM 578 C GLY A 38 12.690 -17.697 -14.909 1.00 12.24 C ATOM 579 O GLY A 38 11.691 -18.313 -15.281 1.00 42.33 O ATOM 0 H GLY A 38 10.526 -16.610 -14.194 1.00 13.13 H new ATOM 0 HA2 GLY A 38 12.825 -15.589 -15.250 1.00 34.04 H new ATOM 0 HA3 GLY A 38 13.312 -16.088 -13.643 1.00 34.04 H new ATOM 583 N TRP A 39 13.907 -18.229 -14.900 1.00 54.35 N ATOM 584 CA TRP A 39 14.144 -19.599 -15.339 1.00 64.24 C ATOM 585 C TRP A 39 15.594 -20.005 -15.096 1.00 33.13 C ATOM 586 O TRP A 39 16.458 -19.156 -14.879 1.00 3.03 O ATOM 587 CB TRP A 39 13.803 -19.748 -16.823 1.00 13.11 C ATOM 588 CG TRP A 39 14.750 -19.019 -17.727 1.00 3.23 C ATOM 589 CD1 TRP A 39 15.877 -19.523 -18.310 1.00 45.44 C ATOM 590 CD2 TRP A 39 14.654 -17.654 -18.148 1.00 13.22 C ATOM 591 NE1 TRP A 39 16.488 -18.553 -19.069 1.00 55.12 N ATOM 592 CE2 TRP A 39 15.756 -17.398 -18.987 1.00 0.23 C ATOM 593 CE3 TRP A 39 13.743 -16.624 -17.900 1.00 14.21 C ATOM 594 CZ2 TRP A 39 15.970 -16.154 -19.576 1.00 33.42 C ATOM 595 CZ3 TRP A 39 13.956 -15.390 -18.485 1.00 63.31 C ATOM 596 CH2 TRP A 39 15.062 -15.164 -19.316 1.00 31.13 C ATOM 0 H TRP A 39 14.744 -17.733 -14.594 1.00 54.35 H new ATOM 0 HA TRP A 39 13.498 -20.257 -14.757 1.00 64.24 H new ATOM 0 HB2 TRP A 39 13.805 -20.806 -17.084 1.00 13.11 H new ATOM 0 HB3 TRP A 39 12.792 -19.379 -16.995 1.00 13.11 H new ATOM 0 HD1 TRP A 39 16.236 -20.535 -18.192 1.00 45.44 H new ATOM 0 HE1 TRP A 39 17.347 -18.674 -19.606 1.00 55.12 H new ATOM 0 HE3 TRP A 39 12.887 -16.789 -17.262 1.00 14.21 H new ATOM 0 HZ2 TRP A 39 16.822 -15.977 -20.215 1.00 33.42 H new ATOM 0 HZ3 TRP A 39 13.259 -14.587 -18.299 1.00 63.31 H new ATOM 0 HH2 TRP A 39 15.200 -14.189 -19.760 1.00 31.13 H new ATOM 607 N VAL A 40 15.853 -21.308 -15.133 1.00 22.21 N ATOM 608 CA VAL A 40 17.199 -21.826 -14.917 1.00 71.33 C ATOM 609 C VAL A 40 17.717 -22.543 -16.159 1.00 23.21 C ATOM 610 O VAL A 40 17.020 -23.370 -16.746 1.00 51.21 O ATOM 611 CB VAL A 40 17.242 -22.797 -13.722 1.00 50.31 C ATOM 612 CG1 VAL A 40 18.678 -23.170 -13.389 1.00 3.05 C ATOM 613 CG2 VAL A 40 16.547 -22.185 -12.515 1.00 22.43 C ATOM 0 H VAL A 40 15.149 -22.024 -15.310 1.00 22.21 H new ATOM 0 HA VAL A 40 17.837 -20.969 -14.702 1.00 71.33 H new ATOM 0 HB VAL A 40 16.710 -23.708 -13.996 1.00 50.31 H new ATOM 0 HG11 VAL A 40 18.689 -23.856 -12.542 1.00 3.05 H new ATOM 0 HG12 VAL A 40 19.138 -23.651 -14.252 1.00 3.05 H new ATOM 0 HG13 VAL A 40 19.238 -22.270 -13.134 1.00 3.05 H new ATOM 0 HG21 VAL A 40 16.586 -22.884 -11.679 1.00 22.43 H new ATOM 0 HG22 VAL A 40 17.049 -21.258 -12.237 1.00 22.43 H new ATOM 0 HG23 VAL A 40 15.507 -21.974 -12.763 1.00 22.43 H new ATOM 623 N GLN A 41 18.945 -22.221 -16.552 1.00 42.33 N ATOM 624 CA GLN A 41 19.557 -22.834 -17.725 1.00 30.50 C ATOM 625 C GLN A 41 20.944 -23.377 -17.395 1.00 14.14 C ATOM 626 O GLN A 41 21.613 -22.885 -16.487 1.00 33.31 O ATOM 627 CB GLN A 41 19.652 -21.821 -18.867 1.00 14.35 C ATOM 628 CG GLN A 41 19.637 -22.456 -20.247 1.00 61.24 C ATOM 629 CD GLN A 41 19.182 -21.495 -21.328 1.00 3.34 C ATOM 630 OE1 GLN A 41 19.153 -20.281 -21.122 1.00 42.14 O ATOM 631 NE2 GLN A 41 18.824 -22.033 -22.487 1.00 61.23 N ATOM 0 H GLN A 41 19.536 -21.539 -16.076 1.00 42.33 H new ATOM 0 HA GLN A 41 18.926 -23.666 -18.039 1.00 30.50 H new ATOM 0 HB2 GLN A 41 18.821 -21.120 -18.790 1.00 14.35 H new ATOM 0 HB3 GLN A 41 20.569 -21.242 -18.753 1.00 14.35 H new ATOM 0 HG2 GLN A 41 20.637 -22.819 -20.486 1.00 61.24 H new ATOM 0 HG3 GLN A 41 18.977 -23.323 -20.236 1.00 61.24 H new ATOM 0 HE21 GLN A 41 18.864 -23.044 -22.614 1.00 61.23 H new ATOM 0 HE22 GLN A 41 18.509 -21.435 -23.251 1.00 61.23 H new ATOM 640 N ASN A 42 21.368 -24.394 -18.138 1.00 3.33 N ATOM 641 CA ASN A 42 22.675 -25.004 -17.923 1.00 4.22 C ATOM 642 C ASN A 42 23.641 -24.629 -19.043 1.00 23.32 C ATOM 643 O ASN A 42 23.236 -24.440 -20.190 1.00 64.14 O ATOM 644 CB ASN A 42 22.543 -26.526 -17.836 1.00 0.41 C ATOM 645 CG ASN A 42 22.496 -27.181 -19.203 1.00 13.23 C ATOM 646 OD1 ASN A 42 23.484 -27.752 -19.664 1.00 51.12 O ATOM 647 ND2 ASN A 42 21.343 -27.101 -19.857 1.00 42.45 N ATOM 0 H ASN A 42 20.826 -24.813 -18.894 1.00 3.33 H new ATOM 0 HA ASN A 42 23.074 -24.627 -16.981 1.00 4.22 H new ATOM 0 HB2 ASN A 42 23.384 -26.929 -17.272 1.00 0.41 H new ATOM 0 HB3 ASN A 42 21.638 -26.779 -17.284 1.00 0.41 H new ATOM 0 HD21 ASN A 42 21.250 -27.523 -20.781 1.00 42.45 H new ATOM 0 HD22 ASN A 42 20.550 -26.617 -19.435 1.00 42.45 H new ATOM 654 N THR A 43 24.922 -24.524 -18.702 1.00 21.20 N ATOM 655 CA THR A 43 25.946 -24.172 -19.677 1.00 61.14 C ATOM 656 C THR A 43 26.787 -25.386 -20.055 1.00 32.43 C ATOM 657 O THR A 43 26.867 -26.356 -19.301 1.00 22.25 O ATOM 658 CB THR A 43 26.874 -23.065 -19.143 1.00 25.34 C ATOM 659 OG1 THR A 43 27.646 -23.562 -18.044 1.00 24.04 O ATOM 660 CG2 THR A 43 26.071 -21.853 -18.697 1.00 74.05 C ATOM 0 H THR A 43 25.275 -24.678 -17.757 1.00 21.20 H new ATOM 0 HA THR A 43 25.426 -23.804 -20.562 1.00 61.14 H new ATOM 0 HB THR A 43 27.542 -22.761 -19.949 1.00 25.34 H new ATOM 0 HG1 THR A 43 27.805 -22.839 -17.402 1.00 24.04 H new ATOM 0 HG21 THR A 43 26.748 -21.085 -18.324 1.00 74.05 H new ATOM 0 HG22 THR A 43 25.506 -21.459 -19.542 1.00 74.05 H new ATOM 0 HG23 THR A 43 25.382 -22.145 -17.905 1.00 74.05 H new ATOM 668 N ASP A 44 27.412 -25.327 -21.225 1.00 41.42 N ATOM 669 CA ASP A 44 28.249 -26.422 -21.702 1.00 0.41 C ATOM 670 C ASP A 44 29.418 -26.666 -20.752 1.00 55.40 C ATOM 671 O ASP A 44 29.913 -27.787 -20.637 1.00 50.21 O ATOM 672 CB ASP A 44 28.772 -26.118 -23.107 1.00 3.45 C ATOM 673 CG ASP A 44 29.095 -27.375 -23.889 1.00 32.50 C ATOM 674 OD1 ASP A 44 28.168 -28.177 -24.132 1.00 64.31 O ATOM 675 OD2 ASP A 44 30.273 -27.558 -24.259 1.00 42.30 O ATOM 0 H ASP A 44 27.355 -24.532 -21.862 1.00 41.42 H new ATOM 0 HA ASP A 44 27.639 -27.324 -21.738 1.00 0.41 H new ATOM 0 HB2 ASP A 44 28.027 -25.537 -23.651 1.00 3.45 H new ATOM 0 HB3 ASP A 44 29.667 -25.500 -23.033 1.00 3.45 H new ATOM 680 N ARG A 45 29.853 -25.609 -20.075 1.00 5.35 N ATOM 681 CA ARG A 45 30.965 -25.708 -19.137 1.00 2.24 C ATOM 682 C ARG A 45 30.541 -26.439 -17.866 1.00 64.55 C ATOM 683 O ARG A 45 31.219 -27.361 -17.413 1.00 74.35 O ATOM 684 CB ARG A 45 31.489 -24.314 -18.785 1.00 20.25 C ATOM 685 CG ARG A 45 31.923 -23.503 -19.994 1.00 61.14 C ATOM 686 CD ARG A 45 33.393 -23.725 -20.316 1.00 32.03 C ATOM 687 NE ARG A 45 33.589 -24.843 -21.235 1.00 4.04 N ATOM 688 CZ ARG A 45 34.723 -25.063 -21.892 1.00 35.41 C ATOM 689 NH1 ARG A 45 35.755 -24.247 -21.732 1.00 60.22 N ATOM 690 NH2 ARG A 45 34.825 -26.103 -22.711 1.00 15.52 N ATOM 0 H ARG A 45 29.453 -24.674 -20.158 1.00 5.35 H new ATOM 0 HA ARG A 45 31.761 -26.278 -19.616 1.00 2.24 H new ATOM 0 HB2 ARG A 45 30.712 -23.767 -18.251 1.00 20.25 H new ATOM 0 HB3 ARG A 45 32.334 -24.414 -18.103 1.00 20.25 H new ATOM 0 HG2 ARG A 45 31.315 -23.779 -20.856 1.00 61.14 H new ATOM 0 HG3 ARG A 45 31.747 -22.444 -19.805 1.00 61.14 H new ATOM 0 HD2 ARG A 45 33.809 -22.818 -20.755 1.00 32.03 H new ATOM 0 HD3 ARG A 45 33.942 -23.914 -19.393 1.00 32.03 H new ATOM 0 HE ARG A 45 32.814 -25.490 -21.380 1.00 4.04 H new ATOM 0 HH11 ARG A 45 35.680 -23.447 -21.103 1.00 60.22 H new ATOM 0 HH12 ARG A 45 36.624 -24.419 -22.238 1.00 60.22 H new ATOM 0 HH21 ARG A 45 