USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 995 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 46 LYS NZ :NH3+ 164:sc= 1.11 (180deg=1.12) USER MOD Set 1.2: A 93 TYR OH : rot 130:sc= 0.35 USER MOD Set 2.1: A 20 ASN : amide:sc= -0.421 K(o=-0.18,f=-5.5!) USER MOD Set 2.2: A 36 ASN : amide:sc= 0.237 K(o=-0.18,f=-5.5) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0.708 K(o=0.71,f=0) USER MOD Single : A 13 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 16 THR OG1 : rot 80:sc= -0.179 USER MOD Single : A 17 SER OG : rot 107:sc= 0.994 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 29 SER OG : rot 180:sc= 0.00421 USER MOD Single : A 30 SER OG : rot 180:sc=-0.00746 USER MOD Single : A 31 GLN : amide:sc= -0.292 K(o=-0.29,f=-4.5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -116:sc= 0.899 (180deg=-0.131) USER MOD Single : A 39 LYS NZ :NH3+ 150:sc= 0.64 (180deg=-0.0372) USER MOD Single : A 41 ASN : amide:sc= -0.284 X(o=-0.28,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 50 MET CE :methyl 166:sc= -0.307 (180deg=-1.41) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 35:sc= 0.674 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -130:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc=-0.00991 USER MOD Single : A 61 LYS NZ :NH3+ -154:sc= 1.13 (180deg=0.632) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.578 X(o=-0.58,f=-0.56) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.536 K(o=-0.54,f=-1.2) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -173:sc= -0.843 (180deg=-0.907) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 48:sc= 0.0485 USER MOD Single : A 83 GLN : amide:sc= -0.0816 X(o=-0.082,f=-0.29) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl 165:sc= -0.0375 (180deg=-0.324) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 104 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 105 SER OG : rot -40:sc= 1.25 USER MOD Single : A 107 GLN : amide:sc= -0.732 K(o=-0.73,f=-3.2!) USER MOD Single : A 109 LYS NZ :NH3+ 176:sc= 0.4 (180deg=0.394) USER MOD Single : A 112 SER OG : rot 170:sc= -0.297 USER MOD Single : A 113 SER OG : rot 180:sc= 0.034 USER MOD Single : A 115 THR OG1 : rot -28:sc= 1.2 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 63:sc= 0.923 USER MOD Single : A 121 GLN : amide:sc=-0.00966 K(o=-0.0097,f=-0.99) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 4 -20.776 9.775 -0.267 1.00 0.00 N ATOM 34 CA ALA A 4 -19.991 8.587 0.074 1.00 0.00 C ATOM 35 C ALA A 4 -19.573 7.835 -1.199 1.00 0.00 C ATOM 36 O ALA A 4 -19.751 6.614 -1.289 1.00 0.00 O ATOM 37 CB ALA A 4 -20.774 7.680 1.008 1.00 0.00 C ATOM 0 HA ALA A 4 -19.087 8.906 0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -20.175 6.802 1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -21.013 8.220 1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -21.697 7.366 0.521 1.00 0.00 H new ATOM 43 N LEU A 5 -19.054 8.567 -2.189 1.00 0.00 N ATOM 44 CA LEU A 5 -18.641 8.064 -3.495 1.00 0.00 C ATOM 45 C LEU A 5 -17.717 6.871 -3.282 1.00 0.00 C ATOM 46 O LEU A 5 -16.935 6.899 -2.326 1.00 0.00 O ATOM 47 CB LEU A 5 -17.852 9.123 -4.281 1.00 0.00 C ATOM 48 CG LEU A 5 -18.515 10.489 -4.446 1.00 0.00 C ATOM 49 CD1 LEU A 5 -17.499 11.490 -4.991 1.00 0.00 C ATOM 50 CD2 LEU A 5 -19.714 10.411 -5.389 1.00 0.00 C ATOM 0 H LEU A 5 -18.905 9.572 -2.094 1.00 0.00 H new ATOM 0 HA LEU A 5 -19.537 7.795 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.892 9.268 -3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -17.642 8.724 -5.274 1.00 0.00 H new ATOM 0 HG LEU A 5 -18.870 10.816 -3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.974 12.464 -5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -16.663 11.575 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.133 11.147 -5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -20.165 11.398 -5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -19.385 10.064 -6.368 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -20.449 9.715 -4.986 1.00 0.00 H new ATOM 62 N PRO A 6 -17.766 5.852 -4.148 1.00 0.00 N ATOM 63 CA PRO A 6 -16.916 4.685 -4.041 1.00 0.00 C ATOM 64 C PRO A 6 -15.470 5.044 -4.384 1.00 0.00 C ATOM 65 O PRO A 6 -15.169 6.113 -4.903 1.00 0.00 O ATOM 66 CB PRO A 6 -17.504 3.680 -5.033 1.00 0.00 C ATOM 67 CG PRO A 6 -18.058 4.577 -6.135 1.00 0.00 C ATOM 68 CD PRO A 6 -18.514 5.835 -5.391 1.00 0.00 C ATOM 0 HA PRO A 6 -16.889 4.276 -3.031 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -16.746 2.995 -5.412 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -18.284 3.071 -4.577 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -17.298 4.808 -6.882 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -18.886 4.101 -6.659 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -18.315 6.731 -5.979 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -19.587 5.810 -5.201 1.00 0.00 H new ATOM 76 N LEU A 7 -14.575 4.112 -4.084 1.00 0.00 N ATOM 77 CA LEU A 7 -13.148 4.141 -4.370 1.00 0.00 C ATOM 78 C LEU A 7 -12.857 4.298 -5.873 1.00 0.00 C ATOM 79 O LEU A 7 -12.862 3.308 -6.606 1.00 0.00 O ATOM 80 CB LEU A 7 -12.600 2.834 -3.788 1.00 0.00 C ATOM 81 CG LEU A 7 -11.098 2.587 -3.967 1.00 0.00 C ATOM 82 CD1 LEU A 7 -10.362 3.109 -2.736 1.00 0.00 C ATOM 83 CD2 LEU A 7 -10.781 1.098 -4.136 1.00 0.00 C ATOM 0 H LEU A 7 -14.847 3.256 -3.600 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.661 5.007 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.825 2.814 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.140 2.004 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.775 3.107 -4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.292 2.938 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.549 4.177 -2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.719 2.585 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.706 0.967 -4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.114 0.553 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.297 0.714 -5.016 1.00 0.00 H new ATOM 95 N TYR A 8 -12.565 5.520 -6.329 1.00 0.00 N ATOM 96 CA TYR A 8 -12.219 5.844 -7.720 1.00 0.00 C ATOM 97 C TYR A 8 -10.697 5.887 -7.999 1.00 0.00 C ATOM 98 O TYR A 8 -10.273 6.479 -8.993 1.00 0.00 O ATOM 99 CB TYR A 8 -12.950 7.138 -8.136 1.00 0.00 C ATOM 100 CG TYR A 8 -12.847 8.312 -7.174 1.00 0.00 C ATOM 101 CD1 TYR A 8 -11.668 9.081 -7.087 1.00 0.00 C ATOM 102 CD2 TYR A 8 -13.939 8.616 -6.337 1.00 0.00 C ATOM 103 CE1 TYR A 8 -11.568 10.117 -6.138 1.00 0.00 C ATOM 104 CE2 TYR A 8 -13.851 9.648 -5.387 1.00 0.00 C ATOM 105 CZ TYR A 8 -12.653 10.393 -5.273 1.00 0.00 C ATOM 106 OH TYR A 8 -12.544 11.357 -4.320 1.00 0.00 O ATOM 0 H TYR A 8 -12.562 6.339 -5.721 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.567 5.025 -8.350 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.561 7.454 -9.104 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.005 6.904 -8.278 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.840 8.875 -7.749 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.854 8.049 -6.427 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.662 10.701 -6.071 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.692 9.871 -4.748 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.382 11.415 -3.816 1.00 0.00 H new ATOM 116 N TYR A 9 -9.855 5.318 -7.129 1.00 0.00 N ATOM 117 CA TYR A 9 -8.388 5.371 -7.203 1.00 0.00 C ATOM 118 C TYR A 9 -7.793 4.300 -6.287 1.00 0.00 C ATOM 119 O TYR A 9 -8.212 4.229 -5.132 1.00 0.00 O ATOM 120 CB TYR A 9 -7.909 6.748 -6.728 1.00 0.00 C ATOM 121 CG TYR A 9 -6.431 7.012 -6.936 1.00 0.00 C ATOM 122 CD1 TYR A 9 -5.963 7.395 -8.205 1.00 0.00 C ATOM 123 CD2 TYR A 9 -5.534 6.936 -5.853 1.00 0.00 C ATOM 124 CE1 TYR A 9 -4.615 7.741 -8.387 1.00 0.00 C ATOM 125 CE2 TYR A 9 -4.193 7.323 -6.019 1.00 0.00 C ATOM 126 CZ TYR A 9 -3.729 7.735 -7.291 1.00 0.00 C ATOM 127 OH TYR A 9 -2.445 8.145 -7.481 1.00 0.00 O ATOM 0 H TYR A 9 -10.188 4.788 -6.324 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.070 5.197 -8.231 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.478 7.516 -7.252 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.136 6.850 -5.667 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.643 7.423 -9.043 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.877 6.580 -4.893 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.256 8.012 -9.369 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.517 7.306 -5.177 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.954 8.087 -6.635 1.00 0.00 H new ATOM 137 N LEU A 10 -6.817 3.501 -6.721 1.00 0.00 N ATOM 138 CA LEU A 10 -6.191 2.494 -5.859 1.00 0.00 C ATOM 139 C LEU A 10 -4.700 2.476 -6.143 1.00 0.00 C ATOM 140 O LEU A 10 -4.282 2.035 -7.216 1.00 0.00 O ATOM 141 CB LEU A 10 -6.835 1.118 -6.106 1.00 0.00 C ATOM 142 CG LEU A 10 -6.494 -0.006 -5.156 1.00 0.00 C ATOM 143 CD1 LEU A 10 -6.333 0.352 -3.691 1.00 0.00 C ATOM 144 CD2 LEU A 10 -7.448 -1.163 -5.281 1.00 0.00 C ATOM 0 H LEU A 10 -6.441 3.531 -7.669 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.345 2.740 -4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.917 1.249 -6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.564 0.798 -7.112 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.496 -0.286 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.090 -0.545 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.530 1.081 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.264 0.778 -3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.163 -1.947 -4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.460 -0.826 -5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.412 -1.556 -6.297 1.00 0.00 H new ATOM 156 N GLN A 11 -3.876 3.017 -5.246 1.00 0.00 N ATOM 157 CA GLN A 11 -2.480 3.264 -5.569 1.00 0.00 C ATOM 158 C GLN A 11 -1.627 3.237 -4.310 1.00 0.00 C ATOM 159 O GLN A 11 -2.003 3.821 -3.295 1.00 0.00 O ATOM 160 CB GLN A 11 -2.392 4.632 -6.252 1.00 0.00 C ATOM 161 CG GLN A 11 -1.306 4.695 -7.325 1.00 0.00 C ATOM 162 CD GLN A 11 -1.784 4.498 -8.762 1.00 0.00 C ATOM 163 OE1 GLN A 11 -1.369 5.244 -9.642 1.00 0.00 O ATOM 164 NE2 GLN A 11 -2.591 3.488 -9.056 1.00 0.00 N ATOM 0 H GLN A 11 -4.151 3.288 -4.302 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.104 2.487 -6.234 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.355 4.869 -6.704 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.196 5.396 -5.499 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.809 5.662 -7.256 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.557 3.935 -7.103 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.930 2.874 -8.316 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.873 3.325 -10.023 1.00 0.00 H new ATOM 173 N ILE A 12 -0.464 2.586 -4.386 1.00 0.00 N ATOM 174 CA ILE A 12 0.380 2.320 -3.220 1.00 0.00 C ATOM 175 C ILE A 12 0.909 3.620 -2.586 1.00 0.00 C ATOM 176 O ILE A 12 0.973 3.677 -1.363 1.00 0.00 O ATOM 177 CB ILE A 12 1.480 1.305 -3.605 1.00 0.00 C ATOM 178 CG1 ILE A 12 0.922 0.008 -4.234 1.00 0.00 C ATOM 179 CG2 ILE A 12 2.409 0.907 -2.441 1.00 0.00 C ATOM 180 CD1 ILE A 12 -0.313 -0.614 -3.569 1.00 0.00 C ATOM 0 H ILE A 12 -0.080 2.228 -5.261 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.216 1.861 -2.431 1.00 0.00 H new ATOM 0 HB ILE A 12 2.063 1.852 -4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.677 0.215 -5.276 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.717 -0.737 -4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.152 0.192 -2.796 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.913 1.794 -2.058 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.820 0.452 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.600 -1.517 -4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.081 -0.867 -2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.137 0.100 -3.592 1.00 0.00 H new ATOM 192 N THR A 13 1.153 4.680 -3.369 1.00 0.00 N ATOM 193 CA THR A 13 1.381 6.061 -2.926 1.00 0.00 C ATOM 194 C THR A 13 2.707 6.290 -2.178 1.00 0.00 C ATOM 195 O THR A 13 3.533 7.075 -2.651 1.00 0.00 O ATOM 196 CB THR A 13 0.126 6.565 -2.194 1.00 0.00 C ATOM 197 OG1 THR A 13 -1.010 6.337 -3.017 1.00 0.00 O ATOM 198 CG2 THR A 13 0.158 8.061 -1.921 1.00 0.00 C ATOM 0 H THR A 13 1.199 4.591 -4.384 1.00 0.00 H new ATOM 0 HA THR A 13 1.528 6.682 -3.809 1.00 0.00 H new ATOM 0 HB THR A 13 0.085 6.029 -1.246 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.321 5.415 -2.897 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.754 8.356 -1.403 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.021 8.299 -1.300 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.230 8.602 -2.865 1.00 0.00 H new ATOM 206 N GLY A 14 2.961 5.605 -1.065 1.00 0.00 N ATOM 207 CA GLY A 14 4.271 5.541 -0.437 1.00 0.00 C ATOM 208 C GLY A 14 4.475 4.149 0.138 1.00 0.00 C ATOM 209 O GLY A 14 3.499 3.465 0.479 1.00 0.00 O ATOM 0 H GLY A 14 2.247 5.071 -0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.050 5.765 -1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.348 6.289 0.352 1.00 0.00 H new ATOM 213 N ILE A 15 5.733 3.735 0.277 1.00 0.00 N ATOM 214 CA ILE A 15 6.093 2.415 0.764 1.00 0.00 C ATOM 215 C ILE A 15 7.362 2.503 1.602 1.00 0.00 C ATOM 216 O ILE A 15 8.281 3.255 1.273 1.00 0.00 O ATOM 217 CB ILE A 15 6.252 1.467 -0.441 1.00 0.00 C ATOM 218 CG1 ILE A 15 6.154 0.006 0.030 1.00 0.00 C ATOM 219 CG2 ILE A 15 7.529 1.728 -1.271 1.00 0.00 C ATOM 220 CD1 ILE A 15 6.031 -0.943 -1.157 1.00 0.00 C ATOM 0 H ILE A 15 6.538 4.319 0.050 1.00 0.00 H new ATOM 0 HA ILE A 15 5.310 2.015 1.409 1.00 0.00 H new ATOM 0 HB ILE A 15 5.431 1.674 -1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.036 -0.251 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.291 -0.112 0.685 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.573 1.024 -2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.509 2.746 -1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.407 1.599 -0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.963 -1.969 -0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.135 -0.699 -1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.907 -0.840 -1.797 1.00 0.00 H new ATOM 232 N THR A 16 7.438 1.693 2.646 1.00 0.00 N ATOM 233 CA THR A 16 8.655 1.523 3.420 1.00 0.00 C ATOM 234 C THR A 16 8.616 0.169 4.133 1.00 0.00 C ATOM 235 O THR A 16 7.668 -0.605 3.970 1.00 0.00 O ATOM 236 CB THR A 16 8.857 2.751 4.339 1.00 0.00 C ATOM 237 OG1 THR A 16 10.095 2.676 5.004 1.00 0.00 O ATOM 238 CG2 THR A 16 7.772 2.924 5.406 1.00 0.00 C ATOM 0 H THR A 16 6.654 1.133 2.981 1.00 0.00 H new ATOM 0 HA THR A 16 9.540 1.491 2.784 1.00 0.00 H new ATOM 0 HB THR A 16 8.809 3.608 3.667 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.809 2.966 4.399 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.990 3.807 6.006 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.802 3.043 4.923 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.751 2.044 6.049 1.00 0.00 H new ATOM 246 N SER A 17 9.646 -0.126 4.916 1.00 0.00 N ATOM 247 CA SER A 17 9.766 -1.311 5.726 1.00 0.00 C ATOM 248 C SER A 17 10.371 -0.918 7.077 1.00 0.00 C ATOM 