USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 719 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 41 THR OG1 : rot -86:sc= 1.24 USER MOD Set 1.2: A 44 MET CE :methyl -178:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0695 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.42) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= -1.1 (180deg=-1.49) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000528) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc=-0.000998 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.394 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 150:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.402 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -138:sc= -0.607 (180deg=-2.21!) USER MOD Single : A 75 THR OG1 : rot -39:sc= 1.15 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 137:sc= 0.11 (180deg=-0.47) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 38:sc= 0.0892 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.869 7.501 -16.444 1.00 0.00 N ATOM 2 CA GLY A 1 -23.433 7.486 -16.649 1.00 0.00 C ATOM 3 C GLY A 1 -23.027 6.659 -17.852 1.00 0.00 C ATOM 4 O GLY A 1 -23.869 6.281 -18.667 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.174 8.463 -16.193 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.348 7.203 -17.318 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.117 6.848 -15.674 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.077 8.508 -16.778 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.946 7.089 -15.758 1.00 0.00 H new ATOM 8 N SER A 2 -21.733 6.378 -17.966 1.00 0.00 N ATOM 9 CA SER A 2 -21.216 5.594 -19.082 1.00 0.00 C ATOM 10 C SER A 2 -21.847 4.205 -19.109 1.00 0.00 C ATOM 11 O SER A 2 -22.120 3.615 -18.063 1.00 0.00 O ATOM 12 CB SER A 2 -19.694 5.474 -18.987 1.00 0.00 C ATOM 13 OG SER A 2 -19.113 5.320 -20.271 1.00 0.00 O ATOM 0 H SER A 2 -21.023 6.681 -17.299 1.00 0.00 H new ATOM 0 HA SER A 2 -21.475 6.109 -20.007 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.286 6.362 -18.504 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.432 4.621 -18.361 1.00 0.00 H new ATOM 0 HG SER A 2 -18.140 5.247 -20.183 1.00 0.00 H new ATOM 19 N SER A 3 -22.075 3.689 -20.312 1.00 0.00 N ATOM 20 CA SER A 3 -22.676 2.371 -20.477 1.00 0.00 C ATOM 21 C SER A 3 -21.730 1.430 -21.216 1.00 0.00 C ATOM 22 O SER A 3 -21.389 1.659 -22.375 1.00 0.00 O ATOM 23 CB SER A 3 -24.000 2.482 -21.237 1.00 0.00 C ATOM 24 OG SER A 3 -24.893 3.363 -20.578 1.00 0.00 O ATOM 0 H SER A 3 -21.853 4.164 -21.187 1.00 0.00 H new ATOM 0 HA SER A 3 -22.867 1.960 -19.486 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.813 2.839 -22.250 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.456 1.496 -21.326 1.00 0.00 H new ATOM 0 HG SER A 3 -25.731 3.418 -21.084 1.00 0.00 H new ATOM 30 N GLY A 4 -21.309 0.368 -20.535 1.00 0.00 N ATOM 31 CA GLY A 4 -20.405 -0.592 -21.141 1.00 0.00 C ATOM 32 C GLY A 4 -18.949 -0.220 -20.948 1.00 0.00 C ATOM 33 O GLY A 4 -18.180 -0.173 -21.909 1.00 0.00 O ATOM 0 H GLY A 4 -21.578 0.156 -19.574 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.585 -1.577 -20.711 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.620 -0.665 -22.207 1.00 0.00 H new ATOM 37 N SER A 5 -18.568 0.047 -19.703 1.00 0.00 N ATOM 38 CA SER A 5 -17.194 0.423 -19.388 1.00 0.00 C ATOM 39 C SER A 5 -16.244 -0.747 -19.623 1.00 0.00 C ATOM 40 O SER A 5 -15.832 -1.426 -18.682 1.00 0.00 O ATOM 41 CB SER A 5 -17.093 0.894 -17.936 1.00 0.00 C ATOM 42 OG SER A 5 -15.935 1.686 -17.736 1.00 0.00 O ATOM 0 H SER A 5 -19.191 0.010 -18.896 1.00 0.00 H new ATOM 0 HA SER A 5 -16.906 1.241 -20.049 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.981 1.470 -17.675 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.066 0.031 -17.271 1.00 0.00 H new ATOM 0 HG SER A 5 -15.894 1.976 -16.801 1.00 0.00 H new ATOM 48 N SER A 6 -15.899 -0.976 -20.886 1.00 0.00 N ATOM 49 CA SER A 6 -15.000 -2.066 -21.247 1.00 0.00 C ATOM 50 C SER A 6 -13.832 -1.552 -22.084 1.00 0.00 C ATOM 51 O SER A 6 -13.998 -1.195 -23.249 1.00 0.00 O ATOM 52 CB SER A 6 -15.758 -3.147 -22.020 1.00 0.00 C ATOM 53 OG SER A 6 -16.387 -4.059 -21.136 1.00 0.00 O ATOM 0 H SER A 6 -16.228 -0.421 -21.676 1.00 0.00 H new ATOM 0 HA SER A 6 -14.605 -2.497 -20.327 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.507 -2.682 -22.662 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.069 -3.684 -22.672 1.00 0.00 H new ATOM 0 HG SER A 6 -16.866 -4.739 -21.654 1.00 0.00 H new ATOM 59 N GLY A 7 -12.648 -1.517 -21.479 1.00 0.00 N ATOM 60 CA GLY A 7 -11.469 -1.046 -22.181 1.00 0.00 C ATOM 61 C GLY A 7 -10.255 -0.955 -21.280 1.00 0.00 C ATOM 62 O GLY A 7 -9.591 -1.958 -21.015 1.00 0.00 O ATOM 0 H GLY A 7 -12.485 -1.807 -20.515 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.252 -1.718 -23.011 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.673 -0.065 -22.610 1.00 0.00 H new ATOM 66 N LYS A 8 -9.960 0.252 -20.807 1.00 0.00 N ATOM 67 CA LYS A 8 -8.816 0.471 -19.929 1.00 0.00 C ATOM 68 C LYS A 8 -9.112 1.572 -18.915 1.00 0.00 C ATOM 69 O LYS A 8 -9.166 2.750 -19.264 1.00 0.00 O ATOM 70 CB LYS A 8 -7.580 0.841 -20.752 1.00 0.00 C ATOM 71 CG LYS A 8 -7.116 -0.266 -21.683 1.00 0.00 C ATOM 72 CD LYS A 8 -6.366 -1.352 -20.929 1.00 0.00 C ATOM 73 CE LYS A 8 -6.295 -2.641 -21.733 1.00 0.00 C ATOM 74 NZ LYS A 8 -5.164 -2.630 -22.700 1.00 0.00 N ATOM 0 H LYS A 8 -10.497 1.093 -21.017 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.622 -0.455 -19.388 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.799 1.732 -21.341 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.766 1.099 -20.074 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.977 -0.702 -22.189 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.471 0.153 -22.455 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.357 -1.008 -20.701 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.860 -1.543 -19.976 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.184 -3.487 -21.054 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.232 -2.785 -22.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.150 -3.526 -23.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.283 -1.838 -23.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.268 -2.518 -22.185 1.00 0.00 H new ATOM 88 N GLU A 9 -9.301 1.178 -17.660 1.00 0.00 N ATOM 89 CA GLU A 9 -9.590 2.132 -16.596 1.00 0.00 C ATOM 90 C GLU A 9 -8.403 2.266 -15.647 1.00 0.00 C ATOM 91 O GLU A 9 -8.107 1.355 -14.875 1.00 0.00 O ATOM 92 CB GLU A 9 -10.834 1.699 -15.816 1.00 0.00 C ATOM 93 CG GLU A 9 -10.708 0.321 -15.187 1.00 0.00 C ATOM 94 CD GLU A 9 -12.049 -0.364 -15.012 1.00 0.00 C ATOM 95 OE1 GLU A 9 -13.047 0.339 -14.751 1.00 0.00 O ATOM 96 OE2 GLU A 9 -12.101 -1.606 -15.138 1.00 0.00 O ATOM 0 H GLU A 9 -9.259 0.206 -17.355 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.777 3.103 -17.055 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.034 2.430 -15.033 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.694 1.706 -16.486 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.065 -0.301 -15.809 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.221 0.412 -14.216 1.00 0.00 H new ATOM 103 N GLU A 10 -7.726 3.409 -15.713 1.00 0.00 N ATOM 104 CA GLU A 10 -6.570 3.662 -14.861 1.00 0.00 C ATOM 105 C GLU A 10 -6.936 4.594 -13.709 1.00 0.00 C ATOM 106 O GLU A 10 -7.202 5.779 -13.914 1.00 0.00 O ATOM 107 CB GLU A 10 -5.429 4.268 -15.679 1.00 0.00 C ATOM 108 CG GLU A 10 -5.697 5.692 -16.136 1.00 0.00 C ATOM 109 CD GLU A 10 -4.935 6.054 -17.396 1.00 0.00 C ATOM 110 OE1 GLU A 10 -5.138 5.378 -18.426 1.00 0.00 O ATOM 111 OE2 GLU A 10 -4.136 7.013 -17.352 1.00 0.00 O ATOM 0 H GLU A 10 -7.958 4.173 -16.347 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.243 2.709 -14.444 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.517 4.253 -15.082 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.248 3.643 -16.553 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.765 5.818 -16.313 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.423 6.383 -15.339 1.00 0.00 H new ATOM 118 N THR A 11 -6.949 4.050 -12.496 1.00 0.00 N ATOM 119 CA THR A 11 -7.283 4.830 -11.312 1.00 0.00 C ATOM 120 C THR A 11 -6.036 5.162 -10.501 1.00 0.00 C ATOM 121 O THR A 11 -5.070 4.400 -10.493 1.00 0.00 O ATOM 122 CB THR A 11 -8.284 4.082 -10.410 1.00 0.00 C ATOM 123 OG1 THR A 11 -9.123 3.238 -11.206 1.00 0.00 O ATOM 124 CG2 THR A 11 -9.141 5.062 -9.624 1.00 0.00 C ATOM 0 H THR A 11 -6.732 3.071 -12.308 1.00 0.00 H new ATOM 0 HA THR A 11 -7.741 5.755 -11.663 1.00 0.00 H new ATOM 0 HB THR A 11 -7.719 3.472 -9.705 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.755 2.765 -10.626 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.840 4.511 -8.995 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.501 5.684 -8.998 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.697 5.695 -10.316 1.00 0.00 H new ATOM 132 N GLU A 12 -6.064 6.303 -9.821 1.00 0.00 N ATOM 133 CA GLU A 12 -4.934 6.735 -9.007 1.00 0.00 C ATOM 134 C GLU A 12 -5.015 6.139 -7.604 1.00 0.00 C ATOM 135 O GLU A 12 -4.678 6.797 -6.619 1.00 0.00 O ATOM 136 CB GLU A 12 -4.890 8.262 -8.923 1.00 0.00 C ATOM 137 CG GLU A 12 -4.112 8.912 -10.055 1.00 0.00 C ATOM 138 CD GLU A 12 -4.740 8.662 -11.412 1.00 0.00 C ATOM 139 OE1 GLU A 12 -4.594 7.537 -11.935 1.00 0.00 O ATOM 140 OE2 GLU A 12 -5.376 9.591 -11.952 1.00 0.00 O ATOM 0 H GLU A 12 -6.857 6.945 -9.817 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.020 6.379 -9.482 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.910 8.647 -8.926 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.443 8.552 -7.972 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.051 9.986 -9.879 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.091 8.530 -10.055 1.00 0.00 H new ATOM 147 N ILE A 13 -5.464 4.892 -7.522 1.00 0.00 N ATOM 148 CA ILE A 13 -5.589 4.208 -6.241 1.00 0.00 C ATOM 149 C ILE A 13 -5.096 2.768 -6.337 1.00 0.00 C ATOM 150 O ILE A 13 -5.239 2.120 -7.374 1.00 0.00 O ATOM 151 CB ILE A 13 -7.046 4.207 -5.743 1.00 0.00 C ATOM 152 CG1 ILE A 13 -7.681 5.583 -5.955 1.00 0.00 C ATOM 153 CG2 ILE A 13 -7.104 3.812 -4.275 1.00 0.00 C ATOM 154 CD1 ILE A 13 -7.256 6.610 -4.929 1.00 0.00 C ATOM 0 H ILE A 13 -5.747 4.334 -8.328 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.971 4.755 -5.529 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.611 3.474 -6.319 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.420 5.945 -6.949 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.766 5.481 -5.928 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.141 