USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 690 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 TYR OH : rot -156:sc= 0.465 USER MOD Set 1.2: A 61 THR OG1 : rot 77:sc= 0.159 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 160:sc= -0.72 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 9 GLN : amide:sc= -4.37! C(o=-4.4!,f=-7.1!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.365 F(o=-1.4,f=-0.36) USER MOD Single : A 26 SER OG : rot 147:sc= -0.813 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 5:sc= -1.92 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.404 X(o=0.4,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 110:sc= -0.823 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 138:sc= -0.117 (180deg=-1.04) USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -5.24! C(o=-5.2!,f=-9.1!) USER MOD Single : A 64 THR OG1 : rot 96:sc= -4.07! USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= -5.89 X(o=-5.9,f=-5.8!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.128 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.910 -21.519 -11.493 1.00 0.00 N ATOM 2 CA GLY A 1 -3.840 -22.617 -11.288 1.00 0.00 C ATOM 3 C GLY A 1 -3.614 -23.279 -9.927 1.00 0.00 C ATOM 4 O GLY A 1 -4.358 -23.029 -8.980 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.083 -21.086 -12.423 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.046 -20.806 -10.748 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.935 -21.878 -11.455 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.864 -22.248 -11.352 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.717 -23.355 -12.081 1.00 0.00 H new ATOM 8 N SER A 2 -2.584 -24.111 -9.873 1.00 0.00 N ATOM 9 CA SER A 2 -2.251 -24.811 -8.644 1.00 0.00 C ATOM 10 C SER A 2 -0.791 -24.547 -8.271 1.00 0.00 C ATOM 11 O SER A 2 0.119 -24.901 -9.020 1.00 0.00 O ATOM 12 CB SER A 2 -2.500 -26.314 -8.781 1.00 0.00 C ATOM 13 OG SER A 2 -3.799 -26.595 -9.296 1.00 0.00 O ATOM 0 H SER A 2 -1.969 -24.316 -10.661 1.00 0.00 H new ATOM 0 HA SER A 2 -2.896 -24.434 -7.850 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.747 -26.748 -9.439 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.385 -26.791 -7.808 1.00 0.00 H new ATOM 0 HG SER A 2 -3.919 -27.565 -9.370 1.00 0.00 H new ATOM 19 N SER A 3 -0.612 -23.927 -7.114 1.00 0.00 N ATOM 20 CA SER A 3 0.723 -23.612 -6.633 1.00 0.00 C ATOM 21 C SER A 3 0.705 -23.449 -5.111 1.00 0.00 C ATOM 22 O SER A 3 0.106 -22.509 -4.591 1.00 0.00 O ATOM 23 CB SER A 3 1.262 -22.343 -7.296 1.00 0.00 C ATOM 24 OG SER A 3 2.545 -21.982 -6.793 1.00 0.00 O ATOM 0 H SER A 3 -1.369 -23.634 -6.496 1.00 0.00 H new ATOM 0 HA SER A 3 1.385 -24.436 -6.897 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.325 -22.495 -8.373 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.564 -21.523 -7.130 1.00 0.00 H new ATOM 0 HG SER A 3 2.992 -21.388 -7.432 1.00 0.00 H new ATOM 30 N GLY A 4 1.370 -24.378 -4.441 1.00 0.00 N ATOM 31 CA GLY A 4 1.438 -24.349 -2.990 1.00 0.00 C ATOM 32 C GLY A 4 2.393 -23.254 -2.508 1.00 0.00 C ATOM 33 O GLY A 4 1.992 -22.358 -1.767 1.00 0.00 O ATOM 0 H GLY A 4 1.867 -25.156 -4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.443 -24.176 -2.579 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.772 -25.318 -2.618 1.00 0.00 H new ATOM 37 N SER A 5 3.638 -23.363 -2.948 1.00 0.00 N ATOM 38 CA SER A 5 4.652 -22.394 -2.571 1.00 0.00 C ATOM 39 C SER A 5 4.065 -20.982 -2.603 1.00 0.00 C ATOM 40 O SER A 5 3.915 -20.344 -1.562 1.00 0.00 O ATOM 41 CB SER A 5 5.870 -22.484 -3.493 1.00 0.00 C ATOM 42 OG SER A 5 6.466 -23.777 -3.465 1.00 0.00 O ATOM 0 H SER A 5 3.967 -24.108 -3.562 1.00 0.00 H new ATOM 0 HA SER A 5 4.981 -22.620 -1.557 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.571 -22.245 -4.513 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.607 -21.739 -3.194 1.00 0.00 H new ATOM 0 HG SER A 5 7.239 -23.794 -4.068 1.00 0.00 H new ATOM 48 N SER A 6 3.748 -20.534 -3.809 1.00 0.00 N ATOM 49 CA SER A 6 3.180 -19.209 -3.991 1.00 0.00 C ATOM 50 C SER A 6 1.885 -19.080 -3.187 1.00 0.00 C ATOM 51 O SER A 6 1.694 -18.105 -2.462 1.00 0.00 O ATOM 52 CB SER A 6 2.917 -18.921 -5.470 1.00 0.00 C ATOM 53 OG SER A 6 4.046 -18.330 -6.108 1.00 0.00 O ATOM 0 H SER A 6 3.874 -21.066 -4.670 1.00 0.00 H new ATOM 0 HA SER A 6 3.900 -18.476 -3.628 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.657 -19.849 -5.979 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.059 -18.256 -5.563 1.00 0.00 H new ATOM 0 HG SER A 6 3.839 -18.163 -7.051 1.00 0.00 H new ATOM 59 N GLY A 7 1.028 -20.079 -3.341 1.00 0.00 N ATOM 60 CA GLY A 7 -0.244 -20.090 -2.639 1.00 0.00 C ATOM 61 C GLY A 7 -0.087 -19.555 -1.214 1.00 0.00 C ATOM 62 O GLY A 7 -0.990 -18.906 -0.688 1.00 0.00 O ATOM 0 H GLY A 7 1.190 -20.887 -3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.968 -19.483 -3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.638 -21.106 -2.609 1.00 0.00 H new ATOM 66 N ASP A 8 1.065 -19.848 -0.629 1.00 0.00 N ATOM 67 CA ASP A 8 1.352 -19.404 0.724 1.00 0.00 C ATOM 68 C ASP A 8 1.206 -17.883 0.800 1.00 0.00 C ATOM 69 O ASP A 8 0.329 -17.374 1.495 1.00 0.00 O ATOM 70 CB ASP A 8 2.782 -19.763 1.130 1.00 0.00 C ATOM 71 CG ASP A 8 3.156 -19.404 2.570 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.218 -19.297 3.389 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.370 -19.244 2.818 1.00 0.00 O ATOM 0 H ASP A 8 1.811 -20.388 -1.068 1.00 0.00 H new ATOM 0 HA ASP A 8 0.651 -19.899 1.396 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.925 -20.834 0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.473 -19.258 0.455 1.00 0.00 H new ATOM 78 N GLN A 9 2.080 -17.200 0.075 1.00 0.00 N ATOM 79 CA GLN A 9 2.060 -15.748 0.051 1.00 0.00 C ATOM 80 C GLN A 9 0.822 -15.246 -0.696 1.00 0.00 C ATOM 81 O GLN A 9 0.338 -14.146 -0.433 1.00 0.00 O ATOM 82 CB GLN A 9 3.340 -15.192 -0.575 1.00 0.00 C ATOM 83 CG GLN A 9 3.353 -15.417 -2.088 1.00 0.00 C ATOM 84 CD GLN A 9 4.594 -14.788 -2.726 1.00 0.00 C ATOM 85 OE1 GLN A 9 4.612 -13.626 -3.096 1.00 0.00 O ATOM 86 NE2 GLN A 9 5.627 -15.619 -2.833 1.00 0.00 N ATOM 0 H GLN A 9 2.807 -17.626 -0.500 1.00 0.00 H new ATOM 0 HA GLN A 9 2.011 -15.388 1.079 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.420 -14.126 -0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.208 -15.673 -0.125 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.333 -16.486 -2.300 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.455 -14.987 -2.531 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.544 -16.581 -2.503 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.502 -15.295 -3.245 1.00 0.00 H new ATOM 95 N LYS A 10 0.346 -16.077 -1.611 1.00 0.00 N ATOM 96 CA LYS A 10 -0.826 -15.731 -2.398 1.00 0.00 C ATOM 97 C LYS A 10 -1.970 -15.346 -1.458 1.00 0.00 C ATOM 98 O LYS A 10 -2.691 -14.383 -1.714 1.00 0.00 O ATOM 99 CB LYS A 10 -1.178 -16.866 -3.362 1.00 0.00 C ATOM 100 CG LYS A 10 -1.698 -16.315 -4.691 1.00 0.00 C ATOM 101 CD LYS A 10 -0.939 -16.924 -5.872 1.00 0.00 C ATOM 102 CE LYS A 10 -1.725 -16.757 -7.174 1.00 0.00 C ATOM 103 NZ LYS A 10 -0.883 -17.114 -8.337 1.00 0.00 N ATOM 0 H LYS A 10 0.750 -16.989 -1.825 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.622 -14.863 -3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.297 -17.483 -3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.933 -17.510 -2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.762 -16.532 -4.787 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.591 -15.230 -4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.036 -16.446 -5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.758 -17.983 -5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.613 -17.389 -7.153 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.068 -15.727 -7.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.432 -16.995 -9.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.048 -16.494 -8.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.576 -18.104 -8.253 1.00 0.00 H new ATOM 117 N LYS A 11 -2.102 -16.119 -0.389 1.00 0.00 N ATOM 118 CA LYS A 11 -3.146 -15.871 0.590 1.00 0.00 C ATOM 119 C LYS A 11 -2.845 -14.567 1.331 1.00 0.00 C ATOM 120 O LYS A 11 -3.753 -13.790 1.622 1.00 0.00 O ATOM 121 CB LYS A 11 -3.312 -17.079 1.514 1.00 0.00 C ATOM 122 CG LYS A 11 -3.985 -18.241 0.781 1.00 0.00 C ATOM 123 CD LYS A 11 -4.870 -19.050 1.731 1.00 0.00 C ATOM 124 CE LYS A 11 -5.545 -20.210 0.998 1.00 0.00 C ATOM 125 NZ LYS A 11 -5.662 -21.388 1.887 1.00 0.00 N ATOM 0 H LYS A 11 -1.503 -16.917 -0.180 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.109 -15.742 0.096 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.337 -17.394 1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.908 -16.798 2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.586 -17.856 -0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.225 -18.890 0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.268 -19.436 2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.629 -18.401 2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.534 -19.905 0.656 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.968 -20.472 0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.122 -22.166 1.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.714 -21.688 2.