34.033 -26.733 -22.836 1.00 15.52 H new ATOM 0 HH22 ARG A 45 35.695 -26.272 -23.215 1.00 15.52 H new ATOM 704 N GLY A 46 29.416 -26.021 -17.296 1.00 55.00 N ATOM 705 CA GLY A 46 28.921 -26.647 -16.084 1.00 1.45 C ATOM 706 C GLY A 46 28.212 -25.665 -15.172 1.00 54.13 C ATOM 707 O GLY A 46 27.386 -26.057 -14.346 1.00 42.35 O ATOM 0 H GLY A 46 28.838 -25.260 -17.652 1.00 55.00 H new ATOM 0 HA2 GLY A 46 28.236 -27.452 -16.349 1.00 1.45 H new ATOM 0 HA3 GLY A 46 29.754 -27.101 -15.547 1.00 1.45 H new ATOM 711 N THR A 47 28.534 -24.383 -15.320 1.00 32.51 N ATOM 712 CA THR A 47 27.924 -23.343 -14.502 1.00 12.11 C ATOM 713 C THR A 47 26.403 -23.388 -14.599 1.00 21.24 C ATOM 714 O THR A 47 25.847 -23.975 -15.527 1.00 22.51 O ATOM 715 CB THR A 47 28.412 -21.943 -14.918 1.00 52.44 C ATOM 716 OG1 THR A 47 28.714 -21.925 -16.318 1.00 72.31 O ATOM 717 CG2 THR A 47 29.645 -21.541 -14.123 1.00 51.44 C ATOM 0 H THR A 47 29.214 -24.041 -15.999 1.00 32.51 H new ATOM 0 HA THR A 47 28.225 -23.534 -13.472 1.00 12.11 H new ATOM 0 HB THR A 47 27.616 -21.228 -14.709 1.00 52.44 H new ATOM 0 HG1 THR A 47 29.022 -21.031 -16.575 1.00 72.31 H new ATOM 0 HG21 THR A 47 29.971 -20.549 -14.434 1.00 51.44 H new ATOM 0 HG22 THR A 47 29.404 -21.527 -13.060 1.00 51.44 H new ATOM 0 HG23 THR A 47 30.445 -22.259 -14.304 1.00 51.44 H new ATOM 725 N VAL A 48 25.735 -22.764 -13.634 1.00 55.22 N ATOM 726 CA VAL A 48 24.277 -22.731 -13.612 1.00 20.51 C ATOM 727 C VAL A 48 23.754 -21.325 -13.881 1.00 4.22 C ATOM 728 O VAL A 48 23.354 -20.615 -12.959 1.00 55.10 O ATOM 729 CB VAL A 48 23.725 -23.222 -12.260 1.00 63.52 C ATOM 730 CG1 VAL A 48 22.207 -23.311 -12.303 1.00 64.03 C ATOM 731 CG2 VAL A 48 24.336 -24.566 -11.893 1.00 32.53 C ATOM 0 H VAL A 48 26.180 -22.275 -12.857 1.00 55.22 H new ATOM 0 HA VAL A 48 23.934 -23.400 -14.401 1.00 20.51 H new ATOM 0 HB VAL A 48 24.000 -22.501 -11.491 1.00 63.52 H new ATOM 0 HG11 VAL A 48 21.836 -23.660 -11.339 1.00 64.03 H new ATOM 0 HG12 VAL A 48 21.791 -22.327 -12.518 1.00 64.03 H new ATOM 0 HG13 VAL A 48 21.905 -24.011 -13.083 1.00 64.03 H new ATOM 0 HG21 VAL A 48 23.935 -24.898 -10.935 1.00 32.53 H new ATOM 0 HG22 VAL A 48 24.092 -25.299 -12.662 1.00 32.53 H new ATOM 0 HG23 VAL A 48 25.419 -24.465 -11.818 1.00 32.53 H new ATOM 741 N GLN A 49 23.762 -20.929 -15.150 1.00 32.33 N ATOM 742 CA GLN A 49 23.288 -19.607 -15.540 1.00 3.52 C ATOM 743 C GLN A 49 21.771 -19.512 -15.412 1.00 45.23 C ATOM 744 O GLN A 49 21.047 -20.426 -15.803 1.00 23.51 O ATOM 745 CB GLN A 49 23.712 -19.293 -16.976 1.00 31.02 C ATOM 746 CG GLN A 49 23.104 -20.229 -18.008 1.00 21.54 C ATOM 747 CD GLN A 49 23.540 -19.902 -19.422 1.00 5.21 C ATOM 748 OE1 GLN A 49 24.184 -18.880 -19.664 1.00 61.44 O ATOM 749 NE2 GLN A 49 23.192 -20.769 -20.365 1.00 51.02 N ATOM 0 H GLN A 49 24.091 -21.505 -15.925 1.00 32.33 H new ATOM 0 HA GLN A 49 23.737 -18.875 -14.868 1.00 3.52 H new ATOM 0 HB2 GLN A 49 23.427 -18.268 -17.214 1.00 31.02 H new ATOM 0 HB3 GLN A 49 24.799 -19.346 -17.045 1.00 31.02 H new ATOM 0 HG2 GLN A 49 23.387 -21.255 -17.773 1.00 21.54 H new ATOM 0 HG3 GLN A 49 22.017 -20.175 -17.946 1.00 21.54 H new ATOM 0 HE21 GLN A 49 22.658 -21.603 -20.119 1.00 51.02 H new ATOM 0 HE22 GLN A 49 23.458 -20.601 -21.335 1.00 51.02 H new ATOM 758 N GLY A 50 21.297 -18.398 -14.862 1.00 71.22 N ATOM 759 CA GLY A 50 19.869 -18.205 -14.693 1.00 13.15 C ATOM 760 C GLY A 50 19.484 -16.740 -14.638 1.00 43.41 C ATOM 761 O GLY A 50 20.144 -15.943 -13.971 1.00 31.54 O ATOM 0 H GLY A 50 21.876 -17.626 -14.531 1.00 71.22 H new ATOM 0 HA2 GLY A 50 19.341 -18.686 -15.516 1.00 13.15 H new ATOM 0 HA3 GLY A 50 19.545 -18.697 -13.776 1.00 13.15 H new ATOM 765 N GLN A 51 18.416 -16.383 -15.343 1.00 74.23 N ATOM 766 CA GLN A 51 17.947 -15.003 -15.374 1.00 13.22 C ATOM 767 C GLN A 51 17.042 -14.709 -14.182 1.00 55.11 C ATOM 768 O GLN A 51 16.264 -15.563 -13.754 1.00 52.12 O ATOM 769 CB GLN A 51 17.198 -14.725 -16.679 1.00 3.04 C ATOM 770 CG GLN A 51 18.115 -14.503 -17.870 1.00 43.35 C ATOM 771 CD GLN A 51 17.602 -13.429 -18.810 1.00 33.42 C ATOM 772 OE1 GLN A 51 17.449 -13.660 -20.010 1.00 14.43 O ATOM 773 NE2 GLN A 51 17.332 -12.247 -18.268 1.00 22.52 N ATOM 0 H GLN A 51 17.859 -17.030 -15.901 1.00 74.23 H new ATOM 0 HA GLN A 51 18.817 -14.349 -15.317 1.00 13.22 H new ATOM 0 HB2 GLN A 51 16.534 -15.563 -16.893 1.00 3.04 H new ATOM 0 HB3 GLN A 51 16.568 -13.845 -16.547 1.00 3.04 H new ATOM 0 HG2 GLN A 51 19.107 -14.225 -17.513 1.00 43.35 H new ATOM 0 HG3 GLN A 51 18.225 -15.438 -18.419 1.00 43.35 H new ATOM 0 HE21 GLN A 51 17.474 -12.100 -17.269 1.00 22.52 H new ATOM 0 HE22 GLN A 51 16.983 -11.486 -18.851 1.00 22.52 H new ATOM 782 N LEU A 52 17.148 -13.496 -13.650 1.00 32.53 N ATOM 783 CA LEU A 52 16.339 -13.089 -12.506 1.00 73.42 C ATOM 784 C LEU A 52 15.781 -11.684 -12.706 1.00 42.24 C ATOM 785 O LEU A 52 16.526 -10.746 -12.990 1.00 14.33 O ATOM 786 CB LEU A 52 17.170 -13.143 -11.223 1.00 42.43 C ATOM 787 CG LEU A 52 16.580 -12.422 -10.011 1.00 31.25 C ATOM 788 CD1 LEU A 52 15.262 -13.061 -9.600 1.00 2.24 C ATOM 789 CD2 LEU A 52 17.565 -12.435 -8.851 1.00 3.10 C ATOM 0 H LEU A 52 17.786 -12.777 -13.992 1.00 32.53 H new ATOM 0 HA LEU A 52 15.503 -13.783 -12.419 1.00 73.42 H new ATOM 0 HB2 LEU A 52 17.326 -14.189 -10.958 1.00 42.43 H new ATOM 0 HB3 LEU A 52 18.152 -12.718 -11.431 1.00 42.43 H new ATOM 0 HG LEU A 52 16.388 -11.385 -10.287 1.00 31.25 H new ATOM 0 HD11 LEU A 52 14.856 -12.535 -8.736 1.00 2.24 H new ATOM 0 HD12 LEU A 52 14.554 -13.000 -10.427 1.00 2.24 H new ATOM 0 HD13 LEU A 52 15.429 -14.107 -9.342 1.00 2.24 H new ATOM 0 HD21 LEU A 52 17.128 -11.917 -7.997 1.00 3.10 H new ATOM 0 HD22 LEU A 52 17.789 -13.466 -8.575 1.00 3.10 H new ATOM 0 HD23 LEU A 52 18.485 -11.931 -9.149 1.00 3.10 H new ATOM 801 N GLN A 53 14.468 -11.547 -12.555 1.00 51.41 N ATOM 802 CA GLN A 53 13.811 -10.255 -12.718 1.00 5.20 C ATOM 803 C GLN A 53 13.233 -9.767 -11.394 1.00 20.33 C ATOM 804 O GLN A 53 12.850 -10.566 -10.540 1.00 64.42 O ATOM 805 CB GLN A 53 12.703 -10.351 -13.768 1.00 30.03 C ATOM 806 CG GLN A 53 12.301 -9.007 -14.353 1.00 11.22 C ATOM 807 CD GLN A 53 13.067 -8.667 -15.616 1.00 61.51 C ATOM 808 OE1 GLN A 53 13.965 -9.403 -16.028 1.00 3.55 O ATOM 809 NE2 GLN A 53 12.716 -7.549 -16.240 1.00 35.14 N ATOM 0 H GLN A 53 13.838 -12.314 -12.320 1.00 51.41 H new ATOM 0 HA GLN A 53 14.558 -9.536 -13.054 1.00 5.20 H new ATOM 0 HB2 GLN A 53 13.034 -11.005 -14.575 1.00 30.03 H new ATOM 0 HB3 GLN A 53 11.827 -10.819 -13.318 1.00 30.03 H new ATOM 0 HG2 GLN A 53 11.233 -9.015 -14.572 1.00 11.22 H new ATOM 0 HG3 GLN A 53 12.468 -8.227 -13.610 1.00 11.22 H new ATOM 0 HE21 GLN A 53 11.966 -6.969 -15.864 1.00 35.14 H new ATOM 0 HE22 GLN A 53 13.196 -7.270 -17.096 1.00 35.14 H new ATOM 818 N GLY A 54 13.173 -8.449 -11.229 1.00 73.22 N ATOM 819 CA GLY A 54 12.640 -7.878 -10.006 1.00 41.10 C ATOM 820 C GLY A 54 13.309 -6.568 -9.639 1.00 21.35 C ATOM 821 O GLY A 54 14.242 -6.115 -10.302 1.00 71.33 O ATOM 0 H GLY A 54 13.484 -7.767 -11.920 1.00 73.22 H new ATOM 0 HA2 GLY A 54 11.568 -7.716 -10.121 1.00 41.10 H new ATOM 0 HA3 GLY A 54 12.769 -8.589 -9.190 1.00 41.10 H new ATOM 825 N PRO A 55 12.828 -5.936 -8.558 1.00 31.43 N ATOM 826 CA PRO A 55 13.370 -4.661 -8.079 1.00 63.24 C ATOM 