USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 737 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 128 LYS NZ :NH3+ 139:sc= 0.342 (180deg=0) USER MOD Set 1.2: A 129 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 94 ASN : amide:sc= -1.78 K(o=-4.4,f=-5.7!) USER MOD Set 2.2: A 98 ASN : amide:sc= -2.65 K(o=-4.4,f=-3.9) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.66 K(o=-0.66,f=-0.082) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -3.58 K(o=-3.6,f=-12!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-0.072) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 140:sc= 0.286 USER MOD Single : A 52 ASN : amide:sc= -0.996 K(o=-1,f=-1.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.686 K(o=-0.69,f=-3!) USER MOD Single : A 62 THR OG1 : rot 23:sc= -1.3! USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.73) USER MOD Single : A 69 THR OG1 : rot 42:sc= -0.363 USER MOD Single : A 73 GLN : amide:sc= -1.55 K(o=-1.5,f=-6!) USER MOD Single : A 74 SER OG : rot 172:sc= -0.471 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.0293 X(o=-0.029,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 139:sc= -1.97! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.85 USER MOD Single : A 111 SER OG : rot 180:sc= 0.00362 USER MOD Single : A 114 ASN : amide:sc= -0.184 K(o=-0.18,f=-0.93) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.501 K(o=-0.5,f=0.0076) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc=-0.00766 X(o=-0.0077,f=0) USER MOD Single : A 132 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.035) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -41.986 -32.476 36.541 1.00 0.00 N ATOM 2 CA GLY A 15 -42.049 -32.736 35.113 1.00 0.00 C ATOM 3 C GLY A 15 -41.384 -31.608 34.321 1.00 0.00 C ATOM 4 O GLY A 15 -40.659 -30.791 34.887 1.00 0.00 O ATOM 0 HA2 GLY A 15 -41.556 -33.682 34.890 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -43.089 -32.838 34.804 1.00 0.00 H new ATOM 8 N SER A 16 -41.655 -31.600 33.024 1.00 0.00 N ATOM 9 CA SER A 16 -41.093 -30.586 32.148 1.00 0.00 C ATOM 10 C SER A 16 -41.786 -30.629 30.785 1.00 0.00 C ATOM 11 O SER A 16 -42.533 -31.561 30.493 1.00 0.00 O ATOM 12 CB SER A 16 -39.584 -30.776 31.983 1.00 0.00 C ATOM 13 OG SER A 16 -38.844 -29.707 32.564 1.00 0.00 O ATOM 0 H SER A 16 -42.256 -32.280 32.559 1.00 0.00 H new ATOM 0 HA SER A 16 -41.261 -29.610 32.603 1.00 0.00 H new ATOM 0 HB2 SER A 16 -39.285 -31.717 32.445 1.00 0.00 H new ATOM 0 HB3 SER A 16 -39.342 -30.850 30.923 1.00 0.00 H new ATOM 0 HG SER A 16 -37.885 -29.867 32.439 1.00 0.00 H new ATOM 18 N GLY A 17 -41.514 -29.607 29.987 1.00 0.00 N ATOM 19 CA GLY A 17 -42.102 -29.516 28.661 1.00 0.00 C ATOM 20 C GLY A 17 -41.257 -28.628 27.746 1.00 0.00 C ATOM 21 O GLY A 17 -40.342 -27.947 28.207 1.00 0.00 O ATOM 0 H GLY A 17 -40.894 -28.835 30.233 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -42.188 -30.513 28.228 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -43.112 -29.112 28.734 1.00 0.00 H new ATOM 25 N MET A 18 -41.593 -28.664 26.464 1.00 0.00 N ATOM 26 CA MET A 18 -40.877 -27.870 25.480 1.00 0.00 C ATOM 27 C MET A 18 -41.807 -27.430 24.348 1.00 0.00 C ATOM 28 O MET A 18 -42.796 -28.102 24.056 1.00 0.00 O ATOM 29 CB MET A 18 -39.723 -28.692 24.903 1.00 0.00 C ATOM 30 CG MET A 18 -40.247 -29.867 24.075 1.00 0.00 C ATOM 31 SD MET A 18 -39.230 -31.308 24.348 1.00 0.00 S ATOM 32 CE MET A 18 -40.478 -32.582 24.290 1.00 0.00 C ATOM 0 H MET A 18 -42.352 -29.231 26.085 1.00 0.00 H new ATOM 0 HA MET A 18 -40.489 -26.978 25.973 1.00 0.00 H new ATOM 0 HB2 MET A 18 -39.094 -28.056 24.280 1.00 0.00 H new ATOM 0 HB3 MET A 18 -39.096 -29.064 25.713 1.00 0.00 H new ATOM 0 HG2 MET A 18 -41.280 -30.083 24.349 1.00 0.00 H new ATOM 0 HG3 MET A 18 -40.246 -29.606 23.017 1.00 0.00 H new ATOM 0 HE1 MET A 18 -40.012 -33.555 24.444 1.00 0.00 H new ATOM 0 HE2 MET A 18 -41.215 -32.405 25.073 1.00 0.00 H new ATOM 0 HE3 MET A 18 -40.970 -32.565 23.318 1.00 0.00 H new ATOM 40 N LYS A 19 -41.458 -26.305 23.741 1.00 0.00 N ATOM 41 CA LYS A 19 -42.249 -25.768 22.646 1.00 0.00 C ATOM 42 C LYS A 19 -41.520 -24.571 22.036 1.00 0.00 C ATOM 43 O LYS A 19 -41.485 -23.492 22.627 1.00 0.00 O ATOM 44 CB LYS A 19 -43.669 -25.449 23.119 1.00 0.00 C ATOM 45 CG LYS A 19 -44.668 -25.556 21.965 1.00 0.00 C ATOM 46 CD LYS A 19 -45.464 -26.860 22.049 1.00 0.00 C ATOM 47 CE LYS A 19 -46.453 -26.824 23.214 1.00 0.00 C ATOM 48 NZ LYS A 19 -47.807 -26.465 22.734 1.00 0.00 N ATOM 0 H LYS A 19 -40.638 -25.750 23.987 1.00 0.00 H new ATOM 0 HA LYS A 19 -42.360 -26.510 21.855 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -43.954 -26.136 23.916 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -43.699 -24.444 23.539 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -45.351 -24.707 21.990 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -44.137 -25.510 21.014 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -46.002 -27.022 21.115 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -44.781 -27.700 22.173 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -46.481 -27.797 23.705 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -46.121 -26.100 23.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -48.466 -26.445 23.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -47.779 -25.527 22.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -48.128 -27.171 22.041 1.00 0.00 H new ATOM 58 N GLU A 20 -40.954 -24.799 20.860 1.00 0.00 N ATOM 59 CA GLU A 20 -40.228 -23.753 20.162 1.00 0.00 C ATOM 60 C GLU A 20 -40.102 -24.093 18.675 1.00 0.00 C ATOM 61 O GLU A 20 -40.351 -25.229 18.273 1.00 0.00 O ATOM 62 CB GLU A 20 -38.852 -23.527 20.791 1.00 0.00 C ATOM 63 CG GLU A 20 -38.712 -22.092 21.305 1.00 0.00 C ATOM 64 CD GLU A 20 -37.870 -21.247 20.346 1.00 0.00 C ATOM 65 OE1 GLU A 20 -36.710 -21.644 20.108 1.00 0.00 O ATOM 66 OE2 GLU A 20 -38.408 -20.222 19.873 1.00 0.00 O ATOM 0 H GLU A 20 -40.984 -25.695 20.373 1.00 0.00 H new ATOM 0 HA GLU A 20 -40.791 -22.824 20.255 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -38.705 -24.227 21.613 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -38.074 -23.731 20.055 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -39.699 -21.644 21.419 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -38.249 -22.099 22.292 1.00 0.00 H new ATOM 71 N THR A 21 -39.715 -23.090 17.901 1.00 0.00 N ATOM 72 CA THR A 21 -39.554 -23.270 16.469 1.00 0.00 C ATOM 73 C THR A 21 -38.895 -22.036 15.847 1.00 0.00 C ATOM 74 O THR A 21 -39.044 -20.925 16.357 1.00 0.00 O ATOM 75 CB THR A 21 -40.926 -23.590 15.874 1.00 0.00 C ATOM 76 OG1 THR A 21 -40.647 -23.927 14.518 1.00 0.00 O ATOM 77 CG2 THR A 21 -41.823 -22.354 15.773 1.00 0.00 C ATOM 0 H THR A 21 -39.508 -22.150 18.239 1.00 0.00 H new ATOM 0 HA THR A 21 -38.886 -24.103 16.249 1.00 0.00 H new ATOM 0 HB THR A 21 -41.418 -24.347 16.484 1.00 0.00 H new ATOM 0 HG1 THR A 21 -41.483 -24.150 14.058 1.00 0.00 H new ATOM 0 HG21 THR A 21 -42.785 -22.636 15.344 1.00 0.00 H new ATOM 0 HG22 THR A 21 -41.978 -21.935 16.767 1.00 0.00 H new ATOM 0 HG23 THR A 21 -41.346 -21.610 15.135 1.00 0.00 H new ATOM 85 N ALA A 22 -38.181 -22.272 14.756 1.00 0.00 N ATOM 86 CA ALA A 22 -37.500 -21.193 14.060 1.00 0.00 C ATOM 87 C ALA A 22 -36.753 -21.763 12.853 1.00 0.00 C ATOM 88 O ALA A 22 -36.767 -22.972 12.625 1.00 0.00 O ATOM 89 CB ALA A 22 -36.568 -20.467 15.033 1.00 0.00 C ATOM 0 H ALA A 22 -38.059 -23.194 14.337 1.00 0.00 H new ATOM 0 HA ALA A 22 -38.218 -20.462 13.688 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -36.057 -19.658 14.512 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -37.151 -20.057 15.857 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -35.831 -21.169 15.424 1.00 0.00 H new ATOM 95 N ALA A 23 -36.117 -20.866 12.114 1.00 0.00 N ATOM 96 CA ALA A 23 -35.366 -21.264 10.935 1.00 0.00 C ATOM 97 C ALA A 23 -34.187 -20.310 10.741 1.00 0.00 C ATOM 98 O ALA A 23 -34.051 -19.330 11.472 1.00 0.00 O ATOM 99 CB ALA A 23 -36.298 -21.295 9.722 1.00 0.00 C ATOM 0 H ALA A 23 -36.106 -19.865 12.309 1.00 0.00 H new ATOM 0 HA ALA A 23 -34.960 -22.268 11.059 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -35.735 -21.593 8.838 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -37.102 -22.010 9.899 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -36.723 -20.304 9.564 1.00 0.00 H new ATOM 105 N ALA A 24 -33.365 -20.631 9.752 1.00 0.00 N ATOM 106 CA ALA A 24 -32.201 -19.813 9.453 1.00 0.00 C ATOM 107 C ALA A 24 -31.753 -20.079 8.015 1.00 0.00 C ATOM 108 O ALA A 24 -31.697 -21.229 7.581 1.00 0.00 O ATOM 109 CB ALA A 24 -31.097 -20.104 10.471 1.00 0.00 C ATOM 0 H ALA A 24 -33.482 -21.445 9.148 1.00 0.00 H new ATOM 0 HA ALA A 24 -32.446 -18.754 9.532 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -30.224 -19.491 10.247 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -31.456 -19.871 11.474 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -30.823 -21.158 10.419 1.00 0.00 H new ATOM 115 N LYS A 25 -31.444 -18.997 7.315 1.00 0.00 N ATOM 116 CA LYS A 25 -31.003 -19.099 5.934 1.00 0.00 C ATOM 117 C LYS A 25 -30.436 -17.751 5.484 1.00 0.00 C ATOM 118 O LYS A 25 -31.189 -16.826 5.181 1.00 0.00 O ATOM 119 CB LYS A 25 -32.136 -19.617 5.046 1.00 0.00 C ATOM 120 CG LYS A 25 -31.629 -19.934 3.638 1.00 0.00 C ATOM 121 CD LYS A 25 -32.531 -19.304 2.575 1.00 0.00 C ATOM 122 CE LYS A 25 -33.721 -20.212 2.258 1.00 0.00 C ATOM 123 NZ LYS A 25 -34.448 -19.718 1.068 1.00 0.00 N ATOM 0 H LYS A 25 -31.490 -18.045 7.679 1.00 0.00 H new ATOM 0 HA LYS A 25 -30.199 -19.830 5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -32.570 -20.513 5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -32.929 -18.872 4.991 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -30.611 -19.563 3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -31.593 -21.014 3.495 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -32.890 -18.336 2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -31.956 -19.121 1.667 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -33.373 -21.230 2.082 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -34.395 -20.250 3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -35.252 -20.346 0.