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.232 -21.139 2.721 1.00 0.00 H new ATOM 139 N PHE A 12 -1.566 -14.366 1.615 1.00 0.00 N ATOM 140 CA PHE A 12 -1.133 -13.170 2.316 1.00 0.00 C ATOM 141 C PHE A 12 -1.369 -11.920 1.466 1.00 0.00 C ATOM 142 O PHE A 12 -2.037 -10.984 1.902 1.00 0.00 O ATOM 143 CB PHE A 12 0.367 -13.321 2.575 1.00 0.00 C ATOM 144 CG PHE A 12 1.065 -12.017 2.967 1.00 0.00 C ATOM 145 CD1 PHE A 12 1.478 -11.150 2.004 1.00 0.00 C ATOM 146 CD2 PHE A 12 1.272 -11.724 4.279 1.00 0.00 C ATOM 147 CE1 PHE A 12 2.125 -9.940 2.367 1.00 0.00 C ATOM 148 CE2 PHE A 12 1.920 -10.514 4.643 1.00 0.00 C ATOM 149 CZ PHE A 12 2.333 -9.647 3.679 1.00 0.00 C ATOM 0 H PHE A 12 -0.815 -15.012 1.372 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.696 -13.058 3.242 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.516 -14.054 3.368 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.842 -13.720 1.679 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.314 -11.382 0.962 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.943 -12.412 5.044 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.452 -9.252 1.602 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.085 -10.282 5.685 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.826 -8.727 3.955 1.00 0.00 H new ATOM 159 N ILE A 13 -0.807 -11.945 0.266 1.00 0.00 N ATOM 160 CA ILE A 13 -0.948 -10.826 -0.650 1.00 0.00 C ATOM 161 C ILE A 13 -2.434 -10.540 -0.874 1.00 0.00 C ATOM 162 O ILE A 13 -2.872 -9.395 -0.769 1.00 0.00 O ATOM 163 CB ILE A 13 -0.171 -11.090 -1.941 1.00 0.00 C ATOM 164 CG1 ILE A 13 0.119 -9.783 -2.683 1.00 0.00 C ATOM 165 CG2 ILE A 13 -0.903 -12.101 -2.825 1.00 0.00 C ATOM 166 CD1 ILE A 13 1.246 -9.004 -2.002 1.00 0.00 C ATOM 0 H ILE A 13 -0.253 -12.723 -0.093 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.511 -9.924 -0.221 1.00 0.00 H new ATOM 0 HB ILE A 13 0.790 -11.531 -1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.394 -10.000 -3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.783 -9.171 -2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.329 -12.270 -3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.015 -13.042 -2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.888 -11.712 -3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.432 -8.080 -2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.958 -8.767 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.153 -9.609 -1.993 1.00 0.00 H new ATOM 178 N ASP A 14 -3.169 -11.599 -1.178 1.00 0.00 N ATOM 179 CA ASP A 14 -4.596 -11.476 -1.418 1.00 0.00 C ATOM 180 C ASP A 14 -5.238 -10.701 -0.265 1.00 0.00 C ATOM 181 O ASP A 14 -5.911 -9.695 -0.487 1.00 0.00 O ATOM 182 CB ASP A 14 -5.263 -12.851 -1.491 1.00 0.00 C ATOM 183 CG ASP A 14 -6.756 -12.829 -1.828 1.00 0.00 C ATOM 184 OD1 ASP A 14 -7.538 -12.487 -0.915 1.00 0.00 O ATOM 185 OD2 ASP A 14 -7.080 -13.154 -2.991 1.00 0.00 O ATOM 0 H ASP A 14 -2.802 -12.547 -1.264 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.734 -10.957 -2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.746 -13.450 -2.241 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.129 -13.354 -0.533 1.00 0.00 H new ATOM 190 N GLN A 15 -5.007 -11.198 0.941 1.00 0.00 N ATOM 191 CA GLN A 15 -5.553 -10.564 2.129 1.00 0.00 C ATOM 192 C GLN A 15 -5.300 -9.056 2.090 1.00 0.00 C ATOM 193 O GLN A 15 -6.168 -8.267 2.462 1.00 0.00 O ATOM 194 CB GLN A 15 -4.970 -11.185 3.400 1.00 0.00 C ATOM 195 CG GLN A 15 -5.544 -12.583 3.639 1.00 0.00 C ATOM 196 CD GLN A 15 -6.170 -12.688 5.031 1.00 0.00 C ATOM 197 OE1 GLN A 15 -7.325 -12.360 5.247 1.00 0.00 O ATOM 198 NE2 GLN A 15 -5.346 -13.162 5.961 1.00 0.00 N ATOM 0 H GLN A 15 -4.449 -12.033 1.121 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.630 -10.732 2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.885 -11.243 3.316 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.190 -10.546 4.255 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.295 -12.806 2.881 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.754 -13.327 3.534 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.390 -13.418 5.713 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.670 -13.270 6.922 1.00 0.00 H new ATOM 207 N VAL A 16 -4.107 -8.700 1.637 1.00 0.00 N ATOM 208 CA VAL A 16 -3.728 -7.300 1.545 1.00 0.00 C ATOM 209 C VAL A 16 -4.584 -6.614 0.478 1.00 0.00 C ATOM 210 O VAL A 16 -5.158 -5.555 0.724 1.00 0.00 O ATOM 211 CB VAL A 16 -2.227 -7.180 1.276 1.00 0.00 C ATOM 212 CG1 VAL A 16 -1.819 -5.718 1.085 1.00 0.00 C ATOM 213 CG2 VAL A 16 -1.415 -7.835 2.395 1.00 0.00 C ATOM 0 H VAL A 16 -3.390 -9.357 1.330 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.916 -6.790 2.490 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.009 -7.712 0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.747 -5.661 0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.360 -5.297 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.059 -5.153 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.351 -7.735 2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.640 -7.345 3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.674 -8.892 2.462 1.00 0.00 H new ATOM 223 N ILE A 17 -4.641 -7.246 -0.685 1.00 0.00 N ATOM 224 CA ILE A 17 -5.416 -6.709 -1.791 1.00 0.00 C ATOM 225 C ILE A 17 -6.736 -6.148 -1.258 1.00 0.00 C ATOM 226 O ILE A 17 -7.110 -5.021 -1.578 1.00 0.00 O ATOM 227 CB ILE A 17 -5.594 -7.766 -2.883 1.00 0.00 C ATOM 228 CG1 ILE A 17 -4.240 -8.292 -3.363 1.00 0.00 C ATOM 229 CG2 ILE A 17 -6.441 -7.225 -4.037 1.00 0.00 C ATOM 230 CD1 ILE A 17 -3.209 -7.163 -3.438 1.00 0.00 C ATOM 0 H ILE A 17 -4.163 -8.125 -0.886 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.885 -5.882 -2.263 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.134 -8.611 -2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.886 -9.068 -2.685 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.352 -8.753 -4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.552 -7.996 -4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.424 -6.939 -3.664 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.951 -6.354 -4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.255 -7.563 -3.782 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.555 -6.400 -4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.082 -6.720 -2.450 1.00 0.00 H new ATOM 242 N GLU A 18 -7.405 -6.960 -0.453 1.00 0.00 N ATOM 243 CA GLU A 18 -8.675 -6.559 0.128 1.00 0.00 C ATOM 244 C GLU A 18 -8.536 -5.203 0.823 1.00 0.00 C ATOM 245 O GLU A 18 -9.324 -4.291 0.576 1.00 0.00 O ATOM 246 CB GLU A 18 -9.195 -7.622 1.098 1.00 0.00 C ATOM 247 CG GLU A 18 -9.745 -8.833 0.342 1.00 0.00 C ATOM 248 CD GLU A 18 -11.002 -8.462 -0.447 1.00 0.00 C ATOM 249 OE1 GLU A 18 -12.074 -8.392 0.193 1.00 0.00 O ATOM 250 OE2 GLU A 18 -10.864 -8.256 -1.672 1.00 0.00 O ATOM 0 H GLU A 18 -7.091 -7.894 -0.189 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.405 -6.460 -0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.390 -7.938 1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.977 -7.195 1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.985 -9.218 -0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.976 -9.632 1.047 1.00 0.00 H new ATOM 257 N LYS A 19 -7.528 -5.113 1.678 1.00 0.00 N ATOM 258 CA LYS A 19 -7.276 -3.884 2.410 1.00 0.00 C ATOM 259 C LYS A 19 -7.118 -2.728 1.420 1.00 0.00 C ATOM 260 O LYS A 19 -7.580 -1.618 1.678 1.00 0.00 O ATOM 261 CB LYS A 19 -6.081 -4.056 3.350 1.00 0.00 C ATOM 262 CG LYS A 19 -6.418 -5.012 4.497 1.00 0.00 C ATOM 263 CD LYS A 19 -5.177 -5.780 4.953 1.00 0.00 C ATOM 264 CE LYS A 19 -5.202 -6.016 6.464 1.00 0.00 C ATOM 265 NZ LYS A 19 -4.485 -7.264 6.807 1.00 0.00 N ATOM 0 H LYS A 19 -6.876 -5.871 1.880 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.124 -3.642 3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.227 -4.439 2.792 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.789 -3.087 3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.830 -4.449 5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.187 -5.714 4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.126 -6.737 4.433 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.280 -5.222 4.683 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.741 -5.172 6.977 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.233 -6.075 6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.512 -7.408 7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.942 -8.069 6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.496 -7.194 6.493 1.00 0.00 H new ATOM 279 N ILE A 20 -6.464 -3.030 0.308 1.00 0.00 N ATOM 280 CA ILE A 20 -6.239 -2.030 -0.722 1.00 0.00 C ATOM 281 C ILE A 20 -7.579 -1.639 -1.348 1.00 0.00 C ATOM 282 O ILE A 20 -7.964 -0.470 -1.321 1.00 0.00 O ATOM 283 CB ILE A 20 -5.209 -2.529 -1.738 1.00 0.00 C ATOM 284 CG1 ILE A 20 -3.832 -2.687 -1.089 1.00 0.00 C ATOM 285 CG2 ILE A 20 -5.163 -1.618 -2.966 1.00 0.00 C ATOM 286 CD1 ILE A 20 -3.092 -3.898 -1.662 1.00 0.00 C ATOM 0 H ILE A 20 -6.083 -3.952 0.098 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.813 -1.126 -0.288 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.519 -3.516 -2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.243 -1.785 -1.253 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.945 -2.802 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.423 -1.996 -3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.143 -1.600 -3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.890 -0.608 -2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.116 -3.988 -1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.672 -4.801 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.959 -3.769 -2.736 1.00 0.00 H new ATOM 298 N GLU A 21 -8.254 -2.638 -1.897 1.00 0.00 N ATOM 299 CA GLU A 21 -9.543 -2.413 -2.529 1.00 0.00 C ATOM 300 C GLU A 21 -10.332 -1.349 -1.761 1.00 0.00 C ATOM 301 O GLU A 21 -10.605 -0.272 -2.290 1.00 0.00 O ATOM 302 CB GLU A 21 -10.338 -3.716 -2.632 1.00 0.00 C ATOM 303 CG GLU A 21 -9.982 -4.475 -3.912 1.00 0.00 C ATOM 304 CD GLU A 21 -11.243 -4.896 -4.669 1.00 0.00 C ATOM 305 OE1 GLU A 21 -11.904 -3.990 -5.219 1.00 0.00 O ATOM 306 OE2 GLU A 21 -11.518 -6.116 -4.680 1.00 0.00 O ATOM 0 H GLU A 21 -7.932 -3.606 -1.917 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.371 -2.050 -3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.131 -4.342 -1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.406 -3.497 -2.620 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.363 -3.846 -4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.391 -5.357 -3.664 1.00 0.00 H new ATOM 313 N ASP A 22 -10.675 -1.688 -0.527 1.00 0.00 N ATOM 314 CA ASP A 22 -11.426 -0.776 0.318 1.00 0.00 C ATOM 315 C ASP A 22 -10.799 0.618 0.240 1.00 0.00 C ATOM 316 O ASP A 22 -11.462 1.580 -0.146 1.00 0.00 O ATOM 317 CB ASP A 22 -11.395 -1.227 1.779 1.00 0.00 C ATOM 318 CG ASP A 22 -12.635 -0.858 2.597 1.00 0.00 C ATOM 319 OD1 ASP A 22 -13.422 -0.030 2.090 1.00 0.00 O ATOM 320 OD2 ASP A 22 -12.766 -1.412 3.709 1.00 0.00 O ATOM 0 H ASP A 22 -10.446 -2.582 -0.092 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.458 -0.763 -0.033 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.269 -2.309 1.807 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.519 -0.792 2.259 1.00 0.00 H new ATOM 325 N PHE A 23 -9.529 0.683 0.613 1.00 0.00 N ATOM 326 CA PHE A 23 -8.806 1.943 0.590 1.00 0.00 C ATOM 327 C PHE A 23 -8.985 2.653 -0.753 1.00 0.00 C ATOM 328 O PHE A 23 -8.814 3.868 -0.844 1.00 0.00 O ATOM 329 CB PHE A 23 -7.325 1.612 0.785 1.00 0.00 C ATOM 330 CG PHE A 23 -6.372 2.594 0.101 1.00 0.00 C ATOM 331 CD1 PHE A 23 -6.439 3.921 0.394 1.00 0.00 C ATOM 332 CD2 