USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1069 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 120 ASN : amide:sc= 0.4 K(o=1.2,f=0.094) USER MOD Set 1.2: A 124 GLN : amide:sc= 0.77 K(o=1.2,f=0.31) USER MOD Set 2.1: A 51 SER OG : rot 36:sc= 1.66 USER MOD Set 2.2: A 126 HIS : no HD1:sc= 0.579 K(o=2.2,f=-2.7!) USER MOD Set 3.1: A 9 SER OG : rot -156:sc= 0.832 USER MOD Set 3.2: A 52 LYS NZ :NH3+ -152:sc= 0.958 (180deg=0) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0398) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 ASN : amide:sc= -0.012 X(o=-0.012,f=-0.5) USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -144:sc= 0.0263 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 2.54 (180deg=2.31) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 15:sc= -0.0201 USER MOD Single : A 27 SER OG : rot 180:sc= 0.367 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00153) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 42:sc= 0.878 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 171:sc= 1.28 (180deg=1.19) USER MOD Single : A 63 LYS NZ :NH3+ 156:sc= 2.29 (180deg=1.82) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.661 K(o=0.66,f=-0.6) USER MOD Single : A 76 GLN : amide:sc= 0.0438 X(o=0.044,f=-0.2) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -70:sc= 0.791 USER MOD Single : A 88 SER OG : rot 180:sc= 0.683 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 30:sc= 0.508 USER MOD Single : A 97 GLN : amide:sc= 0.892 K(o=0.89,f=0) USER MOD Single : A 100 THR OG1 : rot -42:sc= 0.11 USER MOD Single : A 103 SER OG : rot 77:sc= 0.658 USER MOD Single : A 111 THR OG1 : rot -24:sc= 0.0147 USER MOD Single : A 122 SER OG : rot 82:sc= 1.23 USER MOD Single : A 128 LYS NZ :NH3+ 177:sc= 1.95 (180deg=1.94) USER MOD Single : A 131 LYS NZ :NH3+ 170:sc= 1.82 (180deg=1.63) USER MOD Single : A 132 GLN : amide:sc= 0.956 K(o=0.96,f=-0.054) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 -14.847 16.773 30.198 1.00 0.00 N ATOM 2 CA GLY A -4 -14.000 17.963 29.956 1.00 0.00 C ATOM 3 C GLY A -4 -13.509 18.020 28.516 1.00 0.00 C ATOM 4 O GLY A -4 -14.191 17.544 27.608 1.00 0.00 O ATOM 0 H1 GLY A -4 -15.608 17.018 30.863 1.00 0.00 H new ATOM 0 H2 GLY A -4 -15.262 16.454 29.299 1.00 0.00 H new ATOM 0 H3 GLY A -4 -14.267 16.010 30.602 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -14.567 18.866 30.183 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -13.145 17.945 30.632 1.00 0.00 H new ATOM 10 N SER A -3 -12.325 18.605 28.301 1.00 0.00 N ATOM 11 CA SER A -3 -11.631 18.719 26.998 1.00 0.00 C ATOM 12 C SER A -3 -12.513 19.229 25.832 1.00 0.00 C ATOM 13 O SER A -3 -12.668 18.529 24.824 1.00 0.00 O ATOM 14 CB SER A -3 -10.914 17.402 26.658 1.00 0.00 C ATOM 15 OG SER A -3 -10.014 17.040 27.698 1.00 0.00 O ATOM 0 H SER A -3 -11.795 19.033 29.060 1.00 0.00 H new ATOM 0 HA SER A -3 -10.886 19.506 27.121 1.00 0.00 H new ATOM 0 HB2 SER A -3 -11.648 16.609 26.512 1.00 0.00 H new ATOM 0 HB3 SER A -3 -10.370 17.509 25.720 1.00 0.00 H new ATOM 0 HG SER A -3 -9.568 16.199 27.466 1.00 0.00 H new ATOM 21 N PRO A -2 -13.091 20.448 25.922 1.00 0.00 N ATOM 22 CA PRO A -2 -13.991 21.011 24.903 1.00 0.00 C ATOM 23 C PRO A -2 -13.288 21.430 23.594 1.00 0.00 C ATOM 24 O PRO A -2 -13.944 21.889 22.657 1.00 0.00 O ATOM 25 CB PRO A -2 -14.655 22.209 25.593 1.00 0.00 C ATOM 26 CG PRO A -2 -13.560 22.706 26.533 1.00 0.00 C ATOM 27 CD PRO A -2 -12.922 21.403 27.012 1.00 0.00 C ATOM 0 HA PRO A -2 -14.705 20.257 24.572 1.00 0.00 H new ATOM 0 HB2 PRO A -2 -14.952 22.975 24.877 1.00 0.00 H new ATOM 0 HB3 PRO A -2 -15.553 21.916 26.137 1.00 0.00 H new ATOM 0 HG2 PRO A -2 -12.842 23.345 26.018 1.00 0.00 H new ATOM 0 HG3 PRO A -2 -13.968 23.287 27.360 1.00 0.00 H new ATOM 0 HD2 PRO A -2 -11.867 21.547 27.244 1.00 0.00 H new ATOM 0 HD3 PRO A -2 -13.402 21.045 27.922 1.00 0.00 H new ATOM 35 N ASN A -1 -11.963 21.274 23.502 1.00 0.00 N ATOM 36 CA ASN A -1 -11.129 21.675 22.360 1.00 0.00 C ATOM 37 C ASN A -1 -11.543 21.013 21.027 1.00 0.00 C ATOM 38 O ASN A -1 -11.299 21.578 19.961 1.00 0.00 O ATOM 39 CB ASN A -1 -9.664 21.342 22.701 1.00 0.00 C ATOM 40 CG ASN A -1 -9.196 21.996 23.990 1.00 0.00 C ATOM 41 OD1 ASN A -1 -9.352 21.451 25.075 1.00 0.00 O ATOM 42 ND2 ASN A -1 -8.653 23.192 23.928 1.00 0.00 N ATOM 0 H ASN A -1 -11.418 20.847 24.251 1.00 0.00 H new ATOM 0 HA ASN A -1 -11.264 22.745 22.202 1.00 0.00 H new ATOM 0 HB2 ASN A -1 -9.552 20.261 22.786 1.00 0.00 H new ATOM 0 HB3 ASN A -1 -9.022 21.665 21.881 1.00 0.00 H new ATOM 0 HD21 ASN A -1 -8.362 23.665 24.784 1.00 0.00 H new ATOM 0 HD22 ASN A -1 -8.523 23.647 23.024 1.00 0.00 H new ATOM 49 N SER A 0 -12.227 19.865 21.073 1.00 0.00 N ATOM 50 CA SER A 0 -12.821 19.187 19.908 1.00 0.00 C ATOM 51 C SER A 0 -13.918 19.998 19.194 1.00 0.00 C ATOM 52 O SER A 0 -14.266 19.688 18.054 1.00 0.00 O ATOM 53 CB SER A 0 -13.383 17.829 20.344 1.00 0.00 C ATOM 54 OG SER A 0 -14.350 17.996 21.371 1.00 0.00 O ATOM 0 H SER A 0 -12.389 19.364 21.947 1.00 0.00 H new ATOM 0 HA SER A 0 -12.018 19.067 19.181 1.00 0.00 H new ATOM 0 HB2 SER A 0 -13.835 17.325 19.490 1.00 0.00 H new ATOM 0 HB3 SER A 0 -12.574 17.191 20.699 1.00 0.00 H new ATOM 0 HG SER A 0 -14.700 17.120 21.636 1.00 0.00 H new ATOM 60 N MET A 1 -14.434 21.064 19.820 1.00 0.00 N ATOM 61 CA MET A 1 -15.405 22.008 19.241 1.00 0.00 C ATOM 62 C MET A 1 -14.742 23.184 18.484 1.00 0.00 C ATOM 63 O MET A 1 -15.433 24.113 18.059 1.00 0.00 O ATOM 64 CB MET A 1 -16.362 22.509 20.341 1.00 0.00 C ATOM 65 CG MET A 1 -17.089 21.365 21.065 1.00 0.00 C ATOM 66 SD MET A 1 -18.263 21.887 22.350 1.00 0.00 S ATOM 67 CE MET A 1 -19.596 22.577 21.329 1.00 0.00 C ATOM 0 H MET A 1 -14.179 21.303 20.778 1.00 0.00 H new ATOM 0 HA MET A 1 -15.975 21.466 18.487 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.798 23.093 21.068 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.099 23.179 19.898 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.625 20.770 20.325 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.344 20.712 21.519 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.433 22.861 21.967 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.230 23.456 20.798 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.926 21.829 20.608 1.00 0.00 H new ATOM 77 N ALA A 2 -13.413 23.161 18.317 1.00 0.00 N ATOM 78 CA ALA A 2 -12.618 24.176 17.613 1.00 0.00 C ATOM 79 C ALA A 2 -11.494 23.535 16.773 1.00 0.00 C ATOM 80 O ALA A 2 -11.363 23.824 15.582 1.00 0.00 O ATOM 81 CB ALA A 2 -12.059 25.160 18.651 1.00 0.00 C ATOM 0 H ALA A 2 -12.838 22.403 18.684 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.254 24.713 16.909 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.465 25.922 18.147 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.883 25.635 19.183 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.431 24.622 19.361 1.00 0.00 H new ATOM 87 N THR A 3 -10.747 22.592 17.357 1.00 0.00 N ATOM 88 CA THR A 3 -9.910 21.617 16.636 1.00 0.00 C ATOM 89 C THR A 3 -10.791 20.421 16.265 1.00 0.00 C ATOM 90 O THR A 3 -10.796 19.376 16.915 1.00 0.00 O ATOM 91 CB THR A 3 -8.685 21.194 17.460 1.00 0.00 C ATOM 92 OG1 THR A 3 -7.955 22.332 17.879 1.00 0.00 O ATOM 93 CG2 THR A 3 -7.739 20.334 16.620 1.00 0.00 C ATOM 0 H THR A 3 -10.704 22.480 18.370 1.00 0.00 H new ATOM 0 HA THR A 3 -9.510 22.073 15.730 1.00 0.00 H new ATOM 0 HB THR A 3 -9.051 20.631 18.319 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.178 22.047 18.404 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.878 20.045 17.223 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.263 19.439 16.283 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.401 20.904 15.754 1.00 0.00 H new ATOM 101 N GLU A 4 -11.626 20.630 15.254 1.00 0.00 N ATOM 102 CA GLU A 4 -12.839 19.841 14.994 1.00 0.00 C ATOM 103 C GLU A 4 -12.735 18.875 13.797 1.00 0.00 C ATOM 104 O GLU A 4 -13.748 18.473 13.219 1.00 0.00 O ATOM 105 CB GLU A 4 -14.043 20.795 14.931 1.00 0.00 C ATOM 106 CG GLU A 4 -13.993 21.762 13.740 1.00 0.00 C ATOM 107 CD GLU A 4 -15.278 22.610 13.654 1.00 0.00 C ATOM 108 OE1 GLU A 4 -16.302 22.118 13.118 1.00 0.00 O ATOM 109 OE2 GLU A 4 -15.272 23.782 14.102 1.00 0.00 O ATOM 0 H GLU A 4 -11.480 21.372 14.570 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.981 19.152 15.826 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.960 20.208 14.875 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.090 21.371 15.855 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.128 22.418 13.837 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.864 21.198 12.816 1.00 0.00 H new ATOM 116 N LEU A 5 -11.509 18.499 13.413 1.00 0.00 N ATOM 117 CA LEU A 5 -11.243 17.573 12.307 1.00 0.00 C ATOM 118 C LEU A 5 -11.915 16.208 12.545 1.00 0.00 C ATOM 119 O LEU A 5 -11.614 15.515 13.518 1.00 0.00 O ATOM 120 CB LEU A 5 -9.724 17.371 12.111 1.00 0.00 C ATOM 121 CG LEU A 5 -9.016 18.440 11.260 1.00 0.00 C ATOM 122 CD1 LEU A 5 -8.848 19.770 12.000 1.00 0.00 C ATOM 123 CD2 LEU A 5 -7.631 17.926 10.859 1.00 0.00 C ATOM 0 H LEU A 5 -10.661 18.835 13.870 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.665 18.018 11.406 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.250 17.341 13.092 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.562 16.398 11.648 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.642 18.623 10.386 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.343 20.486 11.352 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.828 20.159 12.276 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -8.253 19.613 12.900 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.124 18.679 10.256 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.044 17.724 11.755 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.737 17.008 10.280 1.00 0.00 H new ATOM 135 N GLU A 6 -12.760 15.791 11.600 1.00 0.00 N ATOM 136 CA GLU A 6 -13.316 14.431 11.509 1.00 0.00 C ATOM 137 C GLU A 6 -12.757 13.707 10.278 1.00 0.00 C ATOM 138 O GLU A 6 -13.472 13.277 9.372 1.00 0.00 O ATOM 139 CB GLU A 6 -14.851 14.479 11.612 1.00 0.00 C ATOM 140 CG GLU A 6 -15.468 13.106 11.917 1.00 0.00 C ATOM 141 CD GLU A 6 -16.999 13.205 12.049 1.00 0.00 C ATOM 142 OE1 GLU A 6 -17.507 13.373 13.187 1.00 0.00 O ATOM 143 OE2 GLU A 6 -17.712 13.106 11.021 1.00 0.00 O ATOM 0 H GLU A 6 -13.088 16.404 10.854 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.995 13.824 12.356 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.137 15.183 12.394 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.262 14.858 10.676 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.213 12.404 11.123 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.045 12.710 12.840 1.00 0.00 H new ATOM 150 N TYR A 7 -11.427 13.678 10.206 1.00 0.00 N ATOM 151 CA TYR A 7 -10.676 13.725 8.971 1.00 0.00 C ATOM 152 C TYR A 7 -9.716 12.545 8.860 1.00 0.00 C ATOM 153 O TYR A 7 -8.492 12.655 8.876 1.00 0.00 O ATOM 154 CB TYR A 7 -9.995 15.073 8.974 1.00 0.00 C ATOM 155 CG TYR A 7 -9.623 15.645 7.643 1.00 0.00 C ATOM 156 CD1 TYR A 7 -9.804 17.022 7.469 1.00 0.00 C ATOM 157 CD2 TYR A 7 -9.091 14.843 6.624 1.00 0.00 C ATOM 158 CE1 TYR A 7 -9.401 17.634 6.266 1.00 0.00 C ATOM 159 CE2 TYR A 7 -8.656 15.454 5.432 1.00 0.00 C ATOM 160 CZ TYR A 7 -8.809 16.848 5.248 1.00 0.00 C ATOM 161 OH TYR A 7 -8.405 17.426 4.083 1.00 0.00 O ATOM 0 H TYR A 7 -10.834 13.619 11.034 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.308 13.628 8.088 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -10.651 15.783 9.477 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.089 14.994 9.575 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -10.251 17.613 8.254 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -9.016 13.773 6.751 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.543 18.695 6.121 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -8.204 14.856 4.655 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.020 16.743 3.495 1.00 0.00 H new ATOM 171 N GLU A 8 -10.361 11.401 8.776 1.00 0.00 N ATOM 172 CA GLU A 8 -9.832 10.086 8.410 1.00 0.00 C ATOM 173 C GLU A 8 -11.020 9.114 8.278 1.00 0.00 C ATOM 174 O GLU A 8 -11.306 8.303 9.162 1.00 0.00 O ATOM 175 CB GLU A 8 -8.768 9.607 9.430 1.00 0.00 C ATOM 176 CG GLU A 8 -7.341 9.659 8.858 1.00 0.00 C ATOM 177 CD GLU A 8 -6.273 9.311 9.914 1.00 0.00 C ATOM 178 OE1 GLU A 8 -5.197 9.957 9.902 1.00 0.00 O ATOM 179 OE2 GLU A 8 -6.474 8.384 10.734 1.00 0.00 O ATOM 0 H GLU A 8 -11.360 11.354 8.979 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.313 10.135 7.453 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.821 10.228 10.324 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.996 8.586 9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.262 8.964 8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.147 10.656 8.463 1.00 0.00 H new ATOM 186 N SER A 9 -11.762 9.227 7.172 1.00 0.00 N ATOM 187 CA SER A 9 -12.841 8.272 6.853 1.00 0.00 C ATOM 188 C SER A 9 -12.247 6.914 6.457 1.00 0.00 C ATOM 189 O SER A 9 -11.628 6.791 5.402 1.00 0.00 O ATOM 190 CB SER A 9 -13.753 8.816 5.744 1.00 0.00 C ATOM 191 OG SER A 9 -14.858 9.506 6.307 1.00 0.00 O ATOM 0 H SER A 9 -11.640 9.967 6.481 1.00 0.00 H new ATOM 0 HA SER A 9 -13.453 8.136 7.745 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.189 9.487 5.097 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.108 7.995 5.121 1.00 0.00 H new ATOM 0 HG SER A 9 -15.600 9.513 5.667 1.00 0.00 H new ATOM 197 N VAL A 10 -12.396 5.901 7.313 1.00 0.00 N ATOM 198 CA VAL A 10 -11.795 4.558 7.155 1.00 0.00 C ATOM 199 C VAL A 10 -12.505 3.745 6.061 1.00 0.00 C ATOM 200 O VAL A 10 -13.713 3.886 5.856 1.00 0.00 O ATOM 201 CB VAL A 10 -11.779 3.807 8.507 1.00 0.00 C ATOM 202 CG1 VAL A 10 -11.063 2.453 8.426 1.00 0.00 C ATOM 203 CG2 VAL A 10 -11.064 4.614 9.602 1.00 0.00 C ATOM 0 H VAL A 10 -12.953 5.986 8.163 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.762 4.687 6.831 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.831 3.661 8.752 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.083 1.972 9.404 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.568 1.818 7.698 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.029 2.606 8.118 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -11.075 4.051 10.535 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.032 4.799 9.302 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.576 5.565 9.746 1.00 0.00 H new ATOM 213 N LEU A 11 -11.748 2.892 5.361 1.00 0.00 N ATOM 214 CA LEU A 11 -12.187 2.129 4.182 1.00 0.00 C ATOM 215 C LEU A 11 -11.806 0.642 4.288 1.00 0.00 C ATOM 216 O LEU A 11 -12.618 -0.224 3.965 1.00 0.00 O ATOM 217 CB LEU A 11 -11.566 2.757 2.914 1.00 0.00 C ATOM 218 CG LEU A 11 -12.011 4.200 2.600 1.00 0.00 C ATOM 219 CD1 LEU A 11 -11.220 4.735 1.406 1.00 0.00 C ATOM 220 CD2 LEU A 11 -13.499 4.287 2.260 1.00 0.00 C ATOM 0 H LEU A 11 -10.776 2.706 5.608 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.274 2.177 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.481 2.745 3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.812 2.126 2.060 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.824 4.792 3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.537 5.755 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.156 4.729 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.402 4.104 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.764 5.323 2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.709 3.671 1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.087 3.929 3.105 1.00 0.00 H new ATOM 232 N CYS A 12 -10.598 0.346 4.781 1.00 0.00 N ATOM 233 CA CYS A 12 -10.122 -1.008 5.077 1.00 0.00 C ATOM 234 C CYS A 12 -9.170 -0.996 6.275 1.00 0.00 C ATOM 235 O CYS A 12 -8.356 -0.085 6.421 1.00 0.00 O ATOM 236 CB CYS A 12 -9.434 -1.590 3.835 1.00 0.00 C ATOM 237 SG CYS A 12 -9.117 -3.368 4.041 1.00 0.00 S ATOM 0 H CYS A 12 -9.905 1.064 4.991 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.972 -1.638 5.338 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.060 -1.428 2.958 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.494 -1.067 3.657 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.537 -3.832 2.974 1.00 0.00 H new ATOM 243 N VAL A 13 -9.254 -2.025 7.113 1.00 0.00 N ATOM 244 CA VAL A 13 -8.304 -2.311 8.197 1.00 0.00 C ATOM 245 C VAL A 13 -7.984 -3.807 8.200 1.00 0.00 C ATOM 246 O VAL A 13 -8.896 -4.638 8.213 1.00 0.00 O ATOM 247 CB VAL A 13 -8.846 -1.847 9.568 1.00 0.00 C ATOM 248 CG1 VAL A 13 -7.872 -2.156 10.713 1.00 0.00 C ATOM 249 CG2 VAL A 13 -9.102 -0.333 9.586 1.00 0.00 C ATOM 0 H VAL A 13 -10.009 -2.709 7.059 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.387 -1.749 8.021 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.776 -2.397 9.715 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.297 -1.811 11.656 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.700 -3.231 10.764 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.926 -1.645 10.534 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.483 -0.040 10.564 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.170 0.196 9.386 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.835 -0.079 8.821 1.00 0.00 H new ATOM 259 N LYS A 14 -6.690 -4.148 8.207 1.00 0.00 N ATOM 260 CA LYS A 14 -6.167 -5.522 8.352 1.00 0.00 C ATOM 261 C LYS A 14 -5.067 -5.566 9.427 1.00 0.00 C ATOM 262 O LYS A 14 -4.214 -4.676 9.441 1.00 0.00 O ATOM 263 CB LYS A 14 -5.639 -6.077 7.010 1.00 0.00 C ATOM 264 CG LYS A 14 -6.683 -6.187 5.887 1.00 0.00 C ATOM 265 CD LYS A 14 -7.708 -7.298 6.141 1.00 0.00 C ATOM 266 CE LYS A 14 -8.683 -7.386 4.965 1.00 0.00 C ATOM 267 NZ LYS A 14 -9.572 -8.565 5.093 1.00 0.00 N ATOM 0 H LYS A 14 -5.948 -3.455 8.109 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.993 -6.160 8.667 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.826 -5.437 6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.214 -7.065 7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.203 -5.235 5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.175 -6.376 4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.198 -8.252 6.274 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.254 -7.097 7.063 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.284 -6.478 4.918 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.125 -7.448 4.