3.816 -3.938 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.686 2.813 -4.150 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.527 4.523 -3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.745 7.561 -5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.542 6.270 -3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.175 6.741 -4.971 1.00 0.00 H new ATOM 166 N ILE A 14 -4.517 2.273 -5.248 1.00 0.00 N ATOM 167 CA ILE A 14 -4.005 0.909 -5.208 1.00 0.00 C ATOM 168 C ILE A 14 -4.094 0.330 -3.800 1.00 0.00 C ATOM 169 O ILE A 14 -3.420 0.797 -2.883 1.00 0.00 O ATOM 170 CB ILE A 14 -2.543 0.841 -5.688 1.00 0.00 C ATOM 171 CG1 ILE A 14 -2.269 1.942 -6.714 1.00 0.00 C ATOM 172 CG2 ILE A 14 -2.242 -0.528 -6.278 1.00 0.00 C ATOM 173 CD1 ILE A 14 -0.836 1.976 -7.196 1.00 0.00 C ATOM 0 H ILE A 14 -4.391 2.796 -4.382 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.627 0.319 -5.881 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.887 0.997 -4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.929 1.802 -7.570 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.519 2.908 -6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.205 -0.560 -6.613 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.402 -1.294 -5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.902 -0.712 -7.125 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.715 2.781 -7.921 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.171 2.147 -6.349 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.587 1.024 -7.666 1.00 0.00 H new ATOM 185 N GLU A 15 -4.929 -0.692 -3.638 1.00 0.00 N ATOM 186 CA GLU A 15 -5.104 -1.336 -2.341 1.00 0.00 C ATOM 187 C GLU A 15 -4.354 -2.664 -2.287 1.00 0.00 C ATOM 188 O GLU A 15 -4.557 -3.539 -3.128 1.00 0.00 O ATOM 189 CB GLU A 15 -6.590 -1.565 -2.058 1.00 0.00 C ATOM 190 CG GLU A 15 -6.850 -2.426 -0.833 1.00 0.00 C ATOM 191 CD GLU A 15 -8.177 -3.156 -0.905 1.00 0.00 C ATOM 192 OE1 GLU A 15 -9.212 -2.489 -1.111 1.00 0.00 O ATOM 193 OE2 GLU A 15 -8.180 -4.396 -0.755 1.00 0.00 O ATOM 0 H GLU A 15 -5.494 -1.091 -4.387 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.693 -0.676 -1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.079 -0.600 -1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.048 -2.037 -2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.045 -3.153 -0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.832 -1.798 0.058 1.00 0.00 H new ATOM 200 N GLY A 16 -3.485 -2.806 -1.291 1.00 0.00 N ATOM 201 CA GLY A 16 -2.717 -4.029 -1.146 1.00 0.00 C ATOM 202 C GLY A 16 -2.628 -4.489 0.296 1.00 0.00 C ATOM 203 O GLY A 16 -2.947 -3.736 1.215 1.00 0.00 O ATOM 0 H GLY A 16 -3.299 -2.096 -0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.174 -4.815 -1.748 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.712 -3.872 -1.537 1.00 0.00 H new ATOM 207 N GLU A 17 -2.195 -5.731 0.493 1.00 0.00 N ATOM 208 CA GLU A 17 -2.068 -6.291 1.834 1.00 0.00 C ATOM 209 C GLU A 17 -0.657 -6.088 2.377 1.00 0.00 C ATOM 210 O GLU A 17 0.288 -6.749 1.944 1.00 0.00 O ATOM 211 CB GLU A 17 -2.414 -7.781 1.822 1.00 0.00 C ATOM 212 CG GLU A 17 -2.130 -8.482 3.141 1.00 0.00 C ATOM 213 CD GLU A 17 -2.505 -9.951 3.113 1.00 0.00 C ATOM 214 OE1 GLU A 17 -3.715 -10.256 3.140 1.00 0.00 O ATOM 215 OE2 GLU A 17 -1.586 -10.796 3.064 1.00 0.00 O ATOM 0 H GLU A 17 -1.927 -6.367 -0.258 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.767 -5.769 2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.470 -7.898 1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.847 -8.271 1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.071 -8.386 3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.682 -7.985 3.939 1.00 0.00 H new ATOM 222 N VAL A 18 -0.521 -5.169 3.327 1.00 0.00 N ATOM 223 CA VAL A 18 0.774 -4.879 3.931 1.00 0.00 C ATOM 224 C VAL A 18 1.541 -6.162 4.230 1.00 0.00 C ATOM 225 O VAL A 18 1.165 -6.931 5.114 1.00 0.00 O ATOM 226 CB VAL A 18 0.619 -4.072 5.233 1.00 0.00 C ATOM 227 CG1 VAL A 18 1.947 -3.449 5.637 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.453 -3.004 5.072 1.00 0.00 C ATOM 0 H VAL A 18 -1.292 -4.612 3.695 1.00 0.00 H new ATOM 0 HA VAL A 18 1.333 -4.284 3.209 1.00 0.00 H new ATOM 0 HB VAL A 18 0.308 -4.751 6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.818 -2.883 6.559 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.685 -4.236 5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.291 -2.782 4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.550 -2.443 6.001 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.173 -2.326 4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.405 -3.477 4.833 1.00 0.00 H new ATOM 238 N VAL A 19 2.620 -6.388 3.486 1.00 0.00 N ATOM 239 CA VAL A 19 3.442 -7.578 3.673 1.00 0.00 C ATOM 240 C VAL A 19 4.707 -7.254 4.459 1.00 0.00 C ATOM 241 O VAL A 19 5.014 -7.906 5.456 1.00 0.00 O ATOM 242 CB VAL A 19 3.835 -8.205 2.322 1.00 0.00 C ATOM 243 CG1 VAL A 19 4.753 -9.400 2.535 1.00 0.00 C ATOM 244 CG2 VAL A 19 2.594 -8.608 1.541 1.00 0.00 C ATOM 0 H VAL A 19 2.945 -5.763 2.749 1.00 0.00 H new ATOM 0 HA VAL A 19 2.842 -8.293 4.236 1.00 0.00 H new ATOM 0 HB VAL A 19 4.377 -7.460 1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.020 -9.830 1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.657 -9.077 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.240 -10.150 3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.890 -9.049 0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.023 -9.336 2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.978 -7.728 1.357 1.00 0.00 H new ATOM 254 N GLU A 20 5.439 -6.242 4.001 1.00 0.00 N ATOM 255 CA GLU A 20 6.672 -5.832 4.662 1.00 0.00 C ATOM 256 C GLU A 20 6.817 -4.313 4.650 1.00 0.00 C ATOM 257 O GLU A 20 6.531 -3.660 3.646 1.00 0.00 O ATOM 258 CB GLU A 20 7.881 -6.476 3.980 1.00 0.00 C ATOM 259 CG GLU A 20 9.212 -6.073 4.592 1.00 0.00 C ATOM 260 CD GLU A 20 10.358 -6.948 4.124 1.00 0.00 C ATOM 261 OE1 GLU A 20 10.598 -7.007 2.900 1.00 0.00 O ATOM 262 OE2 GLU A 20 11.016 -7.572 4.982 1.00 0.00 O ATOM 0 H GLU A 20 5.199 -5.692 3.176 1.00 0.00 H new ATOM 0 HA GLU A 20 6.627 -6.167 5.698 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.781 -7.560 4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.879 -6.205 2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.425 -5.035 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.139 -6.126 5.678 1.00 0.00 H new ATOM 269 N ILE A 21 7.262 -3.758 5.772 1.00 0.00 N ATOM 270 CA ILE A 21 7.446 -2.317 5.890 1.00 0.00 C ATOM 271 C ILE A 21 8.826 -1.982 6.445 1.00 0.00 C ATOM 272 O ILE A 21 9.114 -2.238 7.614 1.00 0.00 O ATOM 273 CB ILE A 21 6.373 -1.686 6.798 1.00 0.00 C ATOM 274 CG1 ILE A 21 4.973 -2.048 6.297 1.00 0.00 C ATOM 275 CG2 ILE A 21 6.547 -0.175 6.852 1.00 0.00 C ATOM 276 CD1 ILE A 21 3.883 -1.791 7.314 1.00 0.00 C ATOM 0 H ILE A 21 7.502 -4.284 6.612 1.00 0.00 H new ATOM 0 HA ILE A 21 7.351 -1.903 4.886 1.00 0.00 H new ATOM 0 HB ILE A 21 6.492 -2.083 7.806 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.759 -1.475 5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.957 -3.101 6.017 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.782 0.257 7.497 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.534 0.064 7.249 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.450 0.238 5.848 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.918 -2.070 6.891 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.073 -2.384 8.208 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.872 -0.733 7.576 1.00 0.00 H new ATOM 288 N GLN A 22 9.674 -1.407 5.599 1.00 0.00 N ATOM 289 CA GLN A 22 11.024 -1.036 6.006 1.00 0.00 C ATOM 290 C GLN A 22 11.229 0.472 5.901 1.00 0.00 C ATOM 291 O GLN A 22 10.856 1.091 4.905 1.00 0.00 O ATOM 292 CB GLN A 22 12.058 -1.764 5.145 1.00 0.00 C ATOM 293 CG GLN A 22 12.452 -3.127 5.690 1.00 0.00 C ATOM 294 CD GLN A 22 13.114 -3.042 7.052 1.00 0.00 C ATOM 295 OE1 GLN A 22 12.478 -3.279 8.079 1.00 0.00 O ATOM 296 NE2 GLN A 22 14.397 -2.702 7.066 1.00 0.00 N ATOM 0 H GLN A 22 9.451 -1.188 4.628 1.00 0.00 H new ATOM 0 HA GLN A 22 11.156 -1.331 7.047 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.659 -1.886 4.138 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.950 -1.144 5.061 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.565 -3.756 5.760 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.132 -3.612 4.989 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.884 -2.514 6.190 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.895 -2.628 7.953 1.00 0.00 H new ATOM 305 N ILE A 23 11.824 1.056 6.936 1.00 0.00 N ATOM 306 CA ILE A 23 12.079 2.491 6.959 1.00 0.00 C ATOM 307 C ILE A 23 13.576 2.783 6.998 1.00 0.00 C ATOM 308 O ILE A 23 14.291 2.298 7.875 1.00 0.00 O ATOM 309 CB ILE A 23 11.405 3.163 8.170 1.00 0.00 C ATOM 310 CG1 ILE A 23 9.889 2.967 8.111 1.00 0.00 C ATOM 311 CG2 ILE A 23 11.752 4.644 8.215 1.00 0.00 C ATOM 312 CD1 ILE A 23 9.219 3.760 7.011 1.00 0.00 C ATOM 0 H ILE A 23 12.138 0.558 7.769 1.00 0.00 H new ATOM 0 HA ILE A 23 11.655 2.902 6.043 1.00 0.00 H new ATOM 0 HB ILE A 23 11.778 2.695 9.081 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.673 1.908 7.968 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.456 3.254 9.070 1.00 0.00 H new ATOM 0 HG21 ILE A 23 11.268 5.105 9.076 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.832 4.762 8.299 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.404 5.127 7.302 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.145 3.572 7.029 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.404 4.823 7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.624 3.457 6.046 1.00 0.00 H new ATOM 324 N ASP A 24 14.042 3.580 6.042 1.00 0.00 N ATOM 325 CA ASP A 24 15.453 3.939 5.968 1.00 0.00 C ATOM 326 C ASP A 24 15.761 5.122 6.882 1.00 0.00 C ATOM 327 O ASP A 24 15.388 6.258 6.589 1.00 0.00 O ATOM 328 CB ASP A 24 15.841 4.277 4.528 1.00 0.00 C ATOM 329 CG ASP A 24 17.294 3.966 4.231 1.00 0.00 C ATOM 330 OD1 ASP A 24 17.747 2.855 4.580 1.00 0.00 O ATOM 331 OD2 ASP A 24 17.980 4.833 3.649 1.00 0.00 O ATOM 0 H ASP A 24 13.463 3.989 5.308 1.00 0.00 H new ATOM 0 HA ASP A 24 16.038 3.082 6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 24 15.205 3.716 3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.654 5.335 4.343 1.00 0.00 H new ATOM 336 N ARG A 25 16.443 4.847 7.989 1.00 0.00 N ATOM 337 CA ARG A 25 16.799 5.887 8.946 1.00 0.00 C ATOM 338 C ARG A 25 17.797 6.868 8.337 1.00 0.00 C ATOM 339 O ARG A 25 18.655 6.500 7.534 1.00 0.00 O ATOM 340 CB ARG A 25 17.388 5.265 10.213 1.00 0.00 C ATOM 341 CG