PHE A 23 -5.460 2.141 -0.800 1.00 0.00 C ATOM 333 CE1 PHE A 23 -5.555 4.833 -0.241 1.00 0.00 C ATOM 334 CE2 PHE A 23 -4.576 3.053 -1.434 1.00 0.00 C ATOM 335 CZ PHE A 23 -4.642 4.380 -1.142 1.00 0.00 C ATOM 0 H PHE A 23 -8.982 -0.117 0.933 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.182 2.602 1.372 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.105 1.592 1.852 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.134 0.610 0.402 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.164 4.280 1.109 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.408 1.088 -1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.608 5.886 -0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.851 2.693 -2.149 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.970 5.074 -1.625 1.00 0.00 H new ATOM 345 N LEU A 24 -9.327 1.866 -1.762 1.00 0.00 N ATOM 346 CA LEU A 24 -9.531 2.405 -3.096 1.00 0.00 C ATOM 347 C LEU A 24 -11.014 2.727 -3.290 1.00 0.00 C ATOM 348 O LEU A 24 -11.363 3.623 -4.057 1.00 0.00 O ATOM 349 CB LEU A 24 -8.967 1.451 -4.151 1.00 0.00 C ATOM 350 CG LEU A 24 -7.491 1.079 -3.997 1.00 0.00 C ATOM 351 CD1 LEU A 24 -7.150 -0.163 -4.823 1.00 0.00 C ATOM 352 CD2 LEU A 24 -6.587 2.264 -4.344 1.00 0.00 C ATOM 0 H LEU A 24 -9.468 0.859 -1.683 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.982 3.339 -3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.556 0.534 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.107 1.903 -5.133 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.309 0.831 -2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.095 -0.406 -4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.759 -1.002 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.353 0.033 -5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.543 1.972 -4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.765 2.567 -5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.808 3.098 -3.678 1.00 0.00 H new ATOM 364 N GLN A 25 -11.847 1.980 -2.580 1.00 0.00 N ATOM 365 CA GLN A 25 -13.285 2.176 -2.664 1.00 0.00 C ATOM 366 C GLN A 25 -13.722 3.309 -1.734 1.00 0.00 C ATOM 367 O GLN A 25 -14.844 3.801 -1.835 1.00 0.00 O ATOM 368 CB GLN A 25 -14.034 0.881 -2.341 1.00 0.00 C ATOM 369 CG GLN A 25 -14.399 0.815 -0.857 1.00 0.00 C ATOM 370 CD GLN A 25 -15.145 -0.480 -0.533 1.00 0.00 C ATOM 371 OE1 GLN A 25 -14.525 -1.581 -0.949 1.00 0.00 O flip ATOM 372 NE2 GLN A 25 -16.213 -0.481 0.057 1.00 0.00 N flip ATOM 0 H GLN A 25 -11.554 1.238 -1.944 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.535 2.456 -3.687 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -14.939 0.820 -2.945 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -13.416 0.023 -2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.494 0.878 -0.253 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -15.019 1.672 -0.593 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -16.635 0.400 0.349 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.684 -1.363 0.258 1.00 0.00 H new ATOM 381 N SER A 26 -12.811 3.691 -0.850 1.00 0.00 N ATOM 382 CA SER A 26 -13.089 4.757 0.097 1.00 0.00 C ATOM 383 C SER A 26 -12.674 6.105 -0.496 1.00 0.00 C ATOM 384 O SER A 26 -11.643 6.204 -1.161 1.00 0.00 O ATOM 385 CB SER A 26 -12.366 4.516 1.424 1.00 0.00 C ATOM 386 OG SER A 26 -13.076 5.075 2.527 1.00 0.00 O ATOM 0 H SER A 26 -11.880 3.281 -0.770 1.00 0.00 H new ATOM 0 HA SER A 26 -14.161 4.769 0.294 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.240 3.444 1.579 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.368 4.951 1.377 1.00 0.00 H new ATOM 0 HG SER A 26 -12.941 4.516 3.320 1.00 0.00 H new ATOM 392 N GLU A 27 -13.497 7.109 -0.234 1.00 0.00 N ATOM 393 CA GLU A 27 -13.228 8.447 -0.734 1.00 0.00 C ATOM 394 C GLU A 27 -12.364 9.222 0.262 1.00 0.00 C ATOM 395 O GLU A 27 -11.485 9.985 -0.135 1.00 0.00 O ATOM 396 CB GLU A 27 -14.531 9.194 -1.027 1.00 0.00 C ATOM 397 CG GLU A 27 -15.321 9.444 0.258 1.00 0.00 C ATOM 398 CD GLU A 27 -16.653 10.134 -0.042 1.00 0.00 C ATOM 399 OE1 GLU A 27 -17.077 10.064 -1.216 1.00 0.00 O ATOM 400 OE2 GLU A 27 -17.218 10.716 0.909 1.00 0.00 O ATOM 0 H GLU A 27 -14.350 7.023 0.318 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.678 8.360 -1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.308 10.145 -1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.137 8.615 -1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.504 8.497 0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.732 10.061 0.937 1.00 0.00 H new ATOM 407 N GLU A 28 -12.644 9.000 1.538 1.00 0.00 N ATOM 408 CA GLU A 28 -11.903 9.668 2.594 1.00 0.00 C ATOM 409 C GLU A 28 -10.453 9.179 2.617 1.00 0.00 C ATOM 410 O GLU A 28 -9.523 9.980 2.542 1.00 0.00 O ATOM 411 CB GLU A 28 -12.573 9.456 3.953 1.00 0.00 C ATOM 412 CG GLU A 28 -13.749 10.417 4.139 1.00 0.00 C ATOM 413 CD GLU A 28 -13.757 11.007 5.551 1.00 0.00 C ATOM 414 OE1 GLU A 28 -14.018 10.226 6.491 1.00 0.00 O ATOM 415 OE2 GLU A 28 -13.501 12.226 5.658 1.00 0.00 O ATOM 0 H GLU A 28 -13.374 8.367 1.864 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.902 10.738 2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.923 8.427 4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.845 9.608 4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.686 11.221 3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.686 9.891 3.956 1.00 0.00 H new ATOM 422 N LYS A 29 -10.306 7.866 2.720 1.00 0.00 N ATOM 423 CA LYS A 29 -8.986 7.261 2.753 1.00 0.00 C ATOM 424 C LYS A 29 -8.077 7.976 1.751 1.00 0.00 C ATOM 425 O LYS A 29 -8.424 8.111 0.579 1.00 0.00 O ATOM 426 CB LYS A 29 -9.082 5.751 2.526 1.00 0.00 C ATOM 427 CG LYS A 29 -9.978 5.095 3.579 1.00 0.00 C ATOM 428 CD LYS A 29 -9.758 3.582 3.620 1.00 0.00 C ATOM 429 CE LYS A 29 -9.814 3.058 5.057 1.00 0.00 C ATOM 430 NZ LYS A 29 -9.788 1.579 5.071 1.00 0.00 N ATOM 0 H LYS A 29 -11.080 7.204 2.782 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.536 7.384 3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.480 5.554 1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.086 5.310 2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.767 5.523 4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.023 5.308 3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.518 3.084 3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.792 3.339 3.178 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.970 3.448 5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.720 3.416 5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.827 1.240 6.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.607 1.212 4.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.912 1.243 4.623 1.00 0.00 H new ATOM 444 N ARG A 30 -6.930 8.416 2.249 1.00 0.00 N ATOM 445 CA ARG A 30 -5.969 9.113 1.413 1.00 0.00 C ATOM 446 C ARG A 30 -4.670 8.311 1.314 1.00 0.00 C ATOM 447 O ARG A 30 -3.999 8.333 0.283 1.00 0.00 O ATOM 448 CB ARG A 30 -5.660 10.504 1.971 1.00 0.00 C ATOM 449 CG ARG A 30 -6.749 11.505 1.582 1.00 0.00 C ATOM 450 CD ARG A 30 -6.311 12.357 0.389 1.00 0.00 C ATOM 451 NE ARG A 30 -7.040 13.645 0.391 1.00 0.00 N ATOM 452 CZ ARG A 30 -6.770 14.662 -0.439 1.00 0.00 C ATOM 453 NH1 ARG A 30 -5.787 14.547 -1.342 1.00 0.00 N ATOM 454 NH2 ARG A 30 -7.484 15.794 -0.365 1.00 0.00 N ATOM 0 H ARG A 30 -6.645 8.303 3.222 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.409 9.221 0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.578 10.454 3.057 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.696 10.845 1.594 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.667 10.971 1.335 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.974 12.150 2.431 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.237 12.538 0.436 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.504 11.822 -0.541 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.795 13.766 1.066 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.244 13.685 -1.398 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.582 15.321 -1.974 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.232 15.881 0.323 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.279 16.568 -0.996 1.00 0.00 H new ATOM 468 N SER A 31 -4.355 7.620 2.400 1.00 0.00 N ATOM 469 CA SER A 31 -3.148 6.812 2.449 1.00 0.00 C ATOM 470 C SER A 31 -3.386 5.568 3.306 1.00 0.00 C ATOM 471 O SER A 31 -3.764 5.675 4.472 1.00 0.00 O ATOM 472 CB SER A 31 -1.968 7.617 2.997 1.00 0.00 C ATOM 473 OG SER A 31 -2.373 8.893 3.486 1.00 0.00 O ATOM 0 H SER A 31 -4.915 7.603 3.253 1.00 0.00 H new ATOM 0 HA SER A 31 -2.901 6.504 1.433 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.489 7.057 3.800 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.224 7.749 2.212 1.00 0.00 H new ATOM 0 HG SER A 31 -1.592 9.375 3.829 1.00 0.00 H new ATOM 479 N LEU A 32 -3.156 4.414 2.696 1.00 0.00 N ATOM 480 CA LEU A 32 -3.340 3.151 3.388 1.00 0.00 C ATOM 481 C LEU A 32 -2.039 2.766 4.095 1.00 0.00 C ATOM 482 O LEU A 32 -0.951 3.070 3.608 1.00 0.00 O ATOM 483 CB LEU A 32 -3.855 2.081 2.423 1.00 0.00 C ATOM 484 CG LEU A 32 -4.406 0.807 3.067 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.666 1.104 3.881 1.00 0.00 C ATOM 486 CD2 LEU A 32 -4.647 -0.279 2.015 1.00 0.00 C ATOM 0 H LEU A 32 -2.843 4.328 1.729 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.105 3.248 4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.639 2.522 1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.042 1.803 1.752 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.657 0.424 3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.037 0.181 4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.430 1.819 4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.431 1.523 3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.038 -1.174 2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.367 0.080 1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.707 -0.518 1.517 1.00 0.00 H new ATOM 498 N GLU A 33 -2.194 2.104 5.232 1.00 0.00 N ATOM 499 CA GLU A 33 -1.044 1.675 6.010 1.00 0.00 C ATOM 500 C GLU A 33 -1.100 0.165 6.252 1.00 0.00 C ATOM 501 O GLU A 33 -2.023 -0.330 6.898 1.00 0.00 O ATOM 502 CB GLU A 33 -0.961 2.439 7.333 1.00 0.00 C ATOM 503 CG GLU A 33 -1.158 3.941 7.112 1.00 0.00 C ATOM 504 CD GLU A 33 -0.778 4.734 8.364 1.00 0.00 C ATOM 505 OE1 GLU A 33 -1.560 4.669 9.336 1.00 0.00 O ATOM 506 OE2 GLU A 33 0.287 5.387 8.320 1.00 0.00 O ATOM 0 H GLU A 33 -3.098 1.854 5.633 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.142 