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.277 -8.553 4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.006 -9.435 5.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.058 -8.535 6.012 1.00 0.00 H new ATOM 281 N PRO A 15 -5.038 -6.583 10.309 1.00 0.00 N ATOM 282 CA PRO A 15 -4.094 -6.642 11.431 1.00 0.00 C ATOM 283 C PRO A 15 -2.661 -7.040 11.047 1.00 0.00 C ATOM 284 O PRO A 15 -1.747 -6.838 11.847 1.00 0.00 O ATOM 285 CB PRO A 15 -4.676 -7.688 12.381 1.00 0.00 C ATOM 286 CG PRO A 15 -5.437 -8.630 11.449 1.00 0.00 C ATOM 287 CD PRO A 15 -5.987 -7.686 10.386 1.00 0.00 C ATOM 0 HA PRO A 15 -3.994 -5.647 11.864 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.893 -8.212 12.930 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.336 -7.235 13.121 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.782 -9.387 11.017 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.234 -9.158 11.972 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.080 -8.191 9.424 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.981 -7.329 10.656 1.00 0.00 H new ATOM 295 N ASP A 16 -2.462 -7.636 9.868 1.00 0.00 N ATOM 296 CA ASP A 16 -1.192 -8.237 9.452 1.00 0.00 C ATOM 297 C ASP A 16 -0.809 -7.828 8.023 1.00 0.00 C ATOM 298 O ASP A 16 -1.442 -8.231 7.044 1.00 0.00 O ATOM 299 CB ASP A 16 -1.294 -9.762 9.592 1.00 0.00 C ATOM 300 CG ASP A 16 0.040 -10.450 9.257 1.00 0.00 C ATOM 301 OD1 ASP A 16 1.039 -10.206 9.975 1.00 0.00 O ATOM 302 OD2 ASP A 16 0.088 -11.246 8.290 1.00 0.00 O ATOM 0 H ASP A 16 -3.194 -7.716 9.162 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.396 -7.868 10.099 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.590 -10.016 10.610 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.074 -10.138 8.930 1.00 0.00 H new ATOM 307 N VAL A 17 0.247 -7.024 7.921 1.00 0.00 N ATOM 308 CA VAL A 17 0.900 -6.610 6.673 1.00 0.00 C ATOM 309 C VAL A 17 2.402 -6.394 6.912 1.00 0.00 C ATOM 310 O VAL A 17 2.816 -5.936 7.984 1.00 0.00 O ATOM 311 CB VAL A 17 0.196 -5.376 6.062 1.00 0.00 C ATOM 312 CG1 VAL A 17 0.358 -4.086 6.875 1.00 0.00 C ATOM 313 CG2 VAL A 17 0.661 -5.098 4.629 1.00 0.00 C ATOM 0 H VAL A 17 0.695 -6.622 8.744 1.00 0.00 H new ATOM 0 HA VAL A 17 0.806 -7.405 5.933 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.859 -5.650 6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.167 -3.272 6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.060 -4.229 7.871 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.416 -3.839 6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.140 -4.223 4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.735 -4.913 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.439 -5.961 4.001 1.00 0.00 H new ATOM 323 N SER A 18 3.221 -6.735 5.918 1.00 0.00 N ATOM 324 CA SER A 18 4.691 -6.719 6.007 1.00 0.00 C ATOM 325 C SER A 18 5.302 -5.830 4.927 1.00 0.00 C ATOM 326 O SER A 18 4.874 -5.901 3.776 1.00 0.00 O ATOM 327 CB SER A 18 5.247 -8.141 5.868 1.00 0.00 C ATOM 328 OG SER A 18 4.719 -8.998 6.868 1.00 0.00 O ATOM 0 H SER A 18 2.879 -7.038 5.006 1.00 0.00 H new ATOM 0 HA SER A 18 4.958 -6.314 6.983 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.003 -8.535 4.882 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.334 -8.118 5.942 1.00 0.00 H new ATOM 0 HG SER A 18 5.088 -9.899 6.755 1.00 0.00 H new ATOM 334 N VAL A 19 6.301 -5.017 5.287 1.00 0.00 N ATOM 335 CA VAL A 19 7.010 -4.092 4.381 1.00 0.00 C ATOM 336 C VAL A 19 8.357 -4.655 3.950 1.00 0.00 C ATOM 337 O VAL A 19 9.170 -5.062 4.779 1.00 0.00 O ATOM 338 CB VAL A 19 7.194 -2.695 5.005 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.075 -1.762 4.155 1.00 0.00 C ATOM 340 CG2 VAL A 19 5.844 -1.993 5.173 1.00 0.00 C ATOM 0 H VAL A 19 6.653 -4.979 6.244 1.00 0.00 H new ATOM 0 HA VAL A 19 6.381 -3.984 3.498 1.00 0.00 H new ATOM 0 HB VAL A 19 7.680 -2.874 5.964 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.164 -0.795 4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.065 -2.203 4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.620 -1.626 3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.998 -1.009 5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.368 -1.883 4.199 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.204 -2.587 5.825 1.00 0.00 H new ATOM 350 N TYR A 20 8.628 -4.575 2.651 1.00 0.00 N ATOM 351 CA TYR A 20 9.921 -4.877 2.044 1.00 0.00 C ATOM 352 C TYR A 20 10.272 -3.767 1.048 1.00 0.00 C ATOM 353 O TYR A 20 9.545 -3.521 0.084 1.00 0.00 O ATOM 354 CB TYR A 20 9.928 -6.275 1.390 1.00 0.00 C ATOM 355 CG TYR A 20 8.719 -7.155 1.664 1.00 0.00 C ATOM 356 CD1 TYR A 20 8.683 -7.980 2.804 1.00 0.00 C ATOM 357 CD2 TYR A 20 7.622 -7.124 0.782 1.00 0.00 C ATOM 358 CE1 TYR A 20 7.562 -8.794 3.053 1.00 0.00 C ATOM 359 CE2 TYR A 20 6.498 -7.936 1.029 1.00 0.00 C ATOM 360 CZ TYR A 20 6.471 -8.784 2.158 1.00 0.00 C ATOM 361 OH TYR A 20 5.410 -9.609 2.365 1.00 0.00 O ATOM 0 H TYR A 20 7.928 -4.288 1.967 1.00 0.00 H new ATOM 0 HA TYR A 20 10.688 -4.907 2.818 1.00 0.00 H new ATOM 0 HB2 TYR A 20 10.020 -6.147 0.311 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.819 -6.805 1.726 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.518 -7.988 3.489 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.642 -6.478 -0.083 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.537 -9.426 3.929 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.655 -7.910 0.354 1.00 0.00 H new ATOM 0 HH TYR A 20 5.443 -9.961 3.279 1.00 0.00 H new ATOM 371 N ARG A 21 11.393 -3.077 1.282 1.00 0.00 N ATOM 372 CA ARG A 21 11.919 -2.062 0.352 1.00 0.00 C ATOM 373 C ARG A 21 12.363 -2.733 -0.952 1.00 0.00 C ATOM 374 O ARG A 21 13.070 -3.744 -0.928 1.00 0.00 O ATOM 375 CB ARG A 21 13.054 -1.244 0.993 1.00 0.00 C ATOM 376 CG ARG A 21 12.605 -0.553 2.291 1.00 0.00 C ATOM 377 CD ARG A 21 13.665 0.435 2.785 1.00 0.00 C ATOM 378 NE ARG A 21 13.377 0.853 4.169 1.00 0.00 N ATOM 379 CZ ARG A 21 13.902 1.847 4.853 1.00 0.00 C ATOM 380 NH1 ARG A 21 13.577 1.963 6.104 1.00 0.00 N ATOM 381 NH2 ARG A 21 14.733 2.710 4.336 1.00 0.00 N ATOM 0 H ARG A 21 11.963 -3.203 2.118 1.00 0.00 H new ATOM 0 HA ARG A 21 11.123 -1.355 0.119 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.898 -1.900 1.205 1.00 0.00 H new ATOM 0 HB3 ARG A 21 13.404 -0.493 0.285 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.665 -0.028 2.121 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.416 -1.303 3.059 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.651 -0.026 2.736 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.689 1.308 2.133 1.00 0.00 H new ATOM 0 HE ARG A 21 12.678 0.298 4.662 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.933 1.295 6.528 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.966 2.722 6.664 1.00 0.00 H new ATOM 0 HH21 ARG A 21 15.005 2.632 3.356 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.111 3.462 4.912 1.00 0.00 H new ATOM 395 N ILE A 22 11.908 -2.198 -2.083 1.00 0.00 N ATOM 396 CA ILE A 22 11.994 -2.868 -3.392 1.00 0.00 C ATOM 397 C ILE A 22 13.307 -2.566 -4.147 1.00 0.00 C ATOM 398 O ILE A 22 13.868 -1.475 -3.988 1.00 0.00 O ATOM 399 CB ILE A 22 10.746 -2.576 -4.260 1.00 0.00 C ATOM 400 CG1 ILE A 22 10.604 -1.086 -4.641 1.00 0.00 C ATOM 401 CG2 ILE A 22 9.483 -3.106 -3.558 1.00 0.00 C ATOM 402 CD1 ILE A 22 9.409 -0.819 -5.562 1.00 0.00 C ATOM 0 H ILE A 22 11.465 -1.280 -2.124 1.00 0.00 H new ATOM 0 HA ILE A 22 12.012 -3.938 -3.187 1.00 0.00 H new ATOM 0 HB ILE A 22 10.876 -3.105 -5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.497 -0.492 -3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.518 -0.753 -5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.609 -2.897 -4.175 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.573 -4.182 -3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.371 -2.615 -2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.360 0.245 -5.796 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.526 -1.388 -6.484 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.489 -1.123 -5.062 1.00 0.00 H new ATOM 414 N PRO A 23 13.793 -3.491 -4.999 1.00 0.00 N ATOM 415 CA PRO A 23 14.813 -3.197 -6.011 1.00 0.00 C ATOM 416 C PRO A 23 14.269 -2.243 -7.099 1.00 0.00 C ATOM 417 O PRO A 23 13.052 -2.027 -7.178 1.00 0.00 O ATOM 418 CB PRO A 23 15.177 -4.567 -6.601 1.00 0.00 C ATOM 419 CG PRO A 23 13.864 -5.336 -6.511 1.00 0.00 C ATOM 420 CD PRO A 23 13.298 -4.851 -5.179 1.00 0.00 C ATOM 0 HA PRO A 23 15.679 -2.689 -5.586 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.527 -4.484 -7.630 1.00 0.00 H new ATOM 0 HB3 PRO A 23 15.970 -5.054 -6.033 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.199 -5.106 -7.344 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.022 -6.414 -6.518 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.208 -4.871 -5.189 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.621 -5.495 -4.361 1.00 0.00 H new ATOM 428 N PRO A 24 15.128 -1.695 -7.983 1.00 0.00 N ATOM 429 CA PRO A 24 14.674 -1.022 -9.202 1.00 0.00 C ATOM 430 C PRO A 24 13.797 -1.942 -10.076 1.00 0.00 C ATOM 431 O PRO A 24 13.924 -3.172 -10.050 1.00 0.00 O ATOM 432 CB PRO A 24 15.947 -0.571 -9.928 1.00 0.00 C ATOM 433 CG PRO A 24 17.012 -1.542 -9.420 1.00 0.00 C ATOM 434 CD PRO A 24 16.584 -1.781 -7.974 1.00 0.00 C ATOM 0 HA PRO A 24 14.035 -0.170 -8.970 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.834 -0.630 -11.010 1.00 0.00 H new ATOM 0 HB3 PRO A 24 16.200 0.462 -9.690 1.00 0.00 H new ATOM 0 HG2 PRO A 24 17.025 -2.467 -9.997 1.00 0.00 H new ATOM 0 HG3 PRO A 24 18.013 -1.114 -9.481 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.918 -2.757 -7.621 1.00 0.00 H new ATOM 0 HD3 PRO A 24 17.018 -1.036 -7.307 1.00 0.00 H new ATOM 442 N ARG A 25 12.896 -1.332 -10.854 1.00 0.00 N ATOM 443 CA ARG A 25 11.891 -2.015 -11.693 1.00 0.00 C ATOM 444 C ARG A 25 12.524 -2.919 -12.762 1.00 0.00 C ATOM 445 O ARG A 25 13.655 -2.691 -13.204 1.00 0.00 O ATOM 446 CB ARG A 25 10.977 -0.938 -12.318 1.00 0.00 C ATOM 447 CG ARG A 25 9.675 -1.469 -12.940 1.00 0.00 C ATOM 448 CD ARG A 25 8.859 -0.368 -13.625 1.00 0.00 C ATOM 449 NE ARG A 25 8.391 0.643 -12.654 1.00 0.00 N ATOM 450 CZ ARG A 25 7.175 0.797 -12.157 1.00 0.00 C ATOM 451 NH1 ARG A 25 6.973 1.619 -11.175 1.00 0.00 N ATOM 452 NH2 ARG A 25 6.138 0.154 -12.604 1.00 0.00 N ATOM 0 H ARG A 25 12.840 -0.316 -10.923 1.00 0.00 H new ATOM 0 HA ARG A 25 11.302 -2.686 -11.068 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.723 -0.208 -11.549 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.539 -0.408 -13.087 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.914 -2.245 -13.667 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.069 -1.936 -12.163 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.467 0.115 -14.390 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.002 -0.811 -14.132 1.00 0.00 H new ATOM 0 HE ARG A 25 9.094 1.305 -12.326 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.753 2.148 -10.784 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.035 1.736 -10.793 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.241 -0.507 -13.374 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.221 0.310 -12.185 1.00 0.00 H new ATOM 466 N ALA A 26 11.758 -3.912 -13.216 1.00 0.00 N ATOM 467 CA ALA A 26 12.010 -4.655 -14.450 1.00 0.00 C ATOM 468 C ALA A 26 12.030 -3.748 -15.705 1.00 0.00 C ATOM 469 O ALA A 26 11.882 -2.525 -15.635 1.00 0.00 O ATOM 470 CB ALA A 26 10.918 -5.724 -14.565 1.00 0.00 C ATOM 0 H ALA A 26 10.924 -4.229 -12.722 1.00 0.00 H new ATOM 0 HA ALA A 26 13.001 -5.106 -14.403 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.070 -6.303 -15.476 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.966 -6.387 -13.701 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.940 -5.243 -14.600 1.00 0.00 H new ATOM 476 N SER A 27 12.170 -4.365 -16.878 1.00 0.00 N ATOM 477 CA SER A 27 12.411 -3.721 -18.179 1.00 0.00 C ATOM 478 C SER A 27 11.155 -3.067 -18.774 1.00 0.00 C ATOM 479 O SER A 27 10.575 -3.533 -19.756 1.00 0.00 O ATOM 480 CB SER A 27 13.100 -4.716 -19.128 1.00 0.00 C ATOM 481 OG SER A 27 12.480 -5.999 -19.114 1.00 0.00 O ATOM 0 H SER A 27 12.116 -5.381 -16.956 1.00 0.00 H new ATOM 0 HA SER A 27 13.090 -2.882 -18.026 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.082 -4.318 -20.143 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.147 -4.819 -18.844 1.00 0.00 H new ATOM 0 HG SER A 27 12.950 -6.596 -19.732 1.00 0.00 H new ATOM 487 N ASN A 28 10.722 -1.968 -18.146 1.00 0.00 N ATOM 488 CA ASN A 28 9.447 -1.265 -18.367 1.00 0.00 C ATOM 489 C ASN A 28 8.198 -2.119 -18.040 1.00 0.00 C ATOM 490 O ASN A 28 7.079 -1.758 -18.416 1.00 0.00 O ATOM 491 CB ASN A 28 9.398 -0.610 -19.767 1.00 0.00 C ATOM 492 CG ASN A 28 10.657 0.160 -20.131 1.00 0.00 C ATOM 493 OD1 ASN A 28 10.791 1.348 -19.870 1.00 0.00 O ATOM 494 ND2 ASN A 28 11.623 -0.498 -20.735 1.00 0.00 N ATOM 0 H ASN A 28 11.285 -1.516 -17.425 1.00 0.00 H new ATOM 0 HA ASN A 28 9.411 -0.455 -17.639 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.229 -1.385 -20.514 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.545 0.067 -19.811 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.487 -0.018 -20.987 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.508 -1.488 -20.951 1.00 0.00 H new ATOM 501 N ARG A 29 8.378 -3.250 -17.335 1.00 0.00 N ATOM 502 CA ARG A 29 7.311 -4.215 -17.014 1.00 0.00 C ATOM 503 C ARG A 29 6.617 -3.889 -15.697 1.00 0.00 C ATOM 504 O ARG A 29 5.393 -3.759 -15.668 1.00 0.00 O ATOM 505 CB ARG A 29 7.820 -5.663 -16.999 1.00 0.00 C ATOM 506 CG ARG A 29 8.741 -6.012 -18.172 1.00 0.00 C ATOM 507 CD ARG A 29 9.022 -7.508 -18.127 1.00 0.00 C ATOM 508 NE ARG A 29 10.091 -7.868 -19.078 1.00 0.00 N ATOM 509 CZ ARG A 29 10.287 -9.040 -19.657 1.00 0.00 C ATOM 510 NH1 ARG A 29 11.258 -9.194 -20.509 1.00 0.00 N ATOM 511 NH2 ARG A 29 9.535 -10.075 -19.408 1.00 0.00 N ATOM 0 H ARG A 29 9.288 -3.524 -16.965 1.00 0.00 H new ATOM 0 HA ARG A 29 6.578 -4.124 -17.816 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.355 -5.840 -16.066 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.964 -6.338 -17.009 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.271 -5.742 -19.118 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.671 -5.448 -18.106 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.314 -7.798 -17.118 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.114 -8.061 -18.367 1.00 0.00 H new ATOM 0 HE ARG A 29 10.753 -7.129 -19.315 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.870 -8.409 -20.732 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.407 -10.100 -20.954 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.763 -9.997 -18.746 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.718 -10.963 -19.875 1.00 0.00 H new ATOM 525 N GLY A 30 7.392 -3.768 -14.610 1.00 0.00 N ATOM 526 CA GLY A 30 6.854 -3.680 -13.261 1.00 0.00 C ATOM 527 C GLY A 30 