249 O SER A 17 10.968 0.153 7.235 1.00 0.00 O ATOM 250 CB SER A 17 10.604 -2.347 4.955 1.00 0.00 C ATOM 251 OG SER A 17 11.924 -1.874 4.785 1.00 0.00 O ATOM 0 H SER A 17 10.454 0.490 5.001 1.00 0.00 H new ATOM 0 HA SER A 17 8.799 -1.770 5.931 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.615 -3.293 5.497 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.151 -2.542 3.983 1.00 0.00 H new ATOM 0 HG SER A 17 12.528 -2.369 5.378 1.00 0.00 H new ATOM 257 N ASP A 18 10.241 -1.809 8.050 1.00 0.00 N ATOM 258 CA ASP A 18 10.723 -1.660 9.421 1.00 0.00 C ATOM 259 C ASP A 18 12.243 -1.602 9.516 1.00 0.00 C ATOM 260 O ASP A 18 12.751 -1.082 10.511 1.00 0.00 O ATOM 261 CB ASP A 18 10.196 -2.832 10.266 1.00 0.00 C ATOM 262 CG ASP A 18 10.780 -4.186 9.840 1.00 0.00 C ATOM 263 OD1 ASP A 18 10.668 -4.513 8.635 1.00 0.00 O ATOM 264 OD2 ASP A 18 11.278 -4.922 10.716 1.00 0.00 O ATOM 0 H ASP A 18 9.773 -2.702 7.899 1.00 0.00 H new ATOM 0 HA ASP A 18 10.349 -0.708 9.798 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.434 -2.653 11.315 1.00 0.00 H new ATOM 0 HB3 ASP A 18 9.109 -2.870 10.188 1.00 0.00 H new ATOM 269 N GLY A 19 12.960 -2.068 8.487 1.00 0.00 N ATOM 270 CA GLY A 19 14.409 -2.011 8.406 1.00 0.00 C ATOM 271 C GLY A 19 14.948 -0.844 7.573 1.00 0.00 C ATOM 272 O GLY A 19 16.170 -0.692 7.530 1.00 0.00 O ATOM 0 H GLY A 19 12.530 -2.504 7.671 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.815 -1.940 9.415 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.775 -2.945 7.980 1.00 0.00 H new ATOM 276 N ASN A 20 14.103 -0.027 6.922 1.00 0.00 N ATOM 277 CA ASN A 20 14.540 1.058 6.021 1.00 0.00 C ATOM 278 C ASN A 20 14.396 2.451 6.640 1.00 0.00 C ATOM 279 O ASN A 20 14.450 3.451 5.922 1.00 0.00 O ATOM 280 CB ASN A 20 13.875 0.965 4.627 1.00 0.00 C ATOM 281 CG ASN A 20 14.734 0.186 3.629 1.00 0.00 C ATOM 282 OD1 ASN A 20 15.491 -0.707 4.013 1.00 0.00 O ATOM 283 ND2 ASN A 20 14.703 0.515 2.350 1.00 0.00 N ATOM 0 H ASN A 20 13.089 -0.100 7.006 1.00 0.00 H new ATOM 0 HA ASN A 20 15.609 0.908 5.873 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.902 0.482 4.722 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.696 1.970 4.244 1.00 0.00 H new ATOM 0 HD21 ASN A 20 15.304 0.030 1.684 1.00 0.00 H new ATOM 0 HD22 ASN A 20 14.078 1.254 2.028 1.00 0.00 H new ATOM 290 N ASP A 21 14.256 2.544 7.960 1.00 0.00 N ATOM 291 CA ASP A 21 14.160 3.798 8.708 1.00 0.00 C ATOM 292 C ASP A 21 12.845 4.523 8.436 1.00 0.00 C ATOM 293 O ASP A 21 12.775 5.751 8.512 1.00 0.00 O ATOM 294 CB ASP A 21 15.371 4.720 8.465 1.00 0.00 C ATOM 295 CG ASP A 21 15.644 5.576 9.698 1.00 0.00 C ATOM 296 OD1 ASP A 21 15.885 4.992 10.783 1.00 0.00 O ATOM 297 OD2 ASP A 21 15.564 6.824 9.599 1.00 0.00 O ATOM 0 H ASP A 21 14.204 1.721 8.560 1.00 0.00 H new ATOM 0 HA ASP A 21 14.173 3.528 9.764 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.250 4.121 8.228 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.181 5.361 7.604 1.00 0.00 H new ATOM 302 N PHE A 22 11.804 3.766 8.070 1.00 0.00 N ATOM 303 CA PHE A 22 10.498 4.289 7.691 1.00 0.00 C ATOM 304 C PHE A 22 10.605 5.295 6.529 1.00 0.00 C ATOM 305 O PHE A 22 9.785 6.211 6.423 1.00 0.00 O ATOM 306 CB PHE A 22 9.754 4.826 8.927 1.00 0.00 C ATOM 307 CG PHE A 22 9.385 3.771 9.958 1.00 0.00 C ATOM 308 CD1 PHE A 22 10.360 3.194 10.794 1.00 0.00 C ATOM 309 CD2 PHE A 22 8.041 3.380 10.108 1.00 0.00 C ATOM 310 CE1 PHE A 22 9.995 2.251 11.767 1.00 0.00 C ATOM 311 CE2 PHE A 22 7.672 2.438 11.081 1.00 0.00 C ATOM 312 CZ PHE A 22 8.650 1.870 11.911 1.00 0.00 C ATOM 0 H PHE A 22 11.854 2.748 8.030 1.00 0.00 H new ATOM 0 HA PHE A 22 9.887 3.475 7.300 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.375 5.582 9.408 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.843 5.325 8.597 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.396 3.479 10.686 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.285 3.810 9.467 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.749 1.817 12.407 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.637 2.151 11.191 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.370 1.142 12.658 1.00 0.00 H new ATOM 322 N ALA A 23 11.625 5.156 5.669 1.00 0.00 N ATOM 323 CA ALA A 23 11.797 5.949 4.463 1.00 0.00 C ATOM 324 C ALA A 23 10.648 5.741 3.458 1.00 0.00 C ATOM 325 O ALA A 23 10.749 4.912 2.556 1.00 0.00 O ATOM 326 CB ALA A 23 13.184 5.683 3.871 1.00 0.00 C ATOM 0 H ALA A 23 12.367 4.469 5.805 1.00 0.00 H new ATOM 0 HA ALA A 23 11.745 7.007 4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.314 6.277 2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.949 5.957 4.598 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.278 4.625 3.626 1.00 0.00 H new ATOM 332 N TRP A 24 9.544 6.468 3.639 1.00 0.00 N ATOM 333 CA TRP A 24 8.260 6.323 2.949 1.00 0.00 C ATOM 334 C TRP A 24 8.263 6.533 1.439 1.00 0.00 C ATOM 335 O TRP A 24 7.291 6.134 0.795 1.00 0.00 O ATOM 336 CB TRP A 24 7.268 7.297 3.590 1.00 0.00 C ATOM 337 CG TRP A 24 6.501 6.708 4.724 1.00 0.00 C ATOM 338 CD1 TRP A 24 6.556 7.099 6.012 1.00 0.00 C ATOM 339 CD2 TRP A 24 5.581 5.585 4.688 1.00 0.00 C ATOM 340 NE1 TRP A 24 5.668 6.355 6.759 1.00 0.00 N ATOM 341 CE2 TRP A 24 5.037 5.400 5.990 1.00 0.00 C ATOM 342 CE3 TRP A 24 5.147 4.714 3.672 1.00 0.00 C ATOM 343 CZ2 TRP A 24 4.087 4.408 6.258 1.00 0.00 C ATOM 344 CZ3 TRP A 24 4.220 3.694 3.939 1.00 0.00 C ATOM 345 CH2 TRP A 24 3.697 3.529 5.233 1.00 0.00 C ATOM 0 H TRP A 24 9.522 7.227 4.320 1.00 0.00 H new ATOM 0 HA TRP A 24 7.983 5.276 3.070 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.810 8.173 3.945 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.568 7.642 2.829 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.198 7.876 6.400 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.499 6.493 7.755 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.533 4.832 2.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.657 4.319 7.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.907 3.032 3.145 1.00 0.00 H new ATOM 0 HH2 TRP A 24 2.999 2.731 5.439 1.00 0.00 H new ATOM 356 N ASP A 25 9.283 7.212 0.924 1.00 0.00 N ATOM 357 CA ASP A 25 9.732 7.239 -0.469 1.00 0.00 C ATOM 358 C ASP A 25 8.567 7.348 -1.455 1.00 0.00 C ATOM 359 O ASP A 25 8.124 6.336 -2.003 1.00 0.00 O ATOM 360 CB ASP A 25 10.637 6.043 -0.774 1.00 0.00 C ATOM 361 CG ASP A 25 12.113 6.315 -0.499 1.00 0.00 C ATOM 362 OD1 ASP A 25 12.483 6.784 0.603 1.00 0.00 O ATOM 363 OD2 ASP A 25 12.937 6.013 -1.387 1.00 0.00 O ATOM 0 H ASP A 25 9.865 7.806 1.515 1.00 0.00 H new ATOM 0 HA ASP A 25 10.324 8.144 -0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.315 5.191 -0.176 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.516 5.762 -1.820 1.00 0.00 H new ATOM 368 N ASN A 26 8.044 8.559 -1.681 1.00 0.00 N ATOM 369 CA ASN A 26 6.860 8.753 -2.530 1.00 0.00 C ATOM 370 C ASN A 26 7.093 8.163 -3.910 1.00 0.00 C ATOM 371 O ASN A 26 8.088 8.483 -4.573 1.00 0.00 O ATOM 372 CB ASN A 26 6.464 10.230 -2.659 1.00 0.00 C ATOM 373 CG ASN A 26 5.456 10.618 -1.591 1.00 0.00 C ATOM 374 OD1 ASN A 26 4.298 10.891 -1.868 1.00 0.00 O ATOM 375 ND2 ASN A 26 5.859 10.663 -0.333 1.00 0.00 N ATOM 0 H ASN A 26 8.422 9.421 -1.288 1.00 0.00 H new ATOM 0 HA ASN A 26 6.036 8.233 -2.042 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.351 10.857 -2.572 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.041 10.412 -3.647 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.204 10.925 0.403 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.825 10.436 -0.099 1.00 0.00 H new ATOM 382 N LEU A 27 6.169 7.300 -4.329 1.00 0.00 N ATOM 383 CA LEU A 27 6.328 6.556 -5.563 1.00 0.00 C ATOM 384 C LEU A 27 6.233 7.525 -6.734 1.00 0.00 C ATOM 385 O LEU A 27 5.447 8.483 -6.696 1.00 0.00 O ATOM 386 CB LEU A 27 5.250 5.475 -5.712 1.00 0.00 C ATOM 387 CG LEU A 27 5.050 4.533 -4.517 1.00 0.00 C ATOM 388 CD1 LEU A 27 4.184 3.345 -4.914 1.00 0.00 C ATOM 389 CD2 LEU A 27 6.298 3.996 -3.823 1.00 0.00 C ATOM 0 H LEU A 27 5.303 7.103 -3.826 1.00 0.00 H new ATOM 0 HA LEU A 27 7.300 6.062 -5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.300 5.968 -5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.493 4.870 -6.586 1.00 0.00 H new ATOM 0 HG LEU A 27 4.574 5.183 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.052 2.687 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.210 3.701 -5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.668 2.795 -5.721 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.005 3.345 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.896 3.430 -4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.886 4.828 -3.436 1.00 0.00 H new ATOM 401 N THR A 28 6.972 7.239 -7.798 1.00 0.00 N ATOM 402 CA THR A 28 6.729 7.898 -9.068 1.00 0.00 C ATOM 403 C THR A 28 5.320 7.533 -9.558 1.00 0.00 C ATOM 404 O THR A 28 4.810 6.438 -9.311 1.00 0.00 O ATOM 405 CB THR A 28 7.798 7.582 -10.130 1.00 0.00 C ATOM 406 OG1 THR A 28 8.425 6.317 -10.088 1.00 0.00 O ATOM 407 CG2 THR A 28 8.902 8.640 -10.154 1.00 0.00 C ATOM 0 H THR A 28 7.735 6.563 -7.805 1.00 0.00 H new ATOM 0 HA THR A 28 6.796 8.974 -8.908 1.00 0.00 H new ATOM 0 HB THR A 28 7.191 7.580 -11.036 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.077 6.251 -10.817 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.637 8.382 -10.916 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.468 9.613 -10.383 1.00 0.00 H new ATOM 0 HG23 THR A 28 9.389 8.680 -9.179 1.00 0.00 H new ATOM 415 N SER A 29 4.705 8.450 -10.301 1.00 0.00 N ATOM 416 CA SER A 29 3.312 8.369 -10.736 1.00 0.00 C ATOM 417 C SER A 29 3.066 7.262 -11.770 1.00 0.00 C ATOM 418 O SER A 29 1.930 6.984 -12.147 1.00 0.00 O ATOM 419 CB SER A 29 2.896 9.718 -11.319 1.00 0.00 C ATOM 420 OG SER A 29 3.392 10.793 -10.534 1.00 0.00 O ATOM 0 H SER A 29 5.175 9.294 -10.627 1.00 0.00 H new ATOM 0 HA SER A 29 2.712 8.118 -9.862 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.270 9.807 -12.339 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.809 9.774 -11.372 1.00 0.00 H new ATOM 0 HG SER A 29 3.112 11.644 -10.931 1.00 0.00 H new ATOM 426 N SER A 30 4.127 6.641 -12.279 1.00 0.00 N ATOM 427 CA SER A 30 4.068 5.443 -13.101 1.00 0.00 C ATOM 428 C SER A 30 5.253 4.549 -12.739 1.00 0.00 C ATOM 429 O SER A 30 5.902 3.966 -13.604 1.00 0.00 O ATOM 430 CB SER A 30 4.024 5.828 -14.581 1.00 0.00 C ATOM 431 OG SER A 30 3.028 6.821 -14.799 1.00 0.00 O ATOM 0 H SER A 30 5.080 6.971 -12.124 1.00 0.00 H new ATOM 0 HA SER A 30 3.157 4.876 -12.910 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.998 6.203 -14.896 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.810 4.948 -15.187 1.00 0.00 H new ATOM 0 HG SER A 30 3.009 7.062 -15.749 1.00 0.00 H new ATOM 437 N GLN A 31 5.572 4.496 -11.442 1.00 0.00 N ATOM 438 CA GLN A 31 6.530 3.540 -10.922 1.00 0.00 C ATOM 439 C GLN A 31 6.005 2.138 -11.233 1.00 0.00 C ATOM 440 O GLN A 31 4.791 1.893 -11.215 1.00 0.00 O ATOM 441 CB GLN A 31 6.697 3.730 -9.406 1.00 0.00 C ATOM 442 CG GLN A 31 7.933 3.044 -8.835 1.00 0.00 C ATOM 443 CD GLN A 31 8.028 3.166 -7.319 1.00 0.00 C ATOM 444 OE1 GLN A 31 7.486 2.338 -6.599 1.00 0.00 O ATOM 445 NE2 GLN A 31 8.687 4.194 -6.805 1.00 0.00 N ATOM 0 H GLN A 31 5.172 5.113 -10.735 1.00 0.00 H new ATOM 0 HA GLN A 31 7.506 3.686 -11.385 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.750 4.796 -9.186 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.812 3.344 -8.901 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.917 1.989 -9.110 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.825 3.478 -9.287 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.132 4.874 -7.421 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.749 4.305 -5.793 1.00 0.00 H new ATOM 454 N THR A 32 6.935 1.224 -11.469 1.00 0.00 N ATOM 455 CA THR A 32 6.687 -0.192 -11.689 1.00 0.00 C ATOM 456 C THR A 32 7.701 -1.058 -10.936 1.00 0.00 C ATOM 457 O THR A 32 7.559 -2.284 -10.898 1.00 0.00 O ATOM 458 CB THR A 32 6.681 -0.460 -13.201 1.00 0.00 C ATOM 459 OG1 THR A 32 7.742 0.219 -13.858 1.00 0.00 O ATOM 460 CG2 THR A 32 5.348 0.021 -13.780 1.00 0.00 C ATOM 0 H THR A 32 7.926 1.460 -11.514 1.00 0.00 H new ATOM 0 HA THR A 32 5.712 -0.467 -11.287 1.00 0.00 H new ATOM 0 HB THR A 32 6.814 -1.530 -13.360 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.710 0.025 -14.818 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.330 -0.163 -14.854 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.529 -0.519 -13.305 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.234 1.089 -13.593 1.00 0.00 H new ATOM 468 N LYS A 33 8.700 -0.449 -10.288 1.00 0.00 N ATOM 469 CA LYS A 33 9.657 -1.161 -9.448 1.00 0.00 C ATOM 470 C LYS A 33 10.100 -0.269 -8.301 1.00 0.00 C ATOM 471 O LYS A 33 10.144 0.952 -8.458 1.00 0.00 O ATOM 472 CB LYS A 33 10.848 -1.670 -10.293 1.00 0.00 C ATOM 473 CG LYS A 33 11.397 -2.990 -9.731 1.00 0.00 C ATOM 474 CD LYS A 33 12.582 -2.866 -8.744 1.00 0.00 C ATOM 475 CE LYS A 33 13.898 -3.442 -9.304 1.00 0.00 C ATOM 476 NZ LYS A 33 14.101 -4.879 -9.003 1.00 0.00 N ATOM 0 H LYS A 33 8.864 0.557 -10.335 1.00 0.00 H new ATOM 0 HA LYS A 33 9.179 -2.040 -9.016 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.531 -1.814 -11.326 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.638 -0.919 -10.304 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.584 -3.514 -9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 33 11.710 -3.616 -10.567 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.730 -1.816 -8.493 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.331 -3.383 -7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.914 -3.302 -10.385 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.734 -2.874 -8.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.936 -4.991 -8.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.263 -5.253 -8.