1.899 5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.720 2.066 8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.007 2.260 7.800 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.550 4.271 6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.198 4.141 6.852 1.00 0.00 H new ATOM 513 N LEU A 34 -0.102 -0.525 5.721 1.00 0.00 N ATOM 514 CA LEU A 34 -0.026 -1.968 5.872 1.00 0.00 C ATOM 515 C LEU A 34 0.889 -2.306 7.050 1.00 0.00 C ATOM 516 O LEU A 34 1.501 -1.418 7.641 1.00 0.00 O ATOM 517 CB LEU A 34 0.399 -2.622 4.556 1.00 0.00 C ATOM 518 CG LEU A 34 -0.701 -2.793 3.506 1.00 0.00 C ATOM 519 CD1 LEU A 34 -0.105 -3.140 2.140 1.00 0.00 C ATOM 520 CD2 LEU A 34 -1.736 -3.824 3.959 1.00 0.00 C ATOM 0 H LEU A 34 0.661 -0.112 5.185 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.009 -2.379 6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.201 -2.026 4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.816 -3.604 4.779 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.221 -1.841 3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.908 -3.256 1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.562 -2.340 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.456 -4.072 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.506 -3.926 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.248 -4.786 4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.193 -3.495 4.893 1.00 0.00 H new ATOM 532 N ASP A 35 0.954 -3.594 7.357 1.00 0.00 N ATOM 533 CA ASP A 35 1.784 -4.061 8.455 1.00 0.00 C ATOM 534 C ASP A 35 3.224 -4.227 7.964 1.00 0.00 C ATOM 535 O ASP A 35 3.454 -4.518 6.792 1.00 0.00 O ATOM 536 CB ASP A 35 1.301 -5.417 8.972 1.00 0.00 C ATOM 537 CG ASP A 35 1.592 -6.602 8.049 1.00 0.00 C ATOM 538 OD1 ASP A 35 2.782 -6.778 7.710 1.00 0.00 O ATOM 539 OD2 ASP A 35 0.618 -7.305 7.705 1.00 0.00 O ATOM 0 H ASP A 35 0.445 -4.328 6.865 1.00 0.00 H new ATOM 0 HA ASP A 35 1.725 -3.327 9.259 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.766 -5.607 9.939 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.225 -5.363 9.140 1.00 0.00 H new ATOM 544 N PRO A 36 4.180 -4.029 8.911 1.00 0.00 N ATOM 545 CA PRO A 36 5.591 -4.154 8.588 1.00 0.00 C ATOM 546 C PRO A 36 5.991 -5.624 8.440 1.00 0.00 C ATOM 547 O PRO A 36 5.800 -6.418 9.360 1.00 0.00 O ATOM 548 CB PRO A 36 6.318 -3.451 9.722 1.00 0.00 C ATOM 549 CG PRO A 36 5.322 -3.366 10.867 1.00 0.00 C ATOM 550 CD PRO A 36 3.944 -3.683 10.310 1.00 0.00 C ATOM 0 HA PRO A 36 5.845 -3.701 7.630 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.208 -4.006 10.019 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.649 -2.458 9.418 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.586 -4.070 11.656 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.335 -2.371 11.311 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.479 -4.509 10.849 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.275 -2.827 10.399 1.00 0.00 H new ATOM 558 N CYS A 37 6.539 -5.941 7.276 1.00 0.00 N ATOM 559 CA CYS A 37 6.968 -7.300 6.997 1.00 0.00 C ATOM 560 C CYS A 37 8.426 -7.445 7.438 1.00 0.00 C ATOM 561 O CYS A 37 9.150 -6.455 7.534 1.00 0.00 O ATOM 562 CB CYS A 37 6.780 -7.661 5.522 1.00 0.00 C ATOM 563 SG CYS A 37 4.997 -7.723 5.115 1.00 0.00 S ATOM 0 H CYS A 37 6.696 -5.280 6.515 1.00 0.00 H new ATOM 0 HA CYS A 37 6.349 -8.001 7.557 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.280 -6.925 4.892 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.243 -8.626 5.313 1.00 0.00 H new ATOM 0 HG CYS A 37 4.303 -7.335 6.144 1.00 0.00 H new ATOM 569 N THR A 38 8.813 -8.685 7.695 1.00 0.00 N ATOM 570 CA THR A 38 10.172 -8.972 8.124 1.00 0.00 C ATOM 571 C THR A 38 11.163 -8.651 7.004 1.00 0.00 C ATOM 572 O THR A 38 12.331 -8.367 7.266 1.00 0.00 O ATOM 573 CB THR A 38 10.225 -10.430 8.584 1.00 0.00 C ATOM 574 OG1 THR A 38 11.616 -10.691 8.749 1.00 0.00 O ATOM 575 CG2 THR A 38 9.790 -11.406 7.489 1.00 0.00 C ATOM 0 H THR A 38 8.209 -9.503 7.615 1.00 0.00 H new ATOM 0 HA THR A 38 10.464 -8.341 8.964 1.00 0.00 H new ATOM 0 HB THR A 38 9.587 -10.558 9.458 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.742 -11.616 9.048 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.846 -12.426 7.868 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.765 -11.185 7.191 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.449 -11.302 6.627 1.00 0.00 H new ATOM 583 N GLY A 39 10.662 -8.709 5.779 1.00 0.00 N ATOM 584 CA GLY A 39 11.489 -8.429 4.617 1.00 0.00 C ATOM 585 C GLY A 39 10.987 -9.191 3.389 1.00 0.00 C ATOM 586 O GLY A 39 10.824 -8.610 2.317 1.00 0.00 O ATOM 0 H GLY A 39 9.693 -8.946 5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.484 -7.358 4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.522 -8.709 4.826 1.00 0.00 H new ATOM 590 N PHE A 40 10.755 -10.481 3.587 1.00 0.00 N ATOM 591 CA PHE A 40 10.275 -11.328 2.509 1.00 0.00 C ATOM 592 C PHE A 40 8.909 -10.856 2.007 1.00 0.00 C ATOM 593 O PHE A 40 8.778 -10.434 0.859 1.00 0.00 O ATOM 594 CB PHE A 40 10.134 -12.741 3.080 1.00 0.00 C ATOM 595 CG PHE A 40 10.390 -13.853 2.061 1.00 0.00 C ATOM 596 CD1 PHE A 40 9.752 -13.834 0.860 1.00 0.00 C ATOM 597 CD2 PHE A 40 11.255 -14.859 2.356 1.00 0.00 C ATOM 598 CE1 PHE A 40 9.989 -14.866 -0.086 1.00 0.00 C ATOM 599 CE2 PHE A 40 11.493 -15.891 1.409 1.00 0.00 C ATOM 600 CZ PHE A 40 10.854 -15.873 0.209 1.00 0.00 C ATOM 0 H PHE A 40 10.891 -10.959 4.478 1.00 0.00 H new ATOM 0 HA PHE A 40 10.972 -11.294 1.671 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.830 -12.857 3.911 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.129 -12.859 3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.065 -13.034 0.626 1.00 0.00 H new ATOM 0 HD2 PHE A 40 11.761 -14.874 3.310 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.482 -14.851 -1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 40 12.181 -16.690 1.642 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.033 -16.659 -0.510 1.00 0.00 H new ATOM 610 N GLN A 41 7.927 -10.941 2.891 1.00 0.00 N ATOM 611 CA GLN A 41 6.576 -10.527 2.552 1.00 0.00 C ATOM 612 C GLN A 41 6.588 -9.123 1.945 1.00 0.00 C ATOM 613 O GLN A 41 5.753 -8.800 1.101 1.00 0.00 O ATOM 614 CB GLN A 41 5.660 -10.588 3.776 1.00 0.00 C ATOM 615 CG GLN A 41 5.109 -12.000 3.980 1.00 0.00 C ATOM 616 CD GLN A 41 5.312 -12.465 5.423 1.00 0.00 C ATOM 617 OE1 GLN A 41 6.412 -12.763 5.858 1.00 0.00 O ATOM 618 NE2 GLN A 41 4.192 -12.510 6.139 1.00 0.00 N ATOM 0 H GLN A 41 8.040 -11.291 3.843 1.00 0.00 H new ATOM 0 HA GLN A 41 6.180 -11.219 1.809 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.212 -10.278 4.663 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.835 -9.886 3.652 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.047 -12.019 3.734 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.606 -12.690 3.298 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.303 -12.247 5.713 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.222 -12.808 7.114 1.00 0.00 H new ATOM 627 N ARG A 42 7.544 -8.326 2.397 1.00 0.00 N ATOM 628 CA ARG A 42 7.676 -6.963 1.909 1.00 0.00 C ATOM 629 C ARG A 42 7.909 -6.962 0.396 1.00 0.00 C ATOM 630 O ARG A 42 7.204 -6.276 -0.343 1.00 0.00 O ATOM 631 CB ARG A 42 8.836 -6.241 2.597 1.00 0.00 C ATOM 632 CG ARG A 42 8.827 -4.748 2.265 1.00 0.00 C ATOM 633 CD ARG A 42 10.226 -4.263 1.881 1.00 0.00 C ATOM 634 NE ARG A 42 10.579 -4.752 0.530 1.00 0.00 N ATOM 635 CZ ARG A 42 11.771 -4.561 -0.051 1.00 0.00 C ATOM 636 NH1 ARG A 42 12.733 -3.890 0.598 1.00 0.00 N ATOM 637 NH2 ARG A 42 12.002 -5.040 -1.281 1.00 0.00 N ATOM 0 H ARG A 42 8.235 -8.597 3.096 1.00 0.00 H new ATOM 0 HA ARG A 42 6.749 -6.437 2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.765 -6.378 3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.782 -6.682 2.281 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.135 -4.558 1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.465 -4.183 3.124 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.261 -3.174 1.903 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.956 -4.620 2.608 1.00 0.00 H new ATOM 0 HE ARG A 42 9.870 -5.267 0.008 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.557 -3.525 1.534 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.641 -3.745 0.156 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.270 -5.550 -1.775 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.910 -4.894 -1.723 1.00 0.00 H new ATOM 651 N LYS A 43 8.900 -7.737 -0.018 1.00 0.00 N ATOM 652 CA LYS A 43 9.234 -7.833 -1.429 1.00 0.00 C ATOM 653 C LYS A 43 8.009 -8.315 -2.208 1.00 0.00 C ATOM 654 O LYS A 43 7.787 -7.898 -3.343 1.00 0.00 O ATOM 655 CB LYS A 43 10.472 -8.710 -1.627 1.00 0.00 C ATOM 656 CG LYS A 43 10.077 -10.136 -2.017 1.00 0.00 C ATOM 657 CD LYS A 43 11.312 -10.975 -2.351 1.00 0.00 C ATOM 658 CE LYS A 43 11.166 -11.647 -3.718 1.00 0.00 C ATOM 659 NZ LYS A 43 12.480 -12.123 -4.205 1.00 0.00 N ATOM 0 H LYS A 43 9.482 -8.304 0.598 1.00 0.00 H new ATOM 0 HA LYS A 43 9.498 -6.853 -1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 43 11.107 -8.280 -2.402 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.059 -8.730 -0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.527 -10.601 -1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.408 -10.110 -2.877 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.199 -10.341 -2.346 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.459 -11.734 -1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.473 -12.485 -3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.740 -10.942 -4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.363 -12.576 -5.