7.694 -4.451 -12.248 1.00 0.00 C ATOM 528 O GLY A 30 8.913 -4.585 -12.376 1.00 0.00 O ATOM 0 H GLY A 30 8.410 -3.729 -14.650 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.800 -2.633 -12.962 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.835 -4.067 -13.253 1.00 0.00 H new ATOM 532 N TYR A 31 6.998 -4.955 -11.244 1.00 0.00 N ATOM 533 CA TYR A 31 7.504 -5.731 -10.117 1.00 0.00 C ATOM 534 C TYR A 31 6.911 -7.146 -10.112 1.00 0.00 C ATOM 535 O TYR A 31 5.872 -7.388 -10.718 1.00 0.00 O ATOM 536 CB TYR A 31 7.132 -4.950 -8.855 1.00 0.00 C ATOM 537 CG TYR A 31 7.506 -3.476 -8.890 1.00 0.00 C ATOM 538 CD1 TYR A 31 8.828 -3.097 -9.196 1.00 0.00 C ATOM 539 CD2 TYR A 31 6.534 -2.485 -8.637 1.00 0.00 C ATOM 540 CE1 TYR A 31 9.206 -1.744 -9.144 1.00 0.00 C ATOM 541 CE2 TYR A 31 6.908 -1.129 -8.605 1.00 0.00 C ATOM 542 CZ TYR A 31 8.248 -0.753 -8.841 1.00 0.00 C ATOM 543 OH TYR A 31 8.616 0.557 -8.774 1.00 0.00 O ATOM 0 H TYR A 31 5.988 -4.825 -11.188 1.00 0.00 H new ATOM 0 HA TYR A 31 8.584 -5.864 -10.178 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.057 -5.035 -8.694 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.620 -5.415 -7.999 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.553 -3.848 -9.471 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.505 -2.767 -8.468 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.231 -1.463 -9.336 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.166 -0.372 -8.399 1.00 0.00 H new ATOM 0 HH TYR A 31 7.834 1.106 -8.556 1.00 0.00 H new ATOM 553 N ARG A 32 7.544 -8.103 -9.428 1.00 0.00 N ATOM 554 CA ARG A 32 7.182 -9.540 -9.492 1.00 0.00 C ATOM 555 C ARG A 32 7.108 -10.248 -8.145 1.00 0.00 C ATOM 556 O ARG A 32 7.107 -11.472 -8.111 1.00 0.00 O ATOM 557 CB ARG A 32 8.049 -10.303 -10.520 1.00 0.00 C ATOM 558 CG ARG A 32 9.579 -10.156 -10.385 1.00 0.00 C ATOM 559 CD ARG A 32 10.116 -8.883 -11.064 1.00 0.00 C ATOM 560 NE ARG A 32 11.589 -8.800 -11.033 1.00 0.00 N ATOM 561 CZ ARG A 32 12.454 -9.233 -11.929 1.00 0.00 C ATOM 562 NH1 ARG A 32 13.718 -9.017 -11.727 1.00 0.00 N ATOM 563 NH2 ARG A 32 12.099 -9.871 -13.009 1.00 0.00 N ATOM 0 H ARG A 32 8.330 -7.911 -8.807 1.00 0.00 H new ATOM 0 HA ARG A 32 6.152 -9.554 -9.849 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.802 -11.363 -10.453 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.763 -9.972 -11.518 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.846 -10.140 -9.328 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.064 -11.029 -10.823 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.776 -8.857 -12.099 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.696 -8.007 -10.569 1.00 0.00 H new ATOM 0 HE ARG A 32 11.990 -8.349 -10.211 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.023 -8.522 -10.889 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.406 -9.343 -12.406 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.113 -10.056 -13.191 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.808 -10.186 -13.672 1.00 0.00 H new ATOM 577 N ALA A 33 7.020 -9.483 -7.057 1.00 0.00 N ATOM 578 CA ALA A 33 7.027 -9.902 -5.652 1.00 0.00 C ATOM 579 C ALA A 33 8.261 -10.716 -5.204 1.00 0.00 C ATOM 580 O ALA A 33 8.938 -10.336 -4.254 1.00 0.00 O ATOM 581 CB ALA A 33 5.696 -10.602 -5.371 1.00 0.00 C ATOM 0 H ALA A 33 6.935 -8.470 -7.141 1.00 0.00 H new ATOM 0 HA ALA A 33 7.124 -9.010 -5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.668 -10.927 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.875 -9.910 -5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.595 -11.468 -6.025 1.00 0.00 H new ATOM 587 N SER A 34 8.612 -11.791 -5.910 1.00 0.00 N ATOM 588 CA SER A 34 9.713 -12.712 -5.588 1.00 0.00 C ATOM 589 C SER A 34 11.111 -12.084 -5.696 1.00 0.00 C ATOM 590 O SER A 34 12.086 -12.646 -5.197 1.00 0.00 O ATOM 591 CB SER A 34 9.641 -13.950 -6.490 1.00 0.00 C ATOM 592 OG SER A 34 8.400 -14.620 -6.318 1.00 0.00 O ATOM 0 H SER A 34 8.117 -12.059 -6.761 1.00 0.00 H new ATOM 0 HA SER A 34 9.576 -12.983 -4.541 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.760 -13.655 -7.533 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.462 -14.627 -6.254 1.00 0.00 H new ATOM 0 HG SER A 34 8.369 -15.407 -6.902 1.00 0.00 H new ATOM 598 N ASP A 35 11.212 -10.910 -6.326 1.00 0.00 N ATOM 599 CA ASP A 35 12.436 -10.100 -6.406 1.00 0.00 C ATOM 600 C ASP A 35 12.630 -9.190 -5.169 1.00 0.00 C ATOM 601 O ASP A 35 13.680 -8.568 -5.005 1.00 0.00 O ATOM 602 CB ASP A 35 12.370 -9.313 -7.726 1.00 0.00 C ATOM 603 CG ASP A 35 13.716 -8.792 -8.256 1.00 0.00 C ATOM 604 OD1 ASP A 35 14.796 -9.308 -7.886 1.00 0.00 O ATOM 605 OD2 ASP A 35 13.667 -7.925 -9.162 1.00 0.00 O ATOM 0 H ASP A 35 10.422 -10.482 -6.809 1.00 0.00 H new ATOM 0 HA ASP A 35 13.316 -10.743 -6.401 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.923 -9.952 -8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.700 -8.464 -7.589 1.00 0.00 H new ATOM 610 N TRP A 36 11.627 -9.103 -4.284 1.00 0.00 N ATOM 611 CA TRP A 36 11.653 -8.344 -3.037 1.00 0.00 C ATOM 612 C TRP A 36 12.103 -9.226 -1.856 1.00 0.00 C ATOM 613 O TRP A 36 12.152 -10.456 -1.936 1.00 0.00 O ATOM 614 CB TRP A 36 10.254 -7.760 -2.765 1.00 0.00 C ATOM 615 CG TRP A 36 9.526 -7.019 -3.855 1.00 0.00 C ATOM 616 CD1 TRP A 36 10.021 -6.571 -5.035 1.00 0.00 C ATOM 617 CD2 TRP A 36 8.124 -6.607 -3.841 1.00 0.00 C ATOM 618 NE1 TRP A 36 9.039 -5.886 -5.728 1.00 0.00 N ATOM 619 CE2 TRP A 36 7.865 -5.841 -5.014 1.00 0.00 C ATOM 620 CE3 TRP A 36 7.048 -6.796 -2.946 1.00 0.00 C ATOM 621 CZ2 TRP A 36 6.630 -5.233 -5.256 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.793 -6.204 -3.186 1.00 0.00 C ATOM 623 CH2 TRP A 36 5.589 -5.420 -4.333 1.00 0.00 C ATOM 0 H TRP A 36 10.739 -9.583 -4.429 1.00 0.00 H new ATOM 0 HA TRP A 36 12.374 -7.533 -3.138 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.614 -8.584 -2.449 1.00 0.00 H new ATOM 0 HB3 TRP A 36 10.344 -7.082 -1.916 1.00 0.00 H new ATOM 0 HD1 TRP A 36 11.032 -6.726 -5.382 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.169 -5.468 -6.649 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.190 -7.404 -2.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.479 -4.629 -6.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.985 -6.353 -2.486 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.628 -4.959 -4.506 1.00 0.00 H new ATOM 634 N LYS A 37 12.375 -8.589 -0.713 1.00 0.00 N ATOM 635 CA LYS A 37 12.788 -9.218 0.561 1.00 0.00 C ATOM 636 C LYS A 37 11.600 -9.810 1.340 1.00 0.00 C ATOM 637 O LYS A 37 11.432 -9.547 2.528 1.00 0.00 O ATOM 638 CB LYS A 37 13.634 -8.207 1.365 1.00 0.00 C ATOM 639 CG LYS A 37 15.029 -8.023 0.742 1.00 0.00 C ATOM 640 CD LYS A 37 16.095 -8.983 1.302 1.00 0.00 C ATOM 641 CE LYS A 37 16.543 -8.650 2.736 1.00 0.00 C ATOM 642 NZ LYS A 37 17.373 -7.417 2.801 1.00 0.00 N ATOM 0 H LYS A 37 12.313 -7.574 -0.639 1.00 0.00 H new ATOM 0 HA LYS A 37 13.415 -10.085 0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.120 -7.247 1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.736 -8.552 2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.956 -8.166 -0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.357 -6.996 0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.701 -9.999 1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.966 -8.965 0.647 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.664 -8.526 3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.111 -9.488 3.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.663 -7.245 3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.218 -7.536 2.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.819 -6.607 2.457 1.00 0.00 H new ATOM 656 N LEU A 38 10.786 -10.631 0.670 1.00 0.00 N ATOM 657 CA LEU A 38 9.528 -11.198 1.190 1.00 0.00 C ATOM 658 C LEU A 38 9.675 -11.952 2.521 1.00 0.00 C ATOM 659 O LEU A 38 8.756 -11.962 3.341 1.00 0.00 O ATOM 660 CB LEU A 38 8.952 -12.186 0.162 1.00 0.00 C ATOM 661 CG LEU A 38 8.579 -11.601 -1.209 1.00 0.00 C ATOM 662 CD1 LEU A 38 7.872 -12.689 -2.024 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.656 -10.388 -1.100 1.00 0.00 C ATOM 0 H LEU A 38 10.988 -10.933 -0.283 1.00 0.00 H new ATOM 0 HA LEU A 38 8.873 -10.345 1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.680 -12.982 0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.062 -12.646 0.591 1.00 0.00 H new ATOM 0 HG LEU A 38 9.498 -11.269 -1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.599 -12.292 -3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.541 -13.540 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.972 -13.010 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.425 -10.016 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.733 -10.677 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.151 -9.605 -0.526 1.00 0.00 H new ATOM 675 N ASP A 39 10.827 -12.590 2.734 1.00 0.00 N ATOM 676 CA ASP A 39 11.107 -13.395 3.933 1.00 0.00 C ATOM 677 C ASP A 39 11.691 -12.552 5.087 1.00 0.00 C ATOM 678 O ASP A 39 11.859 -13.041 6.205 1.00 0.00 O ATOM 679 CB ASP A 39 12.041 -14.544 3.521 1.00 0.00 C ATOM 680 CG ASP A 39 12.250 -15.586 4.635 1.00 0.00 C ATOM 681 OD1 ASP A 39 11.259 -16.232 5.054 1.00 0.00 O ATOM 682 OD2 ASP A 39 13.413 -15.801 5.056 1.00 0.00 O ATOM 0 H ASP A 39 11.604 -12.564 2.073 1.00 0.00 H new ATOM 0 HA ASP A 39 10.175 -13.800 4.326 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.630 -15.040 2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.008 -14.132 3.232 1.00 0.00 H new ATOM 687 N GLN A 40 12.046 -11.292 4.805 1.00 0.00 N ATOM 688 CA GLN A 40 12.966 -10.468 5.602 1.00 0.00 C ATOM 689 C GLN A 40 12.462 -9.019 5.713 1.00 0.00 C ATOM 690 O GLN A 40 13.065 -8.117 5.115 1.00 0.00 O ATOM 691 CB GLN A 40 14.349 -10.520 4.925 1.00 0.00 C ATOM 692 CG GLN A 40 15.005 -11.895 5.031 1.00 0.00 C ATOM 693 CD GLN A 40 16.084 -12.093 3.973 1.00 0.00 C ATOM 694 OE1 GLN A 40 17.270 -11.895 4.202 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.710 -12.449 2.759 1.00 0.00 N ATOM 0 H GLN A 40 11.688 -10.800 3.986 1.00 0.00 H new ATOM 0 HA GLN A 40 13.028 -10.857 6.618 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.245 -10.252 3.874 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.001 -9.775 5.381 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.443 -12.013 6.022 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.245 -12.669 4.924 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.724 -12.616 2.558 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.407 -12.557 2.022 1.00 0.00 H new ATOM 704 N PRO A 41 11.352 -8.755 6.431 1.00 0.00 N ATOM 705 CA PRO A 41 10.727 -7.445 6.357 1.00 0.00 C ATOM 706 C PRO A 41 11.571 -6.336 6.995 1.00 0.00 C ATOM 707 O PRO A 41 12.248 -6.544 8.006 1.00 0.00 O ATOM 708 CB PRO A 41 9.345 -7.567 7.017 1.00 0.00 C ATOM 709 CG PRO A 41 9.073 -9.071 6.986 1.00 0.00 C ATOM 710 CD PRO A 41 10.470 -9.672 7.138 1.00 0.00 C ATOM 0 HA PRO A 41 10.633 -7.146 5.313 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.350 -7.180 8.036 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.586 -7.009 6.468 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.410 -9.379 7.795 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.600 -9.377 6.053 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.750 -9.759 8.188 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.518 -10.674 6.711 1.00 0.00 H new ATOM 718 N ASP A 42 11.481 -5.128 6.440 1.00 0.00 N ATOM 719 CA ASP A 42 12.023 -3.910 7.057 1.00 0.00 C ATOM 720 C ASP A 42 11.176 -3.472 8.270 1.00 0.00 C ATOM 721 O ASP A 42 11.698 -2.906 9.234 1.00 0.00 O ATOM 722 CB ASP A 42 12.077 -2.809 5.990 1.00 0.00 C ATOM 723 CG ASP A 42 12.749 -1.525 6.503 1.00 0.00 C ATOM 724 OD1 ASP A 42 12.140 -0.437 6.377 1.00 0.00 O ATOM 725 OD2 ASP A 42 13.914 -1.584 6.957 1.00 0.00 O ATOM 0 H ASP A 42 11.027 -4.962 5.542 1.00 0.00 H new ATOM 0 HA ASP A 42 13.028 -4.106 7.432 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.621 -3.177 5.120 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.064 -2.578 5.659 1.00 0.00 H new ATOM 730 N TRP A 43 9.874 -3.774 8.228 1.00 0.00 N ATOM 731 CA TRP A 43 8.887 -3.523 9.282 1.00 0.00 C ATOM 732 C TRP A 43 7.660 -4.440 9.103 1.00 0.00 C ATOM 733 O TRP A 43 7.351 -4.863 7.985 1.00 0.00 O ATOM 734 CB TRP A 43 8.489 -2.040 9.221 1.00 0.00 C ATOM 735 CG TRP A 43 7.342 -1.616 10.082 1.00 0.00 C ATOM 736 CD1 TRP A 43 7.420 -1.067 11.315 1.00 0.00 C ATOM 737 CD2 TRP A 43 5.923 -1.657 9.751 1.00 0.00 C ATOM 738 NE1 TRP A 43 6.151 -0.746 11.758 1.00 0.00 N ATOM 739 CE2 TRP A 43 5.192 -1.059 10.816 1.00 0.00 C ATOM 740 CE3 TRP A 43 5.188 -2.138 8.647 1.00 0.00 C ATOM 741 CZ2 TRP A 43 3.802 -0.889 10.762 1.00 0.00 C ATOM 742 CZ3 TRP A 43 3.793 -1.960 8.580 1.00 0.00 C ATOM 743 CH2 TRP A 43 3.098 -1.341 9.633 1.00 0.00 C ATOM 0 H TRP A 43 9.458 -4.225 7.413 1.00 0.00 H new ATOM 0 HA TRP A 43 9.313 -3.746 10.260 1.00 0.00 H new ATOM 0 HB2 TRP A 43 9.359 -1.443 9.495 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.247 -1.795 8.187 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.333 -0.904 11.868 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.948 -0.330 12.667 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.701 -2.648 7.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.278 -0.416 11.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.252 -2.303 7.711 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.027 -1.213 9.575 1.00 0.00 H new ATOM 754 N THR A 44 6.934 -4.716 10.190 1.00 0.00 N ATOM 755 CA THR A 44 5.635 -5.416 10.180 1.00 0.00 C ATOM 756 C THR A 44 4.608 -4.726 11.075 1.00 0.00 C ATOM 757 O THR A 44 4.942 -4.177 12.132 1.00 0.00 O ATOM 758 CB THR A 44 5.748 -6.888 10.614 1.00 0.00 C ATOM 759 OG1 THR A 44 6.388 -7.006 11.871 1.00 0.00 O ATOM 760 CG2 THR A 44 6.531 -7.722 9.608 1.00 0.00 C ATOM 0 H THR A 44 7.236 -4.454 11.128 1.00 0.00 H new ATOM 0 HA THR A 44 5.302 -5.380 9.143 1.00 0.00 H new ATOM 0 HB THR A 44 4.726 -7.261 10.676 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.444 -7.952 12.122 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.586 -8.754 9.955 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.030 -7.691 8.641 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.539 -7.319 9.507 1.00 0.00 H new ATOM 768 N GLY A 45 3.336 -4.786 10.678 1.00 0.00 N ATOM 769 CA GLY A 45 2.237 -4.234 11.466 1.00 0.00 C ATOM 770 C GLY A 45 0.877 -4.300 10.788 1.00 0.00 C ATOM 771 O GLY A 45 0.525 -5.305 10.174 1.00 0.00 O ATOM 0 H GLY A 45 3.041 -5.218 9.803 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.182 -4.769 12.414 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.462 -3.193 11.700 1.00 0.00 H new ATOM 775 N ARG A 46 0.097 -3.234 10.967 1.00 0.00 N ATOM 776 CA ARG A 46 -1.322 -3.120 10.621 1.00 0.00 C ATOM 777 C ARG A 46 -1.524 -2.226 9.395 1.00 0.00 C ATOM 778 O ARG A 46 -0.876 -1.185 9.263 1.00 0.00 O ATOM 779 CB ARG A 46 -2.091 -2.561 11.832 1.00 0.00 C ATOM 780 CG ARG A 46 -1.947 -3.396 13.119 1.00 0.00 C ATOM 781 CD ARG A 46 -2.665 -2.689 14.278 1.00 0.00 C ATOM 782 NE ARG A 46 -2.903 -3.593 15.424 1.00 0.00 N ATOM 783 CZ ARG A 46 -2.789 -3.308 16.711 1.00 0.00 C ATOM 784 NH1 ARG A 46 -3.293 -4.110 17.603 1.00 0.00 N ATOM 785 NH2 ARG A 46 -2.177 -2.245 17.148 1.00 0.00 N ATOM 0 H ARG A 46 0.459 -2.375 11.382 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.705 -4.109 10.369 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.744 -1.547 12.031 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.148 -2.491 11.575 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.370 -4.389 12.969 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.893 -3.531 13.360 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.069 -1.838 14.607 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.618 -2.294 13.926 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.188 -4.546 15.196 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.776 -4.959 17.310 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.205 -3.890 18.595 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.760 -1.589 16.488 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.115 -2.068 18.151 1.00 0.00 H new ATOM 799 N LEU A 47 -2.463 -2.608 8.536 1.00 0.00 N ATOM 800 CA LEU A 47 -2.985 -1.788 7.443 1.00 0.00 C ATOM 801 C LEU A 47 -4.101 -0.873 7.957 1.00 0.00 C ATOM 802 O LEU A 47 -5.017 -1.337 8.643 1.00 0.00 O ATOM 803 CB LEU A 47 -3.549 -2.712 6.345 1.00 0.00 C ATOM 804 CG LEU A 47 -4.243 -1.986 5.170 1.00 0.00 C ATOM 805 CD1 LEU A 47 -3.225 -1.304 4.256 1.00 0.00 C ATOM 806 CD2 LEU A 47 -5.096 -2.964 4.369 1.00 0.00 C ATOM 0 