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -34.797 -18.755 1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -33.806 -19.705 0.250 1.00 0.00 H new ATOM 133 N PHE A 26 -29.113 -17.682 5.454 1.00 0.00 N ATOM 134 CA PHE A 26 -28.437 -16.463 5.045 1.00 0.00 C ATOM 135 C PHE A 26 -26.937 -16.704 4.861 1.00 0.00 C ATOM 136 O PHE A 26 -26.447 -17.805 5.107 1.00 0.00 O ATOM 137 CB PHE A 26 -28.643 -15.441 6.165 1.00 0.00 C ATOM 138 CG PHE A 26 -29.763 -14.435 5.890 1.00 0.00 C ATOM 139 CD1 PHE A 26 -29.796 -13.758 4.712 1.00 0.00 C ATOM 140 CD2 PHE A 26 -30.726 -14.219 6.825 1.00 0.00 C ATOM 141 CE1 PHE A 26 -30.835 -12.825 4.457 1.00 0.00 C ATOM 142 CE2 PHE A 26 -31.766 -13.286 6.571 1.00 0.00 C ATOM 143 CZ PHE A 26 -31.799 -12.609 5.392 1.00 0.00 C ATOM 0 H PHE A 26 -28.492 -18.450 5.706 1.00 0.00 H new ATOM 0 HA PHE A 26 -28.841 -16.113 4.095 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -28.864 -15.972 7.091 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -27.711 -14.898 6.323 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -29.031 -13.930 3.969 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -30.700 -14.757 7.761 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -30.860 -12.287 3.521 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -32.531 -13.114 7.314 1.00 0.00 H new ATOM 0 HZ PHE A 26 -32.590 -11.900 5.198 1.00 0.00 H new ATOM 152 N GLU A 27 -26.250 -15.656 4.429 1.00 0.00 N ATOM 153 CA GLU A 27 -24.817 -15.740 4.209 1.00 0.00 C ATOM 154 C GLU A 27 -24.141 -14.426 4.606 1.00 0.00 C ATOM 155 O GLU A 27 -24.726 -13.614 5.321 1.00 0.00 O ATOM 156 CB GLU A 27 -24.506 -16.100 2.755 1.00 0.00 C ATOM 157 CG GLU A 27 -24.870 -14.947 1.816 1.00 0.00 C ATOM 158 CD GLU A 27 -26.334 -15.036 1.382 1.00 0.00 C ATOM 159 OE1 GLU A 27 -26.757 -16.161 1.035 1.00 0.00 O ATOM 160 OE2 GLU A 27 -26.999 -13.977 1.408 1.00 0.00 O ATOM 0 H GLU A 27 -26.660 -14.744 4.226 1.00 0.00 H new ATOM 0 HA GLU A 27 -24.418 -16.535 4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -23.447 -16.336 2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -25.061 -16.994 2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -24.693 -13.995 2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -24.224 -14.970 0.938 1.00 0.00 H new ATOM 165 N ARG A 28 -22.918 -14.257 4.125 1.00 0.00 N ATOM 166 CA ARG A 28 -22.157 -13.056 4.421 1.00 0.00 C ATOM 167 C ARG A 28 -21.745 -12.355 3.124 1.00 0.00 C ATOM 168 O ARG A 28 -20.673 -12.622 2.583 1.00 0.00 O ATOM 169 CB ARG A 28 -20.903 -13.385 5.234 1.00 0.00 C ATOM 170 CG ARG A 28 -19.963 -14.300 4.448 1.00 0.00 C ATOM 171 CD ARG A 28 -19.347 -15.365 5.359 1.00 0.00 C ATOM 172 NE ARG A 28 -20.342 -16.420 5.650 1.00 0.00 N ATOM 173 CZ ARG A 28 -20.030 -17.653 6.070 1.00 0.00 C ATOM 174 NH1 ARG A 28 -18.747 -17.993 6.250 1.00 0.00 N ATOM 175 NH2 ARG A 28 -20.999 -18.545 6.310 1.00 0.00 N ATOM 0 H ARG A 28 -22.435 -14.932 3.532 1.00 0.00 H new ATOM 0 HA ARG A 28 -22.795 -12.396 5.009 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -20.383 -12.463 5.496 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -21.188 -13.868 6.169 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -20.511 -14.782 3.638 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -19.172 -13.707 3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -18.471 -15.802 4.880 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -19.007 -14.908 6.288 1.00 0.00 H new ATOM 0 HE ARG A 28 -21.329 -16.194 5.523 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -18.009 -17.313 6.067 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -18.508 -18.932 6.570 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -21.976 -18.286 6.173 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -20.760 -19.484 6.630 1.00 0.00 H new ATOM 186 N GLN A 29 -22.619 -11.473 2.663 1.00 0.00 N ATOM 187 CA GLN A 29 -22.360 -10.732 1.440 1.00 0.00 C ATOM 188 C GLN A 29 -22.239 -9.237 1.740 1.00 0.00 C ATOM 189 O GLN A 29 -21.445 -8.537 1.114 1.00 0.00 O ATOM 190 CB GLN A 29 -23.449 -10.996 0.399 1.00 0.00 C ATOM 191 CG GLN A 29 -22.873 -10.957 -1.019 1.00 0.00 C ATOM 192 CD GLN A 29 -23.795 -11.676 -2.005 1.00 0.00 C ATOM 193 OE1 GLN A 29 -24.600 -11.072 -2.695 1.00 0.00 O ATOM 194 NE2 GLN A 29 -23.634 -12.996 -2.033 1.00 0.00 N ATOM 0 H GLN A 29 -23.507 -11.255 3.114 1.00 0.00 H new ATOM 0 HA GLN A 29 -21.413 -11.076 1.023 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -23.905 -11.969 0.583 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -24.238 -10.250 0.496 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -22.737 -9.922 -1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -21.889 -11.425 -1.029 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -22.941 -13.438 -1.429 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -24.203 -13.566 -2.659 1.00 0.00 H new ATOM 201 N HIS A 30 -23.038 -8.792 2.699 1.00 0.00 N ATOM 202 CA HIS A 30 -23.030 -7.392 3.090 1.00 0.00 C ATOM 203 C HIS A 30 -21.611 -6.977 3.481 1.00 0.00 C ATOM 204 O HIS A 30 -20.672 -7.761 3.350 1.00 0.00 O ATOM 205 CB HIS A 30 -24.051 -7.133 4.200 1.00 0.00 C ATOM 206 CG HIS A 30 -23.784 -7.902 5.472 1.00 0.00 C ATOM 207 ND1 HIS A 30 -24.630 -7.858 6.566 1.00 0.00 N ATOM 208 CD2 HIS A 30 -22.759 -8.735 5.811 1.00 0.00 C ATOM 209 CE1 HIS A 30 -24.127 -8.632 7.516 1.00 0.00 C ATOM 210 NE2 HIS A 30 -22.966 -9.174 7.046 1.00 0.00 N ATOM 0 H HIS A 30 -23.695 -9.376 3.217 1.00 0.00 H new ATOM 0 HA HIS A 30 -23.333 -6.772 2.246 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -24.062 -6.067 4.428 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -25.044 -7.391 3.833 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -21.921 -8.994 5.181 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -24.559 -8.804 8.491 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -22.358 -9.812 7.560 1.00 0.00 H new ATOM 217 N MET A 31 -21.498 -5.744 3.953 1.00 0.00 N ATOM 218 CA MET A 31 -20.210 -5.214 4.364 1.00 0.00 C ATOM 219 C MET A 31 -20.339 -3.766 4.840 1.00 0.00 C ATOM 220 O MET A 31 -21.429 -3.197 4.820 1.00 0.00 O ATOM 221 CB MET A 31 -19.232 -5.281 3.189 1.00 0.00 C ATOM 222 CG MET A 31 -17.967 -6.050 3.572 1.00 0.00 C ATOM 223 SD MET A 31 -16.673 -5.726 2.386 1.00 0.00 S ATOM 224 CE MET A 31 -16.867 -7.143 1.319 1.00 0.00 C ATOM 0 H MET A 31 -22.279 -5.096 4.060 1.00 0.00 H new ATOM 0 HA MET A 31 -19.838 -5.817 5.193 1.00 0.00 H new ATOM 0 HB2 MET A 31 -19.712 -5.765 2.339 1.00 0.00 H new ATOM 0 HB3 MET A 31 -18.967 -4.272 2.874 1.00 0.00 H new ATOM 0 HG2 MET A 31 -17.640 -5.755 4.569 1.00 0.00 H new ATOM 0 HG3 MET A 31 -18.178 -7.119 3.609 1.00 0.00 H new ATOM 0 HE1 MET A 31 -16.130 -7.098 0.517 1.00 0.00 H new ATOM 0 HE2 MET A 31 -16.720 -8.056 1.896 1.00 0.00 H new ATOM 0 HE3 MET A 31 -17.870 -7.142 0.891 1.00 0.00 H new ATOM 232 N ASP A 32 -19.210 -3.210 5.257 1.00 0.00 N ATOM 233 CA ASP A 32 -19.182 -1.839 5.737 1.00 0.00 C ATOM 234 C ASP A 32 -17.868 -1.181 5.312 1.00 0.00 C ATOM 235 O ASP A 32 -16.927 -1.865 4.914 1.00 0.00 O ATOM 236 CB ASP A 32 -19.265 -1.789 7.263 1.00 0.00 C ATOM 237 CG ASP A 32 -19.601 -0.415 7.847 1.00 0.00 C ATOM 238 OD1 ASP A 32 -20.095 0.428 7.068 1.00 0.00 O ATOM 239 OD2 ASP A 32 -19.356 -0.239 9.060 1.00 0.00 O ATOM 0 H ASP A 32 -18.308 -3.685 5.272 1.00 0.00 H new ATOM 0 HA ASP A 32 -20.038 -1.315 5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.019 -2.503 7.595 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -18.311 -2.119 7.675 1.00 0.00 H new ATOM 243 N SER A 33 -17.847 0.140 5.411 1.00 0.00 N ATOM 244 CA SER A 33 -16.663 0.898 5.043 1.00 0.00 C ATOM 245 C SER A 33 -16.465 2.063 6.015 1.00 0.00 C ATOM 246 O SER A 33 -17.433 2.627 6.521 1.00 0.00 O ATOM 247 CB SER A 33 -16.766 1.417 3.607 1.00 0.00 C ATOM 248 OG SER A 33 -16.274 0.473 2.661 1.00 0.00 O ATOM 0 H SER A 33 -18.630 0.704 5.740 1.00 0.00 H new ATOM 0 HA SER A 33 -15.800 0.234 5.100 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.806 1.649 3.379 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.205 2.347 3.517 1.00 0.00 H new ATOM 0 HG SER A 33 -16.359 0.841 1.757 1.00 0.00 H new ATOM 253 N PRO A 34 -15.167 2.397 6.253 1.00 0.00 N ATOM 254 CA PRO A 34 -14.829 3.485 7.156 1.00 0.00 C ATOM 255 C PRO A 34 -15.096 4.843 6.503 1.00 0.00 C ATOM 256 O PRO A 34 -15.826 4.929 5.517 1.00 0.00 O ATOM 257 CB PRO A 34 -13.365 3.269 7.500 1.00 0.00 C ATOM 258 CG PRO A 34 -12.814 2.348 6.423 1.00 0.00 C ATOM 259 CD PRO A 34 -13.994 1.752 5.672 1.00 0.00 C ATOM 0 HA PRO A 34 -15.440 3.488 8.058 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -12.825 4.215 7.518 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -13.258 2.822 8.488 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -12.168 2.901 5.742 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -12.207 1.560 6.868 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -13.923 1.949 4.602 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -14.036 0.670 5.795 1.00 0.00 H new ATOM 264 N ASP A 35 -14.489 5.870 7.079 1.00 0.00 N ATOM 265 CA ASP A 35 -14.651 7.220 6.566 1.00 0.00 C ATOM 266 C ASP A 35 -13.446 7.577 5.694 1.00 0.00 C ATOM 267 O ASP A 35 -12.334 7.112 5.944 1.00 0.00 O ATOM 268 CB ASP A 35 -14.730 8.237 7.705 1.00 0.00 C ATOM 269 CG ASP A 35 -15.543 7.785 8.921 1.00 0.00 C ATOM 270 OD1 ASP A 35 -14.955 7.071 9.762 1.00 0.00 O ATOM 271 OD2 ASP A 35 -16.732 8.163 8.980 1.00 0.00 O ATOM 0 H ASP A 35 -13.884 5.794 7.897 1.00 0.00 H new ATOM 0 HA ASP A 35 -15.576 7.253 5.990 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.717 8.474 8.031 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -15.164 9.159 7.319 1.00 0.00 H new ATOM 275 N LEU A 36 -13.706 8.401 4.690 1.00 0.00 N ATOM 276 CA LEU A 36 -12.656 8.828 3.780 1.00 0.00 C ATOM 277 C LEU A 36 -12.939 10.257 3.316 1.00 0.00 C ATOM 278 O LEU A 36 -13.519 10.465 2.251 1.00 0.00 O ATOM 279 CB LEU A 36 -12.503 7.827 2.633 1.00 0.00 C ATOM 280 CG LEU A 36 -11.844 6.493 2.990 1.00 0.00 C ATOM 281 CD1 LEU A 36 -12.867 5.355 2.978 1.00 0.00 C ATOM 282 CD2 LEU A 36 -10.656 6.205 2.068 1.00 0.00 C ATOM 0 H LEU A 36 -14.629 8.785 4.486 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.693 8.844 4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.491 7.623 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.919 8.298 1.842 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.455 6.565 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.372 4.418 3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.651 5.563 3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.307 5.272 1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.205 5.251 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.000 6.160 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.916 6.999 2.169 1.00 0.00 H new ATOM 293 N GLY A 37 -12.516 11.207 4.137 1.00 0.00 N ATOM 294 CA GLY A 37 -12.716 12.612 3.824 1.00 0.00 C ATOM 295 C GLY A 37 -11.873 13.503 4.738 1.00 0.00 C ATOM 296 O GLY A 37 -11.527 13.107 5.850 1.00 0.00 O ATOM 0 H GLY A 37 -12.035 11.031 5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.450 12.798 2.783 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.770 12.866 3.934 1.00 0.00 H new ATOM 300 N THR A 38 -11.567 14.690 4.235 1.00 0.00 N ATOM 301 CA THR A 38 -10.770 15.640 4.992 1.00 0.00 C ATOM 302 C THR A 38 -9.386 15.060 5.288 1.00 0.00 C ATOM 303 O THR A 38 -9.265 13.897 5.672 1.00 0.00 O ATOM 304 CB THR A 38 -11.553 16.016 6.251 1.00 0.00 C ATOM 305 OG1 THR A 38 -12.723 16.660 5.753 1.00 0.00 O ATOM 306 CG2 THR A 38 -10.854 17.100 7.074 1.00 0.00 C ATOM 0 H THR A 38 -11.857 15.015 3.313 1.00 0.00 H new ATOM 0 HA THR A 38 -10.590 16.550 4.419 1.00 0.00 H new ATOM 0 HB THR A 38 -11.697 15.128 6.867 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.289 16.936 6.504 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.452 17.329 7.956 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.871 16.745 7.384 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.740 17.999 6.469 1.00 0.00 H new ATOM 314 N THR A 39 -8.376 15.896 5.099 1.00 0.00 N ATOM 315 CA THR A 39 -7.005 15.481 5.341 1.00 0.00 C ATOM 316 C THR A 39 -6.933 14.565 6.565 1.00 0.00 C ATOM 317 O THR A 39 -6.854 15.041 7.696 1.00 0.00 O ATOM 318 CB THR A 39 -6.145 16.740 5.473 1.00 0.00 C ATOM 319 OG1 THR A 39 -4.815 16.241 5.583 1.00 0.00 O ATOM 320 CG2 THR A 39 -6.380 17.473 6.796 1.00 0.00 C ATOM 0 H THR A 39 -8.480 16.860 4.781 1.00 0.00 H new ATOM 0 HA THR A 39 -6.618 14.892 4.510 1.00 0.00 H new ATOM 0 HB THR A 39 -6.357 17.414 4.643 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.190 16.991 5.671 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.746 18.358 6.839 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.426 17.772 6.865 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.136 16.811 7.627 1.00 0.00 H new ATOM 328 N LEU A 40 -6.964 13.269 6.297 1.00 0.00 N ATOM 329 CA LEU A 40 -6.903 12.282 7.363 1.00 0.00 C ATOM 330 C LEU A 40 -5.550 11.571 7.316 1.00 0.00 C ATOM 331 O LEU A 40 -4.773 11.646 8.267 1.00 0.00 O ATOM 332 CB LEU A 40 -8.101 11.332 7.281 1.00 0.00 C ATOM 333 CG LEU A 40 -8.278 10.587 5.957 1.00 0.00 C ATOM 334 CD1 LEU A 40 -7.560 9.235 5.988 1.00 0.00 C ATOM 335 CD2 LEU A 40 -9.758 10.441 5.603 1.00 0.00 C ATOM 0 H LEU A 40 -7.031 12.878 5.357 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.975 12.766 