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.247 -5.402 -9.890 1.00 0.00 H new ATOM 490 N ALA A 34 10.360 -0.887 -7.151 1.00 0.00 N ATOM 491 CA ALA A 34 10.693 -0.208 -5.906 1.00 0.00 C ATOM 492 C ALA A 34 11.972 0.614 -6.082 1.00 0.00 C ATOM 493 O ALA A 34 12.792 0.273 -6.939 1.00 0.00 O ATOM 494 CB ALA A 34 10.883 -1.262 -4.807 1.00 0.00 C ATOM 0 H ALA A 34 10.344 -1.903 -7.060 1.00 0.00 H new ATOM 0 HA ALA A 34 9.887 0.471 -5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.133 -0.768 -3.868 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.961 -1.830 -4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.691 -1.938 -5.087 1.00 0.00 H new ATOM 500 N PRO A 35 12.186 1.661 -5.269 1.00 0.00 N ATOM 501 CA PRO A 35 13.377 2.494 -5.367 1.00 0.00 C ATOM 502 C PRO A 35 14.642 1.726 -4.974 1.00 0.00 C ATOM 503 O PRO A 35 15.673 1.876 -5.626 1.00 0.00 O ATOM 504 CB PRO A 35 13.112 3.679 -4.437 1.00 0.00 C ATOM 505 CG PRO A 35 12.099 3.145 -3.424 1.00 0.00 C ATOM 506 CD PRO A 35 11.268 2.181 -4.266 1.00 0.00 C ATOM 0 HA PRO A 35 13.558 2.822 -6.391 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.027 4.012 -3.947 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.714 4.533 -4.985 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.586 2.639 -2.590 1.00 0.00 H new ATOM 0 HG3 PRO A 35 11.489 3.943 -3.000 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.857 1.378 -3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 35 10.424 2.691 -4.731 1.00 0.00 H new ATOM 514 N ASN A 36 14.571 0.905 -3.920 1.00 0.00 N ATOM 515 CA ASN A 36 15.609 -0.004 -3.462 1.00 0.00 C ATOM 516 C ASN A 36 14.928 -1.145 -2.694 1.00 0.00 C ATOM 517 O ASN A 36 13.728 -1.070 -2.410 1.00 0.00 O ATOM 518 CB ASN A 36 16.618 0.743 -2.566 1.00 0.00 C ATOM 519 CG ASN A 36 16.049 1.080 -1.192 1.00 0.00 C ATOM 520 OD1 ASN A 36 16.170 0.319 -0.237 1.00 0.00 O ATOM 521 ND2 ASN A 36 15.452 2.241 -1.023 1.00 0.00 N ATOM 0 H ASN A 36 13.736 0.860 -3.335 1.00 0.00 H new ATOM 0 HA ASN A 36 16.165 -0.408 -4.308 1.00 0.00 H new ATOM 0 HB2 ASN A 36 17.512 0.131 -2.444 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.927 1.663 -3.062 1.00 0.00 H new ATOM 0 HD21 ASN A 36 15.095 2.502 -0.104 1.00 0.00 H new ATOM 0 HD22 ASN A 36 15.347 2.880 -1.811 1.00 0.00 H new ATOM 528 N VAL A 37 15.678 -2.182 -2.336 1.00 0.00 N ATOM 529 CA VAL A 37 15.239 -3.232 -1.420 1.00 0.00 C ATOM 530 C VAL A 37 15.184 -2.755 0.019 1.00 0.00 C ATOM 531 O VAL A 37 16.170 -2.458 0.688 1.00 0.00 O ATOM 532 CB VAL A 37 16.030 -4.523 -1.604 1.00 0.00 C ATOM 533 CG1 VAL A 37 17.498 -4.324 -1.759 1.00 0.00 C ATOM 534 CG2 VAL A 37 15.748 -5.595 -0.562 1.00 0.00 C ATOM 0 H VAL A 37 16.628 -2.320 -2.681 1.00 0.00 H new ATOM 0 HA VAL A 37 14.210 -3.477 -1.684 1.00 0.00 H new ATOM 0 HB VAL A 37 15.649 -4.896 -2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.985 -5.291 -1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.691 -3.704 -2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 37 17.894 -3.831 -0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.355 -6.476 -0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 37 15.995 -5.213 0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.693 -5.865 -0.594 1.00 0.00 H new ATOM 544 N LEU A 38 13.947 -2.781 0.457 1.00 0.00 N ATOM 545 CA LEU A 38 13.385 -2.677 1.773 1.00 0.00 C ATOM 546 C LEU A 38 13.921 -3.805 2.666 1.00 0.00 C ATOM 547 O LEU A 38 13.643 -4.971 2.386 1.00 0.00 O ATOM 548 CB LEU A 38 11.874 -2.757 1.616 1.00 0.00 C ATOM 549 CG LEU A 38 11.291 -2.113 0.361 1.00 0.00 C ATOM 550 CD1 LEU A 38 11.608 -0.629 0.148 1.00 0.00 C ATOM 551 CD2 LEU A 38 11.305 -2.984 -0.868 1.00 0.00 C ATOM 0 H LEU A 38 13.195 -2.895 -0.222 1.00 0.00 H new ATOM 0 HA LEU A 38 13.661 -1.738 2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.584 -3.808 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.414 -2.289 2.486 1.00 0.00 H new ATOM 0 HG LEU A 38 10.228 -2.057 0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.140 -0.286 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.222 -0.050 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.687 -0.494 0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.871 -2.438 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.332 -3.259 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.722 -3.886 -0.681 1.00 0.00 H new ATOM 563 N LYS A 39 14.672 -3.505 3.729 1.00 0.00 N ATOM 564 CA LYS A 39 15.059 -4.531 4.709 1.00 0.00 C ATOM 565 C LYS A 39 13.974 -4.702 5.770 1.00 0.00 C ATOM 566 O LYS A 39 13.190 -3.784 5.984 1.00 0.00 O ATOM 567 CB LYS A 39 16.409 -4.177 5.363 1.00 0.00 C ATOM 568 CG LYS A 39 17.619 -4.599 4.508 1.00 0.00 C ATOM 569 CD LYS A 39 18.560 -3.440 4.134 1.00 0.00 C ATOM 570 CE LYS A 39 17.889 -2.601 3.045 1.00 0.00 C ATOM 571 NZ LYS A 39 18.710 -2.460 1.827 1.00 0.00 N ATOM 0 H LYS A 39 15.023 -2.570 3.935 1.00 0.00 H new ATOM 0 HA LYS A 39 15.173 -5.479 4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.451 -3.102 5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.473 -4.661 6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.188 -5.354 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.258 -5.069 3.593 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.771 -2.826 5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.515 -3.827 3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.935 -3.057 2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.669 -1.610 3.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 18.089 -2.359 0.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.314 -1.617 1.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.307 -3.304 1.711 1.00 0.00 H new ATOM 585 N GLY A 40 13.979 -5.819 6.501 1.00 0.00 N ATOM 586 CA GLY A 40 13.255 -5.981 7.766 1.00 0.00 C ATOM 587 C GLY A 40 12.058 -6.941 7.717 1.00 0.00 C ATOM 588 O GLY A 40 11.677 -7.496 8.746 1.00 0.00 O ATOM 0 H GLY A 40 14.497 -6.654 6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.954 -6.336 8.523 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.902 -5.003 8.092 1.00 0.00 H new ATOM 592 N ASN A 41 11.518 -7.219 6.523 1.00 0.00 N ATOM 593 CA ASN A 41 10.399 -8.121 6.220 1.00 0.00 C ATOM 594 C ASN A 41 9.017 -7.563 6.578 1.00 0.00 C ATOM 595 O ASN A 41 8.027 -8.133 6.110 1.00 0.00 O ATOM 596 CB ASN A 41 10.566 -9.501 6.875 1.00 0.00 C ATOM 597 CG ASN A 41 9.885 -10.641 6.123 1.00 0.00 C ATOM 598 OD1 ASN A 41 10.523 -11.360 5.361 1.00 0.00 O ATOM 599 ND2 ASN A 41 8.600 -10.872 6.328 1.00 0.00 N ATOM 0 H ASN A 41 11.882 -6.784 5.675 1.00 0.00 H new ATOM 0 HA ASN A 41 10.438 -8.221 5.135 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.630 -9.723 6.961 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.166 -9.460 7.888 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.139 -11.648 5.853 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.069 -10.274 6.962 1.00 0.00 H new ATOM 606 N LYS A 42 8.888 -6.478 7.352 1.00 0.00 N ATOM 607 CA LYS A 42 7.595 -5.793 7.462 1.00 0.00 C ATOM 608 C LYS A 42 7.469 -4.927 6.223 1.00 0.00 C ATOM 609 O LYS A 42 8.388 -4.166 5.930 1.00 0.00 O ATOM 610 CB LYS A 42 7.518 -4.887 8.702 1.00 0.00 C ATOM 611 CG LYS A 42 7.693 -5.616 10.040 1.00 0.00 C ATOM 612 CD LYS A 42 6.388 -6.269 10.504 1.00 0.00 C ATOM 613 CE LYS A 42 6.605 -6.983 11.840 1.00 0.00 C ATOM 614 NZ LYS A 42 7.295 -8.275 11.666 1.00 0.00 N ATOM 0 H LYS A 42 9.643 -6.064 7.899 1.00 0.00 H new ATOM 0 HA LYS A 42 6.798 -6.531 7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.285 -4.117 8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.554 -4.378 8.704 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.466 -6.378 9.941 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.036 -4.910 10.797 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.611 -5.512 10.609 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.041 -6.980 9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.190 -6.345 12.502 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.643 -7.147 12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.423 -8.728 12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.725 -8.894 11.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.224 -8.116 11.227 1.00 0.00 H new ATOM 628 N LEU A 43 6.357 -5.010 5.502 1.00 0.00 N ATOM 629 CA LEU A 43 6.121 -4.189 4.326 1.00 0.00 C ATOM 630 C LEU A 43 4.992 -3.223 4.661 1.00 0.00 C ATOM 631 O LEU A 43 3.820 -3.613 4.725 1.00 0.00 O ATOM 632 CB LEU A 43 5.853 -5.065 3.087 1.00 0.00 C ATOM 633 CG LEU A 43 6.661 -4.585 1.867 1.00 0.00 C ATOM 634 CD1 LEU A 43 6.310 -5.415 0.630 1.00 0.00 C ATOM 635 CD2 LEU A 43 6.445 -3.110 1.522 1.00 0.00 C ATOM 0 H LEU A 43 5.594 -5.651 5.719 1.00 0.00 H new ATOM 0 HA LEU A 43 7.003 -3.605 4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.111 -6.100 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.789 -5.045 2.850 1.00 0.00 H new ATOM 0 HG LEU A 43 7.706 -4.713 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.891 -5.061 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.542 -6.463 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.247 -5.312 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.048 -2.848 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.392 -2.939 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.742 -2.491 2.369 1.00 0.00 H new ATOM 647 N TYR A 44 5.346 -1.969 4.936 1.00 0.00 N ATOM 648 CA TYR A 44 4.405 -0.921 5.284 1.00 0.00 C ATOM 649 C TYR A 44 4.002 -0.188 4.011 1.00 0.00 C ATOM 650 O TYR A 44 4.803 0.515 3.398 1.00 0.00 O ATOM 651 CB TYR A 44 5.010 0.042 6.311 1.00 0.00 C ATOM 652 CG TYR A 44 5.460 -0.610 7.606 1.00 0.00 C ATOM 653 CD1 TYR A 44 4.601 -1.473 8.319 1.00 0.00 C ATOM 654 CD2 TYR A 44 6.739 -0.322 8.119 1.00 0.00 C ATOM 655 CE1 TYR A 44 5.033 -2.057 9.524 1.00 0.00 C ATOM 656 CE2 TYR A 44 7.163 -0.883 9.333 1.00 0.00 C ATOM 657 CZ TYR A 44 6.311 -1.757 10.043 1.00 0.00 C ATOM 658 OH TYR A 44 6.708 -2.306 11.225 1.00 0.00 O ATOM 0 H TYR A 44 6.316 -1.653 4.921 1.00 0.00 H new ATOM 0 HA TYR A 44 3.520 -1.361 5.744 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.864 0.545 5.858 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.274 0.811 6.544 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.612 -1.685 7.940 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.399 0.336 7.574 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.384 -2.738 10.054 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.141 -0.646 9.725 1.00 0.00 H new ATOM 0 HH TYR A 44 6.278 -3.179 11.341 1.00 0.00 H new ATOM 668 N VAL A 45 2.744 -0.355 3.612 1.00 0.00 N ATOM 669 CA VAL A 45 2.151 0.391 2.511 1.00 0.00 C ATOM 670 C VAL A 45 1.306 1.529 3.096 1.00 0.00 C ATOM 671 O VAL A 45 0.726 1.367 4.180 1.00 0.00 O ATOM 672 CB VAL A 45 1.333 -0.584 1.643 1.00 0.00 C ATOM 673 CG1 VAL A 45 0.574 0.151 0.539 1.00 0.00 C ATOM 674 CG2 VAL A 45 2.207 -1.693 1.040 1.00 0.00 C ATOM 0 H VAL A 45 2.104 -1.018 4.049 1.00 0.00 H new ATOM 0 HA VAL A 45 2.907 0.842 1.868 1.00 0.00 H new ATOM 0 HB VAL A 45 0.607 -1.055 2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.008 -0.568 -0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.110 0.872 0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.282 0.674 -0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.588 -2.356 0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.979 -1.247 0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.675 -2.264 1.842 1.00 0.00 H new ATOM 684 N LYS A 46 1.195 2.646 2.362 1.00 0.00 N ATOM 685 CA LYS A 46 0.347 3.795 2.682 1.00 0.00 C ATOM 686 C LYS A 46 -0.587 4.102 1.505 1.00 0.00 C ATOM 687 O LYS A 46 -0.632 5.223 0.997 1.00 0.00 O ATOM 688 CB LYS A 46 1.235 4.995 3.042 1.00 0.00 C ATOM 689 CG LYS A 46 0.383 6.179 3.494 1.00 0.00 C ATOM 690 CD LYS A 46 0.776 6.739 4.850 1.00 0.00 C ATOM 691 CE LYS A 46 1.501 8.069 4.735 1.00 0.00 C ATOM 692 NZ LYS A 46 0.853 9.080 5.595 1.00 0.00 N ATOM 0 H LYS A 46 1.716 2.775 1.495 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.282 3.570 3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.929 4.716 3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.836 5.281 2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.456 6.972 2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.662 5.870 3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.118 6.866 5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.415 6.022 5.365 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.545 7.949 5.026 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.496 8.406 3.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.494 9.889 5.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.028 9.404 5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.636 8.660 6.521 1.00 0.00 H new ATOM 706 N ALA A 47 -1.311 3.094 1.030 1.00 0.00 N ATOM 707 CA ALA A 47 -2.117 3.234 -0.175 1.00 0.00 C ATOM 708 C ALA A 47 -3.225 4.279 0.033 1.00 0.00 C ATOM 709 O ALA A 47 -3.853 4.322 1.093 1.00 0.00 O ATOM 710 CB ALA A 47 -2.634 1.865 -0.623 1.00 0.00 C ATOM 0 H ALA A 47 -1.355 2.171 1.462 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.502 3.613 -0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.235 1.980 -1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.790 1.208 -0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.245 1.430 0.168 1.00 0.00 H new ATOM 716 N ARG A 48 -3.448 5.145 -0.961 1.00 0.00 N ATOM 717 CA ARG A 48 -4.374 6.273 -0.871 1.00 0.00 C ATOM 718 C ARG A 48 -5.734 5.853 -1.398 1.00 0.00 C ATOM 719 O ARG A 48 -5.871 5.638 -2.604 1.00 0.00 O ATOM 720 CB ARG A 48 -3.769 7.423 -1.683 1.00 0.00 C ATOM 721 CG ARG A 48 -4.602 8.710 -1.717 1.00 0.00 C ATOM 722 CD ARG A 48 -3.884 9.892 -1.038 1.00 0.00 C ATOM 723 NE ARG A 48 -2.617 10.272 -1.682 1.00 0.00 N ATOM 724 CZ ARG A 48 -2.457 11.039 -2.768 1.00 0.00 C ATOM 725 NH1 ARG A 48 -3.508 11.395 -3.507 1.00 0.00 N ATOM 726 NH2 ARG A 48 -1.234 11.442 -3.092 1.00 0.00 N ATOM 0 H ARG A 48 -2.981 5.078 -1.865 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.519 6.600 0.159 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.786 7.657 -1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.616 7.082 -2.707 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.823 8.969 -2.752 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.557 8.535 -1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.550 10.755 -1.033 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.688 9.635 0.003 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.765 9.911 -1.253 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.444 11.083 -3.247 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.376 11.979 -4.333 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.437 11.167 -2.517 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.091 12.027 -3.915 1.00 0.00 H new ATOM 740 N PHE A 49 -6.738 5.668 -0.544 1.00 0.00 N ATOM 741 CA PHE A 49 -8.040 5.151 -0.971 1.00 0.00 C ATOM 742 C PHE A 49 -9.018 6.322 -1.044 1.00 0.00 C ATOM 743 O PHE A 49 -9.629 6.685 -0.035 1.00 0.00 O ATOM 744 CB PHE A 49 -8.511 4.030 -0.039 1.00 0.00 C ATOM 745 CG PHE A 49 -7.627 2.800 0.002 1.00 0.00 C ATOM 746 CD1 PHE A 49 -6.521 2.820 0.857 1.00 0.00 C ATOM 747 CD2 PHE A 49 -7.917 1.617 -0.716 1.00 0.00 C ATOM 748 CE1 PHE A 49 -5.733 1.680 1.026 1.00 0.00 C ATOM 749 CE2 PHE A 49 -7.167 0.453 -0.496 1.00 0.00 C ATOM 750 CZ PHE A 49 -6.063 0.483 0.367 1.00 0.00 C ATOM 0 H PHE A 49 -6.676 5.869 0.454 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.972 4.700 -1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.592 4.431 0.971 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -9.513 3.726 -0.343 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.274 3.725 1.391 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.720 1.610 -1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.865 1.718 1.667 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.440 -0.467 -0.992 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.471 -0.406 0.524 1.00 0.00 H new ATOM 760 N MET A 50 -9.080 6.948 -2.219 1.00 0.00 N ATOM 761 CA MET A 50 -9.850 8.141 -2.570 1.00 0.00 C ATOM 762 C MET A 50 -11.338 7.798 -2.795 1.00 0.00 C ATOM 763 O MET A 50 -11.828 7.828 -3.919 1.00 0.00 O ATOM 764 CB MET A 50 -9.276 8.816 -3.841 1.00 0.00 C ATOM 765 CG MET A 50 -7.751 8.940 -3.927 1.00 0.00 C ATOM 766 SD MET A 50 -7.029 10.537 -3.462 1.00 0.00 