H LEU A 47 -2.898 -3.529 8.581 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.180 -1.174 7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.734 -3.317 5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.263 -3.398 6.801 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.888 -1.215 5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.747 -0.803 3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.657 -0.571 4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.545 -2.051 3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.578 -2.437 3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.463 -3.757 3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.858 -3.398 5.017 1.00 0.00 H new ATOM 818 N ARG A 48 -4.108 0.373 7.483 1.00 0.00 N ATOM 819 CA ARG A 48 -5.301 1.219 7.396 1.00 0.00 C ATOM 820 C ARG A 48 -5.383 1.846 6.005 1.00 0.00 C ATOM 821 O ARG A 48 -4.410 2.413 5.514 1.00 0.00 O ATOM 822 CB ARG A 48 -5.271 2.277 8.513 1.00 0.00 C ATOM 823 CG ARG A 48 -6.587 3.072 8.604 1.00 0.00 C ATOM 824 CD ARG A 48 -6.539 4.179 9.668 1.00 0.00 C ATOM 825 NE ARG A 48 -6.155 3.675 11.000 1.00 0.00 N ATOM 826 CZ ARG A 48 -6.890 3.029 11.882 1.00 0.00 C ATOM 827 NH1 ARG A 48 -6.340 2.585 12.971 1.00 0.00 N ATOM 828 NH2 ARG A 48 -8.164 2.804 11.707 1.00 0.00 N ATOM 0 H ARG A 48 -3.265 0.834 7.141 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.200 0.619 7.540 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.078 1.788 9.468 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.445 2.966 8.335 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.806 3.516 7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.404 2.388 8.833 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.830 4.946 9.356 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.517 4.657 9.733 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.189 3.851 11.276 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.345 2.737 13.139 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.902 2.084 13.659 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.628 3.133 10.861 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.695 2.299 12.417 1.00 0.00 H new ATOM 842 N ILE A 49 -6.554 1.772 5.386 1.00 0.00 N ATOM 843 CA ILE A 49 -6.931 2.594 4.235 1.00 0.00 C ATOM 844 C ILE A 49 -7.986 3.585 4.712 1.00 0.00 C ATOM 845 O ILE A 49 -8.938 3.219 5.406 1.00 0.00 O ATOM 846 CB ILE A 49 -7.404 1.764 3.026 1.00 0.00 C ATOM 847 CG1 ILE A 49 -6.396 0.642 2.700 1.00 0.00 C ATOM 848 CG2 ILE A 49 -7.601 2.701 1.819 1.00 0.00 C ATOM 849 CD1 ILE A 49 -6.767 -0.175 1.461 1.00 0.00 C ATOM 0 H ILE A 49 -7.288 1.125 5.674 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.055 3.125 3.863 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.353 1.285 3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.410 1.083 2.552 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.321 -0.027 3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.936 2.121 0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.350 3.455 2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.657 3.191 1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.013 -0.945 1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.739 -0.645 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.814 0.482 0.593 1.00 0.00 H new ATOM 861 N THR A 50 -7.787 4.840 4.342 1.00 0.00 N ATOM 862 CA THR A 50 -8.495 6.018 4.849 1.00 0.00 C ATOM 863 C THR A 50 -8.699 7.029 3.718 1.00 0.00 C ATOM 864 O THR A 50 -8.062 6.917 2.676 1.00 0.00 O ATOM 865 CB THR A 50 -7.723 6.651 6.033 1.00 0.00 C ATOM 866 OG1 THR A 50 -6.388 6.203 6.178 1.00 0.00 O ATOM 867 CG2 THR A 50 -8.392 6.288 7.355 1.00 0.00 C ATOM 0 H THR A 50 -7.088 5.084 3.640 1.00 0.00 H new ATOM 0 HA THR A 50 -9.474 5.712 5.219 1.00 0.00 H new ATOM 0 HB THR A 50 -7.730 7.717 5.807 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.962 6.152 5.297 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.839 6.739 8.179 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.416 6.660 7.359 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.399 5.205 7.474 1.00 0.00 H new ATOM 875 N SER A 51 -9.584 8.014 3.874 1.00 0.00 N ATOM 876 CA SER A 51 -9.820 9.072 2.882 1.00 0.00 C ATOM 877 C SER A 51 -10.422 10.317 3.516 1.00 0.00 C ATOM 878 O SER A 51 -11.059 10.234 4.563 1.00 0.00 O ATOM 879 CB SER A 51 -10.740 8.539 1.776 1.00 0.00 C ATOM 880 OG SER A 51 -10.994 9.513 0.775 1.00 0.00 O ATOM 0 H SER A 51 -10.168 8.104 4.705 1.00 0.00 H new ATOM 0 HA SER A 51 -8.859 9.359 2.455 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.285 7.661 1.319 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.684 8.217 2.215 1.00 0.00 H new ATOM 0 HG SER A 51 -10.188 10.051 0.630 1.00 0.00 H new ATOM 886 N LYS A 52 -10.224 11.464 2.865 1.00 0.00 N ATOM 887 CA LYS A 52 -11.108 12.633 2.916 1.00 0.00 C ATOM 888 C LYS A 52 -10.852 13.540 1.703 1.00 0.00 C ATOM 889 O LYS A 52 -9.710 13.863 1.379 1.00 0.00 O ATOM 890 CB LYS A 52 -10.900 13.417 4.227 1.00 0.00 C ATOM 891 CG LYS A 52 -11.790 13.084 5.425 1.00 0.00 C ATOM 892 CD LYS A 52 -13.262 12.781 5.133 1.00 0.00 C ATOM 893 CE LYS A 52 -13.918 12.631 6.501 1.00 0.00 C ATOM 894 NZ LYS A 52 -15.359 12.295 6.414 1.00 0.00 N ATOM 0 H LYS A 52 -9.413 11.612 2.264 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.142 12.288 2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.864 13.279 4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -11.027 14.476 4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.361 12.222 5.936 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.748 13.921 6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.724 13.586 4.561 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.367 11.870 4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.402 11.853 7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.799 13.560 7.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.851 12.655 7.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.766 12.732 5.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.472 11.263 6.362 1.00 0.00 H new ATOM 908 N GLY A 53 -11.932 13.969 1.055 1.00 0.00 N ATOM 909 CA GLY A 53 -11.936 15.054 0.056 1.00 0.00 C ATOM 910 C GLY A 53 -11.288 14.695 -1.287 1.00 0.00 C ATOM 911 O GLY A 53 -10.417 15.423 -1.770 1.00 0.00 O ATOM 0 H GLY A 53 -12.857 13.566 1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.967 15.359 -0.124 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.417 15.916 0.475 1.00 0.00 H new ATOM 915 N LYS A 54 -11.686 13.554 -1.873 1.00 0.00 N ATOM 916 CA LYS A 54 -11.138 12.967 -3.122 1.00 0.00 C ATOM 917 C LYS A 54 -9.639 12.641 -3.045 1.00 0.00 C ATOM 918 O LYS A 54 -8.959 12.516 -4.063 1.00 0.00 O ATOM 919 CB LYS A 54 -11.521 13.798 -4.366 1.00 0.00 C ATOM 920 CG LYS A 54 -13.040 13.953 -4.537 1.00 0.00 C ATOM 921 CD LYS A 54 -13.428 14.702 -5.822 1.00 0.00 C ATOM 922 CE LYS A 54 -12.942 16.159 -5.816 1.00 0.00 C ATOM 923 NZ LYS A 54 -13.383 16.889 -7.035 1.00 0.00 N ATOM 0 H LYS A 54 -12.433 12.984 -1.476 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.621 11.997 -3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.066 14.786 -4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.107 13.323 -5.255 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.501 12.966 -4.546 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.444 14.486 -3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.006 14.184 -6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.512 14.683 -5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.323 16.666 -4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.854 16.180 -5.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.037 17.869 -6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.999 16.419 -7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.422 16.890 -7.082 1.00 0.00 H new ATOM 937 N THR A 55 -9.146 12.460 -1.823 1.00 0.00 N ATOM 938 CA THR A 55 -7.800 11.989 -1.505 1.00 0.00 C ATOM 939 C THR A 55 -7.920 10.798 -0.560 1.00 0.00 C ATOM 940 O THR A 55 -8.590 10.897 0.471 1.00 0.00 O ATOM 941 CB THR A 55 -6.960 13.106 -0.866 1.00 0.00 C ATOM 942 OG1 THR A 55 -6.936 14.254 -1.693 1.00 0.00 O ATOM 943 CG2 THR A 55 -5.513 12.667 -0.682 1.00 0.00 C ATOM 0 H THR A 55 -9.700 12.646 -0.987 1.00 0.00 H new ATOM 0 HA THR A 55 -7.292 11.688 -2.421 1.00 0.00 H new ATOM 0 HB THR A 55 -7.420 13.329 0.097 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.398 14.953 -1.267 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.942 13.477 -0.228 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.478 11.791 -0.034 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.082 12.419 -1.652 1.00 0.00 H new ATOM 951 N ALA A 56 -7.300 9.672 -0.904 1.00 0.00 N ATOM 952 CA ALA A 56 -7.153 8.516 -0.024 1.00 0.00 C ATOM 953 C ALA A 56 -5.759 8.490 0.616 1.00 0.00 C ATOM 954 O ALA A 56 -4.823 9.127 0.134 1.00 0.00 O ATOM 955 CB ALA A 56 -7.496 7.223 -0.771 1.00 0.00 C ATOM 0 H ALA A 56 -6.877 9.535 -1.822 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.865 8.600 0.797 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.381 6.373 -0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.526 7.269 -1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.826 7.106 -1.622 1.00 0.00 H new ATOM 961 N TYR A 57 -5.631 7.741 1.703 1.00 0.00 N ATOM 962 CA TYR A 57 -4.448 7.632 2.543 1.00 0.00 C ATOM 963 C TYR A 57 -4.278 6.162 2.950 1.00 0.00 C ATOM 964 O TYR A 57 -5.078 5.646 3.734 1.00 0.00 O ATOM 965 CB TYR A 57 -4.630 8.535 3.782 1.00 0.00 C ATOM 966 CG TYR A 57 -5.000 9.986 3.506 1.00 0.00 C ATOM 967 CD1 TYR A 57 -4.022 10.872 3.014 1.00 0.00 C ATOM 968 CD2 TYR A 57 -6.309 10.459 3.758 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.346 12.220 2.763 1.00 0.00 C ATOM 970 CE2 TYR A 57 -6.637 11.806 3.505 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.657 12.689 3.006 1.00 0.00 C ATOM 972 OH TYR A 57 -5.977 13.992 2.778 1.00 0.00 O ATOM 0 H TYR A 57 -6.397 7.159 2.041 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.555 7.957 2.009 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.403 8.098 4.414 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.703 8.521 4.356 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.019 10.517 2.828 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.059 9.786 4.145 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.593 12.895 2.385 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.639 12.162 3.693 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.921 14.140 2.997 1.00 0.00 H new ATOM 982 N ILE A 58 -3.250 5.477 2.442 1.00 0.00 N ATOM 983 CA ILE A 58 -2.825 4.179 2.985 1.00 0.00 C ATOM 984 C ILE A 58 -1.858 4.474 4.130 1.00 0.00 C ATOM 985 O ILE A 58 -0.732 4.907 3.882 1.00 0.00 O ATOM 986 CB ILE A 58 -2.204 3.249 1.911 1.00 0.00 C ATOM 987 CG1 ILE A 58 -3.199 2.814 0.808 1.00 0.00 C ATOM 988 CG2 ILE A 58 -1.668 1.966 2.575 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.356 3.821 -0.333 1.00 0.00 C ATOM 0 H ILE A 58 -2.692 5.800 1.651 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.691 3.625 3.348 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.412 3.834 1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.869 1.861 0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.175 2.643 1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.233 1.317 1.815 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.905 2.227 3.309 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.486 1.445 3.072 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.071 3.437 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.718 4.769 0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.392 3.975 -0.817 1.00 0.00 H new ATOM 1001 N LYS A 59 -2.298 4.275 5.377 1.00 0.00 N ATOM 1002 CA LYS A 59 -1.489 4.467 6.589 1.00 0.00 C ATOM 1003 C LYS A 59 -1.111 3.127 7.225 1.00 0.00 C ATOM 1004 O LYS A 59 -1.959 2.258 7.419 1.00 0.00 O ATOM 1005 CB LYS A 59 -2.206 5.409 7.573 1.00 0.00 C ATOM 1006 CG LYS A 59 -2.593 6.741 6.903 1.00 0.00 C ATOM 1007 CD LYS A 59 -2.722 7.896 7.904 1.00 0.00 C ATOM 1008 CE LYS A 59 -3.089 9.190 7.166 1.00 0.00 C ATOM 1009 NZ LYS A 59 -3.153 10.348 8.092 1.00 0.00 N ATOM 0 H LYS A 59 -3.250 3.968 5.578 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.552 4.947 6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.101 4.921 7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.558 5.605 8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.843 6.997 6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.539 6.616 6.376 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.485 7.662 8.646 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.784 8.028 8.443 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.352 9.387 6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.052 9.066 6.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.252 11.226 7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.971 10.241 8.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.281 10.389 8.657 1.00 0.00 H new ATOM 1023 N LEU A 60 0.167 2.954 7.549 1.00 0.00 N ATOM 1024 CA LEU A 60 0.720 1.753 8.190 1.00 0.00 C ATOM 1025 C LEU A 60 0.980 2.011 9.679 1.00 0.00 C ATOM 1026 O LEU A 60 1.601 3.012 10.034 1.00 0.00 O ATOM 1027 CB LEU A 60 1.987 1.318 7.432 1.00 0.00 C ATOM 1028 CG LEU A 60 1.740 0.221 6.381 1.00 0.00 C ATOM 1029 CD1 LEU A 60 0.666 0.568 5.347 1.00 0.00 C ATOM 1030 CD2 LEU A 60 3.041 -0.039 5.626 1.00 0.00 C ATOM 0 H LEU A 60 0.874 3.667 7.369 1.00 0.00 H new ATOM 0 HA LEU A 60 0.002 0.934 8.141 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.420 2.188 6.939 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.723 0.959 8.151 1.00 0.00 H new ATOM 0 HG LEU A 60 1.388 -0.650 6.933 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.556 -0.259 4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.283 0.743 5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.960 1.467 4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.879 -0.815 4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.365 0.878 5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.809 -0.366 6.327 1.00 0.00 H new ATOM 1042 N GLU A 61 0.503 1.121 10.552 1.00 0.00 N ATOM 1043 CA GLU A 61 0.439 1.349 12.007 1.00 0.00 C ATOM 1044 C GLU A 61 0.999 0.178 12.831 1.00 0.00 C ATOM 1045 O GLU A 61 0.883 -0.983 12.439 1.00 0.00 O ATOM 1046 CB GLU A 61 -1.009 1.651 12.423 1.00 0.00 C ATOM 1047 CG GLU A 61 -1.474 3.034 11.941 1.00 0.00 C ATOM 1048 CD GLU A 61 -2.944 3.336 12.290 1.00 0.00 C ATOM 1049 OE1 GLU A 61 -3.572 2.634 13.119 1.00 0.00 O ATOM 1050 OE2 GLU A 61 -3.514 4.282 11.702 1.00 0.00 O ATOM 0 H GLU A 61 0.145 0.209 10.270 1.00 0.00 H new ATOM 0 HA GLU A 61 1.076 2.207 12.222 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.669 0.885 12.016 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.092 1.600 13.509 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.837 3.799 12.385 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.343 3.098 10.861 1.00 0.00 H new ATOM 1057 N ASP A 62 1.607 0.452 13.989 1.00 0.00 N ATOM 1058 CA ASP A 62 2.219 -0.574 14.837 1.00 0.00 C ATOM 1059 C ASP A 62 1.201 -1.574 15.400 1.00 0.00 C ATOM 1060 O ASP A 62 0.097 -1.224 15.823 1.00 0.00 O ATOM 1061 CB ASP A 62 2.991 0.075 15.979 1.00 0.00 C ATOM 1062 CG ASP A 62 3.723 -0.990 16.792 1.00 0.00 C ATOM 1063 OD1 ASP A 62 4.611 -1.668 16.226 1.00 0.00 O ATOM 1064 OD2 ASP A 62 3.291 -1.236 17.938 1.00 0.00 O ATOM 0 H ASP A 62 1.689 1.396 14.366 1.00 0.00 H new ATOM 0 HA ASP A 62 2.901 -1.137 14.199 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.706 0.795 15.581 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.307 0.628 16.623 1.00 0.00 H new ATOM 1069 N LYS A 63 1.636 -2.830 15.477 1.00 0.00 N ATOM 1070 CA LYS A 63 0.865 -3.988 15.941 1.00 0.00 C ATOM 1071 C LYS A 63 0.689 -4.122 17.461 1.00 0.00 C ATOM 1072 O LYS A 63 -0.044 -5.009 17.901 1.00 0.00 O ATOM 1073 CB LYS A 63 1.373 -5.283 15.262 1.00 0.00 C ATOM 1074 CG LYS A 63 2.876 -5.327 14.924 1.00 0.00 C ATOM 1075 CD LYS A 63 3.824 -5.163 16.122 1.00 0.00 C ATOM 1076 CE LYS A 63 5.296 -5.091 15.686 1.00 0.00 C ATOM 1077 NZ LYS A 63 5.627 -3.877 14.894 1.00 0.00 N ATOM 0 H LYS A 63 2.585 -3.084 15.204 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.159 -3.802 15.616 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.143 -6.125 15.915 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.810 -5.431 14.341 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.094 -6.277 14.437 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.092 -4.541 14.201 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.563 -4.257 16.669 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.690 -5.999 16.808 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.930 -5.120 16.572 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.534 -5.975 15.