ARG A 25 16.349 4.951 11.277 1.00 0.00 C ATOM 342 CD ARG A 25 16.814 3.833 12.197 1.00 0.00 C ATOM 343 NE ARG A 25 17.591 4.340 13.325 1.00 0.00 N ATOM 344 CZ ARG A 25 18.901 4.555 13.277 1.00 0.00 C ATOM 345 NH1 ARG A 25 19.577 4.308 12.163 1.00 0.00 N ATOM 346 NH2 ARG A 25 19.538 5.017 14.345 1.00 0.00 N ATOM 0 H ARG A 25 16.760 3.912 8.245 1.00 0.00 H new ATOM 0 HA ARG A 25 15.892 6.432 9.205 1.00 0.00 H new ATOM 0 HB2 ARG A 25 17.912 4.347 9.947 1.00 0.00 H new ATOM 0 HB3 ARG A 25 18.129 5.946 10.631 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.146 5.846 11.864 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.412 4.664 10.799 1.00 0.00 H new ATOM 0 HD2 ARG A 25 15.948 3.287 12.570 1.00 0.00 H new ATOM 0 HD3 ARG A 25 17.418 3.125 11.630 1.00 0.00 H new ATOM 0 HE ARG A 25 17.101 4.540 14.197 1.00 0.00 H new ATOM 0 HH11 ARG A 25 19.091 3.952 11.340 1.00 0.00 H new ATOM 0 HH12 ARG A 25 20.583 4.474 12.129 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.022 5.207 15.204 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.544 5.182 14.307 1.00 0.00 H new ATOM 360 N PRO A 26 17.683 8.146 8.726 1.00 0.00 N ATOM 361 CA PRO A 26 18.567 9.206 8.230 1.00 0.00 C ATOM 362 C PRO A 26 19.990 9.069 8.760 1.00 0.00 C ATOM 363 O PRO A 26 20.858 9.887 8.455 1.00 0.00 O ATOM 364 CB PRO A 26 17.919 10.486 8.763 1.00 0.00 C ATOM 365 CG PRO A 26 17.160 10.053 9.969 1.00 0.00 C ATOM 366 CD PRO A 26 16.684 8.656 9.679 1.00 0.00 C ATOM 0 HA PRO A 26 18.664 9.181 7.145 1.00 0.00 H new ATOM 0 HB2 PRO A 26 18.670 11.234 9.016 1.00 0.00 H new ATOM 0 HB3 PRO A 26 17.259 10.935 8.020 1.00 0.00 H new ATOM 0 HG2 PRO A 26 17.793 10.073 10.856 1.00 0.00 H new ATOM 0 HG3 PRO A 26 16.319 10.720 10.161 1.00 0.00 H new ATOM 0 HD2 PRO A 26 16.645 8.049 10.583 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.682 8.654 9.250 1.00 0.00 H new ATOM 374 N ALA A 27 20.223 8.030 9.555 1.00 0.00 N ATOM 375 CA ALA A 27 21.542 7.784 10.126 1.00 0.00 C ATOM 376 C ALA A 27 22.641 8.067 9.107 1.00 0.00 C ATOM 377 O ALA A 27 23.574 8.825 9.378 1.00 0.00 O ATOM 378 CB ALA A 27 21.641 6.352 10.629 1.00 0.00 C ATOM 0 H ALA A 27 19.515 7.345 9.819 1.00 0.00 H new ATOM 0 HA ALA A 27 21.679 8.462 10.968 1.00 0.00 H new ATOM 0 HB1 ALA A 27 22.631 6.183 11.053 1.00 0.00 H new ATOM 0 HB2 ALA A 27 20.885 6.182 11.395 1.00 0.00 H new ATOM 0 HB3 ALA A 27 21.478 5.663 9.800 1.00 0.00 H new ATOM 384 N THR A 28 22.527 7.452 7.934 1.00 0.00 N ATOM 385 CA THR A 28 23.512 7.636 6.876 1.00 0.00 C ATOM 386 C THR A 28 23.598 9.097 6.453 1.00 0.00 C ATOM 387 O THR A 28 24.688 9.653 6.322 1.00 0.00 O ATOM 388 CB THR A 28 23.180 6.774 5.643 1.00 0.00 C ATOM 389 OG1 THR A 28 24.117 7.039 4.593 1.00 0.00 O ATOM 390 CG2 THR A 28 21.768 7.056 5.151 1.00 0.00 C ATOM 0 H THR A 28 21.762 6.822 7.693 1.00 0.00 H new ATOM 0 HA THR A 28 24.474 7.321 7.281 1.00 0.00 H new ATOM 0 HB THR A 28 23.246 5.725 5.932 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.900 6.486 3.814 1.00 0.00 H new ATOM 0 HG21 THR A 28 21.556 6.436 4.280 1.00 0.00 H new ATOM 0 HG22 THR A 28 21.054 6.827 5.942 1.00 0.00 H new ATOM 0 HG23 THR A 28 21.681 8.108 4.878 1.00 0.00 H new ATOM 398 N GLY A 29 22.441 9.716 6.240 1.00 0.00 N ATOM 399 CA GLY A 29 22.408 11.109 5.834 1.00 0.00 C ATOM 400 C GLY A 29 21.163 11.825 6.317 1.00 0.00 C ATOM 401 O GLY A 29 20.079 11.242 6.361 1.00 0.00 O ATOM 0 H GLY A 29 21.526 9.278 6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 29 23.290 11.618 6.223 1.00 0.00 H new ATOM 0 HA3 GLY A 29 22.459 11.169 4.747 1.00 0.00 H new ATOM 405 N THR A 30 21.316 13.094 6.684 1.00 0.00 N ATOM 406 CA THR A 30 20.196 13.890 7.170 1.00 0.00 C ATOM 407 C THR A 30 19.435 14.530 6.015 1.00 0.00 C ATOM 408 O THR A 30 20.005 14.809 4.962 1.00 0.00 O ATOM 409 CB THR A 30 20.668 14.994 8.134 1.00 0.00 C ATOM 410 OG1 THR A 30 19.537 15.653 8.715 1.00 0.00 O ATOM 411 CG2 THR A 30 21.537 16.011 7.409 1.00 0.00 C ATOM 0 H THR A 30 22.205 13.592 6.654 1.00 0.00 H new ATOM 0 HA THR A 30 19.533 13.210 7.705 1.00 0.00 H new ATOM 0 HB THR A 30 21.261 14.529 8.921 1.00 0.00 H new ATOM 0 HG1 THR A 30 19.845 16.353 9.328 1.00 0.00 H new ATOM 0 HG21 THR A 30 21.858 16.781 8.111 1.00 0.00 H new ATOM 0 HG22 THR A 30 22.412 15.511 6.993 1.00 0.00 H new ATOM 0 HG23 THR A 30 20.964 16.470 6.603 1.00 0.00 H new ATOM 419 N GLY A 31 18.142 14.762 6.221 1.00 0.00 N ATOM 420 CA GLY A 31 17.323 15.369 5.188 1.00 0.00 C ATOM 421 C GLY A 31 16.067 14.571 4.899 1.00 0.00 C ATOM 422 O GLY A 31 15.504 13.941 5.795 1.00 0.00 O ATOM 0 H GLY A 31 17.647 14.540 7.085 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.046 16.378 5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 31 17.908 15.463 4.273 1.00 0.00 H new ATOM 426 N SER A 32 15.625 14.599 3.646 1.00 0.00 N ATOM 427 CA SER A 32 14.424 13.877 3.243 1.00 0.00 C ATOM 428 C SER A 32 14.424 12.461 3.812 1.00 0.00 C ATOM 429 O SER A 32 15.451 11.968 4.281 1.00 0.00 O ATOM 430 CB SER A 32 14.322 13.825 1.717 1.00 0.00 C ATOM 431 OG SER A 32 13.718 15.000 1.206 1.00 0.00 O ATOM 0 H SER A 32 16.080 15.114 2.892 1.00 0.00 H new ATOM 0 HA SER A 32 13.560 14.410 3.640 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.317 13.707 1.287 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.740 12.953 1.418 1.00 0.00 H new ATOM 0 HG SER A 32 13.666 14.943 0.229 1.00 0.00 H new ATOM 437 N LYS A 33 13.266 11.812 3.768 1.00 0.00 N ATOM 438 CA LYS A 33 13.130 10.453 4.278 1.00 0.00 C ATOM 439 C LYS A 33 12.713 9.495 3.167 1.00 0.00 C ATOM 440 O LYS A 33 12.039 9.888 2.214 1.00 0.00 O ATOM 441 CB LYS A 33 12.103 10.412 5.412 1.00 0.00 C ATOM 442 CG LYS A 33 12.525 11.197 6.642 1.00 0.00 C ATOM 443 CD LYS A 33 11.901 10.631 7.907 1.00 0.00 C ATOM 444 CE LYS A 33 12.769 9.541 8.516 1.00 0.00 C ATOM 445 NZ LYS A 33 12.894 8.362 7.615 1.00 0.00 N ATOM 0 H LYS A 33 12.407 12.206 3.384 1.00 0.00 H new ATOM 0 HA LYS A 33 14.100 10.137 4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.155 10.807 5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.928 9.374 5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.611 11.178 6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.232 12.241 6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.757 11.431 8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.915 10.227 7.678 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.760 9.942 8.728 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.342 9.226 9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.316 7.568 8.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.952 8.088 7.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.502 8.606 6.807 1.00 0.00 H new ATOM 459 N VAL A 34 13.117 8.235 3.295 1.00 0.00 N ATOM 460 CA VAL A 34 12.784 7.220 2.303 1.00 0.00 C ATOM 461 C VAL A 34 12.508 5.874 2.965 1.00 0.00 C ATOM 462 O VAL A 34 13.006 5.593 4.055 1.00 0.00 O ATOM 463 CB VAL A 34 13.915 7.050 1.271 1.00 0.00 C ATOM 464 CG1 VAL A 34 14.227 8.378 0.598 1.00 0.00 C ATOM 465 CG2 VAL A 34 15.157 6.474 1.933 1.00 0.00 C ATOM 0 H VAL A 34 13.676 7.893 4.077 1.00 0.00 H new ATOM 0 HA VAL A 34 11.884 7.561 1.791 1.00 0.00 H new ATOM 0 HB VAL A 34 13.582 6.350 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.028 8.239 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.336 8.746 0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 34 14.540 9.102 1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.946 6.360 1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 34 15.495 7.147 2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.922 5.501 2.364 1.00 0.00 H new ATOM 475 N GLY A 35 11.712 5.044 2.298 1.00 0.00 N ATOM 476 CA GLY A 35 11.384 3.737 2.836 1.00 0.00 C ATOM 477 C GLY A 35 10.871 2.785 1.774 1.00 0.00 C ATOM 478 O GLY A 35 10.461 3.210 0.694 1.00 0.00 O ATOM 0 H GLY A 35 11.288 5.254 1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.269 3.309 3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.630 3.847 3.616 1.00 0.00 H new ATOM 482 N LYS A 36 10.896 1.492 2.080 1.00 0.00 N ATOM 483 CA LYS A 36 10.430 0.475 1.144 1.00 0.00 C ATOM 484 C LYS A 36 9.219 -0.265 1.704 1.00 0.00 C ATOM 485 O LYS A 36 9.237 -0.733 2.843 1.00 0.00 O ATOM 486 CB LYS A 36 11.553 -0.518 0.839 1.00 0.00 C ATOM 487 CG LYS A 36 11.145 -1.620 -0.125 1.00 0.00 C ATOM 488 CD LYS A 36 12.321 -2.516 -0.478 1.00 0.00 C ATOM 489 CE LYS A 36 12.486 -3.641 0.532 1.00 0.00 C ATOM 490 NZ LYS A 36 13.898 -4.107 0.617 1.00 0.00 N ATOM 0 H LYS A 36 11.234 1.123 2.969 1.00 0.00 H new ATOM 0 HA LYS A 36 10.134 0.973 0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 36 12.402 0.023 0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.891 -0.969 1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.351 -2.219 0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.738 -1.177 -1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.174 -2.937 -1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.234 -1.922 -0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.157 -3.299 1.513 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.844 -4.477 0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.969 -4.874 1.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.205 -4.457 -0.