8.337 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.011 10.596 8.080 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.007 11.905 7.476 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.815 11.180 5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.702 8.726 5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.495 9.392 6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.971 8.623 6.791 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.855 9.908 4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.267 9.882 6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.209 11.429 5.510 1.00 0.00 H new ATOM 346 N LEU A 41 -5.309 10.896 6.202 1.00 0.00 N ATOM 347 CA LEU A 41 -4.063 10.171 6.021 1.00 0.00 C ATOM 348 C LEU A 41 -4.008 9.609 4.599 1.00 0.00 C ATOM 349 O LEU A 41 -3.771 8.417 4.408 1.00 0.00 O ATOM 350 CB LEU A 41 -3.896 9.109 7.110 1.00 0.00 C ATOM 351 CG LEU A 41 -4.791 7.874 6.983 1.00 0.00 C ATOM 352 CD1 LEU A 41 -3.963 6.629 6.656 1.00 0.00 C ATOM 353 CD2 LEU A 41 -5.641 7.682 8.240 1.00 0.00 C ATOM 0 H LEU A 41 -5.956 10.836 5.415 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.212 10.843 6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.856 8.781 7.114 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.088 9.575 8.077 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.477 8.033 6.151 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.623 5.765 6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.438 6.779 5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.238 6.455 7.451 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.268 6.798 8.124 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.989 7.554 9.104 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.273 8.558 8.389 1.00 0.00 H new ATOM 364 N GLU A 42 -4.229 10.493 3.638 1.00 0.00 N ATOM 365 CA GLU A 42 -4.209 10.099 2.240 1.00 0.00 C ATOM 366 C GLU A 42 -5.540 9.454 1.849 1.00 0.00 C ATOM 367 O GLU A 42 -5.565 8.480 1.099 1.00 0.00 O ATOM 368 CB GLU A 42 -3.038 9.157 1.953 1.00 0.00 C ATOM 369 CG GLU A 42 -2.593 9.263 0.492 1.00 0.00 C ATOM 370 CD GLU A 42 -1.344 10.137 0.361 1.00 0.00 C ATOM 371 OE1 GLU A 42 -0.238 9.566 0.480 1.00 0.00 O ATOM 372 OE2 GLU A 42 -1.523 11.355 0.147 1.00 0.00 O ATOM 0 H GLU A 42 -4.423 11.481 3.800 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.071 10.994 1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.202 9.399 2.610 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.330 8.130 2.174 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.388 8.268 0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.400 9.684 -0.108 1.00 0.00 H new ATOM 377 N GLN A 43 -6.613 10.024 2.375 1.00 0.00 N ATOM 378 CA GLN A 43 -7.946 9.518 2.090 1.00 0.00 C ATOM 379 C GLN A 43 -8.043 9.072 0.630 1.00 0.00 C ATOM 380 O GLN A 43 -8.787 8.146 0.308 1.00 0.00 O ATOM 381 CB GLN A 43 -9.012 10.564 2.417 1.00 0.00 C ATOM 382 CG GLN A 43 -9.034 11.671 1.362 1.00 0.00 C ATOM 383 CD GLN A 43 -9.228 13.044 2.011 1.00 0.00 C ATOM 384 OE1 GLN A 43 -10.307 13.404 2.451 1.00 0.00 O ATOM 385 NE2 GLN A 43 -8.125 13.786 2.047 1.00 0.00 N ATOM 0 H GLN A 43 -6.588 10.832 2.997 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.128 8.652 2.727 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.991 10.087 2.470 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -8.815 10.996 3.398 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.101 11.660 0.799 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -9.838 11.484 0.651 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -7.254 13.423 1.660 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -8.150 14.718 2.461 1.00 0.00 H new ATOM 392 N TYR A 44 -7.282 9.752 -0.215 1.00 0.00 N ATOM 393 CA TYR A 44 -7.274 9.437 -1.633 1.00 0.00 C ATOM 394 C TYR A 44 -6.337 10.376 -2.397 1.00 0.00 C ATOM 395 O TYR A 44 -6.096 11.503 -1.967 1.00 0.00 O ATOM 396 CB TYR A 44 -8.707 9.657 -2.123 1.00 0.00 C ATOM 397 CG TYR A 44 -8.928 11.004 -2.815 1.00 0.00 C ATOM 398 CD1 TYR A 44 -8.991 12.162 -2.068 1.00 0.00 C ATOM 399 CD2 TYR A 44 -9.063 11.060 -4.188 1.00 0.00 C ATOM 400 CE1 TYR A 44 -9.199 13.429 -2.719 1.00 0.00 C ATOM 401 CE2 TYR A 44 -9.270 12.327 -4.839 1.00 0.00 C ATOM 402 CZ TYR A 44 -9.329 13.449 -4.074 1.00 0.00 C ATOM 403 OH TYR A 44 -9.526 14.646 -4.689 1.00 0.00 O ATOM 0 H TYR A 44 -6.667 10.520 0.055 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.928 8.416 -1.797 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -8.970 8.857 -2.815 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.386 9.580 -1.274 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.884 12.118 -0.994 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.013 10.154 -4.773 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -9.251 14.343 -2.146 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.376 12.385 -5.912 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.600 14.508 -5.656 1.00 0.00 H new ATOM 412 N CYS A 45 -5.834 9.875 -3.517 1.00 0.00 N ATOM 413 CA CYS A 45 -4.929 10.654 -4.344 1.00 0.00 C ATOM 414 C CYS A 45 -5.647 10.995 -5.652 1.00 0.00 C ATOM 415 O CYS A 45 -6.842 10.741 -5.792 1.00 0.00 O ATOM 416 CB CYS A 45 -3.612 9.917 -4.591 1.00 0.00 C ATOM 417 SG CYS A 45 -3.690 8.104 -4.347 1.00 0.00 S ATOM 0 H CYS A 45 -6.036 8.940 -3.870 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.661 11.575 -3.827 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.285 10.119 -5.611 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.852 10.327 -3.926 1.00 0.00 H new ATOM 421 N HIS A 46 -4.887 11.565 -6.576 1.00 0.00 N ATOM 422 CA HIS A 46 -5.435 11.942 -7.867 1.00 0.00 C ATOM 423 C HIS A 46 -6.144 10.741 -8.494 1.00 0.00 C ATOM 424 O HIS A 46 -5.554 9.670 -8.633 1.00 0.00 O ATOM 425 CB HIS A 46 -4.347 12.526 -8.770 1.00 0.00 C ATOM 426 CG HIS A 46 -4.877 13.204 -10.010 1.00 0.00 C ATOM 427 ND1 HIS A 46 -4.262 14.305 -10.583 1.00 0.00 N ATOM 428 CD2 HIS A 46 -5.966 12.927 -10.781 1.00 0.00 C ATOM 429 CE1 HIS A 46 -4.961 14.665 -11.650 1.00 0.00 C ATOM 430 NE2 HIS A 46 -6.017 13.809 -11.771 1.00 0.00 N ATOM 0 H HIS A 46 -3.896 11.775 -6.456 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.177 12.729 -7.735 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.761 13.245 -8.197 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.668 11.727 -9.067 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.669 12.125 -10.614 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.735 15.491 -12.308 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.728 13.842 -12.502 1.00 0.00 H new ATOM 437 N ARG A 47 -7.400 10.958 -8.857 1.00 0.00 N ATOM 438 CA ARG A 47 -8.196 9.907 -9.467 1.00 0.00 C ATOM 439 C ARG A 47 -7.386 9.189 -10.548 1.00 0.00 C ATOM 440 O ARG A 47 -6.987 8.039 -10.370 1.00 0.00 O ATOM 441 CB ARG A 47 -9.474 10.473 -10.088 1.00 0.00 C ATOM 442 CG ARG A 47 -10.162 9.432 -10.973 1.00 0.00 C ATOM 443 CD ARG A 47 -11.117 8.561 -10.155 1.00 0.00 C ATOM 444 NE ARG A 47 -12.186 9.397 -9.564 1.00 0.00 N ATOM 445 CZ ARG A 47 -12.142 9.910 -8.328 1.00 0.00 C ATOM 446 NH1 ARG A 47 -11.083 9.673 -7.541 1.00 0.00 N ATOM 447 NH2 ARG A 47 -13.158 10.657 -7.876 1.00 0.00 N ATOM 0 H ARG A 47 -7.886 11.847 -8.740 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.470 9.201 -8.683 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.155 10.792 -9.299 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.235 11.357 -10.679 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.713 9.933 -11.769 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.411 8.804 -11.452 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.555 7.792 -10.791 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.568 8.047 -9.366 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.008 9.595 -10.134 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.311 9.102 -7.884 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.050 10.064 -6.599 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.965 10.835 -8.473 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.124 11.048 -6.934 1.00 0.00 H new ATOM 458 N THR A 48 -7.169 9.896 -11.648 1.00 0.00 N ATOM 459 CA THR A 48 -6.415 9.340 -12.759 1.00 0.00 C ATOM 460 C THR A 48 -7.344 8.575 -13.704 1.00 0.00 C ATOM 461 O THR A 48 -6.932 7.597 -14.326 1.00 0.00 O ATOM 462 CB THR A 48 -5.290 8.478 -12.182 1.00 0.00 C ATOM 463 OG1 THR A 48 -4.211 8.657 -13.096 1.00 0.00 O ATOM 464 CG2 THR A 48 -5.600 6.982 -12.261 1.00 0.00 C ATOM 0 H THR A 48 -7.502 10.849 -11.793 1.00 0.00 H new ATOM 0 HA THR A 48 -5.964 10.126 -13.364 1.00 0.00 H new ATOM 0 HB THR A 48 -5.114 8.759 -11.143 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.438 8.134 -12.797 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.770 6.416 -11.839 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.509 6.769 -11.698 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.742 6.694 -13.303 1.00 0.00 H new ATOM 472 N THR A 49 -8.578 9.049 -13.781 1.00 0.00 N ATOM 473 CA THR A 49 -9.568 8.422 -14.640 1.00 0.00 C ATOM 474 C THR A 49 -10.772 9.346 -14.828 1.00 0.00 C ATOM 475 O THR A 49 -10.656 10.561 -14.682 1.00 0.00 O ATOM 476 CB THR A 49 -9.932 7.066 -14.030 1.00 0.00 C ATOM 477 OG1 THR A 49 -10.449 6.319 -15.128 1.00 0.00 O ATOM 478 CG2 THR A 49 -11.108 7.159 -13.055 1.00 0.00 C ATOM 0 H THR A 49 -8.915 9.860 -13.263 1.00 0.00 H new ATOM 0 HA THR A 49 -9.171 8.249 -15.640 1.00 0.00 H new ATOM 0 HB THR A 49 -9.064 6.656 -13.513 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.134 5.393 -15.070 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.325 6.170 -12.651 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.852 7.836 -12.240 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.986 7.538 -13.579 1.00 0.00 H new ATOM 486 N ILE A 50 -11.903 8.733 -15.151 1.00 0.00 N ATOM 487 CA ILE A 50 -13.128 9.487 -15.361 1.00 0.00 C ATOM 488 C ILE A 50 -12.780 10.889 -15.863 1.00 0.00 C ATOM 489 O ILE A 50 -12.597 11.097 -17.061 1.00 0.00 O ATOM 490 CB ILE A 50 -13.985 9.481 -14.094 1.00 0.00 C ATOM 491 CG1 ILE A 50 -15.124 10.496 -14.198 1.00 0.00 C ATOM 492 CG2 ILE A 50 -13.123 9.713 -12.850 1.00 0.00 C ATOM 493 CD1 ILE A 50 -16.145 10.291 -13.077 1.00 0.00 C ATOM 0 H ILE A 50 -11.996 7.725 -15.272 1.00 0.00 H new ATOM 0 HA ILE A 50 -13.738 9.016 -16.132 1.00 0.00 H new ATOM 0 HB ILE A 50 -14.440 8.496 -13.993 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.721 11.507 -14.147 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.616 10.398 -15.166 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.755 9.704 -11.962 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.377 8.922 -12.772 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.622 10.678 -12.929 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.944 11.026 -13.174 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -16.564 9.287 -13.146 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -15.655 10.414 -12.111 1.00 0.00 H new ATOM 504 N GLY A 51 -12.698 11.817 -14.921 1.00 0.00 N ATOM 505 CA GLY A 51 -12.375 13.194 -15.252 1.00 0.00 C ATOM 506 C GLY A 51 -13.613 13.943 -15.750 1.00 0.00 C ATOM 507 O GLY A 51 -13.883 15.060 -15.313 1.00 0.00 O ATOM 0 H GLY A 51 -12.850 11.642 -13.928 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.970 13.697 -14.374 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.600 13.215 -16.018 1.00 0.00 H new ATOM 511 N ASN A 52 -14.331 13.297 -16.656 1.00 0.00 N ATOM 512 CA ASN A 52 -15.534 13.888 -17.218 1.00 0.00 C ATOM 513 C ASN A 52 -16.472 12.775 -17.687 1.00 0.00 C ATOM 514 O ASN A 52 -17.660 12.783 -17.365 1.00 0.00 O ATOM 515 CB ASN A 52 -15.202 14.767 -18.426 1.00 0.00 C ATOM 516 CG ASN A 52 -16.479 15.252 -19.117 1.00 0.00 C ATOM 517 OD1 ASN A 52 -17.585 15.062 -18.639 1.00 0.00 O ATOM 518 ND2 ASN A 52 -16.263 15.887 -20.266 1.00 0.00 N ATOM 0 H ASN A 52 -14.103 12.370 -17.015 1.00 0.00 H new ATOM 0 HA ASN A 52 -16.003 14.498 -16.446 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -14.610 15.624 -18.105 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.592 14.205 -19.133 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.050 16.249 -20.804 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -15.310 16.012 -20.609 1.00 0.00 H new ATOM 524 N PHE A 53 -15.905 11.844 -18.440 1.00 0.00 N ATOM 525 CA PHE A 53 -16.677 10.726 -18.956 1.00 0.00 C ATOM 526 C PHE A 53 -17.544 10.105 -17.859 1.00 0.00 C ATOM 527 O PHE A 53 -18.771 10.165 -17.924 1.00 0.00 O ATOM 528 CB PHE A 53 -15.675 9.681 -19.450 1.00 0.00 C ATOM 529 CG PHE A 53 -14.583 10.247 -20.360 1.00 0.00 C ATOM 530 CD1 PHE A 53 -14.906 10.734 -21.588 1.00 0.00 C ATOM 531 CD2 PHE A 53 -13.289 10.264 -19.941 1.00 0.00 C ATOM 532 CE1 PHE A 53 -13.893 11.260 -22.433 1.00 0.00 C ATOM 533 CE2 PHE A 53 -12.276 10.790 -20.785 1.00 0.00 C ATOM 534 CZ PHE A 53 -12.599 11.277 -22.014 1.00 0.00 C ATOM 0 H PHE A 53 -14.920 11.841 -18.705 1.00 0.00 H new ATOM 0 HA PHE A 53 -17.337 11.067 -19.754 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -15.206 9.207 -18.588 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -16.214 8.902 -19.988 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.933 10.721 -21.921 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -13.032 9.877 -18.966 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -14.150 11.646 -23.408 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.249 10.804 -20.452 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.828 11.677 -22.656 1.00 0.00 H new ATOM 543 N SER A 54 -16.872 9.524 -16.876 1.00 0.00 N ATOM 544 CA SER A 54 -17.565 8.892 -15.767 1.00 0.00 C ATOM 545 C SER A 54 -17.850 7.425 -16.094 1.00 0.00 C ATOM 546 O SER A 54 -18.332 7.110 -17.181 1.00 0.00 O ATOM 547 CB SER A 54 -18.868 9.626 -15.442 1.00 0.00 C ATOM 548 OG SER A 54 -19.211 9.521 -14.063 1.00 0.00 O ATOM 0 H SER A 54 -15.854 9.478 -16.825 1.00 0.00 H new ATOM 0 HA SER A 54 -16.921 8.943 -14.889 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.769 10.677 -15.712 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.676 9.216 -16.049 1.00 0.00 H new ATOM 0 HG SER A 54 -20.047 10.004 -13.896 1.00 0.00 H new ATOM 553 N GLY A 55 -17.541 6.566 -15.134 1.00 0.00 N ATOM 554 CA GLY A 55 -17.757 5.140 -15.307 1.00 0.00 C ATOM 555 C GLY A 55 -17.548 4.727 -16.764 1.00 0.00 C ATOM 556 O GLY A 55 -18.447 4.166 -17.389 1.00 0.00 O ATOM 0 H GLY A 55 -17.142 6.831 -14.233 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.072 4.584 -14.666 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.768 4.881 -14.993 1.00 0.00 H new ATOM 560 N PRO A 56 -16.325 5.027 -17.278 1.00 0.00 N ATOM 561 CA PRO A 56 -15.987 4.693 -18.651 1.00 0.00 C ATOM 562 C PRO A 56 -15.718 3.194 -18.800 1.00 0.00 C ATOM 563 O PRO A 56 -16.455 2.494 -19.493 1.00 0.00 O ATOM 564 CB PRO A 56 -14.773 5.549 -18.977 1.00 0.00 C ATOM 565 CG PRO A 56 -14.197 5.981 -17.638 1.00 0.00 C ATOM 566 CD PRO A 56 -15.236 5.692 -16.567 1.00 0.00 C ATOM 0 HA PRO A 56 -16.801 4.898 -19.346 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -14.040 4.984 -19.554 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -15.054 6.413 -19.578 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.273 5.442 -17.428 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.950 7.043 -17.654 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -14.829 5.055 -15.782 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.578 6.610 -16.088 1.00 0.00 H new ATOM 571 N TYR A 57 -14.663 2.745 -18.138 1.00 0.00 N ATOM 572 CA TYR A 57 -14.288 1.343 -18.188 1.00 0.00 C ATOM 573 C TYR A 57 -13.921 0.823 -16.796 1.00 0.00 C ATOM 574 O TYR A 57 -13.293 1.531 -16.011 1.00 0.00 O ATOM 575 CB TYR A 57 -13.054 1.267 -19.090 1.00 0.00 C ATOM 576 CG TYR A 57 -12.315 2.597 -19.243 1.00 0.00 C ATOM 577 CD1 TYR A 57 -11.754 3.207 -18.140 1.00 0.00 C ATOM 578 CD2 TYR A 57 -12.206 3.187 -20.487 1.00 0.00 C ATOM 579 CE1 TYR A 57 -11.058 4.459 -18.285 1.00 0.00 C ATOM 580 CE2 TYR A 57 -11.510 4.439 -20.631 1.00 0.00 C ATOM 581 CZ TYR A 57 -10.970 5.013 -19.523 1.00 0.00 C ATOM 582 OH TYR A 57 -10.311 6.196 -19.660 1.00 0.00 O ATOM 0 H TYR A 57 -14.055 3.328 -17.563 1.00 0.00 H new ATOM 0 HA TYR A 57 -15.115 0.738 -18.560 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.366 0.525 -18.686 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -13.358 0.916 -20.076 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -11.837 2.745 -17.167 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -12.643 2.709 -21.352 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.616 4.947 -17.429 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.419 4.912 -21.598 1.00 0.00 H new ATOM 0 HH TYR A 57 -10.326 6.472 -20.600 1.00 0.00 H new ATOM 591 N THR A 58 -14.327 -0.410 -16.534 1.00 0.00 N ATOM 592 CA THR A 58 -14.049 -1.032 -15.251 1.00 0.00 C ATOM 593 C THR A 58 -12.589 -0.806 -14.854 1.00 0.00 C ATOM 594 O THR A 58 -11.678 -1.303 -15.514 1.00 0.00 O ATOM 595 CB THR A 58 -14.428 -2.512 -15.351 1.00 0.00 C ATOM 596 OG1 THR A 58 -15.848 -2.498 -15.475 1.00 0.00 O ATOM 597 CG2 THR A 58 -14.176 -3.271 -14.047 1.00 0.00 C ATOM 0 H THR A 58 -14.846 -0.995 -17.188 1.00 0.00 H new ATOM 0 HA THR A 58 -14.644 -0.581 -14.456 1.00 0.00 H new ATOM 0 HB THR A 58 -13.861 -2.978 -16.157 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.179 -3.418 -15.547 1.00 0.00 H new ATOM 0 HG21 THR A 58 -14.462 -4.315 -14.173 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.118 -3.213 -13.791 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.768 -2.827 -13.247 1.00 0.00 H new ATOM 605 N TYR A 59 -12.412 -0.054 -13.777 1.00 0.00 N ATOM 606 CA TYR A 59 -11.078 0.244 -13.284 1.00 0.00 C ATOM 607 C TYR A 59 -10.956 -0.090 -11.796 1.00 0.00 C ATOM 608 O TYR A 59 -11.959 -0.169 -11.089 1.00 0.00 O ATOM 609 CB TYR A 59 -10.887 1.750 -13.473 1.00 0.00 C ATOM 610 CG TYR A 59 -10.042 2.122 -14.693 1.00 0.00 C ATOM 611 CD1 TYR A 59 -10.279 1.511 -15.908 1.00 0.00 C ATOM 612 CD2 TYR A 59 -9.045 3.069 -14.580 1.00 0.00 C ATOM 613 CE1 TYR A 59 -9.484 1.861 -17.057 1.00 0.00 C ATOM 614 CE2 TYR A 59 -8.250 3.419 -15.729 1.00 0.00 C ATOM 615 CZ TYR A 59 -8.509 2.798 -16.911 1.00 0.00 C ATOM 616 OH TYR A 59 -7.759 3.128 -17.995 1.00 0.00 O ATOM 0 H TYR A 59 -13.170 0.357 -13.232 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.331 -0.343 -13.818 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.866 2.221 -13.564 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.417 2.161 -12.579 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -11.060 0.771 -15.997 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.861 3.548 -13.630 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.658 1.390 -18.013 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.466 4.158 -15.654 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.103 3.811 -17.743 1.00 0.00 H new ATOM 625 N CYS A 60 -9.718 -0.280 -11.365 1.00 0.00 N ATOM 626 CA CYS A 60 -9.451 -0.605 -9.974 1.00 0.00 C ATOM 627 C CYS A 60 -9.879 0.586 -9.112 1.00 0.00 C ATOM 628 O CYS A 60 -9.922 1.718 -9.589 1.00 0.00 O ATOM 629 CB CYS A 60 -7.983 -0.972 -9.750 1.00 0.00 C ATOM 630 SG CYS A 60 -7.480 -2.584 -10.455 1.00 0.00 S ATOM 0 H CYS A 60 -8.888 -0.215 -11.955 1.00 0.00 H new ATOM 0 HA CYS A 60 -10.025 -1.486 -9.687 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.358 -0.191 -10.182 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.785 -0.982 -8.678 1.00 0.00 H new ATOM 634 N ASN A 61 -10.185 0.287 -7.859 1.00 0.00 N ATOM 635 CA ASN A 61 -10.608 1.318 -6.925 1.00 0.00 C ATOM 636 C ASN A 61 -9.379 1.910 -6.235 1.00 0.00 C ATOM 637 O ASN A 61 -8.342 1.254 -6.135 1.00 0.00 O ATOM 638 CB ASN A 61 -11.524 0.740 -5.845 1.00 0.00 C ATOM 639 CG ASN A 61 -11.825 1.783 -4.766 1.00 0.00 C ATOM 640 OD1 ASN A 61 -12.103 2.938 -5.042 1.00 0.00 O ATOM 641 ND2 ASN A 61 -11.753 1.311 -3.525 1.00 0.00 N ATOM 0 H ASN A 61 -10.149 -0.654 -7.468 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.148 2.080 -7.486 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.456 0.400 -6.297 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.053 -0.132 -5.392 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.936 1.928 -2.733 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.515 0.332 -3.365 1.00 0.00 H new ATOM 647 N THR A 62 -9.533 3.143 -5.776 1.00 0.00 N ATOM 648 CA THR A 62 -8.449 3.831 -5.097 1.00 0.00 C ATOM 649 C THR A 62 -8.357 3.376 -3.640 1.00 0.00 C ATOM 650 O THR A 62 -9.370 3.057 -3.021 1.00 0.00 O ATOM 651 CB THR A 62 -8.675 5.337 -5.251 1.00 0.00 C ATOM 652 OG1 THR A 62 -7.489 5.922 -4.720 1.00 0.00 O ATOM 653 CG2 THR A 62 -9.788 5.858 -4.338 1.00 0.00 C ATOM 0 H THR A 62 -10.394 3.684 -5.861 1.00 0.00 H new ATOM 0 HA THR A 62 -7.485 3.585 -5.542 1.00 0.00 H new ATOM 0 HB THR A 62 -8.920 5.563 -6.289 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.758 5.270 -4.756 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.908 6.931 -4.486 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.723 5.352 -4.579 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.527 5.662 -3.298 1.00 0.00 H new ATOM 661 N THR A 63 -7.133 3.360 -3.134 1.00 0.00 N ATOM 662 CA THR A 63 -6.895 2.949 -1.761 1.00 0.00 C ATOM 663 C THR A 63 -5.403 3.023 -1.433 1.00 0.00 C ATOM 664 O THR A 63 -4.566 3.047 -2.333 1.00 0.00 O ATOM 665 CB THR A 63 -7.488 1.550 -1.577 1.00 0.00 C ATOM 666 OG1 THR A 63 -8.071 1.588 -0.277 1.00 0.00 O ATOM 667 CG2 THR A 63 -6.414 0.467 -1.472 1.00 0.00 C ATOM 0 H THR A 63 -6.295 3.625 -3.651 1.00 0.00 H new ATOM 0 HA THR A 63 -7.385 3.621 -1.057 1.00 0.00 H new ATOM 0 HB THR A 63 -8.150 1.324 -2.413 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.480 0.720 -0.077 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.889 -0.505 -1.343 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.815 0.460 -2.382 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.771 0.674 -0.616 1.00 0.00 H new ATOM 675 N LEU A 64 -5.115 3.058 -0.140 1.00 0.00 N ATOM 676 CA LEU A 64 -3.739 3.130 0.320 1.00 0.00 C ATOM 677 C LEU A 64 -3.284 1.741 0.773 1.00 0.00 C ATOM 678 O LEU A 64 -4.071 0.796 0.772 1.00 0.00 O ATOM 679 CB LEU A 64 -3.588 4.207 1.395 1.00 0.00 C ATOM 680 CG LEU A 64 -4.440 4.024 2.652 1.00 0.00 C ATOM 681 CD1 LEU A 64 -3.563 3.742 3.873 1.00 0.00 C ATOM 682 CD2 LEU A 64 -5.359 5.228 2.872 1.00 0.00 C ATOM 0 H LEU A 64 -5.812 3.038 0.604 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.081 3.432 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.540 4.250 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.833 5.172 0.951 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.079 3.153 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.194 3.616 4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.988 2.831 3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.881 4.577 4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.954 5.072 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.757 6.129 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.022 5.341 2.014 1.00 0.00 H new ATOM 693 N ASP A 65 -2.015 1.661 1.147 1.00 0.00 N ATOM 694 CA ASP A 65 -1.447 0.404 1.601 1.00 0.00 C ATOM 695 C ASP A 65 -0.870 0.588 3.007 1.00 0.00 C ATOM 696 O ASP A 65 -0.877 1.694 3.545 1.00 0.00 O ATOM 697 CB ASP A 65 -0.311 -0.050 0.681 1.00 0.00 C ATOM 698 CG ASP A 65 -0.220 -1.562 0.466 1.00 0.00 C ATOM 699 OD1 ASP A 65 -1.221 -2.127 -0.027 1.00 0.00 O ATOM 700 OD2 ASP A 65 0.847 -2.121 0.799 1.00 0.00 O ATOM 0 H ASP A 65 -1.365 2.447 1.145 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.239 -0.345 1.596 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.433 0.433 -0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.634 0.301 1.095 1.00 0.00 H new ATOM 704 N GLN A 66 -0.386 -0.514 3.561 1.00 0.00 N ATOM 705 CA GLN A 66 0.193 -0.487 4.894 1.00 0.00 C ATOM 706 C GLN A 66 1.417 0.431 4.924 1.00 0.00 C ATOM 707 O GLN A 66 1.801 0.925 5.983 1.00 0.00 O ATOM 708 CB GLN A 66 0.554 -1.898 5.362 1.00 0.00 C ATOM 709 CG GLN A 66 0.667 -1.958 6.888 1.00 0.00 C ATOM 710 CD GLN A 66 -0.717 -1.961 7.540 1.00 0.00 C ATOM 711 OE1 GLN A 66 -1.648 -2.602 7.079 1.00 0.00 O ATOM 712 NE2 GLN A 66 -0.799 -1.211 8.635 1.00 0.00 N ATOM 0 H GLN A 66 -0.383 -1.430 3.112 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.551 -0.089 5.584 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.205 -2.603 5.022 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.498 -2.204 4.912 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.213 -2.855 7.181 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.241 -1.104 7.248 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.020 -0.700 8.966 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.681 -1.146 9.144 1.00 0.00 H new ATOM 719 N ILE A 67 1.996 0.630 3.749 1.00 0.00 N ATOM 720 CA ILE A 67 3.168 1.479 3.627 1.00 0.00 C ATOM 721 C ILE A 67 2.735 2.877 3.181 1.00 0.00 C ATOM 722 O ILE A 67 3.415 3.514 2.377 1.00 0.00 O ATOM 723 CB ILE A 67 4.204 0.833 2.706 1.00 0.00 C ATOM 724 CG1 ILE A 67 3.590 0.484 1.348 1.00 0.00 C ATOM 725 CG2 ILE A 67 4.848 -0.384 3.373 1.00 0.00 C ATOM 726 CD1 ILE A 67 4.676 0.299 0.286 1.00 0.00 C ATOM 0 H ILE A 67 1.675 0.218 2.873 1.00 0.00 H new ATOM 0 HA ILE A 67 3.660 1.590 4.593 1.00 0.00 H new ATOM 0 HB ILE A 67 4.997 1.558 2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.002 -0.430 1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.906 1.275 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.581 -0.824 2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.344 -0.075 4.293 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.079 -1.121 3.605 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.213 0.052 -0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.246 1.222 0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.344 -0.509 0.585 1.00 0.00 H new ATOM 737 N GLY A 68 1.607 3.314 3.721 1.00 0.00 N ATOM 738 CA GLY A 68 1.076 4.624 3.389 1.00 0.00 C ATOM 739 C GLY A 68 1.196 4.901 1.888 1.00 0.00 C ATOM 740 O GLY A 68 1.279 6.054 1.471 1.00 0.00 O ATOM 0 H GLY A 68 1.046 2.783 4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.030 4.684 3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.613 5.390 3.948 1.00 0.00 H new ATOM 744 N THR A 69 1.204 3.822 1.119 1.00 0.00 N ATOM 745 CA THR A 69 1.313 3.933 -0.325 1.00 0.00 C ATOM 746 C THR A 69 -0.074 4.072 -0.956 1.00 0.00 C ATOM 747 O THR A 69 -0.825 3.100 -1.035 1.00 0.00 O ATOM 748 CB THR A 69 2.093 2.720 -0.836 1.00 0.00 C ATOM 749 OG1 THR A 69 3.410 2.916 -0.328 1.00 0.00 O ATOM 750 CG2 THR A 69 2.275 2.737 -2.355 1.00 0.00 C ATOM 0 H THR A 69 1.137 2.866 1.469 1.00 0.00 H new ATOM 0 HA THR A 69 1.858 4.832 -0.611 1.00 0.00 H new ATOM 0 HB THR A 69 1.576 1.807 -0.543 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.360 3.235 0.597 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.835 1.854 -2.664 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.298 2.735 -2.839 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.822 3.634 -2.646 1.00 0.00 H new ATOM 758 N CYS A 70 -0.373 5.288 -1.389 1.00 0.00 N ATOM 759 CA CYS A 70 -1.657 5.567 -2.010 1.00 0.00 C ATOM 760 C CYS A 70 -1.681 4.896 -3.386 1.00 0.00 C ATOM 761 O CYS A 70 -0.638 4.725 -4.015 1.00 0.00 O ATOM 762 CB CYS A 70 -1.926 7.070 -2.104 1.00 0.00 C ATOM 763 SG CYS A 70 -1.686 7.790 -3.769 1.00 0.00 S ATOM 0 H CYS A 70 0.252 6.091 -1.322 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.458 5.159 -1.393 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.950 7.262 -1.785 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.271 7.587 -1.402 1.00 0.00 H new ATOM 767 N TRP A 71 -2.882 4.533 -3.811 1.00 0.00 N ATOM 768 CA TRP A 71 -3.056 3.885 -5.099 1.00 0.00 C ATOM 769 C TRP A 71 -4.409 4.318 -5.668 1.00 0.00 C ATOM 770 O TRP A 71 -5.448 3.790 -5.276 1.00 0.00 O ATOM 771 CB TRP A 71 -2.920 2.367 -4.972 1.00 0.00 C ATOM 772 CG TRP A 71 -1.539 1.904 -4.503 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.147 1.604 -3.257 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.374 1.696 -5.331 1.00 0.00 C ATOM 775 NE1 TRP A 71 0.178 1.222 -3.221 1.00 0.00 N ATOM 776 CE2 TRP A 71 0.663 1.279 -4.522 1.00 0.00 C ATOM 777 CE3 TRP A 71 -0.203 1.856 -6.717 1.00 0.00 C ATOM 778 CZ2 TRP A 71 1.943 0.988 -5.007 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.082 1.560 -7.187 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.137 1.139 -6.385 1.00 0.00 C ATOM 0 H TRP A 71 -3.745 4.676 -3.286 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.273 4.191 -5.793 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.672 2.002 -4.272 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -3.136 1.911 -5.938 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.788 1.655 -2.390 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.705 0.948 -2.392 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.001 2.182 -7.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.739 0.664 -4.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 1.267 1.666 -8.246 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.102 0.929 -6.823 1.00 0.00 H new ATOM 790 N PRO A 72 -4.350 5.300 -6.606 1.00 0.00 N ATOM 791 CA PRO A 72 -5.557 5.810 -7.233 1.00 0.00 C ATOM 792 C PRO A 72 -6.105 4.815 -8.258 1.00 0.00 C ATOM 793 O PRO A 72 -5.360 3.994 -8.791 1.00 0.00 O ATOM 794 CB PRO A 72 -5.149 7.137 -7.853 1.00 0.00 C ATOM 795 CG PRO A 72 -3.633 7.102 -7.952 1.00 0.00 C ATOM 796 CD PRO A 72 -3.137 5.949 -7.095 1.00 0.00 C ATOM 0 HA PRO A 72 -6.372 5.951 -6.523 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.602 7.264 -8.836 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.481 7.974 -7.238 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.321 6.970 -8.988 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.206 8.044 -7.609 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.526 5.259 -7.676 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.519 6.306 -6.271 1.00 0.00 H new ATOM 801 N GLN A 73 -7.403 4.922 -8.505 1.00 0.00 N ATOM 802 CA GLN A 73 -8.059 4.043 -9.457 1.00 0.00 C ATOM 803 C GLN A 73 -7.116 3.717 -10.616 1.00 0.00 C ATOM 804 O GLN A 73 -6.260 4.527 -10.972 1.00 0.00 O ATOM 805 CB GLN A 73 -9.361 4.661 -9.968 1.00 0.00 C ATOM 806 CG GLN A 73 -10.419 4.702 -8.863 1.00 0.00 C ATOM 807 CD GLN A 73 -11.779 4.237 -9.387 1.00 0.00 C ATOM 808 OE1 GLN A 73 -12.314 3.217 -8.984 1.00 0.00 O ATOM 809 NE2 GLN A 73 -12.306 5.038 -10.310 1.00 0.00 N ATOM 0 H GLN A 73 -8.018 5.605 -8.062 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.312 3.113 -8.947 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.170 5.671 -10.332 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.735 4.083 -10.813 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.108 4.066 -8.034 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.503 5.716 -8.473 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.806 5.877 -10.603 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.210 4.813 -10.724 1.00 0.00 H new ATOM 816 N SER A 74 -7.302 2.529 -11.173 1.00 0.00 N ATOM 817 CA SER A 74 -6.477 2.087 -12.285 1.00 0.00 C ATOM 818 C SER A 74 -7.224 1.029 -13.101 1.00 0.00 C ATOM 819 O SER A 74 -8.451 0.957 -13.056 1.00 0.00 O ATOM 820 CB SER A 74 -5.141 1.530 -11.791 1.00 0.00 C ATOM 821 OG SER A 74 -4.610 2.292 -10.712 1.00 0.00 O ATOM 0 H SER A 74 -8.011 1.859 -10.875 1.00 0.00 H new ATOM 0 HA SER A 74 -6.268 2.948 -12.921 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.275 0.496 -11.473 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.426 1.520 -12.614 1.00 0.00 H new ATOM 0 HG SER A 74 -3.827 1.833 -10.342 1.00 0.00 H new ATOM 826 N ALA A 75 -6.452 0.236 -13.829 1.00 0.00 N ATOM 827 CA ALA A 75 -7.025 -0.814 -14.654 1.00 0.00 C ATOM 828 C ALA A 75 -7.069 -2.119 -13.856 1.00 0.00 C ATOM 829 O ALA A 75 -6.212 -2.359 -13.006 1.00 0.00 O ATOM 830 CB ALA A 75 -6.215 -0.948 -15.945 1.00 0.00 C ATOM 0 H ALA A 75 -5.435 0.299 -13.865 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.048 -0.565 -14.935 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.645 -1.736 -16.564 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.240 -0.004 -16.490 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.183 -1.200 -15.702 1.00 0.00 H new ATOM 836 N PRO A 76 -8.101 -2.947 -14.165 1.00 0.00 N ATOM 837 CA PRO A 76 -8.268 -4.221 -13.484 1.00 0.00 C ATOM 838 C PRO A 76 -7.250 -5.247 -13.985 1.00 0.00 C ATOM 839 O PRO A 76 -6.829 -5.196 -15.140 1.00 0.00 O ATOM 840 CB PRO A 76 -9.707 -4.629 -13.760 1.00 0.00 C ATOM 841 CG PRO A 76 -10.150 -3.808 -14.960 1.00 0.00 C ATOM 842 CD PRO A 76 -9.134 -2.696 -15.164 1.00 0.00 C ATOM 0 HA PRO A 76 -8.086 -4.152 -12.412 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.777 -5.696 -13.970 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.342 -4.432 -12.896 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.213 -4.435 -15.849 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.143 -3.392 -14.792 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.722 -2.717 -16.173 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.588 -1.715 -15.025 1.00 0.00 H new ATOM 847 N GLY A 77 -6.883 -6.154 -13.093 1.00 0.00 N ATOM 848 CA GLY A 77 -5.922 -7.190 -13.429 1.00 0.00 C ATOM 849 C GLY A 77 -4.863 -6.662 -14.399 1.00 0.00 C ATOM 850 O GLY A 77 -4.602 -7.275 -15.433 1.00 0.00 O ATOM 0 H GLY A 77 -7.234 -6.193 -12.136 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.440 -7.552 -12.521 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.439 -8.039 -13.876 1.00 0.00 H new ATOM 854 N ALA A 78 -4.282 -5.529 -14.030 1.00 0.00 N ATOM 855 CA ALA A 78 -3.258 -4.911 -14.854 1.00 0.00 C ATOM 856 C ALA A 78 -1.917 -4.964 -14.119 1.00 0.00 C ATOM 857 O ALA A 78 -0.882 -4.609 -14.681 1.00 0.00 O ATOM 858 CB ALA A 78 -3.676 -3.481 -15.204 1.00 0.00 C ATOM 0 H ALA A 78 -4.501 -5.024 -13.172 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.141 -5.454 -15.792 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.907 -3.018 -15.822 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.618 -3.501 -15.751 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.801 -2.904 -14.288 1.00 0.00 H new ATOM 864 N LEU A 79 -1.979 -5.409 -12.872 1.00 0.00 N ATOM 865 CA LEU A 79 -0.783 -5.512 -12.053 1.00 0.00 C ATOM 866 C LEU A 79 0.016 -4.211 -12.160 1.00 0.00 C ATOM 867 O LEU A 79 0.733 -3.997 -13.137 1.00 0.00 O ATOM 868 CB LEU A 79 0.019 -6.758 -12.432 1.00 0.00 C ATOM 869 CG LEU A 79 -0.394 -7.454 -13.731 1.00 0.00 C ATOM 870 CD1 LEU A 79 0.588 -8.569 -14.093 1.00 0.00 C ATOM 871 CD2 LEU A 79 -1.834 -7.964 -13.646 1.00 0.00 C ATOM 0 H LEU A 79 -2.839 -5.702 -12.409 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.049 -5.639 -11.004 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.070 -6.479 -12.511 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.059 -7.478 -11.617 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.359 -6.721 -14.537 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.271 -9.047 -15.020 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.585 -8.148 -14.225 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.610 -9.309 -13.293 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.102 -8.454 -14.582 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.920 -8.676 -12.826 