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.644 -3.675 14.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.387 -4.038 13.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.082 -3.068 15.255 1.00 0.00 H new ATOM 1091 N VAL A 64 1.281 -3.229 18.255 1.00 0.00 N ATOM 1092 CA VAL A 64 1.046 -3.117 19.705 1.00 0.00 C ATOM 1093 C VAL A 64 0.426 -1.765 20.064 1.00 0.00 C ATOM 1094 O VAL A 64 -0.597 -1.732 20.748 1.00 0.00 O ATOM 1095 CB VAL A 64 2.343 -3.363 20.508 1.00 0.00 C ATOM 1096 CG1 VAL A 64 2.076 -3.379 22.020 1.00 0.00 C ATOM 1097 CG2 VAL A 64 2.997 -4.703 20.142 1.00 0.00 C ATOM 0 H VAL A 64 1.953 -2.546 17.905 1.00 0.00 H new ATOM 0 HA VAL A 64 0.334 -3.895 19.981 1.00 0.00 H new ATOM 0 HB VAL A 64 3.010 -2.540 20.251 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.011 -3.554 22.553 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.659 -2.420 22.326 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.369 -4.174 22.256 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.906 -4.837 20.729 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.304 -5.517 20.356 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.246 -4.708 19.081 1.00 0.00 H new ATOM 1107 N SER A 65 0.993 -0.661 19.566 1.00 0.00 N ATOM 1108 CA SER A 65 0.662 0.700 20.029 1.00 0.00 C ATOM 1109 C SER A 65 -0.025 1.584 18.977 1.00 0.00 C ATOM 1110 O SER A 65 -0.431 2.705 19.288 1.00 0.00 O ATOM 1111 CB SER A 65 1.927 1.371 20.583 1.00 0.00 C ATOM 1112 OG SER A 65 2.341 0.721 21.776 1.00 0.00 O ATOM 0 H SER A 65 1.697 -0.681 18.828 1.00 0.00 H new ATOM 0 HA SER A 65 -0.082 0.589 20.818 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.725 1.330 19.841 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.732 2.425 20.783 1.00 0.00 H new ATOM 0 HG SER A 65 3.149 1.155 22.121 1.00 0.00 H new ATOM 1118 N GLY A 66 -0.176 1.102 17.737 1.00 0.00 N ATOM 1119 CA GLY A 66 -0.868 1.824 16.654 1.00 0.00 C ATOM 1120 C GLY A 66 -0.075 3.009 16.082 1.00 0.00 C ATOM 1121 O GLY A 66 -0.636 3.872 15.408 1.00 0.00 O ATOM 0 H GLY A 66 0.181 0.190 17.451 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.087 1.124 15.847 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.825 2.188 17.028 1.00 0.00 H new ATOM 1125 N GLU A 67 1.227 3.066 16.367 1.00 0.00 N ATOM 1126 CA GLU A 67 2.145 4.138 15.974 1.00 0.00 C ATOM 1127 C GLU A 67 2.290 4.219 14.450 1.00 0.00 C ATOM 1128 O GLU A 67 2.506 3.195 13.800 1.00 0.00 O ATOM 1129 CB GLU A 67 3.533 3.885 16.585 1.00 0.00 C ATOM 1130 CG GLU A 67 3.498 3.676 18.100 1.00 0.00 C ATOM 1131 CD GLU A 67 4.915 3.721 18.701 1.00 0.00 C ATOM 1132 OE1 GLU A 67 5.618 2.682 18.693 1.00 0.00 O ATOM 1133 OE2 GLU A 67 5.335 4.797 19.194 1.00 0.00 O ATOM 0 H GLU A 67 1.692 2.333 16.902 1.00 0.00 H new ATOM 0 HA GLU A 67 1.732 5.078 16.340 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.975 3.007 16.114 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.182 4.730 16.357 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.880 4.446 18.562 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.034 2.716 18.327 1.00 0.00 H new ATOM 1140 N LEU A 68 2.208 5.419 13.871 1.00 0.00 N ATOM 1141 CA LEU A 68 2.319 5.613 12.421 1.00 0.00 C ATOM 1142 C LEU A 68 3.751 5.320 11.931 1.00 0.00 C ATOM 1143 O LEU A 68 4.695 6.041 12.267 1.00 0.00 O ATOM 1144 CB LEU A 68 1.857 7.040 12.065 1.00 0.00 C ATOM 1145 CG LEU A 68 1.830 7.340 10.552 1.00 0.00 C ATOM 1146 CD1 LEU A 68 0.760 6.526 9.824 1.00 0.00 C ATOM 1147 CD2 LEU A 68 1.524 8.818 10.314 1.00 0.00 C ATOM 0 H LEU A 68 2.063 6.284 14.392 1.00 0.00 H new ATOM 0 HA LEU A 68 1.670 4.905 11.905 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.859 7.198 12.473 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.518 7.756 12.554 1.00 0.00 H new ATOM 0 HG LEU A 68 2.813 7.072 10.164 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.777 6.770 8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.960 5.463 9.956 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.221 6.765 10.235 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.507 9.018 9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.553 9.062 10.744 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.293 9.429 10.786 1.00 0.00 H new ATOM 1159 N PHE A 69 3.903 4.281 11.108 1.00 0.00 N ATOM 1160 CA PHE A 69 5.155 3.927 10.433 1.00 0.00 C ATOM 1161 C PHE A 69 5.371 4.788 9.180 1.00 0.00 C ATOM 1162 O PHE A 69 6.415 5.429 9.034 1.00 0.00 O ATOM 1163 CB PHE A 69 5.136 2.426 10.093 1.00 0.00 C ATOM 1164 CG PHE A 69 6.248 1.981 9.155 1.00 0.00 C ATOM 1165 CD1 PHE A 69 7.585 1.989 9.596 1.00 0.00 C ATOM 1166 CD2 PHE A 69 5.954 1.599 7.831 1.00 0.00 C ATOM 1167 CE1 PHE A 69 8.623 1.621 8.718 1.00 0.00 C ATOM 1168 CE2 PHE A 69 6.994 1.256 6.948 1.00 0.00 C ATOM 1169 CZ PHE A 69 8.327 1.259 7.392 1.00 0.00 C ATOM 0 H PHE A 69 3.138 3.644 10.886 1.00 0.00 H new ATOM 0 HA PHE A 69 5.994 4.127 11.099 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.208 1.855 11.019 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.175 2.180 9.641 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.815 2.278 10.611 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.929 1.569 7.494 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.646 1.617 9.063 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.767 0.990 5.926 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.123 0.984 6.716 1.00 0.00 H new ATOM 1179 N ALA A 70 4.374 4.816 8.290 1.00 0.00 N ATOM 1180 CA ALA A 70 4.401 5.542 7.022 1.00 0.00 C ATOM 1181 C ALA A 70 2.976 5.818 6.505 1.00 0.00 C ATOM 1182 O ALA A 70 2.032 5.114 6.876 1.00 0.00 O ATOM 1183 CB ALA A 70 5.192 4.703 6.008 1.00 0.00 C ATOM 0 H ALA A 70 3.498 4.316 8.440 1.00 0.00 H new ATOM 0 HA ALA A 70 4.881 6.510 7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.226 5.225 5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.207 4.551 6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.705 3.737 5.877 1.00 0.00 H new ATOM 1189 N GLN A 71 2.823 6.810 5.620 1.00 0.00 N ATOM 1190 CA GLN A 71 1.556 7.095 4.932 1.00 0.00 C ATOM 1191 C GLN A 71 1.756 7.430 3.448 1.00 0.00 C ATOM 1192 O GLN A 71 2.657 8.194 3.101 1.00 0.00 O ATOM 1193 CB GLN A 71 0.767 8.182 5.685 1.00 0.00 C ATOM 1194 CG GLN A 71 1.366 9.602 5.645 1.00 0.00 C ATOM 1195 CD GLN A 71 0.846 10.465 4.491 1.00 0.00 C ATOM 1196 OE1 GLN A 71 -0.319 10.437 4.118 1.00 0.00 O ATOM 1197 NE2 GLN A 71 1.676 11.294 3.900 1.00 0.00 N ATOM 0 H GLN A 71 3.579 7.442 5.359 1.00 0.00 H new ATOM 0 HA GLN A 71 0.957 6.184 4.944 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.241 8.223 5.272 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.673 7.878 6.728 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.148 10.104 6.588 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.451 9.526 5.568 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.652 11.335 4.194 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.345 11.897 3.147 1.00 0.00 H new ATOM 1206 N ALA A 72 0.911 6.879 2.576 1.00 0.00 N ATOM 1207 CA ALA A 72 0.896 7.134 1.135 1.00 0.00 C ATOM 1208 C ALA A 72 -0.426 7.814 0.713 1.00 0.00 C ATOM 1209 O ALA A 72 -1.471 7.153 0.719 1.00 0.00 O ATOM 1210 CB ALA A 72 1.144 5.813 0.393 1.00 0.00 C ATOM 0 H ALA A 72 0.191 6.217 2.865 1.00 0.00 H new ATOM 0 HA ALA A 72 1.694 7.828 0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.135 5.992 -0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.113 5.408 0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.361 5.099 0.649 1.00 0.00 H new ATOM 1216 N PRO A 73 -0.408 9.117 0.363 1.00 0.00 N ATOM 1217 CA PRO A 73 -1.572 9.835 -0.150 1.00 0.00 C ATOM 1218 C PRO A 73 -1.800 9.537 -1.643 1.00 0.00 C ATOM 1219 O PRO A 73 -0.851 9.455 -2.425 1.00 0.00 O ATOM 1220 CB PRO A 73 -1.282 11.314 0.114 1.00 0.00 C ATOM 1221 CG PRO A 73 0.238 11.393 -0.015 1.00 0.00 C ATOM 1222 CD PRO A 73 0.713 10.035 0.506 1.00 0.00 C ATOM 0 HA PRO A 73 -2.495 9.525 0.341 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.783 11.959 -0.608 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.620 11.621 1.104 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.545 11.556 -1.048 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.648 12.214 0.573 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.576 9.684 -0.060 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.024 10.107 1.548 1.00 0.00 H new ATOM 1230 N VAL A 74 -3.065 9.400 -2.044 1.00 0.00 N ATOM 1231 CA VAL A 74 -3.511 8.960 -3.377 1.00 0.00 C ATOM 1232 C VAL A 74 -4.628 9.887 -3.867 1.00 0.00 C ATOM 1233 O VAL A 74 -5.597 10.100 -3.145 1.00 0.00 O ATOM 1234 CB VAL A 74 -4.036 7.504 -3.330 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -4.190 6.918 -4.739 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -3.164 6.542 -2.515 1.00 0.00 C ATOM 0 H VAL A 74 -3.848 9.601 -1.422 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.662 9.000 -4.060 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.001 7.587 -2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.560 5.895 -4.669 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.896 7.522 -5.309 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.223 6.920 -5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.605 5.545 -2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.163 6.505 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.103 6.891 -1.484 1.00 0.00 H new ATOM 1246 N GLU A 75 -4.536 10.424 -5.086 1.00 0.00 N ATOM 1247 CA GLU A 75 -5.577 11.311 -5.656 1.00 0.00 C ATOM 1248 C GLU A 75 -6.578 10.574 -6.569 1.00 0.00 C ATOM 1249 O GLU A 75 -7.688 11.054 -6.801 1.00 0.00 O ATOM 1250 CB GLU A 75 -4.911 12.471 -6.412 1.00 0.00 C ATOM 1251 CG GLU A 75 -4.124 13.403 -5.479 1.00 0.00 C ATOM 1252 CD GLU A 75 -3.541 14.598 -6.259 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -4.229 15.639 -6.391 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -2.384 14.509 -6.740 1.00 0.00 O ATOM 0 H GLU A 75 -3.746 10.263 -5.710 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.160 11.696 -4.819 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.239 12.069 -7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.675 13.046 -6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.777 13.766 -4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.317 12.848 -5.000 1.00 0.00 H new ATOM 1261 N GLN A 76 -6.186 9.406 -7.089 1.00 0.00 N ATOM 1262 CA GLN A 76 -6.993 8.497 -7.911 1.00 0.00 C ATOM 1263 C GLN A 76 -6.356 7.097 -7.941 1.00 0.00 C ATOM 1264 O GLN A 76 -5.127 6.986 -7.912 1.00 0.00 O ATOM 1265 CB GLN A 76 -7.172 9.049 -9.345 1.00 0.00 C ATOM 1266 CG GLN A 76 -5.948 9.020 -10.283 1.00 0.00 C ATOM 1267 CD GLN A 76 -4.773 9.888 -9.828 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -4.653 11.055 -10.173 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -3.858 9.353 -9.044 1.00 0.00 N ATOM 0 H GLN A 76 -5.242 9.049 -6.939 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.982 8.420 -7.460 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.974 8.487 -9.823 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.510 10.082 -9.267 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.605 7.990 -10.379 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.260 9.346 -11.275 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.945 8.381 -8.748 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.063 9.911 -8.733 1.00 0.00 H new ATOM 1278 N TYR A 77 -7.168 6.044 -8.062 1.00 0.00 N ATOM 1279 CA TYR A 77 -6.711 4.655 -8.164 1.00 0.00 C ATOM 1280 C TYR A 77 -7.350 3.923 -9.366 1.00 0.00 C ATOM 1281 O TYR A 77 -8.579 3.951 -9.486 1.00 0.00 O ATOM 1282 CB TYR A 77 -7.029 3.910 -6.866 1.00 0.00 C ATOM 1283 CG TYR A 77 -6.473 2.505 -6.868 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -7.315 1.410 -7.129 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -5.093 2.312 -6.699 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -6.779 0.113 -7.229 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -4.549 1.023 -6.844 1.00 0.00 C ATOM 1288 CZ TYR A 77 -5.386 -0.081 -7.106 1.00 0.00 C ATOM 1289 OH TYR A 77 -4.839 -1.318 -7.264 1.00 0.00 O ATOM 0 H TYR A 77 -8.183 6.135 -8.092 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.633 4.670 -8.326 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.617 4.462 -6.021 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.109 3.872 -6.725 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.377 1.565 -7.253 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.453 3.148 -6.459 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.431 -0.731 -7.399 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.483 0.878 -6.754 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.868 -1.264 -7.146 1.00 0.00 H new ATOM 1299 N PRO A 78 -6.567 3.246 -10.233 1.00 0.00 N ATOM 1300 CA PRO A 78 -5.099 3.205 -10.252 1.00 0.00 C ATOM 1301 C PRO A 78 -4.458 4.568 -10.578 1.00 0.00 C ATOM 1302 O PRO A 78 -5.027 5.390 -11.305 1.00 0.00 O ATOM 1303 CB PRO A 78 -4.729 2.130 -11.281 1.00 0.00 C ATOM 1304 CG PRO A 78 -5.920 2.130 -12.236 1.00 0.00 C ATOM 1305 CD PRO A 78 -7.095 2.405 -11.299 1.00 0.00 C ATOM 0 HA PRO A 78 -4.710 2.965 -9.263 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.800 2.371 -11.797 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.590 1.156 -10.812 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.825 2.898 -13.004 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.027 1.176 -12.752 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -7.906 2.906 -11.827 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.501 1.476 -10.899 1.00 0.00 H new ATOM 1313 N GLY A 79 -3.269 4.797 -10.019 1.00 0.00 N ATOM 1314 CA GLY A 79 -2.493 6.039 -10.136 1.00 0.00 C ATOM 1315 C GLY A 79 -1.054 5.914 -9.609 1.00 0.00 C ATOM 1316 O GLY A 79 -0.533 4.811 -9.449 1.00 0.00 O ATOM 0 H GLY A 79 -2.798 4.095 -9.448 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.463 6.343 -11.182 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.005 6.831 -9.589 1.00 0.00 H new ATOM 1320 N ILE A 80 -0.398 7.048 -9.336 1.00 0.00 N ATOM 1321 CA ILE A 80 1.046 7.116 -9.023 1.00 0.00 C ATOM 1322 C ILE A 80 1.445 6.486 -7.676 1.00 0.00 C ATOM 1323 O ILE A 80 2.519 5.898 -7.558 1.00 0.00 O ATOM 1324 CB ILE A 80 1.529 8.584 -9.128 1.00 0.00 C ATOM 1325 CG1 ILE A 80 3.046 8.774 -8.900 1.00 0.00 C ATOM 1326 CG2 ILE A 80 0.791 9.534 -8.161 1.00 0.00 C ATOM 1327 CD1 ILE A 80 3.934 7.997 -9.878 1.00 0.00 C ATOM 0 H ILE A 80 -0.855 7.960 -9.325 1.00 0.00 H new ATOM 0 HA ILE A 80 1.552 6.501 -9.767 1.00 0.00 H new ATOM 0 HB ILE A 80 1.294 8.841 -10.161 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.283 9.835 -8.977 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.290 8.466 -7.883 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.174 10.547 -8.283 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.276 9.521 -8.382 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.953 9.206 -7.134 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.982 8.187 -9.647 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.730 6.930 -9.786 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.723 8.321 -10.897 1.00 0.00 H new ATOM 1339 N ALA A 81 0.597 6.599 -6.653 1.00 0.00 N ATOM 1340 CA ALA A 81 0.944 6.267 -5.266 1.00 0.00 C ATOM 1341 C ALA A 81 0.625 4.825 -4.854 1.00 0.00 C ATOM 1342 O ALA A 81 0.838 4.479 -3.692 1.00 0.00 O ATOM 1343 CB ALA A 81 0.306 7.321 -4.359 1.00 0.00 C ATOM 0 H ALA A 81 -0.362 6.927 -6.763 1.00 0.00 H new ATOM 0 HA ALA A 81 2.028 6.299 -5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.547 7.100 -3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.692 8.307 -4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.776 7.308 -4.491 1.00 0.00 H new ATOM 1349 N VAL A 82 0.152 3.986 -5.781 1.00 0.00 N ATOM 1350 CA VAL A 82 -0.212 2.578 -5.535 1.00 0.00 C ATOM 1351 C VAL A 82 -0.026 1.750 -6.815 1.00 0.00 C ATOM 1352 O VAL A 82 -0.544 2.109 -7.872 1.00 0.00 O ATOM 1353 CB VAL A 82 -1.675 2.434 -5.062 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -1.960 1.006 -4.567 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -2.130 3.403 -3.962 1.00 0.00 C ATOM 0 H VAL A 82 0.006 4.270 -6.750 1.00 0.00 H new ATOM 0 HA VAL A 82 0.446 2.212 -4.747 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.244 