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.131 -11.316 -4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.872 -12.811 -3.531 1.00 0.00 H new ATOM 673 N LEU A 44 7.244 -9.186 -1.566 1.00 0.00 N ATOM 674 CA LEU A 44 6.047 -9.729 -2.184 1.00 0.00 C ATOM 675 C LEU A 44 5.090 -8.585 -2.523 1.00 0.00 C ATOM 676 O LEU A 44 4.756 -8.374 -3.688 1.00 0.00 O ATOM 677 CB LEU A 44 5.425 -10.807 -1.293 1.00 0.00 C ATOM 678 CG LEU A 44 6.374 -11.904 -0.807 1.00 0.00 C ATOM 679 CD1 LEU A 44 5.637 -12.915 0.074 1.00 0.00 C ATOM 680 CD2 LEU A 44 7.081 -12.578 -1.984 1.00 0.00 C ATOM 0 H LEU A 44 7.430 -9.529 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 44 6.295 -10.227 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.986 -10.321 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.608 -11.277 -1.841 1.00 0.00 H new ATOM 0 HG LEU A 44 7.145 -11.441 -0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.334 -13.684 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.219 -12.405 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.832 -13.377 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.750 -13.354 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.340 -13.026 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.658 -11.836 -2.535 1.00 0.00 H new ATOM 692 N ILE A 45 4.675 -7.875 -1.484 1.00 0.00 N ATOM 693 CA ILE A 45 3.763 -6.757 -1.657 1.00 0.00 C ATOM 694 C ILE A 45 4.204 -5.927 -2.865 1.00 0.00 C ATOM 695 O ILE A 45 3.420 -5.696 -3.784 1.00 0.00 O ATOM 696 CB ILE A 45 3.654 -5.949 -0.363 1.00 0.00 C ATOM 697 CG1 ILE A 45 3.023 -6.785 0.753 1.00 0.00 C ATOM 698 CG2 ILE A 45 2.897 -4.640 -0.596 1.00 0.00 C ATOM 699 CD1 ILE A 45 3.096 -6.052 2.095 1.00 0.00 C ATOM 0 H ILE A 45 4.954 -8.052 -0.519 1.00 0.00 H new ATOM 0 HA ILE A 45 2.756 -7.116 -1.867 1.00 0.00 H new ATOM 0 HB ILE A 45 4.661 -5.685 -0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.983 -7.000 0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.537 -7.743 0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.834 -4.085 0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.425 -4.041 -1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.892 -4.860 -0.956 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.641 -6.667 2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.139 -5.860 2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.561 -5.105 2.022 1.00 0.00 H new ATOM 711 N TYR A 46 5.458 -5.501 -2.823 1.00 0.00 N ATOM 712 CA TYR A 46 6.013 -4.701 -3.902 1.00 0.00 C ATOM 713 C TYR A 46 6.013 -5.481 -5.218 1.00 0.00 C ATOM 714 O TYR A 46 5.827 -4.902 -6.287 1.00 0.00 O ATOM 715 CB TYR A 46 7.458 -4.398 -3.502 1.00 0.00 C ATOM 716 CG TYR A 46 7.600 -3.247 -2.505 1.00 0.00 C ATOM 717 CD1 TYR A 46 7.243 -1.966 -2.874 1.00 0.00 C ATOM 718 CD2 TYR A 46 8.084 -3.490 -1.235 1.00 0.00 C ATOM 719 CE1 TYR A 46 7.376 -0.883 -1.935 1.00 0.00 C ATOM 720 CE2 TYR A 46 8.217 -2.406 -0.296 1.00 0.00 C ATOM 721 CZ TYR A 46 7.857 -1.156 -0.692 1.00 0.00 C ATOM 722 OH TYR A 46 7.982 -0.133 0.195 1.00 0.00 O ATOM 0 H TYR A 46 6.105 -5.695 -2.059 1.00 0.00 H new ATOM 0 HA TYR A 46 5.423 -3.797 -4.053 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.900 -5.296 -3.070 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.030 -4.161 -4.399 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.864 -1.776 -3.867 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.363 -4.493 -0.946 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.100 0.124 -2.211 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.594 -2.582 0.701 1.00 0.00 H new ATOM 0 HH TYR A 46 8.659 -0.362 0.866 1.00 0.00 H new ATOM 732 N GLN A 47 6.225 -6.784 -5.097 1.00 0.00 N ATOM 733 CA GLN A 47 6.252 -7.649 -6.264 1.00 0.00 C ATOM 734 C GLN A 47 4.864 -7.720 -6.905 1.00 0.00 C ATOM 735 O GLN A 47 4.743 -7.780 -8.127 1.00 0.00 O ATOM 736 CB GLN A 47 6.759 -9.046 -5.899 1.00 0.00 C ATOM 737 CG GLN A 47 8.172 -9.274 -6.439 1.00 0.00 C ATOM 738 CD GLN A 47 8.136 -9.690 -7.911 1.00 0.00 C ATOM 739 OE1 GLN A 47 7.793 -10.808 -8.259 1.00 0.00 O ATOM 740 NE2 GLN A 47 8.507 -8.730 -8.754 1.00 0.00 N ATOM 0 H GLN A 47 6.380 -7.261 -4.209 1.00 0.00 H new ATOM 0 HA GLN A 47 6.945 -7.225 -6.991 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.756 -9.166 -4.816 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.084 -9.799 -6.305 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.759 -8.362 -6.329 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.670 -10.046 -5.851 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.783 -7.815 -8.396 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.516 -8.908 -9.758 1.00 0.00 H new ATOM 749 N THR A 48 3.851 -7.711 -6.050 1.00 0.00 N ATOM 750 CA THR A 48 2.477 -7.773 -6.517 1.00 0.00 C ATOM 751 C THR A 48 2.020 -6.400 -7.014 1.00 0.00 C ATOM 752 O THR A 48 1.745 -6.226 -8.201 1.00 0.00 O ATOM 753 CB THR A 48 1.615 -8.325 -5.380 1.00 0.00 C ATOM 754 OG1 THR A 48 1.893 -9.723 -5.381 1.00 0.00 O ATOM 755 CG2 THR A 48 0.119 -8.242 -5.686 1.00 0.00 C ATOM 0 H THR A 48 3.955 -7.662 -5.037 1.00 0.00 H new ATOM 0 HA THR A 48 2.380 -8.442 -7.372 1.00 0.00 H new ATOM 0 HB THR A 48 1.828 -7.776 -4.463 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.412 -9.954 -4.582 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.447 -8.647 -4.847 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.163 -7.201 -5.845 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.101 -8.819 -6.584 1.00 0.00 H new ATOM 763 N LEU A 49 1.953 -5.461 -6.082 1.00 0.00 N ATOM 764 CA LEU A 49 1.534 -4.109 -6.411 1.00 0.00 C ATOM 765 C LEU A 49 2.307 -3.625 -7.640 1.00 0.00 C ATOM 766 O LEU A 49 1.844 -2.741 -8.360 1.00 0.00 O ATOM 767 CB LEU A 49 1.678 -3.193 -5.194 1.00 0.00 C ATOM 768 CG LEU A 49 0.985 -3.665 -3.914 1.00 0.00 C ATOM 769 CD1 LEU A 49 1.243 -2.693 -2.761 1.00 0.00 C ATOM 770 CD2 LEU A 49 -0.510 -3.889 -4.151 1.00 0.00 C ATOM 0 H LEU A 49 2.182 -5.610 -5.099 1.00 0.00 H new ATOM 0 HA LEU A 49 0.476 -4.091 -6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.740 -3.066 -4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.285 -2.210 -5.455 1.00 0.00 H new ATOM 0 HG LEU A 49 1.413 -4.626 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.740 -3.052 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.315 -2.627 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.859 -1.707 -3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.979 -4.224 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.971 -2.956 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.647 -4.647 -4.922 1.00 0.00 H new ATOM 782 N SER A 50 3.471 -4.224 -7.841 1.00 0.00 N ATOM 783 CA SER A 50 4.312 -3.865 -8.970 1.00 0.00 C ATOM 784 C SER A 50 3.511 -3.960 -10.270 1.00 0.00 C ATOM 785 O SER A 50 3.625 -3.095 -11.138 1.00 0.00 O ATOM 786 CB SER A 50 5.550 -4.762 -9.043 1.00 0.00 C ATOM 787 OG SER A 50 5.951 -5.011 -10.387 1.00 0.00 O ATOM 0 H SER A 50 3.852 -4.956 -7.241 1.00 0.00 H new ATOM 0 HA SER A 50 4.649 -2.838 -8.832 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.371 -4.292 -8.501 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.341 -5.709 -8.546 1.00 0.00 H new ATOM 0 HG SER A 50 6.745 -5.586 -10.390 1.00 0.00 H new ATOM 793 N TRP A 51 2.720 -5.018 -10.365 1.00 0.00 N ATOM 794 CA TRP A 51 1.900 -5.237 -11.545 1.00 0.00 C ATOM 795 C TRP A 51 0.437 -5.033 -11.148 1.00 0.00 C ATOM 796 O TRP A 51 -0.375 -4.594 -11.961 1.00 0.00 O ATOM 797 CB TRP A 51 2.169 -6.615 -12.151 1.00 0.00 C ATOM 798 CG TRP A 51 2.173 -7.755 -11.130 1.00 0.00 C ATOM 799 CD1 TRP A 51 3.228 -8.316 -10.524 1.00 0.00 C ATOM 800 CD2 TRP A 51 1.019 -8.452 -10.616 1.00 0.00 C ATOM 801 NE1 TRP A 51 2.841 -9.321 -9.661 1.00 0.00 N ATOM 802 CE2 TRP A 51 1.454 -9.406 -9.719 1.00 0.00 C ATOM 803 CE3 TRP A 51 -0.348 -8.283 -10.899 1.00 0.00 C ATOM 804 CZ2 TRP A 51 0.588 -10.265 -9.032 1.00 0.00 C ATOM 805 CZ3 TRP A 51 -1.201 -9.150 -10.205 1.00 0.00 C ATOM 806 CH2 TRP A 51 -0.778 -10.115 -9.299 1.00 0.00 C ATOM 0 H TRP A 51 2.629 -5.734 -9.644 1.00 0.00 H new ATOM 0 HA TRP A 51 2.151 -4.521 -12.328 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.412 -6.822 -12.908 1.00 0.00 H new ATOM 0 HB3 TRP A 51 3.132 -6.594 -12.661 1.00 0.00 H new ATOM 0 HD1 TRP A 51 4.253 -8.019 -10.690 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.458 -9.895 -9.087 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.711 -7.543 -11.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.954 -11.003 -8.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.262 -9.063 -10.387 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -1.500 -10.747 -8.803 1.00 0.00 H new ATOM 817 N LYS A 52 0.144 -5.362 -9.898 1.00 0.00 N ATOM 818 CA LYS A 52 -1.208 -5.221 -9.384 1.00 0.00 C ATOM 819 C LYS A 52 -1.639 -3.757 -9.493 1.00 0.00 C ATOM 820 O LYS A 52 -2.794 -3.468 -9.805 1.00 0.00 O ATOM 821 CB LYS A 52 -1.303 -5.787 -7.966 1.00 0.00 C ATOM 822 CG LYS A 52 -1.864 -7.210 -7.980 1.00 0.00 C ATOM 823 CD LYS A 52 -2.789 -7.447 -6.784 1.00 0.00 C ATOM 824 CE LYS A 52 -4.257 -7.444 -7.217 1.00 0.00 C ATOM 825 NZ LYS A 52 -4.847 -8.792 -7.058 1.00 0.00 N ATOM 0 H LYS A 52 0.820 -5.726 -9.226 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.907 -5.805 -9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.316 -5.786 -7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.941 -5.147 -7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.412 -7.380 -8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.044 -7.928 -7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.546 -8.401 -6.315 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.626 -6.673 -6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.817 -6.723 -6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.335 -7.127 -8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.803 -8.707 -6.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.900 -9.259 -7.