827 C PRO A 55 14.769 -4.811 -7.491 1.00 11.45 C ATOM 828 O PRO A 55 15.101 -5.844 -6.909 1.00 75.22 O ATOM 829 CB PRO A 55 12.376 -4.237 -6.995 1.00 62.33 C ATOM 830 CG PRO A 55 11.767 -5.511 -6.521 1.00 22.34 C ATOM 831 CD PRO A 55 11.718 -6.418 -7.719 1.00 33.41 C ATOM 0 HA PRO A 55 13.477 -3.935 -8.885 1.00 63.24 H new ATOM 0 HB2 PRO A 55 12.877 -3.711 -6.182 1.00 62.33 H new ATOM 0 HB3 PRO A 55 11.620 -3.561 -7.394 1.00 62.33 H new ATOM 0 HG2 PRO A 55 12.361 -5.953 -5.721 1.00 22.34 H new ATOM 0 HG3 PRO A 55 10.768 -5.340 -6.120 1.00 22.34 H new ATOM 0 HD2 PRO A 55 11.851 -7.463 -7.438 1.00 33.41 H new ATOM 0 HD3 PRO A 55 10.762 -6.347 -8.238 1.00 33.41 H new ATOM 839 N ILE A 56 15.584 -3.773 -7.644 1.00 45.04 N ATOM 840 CA ILE A 56 16.947 -3.789 -7.126 1.00 73.22 C ATOM 841 C ILE A 56 16.963 -4.099 -5.633 1.00 62.12 C ATOM 842 O ILE A 56 17.945 -4.624 -5.108 1.00 62.05 O ATOM 843 CB ILE A 56 17.657 -2.444 -7.368 1.00 21.32 C ATOM 844 CG1 ILE A 56 19.130 -2.541 -6.965 1.00 61.13 C ATOM 845 CG2 ILE A 56 16.963 -1.332 -6.595 1.00 63.51 C ATOM 846 CD1 ILE A 56 19.936 -1.312 -7.322 1.00 0.31 C ATOM 0 H ILE A 56 15.325 -2.910 -8.122 1.00 45.04 H new ATOM 0 HA ILE A 56 17.480 -4.573 -7.663 1.00 73.22 H new ATOM 0 HB ILE A 56 17.605 -2.208 -8.431 1.00 21.32 H new ATOM 0 HG12 ILE A 56 19.194 -2.708 -5.890 1.00 61.13 H new ATOM 0 HG13 ILE A 56 19.574 -3.410 -7.449 1.00 61.13 H new ATOM 0 HG21 ILE A 56 17.476 -0.388 -6.776 1.00 63.51 H new ATOM 0 HG22 ILE A 56 15.927 -1.251 -6.925 1.00 63.51 H new ATOM 0 HG23 ILE A 56 16.988 -1.560 -5.529 1.00 63.51 H new ATOM 0 HD11 ILE A 56 20.970 -1.451 -7.007 1.00 0.31 H new ATOM 0 HD12 ILE A 56 19.903 -1.156 -8.400 1.00 0.31 H new ATOM 0 HD13 ILE A 56 19.517 -0.442 -6.816 1.00 0.31 H new ATOM 858 N SER A 57 15.868 -3.772 -4.954 1.00 42.03 N ATOM 859 CA SER A 57 15.757 -4.013 -3.521 1.00 20.44 C ATOM 860 C SER A 57 15.713 -5.509 -3.223 1.00 72.24 C ATOM 861 O SER A 57 16.081 -5.949 -2.134 1.00 64.32 O ATOM 862 CB SER A 57 14.505 -3.334 -2.963 1.00 52.11 C ATOM 863 OG SER A 57 14.354 -2.029 -3.494 1.00 55.21 O ATOM 0 H SER A 57 15.045 -3.339 -5.374 1.00 42.03 H new ATOM 0 HA SER A 57 16.637 -3.589 -3.038 1.00 20.44 H new ATOM 0 HB2 SER A 57 13.626 -3.932 -3.203 1.00 52.11 H new ATOM 0 HB3 SER A 57 14.569 -3.283 -1.876 1.00 52.11 H new ATOM 0 HG SER A 57 13.546 -1.617 -3.124 1.00 55.21 H new ATOM 869 N LYS A 58 15.259 -6.287 -4.200 1.00 53.24 N ATOM 870 CA LYS A 58 15.166 -7.734 -4.047 1.00 2.21 C ATOM 871 C LYS A 58 16.312 -8.432 -4.773 1.00 35.31 C ATOM 872 O LYS A 58 16.802 -9.469 -4.326 1.00 63.33 O ATOM 873 CB LYS A 58 13.825 -8.240 -4.583 1.00 11.53 C ATOM 874 CG LYS A 58 12.744 -8.338 -3.521 1.00 14.55 C ATOM 875 CD LYS A 58 12.460 -6.986 -2.887 1.00 5.14 C ATOM 876 CE LYS A 58 11.088 -6.954 -2.232 1.00 1.13 C ATOM 877 NZ LYS A 58 9.993 -7.100 -3.231 1.00 3.34 N ATOM 0 H LYS A 58 14.949 -5.939 -5.107 1.00 53.24 H new ATOM 0 HA LYS A 58 15.236 -7.967 -2.985 1.00 2.21 H new ATOM 0 HB2 LYS A 58 13.485 -7.573 -5.375 1.00 11.53 H new ATOM 0 HB3 LYS A 58 13.970 -9.222 -5.033 1.00 11.53 H new ATOM 0 HG2 LYS A 58 11.830 -8.731 -3.966 1.00 14.55 H new ATOM 0 HG3 LYS A 58 13.053 -9.044 -2.750 1.00 14.55 H new ATOM 0 HD2 LYS A 58 13.225 -6.764 -2.143 1.00 5.14 H new ATOM 0 HD3 LYS A 58 12.520 -6.207 -3.647 1.00 5.14 H new ATOM 0 HE2 LYS A 58 11.018 -7.755 -1.497 1.00 1.13 H new ATOM 0 HE3 LYS A 58 10.965 -6.015 -1.693 1.00 1.13 H new ATOM 0 HZ1 LYS A 58 9.119 -6.682 -2.852 1.00 3.34 H new ATOM 0 HZ2 LYS A 58 10.257 -6.611 -4.110 1.00 3.34 H new ATOM 0 HZ3 LYS A 58 9.837 -8.109 -3.430 1.00 3.34 H new ATOM 891 N VAL A 59 16.734 -7.857 -5.894 1.00 41.41 N ATOM 892 CA VAL A 59 17.824 -8.423 -6.680 1.00 53.44 C ATOM 893 C VAL A 59 19.155 -8.292 -5.949 1.00 32.32 C ATOM 894 O VAL A 59 20.085 -9.061 -6.191 1.00 25.15 O ATOM 895 CB VAL A 59 17.937 -7.739 -8.056 1.00 3.21 C ATOM 896 CG1 VAL A 59 19.094 -8.325 -8.850 1.00 64.30 C ATOM 897 CG2 VAL A 59 16.631 -7.870 -8.825 1.00 4.20 C ATOM 0 H VAL A 59 16.338 -6.999 -6.279 1.00 41.41 H new ATOM 0 HA VAL A 59 17.595 -9.479 -6.824 1.00 53.44 H new ATOM 0 HB VAL A 59 18.135 -6.679 -7.900 1.00 3.21 H new ATOM 0 HG11 VAL A 59 19.158 -7.830 -9.819 1.00 64.30 H new ATOM 0 HG12 VAL A 59 20.024 -8.174 -8.303 1.00 64.30 H new ATOM 0 HG13 VAL A 59 18.930 -9.392 -8.998 1.00 64.30 H new ATOM 0 HG21 VAL A 59 16.729 -7.381 -9.794 1.00 4.20 H new ATOM 0 HG22 VAL A 59 16.400 -8.925 -8.972 1.00 4.20 H new ATOM 0 HG23 VAL A 59 15.827 -7.398 -8.260 1.00 4.20 H new ATOM 907 N ARG A 60 19.238 -7.314 -5.053 1.00 30.22 N ATOM 908 CA ARG A 60 20.456 -7.082 -4.286 1.00 31.43 C ATOM 909 C ARG A 60 20.639 -8.158 -3.219 1.00 3.44 C ATOM 910 O ARG A 60 21.757 -8.420 -2.772 1.00 74.23 O ATOM 911 CB ARG A 60 20.416 -5.700 -3.631 1.00 23.41 C ATOM 912 CG ARG A 60 21.759 -5.249 -3.079 1.00 33.30 C ATOM 913 CD ARG A 60 22.621 -4.617 -4.160 1.00 4.11 C ATOM 914 NE ARG A 60 22.246 -3.229 -4.418 1.00 72.51 N ATOM 915 CZ ARG A 60 22.971 -2.397 -5.157 1.00 73.11 C ATOM 916 NH1 ARG A 60 24.104 -2.810 -5.708 1.00 74.15 N ATOM 917 NH2 ARG A 60 22.563 -1.149 -5.346 1.00 54.23 N ATOM 0 H ARG A 60 18.476 -6.670 -4.840 1.00 30.22 H new ATOM 0 HA ARG A 60 21.302 -7.127 -4.972 1.00 31.43 H new ATOM 0 HB2 ARG A 60 20.070 -4.970 -4.363 1.00 23.41 H new ATOM 0 HB3 ARG A 60 19.685 -5.711 -2.822 1.00 23.41 H new ATOM 0 HG2 ARG A 60 21.600 -4.532 -2.273 1.00 33.30 H new ATOM 0 HG3 ARG A 60 22.282 -6.103 -2.648 1.00 33.30 H new ATOM 0 HD2 ARG A 60 23.668 -4.660 -3.860 1.00 4.11 H new ATOM 0 HD3 ARG A 60 22.529 -5.194 -5.080 1.00 4.11 H new ATOM 0 HE ARG A 60 21.380 -2.880 -4.008 1.00 72.51 H new ATOM 0 HH11 ARG A 60 24.421 -3.769 -5.565 1.00 74.15 H new ATOM 0 HH12 ARG A 60 24.659 -2.169 -6.275 1.00 74.15 H new ATOM 0 HH21 ARG A 60 21.692 -0.828 -4.924 1.00 54.23 H new ATOM 0 HH22 ARG A 60 23.120 -0.511 -5.914 1.00 54.23 H new ATOM 931 N HIS A 61 19.535 -8.776 -2.813 1.00 73.22 N ATOM 932 CA HIS A 61 19.574 -9.823 -1.798 1.00 75.23 C ATOM 933 C HIS A 61 20.100 -11.129 -2.385 1.00 64.30 C ATOM 934 O HIS A 61 20.978 -11.770 -1.808 1.00 64.21 O ATOM 935 CB HIS A 61 18.181 -10.041 -1.207 1.00 75.40 C ATOM 936 CG HIS A 61 18.200 -10.499 0.219 1.00 41.01 C ATOM 937 ND1 HIS A 61 19.084 -10.006 1.156 1.00 54.54 N ATOM 938 CD2 HIS A 61 17.436 -11.409 0.867 1.00 22.12 C ATOM 939 CE1 HIS A 61 18.864 -10.594 2.318 1.00 54.31 C ATOM 940 NE2 HIS A 61 17.869 -11.450 2.170 1.00 55.40 N ATOM 0 H HIS A 61 18.602 -8.570 -3.171 1.00 73.22 H new ATOM 0 HA HIS A 61 20.251 -9.502 -1.006 1.00 75.23 H new ATOM 0 HB2 HIS A 61 17.617 -9.110 -1.274 1.00 75.40 H new ATOM 0 HB3 HIS A 61 17.651 -10.778 -1.810 1.00 75.40 H new ATOM 0 HD2 HIS A 61 16.635 -11.994 0.439 1.00 22.12 H new ATOM 0 HE1 HIS A 61 19.406 -10.407 3.233 1.00 54.31 H new ATOM 0 HE2 HIS A 61 17.485 -12.045 2.904 1.00 55.40 H new ATOM 948 N MET A 62 19.558 -11.518 -3.534 1.00 54.43 N ATOM 949 CA MET A 62 19.974 -12.747 -4.199 1.00 31.33 C ATOM 950 C MET A 62 21.468 -12.721 -4.505 1.00 51.53 C ATOM 951 O MET A 62 22.190 -13.669 -4.199 1.00 11.22 O ATOM 952 CB MET A 62 19.180 -12.948 -5.491 1.00 33.12 C ATOM 953 CG MET A 62 17.983 -13.871 -5.331 1.00 72.41 C ATOM 954 SD MET A 62 18.430 -15.614 -5.448 1.00 74.44 S ATOM 955 CE MET A 62 17.018 -16.380 -4.654 1.00 45.21 C ATOM 0 H MET A 62 18.829 -10.999 -4.024 1.00 54.43 H new ATOM 0 HA MET A 62 19.774 -13.580 -3.525 1.00 31.33 H new ATOM 0 HB2 MET A 62 18.835 -11.978 -5.851 1.00 33.12 H new ATOM 0 HB3 MET A 62 19.842 -13.354 -6.255 1.00 33.12 H new ATOM 0 HG2 MET A 62 17.512 -13.685 -4.366 1.00 72.41 H new ATOM 0 HG3 MET A 62 17.244 -13.637 -6.097 1.00 72.41 H new ATOM 0 HE1 MET A 62 17.138 -17.463 -4.664 1.00 45.21 H new ATOM 0 HE2 MET A 62 16.947 -16.032 -3.623 1.00 45.21 H new ATOM 0 HE3 MET A 62 16.108 -16.111 -5.191 1.00 45.21 H new ATOM 965 N GLN A 63 21.924 -11.629 -5.112 1.00 34.13 N ATOM 966 CA GLN A 63 23.332 -11.481 -5.460 1.00 73.01 C ATOM 967 C GLN A 63 24.218 -11.650 -4.230 1.00 74.42 C ATOM 968 O GLN A 63 25.363 -12.088 -4.335 1.00 10.51 O ATOM 969 CB GLN A 63 23.580 -10.113 -6.098 1.00 10.14 C ATOM 970 CG GLN A 63 23.320 -8.947 -5.157 1.00 71.21 C ATOM 971 CD GLN A 63 23.812 -7.626 -5.715 1.00 30.32 C ATOM 972 OE1 GLN A 63 24.718 -7.004 -5.160 1.00 64.12 O ATOM 973 NE2 GLN A 63 23.216 -7.190 -6.818 1.00 73.43 N ATOM 0 H GLN A 63 21.339 -10.835 -5.372 1.00 34.13 H new ATOM 0 HA GLN A 63 23.587 -12.261 -6.178 1.00 73.01 H new ATOM 0 HB2 GLN A 63 24.612 -10.065 -6.446 1.00 10.14 H new ATOM 0 HB3 GLN A 63 22.942 -10.010 -6.976 1.00 10.14 H new ATOM 0 HG2 GLN A 63 22.251 -8.877 -4.958 1.00 71.21 H new ATOM 0 HG3 GLN A 63 23.810 -9.139 -4.203 1.00 71.21 H new ATOM 0 HE21 GLN A 63 22.469 -7.738 -7.245 1.00 73.43 H new ATOM 0 HE22 GLN A 63 23.505 -6.307 -7.239 1.00 73.43 H new ATOM 982 N GLU A 64 23.679 -11.301 -3.066 1.00 51.22 N ATOM 983 CA GLU A 64 24.422 -11.413 -1.817 1.00 21.52 C ATOM 984 C GLU A 64 23.873 -12.548 -0.957 1.00 73.53 C ATOM 985 O GLU A 64 23.996 -12.529 0.267 1.00 21.33 O ATOM 986 CB GLU A 64 24.361 -10.096 -1.041 1.00 24.12 C ATOM 987 CG GLU A 64 23.010 -9.829 -0.400 1.00 20.25 C ATOM 988 CD GLU A 64 22.897 -8.424 0.159 1.00 54.12 C ATOM 989 OE1 GLU A 64 23.501 -7.502 -0.427 1.00 51.41 O ATOM 990 OE2 GLU A 64 22.203 -8.247 1.182 1.00 33.00 O ATOM 0 H GLU A 64 22.731 -10.939 -2.962 1.00 51.22 H new ATOM 0 HA GLU A 64 25.461 -11.635 -2.061 1.00 21.52 H new ATOM 0 HB2 GLU A 64 25.126 -10.106 -0.265 1.00 24.12 H new ATOM 0 HB3 GLU A 64 24.602 -9.275 -1.716 1.00 24.12 H new ATOM 0 HG2 GLU A 64 22.224 -9.986 -1.139 1.00 20.25 H new ATOM 0 HG3 GLU A 64 22.843 -10.549 0.401 1.00 20.25 H new ATOM 997 N TRP A 65 23.266 -13.534 -1.608 1.00 21.51 N ATOM 998 CA TRP A 65 22.697 -14.678 -0.904 1.00 12.02 C ATOM 999 C TRP A 65 23.112 -15.987 -1.566 1.00 53.14 C ATOM 1000 O TRP A 65 23.424 -16.966 -0.888 1.00 24.13 O ATOM 1001 CB TRP A 65 21.171 -14.572 -0.866 1.00 64.13 C ATOM 1002 CG TRP A 65 20.521 -15.649 -0.052 1.00 20.12 C ATOM 1003 CD1 TRP A 65 20.429 -16.974 -0.369 1.00 60.23 C ATOM 1004 CD2 TRP A 65 19.871 -15.492 1.214 1.00 12.30 C ATOM 1005 NE1 TRP A 65 19.761 -17.650 0.623 1.00 74.01 N ATOM 1006 CE2 TRP A 65 19.408 -16.763 1.606 1.00 64.32 C ATOM 1007 CE3 TRP A 65 19.636 -14.401 2.056 1.00 71.15 C ATOM 1008 CZ2 TRP A 65 18.725 -16.971 2.801 1.00 51.21 C ATOM 1009 CZ3 TRP A 65 18.957 -14.609 3.241 1.00 0.41 C ATOM 1010 CH2 TRP A 65 18.509 -15.885 3.605 1.00 34.24 C ATOM 0 H TRP A 65 23.155 -13.565 -2.621 1.00 21.51 H new ATOM 0 HA TRP A 65 23.080 -14.672 0.116 1.00 12.02 H new ATOM 0 HB2 TRP A 65 20.891 -13.600 -0.459 1.00 64.13 H new ATOM 0 HB3 TRP A 65 20.786 -14.614 -1.885 1.00 64.13 H new ATOM 0 HD1 TRP A 65 20.824 -17.424 -1.268 1.00 60.23 H new ATOM 0 HE1 TRP A 65 19.560 -18.650 0.627 1.00 74.01 H new ATOM 0 HE3 TRP A 65 19.979 -13.413 1.785 1.00 71.15 H new ATOM 0 HZ2 TRP A 65 18.378 -17.954 3.083 1.00 51.21 H new ATOM 0 HZ3 TRP A 65 18.768 -13.773 3.898 1.00 0.41 H new ATOM 0 HH2 TRP A 65 17.982 -16.014 4.539 1.00 34.24 H new ATOM 1021 N LEU A 66 23.113 -15.998 -2.895 1.00 31.12 N ATOM 1022 CA LEU A 66 23.490 -17.188 -3.650 1.00 22.14 C ATOM 1023 C LEU A 66 24.982 -17.473 -3.507 1.00 32.44 C ATOM 1024 O LEU A 66 25.416 -18.620 -3.608 1.00 62.14 O ATOM 1025 CB LEU A 66 23.132 -17.014 -5.126 1.00 71.35 C ATOM 1026 CG LEU A 66 21.665 -17.243 -5.493 1.00 10.04 C ATOM 1027 CD1 LEU A 66 21.438 -16.983 -6.974 1.00 32.42 C ATOM 1028 CD2 LEU A 66 21.238 -18.657 -5.125 1.00 53.53 C ATOM 0 H LEU A 66 22.857 -15.196 -3.472 1.00 31.12 H new ATOM 0 HA LEU A 66 22.936 -18.035 -3.246 1.00 22.14 H new ATOM 0 HB2 LEU A 66 23.408 -16.004 -5.429 1.00 71.35 H new ATOM 0 HB3 LEU A 66 23.743 -17.701 -5.711 1.00 71.35 H new ATOM 0 HG LEU A 66 21.054 -16.541 -4.925 1.00 10.04 H new ATOM 0 HD11 LEU A 66 20.389 -17.151 -7.216 1.00 32.42 H new ATOM 0 HD12 LEU A 66 21.704 -15.952 -7.207 1.00 32.42 H new ATOM 0 HD13 LEU A 66 22.059 -17.659 -7.561 1.00 32.42 H new ATOM 0 HD21 LEU A 66 20.192 -18.802 -5.393 1.00 53.53 H new ATOM 0 HD22 LEU A 66 21.854 -19.375 -5.665 1.00 53.53 H new ATOM 0 HD23 LEU A 66 21.362 -18.807 -4.053 1.00 53.53 H new ATOM 1040 N GLU A 67 25.760 -16.422 -3.268 1.00 60.21 N ATOM 1041 CA GLU A 67 27.203 -16.561 -3.110 1.00 31.13 C ATOM 1042 C GLU A 67 27.549 -17.087 -1.720 1.00 25.41 C ATOM 1043 O GLU A 67 28.515 -17.833 -1.548 1.00 15.11 O ATOM 1044 CB GLU A 67 27.896 -15.218 -3.346 1.00 11.53 C ATOM 1045 CG GLU A 67 27.362 -14.095 -2.472 1.00 33.34 C ATOM 1046 CD GLU A 67 28.417 -13.527 -1.542 1.00 74.31 C ATOM 1047 OE1 GLU A 67 29.229 -14.316 -1.016 1.00 23.24 O ATOM 1048 OE2 GLU A 67 28.430 -12.295 -1.341 1.00 34.11 O ATOM 0 H GLU A 67 25.416 -15.466 -3.180 1.00 60.21 H new ATOM 0 HA GLU A 67 27.557 -17.279 -3.850 1.00 31.13 H new ATOM 0 HB2 GLU A 67 28.964 -15.333 -3.163 1.00 11.53 H new ATOM 0 HB3 GLU A 67 27.781 -14.938 -4.393 1.00 11.53 H new ATOM 0 HG2 GLU A 67 26.976 -13.298 -3.107 1.00 33.34 H new ATOM 0 HG3 GLU A 67 26.524 -14.466 -1.881 1.00 33.34 H new ATOM 1055 N THR A 68 26.755 -16.694 -0.729 1.00 41.42 N ATOM 1056 CA THR A 68 26.978 -17.123 0.646 1.00 74.04 C ATOM 1057 C THR A 68 26.312 -18.467 0.916 1.00 31.42 C ATOM 1058 O THR A 68 26.981 -19.447 1.245 1.00 0.03 O ATOM 1059 CB THR A 68 26.443 -16.086 1.652 1.00 73.35 C ATOM 1060 OG1 THR A 68 25.063 -15.811 1.384 1.00 2.12 O ATOM 1061 CG2 THR A 68 27.246 -14.797 1.578 1.00 1.42 C ATOM 0 H THR A 68 25.951 -16.079 -0.853 1.00 41.42 H new ATOM 0 HA THR A 68 28.056 -17.221 0.776 1.00 74.04 H new ATOM 0 HB THR A 68 26.542 -16.500 2.655 1.00 73.35 H new ATOM 0 HG1 THR A 68 24.730 -15.152 2.028 1.00 2.12 H new ATOM 0 HG21 THR A 68 26.850 -14.080 2.297 1.00 1.42 H new ATOM 0 HG22 THR A 68 28.290 -15.005 1.811 1.00 1.42 H new ATOM 0 HG23 THR A 68 27.174 -14.381 0.573 1.00 1.42 H new ATOM 1069 N ARG A 69 24.991 -18.507 0.775 1.00 20.40 N ATOM 1070 CA ARG A 69 24.235 -19.732 1.005 1.00 72.50 C ATOM 1071 C ARG A 69 24.385 -20.693 -0.171 1.00 52.13 C ATOM 1072 O ARG A 69 24.993 -20.357 -1.187 1.00 13.23 O ATOM 1073 CB ARG A 69 22.756 -19.410 1.229 1.00 62.03 C ATOM 1074 CG ARG A 69 22.399 -19.172 2.687 1.00 53.44 C ATOM 1075 CD ARG A 69 21.945 -20.454 3.366 1.00 74.12 C ATOM 1076 NE ARG A 69 21.789 -20.284 4.808 1.00 25.40 N ATOM 1077 CZ ARG A 69 21.178 -21.167 5.590 1.00 13.42 C ATOM 1078 NH1 ARG A 69 20.667 -22.275 5.072 1.00 53.10 N ATOM 1079 NH2 ARG A 69 21.076 -20.941 6.894 1.00 65.31 N ATOM 0 H ARG A 69 24.422 -17.705 0.503 1.00 20.40 H new ATOM 0 HA ARG A 69 24.634 -20.213 1.898 1.00 72.50 H