S ATOM 767 CE MET A 50 -7.797 10.683 -1.840 1.00 0.00 C ATOM 0 H MET A 50 -8.547 6.604 -3.018 1.00 0.00 H new ATOM 0 HA MET A 50 -9.773 8.835 -1.733 1.00 0.00 H new ATOM 0 HB2 MET A 50 -9.621 8.255 -4.709 1.00 0.00 H new ATOM 0 HB3 MET A 50 -9.703 9.816 -3.917 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.312 8.171 -3.291 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.450 8.717 -4.951 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.301 11.470 -1.272 1.00 0.00 H new ATOM 0 HE2 MET A 50 -8.852 10.930 -1.958 1.00 0.00 H new ATOM 0 HE3 MET A 50 -7.703 9.737 -1.307 1.00 0.00 H new ATOM 777 N GLY A 51 -12.057 7.411 -1.750 1.00 0.00 N ATOM 778 CA GLY A 51 -13.473 7.060 -1.844 1.00 0.00 C ATOM 779 C GLY A 51 -13.818 5.895 -0.931 1.00 0.00 C ATOM 780 O GLY A 51 -12.925 5.238 -0.385 1.00 0.00 O ATOM 0 H GLY A 51 -11.675 7.330 -0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.082 7.924 -1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.718 6.802 -2.874 1.00 0.00 H new ATOM 784 N TYR A 52 -15.108 5.632 -0.730 1.00 0.00 N ATOM 785 CA TYR A 52 -15.595 4.606 0.161 1.00 0.00 C ATOM 786 C TYR A 52 -15.130 3.224 -0.285 1.00 0.00 C ATOM 787 O TYR A 52 -15.504 2.723 -1.348 1.00 0.00 O ATOM 788 CB TYR A 52 -17.118 4.691 0.286 1.00 0.00 C ATOM 789 CG TYR A 52 -17.552 4.512 1.717 1.00 0.00 C ATOM 790 CD1 TYR A 52 -17.412 3.272 2.363 1.00 0.00 C ATOM 791 CD2 TYR A 52 -18.033 5.624 2.421 1.00 0.00 C ATOM 792 CE1 TYR A 52 -17.748 3.147 3.720 1.00 0.00 C ATOM 793 CE2 TYR A 52 -18.420 5.503 3.758 1.00 0.00 C ATOM 794 CZ TYR A 52 -18.249 4.266 4.425 1.00 0.00 C ATOM 795 OH TYR A 52 -18.520 4.157 5.752 1.00 0.00 O ATOM 0 H TYR A 52 -15.854 6.145 -1.199 1.00 0.00 H new ATOM 0 HA TYR A 52 -15.173 4.774 1.152 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -17.464 5.656 -0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -17.581 3.926 -0.337 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -17.046 2.416 1.816 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -18.105 6.581 1.927 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -17.624 2.200 4.224 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -18.847 6.347 4.279 1.00 0.00 H new ATOM 0 HH TYR A 52 -18.856 5.014 6.089 1.00 0.00 H new ATOM 805 N THR A 53 -14.312 2.610 0.557 1.00 0.00 N ATOM 806 CA THR A 53 -13.989 1.200 0.629 1.00 0.00 C ATOM 807 C THR A 53 -13.596 0.928 2.079 1.00 0.00 C ATOM 808 O THR A 53 -13.279 1.844 2.844 1.00 0.00 O ATOM 809 CB THR A 53 -12.928 0.865 -0.445 1.00 0.00 C ATOM 810 OG1 THR A 53 -13.608 0.820 -1.673 1.00 0.00 O ATOM 811 CG2 THR A 53 -12.172 -0.460 -0.314 1.00 0.00 C ATOM 0 H THR A 53 -13.813 3.139 1.272 1.00 0.00 H new ATOM 0 HA THR A 53 -14.819 0.534 0.392 1.00 0.00 H new ATOM 0 HB THR A 53 -12.163 1.634 -0.338 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.323 1.491 -1.676 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.463 -0.557 -1.136 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.634 -0.480 0.634 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.880 -1.288 -0.346 1.00 0.00 H new ATOM 819 N LYS A 54 -13.692 -0.341 2.463 1.00 0.00 N ATOM 820 CA LYS A 54 -13.127 -0.880 3.690 1.00 0.00 C ATOM 821 C LYS A 54 -12.705 -2.341 3.490 1.00 0.00 C ATOM 822 O LYS A 54 -12.574 -3.081 4.461 1.00 0.00 O ATOM 823 CB LYS A 54 -14.122 -0.707 4.854 1.00 0.00 C ATOM 824 CG LYS A 54 -15.421 -1.531 4.709 1.00 0.00 C ATOM 825 CD LYS A 54 -15.724 -2.303 6.000 1.00 0.00 C ATOM 826 CE LYS A 54 -16.847 -3.321 5.795 1.00 0.00 C ATOM 827 NZ LYS A 54 -17.217 -3.999 7.053 1.00 0.00 N ATOM 0 H LYS A 54 -14.182 -1.043 1.909 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.227 -0.323 3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -13.628 -0.990 5.784 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.383 0.348 4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -16.253 -0.868 4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.323 -2.229 3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -14.824 -2.816 6.338 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -16.006 -1.603 6.786 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -17.722 -2.817 5.384 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.533 -4.064 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -17.981 -4.680 6.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.390 -4.502 7.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -17.541 -3.294 7.745 1.00 0.00 H new ATOM 841 N LEU A 55 -12.596 -2.787 2.234 1.00 0.00 N ATOM 842 CA LEU A 55 -12.611 -4.194 1.848 1.00 0.00 C ATOM 843 C LEU A 55 -11.411 -4.462 0.939 1.00 0.00 C ATOM 844 O LEU A 55 -11.536 -4.847 -0.224 1.00 0.00 O ATOM 845 CB LEU A 55 -13.980 -4.544 1.218 1.00 0.00 C ATOM 846 CG LEU A 55 -14.550 -5.909 1.643 1.00 0.00 C ATOM 847 CD1 LEU A 55 -13.548 -7.063 1.546 1.00 0.00 C ATOM 848 CD2 LEU A 55 -15.123 -5.835 3.066 1.00 0.00 C ATOM 0 H LEU A 55 -12.492 -2.157 1.438 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.506 -4.852 2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.697 -3.767 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.880 -4.528 0.133 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.343 -6.130 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.028 -7.989 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.209 -7.165 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.693 -6.858 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.521 -6.809 3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.334 -5.550 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.921 -5.093 3.099 1.00 0.00 H new ATOM 860 N THR A 56 -10.230 -4.167 1.461 1.00 0.00 N ATOM 861 CA THR A 56 -8.973 -4.392 0.773 1.00 0.00 C ATOM 862 C THR A 56 -8.707 -5.899 0.700 1.00 0.00 C ATOM 863 O THR A 56 -9.008 -6.612 1.660 1.00 0.00 O ATOM 864 CB THR A 56 -7.869 -3.658 1.552 1.00 0.00 C ATOM 865 OG1 THR A 56 -8.251 -2.325 1.824 1.00 0.00 O ATOM 866 CG2 THR A 56 -6.580 -3.601 0.745 1.00 0.00 C ATOM 0 H THR A 56 -10.119 -3.758 2.389 1.00 0.00 H new ATOM 0 HA THR A 56 -9.000 -4.008 -0.247 1.00 0.00 H new ATOM 0 HB THR A 56 -7.714 -4.211 2.479 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.530 -1.717 1.557 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.815 -3.077 1.318 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.241 -4.614 0.529 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.760 -3.071 -0.190 1.00 0.00 H new ATOM 874 N VAL A 57 -8.092 -6.394 -0.378 1.00 0.00 N ATOM 875 CA VAL A 57 -7.639 -7.775 -0.493 1.00 0.00 C ATOM 876 C VAL A 57 -6.232 -7.805 -1.102 1.00 0.00 C ATOM 877 O VAL A 57 -5.809 -6.942 -1.881 1.00 0.00 O ATOM 878 CB VAL A 57 -8.662 -8.624 -1.282 1.00 0.00 C ATOM 879 CG1 VAL A 57 -8.281 -10.116 -1.284 1.00 0.00 C ATOM 880 CG2 VAL A 57 -10.073 -8.557 -0.673 1.00 0.00 C ATOM 0 H VAL A 57 -7.894 -5.833 -1.207 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.573 -8.227 0.497 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.653 -8.206 -2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.024 -10.680 -1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.302 -10.241 -1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.247 -10.484 -0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.754 -9.170 -1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.045 -8.929 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.421 -7.524 -0.674 1.00 0.00 H new ATOM 890 N ILE A 58 -5.481 -8.824 -0.699 1.00 0.00 N ATOM 891 CA ILE A 58 -4.106 -9.129 -1.057 1.00 0.00 C ATOM 892 C ILE A 58 -4.092 -10.659 -1.013 1.00 0.00 C ATOM 893 O ILE A 58 -4.204 -11.197 0.093 1.00 0.00 O ATOM 894 CB ILE A 58 -3.103 -8.515 -0.036 1.00 0.00 C ATOM 895 CG1 ILE A 58 -3.475 -7.091 0.447 1.00 0.00 C ATOM 896 CG2 ILE A 58 -1.702 -8.555 -0.654 1.00 0.00 C ATOM 897 CD1 ILE A 58 -2.564 -6.572 1.562 1.00 0.00 C ATOM 0 H ILE A 58 -5.857 -9.519 -0.054 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.803 -8.720 -2.021 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.140 -9.120 0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.430 -6.405 -0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.506 -7.093 0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.983 -8.129 0.046 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.429 -9.588 -0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.695 -7.977 -1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.880 -5.570 1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.628 -7.237 2.423 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.535 -6.538 1.205 1.00 0.00 H new ATOM 909 N THR A 59 -4.114 -11.351 -2.152 1.00 0.00 N ATOM 910 CA THR A 59 -4.361 -12.789 -2.171 1.00 0.00 C ATOM 911 C THR A 59 -3.223 -13.504 -1.430 1.00 0.00 C ATOM 912 O THR A 59 -3.460 -14.330 -0.548 1.00 0.00 O ATOM 913 CB THR A 59 -4.631 -13.254 -3.611 1.00 0.00 C ATOM 914 OG1 THR A 59 -5.425 -14.414 -3.582 1.00 0.00 O ATOM 915 CG2 THR A 59 -3.398 -13.567 -4.448 1.00 0.00 C ATOM 0 H THR A 59 -3.964 -10.937 -3.072 1.00 0.00 H new ATOM 0 HA THR A 59 -5.267 -13.057 -1.627 1.00 0.00 H new ATOM 0 HB THR A 59 -5.122 -12.405 -4.087 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.601 -14.713 -4.499 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.706 -13.885 -5.444 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.776 -12.675 -4.528 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.828 -14.365 -3.972 1.00 0.00 H new ATOM 923 N GLY A 60 -1.999 -13.063 -1.720 1.00 0.00 N ATOM 924 CA GLY A 60 -0.755 -13.586 -1.177 1.00 0.00 C ATOM 925 C GLY A 60 -0.411 -14.933 -1.795 1.00 0.00 C ATOM 926 O GLY A 60 -1.154 -15.435 -2.632 1.00 0.00 O ATOM 0 H GLY A 60 -1.846 -12.294 -2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.053 -12.879 -1.365 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.842 -13.690 -0.095 1.00 0.00 H new ATOM 930 N LYS A 61 0.712 -15.529 -1.387 1.00 0.00 N ATOM 931 CA LYS A 61 1.146 -16.830 -1.874 1.00 0.00 C ATOM 932 C LYS A 61 0.077 -17.888 -1.628 1.00 0.00 C ATOM 933 O LYS A 61 -0.240 -18.685 -2.508 1.00 0.00 O ATOM 934 CB LYS A 61 2.446 -17.195 -1.153 1.00 0.00 C ATOM 935 CG LYS A 61 3.456 -17.811 -2.109 1.00 0.00 C ATOM 936 CD LYS A 61 4.707 -18.192 -1.319 1.00 0.00 C ATOM 937 CE LYS A 61 5.642 -17.026 -0.999 1.00 0.00 C ATOM 938 NZ LYS A 61 6.931 -17.519 -0.465 1.00 0.00 N ATOM 0 H LYS A 61 1.347 -15.115 -0.704 1.00 0.00 H new ATOM 0 HA LYS A 61 1.313 -16.787 -2.950 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.873 -16.303 -0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.232 -17.896 -0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.031 -18.691 -2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.709 -17.104 -2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.401 -18.661 -0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.263 -18.941 -1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.817 -16.437 -1.899 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.171 -16.365 -0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.360 -16.787 0.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.768 -18.378 0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.572 -17.739 -1.254 1.00 0.00 H new ATOM 952 N ASP A 62 -0.526 -17.825 -0.443 1.00 0.00 N ATOM 953 CA ASP A 62 -1.613 -18.702 -0.022 1.00 0.00 C ATOM 954 C ASP A 62 -2.834 -18.616 -0.933 1.00 0.00 C ATOM 955 O ASP A 62 -3.630 -19.549 -0.976 1.00 0.00 O ATOM 956 CB ASP A 62 -2.054 -18.345 1.405 1.00 0.00 C ATOM 957 CG ASP A 62 -2.513 -19.589 2.158 1.00 0.00 C ATOM 958 OD1 ASP A 62 -1.643 -20.430 2.482 1.00 0.00 O ATOM 959 OD2 ASP A 62 -3.716 -19.710 2.484 1.00 0.00 O ATOM 0 H ASP A 62 -0.264 -17.144 0.269 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.222 -19.718 -0.072 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.228 -17.876 1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.864 -17.617 1.368 1.00 0.00 H new ATOM 964 N GLY A 63 -3.009 -17.494 -1.643 1.00 0.00 N ATOM 965 CA GLY A 63 -4.141 -17.277 -2.526 1.00 0.00 C ATOM 966 C GLY A 63 -5.455 -17.022 -1.776 1.00 0.00 C ATOM 967 O GLY A 63 -6.526 -17.108 -2.388 1.00 0.00 O ATOM 0 H GLY A 63 -2.358 -16.710 -1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.930 -16.427 -3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.262 -18.147 -3.171 1.00 0.00 H new ATOM 971 N LYS A 64 -5.405 -16.765 -0.462 1.00 0.00 N ATOM 972 CA LYS A 64 -6.567 -16.731 0.425 1.00 0.00 C ATOM 973 C LYS A 64 -6.473 -15.597 1.443 1.00 0.00 C ATOM 974 O LYS A 64 -6.754 -15.804 2.625 1.00 0.00 O ATOM 975 CB LYS A 64 -6.761 -18.091 1.116 1.00 0.00 C ATOM 976 CG LYS A 64 -6.928 -19.239 0.117 1.00 0.00 C ATOM 977 CD LYS A 64 -7.314 -20.524 0.845 1.00 0.00 C ATOM 978 CE LYS A 64 -6.897 -21.733 0.008 1.00 0.00 C ATOM 979 NZ LYS A 64 -6.875 -22.958 0.826 1.00 0.00 N ATOM 0 H LYS A 64 -4.529 -16.570 0.023 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.446 -16.532 -0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.904 -18.294 1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.638 -18.045 1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.694 -18.984 -0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.999 -19.390 -0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.830 -20.560 1.821 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.389 -20.545 1.022 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.589 -21.860 -0.825 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.910 -21.560 -0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.589 -23.765 0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.197 -22.842 1.