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.253 -9.358 -6.419 1.00 0.00 H new ATOM 839 N TYR A 53 -0.690 -2.872 -9.228 1.00 0.00 N ATOM 840 CA TYR A 53 -0.958 -1.445 -9.292 1.00 0.00 C ATOM 841 C TYR A 53 0.316 -0.662 -9.617 1.00 0.00 C ATOM 842 O TYR A 53 0.951 -0.105 -8.723 1.00 0.00 O ATOM 843 CB TYR A 53 -1.447 -1.045 -7.899 1.00 0.00 C ATOM 844 CG TYR A 53 -2.629 -1.875 -7.393 1.00 0.00 C ATOM 845 CD1 TYR A 53 -3.918 -1.521 -7.736 1.00 0.00 C ATOM 846 CD2 TYR A 53 -2.405 -2.977 -6.593 1.00 0.00 C ATOM 847 CE1 TYR A 53 -5.030 -2.302 -7.259 1.00 0.00 C ATOM 848 CE2 TYR A 53 -3.517 -3.758 -6.116 1.00 0.00 C ATOM 849 CZ TYR A 53 -4.775 -3.382 -6.473 1.00 0.00 C ATOM 850 OH TYR A 53 -5.825 -4.119 -6.023 1.00 0.00 O ATOM 0 H TYR A 53 0.266 -3.115 -8.968 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.689 -1.226 -10.070 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.621 -1.140 -7.194 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.734 0.006 -7.914 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.093 -0.658 -8.362 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.396 -3.254 -6.325 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.044 -2.036 -7.520 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.356 -4.623 -5.489 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.558 -4.075 -6.672 1.00 0.00 H new ATOM 860 N PRO A 54 0.661 -0.645 -10.932 1.00 0.00 N ATOM 861 CA PRO A 54 1.848 0.060 -11.386 1.00 0.00 C ATOM 862 C PRO A 54 1.618 1.573 -11.390 1.00 0.00 C ATOM 863 O PRO A 54 2.498 2.339 -11.001 1.00 0.00 O ATOM 864 CB PRO A 54 2.135 -0.501 -12.769 1.00 0.00 C ATOM 865 CG PRO A 54 0.843 -1.157 -13.229 1.00 0.00 C ATOM 866 CD PRO A 54 -0.067 -1.294 -12.019 1.00 0.00 C ATOM 0 HA PRO A 54 2.703 -0.088 -10.726 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.438 0.289 -13.456 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.950 -1.224 -12.736 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.363 -0.555 -14.001 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.046 -2.134 -13.667 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.031 -0.815 -12.192 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.268 -2.341 -11.791 1.00 0.00 H new ATOM 874 N LYS A 55 0.431 1.958 -11.835 1.00 0.00 N ATOM 875 CA LYS A 55 0.075 3.365 -11.896 1.00 0.00 C ATOM 876 C LYS A 55 -1.333 3.555 -11.327 1.00 0.00 C ATOM 877 O LYS A 55 -2.311 3.090 -11.912 1.00 0.00 O ATOM 878 CB LYS A 55 0.240 3.899 -13.320 1.00 0.00 C ATOM 879 CG LYS A 55 -0.624 3.109 -14.305 1.00 0.00 C ATOM 880 CD LYS A 55 0.244 2.387 -15.338 1.00 0.00 C ATOM 881 CE LYS A 55 0.472 3.264 -16.571 1.00 0.00 C ATOM 882 NZ LYS A 55 1.020 2.459 -17.686 1.00 0.00 N ATOM 0 H LYS A 55 -0.297 1.320 -12.157 1.00 0.00 H new ATOM 0 HA LYS A 55 0.752 3.956 -11.279 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.037 4.953 -13.352 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.287 3.836 -13.617 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.230 2.383 -13.762 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.314 3.784 -14.812 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.203 2.124 -14.892 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.237 1.455 -15.634 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.468 3.725 -16.875 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.160 4.073 -16.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.169 3.070 -18.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.927 2.039 -17.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.350 1.702 -17.930 1.00 0.00 H new ATOM 896 N GLY A 56 -1.392 4.240 -10.194 1.00 0.00 N ATOM 897 CA GLY A 56 -2.664 4.497 -9.540 1.00 0.00 C ATOM 898 C GLY A 56 -2.467 4.775 -8.049 1.00 0.00 C ATOM 899 O GLY A 56 -3.215 5.550 -7.454 1.00 0.00 O ATOM 0 H GLY A 56 -0.579 4.625 -9.712 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.154 5.349 -10.011 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.324 3.639 -9.670 1.00 0.00 H new ATOM 903 N ILE A 57 -1.457 4.127 -7.487 1.00 0.00 N ATOM 904 CA ILE A 57 -1.153 4.295 -6.076 1.00 0.00 C ATOM 905 C ILE A 57 0.347 4.550 -5.909 1.00 0.00 C ATOM 906 O ILE A 57 1.122 4.353 -6.844 1.00 0.00 O ATOM 907 CB ILE A 57 -1.666 3.099 -5.272 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.352 1.782 -5.985 1.00 0.00 C ATOM 909 CG2 ILE A 57 -3.158 3.243 -4.966 1.00 0.00 C ATOM 910 CD1 ILE A 57 0.142 1.670 -6.297 1.00 0.00 C ATOM 0 H ILE A 57 -0.839 3.485 -7.983 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.672 5.166 -5.675 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.141 3.081 -4.317 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.661 0.944 -5.360 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.926 1.719 -6.909 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.497 2.380 -4.394 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.325 4.151 -4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.717 3.301 -5.900 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.338 0.725 -6.804 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.442 2.496 -6.941 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.712 1.709 -5.368 1.00 0.00 H new ATOM 922 N HIS A 58 0.711 4.986 -4.712 1.00 0.00 N ATOM 923 CA HIS A 58 2.103 5.271 -4.411 1.00 0.00 C ATOM 924 C HIS A 58 2.510 4.543 -3.128 1.00 0.00 C ATOM 925 O HIS A 58 2.039 4.880 -2.043 1.00 0.00 O ATOM 926 CB HIS A 58 2.346 6.780 -4.338 1.00 0.00 C ATOM 927 CG HIS A 58 3.554 7.169 -3.520 1.00 0.00 C ATOM 928 ND1 HIS A 58 4.742 7.591 -4.090 1.00 0.00 N ATOM 929 CD2 HIS A 58 3.744 7.196 -2.169 1.00 0.00 C ATOM 930 CE1 HIS A 58 5.601 7.857 -3.118 1.00 0.00 C ATOM 931 NE2 HIS A 58 4.981 7.611 -1.928 1.00 0.00 N ATOM 0 H HIS A 58 0.066 5.149 -3.939 1.00 0.00 H new ATOM 0 HA HIS A 58 2.736 4.898 -5.216 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.465 7.168 -5.350 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.464 7.260 -3.915 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.012 6.925 -1.423 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.615 8.207 -3.245 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.399 7.727 -1.005 1.00 0.00 H new ATOM 939 N VAL A 59 3.380 3.557 -3.295 1.00 0.00 N ATOM 940 CA VAL A 59 3.855 2.779 -2.164 1.00 0.00 C ATOM 941 C VAL A 59 5.124 3.424 -1.603 1.00 0.00 C ATOM 942 O VAL A 59 6.043 3.750 -2.354 1.00 0.00 O ATOM 943 CB VAL A 59 4.061 1.321 -2.582 1.00 0.00 C ATOM 944 CG1 VAL A 59 4.406 0.448 -1.374 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.830 0.782 -3.314 1.00 0.00 C ATOM 0 H VAL A 59 3.768 3.280 -4.197 1.00 0.00 H new ATOM 0 HA VAL A 59 3.113 2.774 -1.366 1.00 0.00 H new ATOM 0 HB VAL A 59 4.904 1.286 -3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.547 -0.583 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.324 0.812 -0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.593 0.492 -0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.002 -0.256 -3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.962 0.838 -2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.647 1.379 -4.207 1.00 0.00 H new ATOM 955 N GLU A 60 5.133 3.591 -0.289 1.00 0.00 N ATOM 956 CA GLU A 60 6.274 4.192 0.381 1.00 0.00 C ATOM 957 C GLU A 60 6.535 3.492 1.716 1.00 0.00 C ATOM 958 O GLU A 60 5.611 2.969 2.338 1.00 0.00 O ATOM 959 CB GLU A 60 6.064 5.694 0.581 1.00 0.00 C ATOM 960 CG GLU A 60 4.672 5.981 1.150 1.00 0.00 C ATOM 961 CD GLU A 60 4.224 7.404 0.808 1.00 0.00 C ATOM 962 OE1 GLU A 60 5.121 8.259 0.649 1.00 0.00 O ATOM 963 OE2 GLU A 60 2.993 7.603 0.712 1.00 0.00 O ATOM 0 H GLU A 60 4.369 3.321 0.330 1.00 0.00 H new ATOM 0 HA GLU A 60 7.152 4.063 -0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.825 6.085 1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.186 6.212 -0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.956 5.264 0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.683 5.849 2.232 1.00 0.00 H new ATOM 970 N THR A 61 7.798 3.504 2.118 1.00 0.00 N ATOM 971 CA THR A 61 8.191 2.877 3.368 1.00 0.00 C ATOM 972 C THR A 61 8.430 3.937 4.445 1.00 0.00 C ATOM 973 O THR A 61 9.444 4.632 4.423 1.00 0.00 O ATOM 974 CB THR A 61 9.417 2.004 3.093 1.00 0.00 C ATOM 975 OG1 THR A 61 8.957 1.048 2.142 1.00 0.00 O ATOM 976 CG2 THR A 61 9.819 1.160 4.305 1.00 0.00 C ATOM 0 H THR A 61 8.562 3.938 1.600 1.00 0.00 H new ATOM 0 HA THR A 61 7.398 2.238 3.756 1.00 0.00 H new ATOM 0 HB THR A 61 10.254 2.637 2.798 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.897 1.468 1.259 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.694 0.559 4.056 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.055 1.816 5.143 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.994 0.503 4.580 1.00 0.00 H new ATOM 984 N LEU A 62 7.477 4.029 5.361 1.00 0.00 N ATOM 985 CA LEU A 62 7.570 4.992 6.444 1.00 0.00 C ATOM 986 C LEU A 62 8.066 4.287 7.708 1.00 0.00 C ATOM 987 O LEU A 62 7.653 3.166 8.000 1.00 0.00 O ATOM 988 CB LEU A 62 6.238 5.721 6.630 1.00 0.00 C ATOM 989 CG LEU A 62 5.619 6.320 5.365 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.145 6.664 5.586 1.00 0.00 C ATOM 991 CD2 LEU A 62 6.423 7.528 4.881 1.00 0.00 C ATOM 0 H LEU A 62 6.636 3.452 5.375 1.00 0.00 H new ATOM 0 HA LEU A 62 8.299 5.765 6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.522 5.024 7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.383 6.523 7.354 1.00 0.00 H new ATOM 0 HG LEU A 62 5.659 5.569 4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.729 7.088 4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.596 5.760 5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.058 7.390 6.395 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.962 7.935 3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.436 8.292 5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.444 7.220 4.658 1.00 0.00 H new ATOM 1003 N GLU A 63 8.946 4.972 8.424 1.00 0.00 N ATOM 1004 CA GLU A 63 9.503 4.425 9.649 1.00 0.00 C ATOM 1005 C GLU A 63 9.262 5.384 10.816 1.00 0.00 C ATOM 1006 O GLU A 63 9.587 6.568 10.729 1.00 0.00 O ATOM 1007 CB GLU A 63 10.993 4.123 9.487 1.00 0.00 C ATOM 1008 CG GLU A 63 11.589 3.585 10.789 1.00 0.00 C ATOM 1009 CD GLU A 63 12.966 4.196 11.056 1.00 0.00 C ATOM 1010 OE1 GLU A 63 12.995 5.282 11.674 1.00 0.00 O ATOM 1011 OE2 GLU A 63 13.959 3.563 10.636 1.00 0.00 O ATOM 0 H GLU A 63 9.287 5.902 8.179 1.00 0.00 H new ATOM 0 HA GLU A 63 8.997 3.484 9.866 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.135 3.394 8.689 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.521 5.029 9.188 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.920 3.810 11.620 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.673 2.500 10.733 1.00 0.00 H new ATOM 1018 N THR A 64 8.694 4.839 11.882 1.00 0.00 N ATOM 1019 CA THR A 64 8.405 5.631 13.065 1.00 0.00 C ATOM 1020 C THR A 64 9.132 5.056 14.282 1.00 0.00 C ATOM 1021 O THR A 64 10.209 4.476 14.150 1.00 0.00 O ATOM 1022 CB THR A 64 6.886 5.690 13.236 1.00 0.00 C ATOM 1023 OG1 THR A 64 6.534 4.378 13.666 1.00 0.00 O ATOM 1024 CG2 THR A 64 6.153 5.855 11.903 1.00 0.00 C ATOM 0 H THR A 64 8.426 3.857 11.951 1.00 0.00 H new ATOM 0 HA THR A 64 8.774 6.651 12.958 1.00 0.00 H new ATOM 0 HB THR A 64 6.627 6.517 13.897 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.471 4.360 14.644 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.078 5.891 12.081 1.00 0.00 H new ATOM 0 HG22 THR A 64 6.473 6.780 11.424 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.385 5.011 11.253 1.00 0.00 H new ATOM 1032 N ASP A 65 8.513 5.236 15.440 1.00 0.00 N ATOM 1033 CA ASP A 65 9.087 4.742 16.680 1.00 0.00 C ATOM 1034 C ASP A 65 8.538 3.344 16.970 1.00 0.00 C ATOM 1035 O ASP A 65 9.291 2.372 17.005 1.00 0.00 O ATOM 1036 CB ASP A 65 8.720 5.648 17.857 1.00 0.00 C ATOM 1037 CG ASP A 65 8.815 4.989 19.234 1.00 0.00 C ATOM 1038 OD1 ASP A 65 9.961 4.727 19.659 1.00 0.00 O ATOM 1039 OD2 ASP A 65 7.741 4.763 19.831 1.00 0.00 O ATOM 0 H ASP A 65 7.620 5.717 15.545 1.00 0.00 H new ATOM 0 HA ASP A 65 10.171 4.722 16.565 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.374 6.520 17.842 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.702 6.010 17.714 1.00 0.00 H new ATOM 1044 N LYS A 66 7.229 3.287 17.171 1.00 0.00 N ATOM 1045 CA LYS A 66 6.570 2.024 17.457 1.00 0.00 C ATOM 1046 C LYS A 66 6.149 1.364 16.142 1.00 0.00 C ATOM 1047 O LYS A 66 6.302 0.156 15.973 1.00 0.00 O ATOM 1048 CB LYS A 66 5.415 2.232 18.438 1.00 0.00 C ATOM 1049 CG LYS A 66 4.368 3.185 17.857 1.00 0.00 C ATOM 1050 CD LYS A 66 3.103 3.200 18.718 1.00 0.00 C ATOM 1051 CE LYS A 66 1.949 2.489 18.009 1.00 0.00 C ATOM 1052 NZ LYS A 66 0.886 3.456 17.652 1.00 0.00 N ATOM 0 H LYS A 66 6.607 4.095 17.141 1.00 0.00 H new ATOM 0 HA LYS A 66 7.258 1.339 17.952 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.951 1.273 18.668 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.798 2.634 19.376 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.782 4.191 17.795 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.117 2.880 16.841 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.303 2.714 19.673 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.820 4.230 18.938 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.316 1.995 17.110 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.540 1.712 18.