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.508 -3.316 0.908 1.00 0.00 H new ATOM 504 N LEU A 37 8.170 -0.370 0.896 1.00 0.00 N ATOM 505 CA LEU A 37 6.951 -1.056 1.310 1.00 0.00 C ATOM 506 C LEU A 37 6.594 -2.170 0.331 1.00 0.00 C ATOM 507 O LEU A 37 6.816 -2.048 -0.874 1.00 0.00 O ATOM 508 CB LEU A 37 5.793 -0.061 1.413 1.00 0.00 C ATOM 509 CG LEU A 37 4.388 -0.664 1.401 1.00 0.00 C ATOM 510 CD1 LEU A 37 4.082 -1.330 2.734 1.00 0.00 C ATOM 511 CD2 LEU A 37 3.351 0.405 1.087 1.00 0.00 C ATOM 0 H LEU A 37 8.139 0.011 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 37 7.128 -1.501 2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.913 0.512 2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.871 0.644 0.586 1.00 0.00 H new ATOM 0 HG LEU A 37 4.346 -1.423 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.078 -1.754 2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.806 -2.124 2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.143 -0.591 3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.357 -0.042 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.394 1.187 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.559 0.837 0.108 1.00 0.00 H new ATOM 523 N THR A 38 6.037 -3.257 0.857 1.00 0.00 N ATOM 524 CA THR A 38 5.648 -4.392 0.031 1.00 0.00 C ATOM 525 C THR A 38 4.201 -4.793 0.293 1.00 0.00 C ATOM 526 O THR A 38 3.810 -5.033 1.437 1.00 0.00 O ATOM 527 CB THR A 38 6.560 -5.608 0.282 1.00 0.00 C ATOM 528 OG1 THR A 38 7.924 -5.261 0.021 1.00 0.00 O ATOM 529 CG2 THR A 38 6.152 -6.781 -0.597 1.00 0.00 C ATOM 0 H THR A 38 5.845 -3.374 1.852 1.00 0.00 H new ATOM 0 HA THR A 38 5.752 -4.077 -1.007 1.00 0.00 H new ATOM 0 HB THR A 38 6.455 -5.903 1.326 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.497 -6.039 0.185 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.810 -7.628 -0.402 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.123 -7.062 -0.374 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.230 -6.494 -1.646 1.00 0.00 H new ATOM 537 N LEU A 39 3.410 -4.865 -0.771 1.00 0.00 N ATOM 538 CA LEU A 39 2.004 -5.238 -0.656 1.00 0.00 C ATOM 539 C LEU A 39 1.649 -6.338 -1.651 1.00 0.00 C ATOM 540 O LEU A 39 2.044 -6.287 -2.817 1.00 0.00 O ATOM 541 CB LEU A 39 1.111 -4.018 -0.887 1.00 0.00 C ATOM 542 CG LEU A 39 0.709 -3.235 0.363 1.00 0.00 C ATOM 543 CD1 LEU A 39 1.917 -2.538 0.969 1.00 0.00 C ATOM 544 CD2 LEU A 39 -0.380 -2.225 0.032 1.00 0.00 C ATOM 0 H LEU A 39 3.718 -4.670 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 39 1.836 -5.617 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.626 -3.339 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.203 -4.347 -1.393 1.00 0.00 H new ATOM 0 HG LEU A 39 0.315 -3.938 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.611 -1.986 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.666 -3.281 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.341 -1.847 0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.654 -1.677 0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.012 -1.527 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.255 -2.747 -0.355 1.00 0.00 H new ATOM 556 N LYS A 40 0.900 -7.332 -1.185 1.00 0.00 N ATOM 557 CA LYS A 40 0.488 -8.443 -2.035 1.00 0.00 C ATOM 558 C LYS A 40 -0.840 -8.140 -2.721 1.00 0.00 C ATOM 559 O LYS A 40 -1.877 -8.021 -2.067 1.00 0.00 O ATOM 560 CB LYS A 40 0.366 -9.725 -1.208 1.00 0.00 C ATOM 561 CG LYS A 40 -0.136 -10.917 -2.005 1.00 0.00 C ATOM 562 CD LYS A 40 -0.758 -11.969 -1.102 1.00 0.00 C ATOM 563 CE LYS A 40 -2.134 -11.543 -0.615 1.00 0.00 C ATOM 564 NZ LYS A 40 -3.176 -11.728 -1.663 1.00 0.00 N ATOM 0 H LYS A 40 0.566 -7.391 -0.223 1.00 0.00 H new ATOM 0 HA LYS A 40 1.249 -8.583 -2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.340 -9.967 -0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.311 -9.546 -0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.872 -10.583 -2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.691 -11.357 -2.563 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.838 -12.912 -1.642 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.107 -12.146 -0.246 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.401 -12.122 0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.104 -10.496 -0.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.102 -11.442 -1.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.944 -11.143 -2.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.211 -12.728 -1.945 1.00 0.00 H new ATOM 578 N THR A 41 -0.802 -8.017 -4.045 1.00 0.00 N ATOM 579 CA THR A 41 -2.002 -7.728 -4.820 1.00 0.00 C ATOM 580 C THR A 41 -2.767 -9.006 -5.146 1.00 0.00 C ATOM 581 O THR A 41 -2.270 -10.112 -4.931 1.00 0.00 O ATOM 582 CB THR A 41 -1.661 -6.998 -6.132 1.00 0.00 C ATOM 583 OG1 THR A 41 -1.080 -7.915 -7.066 1.00 0.00 O ATOM 584 CG2 THR A 41 -0.699 -5.848 -5.877 1.00 0.00 C ATOM 0 H THR A 41 0.047 -8.113 -4.602 1.00 0.00 H new ATOM 0 HA THR A 41 -2.627 -7.081 -4.205 1.00 0.00 H new ATOM 0 HB THR A 41 -2.584 -6.593 -6.547 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.114 -7.973 -6.910 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.473 -5.347 -6.818 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.156 -5.137 -5.189 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.222 -6.234 -5.441 1.00 0.00 H new ATOM 592 N THR A 42 -3.979 -8.848 -5.668 1.00 0.00 N ATOM 593 CA THR A 42 -4.813 -9.989 -6.024 1.00 0.00 C ATOM 594 C THR A 42 -4.011 -11.040 -6.784 1.00 0.00 C ATOM 595 O THR A 42 -4.417 -12.198 -6.872 1.00 0.00 O ATOM 596 CB THR A 42 -6.017 -9.559 -6.884 1.00 0.00 C ATOM 597 OG1 THR A 42 -6.822 -8.620 -6.163 1.00 0.00 O ATOM 598 CG2 THR A 42 -6.860 -10.763 -7.275 1.00 0.00 C ATOM 0 H THR A 42 -4.405 -7.940 -5.854 1.00 0.00 H new ATOM 0 HA THR A 42 -5.177 -10.417 -5.090 1.00 0.00 H new ATOM 0 HB THR A 42 -5.639 -9.091 -7.793 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.584 -8.350 -6.716 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.704 -10.435 -7.882 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.252 -11.463 -7.848 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.230 -11.256 -6.376 1.00 0.00 H new ATOM 606 N GLU A 43 -2.871 -10.628 -7.329 1.00 0.00 N ATOM 607 CA GLU A 43 -2.012 -11.535 -8.081 1.00 0.00 C ATOM 608 C GLU A 43 -0.682 -11.745 -7.365 1.00 0.00 C ATOM 609 O GLU A 43 -0.462 -12.775 -6.729 1.00 0.00 O ATOM 610 CB GLU A 43 -1.766 -10.990 -9.489 1.00 0.00 C ATOM 611 CG GLU A 43 -3.034 -10.832 -10.311 1.00 0.00 C ATOM 612 CD GLU A 43 -2.773 -10.888 -11.804 1.00 0.00 C ATOM 613 OE1 GLU A 43 -2.193 -11.894 -12.266 1.00 0.00 O ATOM 614 OE2 GLU A 43 -3.147 -9.928 -12.509 1.00 0.00 O ATOM 0 H GLU A 43 -2.521 -9.672 -7.264 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.520 -12.497 -8.155 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.269 -10.023 -9.413 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.084 -11.658 -10.014 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.739 -11.618 -10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.506 -9.881 -10.064 1.00 0.00 H new ATOM 621 N MET A 44 0.203 -10.759 -7.473 1.00 0.00 N ATOM 622 CA MET A 44 1.513 -10.834 -6.835 1.00 0.00 C ATOM 623 C MET A 44 1.789 -9.581 -6.011 1.00 0.00 C ATOM 624 O MET A 44 0.949 -8.686 -5.927 1.00 0.00 O ATOM 625 CB MET A 44 2.607 -11.017 -7.888 1.00 0.00 C ATOM 626 CG MET A 44 2.967 -9.734 -8.620 1.00 0.00 C ATOM 627 SD MET A 44 1.845 -9.375 -9.985 1.00 0.00 S ATOM 628 CE MET A 44 1.521 -7.635 -9.707 1.00 0.00 C ATOM 0 H MET A 44 0.037 -9.899 -7.996 1.00 0.00 H new ATOM 0 HA MET A 44 1.515 -11.695 -6.166 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.501 -11.414 -7.406 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.280 -11.761 -8.615 1.00 0.00 H new ATOM 0 HG2 MET A 44 2.954 -8.902 -7.916 1.00 0.00 H new ATOM 0 HG3 MET A 44 3.985 -9.812 -9.002 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.812 -7.273 -10.452 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.102 -7.498 -8.710 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.452 -7.074 -9.789 1.00 0.00 H new ATOM 638 N GLU A 45 2.970 -9.525 -5.404 1.00 0.00 N ATOM 639 CA GLU A 45 3.355 -8.382 -4.585 1.00 0.00 C ATOM 640 C GLU A 45 4.116 -7.351 -5.414 1.00 0.00 C ATOM 641 O GLU A 45 4.659 -7.667 -6.473 1.00 0.00 O ATOM 642 CB GLU A 45 4.213 -8.838 -3.404 1.00 0.00 C ATOM 643 CG GLU A 45 3.410 -9.451 -2.269 1.00 0.00 C ATOM 644 CD GLU A 45 4.262 -10.298 -1.343 1.00 0.00 C ATOM 645 OE1 GLU A 45 5.471 -10.011 -1.222 1.00 0.00 O ATOM 646 OE2 GLU A 45 3.720 -11.248 -0.741 1.00 0.00 O ATOM 0 H GLU A 45 3.677 -10.258 -5.464 1.00 0.00 H new ATOM 0 HA GLU A 45 2.445 -7.917 -4.205 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.943 -9.567 -3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.773 -7.985 -3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.935 -8.656 -1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.611 -10.065 -2.684 1.00 0.00 H new ATOM 653 N THR A 46 4.152 -6.116 -4.924 1.00 0.00 N ATOM 654 CA THR A 46 4.845 -5.038 -5.618 1.00 0.00 C ATOM 655 C THR A 46 5.378 -4.003 -4.634 1.00 0.00 C ATOM 656 O THR A 46 4.671 -3.581 -3.719 1.00 0.00 O ATOM 657 CB THR A 46 3.920 -4.337 -6.631 1.00 0.00 C ATOM 658 OG1 THR A 46 3.463 -5.277 -7.610 1.00 0.00 O ATOM 659 CG2 THR A 46 4.644 -3.191 -7.322 1.00 0.00 C ATOM 0 H THR A 46 3.709 -5.837 -4.049 1.00 0.00 H new ATOM 0 HA THR A 46 5.680 -5.491 -6.152 1.00 0.00 H new ATOM 0 HB THR A 46 3.065 -3.933 -6.089 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.874 -4.824 -8.249 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.971 -2.711 -8.033 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.965 -2.462 -6.578 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.515 -3.577 -7.851 1.00 0.00 H new ATOM 667 N ILE A 47 6.629 -3.598 -4.828 1.00 0.00 N ATOM 668 CA ILE A 47 7.255 -2.611 -3.958 1.00 0.00 C ATOM 669 C ILE A 47 6.876 -1.193 -4.372 1.00 0.00 C ATOM 670 O ILE A 47 7.042 -0.808 -5.529 1.00 0.00 O ATOM 671 CB ILE A 47 8.790 -2.744 -3.969 1.00 0.00 C ATOM 672 CG1 ILE A 47 9.198 -4.209 -3.803 1.00 0.00 C ATOM 673 CG2 ILE A 47 9.404 -1.890 -2.870 1.00 0.00 C ATOM 674 CD1 ILE A 47 10.530 -4.541 -4.438 1.00 0.00 C ATOM 0 H ILE A 47 7.228 -3.938 -5.580 1.00 0.00 H new ATOM 0 HA ILE A 47 6.889 -2.802 -2.949 1.00 0.00 H new ATOM 0 HB ILE A 47 9.163 -2.389 -4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.242 -4.447 -2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.428 -4.844 -4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.489 -1.995 -2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.137 -0.845 -3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.027 -2.217 -1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.755 -5.596 -4.281 1.00 0.00 H new ATOM 0 HD12 ILE A 47 10.485 -4.335 -5.507 1.00 0.00 H new ATOM 0 HD13 ILE A 47 11.312 -3.932 -3.984 1.00 0.00 H new ATOM 686 N TYR A 48 6.368 -0.421 -3.418 1.00 0.00 N ATOM 687 CA TYR A 48 5.964 0.955 -3.683 1.00 0.00 C ATOM 688 C TYR A 48 6.982 1.940 -3.118 1.00 0.00 C ATOM 689 O TYR A 48 7.205 1.994 -1.908 1.00 0.00 O ATOM 690 CB TYR A 48 4.584 1.228 -3.082 1.00 0.00 C ATOM 691 CG TYR A 48 3.476 0.417 -3.715 1.00 0.00 C ATOM 692 CD1 TYR A 48 2.794 0.887 -4.830 1.00 0.00 C ATOM 693 CD2 TYR A 48 3.111 -0.820 -3.197 1.00 0.00 C ATOM 694 CE1 TYR A 48 1.780 0.150 -5.411 1.00 0.00 C ATOM 695 CE2 TYR A 48 2.100 -1.565 -3.772 1.00 0.00 C ATOM 696 CZ TYR A 48 1.438 -1.076 -4.879 1.00 0.00 C ATOM 697 OH TYR A 48 0.429 -1.815 -5.454 1.00 0.00 O ATOM 0 H TYR A 48 6.226 -0.724 -2.455 1.00 0.00 H new ATOM 0 HA TYR A 48 5.915 1.091 -4.763 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.614 1.015 -2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.354 2.288 -3.189 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.061 1.845 -5.250 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.627 -1.205 -2.330 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.258 0.531 -6.276 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.829 -2.525 -3.357 1.00 0.00 H new ATOM 0 HH TYR A 48 0.314 -2.653 -4.959 1.00 0.00 H new ATOM 707 N ASP A 49 7.596 2.718 -4.002 1.00 0.00 N ATOM 708 CA ASP A 49 8.590 3.704 -3.592 1.00 0.00 C ATOM 709 C ASP A 49 7.981 4.725 -2.637 1.00 0.00 C ATOM 710 O ASP A 49 7.067 5.466 -3.003 1.00 0.00 O ATOM 711 CB ASP A 49 9.169 4.415 -4.816 1.00 0.00 C ATOM 712 CG ASP A 49 9.852 3.457 -5.773 1.00 0.00 C ATOM 713 OD1 ASP A 49 9.291 2.370 -6.024 1.00 0.00 O ATOM 714 OD2 ASP A 49 10.948 3.794 -6.269 1.00 0.00 O ATOM 0 H ASP A 49 7.423 2.686 -5.007 1.00 0.00 H new ATOM 0 HA ASP A 49 9.392 3.180 -3.072 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.370 4.939 -5.340 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.885 5.170 -4.490 1.00 0.00 H new ATOM 719 N LEU A 50 8.491 4.758 -1.410 1.00 0.00 N ATOM 720 CA LEU A 50 7.996 5.688 -0.401 1.00 0.00 C ATOM 721 C LEU A 50 8.889 6.922 -0.313 1.00 0.00 C ATOM 722 O LEU A 50 10.027 6.912 -0.781 1.00 0.00 O ATOM 723 CB LEU A 50 7.923 4.999 0.963 1.00 0.00 C ATOM 724 CG LEU A 50 7.244 3.630 0.988 1.00 0.00 C ATOM 725 CD1 LEU A 50 7.566 2.898 2.282 1.00 0.00 C ATOM 726 CD2 LEU A 50 5.740 3.777 0.816 1.00 0.00 C ATOM 0 H LEU A 50 9.246 4.152 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 50 6.996 6.006 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.937 4.886 1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.394 5.657 1.652 1.00 0.00 H new ATOM 0 HG LEU A 50 7.628 3.040 0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.074 1.925 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.644 2.759 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.211 3.484 3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.273 2.792 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.339 4.385 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.528 4.259 -0.138 1.00 0.00 H new ATOM 738 N GLY A 51 8.364 7.984 0.292 1.00 0.00 N ATOM 739 CA GLY A 51 9.128 9.210 0.432 1.00 0.00 C ATOM 740 C GLY A 51 9.096 9.755 1.846 1.00 0.00 C ATOM 741 O GLY A 51 9.667 9.162 2.761 1.00 0.00 O ATOM 0 H GLY A 51 7.424 8.017 0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.162 9.025 0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.733 9.961 -0.252 1.00 0.00 H new ATOM 745 N THR A 52 8.426 10.889 2.026 1.00 0.00 N ATOM 746 CA THR A 52 8.324 11.516 3.338 1.00 0.00 C ATOM 747 C THR A 52 6.869 11.636 3.778 1.00 0.00 C ATOM 748 O THR A 52 6.552 11.484 4.958 1.00 0.00 O ATOM 749 CB THR A 52 8.967 12.915 3.344 1.00 0.00 C ATOM 750 OG1 THR A 52 10.278 12.854 2.772 1.00 0.00 O ATOM 751 CG2 THR A 52 9.051 13.467 4.759 1.00 0.00 C ATOM 0 H THR A 52 7.946 11.392 1.280 1.00 0.00 H new ATOM 0 HA THR A 52 8.861 10.875 4.037 1.00 0.00 H new ATOM 0 HB THR A 52 8.342 13.580 2.749 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.679 13.748 2.778 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.509 14.456 4.737 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.049 13.540 5.181 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.656 12.801 5.374 1.00 0.00 H new ATOM 759 N LYS A 53 5.987 11.909 2.823 1.00 0.00 N ATOM 760 CA LYS A 53 4.565 12.047 3.110 1.00 0.00 C ATOM 761 C LYS A 53 3.915 10.682 3.313 1.00 0.00 C ATOM 762 O LYS A 53 3.090 10.504 4.209 1.00 0.00 O ATOM 763 CB LYS A 53 3.864 12.794 1.973 1.00 0.00 C ATOM 764 CG LYS A 53 4.418 14.186 1.727 1.00 0.00 C ATOM 765 CD LYS A 53 3.922 15.176 2.768 1.00 0.00 C ATOM 766 CE LYS A 53 2.498 15.625 2.478 1.00 0.00 C ATOM 767 NZ LYS A 53 2.455 16.700 1.449 1.00 0.00 N ATOM 0 H LYS A 53 6.233 12.039 1.842 1.00 0.00 H new ATOM 0 HA LYS A 53 4.460 12.620 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.952 12.210 1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.801 12.870 2.201 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.507 14.153 1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.125 14.525 0.733 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.966 14.719 3.756 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.581 16.044 2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.910 14.772 2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.036 15.984 3.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.468 16.979 1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.994 17.523 1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.873 16.350 0.563 1.00 0.00 H new ATOM 781 N MET A 54 4.294 9.721 2.477 1.00 0.00 N ATOM 782 CA MET A 54 3.750 8.372 2.567 1.00 0.00 C ATOM 783 C MET A 54 3.992 7.779 3.952 1.00 0.00 C ATOM 784 O MET A 54 3.103 7.159 4.536 1.00 0.00 O ATOM 785 CB MET A 54 4.376 7.473 1.499 1.00 0.00 C ATOM 786 CG MET A 54 4.162 7.976 0.080 1.00 0.00 C ATOM 787 SD MET A 54 4.257 6.657 -1.146 1.00 0.00 S ATOM 788 CE MET A 54 2.777 6.977 -2.103 1.00 0.00 C ATOM 0 H MET A 54 4.976 9.852 1.730 1.00 0.00 H new ATOM 0 HA MET A 54 2.675 8.430 2.398 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.446 7.389 1.688 1.00 0.00 H new ATOM 0 HB3 MET A 54 3.957 6.471 1.588 1.00 0.00 H new ATOM 0 HG2 MET A 54 3.187 8.459 0.013 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.910 8.735 -0.149 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.695 6.241 -2.903 1.00 0.00 H new ATOM 0 HE2 MET A 54 1.903 6.908 -1.455 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.831 7.977 -2.534 1.00 0.00 H new ATOM 798 N ILE A 55 5.200 7.974 4.471 1.00 0.00 N ATOM 799 CA ILE A 55 5.557 7.460 5.787 1.00 0.00 C ATOM 800 C ILE A 55 4.703 8.098 6.877 1.00 0.00 C ATOM 801 O ILE A 55 4.236 7.419 7.791 1.00 0.00 O ATOM 802 CB ILE A 55 7.044 7.708 6.104 1.00 0.00 C ATOM 803 CG1 ILE A 55 7.930 7.037 5.053 1.00 0.00 C ATOM 804 CG2 ILE A 55 7.382 7.194 7.495 1.00 0.00 C ATOM 805 CD1 ILE A 55 9.409 7.270 5.272 1.00 0.00 C ATOM 0 H ILE A 55 5.947 8.484 4.000 1.00 0.00 H new ATOM 0 HA ILE A 55 5.372 6.386 5.767 1.00 0.00 H new ATOM 0 HB ILE A 55 7.232 8.781 6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.735 5.965 5.056 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.654 7.408 4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.436 7.376 7.704 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.770 7.713 8.233 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.182 6.124 7.546 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.977 6.766 4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.618 8.339 5.239 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.700 6.873 6.245 1.00 0.00 H new ATOM 817 N GLU A 56 4.502 9.408 6.773 1.00 0.00 N ATOM 818 CA GLU A 56 3.703 10.138 7.751 1.00 0.00 C ATOM 819 C GLU A 56 2.403 9.398 8.052 1.00 0.00 C ATOM 820 O GLU A 56 1.839 9.529 9.138 1.00 0.00 O ATOM 821 CB GLU A 56 3.394 11.547 7.240 1.00 0.00 C ATOM 822 CG GLU A 56 4.600 12.472 7.239 1.00 0.00 C ATOM 823 CD GLU A 56 4.766 13.216 8.549 1.00 0.00 C ATOM 824 OE1 GLU A 56 3.830 13.943 8.942 1.00 0.00 O ATOM 825 OE2 GLU A 56 5.833 13.071 9.182 1.00 0.00 O ATOM 0 H GLU A 56 4.881 9.985 6.022 1.00 0.00 H new ATOM 0 HA GLU A 56 4.281 10.212 8.672 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.998 11.478 6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.611 11.985 7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.500 11.890 7.040 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.500 13.192 6.427 1.00 0.00 H new ATOM 832 N SER A 57 1.933 8.621 7.081 1.00 0.00 N ATOM 833 CA SER A 57 0.697 7.863 7.240 1.00 0.00 C ATOM 834 C SER A 57 0.955 6.551 7.974 1.00 0.00 C ATOM 835 O SER A 57 0.261 6.217 8.936 1.00 0.00 O ATOM 836 CB SER A 57 0.068 7.581 5.874 1.00 0.00 C ATOM 837 OG SER A 57 -0.337 8.782 5.241 1.00 0.00 O ATOM 0 H SER A 57 2.389 8.500 6.177 1.00 0.00 H new ATOM 0 HA SER A 57 0.006 8.462 7.834 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.784 7.057 5.242 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.792 6.922 5.995 1.00 0.00 H new ATOM 0 HG SER A 57 -0.278 8.675 4.269 1.00 0.00 H new ATOM 843 N LEU A 58 1.957 5.810 7.515 1.00 0.00 N ATOM 844 CA LEU A 58 2.308 4.533 8.127 1.00 0.00 C ATOM 845 C LEU A 58 2.710 4.722 9.587 1.00 0.00 C ATOM 846 O LEU A 58 2.827 3.755 10.340 1.00 0.00 O ATOM 847 CB LEU A 58 3.450 3.871 7.353 1.00 0.00 C ATOM 848 CG LEU A 58 3.245 3.730 5.845 1.00 0.00 C ATOM 849 CD1 LEU A 58 4.133 2.630 5.286 1.00 0.00 C ATOM 850 CD2 LEU A 58 1.783 3.451 5.529 1.00 0.00 C ATOM 0 H LEU A 58 2.541 6.071 6.721 1.00 0.00 H new ATOM 0 HA LEU A 58 1.431 3.887 8.091 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.360 4.447 7.524 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.618 2.878 7.771 1.00 0.00 H new ATOM 0 HG LEU A 58 3.525 4.670 5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.973 2.544 4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.178 2.872 5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.885 1.683 5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.656 3.354 4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.476 2.525 6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.168 4.274 5.894 1.00 0.00 H new ATOM 862 N THR A 59 2.919 5.974 9.981 1.00 0.00 N ATOM 863 CA THR A 59 3.307 6.290 11.350 1.00 0.00 C ATOM 864 C THR A 59 2.088 6.615 12.205 1.00 0.00 C ATOM 865 O THR A 59 1.903 6.049 13.282 1.00 0.00 O ATOM 866 CB THR A 59 4.285 7.479 11.397 1.00 0.00 C ATOM 867 OG1 THR A 59 3.733 8.596 10.690 1.00 0.00 O ATOM 868 CG2 THR A 59 5.627 7.101 10.788 1.00 0.00 C ATOM 0 H THR A 59 2.826 6.786 9.371 1.00 0.00 H new ATOM 0 HA THR A 59 3.803 5.406 11.750 1.00 0.00 H new ATOM 0 HB THR A 59 4.441 7.751 12.441 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.360 9.348 10.726 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.301 7.957 10.833 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.059 6.270 11.346 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.485 6.805 9.749 1.00 0.00 H new ATOM 876 N LYS A 60 1.257 7.531 11.719 1.00 0.00 N ATOM 877 CA LYS A 60 0.053 7.931 12.437 1.00 0.00 C ATOM 878 C LYS A 60 -0.789 6.714 12.809 1.00 0.00 C ATOM 879 O LYS A 60 -1.521 6.734 13.798 1.00 0.00 O ATOM 880 CB LYS A 60 -0.776 8.897 11.587 1.00 0.00 C ATOM 881 CG LYS A 60 -1.525 8.220 10.453 1.00 0.00 C ATOM 882 CD LYS A 60 -2.638 9.103 9.915 1.00 0.00 C ATOM 883 CE LYS A 60 -2.100 10.161 8.963 1.00 0.00 C ATOM 884 NZ LYS A 60 -3.036 11.312 8.827 1.00 0.00 N ATOM 0 H LYS A 60 1.396 8.011 10.830 1.00 0.00 H new ATOM 0 HA LYS A 60 0.358 8.434 13.355 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.492 9.410 12.229 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.117 9.660 11.172 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.830 7.979 9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.945 7.277 10.804 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.374 8.488 9.398 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.153 9.587 10.745 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.135 10.518 9.324 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.928 9.715 7.