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.507 -7.125 -13.470 1.00 0.00 H new ATOM 882 N VAL A 80 -0.134 -3.377 -11.142 1.00 0.00 N ATOM 883 CA VAL A 80 0.565 -2.104 -11.109 1.00 0.00 C ATOM 884 C VAL A 80 2.050 -2.349 -10.834 1.00 0.00 C ATOM 885 O VAL A 80 2.596 -1.843 -9.855 1.00 0.00 O ATOM 886 CB VAL A 80 -0.088 -1.175 -10.082 1.00 0.00 C ATOM 887 CG1 VAL A 80 0.477 -1.424 -8.682 1.00 0.00 C ATOM 888 CG2 VAL A 80 0.075 0.291 -10.487 1.00 0.00 C ATOM 0 H VAL A 80 -0.729 -3.558 -10.334 1.00 0.00 H new ATOM 0 HA VAL A 80 0.492 -1.603 -12.074 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.155 -1.398 -10.058 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.003 -0.752 -7.971 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.286 -2.457 -8.391 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.552 -1.241 -8.685 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.398 0.929 -9.741 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.135 0.534 -10.553 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.396 0.455 -11.456 1.00 0.00 H new ATOM 898 N GLU A 81 2.661 -3.124 -11.717 1.00 0.00 N ATOM 899 CA GLU A 81 4.073 -3.442 -11.582 1.00 0.00 C ATOM 900 C GLU A 81 4.930 -2.264 -12.048 1.00 0.00 C ATOM 901 O GLU A 81 4.763 -1.773 -13.164 1.00 0.00 O ATOM 902 CB GLU A 81 4.424 -4.716 -12.355 1.00 0.00 C ATOM 903 CG GLU A 81 4.064 -4.574 -13.836 1.00 0.00 C ATOM 904 CD GLU A 81 5.324 -4.512 -14.703 1.00 0.00 C ATOM 905 OE1 GLU A 81 6.058 -5.523 -14.710 1.00 0.00 O ATOM 906 OE2 GLU A 81 5.523 -3.454 -15.339 1.00 0.00 O ATOM 0 H GLU A 81 2.205 -3.541 -12.528 1.00 0.00 H new ATOM 0 HA GLU A 81 4.285 -3.625 -10.529 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.489 -4.925 -12.254 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.890 -5.564 -11.927 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.446 -5.417 -14.146 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.471 -3.672 -13.985 1.00 0.00 H new ATOM 911 N ARG A 82 5.828 -1.843 -11.169 1.00 0.00 N ATOM 912 CA ARG A 82 6.711 -0.731 -11.478 1.00 0.00 C ATOM 913 C ARG A 82 7.962 -0.786 -10.597 1.00 0.00 C ATOM 914 O ARG A 82 8.246 0.154 -9.857 1.00 0.00 O ATOM 915 CB ARG A 82 6.004 0.609 -11.264 1.00 0.00 C ATOM 916 CG ARG A 82 5.567 0.772 -9.807 1.00 0.00 C ATOM 917 CD ARG A 82 4.055 0.580 -9.663 1.00 0.00 C ATOM 918 NE ARG A 82 3.383 1.895 -9.585 1.00 0.00 N ATOM 919 CZ ARG A 82 3.625 2.808 -8.635 1.00 0.00 C ATOM 920 NH1 ARG A 82 4.526 2.554 -7.676 1.00 0.00 N ATOM 921 NH2 ARG A 82 2.968 3.976 -8.644 1.00 0.00 N ATOM 0 H ARG A 82 5.963 -2.251 -10.244 1.00 0.00 H new ATOM 0 HA ARG A 82 6.996 -0.815 -12.527 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.672 1.425 -11.540 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.134 0.674 -11.918 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.090 0.047 -9.183 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.847 1.762 -9.448 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.669 0.015 -10.512 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.838 -0.002 -8.768 1.00 0.00 H new ATOM 0 HE ARG A 82 2.691 2.121 -10.300 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.027 1.666 -7.670 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.710 3.249 -6.953 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.283 4.170 -9.374 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.153 4.671 -7.920 1.00 0.00 H new ATOM 932 N PRO A 83 8.692 -1.927 -10.708 1.00 0.00 N ATOM 933 CA PRO A 83 9.905 -2.118 -9.931 1.00 0.00 C ATOM 934 C PRO A 83 11.057 -1.284 -10.498 1.00 0.00 C ATOM 935 O PRO A 83 11.675 -1.667 -11.489 1.00 0.00 O ATOM 936 CB PRO A 83 10.174 -3.613 -9.982 1.00 0.00 C ATOM 937 CG PRO A 83 9.374 -4.141 -11.162 1.00 0.00 C ATOM 938 CD PRO A 83 8.385 -3.062 -11.574 1.00 0.00 C ATOM 0 HA PRO A 83 9.801 -1.780 -8.900 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.238 -3.814 -10.110 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.867 -4.097 -9.055 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.036 -4.389 -11.992 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.849 -5.056 -10.888 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.500 -2.800 -12.626 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.356 -3.396 -11.439 1.00 0.00 H new ATOM 943 N CYS A 84 11.308 -0.160 -9.843 1.00 0.00 N ATOM 944 CA CYS A 84 12.374 0.731 -10.269 1.00 0.00 C ATOM 945 C CYS A 84 12.155 1.069 -11.745 1.00 0.00 C ATOM 946 O CYS A 84 12.433 0.252 -12.621 1.00 0.00 O ATOM 947 CB CYS A 84 13.754 0.121 -10.022 1.00 0.00 C ATOM 948 SG CYS A 84 13.734 -1.531 -9.235 1.00 0.00 S ATOM 0 H CYS A 84 10.792 0.154 -9.021 1.00 0.00 H new ATOM 0 HA CYS A 84 12.344 1.647 -9.679 1.00 0.00 H new ATOM 0 HB2 CYS A 84 14.279 0.048 -10.974 1.00 0.00 H new ATOM 0 HB3 CYS A 84 14.329 0.801 -9.393 1.00 0.00 H new ATOM 952 N PRO A 85 11.647 2.309 -11.982 1.00 0.00 N ATOM 953 CA PRO A 85 11.388 2.765 -13.337 1.00 0.00 C ATOM 954 C PRO A 85 12.692 3.126 -14.052 1.00 0.00 C ATOM 955 O PRO A 85 13.116 2.424 -14.968 1.00 0.00 O ATOM 956 CB PRO A 85 10.449 3.950 -13.180 1.00 0.00 C ATOM 957 CG PRO A 85 10.586 4.402 -11.735 1.00 0.00 C ATOM 958 CD PRO A 85 11.305 3.304 -10.969 1.00 0.00 C ATOM 0 HA PRO A 85 10.935 1.995 -13.961 1.00 0.00 H new ATOM 0 HB2 PRO A 85 10.715 4.753 -13.867 1.00 0.00 H new ATOM 0 HB3 PRO A 85 9.421 3.666 -13.405 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.145 5.336 -11.679 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.605 4.591 -11.300 1.00 0.00 H new ATOM 0 HD2 PRO A 85 12.197 3.686 -10.472 1.00 0.00 H new ATOM 0 HD3 PRO A 85 10.667 2.878 -10.195 1.00 0.00 H new ATOM 963 N GLU A 86 13.291 4.220 -13.606 1.00 0.00 N ATOM 964 CA GLU A 86 14.538 4.683 -14.192 1.00 0.00 C ATOM 965 C GLU A 86 14.370 4.894 -15.697 1.00 0.00 C ATOM 966 O GLU A 86 13.419 4.393 -16.296 1.00 0.00 O ATOM 967 CB GLU A 86 15.677 3.705 -13.897 1.00 0.00 C ATOM 968 CG GLU A 86 17.018 4.265 -14.378 1.00 0.00 C ATOM 969 CD GLU A 86 17.285 5.645 -13.773 1.00 0.00 C ATOM 970 OE1 GLU A 86 16.696 6.617 -14.294 1.00 0.00 O ATOM 971 OE2 GLU A 86 18.071 5.696 -12.803 1.00 0.00 O ATOM 0 H GLU A 86 12.936 4.800 -12.845 1.00 0.00 H new ATOM 0 HA GLU A 86 14.799 5.639 -13.739 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.724 3.508 -12.826 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.479 2.752 -14.388 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.821 3.582 -14.103 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.018 4.335 -15.466 1.00 0.00 H new ATOM 976 N TYR A 87 15.310 5.634 -16.268 1.00 0.00 N ATOM 977 CA TYR A 87 15.278 5.917 -17.693 1.00 0.00 C ATOM 978 C TYR A 87 15.539 4.650 -18.509 1.00 0.00 C ATOM 979 O TYR A 87 14.776 4.324 -19.417 1.00 0.00 O ATOM 980 CB TYR A 87 16.408 6.916 -17.949 1.00 0.00 C ATOM 981 CG TYR A 87 16.107 7.924 -19.060 1.00 0.00 C ATOM 982 CD1 TYR A 87 15.919 7.487 -20.356 1.00 0.00 C ATOM 983 CD2 TYR A 87 16.023 9.270 -18.767 1.00 0.00 C ATOM 984 CE1 TYR A 87 15.637 8.435 -21.402 1.00 0.00 C ATOM 985 CE2 TYR A 87 15.740 10.218 -19.813 1.00 0.00 C ATOM 986 CZ TYR A 87 15.561 9.754 -21.079 1.00 0.00 C ATOM 987 OH TYR A 87 15.293 10.650 -22.067 1.00 0.00 O ATOM 0 H TYR A 87 16.098 6.046 -15.769 1.00 0.00 H new ATOM 0 HA TYR A 87 14.302 6.305 -17.986 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.616 7.458 -17.027 1.00 0.00 H new ATOM 0 HB3 TYR A 87 17.314 6.367 -18.206 1.00 0.00 H new ATOM 0 HD1 TYR A 87 15.984 6.434 -20.585 1.00 0.00 H new ATOM 0 HD2 TYR A 87 16.170 9.612 -17.753 1.00 0.00 H new ATOM 0 HE1 TYR A 87 15.489 8.106 -22.420 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.671 11.274 -19.597 1.00 0.00 H new ATOM 0 HH TYR A 87 15.267 11.554 -21.690 1.00 0.00 H new ATOM 996 N PHE A 88 16.619 3.968 -18.155 1.00 0.00 N ATOM 997 CA PHE A 88 16.989 2.744 -18.844 1.00 0.00 C ATOM 998 C PHE A 88 16.333 1.526 -18.190 1.00 0.00 C ATOM 999 O PHE A 88 16.134 0.501 -18.839 1.00 0.00 O ATOM 1000 CB PHE A 88 18.510 2.610 -18.732 1.00 0.00 C ATOM 1001 CG PHE A 88 18.981 1.928 -17.446 1.00 0.00 C ATOM 1002 CD1 PHE A 88 19.043 0.571 -17.380 1.00 0.00 C ATOM 1003 CD2 PHE A 88 19.339 2.678 -16.370 1.00 0.00 C ATOM 1004 CE1 PHE A 88 19.481 -0.063 -16.187 1.00 0.00 C ATOM 1005 CE2 PHE A 88 19.776 2.043 -15.176 1.00 0.00 C ATOM 1006 CZ PHE A 88 19.838 0.687 -15.110 1.00 0.00 C ATOM 0 H PHE A 88 17.249 4.240 -17.400 1.00 0.00 H new ATOM 0 HA PHE A 88 16.659 2.787 -19.882 1.00 0.00 H new ATOM 0 HB2 PHE A 88 18.879 2.044 -19.587 1.00 0.00 H new ATOM 0 HB3 PHE A 88 18.957 3.602 -18.790 1.00 0.00 H new ATOM 0 HD1 PHE A 88 18.759 -0.025 -18.235 1.00 0.00 H new ATOM 0 HD2 PHE A 88 19.291 3.756 -16.423 1.00 0.00 H new ATOM 0 HE1 PHE A 88 19.531 -1.141 -16.135 1.00 0.00 H new ATOM 0 HE2 PHE A 88 20.059 2.638 -14.321 1.00 0.00 H new ATOM 0 HZ PHE A 88 20.171 0.205 -14.203 1.00 0.00 H new ATOM 1015 N ASN A 89 16.015 1.681 -16.912 1.00 0.00 N ATOM 1016 CA ASN A 89 15.385 0.607 -16.163 1.00 0.00 C ATOM 1017 C ASN A 89 16.457 -0.379 -15.694 1.00 0.00 C ATOM 1018 O ASN A 89 17.092 -1.046 -16.511 1.00 0.00 O ATOM 1019 CB ASN A 89 14.385 -0.158 -17.033 1.00 0.00 C ATOM 1020 CG ASN A 89 13.167 -0.592 -16.215 1.00 0.00 C ATOM 1021 OD1 ASN A 89 12.069 -0.084 -16.374 1.00 0.00 O ATOM 1022 ND2 ASN A 89 13.420 -1.556 -15.336 1.00 0.00 N ATOM 0 H ASN A 89 16.182 2.533 -16.377 1.00 0.00 H new ATOM 0 HA ASN A 89 14.861 1.049 -15.315 1.00 0.00 H new ATOM 0 HB2 ASN A 89 14.064 0.471 -17.864 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.869 -1.034 -17.465 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.672 -1.915 -14.743 1.00 0.00 H new ATOM 0 HD22 ASN A 89 14.363 -1.937 -15.254 1.00 0.00 H new ATOM 1028 N GLY A 90 16.625 -0.440 -14.382 1.00 0.00 N ATOM 1029 CA GLY A 90 17.609 -1.335 -13.794 1.00 0.00 C ATOM 1030 C GLY A 90 18.146 -0.769 -12.478 1.00 0.00 C ATOM 1031 O GLY A 90 18.436 -1.521 -11.549 1.00 0.00 O ATOM 0 H GLY A 90 16.097 0.115 -13.709 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.158 -2.312 -13.617 1.00 0.00 H new ATOM 0 HA3 GLY A 90 18.432 -1.486 -14.492 1.00 0.00 H new ATOM 1035 N ILE A 91 18.261 0.550 -12.440 1.00 0.00 N ATOM 1036 CA ILE A 91 18.758 1.224 -11.253 1.00 0.00 C ATOM 1037 C ILE A 91 17.577 1.621 -10.365 1.00 0.00 C ATOM 1038 O ILE A 91 16.433 1.634 -10.817 1.00 0.00 O ATOM 1039 CB ILE A 91 19.657 2.399 -11.641 1.00 0.00 C ATOM 1040 CG1 ILE A 91 21.055 1.914 -12.031 1.00 0.00 C ATOM 1041 CG2 ILE A 91 19.705 3.445 -10.526 1.00 0.00 C ATOM 1042 CD1 ILE A 91 21.959 1.798 -10.802 1.00 0.00 C ATOM 0 H ILE A 91 18.018 1.170 -13.213 1.00 0.00 H new ATOM 0 HA ILE A 91 19.386 0.552 -10.668 1.00 0.00 H new ATOM 0 HB ILE A 91 19.227 2.883 -12.518 1.00 0.00 H new ATOM 0 HG12 ILE A 91 20.983 0.946 -12.526 1.00 0.00 H new ATOM 0 HG13 ILE A 91 21.497 2.606 -12.748 1.00 0.00 H new ATOM 0 HG21 ILE A 91 20.351 4.269 -10.828 1.00 0.00 H new ATOM 0 HG22 ILE A 91 18.700 3.822 -10.337 1.00 0.00 H new ATOM 0 HG23 ILE A 91 20.098 2.990 -9.617 1.00 0.00 H new ATOM 0 HD11 ILE A 91 22.946 1.451 -11.108 1.00 0.00 H new ATOM 0 HD12 ILE A 91 22.049 2.773 -10.323 1.00 0.00 H new ATOM 0 HD13 ILE A 91 21.527 1.087 -10.098 1.00 0.00 H new ATOM 1053 N LYS A 92 17.894 1.935 -9.118 1.00 0.00 N ATOM 1054 CA LYS A 92 16.873 2.332 -8.163 1.00 0.00 C ATOM 1055 C LYS A 92 16.521 3.805 -8.381 1.00 0.00 C ATOM 1056 O LYS A 92 17.062 4.682 -7.710 1.00 0.00 O ATOM 1057 CB LYS A 92 17.321 2.012 -6.736 1.00 0.00 C ATOM 1058 CG LYS A 92 16.280 2.477 -5.716 1.00 0.00 C ATOM 1059 CD LYS A 92 16.919 3.367 -4.648 1.00 0.00 C ATOM 1060 CE LYS A 92 16.052 4.597 -4.368 1.00 0.00 C ATOM 1061 NZ LYS A 92 16.891 5.813 -4.285 1.00 0.00 N ATOM 0 H LYS A 92 18.844 1.923 -8.746 1.00 0.00 H new ATOM 0 HA LYS A 92 15.960 1.759 -8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 92 17.481 0.939 -6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 92 18.276 2.498 -6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 92 15.487 3.025 -6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.817 1.611 -5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 92 17.056 2.797 -3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 92 17.909 3.683 -4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 92 15.309 4.713 -5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 92 15.506 4.460 -3.