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.824 -23.133 1.215 1.00 0.00 H new ATOM 993 N ASN A 65 -6.179 -14.383 0.969 1.00 0.00 N ATOM 994 CA ASN A 65 -6.450 -13.130 1.681 1.00 0.00 C ATOM 995 C ASN A 65 -5.586 -13.028 2.938 1.00 0.00 C ATOM 996 O ASN A 65 -6.046 -13.293 4.044 1.00 0.00 O ATOM 997 CB ASN A 65 -7.961 -13.038 2.008 1.00 0.00 C ATOM 998 CG ASN A 65 -8.638 -11.683 2.048 1.00 0.00 C ATOM 999 OD1 ASN A 65 -9.821 -11.630 1.731 1.00 0.00 O ATOM 1000 ND2 ASN A 65 -7.992 -10.601 2.440 1.00 0.00 N ATOM 0 H ASN A 65 -5.737 -14.240 0.061 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.188 -12.284 1.045 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.491 -13.645 1.274 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.113 -13.507 2.980 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.477 -9.705 2.482 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.008 -10.661 2.701 1.00 0.00 H new ATOM 1007 N LEU A 66 -4.336 -12.582 2.796 1.00 0.00 N ATOM 1008 CA LEU A 66 -3.410 -12.428 3.925 1.00 0.00 C ATOM 1009 C LEU A 66 -4.005 -11.626 5.091 1.00 0.00 C ATOM 1010 O LEU A 66 -3.728 -11.944 6.248 1.00 0.00 O ATOM 1011 CB LEU A 66 -2.095 -11.773 3.473 1.00 0.00 C ATOM 1012 CG LEU A 66 -1.377 -12.495 2.321 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -0.017 -11.826 2.097 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -1.180 -13.989 2.599 1.00 0.00 C ATOM 0 H LEU A 66 -3.935 -12.317 1.896 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.215 -13.437 4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.303 -10.748 3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.420 -11.720 4.327 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.001 -12.417 1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.505 -12.327 1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.165 -10.777 1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.578 -11.897 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.669 -14.452 1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.580 -14.115 3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.151 -14.464 2.740 1.00 0.00 H new ATOM 1026 N LEU A 67 -4.828 -10.615 4.785 1.00 0.00 N ATOM 1027 CA LEU A 67 -5.534 -9.762 5.737 1.00 0.00 C ATOM 1028 C LEU A 67 -6.609 -10.505 6.535 1.00 0.00 C ATOM 1029 O LEU A 67 -7.160 -9.906 7.459 1.00 0.00 O ATOM 1030 CB LEU A 67 -6.195 -8.571 5.006 1.00 0.00 C ATOM 1031 CG LEU A 67 -5.233 -7.512 4.439 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -5.974 -6.595 3.457 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -4.621 -6.646 5.540 1.00 0.00 C ATOM 0 H LEU A 67 -5.026 -10.361 3.817 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.779 -9.413 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.798 -8.962 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.879 -8.079 5.698 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.433 -8.050 3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.283 -5.850 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.374 -7.189 2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.792 -6.093 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.949 -5.913 5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.415 -6.130 6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.063 -7.277 6.231 1.00 0.00 H new ATOM 1045 N TYR A 68 -6.953 -11.749 6.188 1.00 0.00 N ATOM 1046 CA TYR A 68 -7.800 -12.625 6.989 1.00 0.00 C ATOM 1047 C TYR A 68 -7.068 -13.911 7.399 1.00 0.00 C ATOM 1048 O TYR A 68 -7.641 -14.754 8.094 1.00 0.00 O ATOM 1049 CB TYR A 68 -9.115 -12.900 6.239 1.00 0.00 C ATOM 1050 CG TYR A 68 -10.168 -13.640 7.052 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -10.513 -13.190 8.343 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -10.764 -14.813 6.549 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -11.426 -13.902 9.135 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -11.686 -15.531 7.332 1.00 0.00 C ATOM 1055 CZ TYR A 68 -12.015 -15.081 8.629 1.00 0.00 C ATOM 1056 OH TYR A 68 -12.923 -15.765 9.374 1.00 0.00 O ATOM 0 H TYR A 68 -6.640 -12.182 5.319 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.046 -12.121 7.923 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.533 -11.950 5.907 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -8.892 -13.481 5.344 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.068 -12.284 8.728 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.512 -15.162 5.559 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -11.677 -13.551 10.125 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -12.143 -16.428 6.940 1.00 0.00 H new ATOM 0 HH TYR A 68 -13.229 -16.551 8.876 1.00 0.00 H new ATOM 1066 N ASN A 69 -5.806 -14.093 6.991 1.00 0.00 N ATOM 1067 CA ASN A 69 -4.967 -15.170 7.512 1.00 0.00 C ATOM 1068 C ASN A 69 -4.467 -14.767 8.888 1.00 0.00 C ATOM 1069 O ASN A 69 -4.704 -15.495 9.852 1.00 0.00 O ATOM 1070 CB ASN A 69 -3.810 -15.528 6.571 1.00 0.00 C ATOM 1071 CG ASN A 69 -4.246 -16.033 5.203 1.00 0.00 C ATOM 1072 OD1 ASN A 69 -3.485 -15.917 4.246 1.00 0.00 O ATOM 1073 ND2 ASN A 69 -5.415 -16.647 5.060 1.00 0.00 N ATOM 0 H ASN A 69 -5.345 -13.503 6.298 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.568 -16.076 7.587 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.181 -14.648 6.437 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.193 -16.290 7.047 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.685 -17.025 4.152 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.043 -16.740 5.858 1.00 0.00 H new ATOM 1080 N GLY A 70 -3.837 -13.595 8.978 1.00 0.00 N ATOM 1081 CA GLY A 70 -3.425 -12.998 10.238 1.00 0.00 C ATOM 1082 C GLY A 70 -2.113 -12.231 10.130 1.00 0.00 C ATOM 1083 O GLY A 70 -1.865 -11.377 10.983 1.00 0.00 O ATOM 0 H GLY A 70 -3.598 -13.030 8.163 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.207 -12.323 10.587 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.321 -13.781 10.989 1.00 0.00 H new ATOM 1087 N THR A 71 -1.285 -12.510 9.116 1.00 0.00 N ATOM 1088 CA THR A 71 0.026 -11.885 8.977 1.00 0.00 C ATOM 1089 C THR A 71 -0.152 -10.400 8.686 1.00 0.00 C ATOM 1090 O THR A 71 0.393 -9.562 9.400 1.00 0.00 O ATOM 1091 CB THR A 71 0.865 -12.559 7.871 1.00 0.00 C ATOM 1092 OG1 THR A 71 0.540 -13.928 7.738 1.00 0.00 O ATOM 1093 CG2 THR A 71 2.364 -12.431 8.168 1.00 0.00 C ATOM 0 H THR A 71 -1.508 -13.173 8.374 1.00 0.00 H new ATOM 0 HA THR A 71 0.570 -12.011 9.913 1.00 0.00 H new ATOM 0 HB THR A 71 0.632 -12.046 6.938 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.087 -14.327 7.029 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.935 -12.914 7.375 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.636 -11.377 8.221 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.589 -12.912 9.120 1.00 0.00 H new ATOM 1101 N ALA A 72 -0.905 -10.076 7.628 1.00 0.00 N ATOM 1102 CA ALA A 72 -1.264 -8.711 7.330 1.00 0.00 C ATOM 1103 C ALA A 72 -2.481 -8.351 8.162 1.00 0.00 C ATOM 1104 O ALA A 72 -3.397 -9.154 8.332 1.00 0.00 O ATOM 1105 CB ALA A 72 -1.555 -8.574 5.831 1.00 0.00 C ATOM 0 H ALA A 72 -1.274 -10.759 6.966 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.448 -8.031 7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.826 -7.543 5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.667 -8.848 5.261 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.379 -9.234 5.559 1.00 0.00 H new ATOM 1111 N LYS A 73 -2.535 -7.098 8.589 1.00 0.00 N ATOM 1112 CA LYS A 73 -3.728 -6.451 9.105 1.00 0.00 C ATOM 1113 C LYS A 73 -3.643 -4.991 8.707 1.00 0.00 C ATOM 1114 O LYS A 73 -2.534 -4.474 8.522 1.00 0.00 O ATOM 1115 CB LYS A 73 -3.842 -6.615 10.635 1.00 0.00 C ATOM 1116 CG LYS A 73 -2.552 -6.502 11.478 1.00 0.00 C ATOM 1117 CD LYS A 73 -1.833 -7.854 11.668 1.00 0.00 C ATOM 1118 CE LYS A 73 -0.664 -7.823 12.664 1.00 0.00 C ATOM 1119 NZ LYS A 73 -1.104 -7.682 14.071 1.00 0.00 N ATOM 0 H LYS A 73 -1.720 -6.484 8.585 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.625 -6.910 8.688 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.545 -5.866 10.999 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.285 -7.591 10.833 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.871 -5.800 10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.799 -6.088 12.456 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.560 -8.593 12.005 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.460 -8.191 10.701 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.083 -8.739 12.561 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.001 -6.995 12.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.272 -7.667 14.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.635 -6.795 14.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.714 -8.485 14.326 1.00 0.00 H new ATOM 1133 N MET A 74 -4.779 -4.296 8.591 1.00 0.00 N ATOM 1134 CA MET A 74 -4.761 -2.867 8.809 1.00 0.00 C ATOM 1135 C MET A 74 -4.728 -2.625 10.312 1.00 0.00 C ATOM 1136 O MET A 74 -5.425 -3.314 11.063 1.00 0.00 O ATOM 1137 CB MET A 74 -5.944 -2.196 8.118 1.00 0.00 C ATOM 1138 CG MET A 74 -7.287 -2.340 8.848 1.00 0.00 C ATOM 1139 SD MET A 74 -8.761 -1.670 8.027 1.00 0.00 S ATOM 1140 CE MET A 74 -7.983 -0.456 6.947 1.00 0.00 C ATOM 0 H MET A 74 -5.689 -4.693 8.355 1.00 0.00 H new ATOM 0 HA MET A 74 -3.874 -2.416 8.365 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.723 -1.135 8.000 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.045 -2.613 7.116 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.458 -3.401 9.033 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.195 -1.857 9.821 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.752 0.140 6.456 1.00 0.00 H new ATOM 0 HE2 MET A 74 -7.340 0.197 7.537 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.385 -0.969 6.194 1.00 0.00 H new ATOM 1150 N PHE A 75 -3.941 -1.645 10.736 1.00 0.00 N ATOM 1151 CA PHE A 75 -3.710 -1.327 12.143 1.00 0.00 C ATOM 1152 C PHE A 75 -3.727 0.191 12.387 1.00 0.00 C ATOM 1153 O PHE A 75 -3.538 0.641 13.518 1.00 0.00 O ATOM 1154 CB PHE A 75 -2.375 -1.961 12.562 1.00 0.00 C ATOM 1155 CG PHE A 75 -1.188 -1.354 11.840 1.00 0.00 C ATOM 1156 CD1 PHE A 75 -0.860 -1.756 10.528 1.00 0.00 C ATOM 1157 CD2 PHE A 75 -0.465 -0.315 12.449 1.00 0.00 C ATOM 1158 CE1 PHE A 75 0.158 -1.091 9.821 1.00 0.00 C ATOM 1159 CE2 PHE A 75 0.547 0.343 11.735 1.00 0.00 C ATOM 1160 CZ PHE A 75 0.847 -0.031 10.418 1.00 0.00 C ATOM 0 H PHE A 75 -3.432 -1.033 10.098 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.514 -1.737 12.754 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.242 -1.841 13.637 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.408 -3.032 12.363 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.391 -2.575 10.066 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.688 -0.024 13.465 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.408 -1.399 8.816 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.099 1.144 12.204 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.609 0.499 9.865 1.00 0.00 H new ATOM 1170 N LYS A 76 -3.930 0.997 11.338 1.00 0.00 N ATOM 1171 CA LYS A 76 -3.942 2.454 11.398 1.00 0.00 C ATOM 1172 C LYS A 76 -4.746 2.941 10.189 1.00 0.00 C ATOM 1173 O LYS A 76 -4.844 2.215 9.192 1.00 0.00 O ATOM 1174 CB LYS A 76 -2.476 2.944 11.451 1.00 0.00 C ATOM 1175 CG LYS A 76 -2.333 4.465 11.555 1.00 0.00 C ATOM 1176 CD LYS A 76 -0.911 4.902 11.954 1.00 0.00 C ATOM 1177 CE LYS A 76 -0.372 5.967 10.994 1.00 0.00 C ATOM 1178 NZ LYS A 76 0.691 6.793 11.597 1.00 0.00 N ATOM 0 H LYS A 76 -4.095 0.637 10.398 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.423 2.861 12.287 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.980 2.483 12.305 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.956 2.600 10.557 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.592 4.917 10.597 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.044 4.843 12.289 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.920 5.295 12.971 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.247 4.037 11.952 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.016 5.480 10.099 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.191 6.612 10.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.019 7.496 10.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.318 7.281 12.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.487 6.185 11.876 1.00 0.00 H new ATOM 1192 N SER A 77 -5.353 4.118 10.278 1.00 0.00 N ATOM 1193 CA SER A 77 -6.303 4.637 9.307 1.00 0.00 C ATOM 1194 C SER A 77 -6.367 6.158 9.475 1.00 0.00 C ATOM 1195 O SER A 77 -7.097 6.623 10.353 1.00 0.00 O ATOM 1196 CB SER A 77 -7.672 3.961 9.518 1.00 0.00 C ATOM 1197 OG SER A 77 -8.020 3.853 10.893 1.00 0.00 O ATOM 0 H SER A 77 -5.191 4.758 11.056 1.00 0.00 H new ATOM 0 HA SER A 77 -5.994 4.416 8.285 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.440 4.532 8.996 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.655 2.967 9.072 1.00 0.00 H new ATOM 0 HG SER A 77 -7.872 4.714 11.337 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.607 6.928 8.691 1.00 0.00 N ATOM 1204 CA ASP A 78 -5.638 8.400 8.769 1.00 0.00 C ATOM 1205 C ASP A 78 -6.614 8.953 7.718 1.00 0.00 C ATOM 1206 O ASP A 78 -7.097 8.190 6.878 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.232 8.998 8.653 1.00 0.00 C ATOM 1208 CG ASP A 78 -4.098 10.266 9.488 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -4.713 11.293 9.136 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -3.351 10.235 10.489 1.00 0.00 O ATOM 0 H ASP A 78 -4.961 6.560 7.993 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.005 8.700 9.751 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.495 8.265 8.980 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.015 9.223 7.609 1.00 0.00 H new ATOM 1215 N ALA A 79 -6.939 10.248 7.748 1.00 0.00 N ATOM 1216 CA ALA A 79 -8.104 10.822 7.082 1.00 0.00 C ATOM 1217 C ALA A 79 -7.687 11.938 6.115 1.00 0.00 C ATOM 1218 O ALA A 79 -7.393 13.057 6.533 1.00 0.00 O ATOM 1219 CB ALA A 79 -9.098 11.278 8.158 1.00 0.00 C ATOM 0 H ALA A 79 -6.383 10.941 8.249 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.602 10.078 6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.977 11.711 7.681 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.397 10.422 8.763 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.626 12.026 8.796 1.00 0.00 H new ATOM 1225 N ILE A 80 -7.711 11.666 4.806 1.00 0.00 N ATOM 1226 CA ILE A 80 -7.288 12.600 3.763 1.00 0.00 C ATOM 1227 C ILE A 80 -8.431 13.575 3.536 1.00 0.00 C ATOM 1228 O ILE A 80 -9.454 13.229 2.937 1.00 0.00 O ATOM 1229 CB ILE A 80 -6.918 11.900 2.439 1.00 0.00 C ATOM 1230 CG1 ILE A 80 -5.923 10.748 2.649 1.00 0.00 C ATOM 1231 CG2 ILE A 80 -6.316 12.919 1.452 1.00 0.00 C ATOM 1232 CD1 ILE A 80 -6.075 9.702 1.537 1.00 0.00 C ATOM 0 H ILE A 80 -8.032 10.771 4.437 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.383 13.109 4.095 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.837 11.479 2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.904 11.135 2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.094 10.283 3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.058 12.415 0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.045 13.704 1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.419 13.360 1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.364 8.892 1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.089 9.302 1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.881 10.167 0.571 1.00 0.00 H new ATOM 1244 N LEU A 81 -8.273 14.772 4.076 1.00 0.00 N ATOM 1245 CA LEU A 81 -9.095 15.908 3.686 1.00 0.00 C ATOM 1246 C LEU A 81 -8.610 16.440 2.330 1.00 0.00 C ATOM 1247 O LEU A 81 -7.422 16.372 2.002 1.00 0.00 O ATOM 1248 CB LEU A 81 -9.110 17.014 4.758 1.00 0.00 C ATOM 1249 CG LEU A 81 -9.645 16.571 6.131 1.00 0.00 C ATOM 1250 CD1 LEU A 81 -9.469 17.712 7.135 1.00 0.00 C ATOM 1251 CD2 LEU A 81 -11.127 16.190 6.082 1.00 0.00 C ATOM 0 H LEU A 81 -7.578 14.984 4.791 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.127 15.571 3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.096 17.393 4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.718 17.843 4.397 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.078 15.690 6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.847 17.401 8.109 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.412 17.962 7.219 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.023 18.586 6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.457 15.885 7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.713 