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.110 2.957 17.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.524 3.909 18.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.276 4.182 17.018 1.00 0.00 H new ATOM 1066 N LYS A 67 5.627 2.188 15.245 1.00 0.00 N ATOM 1067 CA LYS A 67 5.182 1.699 13.950 1.00 0.00 C ATOM 1068 C LYS A 67 6.356 1.031 13.232 1.00 0.00 C ATOM 1069 O LYS A 67 6.232 -0.092 12.744 1.00 0.00 O ATOM 1070 CB LYS A 67 4.532 2.827 13.147 1.00 0.00 C ATOM 1071 CG LYS A 67 3.224 2.359 12.505 1.00 0.00 C ATOM 1072 CD LYS A 67 2.234 3.518 12.368 1.00 0.00 C ATOM 1073 CE LYS A 67 0.818 3.001 12.107 1.00 0.00 C ATOM 1074 NZ LYS A 67 -0.178 3.848 12.800 1.00 0.00 N ATOM 0 H LYS A 67 5.502 3.190 15.389 1.00 0.00 H new ATOM 0 HA LYS A 67 4.409 0.940 14.074 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.337 3.678 13.800 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.219 3.170 12.373 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.429 1.933 11.523 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.781 1.567 13.109 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.244 4.119 13.277 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.543 4.171 11.551 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.618 2.996 11.036 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.731 1.971 12.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.134 3.484 12.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.004 3.831 13.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.105 4.825 12.451 1.00 0.00 H new ATOM 1088 N GLU A 68 7.469 1.748 13.189 1.00 0.00 N ATOM 1089 CA GLU A 68 8.664 1.239 12.539 1.00 0.00 C ATOM 1090 C GLU A 68 8.447 1.146 11.027 1.00 0.00 C ATOM 1091 O GLU A 68 7.321 1.279 10.549 1.00 0.00 O ATOM 1092 CB GLU A 68 9.067 -0.119 13.118 1.00 0.00 C ATOM 1093 CG GLU A 68 10.187 0.037 14.149 1.00 0.00 C ATOM 1094 CD GLU A 68 11.030 -1.238 14.239 1.00 0.00 C ATOM 1095 OE1 GLU A 68 10.706 -2.186 13.493 1.00 0.00 O ATOM 1096 OE2 GLU A 68 11.978 -1.234 15.053 1.00 0.00 O ATOM 0 H GLU A 68 7.568 2.679 13.594 1.00 0.00 H new ATOM 0 HA GLU A 68 9.481 1.935 12.728 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.202 -0.591 13.584 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.396 -0.778 12.315 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.823 0.879 13.876 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.759 0.264 15.125 1.00 0.00 H new ATOM 1103 N ARG A 69 9.542 0.919 10.317 1.00 0.00 N ATOM 1104 CA ARG A 69 9.486 0.808 8.869 1.00 0.00 C ATOM 1105 C ARG A 69 8.313 -0.082 8.451 1.00 0.00 C ATOM 1106 O ARG A 69 8.351 -1.296 8.644 1.00 0.00 O ATOM 1107 CB ARG A 69 10.785 0.223 8.311 1.00 0.00 C ATOM 1108 CG ARG A 69 10.598 -0.247 6.867 1.00 0.00 C ATOM 1109 CD ARG A 69 10.599 -1.775 6.784 1.00 0.00 C ATOM 1110 NE ARG A 69 10.986 -2.208 5.423 1.00 0.00 N ATOM 1111 CZ ARG A 69 12.243 -2.188 4.957 1.00 0.00 C ATOM 1112 NH1 ARG A 69 13.241 -1.756 5.741 1.00 0.00 N ATOM 1113 NH2 ARG A 69 12.502 -2.599 3.709 1.00 0.00 N ATOM 0 H ARG A 69 10.474 0.809 10.717 1.00 0.00 H new ATOM 0 HA ARG A 69 9.349 1.811 8.464 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.574 0.974 8.354 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.107 -0.614 8.931 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.659 0.142 6.473 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.396 0.155 6.243 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.293 -2.187 7.517 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.610 -2.161 7.030 1.00 0.00 H new ATOM 0 HE ARG A 69 10.251 -2.543 4.800 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.044 -1.443 6.691 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.197 -1.741 5.387 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.743 -2.927 3.112 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.459 -2.583 3.355 1.00 0.00 H new ATOM 1127 N HIS A 70 7.299 0.557 7.886 1.00 0.00 N ATOM 1128 CA HIS A 70 6.118 -0.161 7.438 1.00 0.00 C ATOM 1129 C HIS A 70 5.691 0.359 6.064 1.00 0.00 C ATOM 1130 O HIS A 70 5.834 1.546 5.773 1.00 0.00 O ATOM 1131 CB HIS A 70 5.001 -0.070 8.479 1.00 0.00 C ATOM 1132 CG HIS A 70 4.215 1.218 8.427 1.00 0.00 C ATOM 1133 ND1 HIS A 70 2.902 1.313 8.854 1.00 0.00 N ATOM 1134 CD2 HIS A 70 4.570 2.462 7.994 1.00 0.00 C ATOM 1135 CE1 HIS A 70 2.495 2.562 8.681 1.00 0.00 C ATOM 1136 NE2 HIS A 70 3.530 3.272 8.147 1.00 0.00 N ATOM 0 H HIS A 70 7.271 1.564 7.728 1.00 0.00 H new ATOM 0 HA HIS A 70 6.351 -1.220 7.330 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.317 -0.907 8.337 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.435 -0.179 9.473 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.343 0.551 9.237 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.534 2.740 7.594 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.516 2.950 8.921 1.00 0.00 H new ATOM 1144 N ILE A 71 5.176 -0.555 5.255 1.00 0.00 N ATOM 1145 CA ILE A 71 4.727 -0.204 3.918 1.00 0.00 C ATOM 1146 C ILE A 71 3.474 0.668 4.018 1.00 0.00 C ATOM 1147 O ILE A 71 2.562 0.364 4.785 1.00 0.00 O ATOM 1148 CB ILE A 71 4.535 -1.462 3.070 1.00 0.00 C ATOM 1149 CG1 ILE A 71 5.878 -2.133 2.772 1.00 0.00 C ATOM 1150 CG2 ILE A 71 3.756 -1.148 1.791 1.00 0.00 C ATOM 1151 CD1 ILE A 71 5.674 -3.517 2.152 1.00 0.00 C ATOM 0 H ILE A 71 5.060 -1.538 5.499 1.00 0.00 H new ATOM 0 HA ILE A 71 5.486 0.386 3.404 1.00 0.00 H new ATOM 0 HB ILE A 71 3.940 -2.172 3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.458 -1.508 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.455 -2.224 3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.634 -2.060 1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.775 -0.749 2.051 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.303 -0.411 1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.644 -3.972 1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.115 -4.147 2.844 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.118 -3.420 1.220 1.00 0.00 H new ATOM 1163 N VAL A 72 3.469 1.734 3.232 1.00 0.00 N ATOM 1164 CA VAL A 72 2.343 2.652 3.222 1.00 0.00 C ATOM 1165 C VAL A 72 1.963 2.971 1.775 1.00 0.00 C ATOM 1166 O VAL A 72 2.834 3.202 0.937 1.00 0.00 O ATOM 1167 CB VAL A 72 2.678 3.900 4.041 1.00 0.00 C ATOM 1168 CG1 VAL A 72 1.849 5.099 3.577 1.00 0.00 C ATOM 1169 CG2 VAL A 72 2.481 3.644 5.537 1.00 0.00 C ATOM 0 H VAL A 72 4.227 1.983 2.597 1.00 0.00 H new ATOM 0 HA VAL A 72 1.473 2.194 3.693 1.00 0.00 H new ATOM 0 HB VAL A 72 3.730 4.136 3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.107 5.973 4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.060 5.303 2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.789 4.877 3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.726 4.547 6.096 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.443 3.371 5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.134 2.831 5.856 1.00 0.00 H new ATOM 1179 N ILE A 73 0.662 2.973 1.525 1.00 0.00 N ATOM 1180 CA ILE A 73 0.156 3.260 0.193 1.00 0.00 C ATOM 1181 C ILE A 73 -0.541 4.622 0.200 1.00 0.00 C ATOM 1182 O ILE A 73 -1.033 5.067 1.235 1.00 0.00 O ATOM 1183 CB ILE A 73 -0.733 2.117 -0.300 1.00 0.00 C ATOM 1184 CG1 ILE A 73 0.090 0.853 -0.555 1.00 0.00 C ATOM 1185 CG2 ILE A 73 -1.534 2.538 -1.533 1.00 0.00 C ATOM 1186 CD1 ILE A 73 0.247 0.033 0.728 1.00 0.00 C ATOM 0 H ILE A 73 -0.057 2.780 2.222 1.00 0.00 H new ATOM 0 HA ILE A 73 0.977 3.325 -0.521 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.451 1.880 0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.395 0.247 -1.321 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.073 1.126 -0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.158 1.707 -1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.167 3.389 -1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.849 2.818 -2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.836 -0.860 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.754 0.633 1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.737 -0.259 1.096 1.00 0.00 H new ATOM 1198 N SER A 74 -0.559 5.247 -0.969 1.00 0.00 N ATOM 1199 CA SER A 74 -1.188 6.549 -1.111 1.00 0.00 C ATOM 1200 C SER A 74 -2.014 6.594 -2.398 1.00 0.00 C ATOM 1201 O SER A 74 -1.820 5.774 -3.293 1.00 0.00 O ATOM 1202 CB SER A 74 -0.143 7.667 -1.112 1.00 0.00 C ATOM 1203 OG SER A 74 -0.435 8.669 -2.082 1.00 0.00 O ATOM 0 H SER A 74 -0.148 4.876 -1.826 1.00 0.00 H new ATOM 0 HA SER A 74 -1.848 6.705 -0.258 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.098 8.122 -0.123 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.841 7.243 -1.313 1.00 0.00 H new ATOM 0 HG SER A 74 0.254 9.365 -2.050 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.919 7.560 -2.449 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.776 7.723 -3.611 1.00 0.00 C ATOM 1211 C LYS A 75 -3.035 8.534 -4.676 1.00 0.00 C ATOM 1212 O LYS A 75 -2.581 9.646 -4.409 1.00 0.00 O ATOM 1213 CB LYS A 75 -5.122 8.325 -3.204 1.00 0.00 C ATOM 1214 CG LYS A 75 -6.098 7.235 -2.757 1.00 0.00 C ATOM 1215 CD LYS A 75 -7.503 7.806 -2.554 1.00 0.00 C ATOM 1216 CE LYS A 75 -8.552 6.944 -3.258 1.00 0.00 C ATOM 1217 NZ LYS A 75 -9.303 7.748 -4.249 1.00 0.00 N ATOM 0 H LYS A 75 -3.078 8.238 -1.704 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.008 6.754 -4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.975 9.040 -2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.546 8.876 -4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.129 6.441 -3.503 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.746 6.786 -1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.727 7.860 -1.489 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.545 8.824 -2.941 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.067 6.104 -3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.240 6.526 -2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.011 7.148 -4.