2.683 -5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.997 0.934 -4.240 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.785 0.298 -5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.300 0.772 -3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.173 3.207 -3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.512 3.262 -3.075 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.028 4.429 -4.316 1.00 0.00 H new ATOM 1365 N GLU A 83 0.675 0.621 -6.723 1.00 0.00 N ATOM 1366 CA GLU A 83 0.944 -0.313 -7.831 1.00 0.00 C ATOM 1367 C GLU A 83 0.824 -1.785 -7.414 1.00 0.00 C ATOM 1368 O GLU A 83 0.964 -2.134 -6.244 1.00 0.00 O ATOM 1369 CB GLU A 83 2.344 -0.070 -8.426 1.00 0.00 C ATOM 1370 CG GLU A 83 2.341 1.097 -9.410 1.00 0.00 C ATOM 1371 CD GLU A 83 3.657 1.167 -10.196 1.00 0.00 C ATOM 1372 OE1 GLU A 83 3.747 0.578 -11.299 1.00 0.00 O ATOM 1373 OE2 GLU A 83 4.624 1.813 -9.733 1.00 0.00 O ATOM 0 H GLU A 83 1.090 0.314 -5.843 1.00 0.00 H new ATOM 0 HA GLU A 83 0.180 -0.115 -8.583 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.052 0.133 -7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.687 -0.973 -8.932 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.506 0.989 -10.103 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.188 2.031 -8.869 1.00 0.00 H new ATOM 1380 N THR A 84 0.608 -2.655 -8.401 1.00 0.00 N ATOM 1381 CA THR A 84 0.543 -4.120 -8.274 1.00 0.00 C ATOM 1382 C THR A 84 1.816 -4.780 -8.811 1.00 0.00 C ATOM 1383 O THR A 84 2.513 -4.226 -9.667 1.00 0.00 O ATOM 1384 CB THR A 84 -0.684 -4.666 -9.032 1.00 0.00 C ATOM 1385 OG1 THR A 84 -0.672 -4.276 -10.393 1.00 0.00 O ATOM 1386 CG2 THR A 84 -1.987 -4.131 -8.441 1.00 0.00 C ATOM 0 H THR A 84 0.466 -2.346 -9.362 1.00 0.00 H new ATOM 0 HA THR A 84 0.452 -4.360 -7.215 1.00 0.00 H new ATOM 0 HB THR A 84 -0.630 -5.751 -8.940 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.462 -4.640 -10.845 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.832 -4.535 -8.998 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.064 -4.433 -7.396 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.996 -3.043 -8.506 1.00 0.00 H new ATOM 1394 N VAL A 85 2.108 -5.996 -8.347 1.00 0.00 N ATOM 1395 CA VAL A 85 3.107 -6.888 -8.958 1.00 0.00 C ATOM 1396 C VAL A 85 2.498 -7.658 -10.145 1.00 0.00 C ATOM 1397 O VAL A 85 1.302 -7.559 -10.431 1.00 0.00 O ATOM 1398 CB VAL A 85 3.675 -7.861 -7.914 1.00 0.00 C ATOM 1399 CG1 VAL A 85 4.265 -7.096 -6.730 1.00 0.00 C ATOM 1400 CG2 VAL A 85 2.616 -8.843 -7.422 1.00 0.00 C ATOM 0 H VAL A 85 1.654 -6.398 -7.527 1.00 0.00 H new ATOM 0 HA VAL A 85 3.926 -6.275 -9.335 1.00 0.00 H new ATOM 0 HB VAL A 85 4.465 -8.433 -8.401 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.662 -7.803 -6.002 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.067 -6.446 -7.080 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.487 -6.492 -6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.057 -9.514 -6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.793 -8.293 -6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.240 -9.425 -8.264 1.00 0.00 H new ATOM 1410 N THR A 86 3.316 -8.476 -10.804 1.00 0.00 N ATOM 1411 CA THR A 86 2.963 -9.275 -11.991 1.00 0.00 C ATOM 1412 C THR A 86 2.844 -10.777 -11.718 1.00 0.00 C ATOM 1413 O THR A 86 2.157 -11.479 -12.463 1.00 0.00 O ATOM 1414 CB THR A 86 3.997 -9.037 -13.102 1.00 0.00 C ATOM 1415 OG1 THR A 86 5.292 -9.407 -12.680 1.00 0.00 O ATOM 1416 CG2 THR A 86 4.061 -7.560 -13.478 1.00 0.00 C ATOM 0 H THR A 86 4.286 -8.611 -10.519 1.00 0.00 H new ATOM 0 HA THR A 86 1.973 -8.939 -12.300 1.00 0.00 H new ATOM 0 HB THR A 86 3.683 -9.642 -13.953 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.612 -8.769 -12.008 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.800 -7.417 -14.266 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.084 -7.232 -13.833 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.345 -6.974 -12.604 1.00 0.00 H new ATOM 1424 N ASP A 87 3.475 -11.284 -10.652 1.00 0.00 N ATOM 1425 CA ASP A 87 3.506 -12.721 -10.335 1.00 0.00 C ATOM 1426 C ASP A 87 2.350 -13.168 -9.425 1.00 0.00 C ATOM 1427 O ASP A 87 1.717 -14.191 -9.702 1.00 0.00 O ATOM 1428 CB ASP A 87 4.854 -13.080 -9.706 1.00 0.00 C ATOM 1429 CG ASP A 87 5.015 -14.603 -9.560 1.00 0.00 C ATOM 1430 OD1 ASP A 87 5.385 -15.269 -10.557 1.00 0.00 O ATOM 1431 OD2 ASP A 87 4.767 -15.139 -8.454 1.00 0.00 O ATOM 0 H ASP A 87 3.982 -10.708 -9.980 1.00 0.00 H new ATOM 0 HA ASP A 87 3.377 -13.259 -11.274 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.662 -12.684 -10.322 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.938 -12.608 -8.727 1.00 0.00 H new ATOM 1436 N SER A 88 2.055 -12.407 -8.358 1.00 0.00 N ATOM 1437 CA SER A 88 0.968 -12.761 -7.416 1.00 0.00 C ATOM 1438 C SER A 88 0.210 -11.571 -6.826 1.00 0.00 C ATOM 1439 O SER A 88 0.788 -10.704 -6.180 1.00 0.00 O ATOM 1440 CB SER A 88 1.490 -13.654 -6.286 1.00 0.00 C ATOM 1441 OG SER A 88 0.397 -14.095 -5.489 1.00 0.00 O ATOM 0 H SER A 88 2.548 -11.546 -8.123 1.00 0.00 H new ATOM 0 HA SER A 88 0.245 -13.303 -8.025 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.021 -14.511 -6.701 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.203 -13.103 -5.672 1.00 0.00 H new ATOM 0 HG SER A 88 0.729 -14.668 -4.767 1.00 0.00 H new ATOM 1447 N SER A 89 -1.119 -11.565 -6.963 1.00 0.00 N ATOM 1448 CA SER A 89 -2.003 -10.443 -6.594 1.00 0.00 C ATOM 1449 C SER A 89 -2.148 -10.167 -5.082 1.00 0.00 C ATOM 1450 O SER A 89 -3.025 -9.395 -4.692 1.00 0.00 O ATOM 1451 CB SER A 89 -3.387 -10.638 -7.234 1.00 0.00 C ATOM 1452 OG SER A 89 -3.268 -11.004 -8.601 1.00 0.00 O ATOM 0 H SER A 89 -1.630 -12.361 -7.344 1.00 0.00 H new ATOM 0 HA SER A 89 -1.508 -9.555 -6.986 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.936 -11.409 -6.694 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.964 -9.717 -7.149 1.00 0.00 H new ATOM 0 HG SER A 89 -4.161 -11.124 -8.986 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.311 -10.769 -4.218 1.00 0.00 N ATOM 1459 CA ARG A 90 -1.250 -10.506 -2.767 1.00 0.00 C ATOM 1460 C ARG A 90 -0.161 -9.501 -2.347 1.00 0.00 C ATOM 1461 O ARG A 90 0.130 -9.378 -1.157 1.00 0.00 O ATOM 1462 CB ARG A 90 -1.303 -11.815 -1.960 1.00 0.00 C ATOM 1463 CG ARG A 90 0.031 -12.559 -1.881 1.00 0.00 C ATOM 1464 CD ARG A 90 -0.107 -13.884 -1.122 1.00 0.00 C ATOM 1465 NE ARG A 90 1.218 -14.490 -0.902 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.498 -15.738 -0.580 1.00 0.00 C ATOM 1467 NH1 ARG A 90 2.741 -16.095 -0.447 1.00 0.00 N ATOM 1468 NH2 ARG A 90 0.577 -16.640 -0.388 1.00 0.00 N ATOM 0 H ARG A 90 -0.637 -11.474 -4.518 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.158 -9.965 -2.500 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.642 -11.591 -0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.047 -12.474 -2.407 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.401 -12.752 -2.888 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.770 -11.930 -1.385 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.599 -13.713 -0.165 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.739 -14.570 -1.687 1.00 0.00 H new ATOM 0 HE ARG A 90 2.018 -13.867 -1.012 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.486 -15.413 -0.591 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.972 -17.057 -0.198 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.408 -16.392 -0.486 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.841 -17.594 -0.140 1.00 0.00 H new ATOM 1482 N TYR A 91 0.432 -8.783 -3.308 1.00 0.00 N ATOM 1483 CA TYR A 91 1.574 -7.888 -3.116 1.00 0.00 C ATOM 1484 C TYR A 91 1.386 -6.566 -3.882 1.00 0.00 C ATOM 1485 O TYR A 91 0.923 -6.564 -5.028 1.00 0.00 O ATOM 1486 CB TYR A 91 2.846 -8.609 -3.584 1.00 0.00 C ATOM 1487 CG TYR A 91 3.173 -9.898 -2.852 1.00 0.00 C ATOM 1488 CD1 TYR A 91 3.806 -9.836 -1.599 1.00 0.00 C ATOM 1489 CD2 TYR A 91 2.862 -11.152 -3.419 1.00 0.00 C ATOM 1490 CE1 TYR A 91 4.102 -11.016 -0.892 1.00 0.00 C ATOM 1491 CE2 TYR A 91 3.200 -12.337 -2.736 1.00 0.00 C ATOM 1492 CZ TYR A 91 3.806 -12.272 -1.464 1.00 0.00 C ATOM 1493 OH TYR A 91 4.069 -13.421 -0.782 1.00 0.00 O ATOM 0 H TYR A 91 0.116 -8.812 -4.277 1.00 0.00 H new ATOM 0 HA TYR A 91 1.658 -7.636 -2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.747 -8.830 -4.647 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.690 -7.927 -3.477 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.067 -8.877 -1.176 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.365 -11.203 -4.376 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.555 -10.961 0.087 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.995 -13.297 -3.187 1.00 0.00 H new ATOM 0 HH TYR A 91 3.997 -13.254 0.181 1.00 0.00 H new ATOM 1503 N PHE A 92 1.770 -5.443 -3.265 1.00 0.00 N ATOM 1504 CA PHE A 92 1.618 -4.087 -3.809 1.00 0.00 C ATOM 1505 C PHE A 92 2.841 -3.221 -3.511 1.00 0.00 C ATOM 1506 O PHE A 92 3.611 -3.517 -2.603 1.00 0.00 O ATOM 1507 CB PHE A 92 0.382 -3.399 -3.208 1.00 0.00 C ATOM 1508 CG PHE A 92 -0.901 -4.171 -3.387 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.660 -4.035 -4.562 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.313 -5.057 -2.379 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.821 -4.809 -4.736 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.483 -5.810 -2.544 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.230 -5.702 -3.731 1.00 0.00 C ATOM 0 H PHE A 92 2.209 -5.452 -2.344 1.00 0.00 H new ATOM 0 HA PHE A 92 1.505 -4.190 -4.888 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.551 -3.238 -2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.269 -2.416 -3.665 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.353 -3.339 -5.328 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.728 -5.158 -1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.399 -4.717 -5.643 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.812 -6.474 -1.759 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.116 -6.304 -3.870 1.00 0.00 H new ATOM 1523 N VAL A 93 2.987 -2.113 -4.229 1.00 0.00 N ATOM 1524 CA VAL A 93 3.914 -1.024 -3.899 1.00 0.00 C ATOM 1525 C VAL A 93 3.102 0.235 -3.631 1.00 0.00 C ATOM 1526 O VAL A 93 2.126 0.478 -4.337 1.00 0.00 O ATOM 1527 CB VAL A 93 4.943 -0.799 -5.022 1.00 0.00 C ATOM 1528 CG1 VAL A 93 5.944 0.316 -4.705 1.00 0.00 C ATOM 1529 CG2 VAL A 93 5.742 -2.076 -5.275 1.00 0.00 C ATOM 0 H VAL A 93 2.452 -1.938 -5.080 1.00 0.00 H new ATOM 0 HA VAL A 93 4.483 -1.289 -3.008 1.00 0.00 H new ATOM 0 HB VAL A 93 4.364 -0.510 -5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.642 0.425 -5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.409 1.254 -4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.495 0.064 -3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.465 -1.901 -6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.268 -2.363 -4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.064 -2.877 -5.570 1.00 0.00 H new ATOM 1539 N ILE A 94 3.492 1.056 -2.653 1.00 0.00 N ATOM 1540 CA ILE A 94 2.890 2.378 -2.442 1.00 0.00 C ATOM 1541 C ILE A 94 3.944 3.477 -2.282 1.00 0.00 C ATOM 1542 O ILE A 94 5.036 3.236 -1.760 1.00 0.00 O ATOM 1543 CB ILE A 94 1.847 2.411 -1.304 1.00 0.00 C ATOM 1544 CG1 ILE A 94 2.390 2.092 0.110 1.00 0.00 C ATOM 1545 CG2 ILE A 94 0.612 1.561 -1.627 1.00 0.00 C ATOM 1546 CD1 ILE A 94 2.548 0.606 0.475 1.00 0.00 C ATOM 0 H ILE A 94 4.230 0.826 -1.987 1.00 0.00 H new ATOM 0 HA ILE A 94 2.336 2.590 -3.356 1.00 0.00 H new ATOM 0 HB ILE A 94 1.551 3.459 -1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.362 2.573 0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.725 2.552 0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.094 1.615 -0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.137 1.938 -2.533 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.913 0.525 -1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.936 0.520 1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.579 0.111 0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.242 0.132 -0.220 1.00 0.00 H new ATOM 1558 N ARG A 95 3.606 4.694 -2.727 1.00 0.00 N ATOM 1559 CA ARG A 95 4.487 5.874 -2.645 1.00 0.00 C ATOM 1560 C ARG A 95 4.255 6.647 -1.346 1.00 0.00 C ATOM 1561 O ARG A 95 3.522 7.639 -1.322 1.00 0.00 O ATOM 1562 CB ARG A 95 4.361 6.753 -3.902 1.00 0.00 C ATOM 1563 CG ARG A 95 5.562 7.703 -4.018 1.00 0.00 C ATOM 1564 CD ARG A 95 5.445 8.617 -5.241 1.00 0.00 C ATOM 1565 NE ARG A 95 6.657 9.445 -5.391 1.00 0.00 N ATOM 1566 CZ ARG A 95 7.059 10.101 -6.462 1.00 0.00 C ATOM 1567 NH1 ARG A 95 8.177 10.762 -6.414 1.00 0.00 N ATOM 1568 NH2 ARG A 95 6.380 10.121 -7.574 1.00 0.00 N ATOM 0 H ARG A 95 2.704 4.893 -3.159 1.00 0.00 H new ATOM 0 HA ARG A 95 5.521 5.530 -2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.302 6.122 -4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.437 7.329 -3.858 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.634 8.310 -3.116 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.481 7.121 -4.085 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.296 8.016 -6.138 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.570 9.259 -5.139 1.00 0.00 H new ATOM 0 HE ARG A 95 7.255 9.519 -4.568 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.729 10.768 -5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.502 11.275 -7.234 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.497 9.615 -7.642 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.731 10.643 -8.377 1.00 0.00 H new ATOM 1582 N ILE A 96 4.867 6.185 -0.260 1.00 0.00 N ATOM 1583 CA ILE A 96 4.792 6.863 1.043 1.00 0.00 C ATOM 1584 C ILE A 96 5.517 8.216 1.006 1.00 0.00 C ATOM 1585 O ILE A 96 6.545 8.367 0.342 1.00 0.00 O ATOM 1586 CB ILE A 96 5.205 5.965 2.229 1.00 0.00 C ATOM 1587 CG1 ILE A 96 6.698 5.557 2.250 1.00 0.00 C ATOM 1588 CG2 ILE A 96 4.322 4.711 2.294 1.00 0.00 C ATOM 1589 CD1 ILE A 96 7.566 6.471 3.121 1.00 0.00 C ATOM 0 H ILE A 96 5.429 5.334 -0.251 1.00 0.00 H new ATOM 0 HA ILE A 96 3.740 7.078 1.232 1.00 0.00 H new ATOM 0 HB ILE A 96 5.054 6.584 3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.782 4.533 2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.084 5.565 1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.630 4.092 3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.280 5.006 2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.428 4.143 1.369 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.600 6.128 3.090 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.511 7.492 2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.205 6.444 4.149 1.00 0.00 H new ATOM 1601 N GLN A 97 4.945 9.216 1.680 1.00 0.00 N ATOM 1602 CA GLN A 97 5.329 10.631 1.601 1.00 0.00 C ATOM 1603 C GLN A 97 5.300 11.305 2.978 1.00 0.00 C ATOM 1604 O GLN A 97 4.509 10.949 3.853 1.00 0.00 O ATOM 1605 CB GLN A 97 4.387 11.369 0.628 1.00 0.00 C ATOM 1606 CG GLN A 97 4.737 11.102 -0.843 1.00 0.00 C ATOM 1607 CD GLN A 97 3.572 11.344 -1.796 1.00 0.00 C ATOM 1608 OE1 GLN A 97 3.220 12.470 -2.124 1.00 0.00 O ATOM 1609 NE2 GLN A 97 2.937 10.298 -2.278 1.00 0.00 N ATOM 0 H GLN A 97 4.169 9.058 2.323 1.00 0.00 H new ATOM 0 HA GLN A 97 6.353 10.683 1.232 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.359 11.058 0.816 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.437 12.441 0.821 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.572 11.741 -1.132 1.00 0.00 H new ATOM 0 HG3 GLN A 97 5.074 10.071 -0.947 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.225 9.357 -2.009 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.156 10.427 -2.921 1.00 0.00 H new ATOM 1618 N ASP A 98 6.131 12.335 3.145 1.00 0.00 N ATOM 1619 CA ASP A 98 6.222 13.136 4.384 1.00 0.00 C ATOM 1620 C ASP A 98 5.365 14.425 4.338 1.00 0.00 C ATOM 1621 O ASP A 98 5.374 15.228 5.272 1.00 0.00 O ATOM 1622 CB ASP A 98 7.705 13.426 4.662 1.00 0.00 C ATOM 1623 CG ASP A 98 8.011 13.919 6.087 1.00 0.00 C ATOM 1624 OD1 ASP A 98 8.860 14.835 6.220 1.00 0.00 O ATOM 1625 OD2 ASP A 98 7.476 13.351 7.070 1.00 0.00 O ATOM 0 H ASP A 98 6.773 12.647 2.417 1.00 0.00 H new ATOM 0 HA ASP A 98 5.802 12.561 5.209 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.279 12.518 4.476 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.054 14.175 3.951 1.00 0.00 H new ATOM 1630 N GLY A 99 4.632 14.642 3.237 1.00 0.00 N ATOM 1631 CA GLY A 99 3.733 15.792 3.029 1.00 0.00 C ATOM 1632 C GLY A 99 4.431 17.080 2.564 1.00 0.00 C ATOM 1633 O GLY A 99 3.828 18.156 2.598 1.00 0.00 O ATOM 0 H GLY A 99 4.647 14.004 2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.979 15.517 2.291 