17.048 5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.268 15.365 5.383 1.00 0.00 H new ATOM 1263 N GLY A 82 -9.527 16.996 1.540 1.00 0.00 N ATOM 1264 CA GLY A 82 -9.295 17.509 0.197 1.00 0.00 C ATOM 1265 C GLY A 82 -9.483 19.015 0.176 1.00 0.00 C ATOM 1266 O GLY A 82 -10.358 19.516 -0.533 1.00 0.00 O ATOM 0 H GLY A 82 -10.497 17.105 1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.286 17.256 -0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.984 17.039 -0.505 1.00 0.00 H new ATOM 1270 N GLN A 83 -8.701 19.724 0.997 1.00 0.00 N ATOM 1271 CA GLN A 83 -8.682 21.174 1.177 1.00 0.00 C ATOM 1272 C GLN A 83 -9.934 21.673 1.899 1.00 0.00 C ATOM 1273 O GLN A 83 -9.856 22.239 2.987 1.00 0.00 O ATOM 1274 CB GLN A 83 -8.474 21.887 -0.175 1.00 0.00 C ATOM 1275 CG GLN A 83 -7.983 23.327 -0.004 1.00 0.00 C ATOM 1276 CD GLN A 83 -6.511 23.338 0.378 1.00 0.00 C ATOM 1277 OE1 GLN A 83 -6.161 23.330 1.553 1.00 0.00 O ATOM 1278 NE2 GLN A 83 -5.631 23.273 -0.603 1.00 0.00 N ATOM 0 H GLN A 83 -8.016 19.263 1.595 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.835 21.421 1.818 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.752 21.328 -0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -9.412 21.889 -0.730 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.130 23.881 -0.931 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.570 23.830 0.765 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.947 23.281 -1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -4.635 23.214 -0.392 1.00 0.00 H new ATOM 1287 N ASN A 84 -11.099 21.461 1.287 1.00 0.00 N ATOM 1288 CA ASN A 84 -12.406 21.986 1.666 1.00 0.00 C ATOM 1289 C ASN A 84 -13.012 21.191 2.825 1.00 0.00 C ATOM 1290 O ASN A 84 -14.224 20.983 2.853 1.00 0.00 O ATOM 1291 CB ASN A 84 -13.342 21.975 0.439 1.00 0.00 C ATOM 1292 CG ASN A 84 -12.845 22.880 -0.666 1.00 0.00 C ATOM 1293 OD1 ASN A 84 -13.153 24.066 -0.664 1.00 0.00 O ATOM 1294 ND2 ASN A 84 -12.043 22.375 -1.587 1.00 0.00 N ATOM 0 H ASN A 84 -11.155 20.875 0.454 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.283 23.013 2.011 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -13.430 20.957 0.060 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.340 22.290 0.743 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.665 22.976 -2.319 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.802 21.384 -1.566 1.00 0.00 H new ATOM 1301 N LYS A 85 -12.188 20.656 3.738 1.00 0.00 N ATOM 1302 CA LYS A 85 -12.595 19.726 4.803 1.00 0.00 C ATOM 1303 C LYS A 85 -13.350 18.498 4.266 1.00 0.00 C ATOM 1304 O LYS A 85 -14.021 17.803 5.020 1.00 0.00 O ATOM 1305 CB LYS A 85 -13.443 20.456 5.861 1.00 0.00 C ATOM 1306 CG LYS A 85 -12.822 21.757 6.402 1.00 0.00 C ATOM 1307 CD LYS A 85 -13.860 22.549 7.208 1.00 0.00 C ATOM 1308 CE LYS A 85 -14.929 23.216 6.317 1.00 0.00 C ATOM 1309 NZ LYS A 85 -14.436 24.437 5.644 1.00 0.00 N ATOM 0 H LYS A 85 -11.190 20.865 3.757 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.679 19.357 5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -14.417 20.687 5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -13.618 19.778 6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.964 21.523 7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.454 22.364 5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.350 21.881 7.916 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.351 23.316 7.792 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -15.264 22.502 5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -15.797 23.468 6.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -15.195 24.842 5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -14.141 25.132 6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -13.625 24.197 5.039 1.00 0.00 H new ATOM 1323 N VAL A 86 -13.272 18.235 2.966 1.00 0.00 N ATOM 1324 CA VAL A 86 -13.931 17.121 2.312 1.00 0.00 C ATOM 1325 C VAL A 86 -13.089 15.880 2.563 1.00 0.00 C ATOM 1326 O VAL A 86 -11.929 15.859 2.166 1.00 0.00 O ATOM 1327 CB VAL A 86 -14.265 17.406 0.843 1.00 0.00 C ATOM 1328 CG1 VAL A 86 -13.102 18.060 0.138 1.00 0.00 C ATOM 1329 CG2 VAL A 86 -14.688 16.140 0.099 1.00 0.00 C ATOM 0 H VAL A 86 -12.730 18.812 2.322 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.919 16.949 2.740 1.00 0.00 H new ATOM 0 HB VAL A 86 -15.109 18.095 0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -13.367 18.250 -0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -12.862 19.003 0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -12.235 17.400 0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.916 16.386 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -13.877 15.412 0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -15.573 15.717 0.574 1.00 0.00 H new ATOM 1339 N VAL A 87 -13.627 14.855 3.209 1.00 0.00 N ATOM 1340 CA VAL A 87 -12.987 13.548 3.286 1.00 0.00 C ATOM 1341 C VAL A 87 -12.976 12.922 1.889 1.00 0.00 C ATOM 1342 O VAL A 87 -13.915 12.231 1.486 1.00 0.00 O ATOM 1343 CB VAL A 87 -13.628 12.713 4.408 1.00 0.00 C ATOM 1344 CG1 VAL A 87 -15.161 12.762 4.449 1.00 0.00 C ATOM 1345 CG2 VAL A 87 -13.126 11.269 4.445 1.00 0.00 C ATOM 0 H VAL A 87 -14.522 14.906 3.696 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.939 13.616 3.578 1.00 0.00 H new ATOM 0 HB VAL A 87 -13.287 13.208 5.317 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -15.523 12.144 5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -15.488 13.791 4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -15.562 12.385 3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -13.616 10.734 5.258 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.355 10.780 3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -12.048 11.263 4.605 1.00 0.00 H new ATOM 1355 N ILE A 88 -11.921 13.187 1.117 1.00 0.00 N ATOM 1356 CA ILE A 88 -11.742 12.595 -0.205 1.00 0.00 C ATOM 1357 C ILE A 88 -11.288 11.144 -0.100 1.00 0.00 C ATOM 1358 O ILE A 88 -11.494 10.386 -1.044 1.00 0.00 O ATOM 1359 CB ILE A 88 -10.782 13.423 -1.082 1.00 0.00 C ATOM 1360 CG1 ILE A 88 -9.378 13.614 -0.469 1.00 0.00 C ATOM 1361 CG2 ILE A 88 -11.441 14.776 -1.371 1.00 0.00 C ATOM 1362 CD1 ILE A 88 -8.370 14.174 -1.481 1.00 0.00 C ATOM 0 H ILE A 88 -11.168 13.818 1.392 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.714 12.606 -0.699 1.00 0.00 H new ATOM 0 HB ILE A 88 -10.612 12.866 -2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -9.446 14.289 0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -9.016 12.658 -0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -10.778 15.379 -1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.383 14.617 -1.895 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -11.632 15.296 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.398 14.290 -1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -8.279 13.487 -2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.715 15.144 -1.840 1.00 0.00 H new ATOM 1374 N GLY A 89 -10.708 10.731 1.027 1.00 0.00 N ATOM 1375 CA GLY A 89 -10.235 9.372 1.202 1.00 0.00 C ATOM 1376 C GLY A 89 -9.594 9.170 2.563 1.00 0.00 C ATOM 1377 O GLY A 89 -9.633 10.061 3.411 1.00 0.00 O ATOM 0 H GLY A 89 -10.557 11.332 1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.068 8.679 1.086 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.513 9.135 0.421 1.00 0.00 H new ATOM 1381 N TRP A 90 -8.968 8.011 2.760 1.00 0.00 N ATOM 1382 CA TRP A 90 -8.233 7.692 3.973 1.00 0.00 C ATOM 1383 C TRP A 90 -6.944 6.976 3.584 1.00 0.00 C ATOM 1384 O TRP A 90 -6.892 6.285 2.557 1.00 0.00 O ATOM 1385 CB TRP A 90 -9.116 6.815 4.873 1.00 0.00 C ATOM 1386 CG TRP A 90 -10.446 7.401 5.237 1.00 0.00 C ATOM 1387 CD1 TRP A 90 -10.707 8.192 6.298 1.00 0.00 C ATOM 1388 CD2 TRP A 90 -11.697 7.307 4.499 1.00 0.00 C ATOM 1389 NE1 TRP A 90 -12.035 8.577 6.273 1.00 0.00 N ATOM 1390 CE2 TRP A 90 -12.704 8.036 5.190 1.00 0.00 C ATOM 1391 CE3 TRP A 90 -12.063 6.703 3.281 1.00 0.00 C ATOM 1392 CZ2 TRP A 90 -14.024 8.116 4.710 1.00 0.00 C ATOM 1393 CZ3 TRP A 90 -13.379 6.777 2.790 1.00 0.00 C ATOM 1394 CH2 TRP A 90 -14.368 7.470 3.506 1.00 0.00 C ATOM 0 H TRP A 90 -8.960 7.260 2.070 1.00 0.00 H new ATOM 0 HA TRP A 90 -7.974 8.595 4.527 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.283 5.862 4.371 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -8.569 6.600 5.791 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -9.989 8.480 7.051 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -12.468 9.185 6.968 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -11.316 6.171 2.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -14.770 8.670 5.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -13.630 6.297 1.856 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -15.383 7.508 3.138 1.00 0.00 H new ATOM 1405 N ASP A 91 -5.917 7.167 4.405 1.00 0.00 N ATOM 1406 CA ASP A 91 -4.680 6.408 4.346 1.00 0.00 C ATOM 1407 C ASP A 91 -4.989 5.125 5.108 1.00 0.00 C ATOM 1408 O ASP A 91 -4.938 5.110 6.341 1.00 0.00 O ATOM 1409 CB ASP A 91 -3.523 7.149 5.042 1.00 0.00 C ATOM 1410 CG ASP A 91 -2.784 8.169 4.174 1.00 0.00 C ATOM 1411 OD1 ASP A 91 -3.158 8.399 3.006 1.00 0.00 O ATOM 1412 OD2 ASP A 91 -1.756 8.713 4.649 1.00 0.00 O ATOM 0 H ASP A 91 -5.925 7.869 5.145 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.365 6.240 3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.917 7.661 5.920 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.804 6.412 5.399 1.00 0.00 H new ATOM 1417 N LYS A 92 -5.421 4.063 4.427 1.00 0.00 N ATOM 1418 CA LYS A 92 -5.511 2.752 5.071 1.00 0.00 C ATOM 1419 C LYS A 92 -4.093 2.172 5.102 1.00 0.00 C ATOM 1420 O LYS A 92 -3.506 1.932 4.046 1.00 0.00 O ATOM 1421 CB LYS A 92 -6.505 1.801 4.384 1.00 0.00 C ATOM 1422 CG LYS A 92 -7.874 2.377 3.968 1.00 0.00 C ATOM 1423 CD LYS A 92 -8.683 2.958 5.128 1.00 0.00 C ATOM 1424 CE LYS A 92 -10.153 3.196 4.726 1.00 0.00 C ATOM 1425 NZ LYS A 92 -11.040 3.449 5.888 1.00 0.00 N ATOM 0 H LYS A 92 -5.709 4.082 3.449 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.907 2.870 6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.024 1.400 3.492 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.684 0.961 5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.717 3.156 3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.457 1.590 3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.643 2.277 5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.236 3.898 5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -10.204 4.046 4.045 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.519 2.327 4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -12.013 3.601 5.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -11.017 2.629 6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.712 4.294 6.397 1.00 0.00 H new ATOM 1439 N TYR A 93 -3.520 2.002 6.291 1.00 0.00 N ATOM 1440 CA TYR A 93 -2.180 1.450 6.470 1.00 0.00 C ATOM 1441 C TYR A 93 -2.289 -0.067 6.571 1.00 0.00 C ATOM 1442 O TYR A 93 -3.270 -0.567 7.125 1.00 0.00 O ATOM 1443 CB TYR A 93 -1.567 1.997 7.766 1.00 0.00 C ATOM 1444 CG TYR A 93 -1.306 3.493 7.781 1.00 0.00 C ATOM 1445 CD1 TYR A 93 -2.367 4.401 7.939 1.00 0.00 C ATOM 1446 CD2 TYR A 93 0.003 3.989 7.644 1.00 0.00 C ATOM 1447 CE1 TYR A 93 -2.130 5.784 7.948 1.00 0.00 C ATOM 1448 CE2 TYR A 93 0.248 5.371 7.683 1.00 0.00 C ATOM 1449 CZ TYR A 93 -0.818 6.285 7.834 1.00 0.00 C ATOM 1450 OH TYR A 93 -0.571 7.627 7.843 1.00 0.00 O ATOM 0 H TYR A 93 -3.979 2.247 7.168 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.549 1.729 5.626 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.232 1.753 8.594 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.626 1.479 7.950 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.375 4.031 8.055 1.00 0.00 H new ATOM 0 HD2 TYR A 93 0.825 3.302 7.508 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.959 6.469 8.043 1.00 0.00 H new ATOM 0 HE2 TYR A 93 1.260 5.738 7.597 1.00 0.00 H new ATOM 0 HH TYR A 93 0.137 7.825 8.492 1.00 0.00 H new ATOM 1460 N PHE A 94 -1.259 -0.803 6.138 1.00 0.00 N ATOM 1461 CA PHE A 94 -1.207 -2.262 6.220 1.00 0.00 C ATOM 1462 C PHE A 94 0.171 -2.733 6.656 1.00 0.00 C ATOM 1463 O PHE A 94 1.164 -2.059 6.368 1.00 0.00 O ATOM 1464 CB PHE A 94 -1.532 -2.885 4.861 1.00 0.00 C ATOM 1465 CG PHE A 94 -2.869 -2.455 4.311 1.00 0.00 C ATOM 1466 CD1 PHE A 94 -4.069 -2.994 4.813 1.00 0.00 C ATOM 1467 CD2 PHE A 94 -2.903 -1.433 3.353 1.00 0.00 C ATOM 1468 CE1 PHE A 94 -5.304 -2.517 4.341 1.00 0.00 C ATOM 1469 CE2 PHE A 94 -4.133 -0.946 2.905 1.00 0.00 C ATOM 1470 CZ PHE A 94 -5.337 -1.480 3.394 1.00 0.00 C ATOM 0 H PHE A 94 -0.427 -0.393 5.715 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.945 -2.577 6.957 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.751 -2.616 4.150 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.518 -3.971 4.954 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.041 -3.773 5.560 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -1.983 -1.024 2.963 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.225 -2.947 4.706 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -4.159 -0.151 2.175 1.00 0.00 H new ATOM 0 HZ PHE A 94 -6.283 -1.095 3.044 1.00 0.00 H new ATOM 1480 N GLU A 95 0.211 -3.896 7.306 1.00 0.00 N ATOM 1481 CA GLU A 95 1.401 -4.524 7.877 1.00 0.00 C ATOM 1482 C GLU A 95 1.664 -5.860 7.180 1.00 0.00 C ATOM 1483 O GLU A 95 1.502 -6.914 7.784 1.00 0.00 O ATOM 1484 CB GLU A 95 1.124 -4.693 9.381 1.00 0.00 C ATOM 1485 CG GLU A 95 2.340 -5.125 10.208 1.00 0.00 C ATOM 1486 CD GLU A 95 2.212 -4.589 11.633 1.00 0.00 C ATOM 1487 OE1 GLU A 95 1.274 -4.977 12.362 1.00 0.00 O ATOM 1488 OE2 GLU A 95 3.024 -3.711 12.010 1.00 0.00 O ATOM 0 H GLU A 95 -0.630 -4.454 7.456 1.00 0.00 H new ATOM 0 HA GLU A 95 2.297 -3.921 7.734 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.749 -3.749 9.776 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.332 -5.431 9.511 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.413 -6.212 10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.255 -4.750 9.749 1.00 0.00 H new ATOM 1495 N ILE A 96 1.966 -5.853 5.883 1.00 0.00 N ATOM 1496 CA ILE A 96 2.032 -7.103 5.122 1.00 0.00 C ATOM 1497 C ILE A 96 3.413 -7.750 5.352 1.00 0.00 C ATOM 1498 O ILE A 96 4.386 -7.009 5.514 1.00 0.00 O ATOM 1499 CB ILE A 96 1.747 -6.835 3.625 1.00 0.00 C ATOM 1500 CG1 ILE A 96 0.596 -5.830 3.378 1.00 0.00 C ATOM 1501 CG2 ILE A 96 1.371 -8.130 2.880 1.00 0.00 C ATOM 1502 CD1 ILE A 96 1.083 -4.417 3.042 1.00 0.00 C ATOM 0 H ILE A 96 2.166 -5.011 5.342 1.00 0.00 H new ATOM 0 HA ILE A 96 1.267 -7.800 5.465 1.00 0.00 H new ATOM 0 HB ILE A 96 2.679 -6.412 3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.026 -6.195 2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.036 -5.787 4.265 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.178 -7.904 1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.193 -8.843 2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.476 -8.561 3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.225 -3.765 2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.681 -4.032 3.868 