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.634 12.011 8.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.948 10.976 8.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.180 11.754 9.757 1.00 0.00 H new ATOM 898 N ASP A 61 -0.677 5.658 12.011 1.00 0.00 N ATOM 899 CA ASP A 61 -1.426 4.431 12.258 1.00 0.00 C ATOM 900 C ASP A 61 -0.483 3.247 12.444 1.00 0.00 C ATOM 901 O ASP A 61 -0.913 2.093 12.458 1.00 0.00 O ATOM 902 CB ASP A 61 -2.390 4.156 11.103 1.00 0.00 C ATOM 903 CG ASP A 61 -3.713 4.878 11.268 1.00 0.00 C ATOM 904 OD1 ASP A 61 -4.435 4.577 12.242 1.00 0.00 O ATOM 905 OD2 ASP A 61 -4.026 5.743 10.423 1.00 0.00 O ATOM 0 H ASP A 61 -0.075 5.627 11.188 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.999 4.562 13.176 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.926 4.463 10.166 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.571 3.083 11.032 1.00 0.00 H new ATOM 910 N LYS A 62 0.806 3.539 12.584 1.00 0.00 N ATOM 911 CA LYS A 62 1.811 2.500 12.769 1.00 0.00 C ATOM 912 C LYS A 62 1.453 1.249 11.973 1.00 0.00 C ATOM 913 O LYS A 62 1.535 0.132 12.483 1.00 0.00 O ATOM 914 CB LYS A 62 1.947 2.151 14.253 1.00 0.00 C ATOM 915 CG LYS A 62 2.377 3.325 15.116 1.00 0.00 C ATOM 916 CD LYS A 62 3.878 3.552 15.041 1.00 0.00 C ATOM 917 CE LYS A 62 4.382 4.344 16.238 1.00 0.00 C ATOM 918 NZ LYS A 62 4.173 5.808 16.063 1.00 0.00 N ATOM 0 H LYS A 62 1.179 4.488 12.573 1.00 0.00 H new ATOM 0 HA LYS A 62 2.764 2.882 12.403 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.992 1.773 14.618 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.672 1.345 14.363 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.855 4.226 14.793 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.087 3.143 16.151 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.391 2.591 14.997 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.121 4.085 14.122 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.867 4.009 17.138 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.443 4.144 16.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.530 6.312 16.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.685 6.133 15.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.158 6.002 15.948 1.00 0.00 H new ATOM 932 N VAL A 63 1.057 1.444 10.719 1.00 0.00 N ATOM 933 CA VAL A 63 0.689 0.331 9.852 1.00 0.00 C ATOM 934 C VAL A 63 1.730 -0.781 9.913 1.00 0.00 C ATOM 935 O VAL A 63 2.932 -0.522 9.854 1.00 0.00 O ATOM 936 CB VAL A 63 0.527 0.789 8.390 1.00 0.00 C ATOM 937 CG1 VAL A 63 0.204 -0.396 7.492 1.00 0.00 C ATOM 938 CG2 VAL A 63 -0.550 1.858 8.283 1.00 0.00 C ATOM 0 H VAL A 63 0.983 2.362 10.281 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.266 -0.050 10.214 1.00 0.00 H new ATOM 0 HB VAL A 63 1.470 1.221 8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.093 -0.053 6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.013 -1.125 7.547 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.725 -0.860 7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.651 2.170 7.243 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.499 1.454 8.635 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.272 2.717 8.894 1.00 0.00 H new ATOM 948 N GLN A 64 1.260 -2.018 10.031 1.00 0.00 N ATOM 949 CA GLN A 64 2.151 -3.170 10.099 1.00 0.00 C ATOM 950 C GLN A 64 1.723 -4.250 9.112 1.00 0.00 C ATOM 951 O GLN A 64 0.712 -4.109 8.423 1.00 0.00 O ATOM 952 CB GLN A 64 2.174 -3.740 11.519 1.00 0.00 C ATOM 953 CG GLN A 64 3.031 -2.937 12.484 1.00 0.00 C ATOM 954 CD GLN A 64 4.502 -3.294 12.393 1.00 0.00 C ATOM 955 OE1 GLN A 64 4.898 -4.423 12.685 1.00 0.00 O ATOM 956 NE2 GLN A 64 5.321 -2.331 11.986 1.00 0.00 N ATOM 0 H GLN A 64 0.268 -2.248 10.082 1.00 0.00 H new ATOM 0 HA GLN A 64 3.154 -2.837 9.832 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.154 -3.782 11.901 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.544 -4.765 11.484 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.905 -1.874 12.278 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.682 -3.107 13.502 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.950 -1.410 11.754 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.321 -2.513 11.905 1.00 0.00 H new ATOM 965 N ALA A 65 2.498 -5.327 9.047 1.00 0.00 N ATOM 966 CA ALA A 65 2.198 -6.432 8.145 1.00 0.00 C ATOM 967 C ALA A 65 0.929 -7.162 8.573 1.00 0.00 C ATOM 968 O ALA A 65 0.678 -7.343 9.764 1.00 0.00 O ATOM 969 CB ALA A 65 3.371 -7.399 8.085 1.00 0.00 C ATOM 0 H ALA A 65 3.339 -5.458 9.609 1.00 0.00 H new ATOM 0 HA ALA A 65 2.030 -6.020 7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.132 -8.219 7.408 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.256 -6.875 7.723 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.566 -7.796 9.081 1.00 0.00 H new ATOM 975 N GLY A 66 0.132 -7.578 7.594 1.00 0.00 N ATOM 976 CA GLY A 66 -1.102 -8.282 7.891 1.00 0.00 C ATOM 977 C GLY A 66 -2.332 -7.449 7.590 1.00 0.00 C ATOM 978 O GLY A 66 -3.384 -7.987 7.241 1.00 0.00 O ATOM 0 H GLY A 66 0.319 -7.440 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.140 -9.203 7.310 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.109 -8.568 8.943 1.00 0.00 H new ATOM 982 N ASP A 67 -2.202 -6.134 7.725 1.00 0.00 N ATOM 983 CA ASP A 67 -3.313 -5.225 7.465 1.00 0.00 C ATOM 984 C ASP A 67 -3.361 -4.834 5.991 1.00 0.00 C ATOM 985 O ASP A 67 -2.446 -5.140 5.227 1.00 0.00 O ATOM 986 CB ASP A 67 -3.189 -3.973 8.334 1.00 0.00 C ATOM 987 CG ASP A 67 -3.846 -4.142 9.690 1.00 0.00 C ATOM 988 OD1 ASP A 67 -5.007 -4.600 9.734 1.00 0.00 O ATOM 989 OD2 ASP A 67 -3.199 -3.817 10.707 1.00 0.00 O ATOM 0 H ASP A 67 -1.339 -5.673 8.013 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.240 -5.741 7.716 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.135 -3.733 8.472 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.643 -3.128 7.816 1.00 0.00 H new ATOM 994 N VAL A 68 -4.435 -4.157 5.599 1.00 0.00 N ATOM 995 CA VAL A 68 -4.603 -3.724 4.217 1.00 0.00 C ATOM 996 C VAL A 68 -4.771 -2.211 4.132 1.00 0.00 C ATOM 997 O VAL A 68 -5.748 -1.655 4.634 1.00 0.00 O ATOM 998 CB VAL A 68 -5.821 -4.402 3.560 1.00 0.00 C ATOM 999 CG1 VAL A 68 -6.065 -3.832 2.172 1.00 0.00 C ATOM 1000 CG2 VAL A 68 -5.622 -5.909 3.499 1.00 0.00 C ATOM 0 H VAL A 68 -5.202 -3.896 6.219 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.700 -4.018 3.681 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.701 -4.199 4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.929 -4.323 1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.254 -2.761 2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.187 -4.003 1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.491 -6.372 3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.732 -6.135 2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.500 -6.301 4.509 1.00 0.00 H new ATOM 1010 N ILE A 69 -3.812 -1.550 3.492 1.00 0.00 N ATOM 1011 CA ILE A 69 -3.854 -0.101 3.340 1.00 0.00 C ATOM 1012 C ILE A 69 -3.863 0.297 1.868 1.00 0.00 C ATOM 1013 O ILE A 69 -3.275 -0.383 1.025 1.00 0.00 O ATOM 1014 CB ILE A 69 -2.657 0.574 4.035 1.00 0.00 C ATOM 1015 CG1 ILE A 69 -1.355 0.217 3.316 1.00 0.00 C ATOM 1016 CG2 ILE A 69 -2.592 0.159 5.498 1.00 0.00 C ATOM 1017 CD1 ILE A 69 -1.073 1.085 2.110 1.00 0.00 C ATOM 0 H ILE A 69 -2.997 -1.995 3.071 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.776 0.239 3.812 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.790 1.655 3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.526 0.304 4.018 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.397 -0.826 3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.741 0.644 5.976 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.511 0.458 6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.478 -0.923 5.565 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.135 0.775 1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.883 0.979 1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.998 2.127 2.421 1.00 0.00 H new ATOM 1029 N THR A 70 -4.533 1.404 1.563 1.00 0.00 N ATOM 1030 CA THR A 70 -4.617 1.894 0.193 1.00 0.00 C ATOM 1031 C THR A 70 -3.558 2.957 -0.077 1.00 0.00 C ATOM 1032 O THR A 70 -2.872 3.410 0.839 1.00 0.00 O ATOM 1033 CB THR A 70 -6.008 2.484 -0.107 1.00 0.00 C ATOM 1034 OG1 THR A 70 -6.313 3.522 0.830 1.00 0.00 O ATOM 1035 CG2 THR A 70 -7.079 1.405 -0.043 1.00 0.00 C ATOM 0 H THR A 70 -5.026 1.978 2.247 1.00 0.00 H new ATOM 0 HA THR A 70 -4.444 1.039 -0.460 1.00 0.00 H new ATOM 0 HB THR A 70 -5.992 2.899 -1.115 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.198 3.893 0.631 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.053 1.845 -0.258 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.860 0.631 -0.779 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.093 0.964 0.954 1.00 0.00 H new ATOM 1043 N ILE A 71 -3.431 3.350 -1.340 1.00 0.00 N ATOM 1044 CA ILE A 71 -2.456 4.361 -1.730 1.00 0.00 C ATOM 1045 C ILE A 71 -3.021 5.285 -2.804 1.00 0.00 C ATOM 1046 O ILE A 71 -3.193 4.882 -3.955 1.00 0.00 O ATOM 1047 CB ILE A 71 -1.158 3.719 -2.252 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -0.437 2.982 -1.121 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -0.252 4.778 -2.862 1.00 0.00 C ATOM 1050 CD1 ILE A 71 0.609 2.004 -1.608 1.00 0.00 C ATOM 0 H ILE A 71 -3.991 2.984 -2.110 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.230 4.943 -0.836 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.414 2.996 -3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.037 3.713 -0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.172 2.446 -0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.662 4.309 -3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.767 5.263 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.001 5.522 -2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.079 1.518 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.137 1.251 -2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.366 2.537 -2.184 1.00 0.00 H new ATOM 1062 N ASP A 72 -3.307 6.524 -2.421 1.00 0.00 N ATOM 1063 CA ASP A 72 -3.850 7.506 -3.352 1.00 0.00 C ATOM 1064 C ASP A 72 -2.730 8.278 -4.042 1.00 0.00 C ATOM 1065 O ASP A 72 -2.163 9.212 -3.474 1.00 0.00 O ATOM 1066 CB ASP A 72 -4.778 8.476 -2.619 1.00 0.00 C ATOM 1067 CG ASP A 72 -6.218 8.001 -2.605 1.00 0.00 C ATOM 1068 OD1 ASP A 72 -6.507 7.007 -1.906 1.00 0.00 O ATOM 1069 OD2 ASP A 72 -7.055 8.622 -3.292 1.00 0.00 O ATOM 0 H ASP A 72 -3.172 6.872 -1.472 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.421 6.973 -4.112 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.430 8.602 -1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.726 9.455 -3.096 1.00 0.00 H new ATOM 1074 N LYS A 73 -2.415 7.882 -5.270 1.00 0.00 N ATOM 1075 CA LYS A 73 -1.362 8.536 -6.039 1.00 0.00 C ATOM 1076 C LYS A 73 -1.647 10.026 -6.194 1.00 0.00 C ATOM 1077 O LYS A 73 -0.733 10.849 -6.156 1.00 0.00 O ATOM 1078 CB LYS A 73 -1.231 7.885 -7.418 1.00 0.00 C ATOM 1079 CG LYS A 73 -0.705 6.460 -7.371 1.00 0.00 C ATOM 1080 CD LYS A 73 -0.378 5.941 -8.761 1.00 0.00 C ATOM 1081 CE LYS A 73 1.018 6.360 -9.198 1.00 0.00 C ATOM 1082 NZ LYS A 73 1.034 7.742 -9.751 1.00 0.00 N ATOM 0 H LYS A 73 -2.874 7.111 -5.755 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.424 8.418 -5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.206 7.888 -7.906 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.565 8.489 -8.034 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.188 6.421 -6.748 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.447 5.812 -6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.453 4.854 -8.772 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.112 6.318 -9.473 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.698 6.301 -8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.387 5.663 -9.