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.207 15.997 3.961 1.00 0.00 H new ATOM 1637 N THR A 100 5.699 16.981 2.149 1.00 0.00 N ATOM 1638 CA THR A 100 6.585 18.118 1.813 1.00 0.00 C ATOM 1639 C THR A 100 7.403 17.899 0.517 1.00 0.00 C ATOM 1640 O THR A 100 8.348 18.633 0.222 1.00 0.00 O ATOM 1641 CB THR A 100 7.450 18.442 3.052 1.00 0.00 C ATOM 1642 OG1 THR A 100 8.061 19.715 2.976 1.00 0.00 O ATOM 1643 CG2 THR A 100 8.537 17.396 3.312 1.00 0.00 C ATOM 0 H THR A 100 6.159 16.078 2.031 1.00 0.00 H new ATOM 0 HA THR A 100 5.976 18.990 1.574 1.00 0.00 H new ATOM 0 HB THR A 100 6.744 18.433 3.883 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.407 19.858 2.070 1.00 0.00 H new ATOM 0 HG21 THR A 100 9.111 17.679 4.195 1.00 0.00 H new ATOM 0 HG22 THR A 100 8.074 16.423 3.477 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.202 17.340 2.450 1.00 0.00 H new ATOM 1651 N GLY A 101 7.055 16.876 -0.277 1.00 0.00 N ATOM 1652 CA GLY A 101 7.752 16.500 -1.523 1.00 0.00 C ATOM 1653 C GLY A 101 8.834 15.419 -1.356 1.00 0.00 C ATOM 1654 O GLY A 101 9.383 14.940 -2.352 1.00 0.00 O ATOM 0 H GLY A 101 6.262 16.270 -0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.014 16.147 -2.243 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.212 17.392 -1.949 1.00 0.00 H new ATOM 1658 N ARG A 102 9.101 14.981 -0.118 1.00 0.00 N ATOM 1659 CA ARG A 102 9.834 13.751 0.207 1.00 0.00 C ATOM 1660 C ARG A 102 8.946 12.563 -0.104 1.00 0.00 C ATOM 1661 O ARG A 102 7.788 12.530 0.322 1.00 0.00 O ATOM 1662 CB ARG A 102 10.188 13.693 1.700 1.00 0.00 C ATOM 1663 CG ARG A 102 11.144 14.800 2.131 1.00 0.00 C ATOM 1664 CD ARG A 102 11.267 14.847 3.659 1.00 0.00 C ATOM 1665 NE ARG A 102 12.154 15.941 4.098 1.00 0.00 N ATOM 1666 CZ ARG A 102 12.064 16.647 5.213 1.00 0.00 C ATOM 1667 NH1 ARG A 102 12.948 17.570 5.466 1.00 0.00 N ATOM 1668 NH2 ARG A 102 11.124 16.475 6.101 1.00 0.00 N ATOM 0 H ARG A 102 8.802 15.491 0.713 1.00 0.00 H new ATOM 0 HA ARG A 102 10.753 13.734 -0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 102 9.272 13.763 2.287 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.637 12.725 1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 102 12.125 14.633 1.687 1.00 0.00 H new ATOM 0 HG3 ARG A 102 10.786 15.761 1.760 1.00 0.00 H new ATOM 0 HD2 ARG A 102 10.279 14.979 4.100 1.00 0.00 H new ATOM 0 HD3 ARG A 102 11.654 13.895 4.023 1.00 0.00 H new ATOM 0 HE ARG A 102 12.923 16.180 3.472 1.00 0.00 H new ATOM 0 HH11 ARG A 102 13.705 17.746 4.806 1.00 0.00 H new ATOM 0 HH12 ARG A 102 12.883 18.117 6.324 1.00 0.00 H new ATOM 0 HH21 ARG A 102 10.407 15.765 5.953 1.00 0.00 H new ATOM 0 HH22 ARG A 102 11.106 17.051 6.943 1.00 0.00 H new ATOM 1682 N SER A 103 9.507 11.579 -0.789 1.00 0.00 N ATOM 1683 CA SER A 103 8.825 10.308 -1.036 1.00 0.00 C ATOM 1684 C SER A 103 9.746 9.087 -1.149 1.00 0.00 C ATOM 1685 O SER A 103 10.938 9.209 -1.443 1.00 0.00 O ATOM 1686 CB SER A 103 7.941 10.418 -2.285 1.00 0.00 C ATOM 1687 OG SER A 103 8.705 10.490 -3.480 1.00 0.00 O ATOM 0 H SER A 103 10.443 11.633 -1.190 1.00 0.00 H new ATOM 0 HA SER A 103 8.219 10.130 -0.148 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.275 9.557 -2.333 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.311 11.304 -2.205 1.00 0.00 H new ATOM 0 HG SER A 103 9.039 9.598 -3.709 1.00 0.00 H new ATOM 1693 N ALA A 104 9.164 7.902 -0.947 1.00 0.00 N ATOM 1694 CA ALA A 104 9.767 6.601 -1.235 1.00 0.00 C ATOM 1695 C ALA A 104 8.706 5.606 -1.737 1.00 0.00 C ATOM 1696 O ALA A 104 7.562 5.627 -1.284 1.00 0.00 O ATOM 1697 CB ALA A 104 10.464 6.078 0.029 1.00 0.00 C ATOM 0 H ALA A 104 8.222 7.821 -0.563 1.00 0.00 H new ATOM 0 HA ALA A 104 10.507 6.713 -2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.916 5.108 -0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.239 6.781 0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.733 5.973 0.831 1.00 0.00 H new ATOM 1703 N PHE A 105 9.089 4.705 -2.642 1.00 0.00 N ATOM 1704 CA PHE A 105 8.269 3.553 -3.030 1.00 0.00 C ATOM 1705 C PHE A 105 8.622 2.349 -2.143 1.00 0.00 C ATOM 1706 O PHE A 105 9.758 1.867 -2.173 1.00 0.00 O ATOM 1707 CB PHE A 105 8.458 3.247 -4.522 1.00 0.00 C ATOM 1708 CG PHE A 105 7.736 4.195 -5.465 1.00 0.00 C ATOM 1709 CD1 PHE A 105 8.425 5.256 -6.087 1.00 0.00 C ATOM 1710 CD2 PHE A 105 6.374 3.991 -5.759 1.00 0.00 C ATOM 1711 CE1 PHE A 105 7.761 6.085 -7.010 1.00 0.00 C ATOM 1712 CE2 PHE A 105 5.713 4.807 -6.694 1.00 0.00 C ATOM 1713 CZ PHE A 105 6.410 5.853 -7.324 1.00 0.00 C ATOM 0 H PHE A 105 9.983 4.753 -3.131 1.00 0.00 H new ATOM 0 HA PHE A 105 7.214 3.781 -2.879 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.523 3.271 -4.751 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.113 2.231 -4.716 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.465 5.433 -5.855 1.00 0.00 H new ATOM 0 HD2 PHE A 105 5.832 3.200 -5.262 1.00 0.00 H new ATOM 0 HE1 PHE A 105 8.290 6.902 -7.478 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.673 4.631 -6.927 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.908 6.478 -8.048 1.00 0.00 H new ATOM 1723 N ILE A 106 7.655 1.863 -1.359 1.00 0.00 N ATOM 1724 CA ILE A 106 7.806 0.689 -0.478 1.00 0.00 C ATOM 1725 C ILE A 106 6.894 -0.450 -0.931 1.00 0.00 C ATOM 1726 O ILE A 106 5.763 -0.206 -1.352 1.00 0.00 O ATOM 1727 CB ILE A 106 7.613 1.032 1.019 1.00 0.00 C ATOM 1728 CG1 ILE A 106 6.154 1.371 1.405 1.00 0.00 C ATOM 1729 CG2 ILE A 106 8.571 2.170 1.412 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.921 1.488 2.918 1.00 0.00 C ATOM 0 H ILE A 106 6.725 2.279 -1.314 1.00 0.00 H new ATOM 0 HA ILE A 106 8.837 0.349 -0.570 1.00 0.00 H new ATOM 0 HB ILE A 106 7.852 0.131 1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.872 2.311 0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.494 0.601 1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.435 2.412 2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.600 1.854 1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.357 3.051 0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.875 1.727 3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.170 0.542 3.399 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.553 2.278 3.323 1.00 0.00 H new ATOM 1742 N GLY A 107 7.371 -1.691 -0.838 1.00 0.00 N ATOM 1743 CA GLY A 107 6.583 -2.885 -1.138 1.00 0.00 C ATOM 1744 C GLY A 107 5.862 -3.381 0.112 1.00 0.00 C ATOM 1745 O GLY A 107 6.438 -3.358 1.200 1.00 0.00 O ATOM 0 H GLY A 107 8.327 -1.897 -0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.856 -2.661 -1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.234 -3.669 -1.524 1.00 0.00 H new ATOM 1749 N ILE A 108 4.623 -3.847 -0.038 1.00 0.00 N ATOM 1750 CA ILE A 108 3.852 -4.543 0.995 1.00 0.00 C ATOM 1751 C ILE A 108 3.310 -5.880 0.488 1.00 0.00 C ATOM 1752 O ILE A 108 2.990 -6.029 -0.692 1.00 0.00 O ATOM 1753 CB ILE A 108 2.723 -3.684 1.612 1.00 0.00 C ATOM 1754 CG1 ILE A 108 1.659 -3.212 0.595 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.336 -2.515 2.393 1.00 0.00 C ATOM 1756 CD1 ILE A 108 0.406 -2.601 1.247 1.00 0.00 C ATOM 0 H ILE A 108 4.109 -3.747 -0.913 1.00 0.00 H new ATOM 0 HA ILE A 108 4.558 -4.740 1.802 1.00 0.00 H new ATOM 0 HB ILE A 108 2.170 -4.326 2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.108 -2.474 -0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.360 -4.058 -0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.540 -1.910 2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.972 -2.903 3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.932 -1.900 1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.295 -2.293 0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.068 -3.343 1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.692 -1.734 1.842 1.00 0.00 H new ATOM 1768 N GLY A 109 3.182 -6.848 1.393 1.00 0.00 N ATOM 1769 CA GLY A 109 2.594 -8.157 1.115 1.00 0.00 C ATOM 1770 C GLY A 109 1.605 -8.616 2.181 1.00 0.00 C ATOM 1771 O GLY A 109 1.761 -8.319 3.371 1.00 0.00 O ATOM 0 H GLY A 109 3.490 -6.742 2.360 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.087 -8.122 0.151 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.392 -8.894 1.029 1.00 0.00 H new ATOM 1775 N PHE A 110 0.593 -9.356 1.730 1.00 0.00 N ATOM 1776 CA PHE A 110 -0.437 -9.981 2.560 1.00 0.00 C ATOM 1777 C PHE A 110 -0.211 -11.493 2.683 1.00 0.00 C ATOM 1778 O PHE A 110 0.407 -12.123 1.821 1.00 0.00 O ATOM 1779 CB PHE A 110 -1.822 -9.657 1.981 1.00 0.00 C ATOM 1780 CG PHE A 110 -2.191 -8.190 2.085 1.00 0.00 C ATOM 1781 CD1 PHE A 110 -1.820 -7.284 1.071 1.00 0.00 C ATOM 1782 CD2 PHE A 110 -2.872 -7.722 3.224 1.00 0.00 C ATOM 1783 CE1 PHE A 110 -2.144 -5.923 1.192 1.00 0.00 C ATOM 1784 CE2 PHE A 110 -3.192 -6.358 3.344 1.00 0.00 C ATOM 1785 CZ PHE A 110 -2.833 -5.462 2.322 1.00 0.00 C ATOM 0 H PHE A 110 0.463 -9.544 0.736 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.378 -9.575 3.570 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.849 -9.957 0.933 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.573 -10.251 2.502 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -1.286 -7.637 0.201 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -3.149 -8.412 4.007 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -1.862 -5.230 0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -3.713 -5.999 4.220 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.089 -4.416 2.408 1.00 0.00 H new ATOM 1795 N THR A 111 -0.755 -12.095 3.745 1.00 0.00 N ATOM 1796 CA THR A 111 -0.666 -13.546 3.994 1.00 0.00 C ATOM 1797 C THR A 111 -1.571 -14.364 3.066 1.00 0.00 C ATOM 1798 O THR A 111 -1.382 -15.573 2.918 1.00 0.00 O ATOM 1799 CB THR A 111 -0.971 -13.842 5.473 1.00 0.00 C ATOM 1800 OG1 THR A 111 -0.527 -15.133 5.837 1.00 0.00 O ATOM 1801 CG2 THR A 111 -2.448 -13.711 5.862 1.00 0.00 C ATOM 0 H THR A 111 -1.274 -11.590 4.464 1.00 0.00 H new ATOM 0 HA THR A 111 0.355 -13.856 3.769 1.00 0.00 H new ATOM 0 HB THR A 111 -0.425 -13.072 6.018 1.00 0.00 H new ATOM 0 HG1 THR A 111 -0.477 -15.699 5.039 1.00 0.00 H new ATOM 0 HG21 THR A 111 -2.567 -13.938 6.921 1.00 0.00 H new ATOM 0 HG22 THR A 111 -2.786 -12.693 5.669 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.043 -14.409 5.273 1.00 0.00 H new ATOM 1809 N ASP A 112 -2.554 -13.716 2.433 1.00 0.00 N ATOM 1810 CA ASP A 112 -3.529 -14.347 1.544 1.00 0.00 C ATOM 1811 C ASP A 112 -4.076 -13.335 0.525 1.00 0.00 C ATOM 1812 O ASP A 112 -4.251 -12.150 0.826 1.00 0.00 O ATOM 1813 CB ASP A 112 -4.668 -14.967 2.370 1.00 0.00 C ATOM 1814 CG ASP A 112 -5.544 -15.894 1.514 1.00 0.00 C ATOM 1815 OD1 ASP A 112 -6.503 -15.398 0.879 1.00 0.00 O ATOM 1816 OD2 ASP A 112 -5.253 -17.112 1.445 1.00 0.00 O ATOM 0 H ASP A 112 -2.696 -12.710 2.529 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.032 -15.141 0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.249 -15.529 3.205 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.283 -14.174 2.796 1.00 0.00 H new ATOM 1821 N ARG A 113 -4.369 -13.808 -0.690 1.00 0.00 N ATOM 1822 CA ARG A 113 -4.896 -12.982 -1.784 1.00 0.00 C ATOM 1823 C ARG A 113 -6.283 -12.400 -1.487 1.00 0.00 C ATOM 1824 O ARG A 113 -6.581 -11.304 -1.950 1.00 0.00 O ATOM 1825 CB ARG A 113 -4.864 -13.824 -3.067 1.00 0.00 C ATOM 1826 CG ARG A 113 -5.159 -12.984 -4.317 1.00 0.00 C ATOM 1827 CD ARG A 113 -5.001 -13.826 -5.587 1.00 0.00 C ATOM 1828 NE ARG A 113 -3.584 -14.146 -5.879 1.00 0.00 N ATOM 1829 CZ ARG A 113 -3.127 -14.779 -6.945 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -1.854 -15.011 -7.084 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -3.916 -15.191 -7.897 1.00 0.00 N ATOM 0 H ARG A 113 -4.246 -14.788 -0.946 1.00 0.00 H new ATOM 0 HA ARG A 113 -4.265 -12.102 -1.908 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -3.885 -14.292 -3.168 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -5.596 -14.628 -2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -6.172 -12.586 -4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -4.483 -12.130 -4.355 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -5.565 -14.752 -5.478 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.431 -13.288 -6.432 1.00 0.00 H new ATOM 0 HE ARG A 113 -2.894 -13.848 -5.190 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -1.198 -14.703 -6.366 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -1.512 -15.501 -7.911 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -4.921 -15.028 -7.833 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.529 -15.677 -8.706 1.00 0.00 H new ATOM 1845 N GLY A 114 -7.095 -13.062 -0.666 1.00 0.00 N ATOM 1846 CA GLY A 114 -8.386 -12.547 -0.190 1.00 0.00 C ATOM 1847 C GLY A 114 -8.282 -11.268 0.660 1.00 0.00 C ATOM 1848 O GLY A 114 -9.165 -10.413 0.592 1.00 0.00 O ATOM 0 H GLY A 114 -6.874 -13.989 -0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.024 -12.346 -1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -8.878 -13.321 0.398 1.00 0.00 H new ATOM 1852 N ASP A 115 -7.185 -11.080 1.403 1.00 0.00 N ATOM 1853 CA ASP A 115 -6.951 -9.858 2.193 1.00 0.00 C ATOM 1854 C ASP A 115 -6.390 -8.718 1.327 1.00 0.00 C ATOM 1855 O ASP A 115 -6.772 -7.558 1.491 1.00 0.00 O ATOM 1856 CB ASP A 115 -6.029 -10.162 3.384 1.00 0.00 C ATOM 1857 CG ASP A 115 -6.712 -11.065 4.424 1.00 0.00 C ATOM 1858 OD1 ASP A 115 -6.161 -12.140 4.756 1.00 0.00 O ATOM 1859 OD2 ASP A 115 -7.796 -10.681 4.927 1.00 0.00 O ATOM 0 H ASP A 115 -6.434 -11.767 1.476 1.00 0.00 H new ATOM 0 HA ASP A 115 -7.912 -9.518 2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.120 -10.645 3.025 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.728 -9.227 3.857 1.00 0.00 H new ATOM 1864 N ALA A 116 -5.561 -9.057 0.339 1.00 0.00 N ATOM 1865 CA ALA A 116 -5.123 -8.144 -0.714 1.00 0.00 C ATOM 1866 C ALA A 116 -6.260 -7.706 -1.658 1.00 0.00 C ATOM 1867 O ALA A 116 -6.254 -6.582 -2.170 1.00 0.00 O ATOM 1868 CB ALA A 116 -4.042 -8.876 -1.489 1.00 0.00 C ATOM 0 H ALA A 116 -5.168 -9.994 0.248 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.758 -7.221 -0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.676 -8.238 -2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.219 -9.124 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.454 -9.792 -1.912 1.00 0.00 H new ATOM 1874 N PHE A 117 -7.264 -8.563 -1.861 1.00 0.00 N ATOM 1875 CA PHE A 117 -8.527 -8.187 -2.499 1.00 0.00 C ATOM 1876 C PHE A 117 -9.213 -7.050 -1.734 1.00 0.00 C ATOM 1877 O PHE A 117 -9.522 -6.021 -2.332 1.00 0.00 O ATOM 1878 CB PHE A 117 -9.442 -9.407 -2.693 1.00 0.00 C ATOM 1879 CG PHE A 117 -9.535 -9.853 -4.141 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -10.733 -9.680 -4.863 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -8.411 -10.408 -4.781 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -10.807 -10.070 -6.213 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -8.485 -10.798 -6.130 1.00 0.00 C ATOM 1884 CZ PHE A 117 -9.683 -10.630 -6.846 1.00 0.00 C ATOM 0 H PHE A 117 -7.222 -9.544 -1.585 1.00 0.00 H new ATOM 0 HA PHE A 117 -8.305 -7.807 -3.496 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.070 -10.233 -2.087 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -10.440 -9.167 -2.327 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -11.596 -9.247 -4.379 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.488 -10.535 -4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -11.727 -9.939 -6.763 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -7.621 -11.227 -6.616 1.00 0.00 H new ATOM 0 HZ PHE A 117 -9.740 -10.931 -7.882 1.00 0.00 H new ATOM 1894 N ASP A 118 -9.361 -7.161 -0.411 1.00 0.00 N ATOM 1895 CA ASP A 118 -9.945 -6.085 0.402 1.00 0.00 C ATOM 1896 C ASP A 118 -9.092 -4.799 0.403 1.00 0.00 C ATOM 1897 O ASP A 118 -9.659 -3.710 0.489 1.00 0.00 O ATOM 1898 CB ASP A 118 -10.194 -6.565 1.840 1.00 0.00 C ATOM 1899 CG ASP A 118 -11.328 -7.597 1.972 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -12.344 -7.511 1.243 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -11.221 -8.467 2.869 1.00 0.00 O ATOM 0 H ASP A 118 -9.085 -7.985 0.123 1.00 0.00 H new ATOM 0 HA ASP A 118 -10.898 -5.830 -0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -9.274 -7.000 2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -10.428 -5.702 2.464 1.00 0.00 H new ATOM 1906 N PHE A 119 -7.764 -4.884 0.242 1.00 0.00 N ATOM 1907 CA PHE A 119 -6.905 -3.710 0.026 1.00 0.00 C ATOM 1908 C PHE A 119 -7.266 -2.978 -1.280 1.00 0.00 C ATOM 1909 O PHE A 119 -7.681 -1.817 -1.249 1.00 0.00 O ATOM 1910 CB PHE A 119 -5.419 -4.120 0.079 1.00 0.00 C ATOM 1911 CG PHE A 119 -4.433 -3.025 -0.303 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -4.049 -2.848 -1.646 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -3.902 -2.173 0.680 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -3.176 -1.806 -2.008 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -3.035 -1.124 0.322 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.673 -0.938 -1.023 1.00 0.00 C ATOM 0 H PHE A 119 -7.255 -5.768 0.258 1.00 0.00 H new ATOM 0 HA PHE A 119 -7.080 -2.998 0.832 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.188 -4.460 1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.269 -4.971 -0.586 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.428 -3.517 -2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.161 -2.324 1.718 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.892 -1.673 -3.042 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -2.647 -0.461 1.082 1.00 0.00 H new ATOM 0 HZ PHE A 119 -2.011 -0.131 -1.299 1.00 0.00 H new ATOM 1926 N ASN A 120 -7.148 -3.647 -2.434 1.00 0.00 N ATOM 1927 CA ASN A 120 -7.296 -2.969 -3.732 1.00 0.00 C ATOM 1928 C ASN A 120 -8.749 -2.661 -4.127 1.00 0.00 C ATOM 1929 O ASN A 120 -9.000 -1.692 -4.851 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.535 -3.711 -4.841 1.00 0.00 C ATOM 1931 CG ASN A 120 -7.244 -4.907 -5.450 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -7.876 -4.821 -6.491 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -7.156 -6.067 -4.853 1.00 0.00 N ATOM 0 H ASN A 120 -6.953 -4.646 -2.498 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.835 -1.989 -3.604 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.312 -3.002 -5.638 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -5.580 -4.047 -4.437 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -7.612 -6.885 -5.258 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -6.631 -6.154 -3.983 1.00 0.00 H new ATOM 1940 N VAL A 121 -9.720 -3.442 -3.649 1.00 0.00 N ATOM 1941 CA VAL A 121 -11.144 -3.183 -3.911 1.00 0.00 C ATOM 1942 C VAL A 121 -11.630 -1.958 -3.130 1.00 0.00 C ATOM 1943 O VAL A 121 -12.355 -1.130 -3.684 1.00 0.00 O ATOM 1944 CB VAL A 121 -11.993 -4.436 -3.627 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -13.504 -4.170 -3.680 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -11.691 -5.532 -4.660 1.00 0.00 C ATOM 0 H VAL A 121 -9.547 -4.266 -3.074 1.00 0.00 H new ATOM 0 HA VAL A 121 -11.265 -2.952 -4.969 1.00 0.00 H new ATOM 0 HB VAL A 121 -11.725 -4.746 -2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -14.044 -5.094 -3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -13.768 -3.419 -2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -13.775 -3.808 -4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -12.299 -6.411 -4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -11.924 -5.164 -5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -10.636 -5.799 -4.609 1.00 0.00 H new ATOM 1956 N SER A 122 -11.162 -1.768 -1.891 1.00 0.00 N ATOM 1957 CA SER A 122 -11.496 -0.589 -1.070 1.00 0.00 C ATOM 1958 C SER A 122 -10.920 0.724 -1.618 1.00 0.00 C ATOM 1959 O SER A 122 -11.391 1.798 -1.243 1.00 0.00 O ATOM 1960 CB SER A 122 -11.036 -0.783 0.378 1.00 0.00 C ATOM 1961 OG SER A 122 -11.640 -1.933 0.937 1.00 0.00 O ATOM 0 H SER A 122 -10.539 -2.427 -1.424 1.00 0.00 H new ATOM 0 HA SER A 122 -12.582 -0.504 -1.108 1.00 0.00 H new ATOM 0 HB2 SER A 122 -9.951 -0.882 0.412 1.00 0.00 H new ATOM 0 HB3 SER A 122 -11.295 0.095 0.969 1.00 0.00 H new ATOM 0 HG SER A 122 -11.143 -2.731 0.659 1.00 0.00 H new ATOM 1967 N LEU A 123 -9.941 0.656 -2.531 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.470 1.798 -3.319 1.00 0.00 C ATOM 1969 C LEU A 123 -10.340 2.011 -4.569 1.00 0.00 C ATOM 1970 O LEU A 123 -10.925 3.082 -4.734 1.00 0.00 O ATOM 1971 CB LEU A 123 -7.979 1.622 -3.664 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.025 1.656 -2.453 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -5.618 1.266 -2.902 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -6.954 3.045 -1.813 1.00 0.00 C ATOM 0 H LEU A 123 -9.447 -0.211 -2.744 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.567 2.704 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -7.851 0.672 -4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.687 2.408 -4.361 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.414 0.954 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -4.943 1.290 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.636 0.260 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -5.270 1.969 -3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.270 3.020 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.595 3.766 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.946 3.339 -1.471 1.00 0.00 H new ATOM 1986 N GLN A 124 -10.481 1.003 -5.437 1.00 0.00 N ATOM 1987 CA GLN A 124 -11.155 1.179 -6.736 1.00 0.00 C ATOM 1988 C GLN A 124 -12.660 1.474 -6.614 1.00 0.00 C ATOM 1989 O GLN A 124 -13.191 2.280 -7.377 1.00 0.00 O ATOM 1990 CB GLN A 124 -10.861 -0.021 -7.654 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.679 -1.282 -7.345 1.00 0.00 C ATOM 1992 CD GLN A 124 -11.019 -2.537 -7.905 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -11.471 -3.151 -8.862 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -9.920 -2.955 -7.316 1.00 0.00 N ATOM 0 H GLN A 124 -10.139 0.057 -5.267 1.00 0.00 H new ATOM 0 HA GLN A 124 -10.737 2.074 -7.197 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -11.050 0.274 -8.686 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -9.801 -0.265 -7.581 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -11.796 -1.384 -6.266 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -12.679 -1.179 -7.766 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -9.543 -2.444 -6.518 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -9.445 -3.791 -7.657 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.343 0.901 -5.617 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.768 1.143 -5.362 1.00 0.00 C ATOM 2005 C ASP A 125 -15.006 2.391 -4.487 1.00 0.00 C ATOM 2006 O ASP A 125 -16.147 2.775 -4.232 1.00 0.00 O ATOM 2007 CB ASP A 125 -15.409 -0.130 -4.781 1.00 0.00 C ATOM 2008 CG ASP A 125 -16.943 -0.044 -4.663 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -17.490 -0.397 -3.592 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -17.613 0.363 -5.643 1.00 0.00 O ATOM 0 H ASP A 125 -12.918 0.249 -4.957 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.259 1.368 -6.309 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -15.148 -0.980 -5.412 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -14.986 -0.323 -3.795 1.00 0.00 H new ATOM 2015 N HIS A 126 -13.938 3.077 -4.069 1.00 0.00 N ATOM 2016 CA HIS A 126 -14.014 4.424 -3.495 1.00 0.00 C ATOM 2017 C HIS A 126 -13.670 5.516 -4.513 1.00 0.00 C ATOM 2018 O HIS A 126 -14.223 6.612 -4.439 1.00 0.00 O ATOM 2019 CB HIS A 126 -13.119 4.487 -2.252 1.00 0.00 C ATOM 2020 CG HIS A 126 -13.192 5.809 -1.535 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -14.255 6.241 -0.736 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -12.222 6.768 -1.545 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -13.892 7.448 -0.268 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -12.684 7.789 -0.745 1.00 0.00 N ATOM 0 H HIS A 126 -12.988 2.710 -4.120 1.00 0.00 H new ATOM 0 HA HIS A 126 -15.045 4.622 -3.201 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -13.407 3.692 -1.564 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -12.087 4.297 -2.545 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.281 6.733 -2.074 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -14.487 8.057 0.397 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -12.191 8.660 -0.548 1.00 0.00 H new ATOM 2032 N PHE A 127 -12.824 5.212 -5.501 1.00 0.00 N ATOM 2033 CA PHE A 127 -12.399 6.155 -6.538 1.00 0.00 C ATOM 2034 C PHE A 127 -13.166 6.084 -7.867 1.00 0.00 C ATOM 2035 O PHE A 127 -12.937 6.959 -8.702 1.00 0.00 O ATOM 2036 CB PHE A 127 -10.889 6.005 -6.773 1.00 0.00 C ATOM 2037 CG PHE A 127 -10.007 6.669 -5.735 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -10.050 8.067 -5.569 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -9.073 5.912 -5.008 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -9.124 8.705 -4.727 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -8.127 6.549 -4.190 1.00 0.00 C ATOM 2042 CZ PHE A 127 -8.150 7.948 -4.058 1.00 0.00 C ATOM 0 H PHE A 127 -12.408 4.286 -5.604 1.00 0.00 H new ATOM 0 HA PHE A 127 -12.642 7.144 -6.149 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -10.646 4.943 -6.807 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -10.647 6.419 -7.752 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -10.796 8.649 -6.090 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -9.083 4.834 -5.079 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -9.162 9.776 -4.595 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -7.385 5.967 -3.664 1.00 0.00 H new ATOM 0 HZ PHE A 127 -7.415 8.442 -3.439 1.00 0.00 H new ATOM 2052 N LYS A 128 -14.084 5.127 -8.094 1.00 0.00 N ATOM 2053 CA LYS A 128 -14.735 4.952 -9.416 1.00 0.00 C ATOM 2054 C LYS A 128 -15.379 6.224 -9.994 1.00 0.00 C ATOM 2055 O LYS A 128 -15.384 6.416 -11.208 1.00 0.00 O ATOM 2056 CB LYS A 128 -15.721 3.764 -9.446 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.079 3.954 -8.745 1.00 0.00 C ATOM 2058 CD LYS A 128 -17.052 3.551 -7.270 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.416 3.816 -6.627 1.00 0.00 C ATOM 2060 NZ LYS A 128 -18.621 2.968 -5.427 1.00 0.00 N ATOM 0 H LYS A 128 -14.395 4.462 -7.385 1.00 0.00 H new ATOM 0 HA LYS A 128 -13.905 4.716 -10.082 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -15.912 3.511 -10.489 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -15.226 2.904 -8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -17.380 4.999 -8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -17.835 3.364 -9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -16.797 2.495 -7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.279 4.113 -6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.491 4.867 -6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.206 3.621 -7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -19.532 3.207 -4.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.624 1.966 -5.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.852 3.136 -4.748 1.00 0.00 H new ATOM 2074 N TRP A 129 -15.884 7.105 -9.126 1.00 0.00 N ATOM 2075 CA TRP A 129 -16.519 8.379 -9.498 1.00 0.00 C ATOM 2076 C TRP A 129 -15.521 9.534 -9.704 1.00 0.00 C ATOM 2077 O TRP A 129 -15.798 10.458 -10.470 1.00 0.00 O ATOM 2078 CB TRP A 129 -17.554 8.747 -8.428 1.00 0.00 C ATOM 2079 CG TRP A 129 -16.994 9.036 -7.064 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -16.526 8.114 -6.192 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -16.816 10.330 -6.399 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -16.009 8.743 -5.081 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -16.201 10.105 -5.129 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -17.108 11.670 -6.738 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -15.898 11.147 -4.241 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -16.827 12.725 -5.845 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -16.232 12.465 -4.597 1.00 0.00 C ATOM 0 H TRP A 129 -15.864 6.951 -8.118 1.00 0.00 H new ATOM 0 HA TRP A 129 -16.998 8.232 -10.466 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -18.108 9.622 -8.768 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -18.270 7.930 -8.343 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -16.554 7.045 -6.344 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -15.541 8.258 -4.316 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -17.554 11.890 -7.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -15.415 10.940 -3.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -17.070 13.740 -6.121 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -16.032 13.277 -3.913 1.00 0.00 H new ATOM 2098 N VAL A 130 -14.351 9.472 -9.059 1.00 0.00 N ATOM 2099 CA VAL A 130 -13.243 10.434 -9.223 1.00 0.00 C ATOM 2100 C VAL A 130 -12.439 10.117 -10.488 1.00 0.00 C ATOM 2101 O VAL A 130 -12.056 11.023 -11.231 1.00 0.00 O ATOM 2102 CB VAL A 130 -12.312 10.424 -7.990 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -11.250 11.528 -8.062 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -13.084 10.614 -6.678 1.00 0.00 C ATOM 0 H VAL A 130 -14.138 8.733 -8.389 1.00 0.00 H new ATOM 0 HA VAL A 130 -13.677 11.429 -9.319 1.00 0.00 H new ATOM 0 HB VAL A 130 -11.835 9.444 -8.002 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -10.618 11.483 -7.175 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -10.637 11.386 -8.952 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -11.739 12.501 -8.110 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -12.387 10.600 -5.840 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -13.607 11.570 -6.699 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -13.808 9.807 -6.561 1.00 0.00 H new ATOM 2114 N LYS A 131 -12.221 8.823 -10.766 1.00 0.00 N ATOM 2115 CA LYS A 131 -11.436 8.300 -11.889 1.00 0.00 C ATOM 2116 C LYS A 131 -12.345 7.824 -13.029 1.00 0.00 C ATOM 2117 O LYS A 131 -12.291 6.679 -13.481 1.00 0.00 O ATOM 2118 CB LYS A 131 -10.448 7.236 -11.383 1.00 0.00 C ATOM 2119 CG LYS A 131 -9.327 7.059 -12.418 1.00 0.00 C ATOM 2120 CD LYS A 131 -8.544 5.763 -12.212 1.00 0.00 C ATOM 2121 CE LYS A 131 -7.766 5.422 -13.484 1.00 0.00 C ATOM 2122 NZ LYS A 131 -6.561 6.271 -13.652 1.00 0.00 N ATOM 0 H LYS A 131 -12.607 8.079 -10.185 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.835 9.099 -12.324 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -10.029 7.538 -10.423 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -10.964 6.290 -11.222 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -9.757 7.066 -13.420 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -8.644 7.906 -12.359 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -7.857 5.871 -11.372 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -9.226 4.950 -11.963 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -7.468 4.374 -13.455 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -8.417 5.544 -14.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -5.978 5.897 -14.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -6.851 7.245 -13.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -6.009 6.268 -12.771 1.00 0.00 H new ATOM 2136 N GLN A 132 -13.203 8.731 -13.486 1.00 0.00 N ATOM 2137 CA GLN A 132 -13.970 8.569 -14.720 1.00 0.00 C ATOM 2138 C GLN A 132 -13.070 8.892 -15.926 1.00 0.00 C ATOM 2139 O GLN A 132 -12.950 10.042 -16.358 1.00 0.00 O ATOM 2140 CB GLN A 132 -15.229 9.443 -14.697 1.00 0.00 C ATOM 2141 CG GLN A 132 -16.321 8.941 -13.739 1.00 0.00 C ATOM 2142 CD GLN A 132 -17.016 7.683 -14.260 1.00 0.00 C ATOM 2143 OE1 GLN A 132 -17.790 7.715 -15.208 1.00 0.00 O ATOM 2144 NE2 GLN A 132 -16.765 6.526 -13.686 1.00 0.00 N ATOM 0 H GLN A 132 -13.389 9.611 -13.005 1.00 0.00 H new ATOM 0 HA GLN A 132 -14.304 7.535 -14.808 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -14.949 10.458 -14.413 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -15.641 9.496 -15.705 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -15.879 8.732 -12.765 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -17.061 9.727 -13.591 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -16.123 6.478 -12.895 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -17.212 5.677 -14.032 1.00 0.00 H new ATOM 2153 N GLU A 133 -12.403 7.857 -16.434 1.00 0.00 N ATOM 2154 CA GLU A 133 -11.409 7.891 -17.529 1.00 0.00 C ATOM 2155 C GLU A 133 -11.611 6.749 -18.546 1.00 0.00 C ATOM 2156 O GLU A 133 -11.794 5.583 -18.126 1.00 0.00 O ATOM 2157 CB GLU A 133 -9.973 7.856 -16.964 1.00 0.00 C ATOM 2158 CG GLU A 133 -9.599 9.090 -16.124 1.00 0.00 C ATOM 2159 CD GLU A 133 -8.079 9.152 -15.855 1.00 0.00 C ATOM 2160 OE1 GLU A 133 -7.598 8.519 -14.881 1.00 0.00 O ATOM 2161 OE2 GLU A 133 -7.348 9.837 -16.613 1.00 0.00 O ATOM 2162 OXT GLU A 133 -11.597 7.035 -19.764 1.00 0.00 O ATOM 0 H GLU A 133 -12.543 6.912 -16.078 1.00 0.00 H new ATOM 0 HA GLU A 133 -11.561 8.829 -18.063 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -9.857 6.963 -16.350 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -9.270 7.767 -17.792 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -9.915 9.995 -16.644 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -10.137 9.063 -15.176 1.00 0.00 H new TER 2169 GLU A 133