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.781 8.535 -3.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.645 8.126 -4.960 1.00 0.00 H new ATOM 1231 N VAL A 76 -2.937 7.947 -5.859 1.00 0.00 N ATOM 1232 CA VAL A 76 -2.259 8.602 -6.965 1.00 0.00 C ATOM 1233 C VAL A 76 -3.215 8.702 -8.156 1.00 0.00 C ATOM 1234 O VAL A 76 -4.170 7.934 -8.256 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.964 7.859 -7.299 1.00 0.00 C ATOM 1236 CG1 VAL A 76 -0.212 8.552 -8.437 1.00 0.00 C ATOM 1237 CG2 VAL A 76 -0.077 7.718 -6.061 1.00 0.00 C ATOM 0 H VAL A 76 -3.316 7.025 -6.076 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.974 9.618 -6.690 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.230 6.857 -7.635 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.705 8.004 -8.654 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.841 8.576 -9.327 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.037 9.571 -8.141 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.837 7.186 -6.327 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.177 8.707 -5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.611 7.160 -5.292 1.00 0.00 H new ATOM 1247 N ASP A 77 -2.925 9.657 -9.028 1.00 0.00 N ATOM 1248 CA ASP A 77 -3.746 9.868 -10.207 1.00 0.00 C ATOM 1249 C ASP A 77 -2.842 10.126 -11.414 1.00 0.00 C ATOM 1250 O ASP A 77 -1.744 10.661 -11.268 1.00 0.00 O ATOM 1251 CB ASP A 77 -4.660 11.082 -10.032 1.00 0.00 C ATOM 1252 CG ASP A 77 -5.655 11.313 -11.171 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -6.758 10.731 -11.087 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -5.290 12.065 -12.100 1.00 0.00 O ATOM 0 H ASP A 77 -2.132 10.293 -8.941 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.355 8.977 -10.357 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.216 10.968 -9.102 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.040 11.972 -9.925 1.00 0.00 H new ATOM 1259 N GLU A 78 -3.337 9.734 -12.579 1.00 0.00 N ATOM 1260 CA GLU A 78 -2.587 9.916 -13.810 1.00 0.00 C ATOM 1261 C GLU A 78 -2.211 11.388 -13.989 1.00 0.00 C ATOM 1262 O GLU A 78 -1.030 11.733 -14.006 1.00 0.00 O ATOM 1263 CB GLU A 78 -3.378 9.403 -15.015 1.00 0.00 C ATOM 1264 CG GLU A 78 -2.579 8.351 -15.787 1.00 0.00 C ATOM 1265 CD GLU A 78 -2.602 8.639 -17.290 1.00 0.00 C ATOM 1266 OE1 GLU A 78 -1.967 9.641 -17.685 1.00 0.00 O ATOM 1267 OE2 GLU A 78 -3.254 7.851 -18.009 1.00 0.00 O ATOM 0 H GLU A 78 -4.248 9.291 -12.696 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.669 9.331 -13.743 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.322 8.974 -14.679 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.623 10.235 -15.675 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.549 8.338 -15.431 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.994 7.361 -15.596 1.00 0.00 H new ATOM 1274 N GLU A 79 -3.236 12.217 -14.118 1.00 0.00 N ATOM 1275 CA GLU A 79 -3.028 13.644 -14.295 1.00 0.00 C ATOM 1276 C GLU A 79 -1.915 14.137 -13.367 1.00 0.00 C ATOM 1277 O GLU A 79 -0.925 14.704 -13.826 1.00 0.00 O ATOM 1278 CB GLU A 79 -4.324 14.421 -14.057 1.00 0.00 C ATOM 1279 CG GLU A 79 -5.378 14.064 -15.107 1.00 0.00 C ATOM 1280 CD GLU A 79 -5.637 15.243 -16.047 1.00 0.00 C ATOM 1281 OE1 GLU A 79 -4.764 15.483 -16.910 1.00 0.00 O ATOM 1282 OE2 GLU A 79 -6.701 15.877 -15.883 1.00 0.00 O ATOM 0 H GLU A 79 -4.214 11.927 -14.103 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.721 13.821 -15.326 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.708 14.199 -13.061 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.122 15.492 -14.089 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.044 13.201 -15.684 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.306 13.778 -14.613 1.00 0.00 H new ATOM 1289 N GLU A 80 -2.115 13.903 -12.078 1.00 0.00 N ATOM 1290 CA GLU A 80 -1.141 14.316 -11.083 1.00 0.00 C ATOM 1291 C GLU A 80 0.278 14.048 -11.585 1.00 0.00 C ATOM 1292 O GLU A 80 1.025 14.981 -11.874 1.00 0.00 O ATOM 1293 CB GLU A 80 -1.392 13.613 -9.747 1.00 0.00 C ATOM 1294 CG GLU A 80 -2.078 14.553 -8.753 1.00 0.00 C ATOM 1295 CD GLU A 80 -3.472 14.949 -9.247 1.00 0.00 C ATOM 1296 OE1 GLU A 80 -4.422 14.208 -8.917 1.00 0.00 O ATOM 1297 OE2 GLU A 80 -3.554 15.984 -9.943 1.00 0.00 O ATOM 0 H GLU A 80 -2.937 13.433 -11.700 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.250 15.388 -10.919 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.013 12.731 -9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.446 13.266 -9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.157 14.066 -7.781 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.470 15.447 -8.613 1.00 0.00 H new ATOM 1304 N ARG A 81 0.608 12.767 -11.675 1.00 0.00 N ATOM 1305 CA ARG A 81 1.925 12.365 -12.138 1.00 0.00 C ATOM 1306 C ARG A 81 2.252 13.046 -13.468 1.00 0.00 C ATOM 1307 O ARG A 81 1.515 12.898 -14.442 1.00 0.00 O ATOM 1308 CB ARG A 81 2.006 10.847 -12.316 1.00 0.00 C ATOM 1309 CG ARG A 81 3.227 10.274 -11.594 1.00 0.00 C ATOM 1310 CD ARG A 81 2.914 8.902 -10.993 1.00 0.00 C ATOM 1311 NE ARG A 81 4.040 7.974 -11.239 1.00 0.00 N ATOM 1312 CZ ARG A 81 4.225 7.303 -12.384 1.00 0.00 C ATOM 1313 NH1 ARG A 81 3.359 7.454 -13.396 1.00 0.00 N ATOM 1314 NH2 ARG A 81 5.275 6.482 -12.518 1.00 0.00 N ATOM 0 H ARG A 81 -0.014 11.995 -11.435 1.00 0.00 H new ATOM 0 HA ARG A 81 2.649 12.670 -11.383 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.099 10.383 -11.928 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.060 10.604 -13.377 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.060 10.188 -12.292 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.542 10.957 -10.805 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.737 8.997 -9.922 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.000 8.503 -11.433 1.00 0.00 H new ATOM 0 HE ARG A 81 4.718 7.836 -10.490 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.560 8.079 -13.294 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.499 6.943 -14.268 1.00 0.00 H new ATOM 0 HH21 ARG A 81 5.934 6.367 -11.748 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.415 5.972 -13.390 1.00 0.00 H new ATOM 1328 N SER A 82 3.356 13.777 -13.467 1.00 0.00 N ATOM 1329 CA SER A 82 3.789 14.482 -14.661 1.00 0.00 C ATOM 1330 C SER A 82 4.037 13.485 -15.796 1.00 0.00 C ATOM 1331 O SER A 82 3.543 13.669 -16.907 1.00 0.00 O ATOM 1332 CB SER A 82 5.052 15.302 -14.390 1.00 0.00 C ATOM 1333 OG SER A 82 5.162 16.419 -15.268 1.00 0.00 O ATOM 0 H SER A 82 3.965 13.897 -12.657 1.00 0.00 H new ATOM 0 HA SER A 82 2.998 15.171 -14.957 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.042 15.652 -13.358 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.929 14.665 -14.503 1.00 0.00 H new ATOM 0 HG SER A 82 5.980 16.918 -15.062 1.00 0.00 H new ATOM 1339 N GLY A 83 4.801 12.452 -15.476 1.00 0.00 N ATOM 1340 CA GLY A 83 5.120 11.426 -16.455 1.00 0.00 C ATOM 1341 C GLY A 83 6.525 10.866 -16.223 1.00 0.00 C ATOM 1342 O GLY A 83 7.411 11.577 -15.752 1.00 0.00 O ATOM 0 H GLY A 83 5.209 12.303 -14.553 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.389 10.620 -16.394 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.052 11.843 -17.460 1.00 0.00 H new ATOM 1346 N PRO A 84 6.689 9.562 -16.575 1.00 0.00 N ATOM 1347 CA PRO A 84 7.971 8.899 -16.411 1.00 0.00 C ATOM 1348 C PRO A 84 8.964 9.349 -17.485 1.00 0.00 C ATOM 1349 O PRO A 84 9.129 8.678 -18.502 1.00 0.00 O ATOM 1350 CB PRO A 84 7.657 7.413 -16.478 1.00 0.00 C ATOM 1351 CG PRO A 84 6.292 7.306 -17.138 1.00 0.00 C ATOM 1352 CD PRO A 84 5.663 8.689 -17.136 1.00 0.00 C ATOM 0 HA PRO A 84 8.455 9.149 -15.467 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.413 6.880 -17.055 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.645 6.971 -15.482 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.389 6.933 -18.157 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.662 6.599 -16.598 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.386 9.000 -18.144 1.00 0.00 H new ATOM 0 HD3 PRO A 84 4.754 8.710 -16.535 1.00 0.00 H new ATOM 1360 N SER A 85 9.597 10.482 -17.222 1.00 0.00 N ATOM 1361 CA SER A 85 10.569 11.030 -18.153 1.00 0.00 C ATOM 1362 C SER A 85 11.706 10.031 -18.371 1.00 0.00 C ATOM 1363 O SER A 85 11.924 9.567 -19.490 1.00 0.00 O ATOM 1364 CB SER A 85 11.123 12.364 -17.650 1.00 0.00 C ATOM 1365 OG SER A 85 12.351 12.706 -18.287 1.00 0.00 O ATOM 0 H SER A 85 9.456 11.036 -16.377 1.00 0.00 H new ATOM 0 HA SER A 85 10.067 11.212 -19.103 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.390 13.151 -17.828 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.276 12.310 -16.572 1.00 0.00 H new ATOM 0 HG SER A 85 12.671 13.565 -17.940 1.00 0.00 H new ATOM 1371 N SER A 86 12.402 9.728 -17.285 1.00 0.00 N ATOM 1372 CA SER A 86 13.512 8.792 -17.343 1.00 0.00 C ATOM 1373 C SER A 86 13.059 7.485 -17.996 1.00 0.00 C ATOM 1374 O SER A 86 13.642 7.048 -18.988 1.00 0.00 O ATOM 1375 CB SER A 86 14.077 8.521 -15.948 1.00 0.00 C ATOM 1376 OG SER A 86 15.316 7.818 -16.001 1.00 0.00 O ATOM 0 H SER A 86 12.218 10.115 -16.359 1.00 0.00 H new ATOM 0 HA SER A 86 14.304 9.237 -17.945 1.00 0.00 H new ATOM 0 HB2 SER A 86 14.219 9.466 -15.424 1.00 0.00 H new ATOM 0 HB3 SER A 86 13.356 7.942 -15.371 1.00 0.00 H new ATOM 0 HG SER A 86 15.645 7.666 -15.090 1.00 0.00 H new ATOM 1382 N GLY A 87 12.025 6.897 -17.414 1.00 0.00 N ATOM 1383 CA GLY A 87 11.488 5.648 -17.927 1.00 0.00 C ATOM 1384 C GLY A 87 10.557 5.898 -19.115 1.00 0.00 C ATOM 1385 O GLY A 87 10.312 4.998 -19.917 1.00 0.00 O ATOM 0 H GLY A 87 11.544 7.262 -16.592 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.305 4.995 -18.232 1.00 0.00 H new ATOM 0 HA3 GLY A 87 10.944 5.130 -17.137 1.00 0.00 H new TER 1389 GLY A 87