new ATOM 0 HB2 ARG A 69 22.494 -18.524 0.650 1.00 62.03 H new ATOM 0 HB3 ARG A 69 22.152 -20.232 0.845 1.00 62.03 H new ATOM 0 HG2 ARG A 69 23.264 -18.767 3.213 1.00 53.44 H new ATOM 0 HG3 ARG A 69 21.608 -18.425 2.752 1.00 53.44 H new ATOM 0 HD2 ARG A 69 20.998 -20.777 2.934 1.00 74.12 H new ATOM 0 HD3 ARG A 69 22.670 -21.244 3.170 1.00 74.12 H new ATOM 0 HE ARG A 69 22.170 -19.441 5.238 1.00 25.40 H new ATOM 0 HH11 ARG A 69 20.742 -22.452 4.070 1.00 53.10 H new ATOM 0 HH12 ARG A 69 20.198 -22.951 5.675 1.00 53.10 H new ATOM 0 HH21 ARG A 69 21.467 -20.089 7.296 1.00 65.31 H new ATOM 0 HH22 ARG A 69 20.607 -21.619 7.494 1.00 65.31 H new ATOM 1093 N GLY A 70 23.826 -21.891 -0.026 1.00 1.32 N ATOM 1094 CA GLY A 70 23.909 -22.881 -1.083 1.00 24.40 C ATOM 1095 C GLY A 70 23.960 -24.298 -0.547 1.00 74.41 C ATOM 1096 O GLY A 70 24.472 -24.538 0.546 1.00 65.10 O ATOM 0 H GLY A 70 23.317 -22.193 0.805 1.00 1.32 H new ATOM 0 HA2 GLY A 70 23.048 -22.776 -1.743 1.00 24.40 H new ATOM 0 HA3 GLY A 70 24.797 -22.691 -1.685 1.00 24.40 H new ATOM 1100 N SER A 71 23.424 -25.240 -1.317 1.00 62.13 N ATOM 1101 CA SER A 71 23.405 -26.640 -0.911 1.00 60.41 C ATOM 1102 C SER A 71 24.806 -27.118 -0.541 1.00 10.11 C ATOM 1103 O SER A 71 25.813 -26.517 -0.915 1.00 64.34 O ATOM 1104 CB SER A 71 22.837 -27.511 -2.034 1.00 22.35 C ATOM 1105 OG SER A 71 23.866 -28.229 -2.693 1.00 2.24 O ATOM 0 H SER A 71 22.997 -25.059 -2.225 1.00 62.13 H new ATOM 0 HA SER A 71 22.766 -26.729 -0.033 1.00 60.41 H new ATOM 0 HB2 SER A 71 22.108 -28.209 -1.623 1.00 22.35 H new ATOM 0 HB3 SER A 71 22.309 -26.884 -2.753 1.00 22.35 H new ATOM 0 HG SER A 71 23.477 -28.779 -3.405 1.00 2.24 H new ATOM 1111 N PRO A 72 24.873 -28.225 0.213 1.00 32.21 N ATOM 1112 CA PRO A 72 26.144 -28.809 0.651 1.00 60.31 C ATOM 1113 C PRO A 72 26.925 -29.429 -0.503 1.00 32.52 C ATOM 1114 O PRO A 72 28.148 -29.553 -0.443 1.00 23.33 O ATOM 1115 CB PRO A 72 25.714 -29.889 1.647 1.00 71.00 C ATOM 1116 CG PRO A 72 24.329 -30.253 1.236 1.00 31.14 C ATOM 1117 CD PRO A 72 23.712 -28.993 0.696 1.00 44.42 C ATOM 0 HA PRO A 72 26.812 -28.060 1.076 1.00 60.31 H new ATOM 0 HB2 PRO A 72 26.379 -30.752 1.607 1.00 71.00 H new ATOM 0 HB3 PRO A 72 25.738 -29.516 2.671 1.00 71.00 H new ATOM 0 HG2 PRO A 72 24.340 -31.037 0.479 1.00 31.14 H new ATOM 0 HG3 PRO A 72 23.759 -30.635 2.083 1.00 31.14 H new ATOM 0 HD2 PRO A 72 23.007 -29.203 -0.108 1.00 44.42 H new ATOM 0 HD3 PRO A 72 23.164 -28.451 1.467 1.00 44.42 H new ATOM 1125 N LYS A 73 26.210 -29.818 -1.554 1.00 3.25 N ATOM 1126 CA LYS A 73 26.836 -30.424 -2.723 1.00 13.20 C ATOM 1127 C LYS A 73 26.856 -29.449 -3.896 1.00 12.11 C ATOM 1128 O LYS A 73 26.873 -29.859 -5.056 1.00 71.42 O ATOM 1129 CB LYS A 73 26.092 -31.701 -3.120 1.00 51.13 C ATOM 1130 CG LYS A 73 25.864 -32.657 -1.963 1.00 23.45 C ATOM 1131 CD LYS A 73 24.992 -33.832 -2.373 1.00 13.23 C ATOM 1132 CE LYS A 73 24.399 -34.535 -1.162 1.00 33.44 C ATOM 1133 NZ LYS A 73 23.304 -35.470 -1.544 1.00 23.12 N ATOM 0 H LYS A 73 25.196 -29.724 -1.620 1.00 3.25 H new ATOM 0 HA LYS A 73 27.865 -30.675 -2.465 1.00 13.20 H new ATOM 0 HB2 LYS A 73 25.129 -31.431 -3.552 1.00 51.13 H new ATOM 0 HB3 LYS A 73 26.658 -32.214 -3.898 1.00 51.13 H new ATOM 0 HG2 LYS A 73 26.824 -33.025 -1.599 1.00 23.45 H new ATOM 0 HG3 LYS A 73 25.393 -32.124 -1.137 1.00 23.45 H new ATOM 0 HD2 LYS A 73 24.189 -33.482 -3.021 1.00 13.23 H new ATOM 0 HD3 LYS A 73 25.583 -34.541 -2.953 1.00 13.23 H new ATOM 0 HE2 LYS A 73 25.183 -35.086 -0.642 1.00 33.44 H new ATOM 0 HE3 LYS A 73 24.015 -33.792 -0.463 1.00 33.44 H new ATOM 0 HZ1 LYS A 73 22.926 -35.929 -0.691 1.00 23.12 H new ATOM 0 HZ2 LYS A 73 22.544 -34.940 -2.017 1.00 23.12 H new ATOM 0 HZ3 LYS A 73 23.676 -36.194 -2.191 1.00 23.12 H new ATOM 1147 N SER A 74 26.855 -28.156 -3.585 1.00 70.54 N ATOM 1148 CA SER A 74 26.871 -27.123 -4.614 1.00 72.22 C ATOM 1149 C SER A 74 27.861 -26.018 -4.259 1.00 63.32 C ATOM 1150 O SER A 74 27.471 -24.881 -3.994 1.00 44.42 O ATOM 1151 CB SER A 74 25.472 -26.531 -4.794 1.00 34.03 C ATOM 1152 OG SER A 74 25.051 -25.853 -3.623 1.00 11.42 O ATOM 0 H SER A 74 26.843 -27.800 -2.629 1.00 70.54 H new ATOM 0 HA SER A 74 27.187 -27.583 -5.551 1.00 72.22 H new ATOM 0 HB2 SER A 74 25.471 -25.841 -5.638 1.00 34.03 H new ATOM 0 HB3 SER A 74 24.765 -27.326 -5.032 1.00 34.03 H new ATOM 0 HG SER A 74 25.654 -25.101 -3.445 1.00 11.42 H new ATOM 1158 N HIS A 75 29.145 -26.362 -4.256 1.00 44.00 N ATOM 1159 CA HIS A 75 30.193 -25.400 -3.934 1.00 45.13 C ATOM 1160 C HIS A 75 30.078 -24.157 -4.811 1.00 54.22 C ATOM 1161 O HIS A 75 29.533 -24.212 -5.914 1.00 71.31 O ATOM 1162 CB HIS A 75 31.572 -26.037 -4.112 1.00 71.12 C ATOM 1163 CG HIS A 75 32.638 -25.401 -3.275 1.00 45.41 C ATOM 1164 ND1 HIS A 75 32.529 -25.242 -1.910 1.00 1.12 N ATOM 1165 CD2 HIS A 75 33.842 -24.883 -3.617 1.00 75.33 C ATOM 1166 CE1 HIS A 75 33.618 -24.653 -1.449 1.00 11.14 C ATOM 1167 NE2 HIS A 75 34.430 -24.425 -2.465 1.00 5.04 N ATOM 0 H HIS A 75 29.485 -27.299 -4.473 1.00 44.00 H new ATOM 0 HA HIS A 75 30.070 -25.102 -2.893 1.00 45.13 H new ATOM 0 HB2 HIS A 75 31.509 -27.096 -3.862 1.00 71.12 H new ATOM 0 HB3 HIS A 75 31.860 -25.974 -5.161 1.00 71.12 H new ATOM 0 HD2 HIS A 75 34.261 -24.839 -4.611 1.00 75.33 H new ATOM 0 HE1 HIS A 75 33.811 -24.401 -0.417 1.00 11.14 H new ATOM 0 HE2 HIS A 75 35.346 -23.980 -2.403 1.00 5.04 H new ATOM 1175 N ILE A 76 30.592 -23.038 -4.313 1.00 42.53 N ATOM 1176 CA ILE A 76 30.546 -21.782 -5.052 1.00 4.31 C ATOM 1177 C ILE A 76 31.951 -21.266 -5.346 1.00 53.53 C ATOM 1178 O ILE A 76 32.445 -20.361 -4.673 1.00 33.24 O ATOM 1179 CB ILE A 76 29.766 -20.702 -4.279 1.00 24.04 C ATOM 1180 CG1 ILE A 76 28.345 -21.184 -3.980 1.00 41.25 C ATOM 1181 CG2 ILE A 76 29.736 -19.402 -5.069 1.00 21.41 C ATOM 1182 CD1 ILE A 76 27.642 -20.370 -2.917 1.00 20.35 C ATOM 0 H ILE A 76 31.045 -22.975 -3.401 1.00 42.53 H new ATOM 0 HA ILE A 76 30.032 -21.987 -5.991 1.00 4.31 H new ATOM 0 HB ILE A 76 30.273 -20.516 -3.332 1.00 24.04 H new ATOM 0 HG12 ILE A 76 27.758 -21.152 -4.898 1.00 41.25 H new ATOM 0 HG13 ILE A 76 28.383 -22.226 -3.662 1.00 41.25 H new ATOM 0 HG21 ILE A 76 29.181 -18.649 -4.509 1.00 21.41 H new ATOM 0 HG22 ILE A 76 30.755 -19.053 -5.235 1.00 21.41 H new ATOM 0 HG23 ILE A 76 29.250 -19.571 -6.030 1.00 21.41 H new ATOM 0 HD11 ILE A 76 26.640 -20.768 -2.757 1.00 20.35 H new ATOM 0 HD12 ILE A 76 28.206 -20.423 -1.986 1.00 20.35 H new ATOM 0 HD13 ILE A 76 27.572 -19.332 -3.241 1.00 20.35 H new ATOM 1194 N ASP A 77 32.588 -21.845 -6.358 1.00 11.13 N ATOM 1195 CA ASP A 77 33.935 -21.442 -6.744 1.00 40.33 C ATOM 1196 C ASP A 77 33.938 -20.023 -7.305 1.00 72.12 C ATOM 1197 O ASP A 77 34.822 -19.224 -6.997 1.00 50.41 O ATOM 1198 CB ASP A 77 34.504 -22.414 -7.779 1.00 41.30 C ATOM 1199 CG ASP A 77 36.017 -22.356 -7.857 1.00 21.34 C ATOM 1200 OD1 ASP A 77 36.678 -22.772 -6.881 1.00 53.24 O ATOM 1201 OD2 ASP A 77 36.541 -21.897 -8.893 1.00 14.32 O ATOM 0 H ASP A 77 32.193 -22.595 -6.926 1.00 11.13 H new ATOM 0 HA ASP A 77 34.563 -21.463 -5.853 1.00 40.33 H new ATOM 0 HB2 ASP A 77 34.195 -23.429 -7.529 1.00 41.30 H new ATOM 0 HB3 ASP A 77 34.084 -22.185 -8.758 1.00 41.30 H new ATOM 1206 N LYS A 78 32.943 -19.717 -8.131 1.00 62.13 N ATOM 1207 CA LYS A 78 32.829 -18.395 -8.736 1.00 64.31 C ATOM 1208 C LYS A 78 31.369 -17.966 -8.834 1.00 41.33 C ATOM 1209 O LYS A 78 30.602 -18.518 -9.622 1.00 14.02 O ATOM 1210 CB LYS A 78 33.468 -18.392 -10.127 1.00 12.50 C ATOM 1211 CG LYS A 78 33.417 -17.039 -10.816 1.00 10.21 C ATOM 1212 CD LYS A 78 34.514 -16.116 -10.314 1.00 3.45 C ATOM 1213 CE LYS A 78 35.873 -16.510 -10.871 1.00 43.04 C ATOM 1214 NZ LYS A 78 35.974 -16.237 -12.332 1.00 34.31 N ATOM 0 H LYS A 78 32.203 -20.367 -8.397 1.00 62.13 H new ATOM 0 HA LYS A 78 33.356 -17.684 -8.099 1.00 64.31 H new ATOM 0 HB2 LYS A 78 34.508 -18.708 -10.041 1.00 12.50 H new ATOM 0 HB3 LYS A 78 32.962 -19.128 -10.752 1.00 12.50 H new ATOM 0 HG2 LYS A 78 33.518 -17.174 -11.893 1.00 10.21 H new ATOM 0 HG3 LYS A 78 32.445 -16.578 -10.643 1.00 10.21 H new ATOM 0 HD2 LYS A 78 34.286 -15.089 -10.600 1.00 3.45 H new ATOM 0 HD3 LYS A 78 34.544 -16.144 -9.225 1.00 3.45 H new ATOM 0 HE2 LYS A 78 36.654 -15.962 -10.344 1.00 43.04 H new ATOM 0 HE3 LYS A 78 36.048 -17.570 -10.687 1.00 43.04 H new ATOM 0 HZ1 LYS A 78 36.973 -16.258 -12.621 1.00 34.31 H new ATOM 0 HZ2 LYS A 78 35.446 -16.963 -12.858 1.00 34.31 H new ATOM 0 HZ3 LYS A 78 35.573 -15.300 -12.539 1.00 34.31 H new ATOM 1228 N ALA A 79 30.993 -16.976 -8.031 1.00 33.44 N ATOM 1229 CA ALA A 79 29.626 -16.471 -8.030 1.00 54.30 C ATOM 1230 C ALA A 79 29.588 -14.988 -8.386 1.00 64.52 C ATOM 1231 O ALA A 79 30.015 -14.142 -7.603 1.00 3.52 O ATOM 1232 CB ALA A 79 28.976 -16.706 -6.674 1.00 64.33 C ATOM 0 H ALA A 79 31.616 -16.508 -7.373 1.00 33.44 H new ATOM 0 HA ALA A 79 29.064 -17.015 -8.789 1.00 54.30 H new ATOM 0 HB1 ALA A 79 27.955 -16.324 -6.689 1.00 64.33 H new ATOM 0 HB2 ALA A 79 28.960 -17.774 -6.458 1.00 64.33 H new ATOM 0 HB3 ALA A 79 29.546 -16.189 -5.903 1.00 64.33 H new ATOM 1238 N ASN A 80 29.076 -14.683 -9.574 1.00 14.44 N ATOM 1239 CA ASN A 80 28.984 -13.302 -10.034 1.00 1.31 C ATOM 1240 C ASN A 80 27.842 -13.135 -11.031 1.00 73.44 C ATOM 1241 O ASN A 80 27.428 -14.094 -11.683 1.00 60.35 O ATOM 1242 CB ASN A 80 30.304 -12.868 -10.675 1.00 55.44 C ATOM 1243 CG ASN A 80 30.417 -11.361 -10.801 1.00 52.44 C ATOM 1244 OD1 ASN A 80 30.206 -10.799 -11.876 1.00 43.15 O ATOM 1245 ND2 ASN A 80 30.751 -10.698 -9.700 1.00 23.40 N ATOM 0 H ASN A 80 28.719 -15.373 -10.235 1.00 14.44 H new ATOM 0 HA ASN A 80 28.782 -12.670 -9.169 1.00 1.31 H new ATOM 0 HB2 ASN A 80 31.135 -13.243 -10.078 1.00 55.44 H new ATOM 0 HB3 ASN A 80 30.391 -13.320 -11.663 1.00 55.44 H new ATOM 0 HD21 ASN A 80 30.842 -9.682 -9.724 1.00 23.40 H new ATOM 0 HD22 ASN A 80 30.917 -11.204 -8.830 1.00 23.40 H new ATOM 1252 N PHE A 81 27.336 -11.912 -11.145 1.00 44.42 N ATOM 1253 CA PHE A 81 26.242 -11.619 -12.063 1.00 15.12 C ATOM 1254 C PHE A 81 26.721 -10.749 -13.221 1.00 55.40 C ATOM 1255 O PHE A 81 27.899 -10.405 -13.307 1.00 54.01 O ATOM 1256 CB PHE A 81 25.100 -10.919 -11.322 1.00 4.20 C ATOM 1257 CG PHE A 81 25.507 -9.621 -10.685 1.00 13.14 C ATOM 1258 CD1 PHE A 81 25.477 -8.439 -11.408 1.00 32.43 C ATOM 1259 CD2 PHE A 81 25.919 -9.582 -9.362 1.00 61.53 C ATOM 1260 CE1 PHE A 81 25.850 -7.243 -10.824 1.00 73.21 C ATOM 1261 CE2 PHE A 81 26.293 -8.389 -8.773 1.00 73.33 C ATOM 1262 CZ PHE A 81 26.259 -7.219 -9.505 1.00 42.53 C ATOM 0 H PHE A 81 27.666 -11.107 -10.613 1.00 44.42 H new ATOM 0 HA PHE A 81 25.878 -12.563 -12.468 1.00 15.12 H new ATOM 0 HB2 PHE A 81 24.285 -10.732 -12.021 1.00 4.20 H new ATOM 0 HB3 PHE A 81 24.713 -11.587 -10.552 1.00 4.20 H new ATOM 0 HD1 PHE A 81 25.158 -8.453 -12.440 1.00 32.43 H new ATOM 0 HD2 PHE A 81 25.948 -10.494 -8.785 1.00 61.53 H new ATOM 0 HE1 PHE A 81 25.822 -6.329 -11.398 1.00 73.21 H new ATOM 0 HE2 PHE A 81 26.612 -8.372 -7.741 1.00 73.33 H new ATOM 0 HZ PHE A 81 26.552 -6.286 -9.047 1.00 42.53 H new ATOM 1272 N ASN A 82 25.797 -10.396 -14.110 1.00 23.50 N ATOM 1273 CA ASN A 82 26.125 -9.567 -15.264 1.00 73.32 C ATOM 1274 C ASN A 82 24.869 -9.217 -16.056 1.00 54.11 C ATOM 1275 O ASN A 82 23.771 -9.667 -15.730 1.00 23.22 O ATOM 1276 CB ASN A 82 27.127 -10.288 -16.168 1.00 73.04 C ATOM 1277 CG ASN A 82 26.855 -11.777 -16.261 1.00 30.12 C ATOM 1278 OD1 ASN A 82 27.561 -12.587 -15.659 1.00 41.35 O ATOM 1279 ND2 ASN A 82 25.827 -12.145 -17.017 1.00 63.10 N ATOM 0 H ASN A 82 24.816 -10.671 -14.053 1.00 23.50 H new ATOM 0 HA ASN A 82 26.574 -8.643 -14.900 1.00 73.32 H new ATOM 0 HB2 ASN A 82 27.091 -9.852 -17.166 1.00 73.04 H new ATOM 0 HB3 ASN A 82 28.136 -10.129 -15.787 1.00 73.04 H new ATOM 0 HD21 ASN A 82 25.595 -13.133 -17.117 1.00 63.10 H new ATOM 0 HD22 ASN A 82 25.269 -11.439 -17.498 1.00 63.10 H new ATOM 1286 N ASN A 83 25.039 -8.411 -17.099 1.00 13.31 N ATOM 1287 CA ASN A 83 23.919 -8.000 -17.938 1.00 11.40 C ATOM 1288 C ASN A 83 22.875 -7.245 -17.121 1.00 31.05 C ATOM 1289 O ASN A 83 21.676 -7.354 -17.375 1.00 20.40 O ATOM 1290 CB ASN A 83 23.278 -9.220 -18.603 1.00 1.41 C ATOM 1291 CG ASN A 83 24.270 -10.017 -19.428 1.00 4.55 C ATOM 1292 OD1 ASN A 83 24.448 -11.216 -19.216 1.00 60.33 O ATOM 1293 ND2 ASN A 83 24.923 -9.351 -20.373 1.00 40.23 N ATOM 0 H ASN A 83 25.941 -8.030 -17.383 1.00 13.31 H new ATOM 0 HA ASN A 83 24.302 -7.333 -18.710 1.00 11.40 H new ATOM 0 HB2 ASN A 83 22.847 -9.864 -17.836 1.00 1.41 H new ATOM 0 HB3 ASN A 83 22.458 -8.893 -19.242 1.00 1.41 H new ATOM 0 HD21 ASN A 83 25.605 -9.834 -20.959 1.00 40.23 H new ATOM 0 HD22 ASN A 83 24.743 -8.357 -20.513 1.00 40.23 H new ATOM 1300 N GLU A 84 23.340 -6.479 -16.138 1.00 64.45 N ATOM 1301 CA GLU A 84 22.446 -5.707 -15.284 1.00 3.11 C ATOM 1302 C GLU A 84 21.872 -4.511 -16.038 1.00 1.35 C ATOM 1303 O GLU A 84 22.595 -3.790 -16.726 1.00 23.13 O ATOM 1304 CB GLU A 84 23.187 -5.228 -14.034 1.00 22.13 C ATOM 1305 CG GLU A 84 22.266 -4.726 -12.935 1.00 14.21 C ATOM 1306 CD GLU A 84 22.951 -4.657 -11.584 1.00 65.23 C ATOM 1307 OE1 GLU A 84 22.940 -5.674 -10.860 1.00 31.20 O ATOM 1308 OE2 GLU A 84 23.500 -3.585 -11.252 1.00 61.51 O ATOM 0 H GLU A 84 24.330 -6.377 -15.914 1.00 64.45 H new ATOM 0 HA GLU A 84 21.622 -6.355 -14.984 1.00 3.11 H new ATOM 0 HB2 GLU A 84 23.791 -6.047 -13.644 1.00 22.13 H new ATOM 0 HB3 GLU A 84 23.874 -4.430 -14.313 1.00 22.13 H new ATOM 0 HG2 GLU A 84 21.896 -3.736 -13.201 1.00 14.21 H new ATOM 0 HG3 GLU A 84 21.399 -5.383 -12.865 1.00 14.21 H new ATOM 1315 N LYS A 85 20.566 -4.306 -15.903 1.00 42.20 N ATOM 1316 CA LYS A 85 19.892 -3.198 -16.569 1.00 45.44 C ATOM 1317 C LYS A 85 18.566 -2.878 -15.888 1.00 31.14 C ATOM 1318 O LYS A 85 18.070 -3.659 -15.075 1.00 42.01 O ATOM 1319 CB LYS A 85 19.653 -3.532 -18.044 1.00 11.35 C ATOM 1320 CG LYS A 85 18.927 -4.849 -18.259 1.00 4.34 C ATOM 1321 CD LYS A 85 18.777 -5.167 -19.737 1.00 34.44 C ATOM 1322 CE LYS A 85 19.997 -5.896 -20.277 1.00 63.11 C ATOM 1323 NZ LYS A 85 19.878 -7.372 -20.118 1.00 53.13 N ATOM 0 H LYS A 85 19.953 -4.893 -15.338 1.00 42.20 H new ATOM 0 HA LYS A 85 20.535 -2.321 -16.501 1.00 45.44 H new ATOM 0 HB2 LYS A 85 19.074 -2.729 -18.501 1.00 11.35 H new ATOM 0 HB3 LYS A 85 20.612 -3.567 -18.560 1.00 11.35 H new ATOM 0 HG2 LYS A 85 19.475 -5.652 -17.767 1.00 4.34 H new ATOM 0 HG3 LYS A 85 17.942 -4.803 -17.794 1.00 4.34 H new ATOM 0 HD2 LYS A 85 17.889 -5.780 -19.890 1.00 34.44 H new ATOM 0 HD3 LYS A 85 18.627 -4.243 -20.296 1.00 34.44 H new ATOM 0 HE2 LYS A 