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.690 -4.447 2.137 1.00 0.00 H new ATOM 1514 N PRO A 97 3.557 -9.088 5.311 1.00 0.00 N ATOM 1515 CA PRO A 97 4.864 -9.720 5.173 1.00 0.00 C ATOM 1516 C PRO A 97 5.478 -9.412 3.797 1.00 0.00 C ATOM 1517 O PRO A 97 4.794 -8.934 2.882 1.00 0.00 O ATOM 1518 CB PRO A 97 4.613 -11.220 5.335 1.00 0.00 C ATOM 1519 CG PRO A 97 3.171 -11.383 4.876 1.00 0.00 C ATOM 1520 CD PRO A 97 2.515 -10.102 5.366 1.00 0.00 C ATOM 0 HA PRO A 97 5.571 -9.349 5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.298 -11.811 4.727 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.745 -11.541 6.368 1.00 0.00 H new ATOM 0 HG2 PRO A 97 3.100 -11.485 3.793 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.706 -12.268 5.311 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.668 -9.829 4.737 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.134 -10.219 6.381 1.00 0.00 H new ATOM 1528 N MET A 98 6.753 -9.771 3.630 1.00 0.00 N ATOM 1529 CA MET A 98 7.422 -9.786 2.332 1.00 0.00 C ATOM 1530 C MET A 98 7.413 -11.180 1.713 1.00 0.00 C ATOM 1531 O MET A 98 7.033 -11.324 0.551 1.00 0.00 O ATOM 1532 CB MET A 98 8.861 -9.266 2.438 1.00 0.00 C ATOM 1533 CG MET A 98 8.931 -7.768 2.740 1.00 0.00 C ATOM 1534 SD MET A 98 10.631 -7.144 2.752 1.00 0.00 S ATOM 1535 CE MET A 98 10.369 -5.542 3.549 1.00 0.00 C ATOM 0 H MET A 98 7.354 -10.062 4.401 1.00 0.00 H new ATOM 0 HA MET A 98 6.861 -9.118 1.679 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.384 -9.814 3.222 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.385 -9.468 1.504 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.352 -7.223 1.995 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.469 -7.573 3.708 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.327 -5.138 3.878 1.00 0.00 H new ATOM 0 HE2 MET A 98 9.909 -4.854 2.840 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.713 -5.667 4.411 1.00 0.00 H new ATOM 1545 N ASP A 99 7.825 -12.208 2.463 1.00 0.00 N ATOM 1546 CA ASP A 99 7.986 -13.557 1.913 1.00 0.00 C ATOM 1547 C ASP A 99 6.645 -14.097 1.417 1.00 0.00 C ATOM 1548 O ASP A 99 6.551 -14.611 0.306 1.00 0.00 O ATOM 1549 CB ASP A 99 8.609 -14.510 2.951 1.00 0.00 C ATOM 1550 CG ASP A 99 8.801 -15.953 2.452 1.00 0.00 C ATOM 1551 OD1 ASP A 99 8.685 -16.223 1.237 1.00 0.00 O ATOM 1552 OD2 ASP A 99 9.071 -16.840 3.294 1.00 0.00 O ATOM 0 H ASP A 99 8.053 -12.130 3.454 1.00 0.00 H new ATOM 0 HA ASP A 99 8.668 -13.497 1.065 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.577 -14.112 3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 99 7.976 -14.526 3.838 1.00 0.00 H new ATOM 1557 N ALA A 100 5.580 -13.937 2.207 1.00 0.00 N ATOM 1558 CA ALA A 100 4.317 -14.661 2.014 1.00 0.00 C ATOM 1559 C ALA A 100 3.452 -14.091 0.875 1.00 0.00 C ATOM 1560 O ALA A 100 2.250 -14.370 0.792 1.00 0.00 O ATOM 1561 CB ALA A 100 3.531 -14.679 3.330 1.00 0.00 C ATOM 0 H ALA A 100 5.568 -13.299 3.003 1.00 0.00 H new ATOM 0 HA ALA A 100 4.573 -15.678 1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.594 -15.216 3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.121 -15.177 4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.319 -13.656 3.641 1.00 0.00 H new ATOM 1567 N LEU A 101 4.017 -13.243 0.021 1.00 0.00 N ATOM 1568 CA LEU A 101 3.349 -12.709 -1.152 1.00 0.00 C ATOM 1569 C LEU A 101 3.398 -13.714 -2.289 1.00 0.00 C ATOM 1570 O LEU A 101 4.166 -14.667 -2.279 1.00 0.00 O ATOM 1571 CB LEU A 101 4.029 -11.417 -1.598 1.00 0.00 C ATOM 1572 CG LEU A 101 3.985 -10.320 -0.528 1.00 0.00 C ATOM 1573 CD1 LEU A 101 4.720 -9.116 -1.091 1.00 0.00 C ATOM 1574 CD2 LEU A 101 2.556 -9.930 -0.137 1.00 0.00 C ATOM 0 H LEU A 101 4.972 -12.903 0.131 1.00 0.00 H new ATOM 0 HA LEU A 101 2.310 -12.506 -0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.068 -11.628 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.546 -11.053 -2.505 1.00 0.00 H new ATOM 0 HG LEU A 101 4.455 -10.691 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.712 -8.309 -0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.750 -9.391 -1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.226 -8.782 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.587 -9.150 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.027 -9.560 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.036 -10.802 0.259 1.00 0.00 H new ATOM 1586 N GLN A 102 2.544 -13.490 -3.281 1.00 0.00 N ATOM 1587 CA GLN A 102 2.391 -14.361 -4.426 1.00 0.00 C ATOM 1588 C GLN A 102 3.546 -14.224 -5.425 1.00 0.00 C ATOM 1589 O GLN A 102 3.778 -15.136 -6.218 1.00 0.00 O ATOM 1590 CB GLN A 102 1.058 -13.967 -5.070 1.00 0.00 C ATOM 1591 CG GLN A 102 0.537 -15.056 -5.996 1.00 0.00 C ATOM 1592 CD GLN A 102 -0.764 -14.664 -6.694 1.00 0.00 C ATOM 1593 OE1 GLN A 102 -1.083 -13.485 -6.865 1.00 0.00 O ATOM 1594 NE2 GLN A 102 -1.515 -15.631 -7.174 1.00 0.00 N ATOM 0 H GLN A 102 1.928 -12.678 -3.306 1.00 0.00 H new ATOM 0 HA GLN A 102 2.403 -15.406 -4.117 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.322 -13.769 -4.291 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.185 -13.041 -5.632 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.294 -15.281 -6.747 1.00 0.00 H new ATOM 0 HG3 GLN A 102 0.376 -15.969 -5.422 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.247 -16.604 -7.030 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -2.366 -15.408 -7.690 1.00 0.00 H new ATOM 1603 N ASP A 103 4.235 -13.086 -5.408 1.00 0.00 N ATOM 1604 CA ASP A 103 5.269 -12.640 -6.342 1.00 0.00 C ATOM 1605 C ASP A 103 6.343 -11.894 -5.533 1.00 0.00 C ATOM 1606 O ASP A 103 6.160 -11.625 -4.336 1.00 0.00 O ATOM 1607 CB ASP A 103 4.618 -11.680 -7.359 1.00 0.00 C ATOM 1608 CG ASP A 103 5.308 -11.599 -8.728 1.00 0.00 C ATOM 1609 OD1 ASP A 103 6.544 -11.771 -8.819 1.00 0.00 O ATOM 1610 OD2 ASP A 103 4.591 -11.290 -9.712 1.00 0.00 O ATOM 0 H ASP A 103 4.071 -12.392 -4.679 1.00 0.00 H new ATOM 0 HA ASP A 103 5.719 -13.480 -6.871 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.583 -11.987 -7.511 1.00 0.00 H new ATOM 0 HB3 ASP A 103 4.593 -10.681 -6.924 1.00 0.00 H new ATOM 1615 N ASN A 104 7.426 -11.467 -6.188 1.00 0.00 N ATOM 1616 CA ASN A 104 8.390 -10.522 -5.622 1.00 0.00 C ATOM 1617 C ASN A 104 7.884 -9.090 -5.694 1.00 0.00 C ATOM 1618 O ASN A 104 8.552 -8.172 -5.237 1.00 0.00 O ATOM 1619 CB ASN A 104 9.747 -10.608 -6.335 1.00 0.00 C ATOM 1620 CG ASN A 104 10.547 -11.836 -5.942 1.00 0.00 C ATOM 1621 OD1 ASN A 104 10.032 -12.940 -5.783 1.00 0.00 O ATOM 1622 ND2 ASN A 104 11.837 -11.635 -5.769 1.00 0.00 N ATOM 0 H ASN A 104 7.659 -11.770 -7.133 1.00 0.00 H new ATOM 0 HA ASN A 104 8.515 -10.802 -4.576 1.00 0.00 H new ATOM 0 HB2 ASN A 104 9.585 -10.617 -7.413 1.00 0.00 H new ATOM 0 HB3 ASN A 104 10.328 -9.714 -6.107 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.441 -12.409 -5.494 1.00 0.00 H new ATOM 0 HD22 ASN A 104 12.232 -10.705 -5.910 1.00 0.00 H new ATOM 1629 N SER A 105 6.720 -8.862 -6.284 1.00 0.00 N ATOM 1630 CA SER A 105 6.128 -7.545 -6.377 1.00 0.00 C ATOM 1631 C SER A 105 4.990 -7.399 -5.380 1.00 0.00 C ATOM 1632 O SER A 105 4.307 -8.370 -5.047 1.00 0.00 O ATOM 1633 CB SER A 105 5.574 -7.296 -7.772 1.00 0.00 C ATOM 1634 OG SER A 105 6.065 -8.115 -8.816 1.00 0.00 O ATOM 0 H SER A 105 6.158 -9.596 -6.714 1.00 0.00 H new ATOM 0 HA SER A 105 6.912 -6.820 -6.158 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.491 -7.412 -7.732 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.773 -6.257 -8.035 1.00 0.00 H new ATOM 0 HG SER A 105 7.027 -8.257 -8.695 1.00 0.00 H new ATOM 1640 N ILE A 106 4.702 -6.159 -4.997 1.00 0.00 N ATOM 1641 CA ILE A 106 3.539 -5.807 -4.207 1.00 0.00 C ATOM 1642 C ILE A 106 2.420 -5.352 -5.143 1.00 0.00 C ATOM 1643 O ILE A 106 2.687 -4.752 -6.189 1.00 0.00 O ATOM 1644 CB ILE A 106 3.974 -4.805 -3.109 1.00 0.00 C ATOM 1645 CG1 ILE A 106 2.893 -4.539 -2.045 1.00 0.00 C ATOM 1646 CG2 ILE A 106 4.566 -3.501 -3.653 1.00 0.00 C ATOM 1647 CD1 ILE A 106 1.884 -3.422 -2.336 1.00 0.00 C ATOM 0 H ILE A 106 5.286 -5.358 -5.235 1.00 0.00 H new ATOM 0 HA ILE A 106 3.116 -6.653 -3.666 1.00 0.00 H new ATOM 0 HB ILE A 106 4.788 -5.320 -2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.338 -5.464 -1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.394 -4.306 -1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.845 -2.854 -2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.449 -3.724 -4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.825 -2.996 -4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.181 -3.342 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.413 -2.476 -2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.340 -3.653 -3.252 1.00 0.00 H new ATOM 1659 N GLN A 107 1.166 -5.629 -4.779 1.00 0.00 N ATOM 1660 CA GLN A 107 -0.040 -5.055 -5.368 1.00 0.00 C ATOM 1661 C GLN A 107 -1.189 -5.181 -4.363 1.00 0.00 C ATOM 1662 O GLN A 107 -1.369 -6.237 -3.746 1.00 0.00 O ATOM 1663 CB GLN A 107 -0.385 -5.816 -6.658 1.00 0.00 C ATOM 1664 CG GLN A 107 -1.585 -5.211 -7.401 1.00 0.00 C ATOM 1665 CD GLN A 107 -2.076 -6.116 -8.519 1.00 0.00 C ATOM 1666 OE1 GLN A 107 -2.247 -7.316 -8.322 1.00 0.00 O ATOM 1667 NE2 GLN A 107 -2.398 -5.549 -9.659 1.00 0.00 N ATOM 0 H GLN A 107 0.957 -6.290 -4.031 1.00 0.00 H new ATOM 0 HA GLN A 107 0.121 -4.004 -5.607 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.483 -5.816 -7.318 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.601 -6.856 -6.414 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -2.397 -5.033 -6.695 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.305 -4.242 -7.815 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.244 -4.550 -9.793 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.802 -6.108 -10.410 1.00 0.00 H new ATOM 1676 N ILE A 108 -2.053 -4.171 -4.273 1.00 0.00 N ATOM 1677 CA ILE A 108 -3.304 -4.210 -3.517 1.00 0.00 C ATOM 1678 C ILE A 108 -4.456 -4.171 -4.534 1.00 0.00 C ATOM 1679 O ILE A 108 -4.286 -3.676 -5.645 1.00 0.00 O ATOM 1680 CB ILE A 108 -3.319 -3.046 -2.494 1.00 0.00 C ATOM 1681 CG1 ILE A 108 -2.197 -3.241 -1.441 1.00 0.00 C ATOM 1682 CG2 ILE A 108 -4.682 -2.982 -1.799 1.00 0.00 C ATOM 1683 CD1 ILE A 108 -2.139 -2.163 -0.349 1.00 0.00 C ATOM 0 H ILE A 108 -1.897 -3.277 -4.738 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.413 -5.121 -2.929 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.143 -2.110 -3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.331 -4.212 -0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.237 -3.268 -1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -4.686 -2.162 -1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.462 -2.818 -2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -4.869 -3.921 -1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.324 -2.386 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.971 -1.189 -0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.082 -2.148 0.198 1.00 0.00 H new ATOM 1695 N LYS A 109 -5.633 -4.706 -4.196 1.00 0.00 N ATOM 1696 CA LYS A 109 -6.837 -4.575 -5.017 1.00 0.00 C ATOM 1697 C LYS A 109 -8.053 -4.516 -4.080 1.00 0.00 C ATOM 1698 O LYS A 109 -7.952 -5.029 -2.960 1.00 0.00 O ATOM 1699 CB LYS A 109 -6.900 -5.723 -6.040 1.00 0.00 C ATOM 1700 CG LYS A 109 -6.785 -7.144 -5.452 1.00 0.00 C ATOM 1701 CD LYS A 109 -5.770 -8.020 -6.201 1.00 0.00 C ATOM 1702 CE LYS A 109 -4.327 -7.484 -6.216 1.00 0.00 C ATOM 1703 NZ LYS A 109 -3.719 -7.502 -4.869 1.00 0.00 N ATOM 0 H LYS A 109 -5.776 -5.244 -3.341 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.826 -3.655 -5.601 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.841 -5.649 -6.585 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.099 -5.583 -6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -6.495 -7.076 -4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -7.763 -7.624 -5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -5.767 -9.012 -5.750 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.107 -8.139 -7.231 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -3.723 -8.086 -6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.322 -6.465 -6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.726 -7.198 -4.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.241 -6.855 -4.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.762 -8.466 -4.482 1.00 0.00 H new ATOM 1717 N ALA A 110 -9.164 -3.881 -4.468 1.00 0.00 N ATOM 1718 CA ALA A 110 -10.357 -3.771 -3.621 1.00 0.00 C ATOM 1719 C ALA A 110 -11.644 -3.559 -4.435 1.00 0.00 C ATOM 1720 O ALA A 110 -11.598 -3.022 -5.543 1.00 0.00 O ATOM 1721 CB ALA A 110 -10.181 -2.595 -2.653 1.00 0.00 C ATOM 0 H ALA A 110 -9.262 -3.429 -5.377 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.460 -4.713 -3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.065 -2.509 -2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.304 -2.766 -2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.049 -1.674 -3.220 1.00 0.00 H new ATOM 1727 N LEU A 111 -12.788 -3.917 -3.842 1.00 0.00 N ATOM 1728 CA LEU A 111 -14.145 -3.707 -4.356 1.00 0.00 C ATOM 1729 C LEU A 111 -14.574 -2.257 -4.147 1.00 0.00 C ATOM 1730 O LEU A 111 -14.618 -1.795 -3.003 1.00 0.00 O ATOM 1731 CB LEU A 111 -15.114 -4.616 -3.580 1.00 0.00 C ATOM 1732 CG LEU A 111 -16.614 -4.326 -3.811 1.00 0.00 C ATOM 1733 CD1 LEU A 111 -17.108 -4.726 -5.200 1.00 0.00 C ATOM 1734 CD2 LEU A 111 -17.407 -5.090 -2.761 1.00 0.00 C ATOM 0 H LEU A 111 -12.791 -4.389 -2.938 1.00 0.00 H new ATOM 0 HA LEU A 111 -14.161 -3.939 -5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -14.914 -5.652 -3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -14.902 -4.522 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 111 -16.757 -3.248 -3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -18.169 -4.493 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -16.550 -4.175 -5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -16.958 -5.796 -5.346 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -18.472 -4.903 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -17.210 -6.157 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.108 -4.758 -1.767 1.00 0.00 H new ATOM 1746 N SER A 112 -15.018 -1.598 -5.217 1.00 0.00 N ATOM 1747 CA SER A 112 -15.429 -0.195 -5.209 1.00 0.00 C ATOM 1748 C SER A 112 -16.916 -0.046 -5.567 1.00 0.00 C ATOM 1749 O SER A 112 -17.715 0.301 -4.695 1.00 0.00 O ATOM 1750 CB SER A 112 -14.507 0.614 -6.128 1.00 0.00 C ATOM 1751 OG SER A 112 -14.466 0.076 -7.428 1.00 0.00 O ATOM 0 H SER A 112 -15.104 -2.035 -6.134 1.00 0.00 H new ATOM 0 HA SER A 112 -15.327 0.208 -4.201 1.00 0.00 H new ATOM 0 HB2 SER A 112 -14.852 1.647 -6.172 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.501 0.632 -5.710 1.00 0.00 H new ATOM 0 HG SER A 112 -14.003 0.700 -8.026 1.00 0.00 H new ATOM 1757 N SER A 113 -17.273 -0.298 -6.830 1.00 0.00 N ATOM 1758 CA SER A 113 -18.606 -0.192 -7.409 1.00 0.00 C ATOM 1759 C SER A 113 -19.151 -1.614 -7.644 1.00 0.00 C ATOM 1760 O SER A 113 -18.503 -2.596 -7.270 1.00 0.00 O ATOM 1761 CB SER A 113 -18.483 0.681 -8.677 1.00 0.00 C ATOM 1762 OG SER A 113 -19.704 0.945 -9.336 1.00 0.00 O ATOM 0 H