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.639 7.770 -10.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.066 8.025 -10.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.408 8.398 -9.036 1.00 0.00 H new ATOM 1096 N ALA A 74 -2.921 10.366 -6.367 1.00 0.00 N ATOM 1097 CA ALA A 74 -3.325 11.757 -6.523 1.00 0.00 C ATOM 1098 C ALA A 74 -2.500 12.673 -5.627 1.00 0.00 C ATOM 1099 O ALA A 74 -1.857 13.610 -6.102 1.00 0.00 O ATOM 1100 CB ALA A 74 -4.808 11.913 -6.218 1.00 0.00 C ATOM 0 H ALA A 74 -3.690 9.697 -6.402 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.145 12.047 -7.558 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.096 12.957 -6.338 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.387 11.295 -6.904 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.004 11.599 -5.193 1.00 0.00 H new ATOM 1106 N THR A 75 -2.522 12.398 -4.326 1.00 0.00 N ATOM 1107 CA THR A 75 -1.777 13.199 -3.363 1.00 0.00 C ATOM 1108 C THR A 75 -0.787 12.341 -2.584 1.00 0.00 C ATOM 1109 O THR A 75 -0.259 12.763 -1.556 1.00 0.00 O ATOM 1110 CB THR A 75 -2.720 13.904 -2.370 1.00 0.00 C ATOM 1111 OG1 THR A 75 -1.964 14.731 -1.479 1.00 0.00 O ATOM 1112 CG2 THR A 75 -3.522 12.888 -1.570 1.00 0.00 C ATOM 0 H THR A 75 -3.048 11.626 -3.916 1.00 0.00 H new ATOM 0 HA THR A 75 -1.232 13.952 -3.932 1.00 0.00 H new ATOM 0 HB THR A 75 -3.413 14.523 -2.939 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.130 14.276 -1.239 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.181 13.410 -0.876 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.119 12.280 -2.249 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.841 12.246 -1.011 1.00 0.00 H new ATOM 1120 N GLY A 76 -0.538 11.133 -3.081 1.00 0.00 N ATOM 1121 CA GLY A 76 0.389 10.234 -2.418 1.00 0.00 C ATOM 1122 C GLY A 76 -0.008 9.945 -0.984 1.00 0.00 C ATOM 1123 O GLY A 76 0.837 9.615 -0.152 1.00 0.00 O ATOM 0 H GLY A 76 -0.962 10.761 -3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.441 9.297 -2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.388 10.670 -2.434 1.00 0.00 H new ATOM 1127 N LYS A 77 -1.299 10.069 -0.693 1.00 0.00 N ATOM 1128 CA LYS A 77 -1.808 9.819 0.650 1.00 0.00 C ATOM 1129 C LYS A 77 -2.101 8.336 0.854 1.00 0.00 C ATOM 1130 O LYS A 77 -2.344 7.605 -0.107 1.00 0.00 O ATOM 1131 CB LYS A 77 -3.077 10.639 0.898 1.00 0.00 C ATOM 1132 CG LYS A 77 -2.802 12.053 1.379 1.00 0.00 C ATOM 1133 CD LYS A 77 -2.704 12.117 2.894 1.00 0.00 C ATOM 1134 CE LYS A 77 -3.135 13.477 3.424 1.00 0.00 C ATOM 1135 NZ LYS A 77 -4.607 13.549 3.634 1.00 0.00 N ATOM 0 H LYS A 77 -2.012 10.341 -1.370 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.042 10.122 1.364 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.657 10.684 -0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.693 10.126 1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.873 12.414 0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.597 12.716 1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.329 11.339 3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.678 11.914 3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.624 13.679 4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.830 14.254 2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.860 14.491 3.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.095 13.382 2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.895 12.825 4.323 1.00 0.00 H new ATOM 1149 N ILE A 78 -2.077 7.900 2.108 1.00 0.00 N ATOM 1150 CA ILE A 78 -2.343 6.505 2.437 1.00 0.00 C ATOM 1151 C ILE A 78 -3.397 6.389 3.533 1.00 0.00 C ATOM 1152 O ILE A 78 -3.344 7.100 4.536 1.00 0.00 O ATOM 1153 CB ILE A 78 -1.063 5.780 2.893 1.00 0.00 C ATOM 1154 CG1 ILE A 78 -0.077 5.661 1.729 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -1.402 4.406 3.450 1.00 0.00 C ATOM 1156 CD1 ILE A 78 1.363 5.511 2.169 1.00 0.00 C ATOM 0 H ILE A 78 -1.876 8.492 2.914 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.715 6.032 1.528 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.594 6.365 3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.352 4.802 1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.165 6.545 1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.487 3.906 3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.071 4.514 4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.891 3.811 2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.005 5.432 1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.656 6.381 2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.466 4.612 2.776 1.00 0.00 H new ATOM 1168 N SER A 79 -4.352 5.487 3.335 1.00 0.00 N ATOM 1169 CA SER A 79 -5.420 5.279 4.305 1.00 0.00 C ATOM 1170 C SER A 79 -5.474 3.820 4.749 1.00 0.00 C ATOM 1171 O SER A 79 -5.088 2.917 4.006 1.00 0.00 O ATOM 1172 CB SER A 79 -6.768 5.692 3.710 1.00 0.00 C ATOM 1173 OG SER A 79 -6.841 7.097 3.542 1.00 0.00 O ATOM 0 H SER A 79 -4.408 4.888 2.511 1.00 0.00 H new ATOM 0 HA SER A 79 -5.210 5.899 5.176 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.911 5.199 2.748 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.575 5.358 4.362 1.00 0.00 H new ATOM 0 HG SER A 79 -7.711 7.336 3.159 1.00 0.00 H new ATOM 1179 N LYS A 80 -5.956 3.596 5.967 1.00 0.00 N ATOM 1180 CA LYS A 80 -6.063 2.248 6.513 1.00 0.00 C ATOM 1181 C LYS A 80 -7.492 1.729 6.403 1.00 0.00 C ATOM 1182 O LYS A 80 -8.449 2.446 6.699 1.00 0.00 O ATOM 1183 CB LYS A 80 -5.613 2.231 7.975 1.00 0.00 C ATOM 1184 CG LYS A 80 -5.015 0.905 8.412 1.00 0.00 C ATOM 1185 CD LYS A 80 -4.223 1.047 9.701 1.00 0.00 C ATOM 1186 CE LYS A 80 -5.118 0.919 10.923 1.00 0.00 C ATOM 1187 NZ LYS A 80 -5.739 2.220 11.296 1.00 0.00 N ATOM 0 H LYS A 80 -6.279 4.332 6.595 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.413 1.594 5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.877 3.020 8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.467 2.462 8.612 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.812 0.174 8.552 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.365 0.521 7.625 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.445 0.284 9.737 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.721 2.015 9.716 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.901 0.187 10.724 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.534 0.542 11.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.740 2.071 11.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.242 2.619 12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.670 2.880 10.495 1.00 0.00 H new ATOM 1201 N LEU A 81 -7.631 0.478 5.979 1.00 0.00 N ATOM 1202 CA LEU A 81 -8.945 -0.139 5.832 1.00 0.00 C ATOM 1203 C LEU A 81 -9.082 -1.353 6.746 1.00 0.00 C ATOM 1204 O LEU A 81 -8.095 -1.853 7.283 1.00 0.00 O ATOM 1205 CB LEU A 81 -9.177 -0.553 4.378 1.00 0.00 C ATOM 1206 CG LEU A 81 -8.465 0.290 3.319 1.00 0.00 C ATOM 1207 CD1 LEU A 81 -8.572 -0.368 1.952 1.00 0.00 C ATOM 1208 CD2 LEU A 81 -9.043 1.698 3.281 1.00 0.00 C ATOM 0 H LEU A 81 -6.850 -0.129 5.731 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.698 0.596 6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.861 -1.590 4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.248 -0.522 4.179 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.410 0.358 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.060 0.246 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.111 -1.355 1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.622 -0.467 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.525 2.284 2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.105 1.649 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.914 2.171 4.255 1.00 0.00 H new ATOM 1220 N GLY A 82 -10.314 -1.824 6.915 1.00 0.00 N ATOM 1221 CA GLY A 82 -10.558 -2.977 7.763 1.00 0.00 C ATOM 1222 C GLY A 82 -9.905 -4.236 7.229 1.00 0.00 C ATOM 1223 O GLY A 82 -8.979 -4.770 7.839 1.00 0.00 O ATOM 0 H GLY A 82 -11.147 -1.428 6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.182 -2.773 8.766 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.632 -3.138 7.852 1.00 0.00 H new ATOM 1227 N ARG A 83 -10.390 -4.714 6.087 1.00 0.00 N ATOM 1228 CA ARG A 83 -9.850 -5.920 5.473 1.00 0.00 C ATOM 1229 C ARG A 83 -10.020 -5.882 3.957 1.00 0.00 C ATOM 1230 O ARG A 83 -10.538 -4.911 3.405 1.00 0.00 O ATOM 1231 CB ARG A 83 -10.540 -7.161 6.043 1.00 0.00 C ATOM 1232 CG ARG A 83 -9.883 -7.699 7.303 1.00 0.00 C ATOM 1233 CD ARG A 83 -8.538 -8.339 7.001 1.00 0.00 C ATOM 1234 NE ARG A 83 -8.668 -9.755 6.666 1.00 0.00 N ATOM 1235 CZ ARG A 83 -9.073 -10.680 7.530 1.00 0.00 C ATOM 1236 NH1 ARG A 83 -9.386 -10.339 8.772 1.00 0.00 N ATOM 1237 NH2 ARG A 83 -9.167 -11.948 7.150 1.00 0.00 N ATOM 0 H ARG A 83 -11.156 -4.284 5.569 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.785 -5.967 5.701 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -11.580 -6.920 6.261 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.546 -7.944 5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.749 -6.888 8.019 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.539 -8.433 7.772 