85 20.127 -5.654 -21.332 1.00 63.11 H new ATOM 0 HE3 LYS A 85 20.889 -5.546 -19.757 1.00 63.11 H new ATOM 0 HZ1 LYS A 85 20.370 -7.846 -20.902 1.00 53.13 H new ATOM 0 HZ2 LYS A 85 20.307 -7.660 -19.215 1.00 53.13 H new ATOM 0 HZ3 LYS A 85 18.874 -7.642 -20.126 1.00 53.13 H new ATOM 1337 N VAL A 86 17.995 -1.726 -16.224 1.00 51.04 N ATOM 1338 CA VAL A 86 16.724 -1.305 -15.647 1.00 3.34 C ATOM 1339 C VAL A 86 15.617 -1.307 -16.694 1.00 53.51 C ATOM 1340 O VAL A 86 15.863 -1.050 -17.873 1.00 1.21 O ATOM 1341 CB VAL A 86 16.828 0.102 -15.028 1.00 21.24 C ATOM 1342 CG1 VAL A 86 17.811 0.103 -13.866 1.00 53.24 C ATOM 1343 CG2 VAL A 86 17.236 1.119 -16.083 1.00 14.13 C ATOM 0 H VAL A 86 18.393 -1.067 -16.893 1.00 51.04 H new ATOM 0 HA VAL A 86 16.479 -2.022 -14.863 1.00 3.34 H new ATOM 0 HB VAL A 86 15.848 0.384 -14.644 1.00 21.24 H new ATOM 0 HG11 VAL A 86 17.871 1.105 -13.441 1.00 53.24 H new ATOM 0 HG12 VAL A 86 17.471 -0.595 -13.101 1.00 53.24 H new ATOM 0 HG13 VAL A 86 18.796 -0.200 -14.222 1.00 53.24 H new ATOM 0 HG21 VAL A 86 17.305 2.107 -15.628 1.00 14.13 H new ATOM 0 HG22 VAL A 86 18.205 0.843 -16.499 1.00 14.13 H new ATOM 0 HG23 VAL A 86 16.491 1.137 -16.879 1.00 14.13 H new ATOM 1353 N ILE A 87 14.396 -1.597 -16.256 1.00 63.02 N ATOM 1354 CA ILE A 87 13.250 -1.631 -17.156 1.00 42.51 C ATOM 1355 C ILE A 87 11.999 -1.088 -16.473 1.00 62.14 C ATOM 1356 O ILE A 87 12.049 -0.641 -15.327 1.00 35.24 O ATOM 1357 CB ILE A 87 12.969 -3.060 -17.657 1.00 43.40 C ATOM 1358 CG1 ILE A 87 12.700 -3.994 -16.476 1.00 14.34 C ATOM 1359 CG2 ILE A 87 14.138 -3.569 -18.486 1.00 64.53 C ATOM 1360 CD1 ILE A 87 13.953 -4.609 -15.893 1.00 72.04 C ATOM 0 H ILE A 87 14.175 -1.812 -15.284 1.00 63.02 H new ATOM 0 HA ILE A 87 13.499 -0.999 -18.008 1.00 42.51 H new ATOM 0 HB ILE A 87 12.081 -3.040 -18.289 1.00 43.40 H new ATOM 0 HG12 ILE A 87 12.181 -3.438 -15.695 1.00 14.34 H new ATOM 0 HG13 ILE A 87 12.030 -4.791 -16.799 1.00 14.34 H new ATOM 0 HG21 ILE A 87 13.925 -4.580 -18.833 1.00 64.53 H new ATOM 0 HG22 ILE A 87 14.287 -2.914 -19.345 1.00 64.53 H new ATOM 0 HG23 ILE A 87 15.041 -3.578 -17.875 1.00 64.53 H new ATOM 0 HD11 ILE A 87 13.686 -5.259 -15.060 1.00 72.04 H new ATOM 0 HD12 ILE A 87 14.463 -5.193 -16.660 1.00 72.04 H new ATOM 0 HD13 ILE A 87 14.615 -3.819 -15.539 1.00 72.04 H new ATOM 1372 N LEU A 88 10.878 -1.132 -17.184 1.00 51.24 N ATOM 1373 CA LEU A 88 9.612 -0.646 -16.647 1.00 34.42 C ATOM 1374 C LEU A 88 8.982 -1.680 -15.718 1.00 64.02 C ATOM 1375 O LEU A 88 8.625 -1.373 -14.581 1.00 14.12 O ATOM 1376 CB LEU A 88 8.646 -0.312 -17.785 1.00 62.13 C ATOM 1377 CG LEU A 88 8.724 1.113 -18.335 1.00 64.40 C ATOM 1378 CD1 LEU A 88 8.191 2.108 -17.316 1.00 71.24 C ATOM 1379 CD2 LEU A 88 10.155 1.457 -18.722 1.00 2.45 C ATOM 0 H LEU A 88 10.820 -1.499 -18.134 1.00 51.24 H new ATOM 0 HA LEU A 88 9.813 0.258 -16.073 1.00 34.42 H new ATOM 0 HB2 LEU A 88 8.828 -1.007 -18.605 1.00 62.13 H new ATOM 0 HB3 LEU A 88 7.629 -0.490 -17.436 1.00 62.13 H new ATOM 0 HG LEU A 88 8.103 1.172 -19.229 1.00 64.40 H new ATOM 0 HD11 LEU A 88 8.254 3.117 -17.725 1.00 71.24 H new ATOM 0 HD12 LEU A 88 7.151 1.874 -17.088 1.00 71.24 H new ATOM 0 HD13 LEU A 88 8.785 2.048 -16.404 1.00 71.24 H new ATOM 0 HD21 LEU A 88 10.192 2.474 -19.111 1.00 2.45 H new ATOM 0 HD22 LEU A 88 10.798 1.381 -17.845 1.00 2.45 H new ATOM 0 HD23 LEU A 88 10.502 0.763 -19.487 1.00 2.45 H new ATOM 1391 N LYS A 89 8.852 -2.908 -16.210 1.00 12.53 N ATOM 1392 CA LYS A 89 8.269 -3.989 -15.424 1.00 3.10 C ATOM 1393 C LYS A 89 8.829 -5.340 -15.858 1.00 44.41 C ATOM 1394 O LYS A 89 9.672 -5.415 -16.754 1.00 31.14 O ATOM 1395 CB LYS A 89 6.746 -3.987 -15.567 1.00 34.04 C ATOM 1396 CG LYS A 89 6.084 -2.737 -15.013 1.00 45.40 C ATOM 1397 CD LYS A 89 4.617 -2.975 -14.698 1.00 3.34 C ATOM 1398 CE LYS A 89 3.856 -1.665 -14.567 1.00 55.31 C ATOM 1399 NZ LYS A 89 2.382 -1.879 -14.555 1.00 51.30 N ATOM 0 H LYS A 89 9.143 -3.179 -17.149 1.00 12.53 H new ATOM 0 HA LYS A 89 8.530 -3.826 -14.378 1.00 3.10 H new ATOM 0 HB2 LYS A 89 6.488 -4.087 -16.621 1.00 34.04 H new ATOM 0 HB3 LYS A 89 6.340 -4.860 -15.055 1.00 34.04 H new ATOM 0 HG2 LYS A 89 6.604 -2.419 -14.109 1.00 45.40 H new ATOM 0 HG3 LYS A 89 6.175 -1.926 -15.735 1.00 45.40 H new ATOM 0 HD2 LYS A 89 4.168 -3.581 -15.485 1.00 3.34 H new ATOM 0 HD3 LYS A 89 4.530 -3.542 -13.771 1.00 3.34 H new ATOM 0 HE2 LYS A 89 4.157 -1.160 -13.649 1.00 55.31 H new ATOM 0 HE3 LYS A 89 4.121 -1.007 -15.394 1.00 55.31 H new ATOM 0 HZ1 LYS A 89 1.899 -0.962 -14.464 1.00 51.30 H new ATOM 0 HZ2 LYS A 89 2.091 -2.338 -15.442 1.00 51.30 H new ATOM 0 HZ3 LYS A 89 2.126 -2.486 -13.751 1.00 51.30 H new ATOM 1413 N LEU A 90 8.356 -6.404 -15.220 1.00 10.04 N ATOM 1414 CA LEU A 90 8.809 -7.753 -15.541 1.00 75.11 C ATOM 1415 C LEU A 90 8.536 -8.085 -17.005 1.00 13.42 C ATOM 1416 O LEU A 90 7.757 -7.403 -17.671 1.00 41.34 O ATOM 1417 CB LEU A 90 8.115 -8.774 -14.637 1.00 51.23 C ATOM 1418 CG LEU A 90 8.156 -8.480 -13.137 1.00 45.23 C ATOM 1419 CD1 LEU A 90 6.952 -9.092 -12.440 1.00 30.43 C ATOM 1420 CD2 LEU A 90 9.450 -9.000 -12.528 1.00 30.24 C ATOM 0 H LEU A 90 7.659 -6.359 -14.477 1.00 10.04 H new ATOM 0 HA LEU A 90 9.885 -7.799 -15.371 1.00 75.11 H new ATOM 0 HB2 LEU A 90 7.072 -8.851 -14.943 1.00 51.23 H new ATOM 0 HB3 LEU A 90 8.570 -9.750 -14.808 1.00 51.23 H new ATOM 0 HG LEU A 90 8.120 -7.400 -12.996 1.00 45.23 H new ATOM 0 HD11 LEU A 90 6.999 -8.872 -11.373 1.00 30.43 H new ATOM 0 HD12 LEU A 90 6.037 -8.671 -12.858 1.00 30.43 H new ATOM 0 HD13 LEU A 90 6.956 -10.172 -12.589 1.00 30.43 H new ATOM 0 HD21 LEU A 90 9.463 -8.782 -11.460 1.00 30.24 H new ATOM 0 HD22 LEU A 90 9.516 -10.077 -12.680 1.00 30.24 H new ATOM 0 HD23 LEU A 90 10.299 -8.513 -13.008 1.00 30.24 H new ATOM 1432 N ASP A 91 9.180 -9.137 -17.498 1.00 10.35 N ATOM 1433 CA ASP A 91 9.005 -9.561 -18.882 1.00 35.34 C ATOM 1434 C ASP A 91 8.208 -10.861 -18.955 1.00 5.44 C ATOM 1435 O ASP A 91 7.456 -11.087 -19.902 1.00 52.24 O ATOM 1436 CB ASP A 91 10.364 -9.743 -19.558 1.00 2.00 C ATOM 1437 CG ASP A 91 11.145 -10.909 -18.984 1.00 60.03 C ATOM 1438 OD1 ASP A 91 11.198 -11.035 -17.743 1.00 0.43 O ATOM 1439 OD2 ASP A 91 11.702 -11.697 -19.777 1.00 3.51 O ATOM 0 H ASP A 91 9.828 -9.712 -16.960 1.00 10.35 H new ATOM 0 HA ASP A 91 8.449 -8.784 -19.407 1.00 35.34 H new ATOM 0 HB2 ASP A 91 10.217 -9.899 -20.627 1.00 2.00 H new ATOM 0 HB3 ASP A 91 10.947 -8.829 -19.447 1.00 2.00 H new ATOM 1444 N TYR A 92 8.381 -11.711 -17.949 1.00 72.10 N ATOM 1445 CA TYR A 92 7.681 -12.990 -17.901 1.00 3.41 C ATOM 1446 C TYR A 92 6.380 -12.870 -17.113 1.00 5.51 C ATOM 1447 O TYR A 92 6.048 -11.801 -16.601 1.00 2.42 O ATOM 1448 CB TYR A 92 8.575 -14.060 -17.272 1.00 33.11 C ATOM 1449 CG TYR A 92 9.271 -14.940 -18.286 1.00 0.34 C ATOM 1450 CD1 TYR A 92 10.426 -14.512 -18.929 1.00 31.41 C ATOM 1451 CD2 TYR A 92 8.774 -16.199 -18.599 1.00 43.02 C ATOM 1452 CE1 TYR A 92 11.065 -15.312 -19.856 1.00 73.52 C ATOM 1453 CE2 TYR A 92 9.407 -17.007 -19.524 1.00 44.42 C ATOM 1454 CZ TYR A 92 10.552 -16.559 -20.150 1.00 51.33 C ATOM 1455 OH TYR A 92 11.186 -17.359 -21.072 1.00 62.34 O ATOM 0 H TYR A 92 8.999 -11.538 -17.156 1.00 72.10 H new ATOM 0 HA TYR A 92 7.439 -13.282 -18.923 1.00 3.41 H new ATOM 0 HB2 TYR A 92 