SER A 113 -16.586 -0.603 -7.519 1.00 0.00 H new ATOM 0 HA SER A 113 -19.331 0.295 -6.757 1.00 0.00 H new ATOM 0 HB2 SER A 113 -18.021 1.630 -8.404 1.00 0.00 H new ATOM 0 HB3 SER A 113 -17.808 0.188 -9.377 1.00 0.00 H new ATOM 0 HG SER A 113 -19.536 1.503 -10.124 1.00 0.00 H new ATOM 1768 N GLY A 114 -20.352 -1.736 -8.216 1.00 0.00 N ATOM 1769 CA GLY A 114 -21.132 -2.962 -8.340 1.00 0.00 C ATOM 1770 C GLY A 114 -20.335 -4.122 -8.928 1.00 0.00 C ATOM 1771 O GLY A 114 -20.214 -4.250 -10.143 1.00 0.00 O ATOM 0 H GLY A 114 -20.830 -0.934 -8.627 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -21.507 -3.248 -7.357 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -22.001 -2.770 -8.969 1.00 0.00 H new ATOM 1775 N THR A 115 -19.829 -4.998 -8.059 1.00 0.00 N ATOM 1776 CA THR A 115 -19.072 -6.214 -8.363 1.00 0.00 C ATOM 1777 C THR A 115 -17.701 -5.972 -9.009 1.00 0.00 C ATOM 1778 O THR A 115 -17.014 -6.949 -9.319 1.00 0.00 O ATOM 1779 CB THR A 115 -19.921 -7.236 -9.157 1.00 0.00 C ATOM 1780 OG1 THR A 115 -20.071 -6.928 -10.528 1.00 0.00 O ATOM 1781 CG2 THR A 115 -21.324 -7.413 -8.585 1.00 0.00 C ATOM 0 H THR A 115 -19.945 -4.868 -7.054 1.00 0.00 H new ATOM 0 HA THR A 115 -18.842 -6.652 -7.392 1.00 0.00 H new ATOM 0 HB THR A 115 -19.345 -8.156 -9.058 1.00 0.00 H new ATOM 0 HG1 THR A 115 -20.020 -5.957 -10.653 1.00 0.00 H new ATOM 0 HG21 THR A 115 -21.872 -8.141 -9.183 1.00 0.00 H new ATOM 0 HG22 THR A 115 -21.256 -7.766 -7.556 1.00 0.00 H new ATOM 0 HG23 THR A 115 -21.849 -6.458 -8.606 1.00 0.00 H new ATOM 1789 N THR A 116 -17.281 -4.720 -9.193 1.00 0.00 N ATOM 1790 CA THR A 116 -16.034 -4.378 -9.840 1.00 0.00 C ATOM 1791 C THR A 116 -14.920 -4.678 -8.835 1.00 0.00 C ATOM 1792 O THR A 116 -15.162 -4.934 -7.652 1.00 0.00 O ATOM 1793 CB THR A 116 -16.100 -2.890 -10.267 1.00 0.00 C ATOM 1794 OG1 THR A 116 -15.263 -2.583 -11.365 1.00 0.00 O ATOM 1795 CG2 THR A 116 -15.670 -1.937 -9.165 1.00 0.00 C ATOM 0 H THR A 116 -17.815 -3.907 -8.887 1.00 0.00 H new ATOM 0 HA THR A 116 -15.841 -4.954 -10.745 1.00 0.00 H new ATOM 0 HB THR A 116 -17.151 -2.757 -10.524 1.00 0.00 H new ATOM 0 HG1 THR A 116 -15.350 -1.632 -11.587 1.00 0.00 H new ATOM 0 HG21 THR A 116 -15.738 -0.910 -9.525 1.00 0.00 H new ATOM 0 HG22 THR A 116 -16.322 -2.062 -8.301 1.00 0.00 H new ATOM 0 HG23 THR A 116 -14.641 -2.153 -8.878 1.00 0.00 H new ATOM 1803 N PHE A 117 -13.682 -4.573 -9.279 1.00 0.00 N ATOM 1804 CA PHE A 117 -12.523 -4.627 -8.427 1.00 0.00 C ATOM 1805 C PHE A 117 -11.486 -3.720 -9.074 1.00 0.00 C ATOM 1806 O PHE A 117 -11.163 -3.890 -10.250 1.00 0.00 O ATOM 1807 CB PHE A 117 -12.093 -6.092 -8.304 1.00 0.00 C ATOM 1808 CG PHE A 117 -11.997 -6.565 -6.872 1.00 0.00 C ATOM 1809 CD1 PHE A 117 -13.153 -7.026 -6.228 1.00 0.00 C ATOM 1810 CD2 PHE A 117 -10.777 -6.521 -6.182 1.00 0.00 C ATOM 1811 CE1 PHE A 117 -13.093 -7.457 -4.891 1.00 0.00 C ATOM 1812 CE2 PHE A 117 -10.710 -6.950 -4.843 1.00 0.00 C ATOM 1813 CZ PHE A 117 -11.870 -7.412 -4.195 1.00 0.00 C ATOM 0 H PHE A 117 -13.456 -4.445 -10.265 1.00 0.00 H new ATOM 0 HA PHE A 117 -12.693 -4.276 -7.409 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -12.805 -6.719 -8.840 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -11.125 -6.222 -8.789 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -14.093 -7.050 -6.760 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -9.889 -6.158 -6.678 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -13.983 -7.822 -4.399 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.769 -6.924 -4.314 1.00 0.00 H new ATOM 0 HZ PHE A 117 -11.822 -7.732 -3.165 1.00 0.00 H new ATOM 1823 N VAL A 118 -11.026 -2.708 -8.346 1.00 0.00 N ATOM 1824 CA VAL A 118 -9.900 -1.902 -8.787 1.00 0.00 C ATOM 1825 C VAL A 118 -8.650 -2.707 -8.441 1.00 0.00 C ATOM 1826 O VAL A 118 -8.592 -3.331 -7.374 1.00 0.00 O ATOM 1827 CB VAL A 118 -9.899 -0.506 -8.128 1.00 0.00 C ATOM 1828 CG1 VAL A 118 -8.984 0.455 -8.904 1.00 0.00 C ATOM 1829 CG2 VAL A 118 -11.298 0.116 -8.060 1.00 0.00 C ATOM 0 H VAL A 118 -11.418 -2.428 -7.447 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.950 -1.703 -9.858 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.534 -0.651 -7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.995 1.434 -8.425 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.966 0.065 -8.908 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.341 0.548 -9.930 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.238 1.096 -7.588 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.698 0.223 -9.068 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -11.955 -0.529 -7.476 1.00 0.00 H new ATOM 1839 N TYR A 119 -7.628 -2.651 -9.293 1.00 0.00 N ATOM 1840 CA TYR A 119 -6.310 -3.216 -9.027 1.00 0.00 C ATOM 1841 C TYR A 119 -5.303 -2.081 -9.014 1.00 0.00 C ATOM 1842 O TYR A 119 -5.284 -1.244 -9.924 1.00 0.00 O ATOM 1843 CB TYR A 119 -5.943 -4.273 -10.080 1.00 0.00 C ATOM 1844 CG TYR A 119 -6.904 -5.444 -10.147 1.00 0.00 C ATOM 1845 CD1 TYR A 119 -8.145 -5.284 -10.784 1.00 0.00 C ATOM 1846 CD2 TYR A 119 -6.579 -6.677 -9.552 1.00 0.00 C ATOM 1847 CE1 TYR A 119 -9.089 -6.316 -10.774 1.00 0.00 C ATOM 1848 CE2 TYR A 119 -7.520 -7.728 -9.548 1.00 0.00 C ATOM 1849 CZ TYR A 119 -8.790 -7.540 -10.138 1.00 0.00 C ATOM 1850 OH TYR A 119 -9.724 -8.525 -10.071 1.00 0.00 O ATOM 0 H TYR A 119 -7.696 -2.202 -10.206 1.00 0.00 H new ATOM 0 HA TYR A 119 -6.309 -3.719 -8.060 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -5.901 -3.795 -11.059 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -4.943 -4.650 -9.867 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -8.373 -4.355 -11.286 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -5.609 -6.819 -9.098 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -10.047 -6.176 -11.253 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -7.270 -8.676 -9.094 1.00 0.00 H new ATOM 0 HH TYR A 119 -9.350 -9.299 -9.600 1.00 0.00 H new ATOM 1860 N SER A 120 -4.476 -2.026 -7.972 1.00 0.00 N ATOM 1861 CA SER A 120 -3.385 -1.076 -7.939 1.00 0.00 C ATOM 1862 C SER A 120 -2.358 -1.446 -9.008 1.00 0.00 C ATOM 1863 O SER A 120 -2.360 -2.564 -9.530 1.00 0.00 O ATOM 1864 CB SER A 120 -2.801 -1.004 -6.518 1.00 0.00 C ATOM 1865 OG SER A 120 -1.790 -1.964 -6.240 1.00 0.00 O ATOM 0 H SER A 120 -4.546 -2.626 -7.150 1.00 0.00 H new ATOM 0 HA SER A 120 -3.736 -0.072 -8.176 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.389 -0.007 -6.360 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.611 -1.132 -5.800 1.00 0.00 H new ATOM 0 HG SER A 120 -1.022 -1.810 -6.829 1.00 0.00 H new ATOM 1871 N GLN A 121 -1.423 -0.531 -9.258 1.00 0.00 N ATOM 1872 CA GLN A 121 -0.247 -0.830 -10.057 1.00 0.00 C ATOM 1873 C GLN A 121 0.592 -1.889 -9.343 1.00 0.00 C ATOM 1874 O GLN A 121 0.447 -2.063 -8.127 1.00 0.00 O ATOM 1875 CB GLN A 121 0.524 0.466 -10.368 1.00 0.00 C ATOM 1876 CG GLN A 121 0.824 1.410 -9.186 1.00 0.00 C ATOM 1877 CD GLN A 121 1.313 2.785 -9.643 1.00 0.00 C ATOM 1878 OE1 GLN A 121 0.925 3.299 -10.689 1.00 0.00 O ATOM 1879 NE2 GLN A 121 2.094 3.461 -8.822 1.00 0.00 N ATOM 0 H GLN A 121 -1.462 0.428 -8.914 1.00 0.00 H new ATOM 0 HA GLN A 121 -0.531 -1.250 -11.022 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.472 0.192 -10.830 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -0.043 1.026 -11.112 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -0.077 1.530 -8.584 1.00 0.00 H new ATOM 0 HG3 GLN A 121 1.578 0.955 -8.544 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.415 3.032 -7.954 1.00 0.00 H new ATOM 0 HE22 GLN A 121 2.377 4.413 -9.055 1.00 0.00 H new ATOM 1888 N LYS A 122 1.446 -2.594 -10.086 1.00 0.00 N ATOM 1889 CA LYS A 122 2.406 -3.553 -9.546 1.00 0.00 C ATOM 1890 C LYS A 122 3.743 -2.846 -9.376 1.00 0.00 C ATOM 1891 O LYS A 122 4.161 -2.151 -10.297 1.00 0.00 O ATOM 1892 CB LYS A 122 2.543 -4.738 -10.516 1.00 0.00 C ATOM 1893 CG LYS A 122 3.512 -5.811 -9.992 1.00 0.00 C ATOM 1894 CD LYS A 122 3.660 -6.977 -10.981 1.00 0.00 C ATOM 1895 CE LYS A 122 4.677 -6.602 -12.064 1.00 0.00 C ATOM 1896 NZ LYS A 122 4.375 -7.235 -13.366 1.00 0.00 N ATOM 0 H LYS A 122 1.489 -2.511 -11.102 1.00 0.00 H new ATOM 0 HA LYS A 122 2.069 -3.933 -8.582 1.00 0.00 H new ATOM 0 HB2 LYS A 122 1.563 -5.186 -10.680 1.00 0.00 H new ATOM 0 HB3 LYS A 122 2.894 -4.375 -11.482 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.488 -5.362 -9.811 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.153 -6.189 -9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 122 3.987 -7.874 -10.456 1.00 0.00 H new ATOM 0 HD3 LYS A 122 2.696 -7.207 -11.436 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.692 -5.519 -12.185 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.674 -6.901 -11.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.091 -6.951 -14.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.386 -8.270 -13.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 3.435 -6.931 -13.690 1.00 0.00 H new ATOM 1910 N ILE A 123 4.417 -3.064 -8.248 1.00 0.00 N ATOM 1911 CA ILE A 123 5.752 -2.557 -7.958 1.00 0.00 C ATOM 1912 C ILE A 123 6.540 -3.786 -7.567 1.00 0.00 C ATOM 1913 O ILE A 123 6.346 -4.328 -6.478 1.00 0.00 O ATOM 1914 CB ILE A 123 5.715 -1.472 -6.853 1.00 0.00 C ATOM 1915 CG1 ILE A 123 4.702 -0.325 -7.077 1.00 0.00 C ATOM 1916 CG2 ILE A 123 7.125 -0.906 -6.628 1.00 0.00 C ATOM 1917 CD1 ILE A 123 4.933 0.541 -8.314 1.00 0.00 C ATOM 0 H ILE A 123 4.032 -3.620 -7.484 1.00 0.00 H new ATOM 0 HA ILE A 123 6.212 -2.051 -8.807 1.00 0.00 H new ATOM 0 HB ILE A 123 5.355 -1.985 -5.961 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.703 -0.757 -7.142 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.714 0.320 -6.199 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.091 -0.144 -5.850 1.00 0.00 H new ATOM 0 HG22 ILE A 123 7.795 -1.709 -6.320 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.491 -0.463 -7.554 1.00 0.00 H new ATOM 0 HD11 ILE A 123 4.163 1.311 -8.368 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.914 1.012 -8.250 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.887 -0.081 -9.208 1.00 0.00 H new ATOM 1929 N ASP A 124 7.377 -4.264 -8.484 1.00 0.00 N ATOM 1930 CA ASP A 124 8.369 -5.284 -8.166 1.00 0.00 C ATOM 1931 C ASP A 124 9.222 -4.743 -7.022 1.00 0.00 C ATOM 1932 O ASP A 124 9.618 -3.575 -7.042 1.00 0.00 O ATOM 1933 CB ASP A 124 9.191 -5.669 -9.408 1.00 0.00 C ATOM 1934 CG ASP A 124 8.828 -7.041 -9.980 1.00 0.00 C ATOM 1935 OD1 ASP A 124 8.596 -8.001 -9.212 1.00 0.00 O ATOM 1936 OD2 ASP A 124 8.718 -7.131 -11.223 1.00 0.00 O ATOM 0 H ASP A 124 7.387 -3.959 -9.457 1.00 0.00 H new ATOM 0 HA ASP A 124 7.893 -6.211 -7.848 1.00 0.00 H new ATOM 0 HB2 ASP A 124 9.045 -4.913 -10.179 1.00 0.00 H new ATOM 0 HB3 ASP A 124 10.250 -5.661 -9.150 1.00 0.00 H new ATOM 1941 N PHE A 125 9.447 -5.539 -5.986 1.00 0.00 N ATOM 1942 CA PHE A 125 10.424 -5.179 -4.942 1.00 0.00 C ATOM 1943 C PHE A 125 11.405 -6.315 -4.661 1.00 0.00 C ATOM 1944 O PHE A 125 11.407 -7.315 -5.388 1.00 0.00 O ATOM 1945 CB PHE A 125 9.744 -4.639 -3.677 1.00 0.00 C ATOM 1946 CG PHE A 125 9.012 -5.658 -2.834 1.00 0.00 C ATOM 1947 CD1 PHE A 125 7.757 -6.143 -3.230 1.00 0.00 C ATOM 1948 CD2 PHE A 125 9.613 -6.150 -1.667 1.00 0.00 C ATOM 1949 CE1 PHE A 125 7.167 -7.203 -2.517 1.00 0.00 C ATOM 1950 CE2 PHE A 125 9.013 -7.176 -0.935 1.00 0.00 C ATOM 1951 CZ PHE A 125 7.811 -7.732 -1.382 1.00 0.00 C ATOM 0 H PHE A 125 8.977 -6.432 -5.837 1.00 0.00 H new ATOM 0 HA PHE A 125 11.024 -4.356 -5.331 1.00 0.00 H new ATOM 0 HB2 PHE A 125 10.502 -4.160 -3.057 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.036 -3.864 -3.971 1.00 0.00 H new ATOM 0 HD1 PHE A 125 7.247 -5.706 -4.076 1.00 0.00 H new ATOM 0 HD2 PHE A 125 10.550 -5.731 -1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 125 6.221 -7.611 -2.840 1.00 0.00 H new ATOM 0 HE2 PHE A 125 9.475 -7.538 -0.028 1.00 0.00 H new ATOM 0 HZ PHE A 125 7.375 -8.569 -0.856 1.00 0.00 H new ATOM 1961 N GLU A 126 12.314 -6.157 -3.696 1.00 0.00 N ATOM 1962 CA GLU A 126 13.322 -7.152 -3.389 1.00 0.00 C ATOM 1963 C GLU A 126 13.275 -7.309 -1.863 1.00 0.00 C ATOM 1964 O GLU A 126 12.798 -6.405 -1.171 1.00 0.00 O ATOM 1965 CB GLU A 126 14.614 -6.590 -3.989 1.00 0.00 C ATOM 1966 CG GLU A 126 14.712 -6.694 -5.508 1.00 0.00 C ATOM 1967 CD GLU A 126 15.826 -5.857 -6.138 1.00 0.00 C ATOM 1968 OE1 GLU A 126 16.399 -4.962 -5.479 1.00 0.00 O ATOM 1969 OE2 GLU A 126 16.083 -6.046 -7.350 1.00 0.00 O ATOM 0 H GLU A 126 12.364 -5.326 -3.106 1.00 0.00 H new ATOM 0 HA GLU A 126 13.198 -8.154 -3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 126 14.704 -5.542 -3.704 1.00 0.00 H new ATOM 0 HB3 GLU A 126 15.461 -7.115 -3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 126 14.865 -7.739 -5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 126 13.759 -6.390 -5.941 1.00 0.00 H new ATOM 1976 N ARG A 127 13.676 -8.468 -1.324 1.00 0.00 N ATOM 1977 CA ARG A 127 13.288 -8.890 0.036 1.00 0.00 C ATOM 1978 C ARG A 127 14.511 -9.046 0.940 1.00 0.00 C ATOM 1979 O ARG A 127 14.941 -10.168 1.217 1.00 0.00 O ATOM 1980 CB ARG A 127 12.436 -10.172 0.040 1.00 0.00 C ATOM 1981 CG ARG A 127 11.147 -10.183 -0.800 1.00 0.00 C ATOM 1982 CD ARG A 127 11.335 -10.495 -2.284 1.00 0.00 C ATOM 1983 NE ARG A 127 12.045 -11.770 -2.491 1.00 0.00 N ATOM 1984 CZ ARG A 127 11.484 -12.955 -2.767 1.00 0.00 C ATOM 1985 NH1 ARG A 127 10.166 -13.109 -2.739 1.00 0.00 N ATOM 1986 NH2 ARG A 127 12.263 -13.984 -3.087 1.00 0.00 N ATOM 0 H ARG A 127 14.273 -9.137 -1.810 1.00 0.00 H new ATOM 0 HA ARG A 127 12.663 -8.093 0.438 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.066 -10.993 -0.303 1.00 0.00 H new ATOM 0 HB3 ARG A 127 12.164 -10.389 1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 127 10.463 -10.918 -0.375 1.00 0.00 H new ATOM 0 HG3 ARG A 127 10.666 -9.209 -0.709 1.00 0.00 H new ATOM 0 HD2 ARG A 127 10.361 -10.538 -2.772 1.00 0.00 H new ATOM 0 HD3 ARG A 127 11.893 -9.687 -2.757 1.00 0.00 H new ATOM 0 HE ARG A 127 13.062 -11.748 -2.417 1.00 0.00 H new ATOM 0 HH11 ARG A 127 9.565 -12.319 -2.505 1.00 0.00 H new ATOM 0 HH12 ARG A 127 9.754 -14.018 -2.952 1.00 0.00 H new ATOM 0 HH21 ARG A 127 13.276 -13.866 -3.120 1.00 0.00 H new ATOM 0 HH22 ARG A 127 11.848 -14.891 -3.299 1.00 0.00 H new ATOM 2000 N GLU A 128 15.065 -7.921 1.388 1.00 0.00 N ATOM 2001 CA GLU A 128 16.378 -7.763 2.007 1.00 0.00 C ATOM 2002 C GLU A 128 17.465 -8.172 1.018 1.00 0.00 C ATOM 2003 O GLU A 128 18.215 -7.296 0.542 1.00 0.00 O ATOM 2004 CB GLU A 128 16.475 -8.516 3.346 1.00 0.00 C ATOM 2005 CG GLU A 128 15.330 -8.293 4.354 1.00 0.00 C ATOM 2006 CD GLU A 128 15.174 -9.451 5.346 1.00 0.00 C ATOM 2007 OE1 GLU A 128 16.085 -9.613 6.193 1.00 0.00 O ATOM 2008 OE2 GLU A 128 14.130 -10.146 5.327 1.00 0.00 O ATOM 0 H GLU A 128 14.571 -7.031 1.323 1.00 0.00 H new ATOM 0 HA GLU A 128 16.528 -6.712 2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 128 16.536 -9.583 3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 128 17.411 -8.233 3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 128 15.513 -7.371 4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 128 14.395 -8.159 3.810 1.00 0.00 H new