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.064 -7.813 6.173 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.882 -8.230 7.865 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.435 -10.050 5.718 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.316 -9.365 9.066 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.697 -11.051 9.433 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.928 -12.213 6.194 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.478 -12.658 7.814 1.00 0.00 H new ATOM 1251 N SER A 84 -9.579 -6.944 3.290 1.00 0.00 N ATOM 1252 CA SER A 84 -9.678 -7.030 1.838 1.00 0.00 C ATOM 1253 C SER A 84 -11.135 -6.965 1.388 1.00 0.00 C ATOM 1254 O SER A 84 -11.900 -7.908 1.587 1.00 0.00 O ATOM 1255 CB SER A 84 -9.035 -8.324 1.337 1.00 0.00 C ATOM 1256 OG SER A 84 -7.697 -8.437 1.790 1.00 0.00 O ATOM 0 H SER A 84 -9.150 -7.757 3.732 1.00 0.00 H new ATOM 0 HA SER A 84 -9.146 -6.180 1.411 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.614 -9.180 1.685 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.057 -8.346 0.247 1.00 0.00 H new ATOM 0 HG SER A 84 -7.309 -9.273 1.458 1.00 0.00 H new ATOM 1262 N PHE A 85 -11.510 -5.845 0.780 1.00 0.00 N ATOM 1263 CA PHE A 85 -12.875 -5.655 0.302 1.00 0.00 C ATOM 1264 C PHE A 85 -13.260 -6.747 -0.693 1.00 0.00 C ATOM 1265 O PHE A 85 -14.330 -7.347 -0.592 1.00 0.00 O ATOM 1266 CB PHE A 85 -13.023 -4.279 -0.351 1.00 0.00 C ATOM 1267 CG PHE A 85 -13.411 -3.196 0.614 1.00 0.00 C ATOM 1268 CD1 PHE A 85 -14.622 -3.251 1.286 1.00 0.00 C ATOM 1269 CD2 PHE A 85 -12.566 -2.125 0.851 1.00 0.00 C ATOM 1270 CE1 PHE A 85 -14.982 -2.255 2.174 1.00 0.00 C ATOM 1271 CE2 PHE A 85 -12.920 -1.126 1.738 1.00 0.00 C ATOM 1272 CZ PHE A 85 -14.130 -1.192 2.402 1.00 0.00 C ATOM 0 H PHE A 85 -10.888 -5.055 0.606 1.00 0.00 H new ATOM 0 HA PHE A 85 -13.545 -5.716 1.159 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -12.081 -4.009 -0.828 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -13.774 -4.339 -1.139 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -15.291 -4.081 1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -11.618 -2.070 0.336 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.929 -2.308 2.690 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -12.252 -0.295 1.912 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.409 -0.414 3.098 1.00 0.00 H new ATOM 1282 N THR A 86 -12.378 -6.998 -1.657 1.00 0.00 N ATOM 1283 CA THR A 86 -12.625 -8.015 -2.671 1.00 0.00 C ATOM 1284 C THR A 86 -13.081 -9.324 -2.038 1.00 0.00 C ATOM 1285 O THR A 86 -12.818 -9.582 -0.863 1.00 0.00 O ATOM 1286 CB THR A 86 -11.366 -8.279 -3.519 1.00 0.00 C ATOM 1287 OG1 THR A 86 -10.849 -7.044 -4.027 1.00 0.00 O ATOM 1288 CG2 THR A 86 -11.679 -9.217 -4.675 1.00 0.00 C ATOM 0 H THR A 86 -11.487 -6.511 -1.756 1.00 0.00 H new ATOM 0 HA THR A 86 -13.416 -7.633 -3.316 1.00 0.00 H new ATOM 0 HB THR A 86 -10.618 -8.750 -2.881 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.048 -7.221 -4.563 1.00 0.00 H new ATOM 0 HG21 THR A 86 -10.775 -9.389 -5.259 1.00 0.00 H new ATOM 0 HG22 THR A 86 -12.044 -10.167 -4.284 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.442 -8.769 -5.311 1.00 0.00 H new ATOM 1296 N ARG A 87 -13.766 -10.149 -2.824 1.00 0.00 N ATOM 1297 CA ARG A 87 -14.259 -11.432 -2.339 1.00 0.00 C ATOM 1298 C ARG A 87 -13.263 -12.548 -2.643 1.00 0.00 C ATOM 1299 O ARG A 87 -12.975 -12.836 -3.804 1.00 0.00 O ATOM 1300 CB ARG A 87 -15.613 -11.755 -2.974 1.00 0.00 C ATOM 1301 CG ARG A 87 -16.513 -12.603 -2.091 1.00 0.00 C ATOM 1302 CD ARG A 87 -17.195 -11.764 -1.022 1.00 0.00 C ATOM 1303 NE ARG A 87 -18.462 -11.206 -1.489 1.00 0.00 N ATOM 1304 CZ ARG A 87 -19.216 -10.388 -0.764 1.00 0.00 C ATOM 1305 NH1 ARG A 87 -18.833 -10.033 0.455 1.00 0.00 N ATOM 1306 NH2 ARG A 87 -20.356 -9.922 -1.258 1.00 0.00 N ATOM 0 H ARG A 87 -13.992 -9.951 -3.799 1.00 0.00 H new ATOM 0 HA ARG A 87 -14.380 -11.361 -1.258 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -16.125 -10.823 -3.211 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -15.447 -12.276 -3.917 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -17.267 -13.095 -2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.924 -13.389 -1.618 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -17.373 -12.377 -0.139 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -16.532 -10.954 -0.719 1.00 0.00 H new ATOM 0 HE ARG A 87 -18.785 -11.459 -2.423 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -17.957 -10.388 0.838 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -19.414 -9.404 1.009 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -20.654 -10.192 -2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -20.934 -9.294 -0.700 1.00 0.00 H new ATOM 1320 N ALA A 88 -12.741 -13.171 -1.592 1.00 0.00 N ATOM 1321 CA ALA A 88 -11.779 -14.255 -1.746 1.00 0.00 C ATOM 1322 C ALA A 88 -12.462 -15.530 -2.229 1.00 0.00 C ATOM 1323 O ALA A 88 -12.100 -16.085 -3.267 1.00 0.00 O ATOM 1324 CB ALA A 88 -11.053 -14.507 -0.433 1.00 0.00 C ATOM 0 H ALA A 88 -12.968 -12.943 -0.624 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.050 -13.957 -2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -10.338 -15.319 -0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -10.525 -13.603 -0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.776 -14.780 0.336 1.00 0.00 H new ATOM 1330 N ARG A 89 -13.451 -15.991 -1.469 1.00 0.00 N ATOM 1331 CA ARG A 89 -14.182 -17.202 -1.819 1.00 0.00 C ATOM 1332 C ARG A 89 -13.222 -18.346 -2.132 1.00 0.00 C ATOM 1333 O ARG A 89 -13.425 -19.096 -3.087 1.00 0.00 O ATOM 1334 CB ARG A 89 -15.094 -16.944 -3.020 1.00 0.00 C ATOM 1335 CG ARG A 89 -16.339 -17.815 -3.038 1.00 0.00 C ATOM 1336 CD ARG A 89 -17.325 -17.400 -1.957 1.00 0.00 C ATOM 1337 NE ARG A 89 -18.195 -16.313 -2.398 1.00 0.00 N ATOM 1338 CZ ARG A 89 -19.110 -16.445 -3.353 1.00 0.00 C ATOM 1339 NH1 ARG A 89 -19.273 -17.611 -3.962 1.00 0.00 N ATOM 1340 NH2 ARG A 89 -19.864 -15.410 -3.698 1.00 0.00 N ATOM 0 H ARG A 89 -13.764 -15.544 -0.607 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.793 -17.487 -0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -15.394 -15.896 -3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -14.529 -17.113 -3.937 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -16.818 -17.747 -4.015 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -16.057 -18.858 -2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -17.933 -18.258 -1.672 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -16.778 -17.088 -1.067 1.00 0.00 H new ATOM 0 HE ARG A 89 -18.095 -15.403 -1.949 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -18.696 -18.409 -3.698 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -19.976 -17.710 -4.695 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -19.742 -14.512 -3.230 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -20.566 -15.512 -4.431 1.00 0.00 H new ATOM 1354 N SER A 90 -12.176 -18.472 -1.322 1.00 0.00 N ATOM 1355 CA SER A 90 -11.182 -19.521 -1.515 1.00 0.00 C ATOM 1356 C SER A 90 -11.207 -20.513 -0.356 1.00 0.00 C ATOM 1357 O SER A 90 -11.369 -21.716 -0.556 1.00 0.00 O ATOM 1358 CB SER A 90 -9.786 -18.912 -1.650 1.00 0.00 C ATOM 1359 OG SER A 90 -9.563 -18.433 -2.966 1.00 0.00 O ATOM 0 H SER A 90 -11.995 -17.861 -0.526 1.00 0.00 H new ATOM 0 HA SER A 90 -11.427 -20.055 -2.433 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.672 -18.095 -0.938 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.034 -19.660 -1.400 1.00 0.00 H new ATOM 0 HG SER A 90 -8.664 -18.047 -3.026 1.00 0.00 H new ATOM 1365 N GLY A 91 -11.043 -19.997 0.859 1.00 0.00 N ATOM 1366 CA GLY A 91 -11.049 -20.850 2.034 1.00 0.00 C ATOM 1367 C GLY A 91 -11.061 -20.057 3.325 1.00 0.00 C ATOM 1368 O GLY A 91 -10.081 -20.029 4.070 1.00 0.00 O ATOM 0 H GLY A 91 -10.906 -19.005 1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.923 -21.501 2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.171 -21.495 2.015 1.00 0.00 H new ATOM 1372 N PRO A 92 -12.192 -19.392 3.606 1.00 0.00 N ATOM 1373 CA PRO A 92 -12.354 -18.581 4.817 1.00 0.00 C ATOM 1374 C PRO A 92 -12.426 -19.433 6.079 1.00 0.00 C ATOM 1375 O PRO A 92 -12.696 -20.632 6.016 1.00 0.00 O ATOM 1376 CB PRO A 92 -13.682 -17.857 4.583 1.00 0.00 C ATOM 1377 CG PRO A 92 -14.433 -18.736 3.644 1.00 0.00 C ATOM 1378 CD PRO A 92 -13.399 -19.380 2.763 1.00 0.00 C ATOM 0 HA PRO A 92 -11.510 -17.910 4.975 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -14.227 -17.718 5.517 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -13.523 -16.867 4.156 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.006 -19.488 4.187 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -15.144 -18.159 3.053 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.693 -20.387 2.468 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -13.243 -18.812 1.846 1.00 0.00 H new ATOM 1386 N SER A 93 -12.183 -18.806 7.226 1.00 0.00 N ATOM 1387 CA SER A 93 -12.218 -19.508 8.503 1.00 0.00 C ATOM 1388 C SER A 93 -12.568 -18.551 9.639 1.00 0.00 C ATOM 1389 O SER A 93 -11.907 -17.531 9.833 1.00 0.00 O ATOM 1390 CB SER A 93 -10.869 -20.174 8.780 1.00 0.00 C ATOM 1391 OG SER A 93 -9.806 -19.244 8.656 1.00 0.00 O ATOM 0 H SER A 93 -11.960 -17.813 7.297 1.00 0.00 H new ATOM 0 HA SER A 93 -12.990 -20.276 8.447 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.869 -20.599 9.784 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.718 -20.999 8.084 1.00 0.00 H new ATOM 0 HG SER A 93 -10.087 -18.376 9.014 1.00 0.00 H new ATOM 1397 N SER A 94 -13.614 -18.889 10.387 1.00 0.00 N ATOM 1398 CA SER A 94 -14.056 -18.059 11.502 1.00 0.00 C ATOM 1399 C SER A 94 -13.951 -18.820 12.820 1.00 0.00 C ATOM 1400 O SER A 94 -13.593 -19.997 12.844 1.00 0.00 O ATOM 1401 CB SER A 94 -15.497 -17.596 11.280 1.00 0.00 C ATOM 1402 OG SER A 94 -16.415 -18.642 11.544 1.00 0.00 O ATOM 0 H SER A 94 -14.171 -19.731 10.241 1.00 0.00 H new ATOM 0 HA SER A 94 -13.406 -17.186 11.554 1.00 0.00 H new ATOM 0 HB2 SER A 94 -15.713 -16.746 11.928 1.00 0.00 H new ATOM 0 HB3 SER A 94 -15.618 -17.253 10.253 1.00 0.00 H new ATOM 0 HG SER A 94 -17.329 -18.320 11.397 1.00 0.00 H new ATOM 1408 N GLY A 95 -14.268 -18.138 13.917 1.00 0.00 N ATOM 1409 CA GLY A 95 -14.204 -18.764 15.225 1.00 0.00 C ATOM 1410 C GLY A 95 -15.571 -19.158 15.747 1.00 0.00 C ATOM 1411 O GLY A 95 -16.134 -20.171 15.331 1.00 0.00 O ATOM 0 H GLY A 95 -14.568 -17.163 13.923 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.571 -19.649 15.170 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -13.733 -18.079 15.930 1.00 0.00 H new TER 1415 GLY A 95