9.326 -13.574 -16.649 1.00 33.11 H new ATOM 0 HB3 TYR A 92 7.971 -14.685 -16.614 1.00 33.11 H new ATOM 0 HD1 TYR A 92 10.831 -13.537 -18.700 1.00 31.41 H new ATOM 0 HD2 TYR A 92 7.878 -16.552 -18.111 1.00 43.02 H new ATOM 0 HE1 TYR A 92 11.961 -14.964 -20.348 1.00 73.52 H new ATOM 0 HE2 TYR A 92 9.008 -17.983 -19.756 1.00 44.42 H new ATOM 0 HH TYR A 92 10.698 -18.204 -21.163 1.00 62.34 H new ATOM 1465 N SER A 93 5.648 -13.975 -17.020 1.00 24.11 N ATOM 1466 CA SER A 93 4.382 -13.995 -16.297 1.00 50.24 C ATOM 1467 C SER A 93 4.459 -14.926 -15.091 1.00 42.22 C ATOM 1468 O SER A 93 3.709 -14.774 -14.127 1.00 3.43 O ATOM 1469 CB SER A 93 3.248 -14.436 -17.225 1.00 22.11 C ATOM 1470 OG SER A 93 3.287 -13.727 -18.451 1.00 12.30 O ATOM 0 H SER A 93 5.910 -14.869 -17.436 1.00 24.11 H new ATOM 0 HA SER A 93 4.179 -12.985 -15.941 1.00 50.24 H new ATOM 0 HB2 SER A 93 3.327 -15.506 -17.418 1.00 22.11 H new ATOM 0 HB3 SER A 93 2.288 -14.270 -16.736 1.00 22.11 H new ATOM 0 HG SER A 93 2.553 -14.028 -19.027 1.00 12.30 H new ATOM 1476 N ASP A 94 5.371 -15.890 -15.153 1.00 41.34 N ATOM 1477 CA ASP A 94 5.548 -16.846 -14.067 1.00 4.23 C ATOM 1478 C ASP A 94 6.847 -17.628 -14.238 1.00 10.05 C ATOM 1479 O ASP A 94 7.245 -17.953 -15.356 1.00 64.21 O ATOM 1480 CB ASP A 94 4.362 -17.809 -14.008 1.00 61.40 C ATOM 1481 CG ASP A 94 4.573 -18.927 -13.005 1.00 53.32 C ATOM 1482 OD1 ASP A 94 4.719 -18.625 -11.802 1.00 51.20 O ATOM 1483 OD2 ASP A 94 4.591 -20.103 -13.423 1.00 74.13 O ATOM 0 H ASP A 94 5.999 -16.030 -15.944 1.00 41.34 H new ATOM 0 HA ASP A 94 5.600 -16.290 -13.131 1.00 4.23 H new ATOM 0 HB2 ASP A 94 3.461 -17.255 -13.746 1.00 61.40 H new ATOM 0 HB3 ASP A 94 4.196 -18.238 -14.996 1.00 61.40 H new ATOM 1488 N PHE A 95 7.503 -17.926 -13.121 1.00 44.02 N ATOM 1489 CA PHE A 95 8.758 -18.668 -13.147 1.00 64.13 C ATOM 1490 C PHE A 95 8.549 -20.071 -13.709 1.00 31.54 C ATOM 1491 O PHE A 95 7.472 -20.651 -13.570 1.00 62.34 O ATOM 1492 CB PHE A 95 9.355 -18.753 -11.741 1.00 34.13 C ATOM 1493 CG PHE A 95 8.380 -19.236 -10.705 1.00 1.03 C ATOM 1494 CD1 PHE A 95 8.101 -20.587 -10.574 1.00 14.32 C ATOM 1495 CD2 PHE A 95 7.743 -18.339 -9.862 1.00 62.02 C ATOM 1496 CE1 PHE A 95 7.205 -21.034 -9.621 1.00 74.52 C ATOM 1497 CE2 PHE A 95 6.847 -18.781 -8.908 1.00 12.03 C ATOM 1498 CZ PHE A 95 6.576 -20.130 -8.788 1.00 22.22 C ATOM 0 H PHE A 95 7.186 -17.665 -12.187 1.00 44.02 H new ATOM 0 HA PHE A 95 9.452 -18.135 -13.797 1.00 64.13 H new ATOM 0 HB2 PHE A 95 10.215 -19.423 -11.760 1.00 34.13 H new ATOM 0 HB3 PHE A 95 9.724 -17.769 -11.451 1.00 34.13 H new ATOM 0 HD1 PHE A 95 8.589 -21.299 -11.224 1.00 14.32 H new ATOM 0 HD2 PHE A 95 7.949 -17.283 -9.952 1.00 62.02 H new ATOM 0 HE1 PHE A 95 6.997 -22.090 -9.528 1.00 74.52 H new ATOM 0 HE2 PHE A 95 6.359 -18.072 -8.256 1.00 12.03 H new ATOM 0 HZ PHE A 95 5.874 -20.477 -8.044 1.00 22.22 H new ATOM 1508 N GLN A 96 9.586 -20.610 -14.342 1.00 52.23 N ATOM 1509 CA GLN A 96 9.515 -21.944 -14.926 1.00 30.23 C ATOM 1510 C GLN A 96 10.905 -22.450 -15.297 1.00 72.24 C ATOM 1511 O GLN A 96 11.739 -21.693 -15.795 1.00 31.11 O ATOM 1512 CB GLN A 96 8.615 -21.936 -16.162 1.00 54.03 C ATOM 1513 CG GLN A 96 7.189 -22.381 -15.880 1.00 13.34 C ATOM 1514 CD GLN A 96 6.518 -22.995 -17.092 1.00 71.42 C ATOM 1515 OE1 GLN A 96 7.088 -23.858 -17.761 1.00 31.24 O ATOM 1516 NE2 GLN A 96 5.300 -22.554 -17.383 1.00 12.43 N ATOM 0 H GLN A 96 10.485 -20.144 -14.463 1.00 52.23 H new ATOM 0 HA GLN A 96 9.090 -22.617 -14.181 1.00 30.23 H new ATOM 0 HB2 GLN A 96 8.597 -20.930 -16.581 1.00 54.03 H new ATOM 0 HB3 GLN A 96 9.047 -22.589 -16.920 1.00 54.03 H new ATOM 0 HG2 GLN A 96 7.193 -23.106 -15.066 1.00 13.34 H new ATOM 0 HG3 GLN A 96 6.606 -21.525 -15.542 1.00 13.34 H new ATOM 0 HE21 GLN A 96 4.865 -21.838 -16.802 1.00 12.43 H new ATOM 0 HE22 GLN A 96 4.800 -22.932 -18.188 1.00 12.43 H new ATOM 1525 N ILE A 97 11.147 -23.734 -15.053 1.00 12.54 N ATOM 1526 CA ILE A 97 12.436 -24.340 -15.362 1.00 75.15 C ATOM 1527 C ILE A 97 12.506 -24.765 -16.825 1.00 53.34 C ATOM 1528 O ILE A 97 11.515 -25.217 -17.400 1.00 43.00 O ATOM 1529 CB ILE A 97 12.710 -25.565 -14.470 1.00 63.03 C ATOM 1530 CG1 ILE A 97 12.688 -25.163 -12.994 1.00 71.41 C ATOM 1531 CG2 ILE A 97 14.047 -26.195 -14.833 1.00 74.41 C ATOM 1532 CD1 ILE A 97 12.661 -26.343 -12.047 1.00 41.23 C ATOM 0 H ILE A 97 10.467 -24.374 -14.642 1.00 12.54 H new ATOM 0 HA ILE A 97 13.196 -23.583 -15.169 1.00 75.15 H new ATOM 0 HB ILE A 97 11.925 -26.302 -14.638 1.00 63.03 H new ATOM 0 HG12 ILE A 97 13.566 -24.554 -12.778 1.00 71.41 H new ATOM 0 HG13 ILE A 97 11.814 -24.539 -12.809 1.00 71.41 H new ATOM 0 HG21 ILE A 97 14.227 -27.060 -14.194 1.00 74.41 H new ATOM 0 HG22 ILE A 97 14.029 -26.512 -15.876 1.00 74.41 H new ATOM 0 HG23 ILE A 97 14.844 -25.465 -14.689 1.00 74.41 H new ATOM 0 HD11 ILE A 97 12.646 -25.984 -11.018 1.00 41.23 H new ATOM 0 HD12 ILE A 97 11.769 -26.940 -12.235 1.00 41.23 H new ATOM 0 HD13 ILE A 97 13.548 -26.956 -12.204 1.00 41.23 H new ATOM 1544 N VAL A 98 13.684 -24.618 -17.423 1.00 10.52 N ATOM 1545 CA VAL A 98 13.885 -24.988 -18.818 1.00 62.54 C ATOM 1546 C VAL A 98 14.797 -26.204 -18.938 1.00 23.20 C ATOM 1547 O VAL A 98 15.847 -26.272 -18.298 1.00 62.15 O ATOM 1548 CB VAL A 98 14.490 -23.825 -19.627 1.00 31.22 C ATOM 1549 CG1 VAL A 98 14.716 -24.240 -21.073 1.00 24.45 C ATOM 1550 CG2 VAL A 98 13.592 -22.600 -19.550 1.00 13.12 C ATOM 0 H VAL A 98 14.514 -24.245 -16.962 1.00 10.52 H new ATOM 0 HA VAL A 98 12.903 -25.231 -19.225 1.00 62.54 H new ATOM 0 HB VAL A 98 15.456 -23.568 -19.193 1.00 31.22 H new ATOM 0 HG11 VAL A 98 15.144 -23.405 -21.628 1.00 24.45 H new ATOM 0 HG12 VAL A 98 15.401 -25.087 -21.106 1.00 24.45 H new ATOM 0 HG13 VAL A 98 13.765 -24.526 -21.522 1.00 24.45 H new ATOM 0 HG21 VAL A 98 14.034 -21.788 -20.127 1.00 13.12 H new ATOM 0 HG22 VAL A 98 12.611 -22.842 -19.958 1.00 13.12 H new ATOM 0 HG23 VAL A 98 13.487 -22.291 -18.510 1.00 13.12 H new ATOM 1560 N LYS A 99 14.390 -27.164 -19.762 1.00 1.30 N ATOM 1561 CA LYS A 99 15.171 -28.378 -19.968 1.00 55.13 C ATOM 1562 C LYS A 99 16.449 -28.078 -20.745 1.00 12.45 C ATOM 1563 O LYS A 99 17.282 -28.960 -20.952 1.00 43.11 O ATOM 1564 CB LYS A 99 14.339 -29.422 -20.718 1.00 5.33 C ATOM 1565 CG LYS A 99 13.921 -28.981 -22.110 1.00 13.24 C ATOM 1566 CD LYS A 99 12.794 -29.844 -22.653 1.00 2.04 C ATOM 1567 CE LYS A 99 12.375 -29.402 -24.046 1.00 44.23 C ATOM 1568 NZ LYS A 99 11.092 -30.030 -24.465 1.00 54.41 N ATOM 0 H LYS A 99 13.523 -27.125 -20.298 1.00 1.30 H new ATOM 0 HA LYS A 99 15.446 -28.774 -18.990 1.00 55.13 H new ATOM 0 HB2 LYS A 99 14.914 -30.345 -20.796 1.00 5.33 H new ATOM 0 HB3 LYS A 99 13.447 -29.650 -20.135 1.00 5.33 H new ATOM 0 HG2 LYS A 99 13.602 -27.939 -22.082 1.00 13.24 H new ATOM 0 HG3 LYS A 99 14.777 -29.034 -22.782 1.00 13.24 H new ATOM 0 HD2 LYS A 99 13.113 -30.886 -22.681 1.00 2.04 H new ATOM 0 HD3 LYS A 99 11.938 -29.791 -21.981 1.00 2.04 H new ATOM 0 HE2 LYS A 99 12.272 -28.317 -24.067 1.00 44.23 H new ATOM 0 HE3 LYS A 99 13.157 -29.662 -24.760 1.00 44.23 H new ATOM 0 HZ1 LYS A 99 10.841 -29.703 -25.420 1.00 54.41 H new ATOM 0 HZ2 LYS A 99 11.197 -31.065 -24.470 1.00 54.41 H new ATOM 0 HZ3 LYS A 99 10.340 -29.762 -23.799 1.00 54.41 H new TER 1582 LYS A 99