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 16.288 6.639 -4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.583 5.705 -3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.392 5.951 -5.186 1.00 0.00 H new ATOM 1071 N TYR A 93 15.617 4.031 -9.323 1.00 0.00 N ATOM 1072 CA TYR A 93 15.187 5.382 -9.638 1.00 0.00 C ATOM 1073 C TYR A 93 13.662 5.499 -9.582 1.00 0.00 C ATOM 1074 O TYR A 93 13.042 6.030 -10.502 1.00 0.00 O ATOM 1075 CB TYR A 93 15.654 5.651 -11.070 1.00 0.00 C ATOM 1076 CG TYR A 93 16.437 6.955 -11.235 1.00 0.00 C ATOM 1077 CD1 TYR A 93 17.627 7.135 -10.560 1.00 0.00 C ATOM 1078 CD2 TYR A 93 15.953 7.951 -12.058 1.00 0.00 C ATOM 1079 CE1 TYR A 93 18.364 8.363 -10.716 1.00 0.00 C ATOM 1080 CE2 TYR A 93 16.690 9.178 -12.213 1.00 0.00 C ATOM 1081 CZ TYR A 93 17.859 9.323 -11.535 1.00 0.00 C ATOM 1082 OH TYR A 93 18.555 10.483 -11.680 1.00 0.00 O ATOM 0 H TYR A 93 15.171 3.301 -9.878 1.00 0.00 H new ATOM 0 HA TYR A 93 15.601 6.093 -8.923 1.00 0.00 H new ATOM 0 HB2 TYR A 93 16.278 4.820 -11.400 1.00 0.00 H new ATOM 0 HB3 TYR A 93 14.784 5.676 -11.726 1.00 0.00 H new ATOM 0 HD1 TYR A 93 18.006 6.356 -9.915 1.00 0.00 H new ATOM 0 HD2 TYR A 93 15.021 7.810 -12.586 1.00 0.00 H new ATOM 0 HE1 TYR A 93 19.297 8.517 -10.194 1.00 0.00 H new ATOM 0 HE2 TYR A 93 16.322 9.966 -12.854 1.00 0.00 H new ATOM 0 HH TYR A 93 18.076 11.077 -12.295 1.00 0.00 H new ATOM 1091 N ASN A 94 13.102 4.994 -8.493 1.00 0.00 N ATOM 1092 CA ASN A 94 11.661 5.036 -8.304 1.00 0.00 C ATOM 1093 C ASN A 94 11.295 6.272 -7.481 1.00 0.00 C ATOM 1094 O ASN A 94 10.125 6.490 -7.169 1.00 0.00 O ATOM 1095 CB ASN A 94 11.169 3.801 -7.547 1.00 0.00 C ATOM 1096 CG ASN A 94 12.128 3.435 -6.411 1.00 0.00 C ATOM 1097 OD1 ASN A 94 12.244 4.130 -5.414 1.00 0.00 O ATOM 1098 ND2 ASN A 94 12.806 2.311 -6.617 1.00 0.00 N ATOM 0 H ASN A 94 13.619 4.554 -7.732 1.00 0.00 H new ATOM 0 HA ASN A 94 11.192 5.067 -9.288 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.175 3.991 -7.142 1.00 0.00 H new ATOM 0 HB3 ASN A 94 11.078 2.961 -8.235 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.472 1.982 -5.918 1.00 0.00 H new ATOM 0 HD22 ASN A 94 12.661 1.777 -7.474 1.00 0.00 H new ATOM 1104 N THR A 95 12.316 7.049 -7.152 1.00 0.00 N ATOM 1105 CA THR A 95 12.115 8.258 -6.371 1.00 0.00 C ATOM 1106 C THR A 95 11.234 7.967 -5.155 1.00 0.00 C ATOM 1107 O THR A 95 11.737 7.603 -4.093 1.00 0.00 O ATOM 1108 CB THR A 95 11.537 9.329 -7.298 1.00 0.00 C ATOM 1109 OG1 THR A 95 10.294 8.782 -7.728 1.00 0.00 O ATOM 1110 CG2 THR A 95 12.343 9.482 -8.590 1.00 0.00 C ATOM 0 H THR A 95 13.285 6.865 -7.412 1.00 0.00 H new ATOM 0 HA THR A 95 13.057 8.630 -5.969 1.00 0.00 H new ATOM 0 HB THR A 95 11.506 10.284 -6.774 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.612 9.486 -7.736 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.890 10.254 -9.212 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.368 9.765 -8.348 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.346 8.536 -9.131 1.00 0.00 H new ATOM 1118 N THR A 96 9.934 8.139 -5.351 1.00 0.00 N ATOM 1119 CA THR A 96 8.979 7.900 -4.284 1.00 0.00 C ATOM 1120 C THR A 96 8.744 6.399 -4.104 1.00 0.00 C ATOM 1121 O THR A 96 7.602 5.941 -4.100 1.00 0.00 O ATOM 1122 CB THR A 96 7.704 8.680 -4.607 1.00 0.00 C ATOM 1123 OG1 THR A 96 8.132 10.037 -4.663 1.00 0.00 O ATOM 1124 CG2 THR A 96 6.693 8.655 -3.457 1.00 0.00 C ATOM 0 H THR A 96 9.521 8.441 -6.233 1.00 0.00 H new ATOM 0 HA THR A 96 9.360 8.254 -3.326 1.00 0.00 H new ATOM 0 HB THR A 96 7.243 8.266 -5.504 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.367 10.613 -4.870 1.00 0.00 H new ATOM 0 HG21 THR A 96 5.807 9.224 -3.739 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.410 7.624 -3.244 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.142 9.099 -2.569 1.00 0.00 H new ATOM 1132 N ARG A 97 9.843 5.673 -3.961 1.00 0.00 N ATOM 1133 CA ARG A 97 9.771 4.233 -3.782 1.00 0.00 C ATOM 1134 C ARG A 97 9.001 3.592 -4.938 1.00 0.00 C ATOM 1135 O ARG A 97 8.309 4.282 -5.686 1.00 0.00 O ATOM 1136 CB ARG A 97 9.086 3.875 -2.461 1.00 0.00 C ATOM 1137 CG ARG A 97 10.082 3.259 -1.477 1.00 0.00 C ATOM 1138 CD ARG A 97 9.912 3.857 -0.079 1.00 0.00 C ATOM 1139 NE ARG A 97 10.398 2.901 0.942 1.00 0.00 N ATOM 1140 CZ ARG A 97 10.520 3.191 2.245 1.00 0.00 C ATOM 1141 NH1 ARG A 97 10.193 4.411 2.693 1.00 0.00 N ATOM 1142 NH2 ARG A 97 10.970 2.262 3.099 1.00 0.00 N ATOM 0 H ARG A 97 10.789 6.055 -3.965 1.00 0.00 H new ATOM 0 HA ARG A 97 10.791 3.850 -3.764 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.642 4.769 -2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.272 3.174 -2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.937 2.180 -1.435 1.00 0.00 H new ATOM 0 HG3 ARG A 97 11.099 3.430 -1.829 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.465 4.793 -0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 97 8.863 4.091 0.100 1.00 0.00 H new ATOM 0 HE ARG A 97 10.656 1.963 0.635 1.00 0.00 H new ATOM 0 HH11 ARG A 97 9.851 5.119 2.043 1.00 0.00 H new ATOM 0 HH12 ARG A 97 10.286 4.632 3.684 1.00 0.00 H new ATOM 0 HH21 ARG A 97 11.220 1.334 2.758 1.00 0.00 H new ATOM 0 HH22 ARG A 97 11.063 2.483 4.090 1.00 0.00 H new ATOM 1153 N ASN A 98 9.145 2.280 -5.049 1.00 0.00 N ATOM 1154 CA ASN A 98 8.471 1.539 -6.101 1.00 0.00 C ATOM 1155 C ASN A 98 7.444 0.593 -5.475 1.00 0.00 C ATOM 1156 O ASN A 98 7.238 0.610 -4.263 1.00 0.00 O ATOM 1157 CB ASN A 98 9.464 0.694 -6.903 1.00 0.00 C ATOM 1158 CG ASN A 98 9.989 -0.475 -6.067 1.00 0.00 C ATOM 1159 OD1 ASN A 98 9.429 -1.558 -6.048 1.00 0.00 O ATOM 1160 ND2 ASN A 98 11.093 -0.195 -5.382 1.00 0.00 N ATOM 0 H ASN A 98 9.719 1.711 -4.427 1.00 0.00 H new ATOM 0 HA ASN A 98 7.990 2.258 -6.765 1.00 0.00 H new ATOM 0 HB2 ASN A 98 8.980 0.314 -7.803 1.00 0.00 H new ATOM 0 HB3 ASN A 98 10.298 1.317 -7.228 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.523 -0.909 -4.794 1.00 0.00 H new ATOM 0 HD22 ASN A 98 11.510 0.734 -5.444 1.00 0.00 H new ATOM 1166 N ALA A 99 6.828 -0.209 -6.331 1.00 0.00 N ATOM 1167 CA ALA A 99 5.827 -1.160 -5.877 1.00 0.00 C ATOM 1168 C ALA A 99 5.454 -2.091 -7.031 1.00 0.00 C ATOM 1169 O ALA A 99 6.036 -2.012 -8.112 1.00 0.00 O ATOM 1170 CB ALA A 99 4.617 -0.403 -5.324 1.00 0.00 C ATOM 0 H ALA A 99 7.002 -0.220 -7.336 1.00 0.00 H new ATOM 0 HA ALA A 99 6.222 -1.777 -5.070 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.866 -1.116 -4.984 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.930 0.222 -4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.192 0.225 -6.107 1.00 0.00 H new ATOM 1176 N TYR A 100 4.485 -2.955 -6.764 1.00 0.00 N ATOM 1177 CA TYR A 100 4.028 -3.901 -7.767 1.00 0.00 C ATOM 1178 C TYR A 100 3.096 -4.946 -7.151 1.00 0.00 C ATOM 1179 O TYR A 100 3.532 -5.788 -6.367 1.00 0.00 O ATOM 1180 CB TYR A 100 5.284 -4.601 -8.290 1.00 0.00 C ATOM 1181 CG TYR A 100 5.116 -6.107 -8.500 1.00 0.00 C ATOM 1182 CD1 TYR A 100 4.194 -6.577 -9.415 1.00 0.00 C ATOM 1183 CD2 TYR A 100 5.885 -6.995 -7.776 1.00 0.00 C ATOM 1184 CE1 TYR A 100 4.036 -7.995 -9.611 1.00 0.00 C ATOM 1185 CE2 TYR A 100 5.725 -8.413 -7.973 1.00 0.00 C ATOM 1186 CZ TYR A 100 4.809 -8.843 -8.882 1.00 0.00 C ATOM 1187 OH TYR A 100 4.659 -10.182 -9.068 1.00 0.00 O ATOM 0 H TYR A 100 4.004 -3.019 -5.867 1.00 0.00 H new ATOM 0 HA TYR A 100 3.476 -3.388 -8.555 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.576 -4.143 -9.235 1.00 0.00 H new ATOM 0 HB3 TYR A 100 6.101 -4.431 -7.588 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.593 -5.882 -9.982 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.607 -6.627 -7.062 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.318 -8.377 -10.322 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.319 -9.119 -7.412 1.00 0.00 H new ATOM 0 HH TYR A 100 5.277 -10.665 -8.481 1.00 0.00 H new ATOM 1196 N ARG A 101 1.829 -4.858 -7.528 1.00 0.00 N ATOM 1197 CA ARG A 101 0.831 -5.786 -7.022 1.00 0.00 C ATOM 1198 C ARG A 101 -0.219 -6.074 -8.096 1.00 0.00 C ATOM 1199 O ARG A 101 -0.544 -5.203 -8.902 1.00 0.00 O ATOM 1200 CB ARG A 101 0.137 -5.224 -5.779 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.782 -4.058 -6.144 1.00 0.00 C ATOM 1202 CD ARG A 101 -1.889 -3.885 -5.102 1.00 0.00 C ATOM 1203 NE ARG A 101 -2.242 -2.454 -4.970 1.00 0.00 N ATOM 1204 CZ ARG A 101 -2.866 -1.929 -3.907 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -3.209 -2.714 -2.876 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -3.145 -0.620 -3.874 1.00 0.00 N ATOM 0 H ARG A 101 1.470 -4.158 -8.178 1.00 0.00 H new ATOM 0 HA ARG A 101 1.343 -6.710 -6.753 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.442 -6.010 -5.295 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.885 -4.891 -5.060 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.199 -3.140 -6.216 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.225 -4.233 -7.125 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -2.768 -4.459 -5.395 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.558 -4.277 -4.140 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.995 -1.828 -5.736 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.995 -3.711 -2.901 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.684 -2.314 -2.067 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.883 -0.023 -4.658 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.620 -0.220 -3.065 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.720 -7.301 -8.075 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.727 -7.715 -9.038 1.00 0.00 C ATOM 1219 C GLU A 102 -3.093 -7.145 -8.655 1.00 0.00 C ATOM 1220 O GLU A 102 -3.391 -6.977 -7.473 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.781 -9.240 -9.153 1.00 0.00 C ATOM 1222 CG GLU A 102 -2.837 -9.676 -10.170 1.00 0.00 C ATOM 1223 CD GLU A 102 -3.081 -11.185 -10.094 1.00 0.00 C ATOM 1224 OE1 GLU A 102 -2.107 -11.902 -9.782 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -4.237 -11.585 -10.350 1.00 0.00 O ATOM 0 H GLU A 102 -0.447 -8.022 -7.406 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.452 -7.320 -10.016 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.804 -9.621 -9.452 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.008 -9.674 -8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.769 -9.143 -9.983 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.512 -9.407 -11.175 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.889 -6.863 -9.676 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.218 -6.317 -9.461 1.00 0.00 C ATOM 1232 C CYS A 103 -6.245 -7.372 -9.876 1.00 0.00 C ATOM 1233 O CYS A 103 -5.906 -8.341 -10.553 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.416 -5.000 -10.215 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.393 -3.740 -9.316 1.00 0.00 S ATOM 0 H CYS A 103 -3.639 -7.003 -10.655 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.350 -6.080 -8.405 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.437 -4.581 -10.450 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -5.908 -5.212 -11.164 1.00 0.00 H new ATOM 1239 N LEU A 104 -7.481 -7.148 -9.451 1.00 0.00 N ATOM 1240 CA LEU A 104 -8.559 -8.068 -9.771 1.00 0.00 C ATOM 1241 C LEU A 104 -9.230 -7.628 -11.074 1.00 0.00 C ATOM 1242 O LEU A 104 -9.245 -6.442 -11.399 1.00 0.00 O ATOM 1243 CB LEU A 104 -9.526 -8.190 -8.591 1.00 0.00 C ATOM 1244 CG LEU A 104 -9.443 -9.488 -7.786 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -10.257 -9.386 -6.496 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -9.864 -10.688 -8.637 1.00 0.00 C ATOM 0 H LEU A 104 -7.759 -6.344 -8.889 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.167 -9.071 -9.938 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.349 -7.354 -7.914 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.543 -8.084 -8.968 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.404 -9.646 -7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.181 -10.322 -5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.870 -8.571 -5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.302 -9.192 -6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.796 -11.598 -8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.891 -10.552 -8.975 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.205 -10.770 -9.501 1.00 0.00 H new ATOM 1257 N GLU A 105 -9.771 -8.607 -11.783 1.00 0.00 N ATOM 1258 CA GLU A 105 -10.442 -8.336 -13.044 1.00 0.00 C ATOM 1259 C GLU A 105 -11.796 -7.670 -12.791 1.00 0.00 C ATOM 1260 O GLU A 105 -12.504 -7.318 -13.733 1.00 0.00 O ATOM 1261 CB GLU A 105 -10.604 -9.616 -13.866 1.00 0.00 C ATOM 1262 CG GLU A 105 -9.925 -9.482 -15.230 1.00 0.00 C ATOM 1263 CD GLU A 105 -9.710 -10.854 -15.872 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -8.842 -11.591 -15.358 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -10.418 -11.134 -16.864 1.00 0.00 O ATOM 0 H GLU A 105 -9.759 -9.589 -11.509 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.824 -7.650 -13.623 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.174 -10.458 -13.323 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.663 -9.833 -14.003 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.536 -8.862 -15.885 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.966 -8.976 -15.115 1.00 0.00 H new ATOM 1270 N ASN A 106 -12.115 -7.520 -11.514 1.00 0.00 N ATOM 1271 CA ASN A 106 -13.372 -6.903 -11.126 1.00 0.00 C ATOM 1272 C ASN A 106 -13.131 -5.430 -10.790 1.00 0.00 C ATOM 1273 O ASN A 106 -14.064 -4.707 -10.444 1.00 0.00 O ATOM 1274 CB ASN A 106 -13.959 -7.581 -9.886 1.00 0.00 C ATOM 1275 CG ASN A 106 -15.417 -7.981 -10.117 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -16.337 -7.198 -9.952 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -15.576 -9.242 -10.508 1.00 0.00 N ATOM 0 H ASN A 106 -11.526 -7.815 -10.735 1.00 0.00 H new ATOM 0 HA ASN A 106 -14.069 -7.007 -11.958 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.371 -8.465 -9.638 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -13.895 -6.905 -9.033 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.512 -9.606 -10.689 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -14.762 -9.845 -10.627 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.873 -5.029 -10.904 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.497 -3.655 -10.616 1.00 0.00 C ATOM 1285 C GLY A 107 -11.200 -3.468 -9.127 1.00 0.00 C ATOM 1286 O GLY A 107 -11.696 -2.530 -8.504 1.00 0.00 O ATOM 0 H GLY A 107 -11.102 -5.631 -11.192 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.619 -3.384 -11.202 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.301 -2.984 -10.917 1.00 0.00 H new ATOM 1290 N THR A 108 -10.392 -4.376 -8.599 1.00 0.00 N ATOM 1291 CA THR A 108 -10.022 -4.323 -7.194 1.00 0.00 C ATOM 1292 C THR A 108 -8.539 -4.654 -7.020 1.00 0.00 C ATOM 1293 O THR A 108 -7.982 -5.444 -7.782 1.00 0.00 O ATOM 1294 CB THR A 108 -10.950 -5.267 -6.426 1.00 0.00 C ATOM 1295 OG1 THR A 108 -11.196 -6.331 -7.340 1.00 0.00 O ATOM 1296 CG2 THR A 108 -12.332 -4.658 -6.181 1.00 0.00 C ATOM 0 H THR A 108 -9.983 -5.153 -9.119 1.00 0.00 H new ATOM 0 HA THR A 108 -10.148 -3.319 -6.789 1.00 0.00 H new ATOM 0 HB THR A 108 -10.494 -5.527 -5.471 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.789 -6.990 -6.922 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.951 -5.368 -5.633 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.228 -3.742 -5.599 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.803 -4.429 -7.137 1.00 0.00 H new ATOM 1304 N TRP A 109 -7.942 -4.033 -6.014 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.533 -4.252 -5.731 1.00 0.00 C ATOM 1306 C TRP A 109 -6.397 -5.604 -5.028 1.00 0.00 C ATOM 1307 O TRP A 109 -7.363 -6.361 -4.937 1.00 0.00 O ATOM 1308 CB TRP A 109 -5.952 -3.094 -4.917 1.00 0.00 C ATOM 1309 CG TRP A 109 -5.782 -1.798 -5.712 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -6.538 -0.693 -5.659 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -4.756 -1.516 -6.686 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -6.076 0.277 -6.525 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -4.958 -0.239 -7.170 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -3.692 -2.313 -7.145 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.137 0.354 -8.136 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -2.881 -1.707 -8.111 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.072 -0.422 -8.608 1.00 0.00 C ATOM 0 H TRP A 109 -8.407 -3.379 -5.385 1.00 0.00 H new ATOM 0 HA TRP A 109 -5.953 -4.280 -6.654 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.602 -2.902 -4.063 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.983 -3.394 -4.519 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.400 -0.576 -5.019 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.481 1.203 -6.666 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.515 -3.314 -6.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.316 1.356 -8.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -2.049 -2.277 -8.498 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -2.401 -0.025 -9.355 1.00 0.00 H new ATOM 1327 N ALA A 110 -5.190 -5.867 -4.549 1.00 0.00 N ATOM 1328 CA ALA A 110 -4.915 -7.115 -3.857 1.00 0.00 C ATOM 1329 C ALA A 110 -4.988 -6.884 -2.346 1.00 0.00 C ATOM 1330 O ALA A 110 -5.909 -6.230 -1.860 1.00 0.00 O ATOM 1331 CB ALA A 110 -3.553 -7.655 -4.299 1.00 0.00 C ATOM 0 H ALA A 110 -4.391 -5.237 -4.626 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.662 -7.867 -4.111 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.347 -8.591 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.563 -7.831 -5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.778 -6.928 -4.058 1.00 0.00 H new ATOM 1337 N SER A 111 -4.005 -7.432 -1.647 1.00 0.00 N ATOM 1338 CA SER A 111 -3.947 -7.292 -0.203 1.00 0.00 C ATOM 1339 C SER A 111 -2.961 -6.185 0.177 1.00 0.00 C ATOM 1340 O SER A 111 -3.291 -5.300 0.965 1.00 0.00 O ATOM 1341 CB SER A 111 -3.547 -8.611 0.463 1.00 0.00 C ATOM 1342 OG SER A 111 -2.483 -9.257 -0.231 1.00 0.00 O ATOM 0 H SER A 111 -3.243 -7.974 -2.054 1.00 0.00 H new ATOM 0 HA SER A 111 -4.941 -7.023 0.154 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.245 -8.420 1.493 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.411 -9.275 0.501 1.00 0.00 H new ATOM 0 HG SER A 111 -2.255 -10.094 0.225 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.772 -6.273 -0.399 1.00 0.00 N ATOM 1348 CA ARG A 112 -0.736 -5.290 -0.131 1.00 0.00 C ATOM 1349 C ARG A 112 0.244 -5.219 -1.303 1.00 0.00 C ATOM 1350 O ARG A 112 0.579 -6.242 -1.901 1.00 0.00 O ATOM 1351 CB ARG A 112 0.032 -5.634 1.147 1.00 0.00 C ATOM 1352 CG ARG A 112 -0.048 -4.489 2.159 1.00 0.00 C ATOM 1353 CD ARG A 112 1.338 -4.142 2.705 1.00 0.00 C ATOM 1354 NE ARG A 112 1.481 -4.654 4.086 1.00 0.00 N ATOM 1355 CZ ARG A 112 2.639 -4.688 4.759 1.00 0.00 C ATOM 1356 NH1 ARG A 112 3.763 -4.241 4.181 1.00 0.00 N ATOM 1357 NH2 ARG A 112 2.674 -5.170 6.008 1.00 0.00 N ATOM 0 H ARG A 112 -1.502 -7.010 -1.051 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.222 -4.323 -0.000 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.377 -6.543 1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.075 -5.838 0.905 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.487 -3.611 1.686 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.706 -4.771 2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 112 2.108 -4.575 2.066 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.483 -3.062 2.692 1.00 0.00 H new ATOM 0 HE ARG A 112 0.645 -5.003 4.555 1.00 0.00 H new ATOM 0 HH11 ARG A 112 3.736 -3.875 3.229 1.00 0.00 H new ATOM 0 HH12 ARG A 112 4.645 -4.267 4.693 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.819 -5.511 6.447 1.00 0.00 H new ATOM 0 HH22 ARG A 112 3.556 -5.196 6.520 1.00 0.00 H new ATOM 1368 N VAL A 113 0.678 -4.002 -1.598 1.00 0.00 N ATOM 1369 CA VAL A 113 1.614 -3.785 -2.688 1.00 0.00 C ATOM 1370 C VAL A 113 2.974 -3.384 -2.114 1.00 0.00 C ATOM 1371 O VAL A 113 3.059 -2.485 -1.279 1.00 0.00 O ATOM 1372 CB VAL A 113 1.049 -2.752 -3.665 1.00 0.00 C ATOM 1373 CG1 VAL A 113 0.814 -1.410 -2.967 1.00 0.00 C ATOM 1374 CG2 VAL A 113 1.965 -2.586 -4.878 1.00 0.00 C ATOM 0 H VAL A 113 0.399 -3.156 -1.101 1.00 0.00 H new ATOM 0 HA VAL A 113 1.759 -4.704 -3.256 1.00 0.00 H new ATOM 0 HB VAL A 113 0.086 -3.118 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.412 -0.693 -3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.104 -1.544 -2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.758 -1.036 -2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.540 -1.846 -5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.949 -2.253 -4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.060 -3.541 -5.396 1.00 0.00 H new ATOM 1384 N ASN A 114 4.005 -4.070 -2.585 1.00 0.00 N ATOM 1385 CA ASN A 114 5.357 -3.796 -2.129 1.00 0.00 C ATOM 1386 C ASN A 114 6.247 -5.005 -2.430 1.00 0.00 C ATOM 1387 O ASN A 114 5.851 -6.145 -2.194 1.00 0.00 O ATOM 1388 CB ASN A 114 5.391 -3.550 -0.619 1.00 0.00 C ATOM 1389 CG ASN A 114 6.804 -3.739 -0.064 1.00 0.00 C ATOM 1390 OD1 ASN A 114 7.240 -4.839 0.231 1.00 0.00 O ATOM 1391 ND2 ASN A 114 7.491 -2.608 0.064 1.00 0.00 N ATOM 0 H ASN A 114 3.931 -4.815 -3.278 1.00 0.00 H new ATOM 0 HA ASN A 114 5.713 -2.906 -2.648 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.044 -2.539 -0.404 1.00 0.00 H new ATOM 0 HB3 ASN A 114 4.706 -4.235 -0.120 1.00 0.00 H new ATOM 0 HD21 ASN A 114 8.444 -2.628 0.428 1.00 0.00 H new ATOM 0 HD22 ASN A 114 7.066 -1.720 -0.202 1.00 0.00 H new ATOM 1397 N TYR A 115 7.431 -4.713 -2.947 1.00 0.00 N ATOM 1398 CA TYR A 115 8.380 -5.760 -3.283 1.00 0.00 C ATOM 1399 C TYR A 115 9.811 -5.217 -3.308 1.00 0.00 C ATOM 1400 O TYR A 115 10.157 -4.407 -4.167 1.00 0.00 O ATOM 1401 CB TYR A 115 8.003 -6.236 -4.688 1.00 0.00 C ATOM 1402 CG TYR A 115 6.786 -7.162 -4.725 1.00 0.00 C ATOM 1403 CD1 TYR A 115 5.514 -6.632 -4.657 1.00 0.00 C ATOM 1404 CD2 TYR A 115 6.962 -8.527 -4.827 1.00 0.00 C ATOM 1405 CE1 TYR A 115 4.368 -7.504 -4.694 1.00 0.00 C ATOM 1406 CE2 TYR A 115 5.815 -9.399 -4.863 1.00 0.00 C ATOM 1407 CZ TYR A 115 4.576 -8.845 -4.793 1.00 0.00 C ATOM 1408 OH TYR A 115 3.493 -9.667 -4.827 1.00 0.00 O ATOM 0 H TYR A 115 7.755 -3.766 -3.142 1.00 0.00 H new ATOM 0 HA TYR A 115 8.343 -6.562 -2.546 1.00 0.00 H new ATOM 0 HB2 TYR A 115 7.804 -5.366 -5.314 1.00 0.00 H new ATOM 0 HB3 TYR A 115 8.856 -6.755 -5.126 1.00 0.00 H new ATOM 0 HD1 TYR A 115 5.378 -5.564 -4.576 1.00 0.00 H new ATOM 0 HD2 TYR A 115 7.958 -8.941 -4.880 1.00 0.00 H new ATOM 0 HE1 TYR A 115 3.367 -7.103 -4.644 1.00 0.00 H new ATOM 0 HE2 TYR A 115 5.937 -10.469 -4.944 1.00 0.00 H new ATOM 0 HH TYR A 115 3.791 -10.598 -4.900 1.00 0.00 H new ATOM 1417 N SER A 116 10.604 -5.686 -2.356 1.00 0.00 N ATOM 1418 CA SER A 116 11.989 -5.258 -2.257 1.00 0.00 C ATOM 1419 C SER A 116 12.829 -5.955 -3.329 1.00 0.00 C ATOM 1420 O SER A 116 14.042 -5.762 -3.395 1.00 0.00 O ATOM 1421 CB SER A 116 12.557 -5.548 -0.867 1.00 0.00 C ATOM 1422 OG SER A 116 12.708 -6.945 -0.631 1.00 0.00 O ATOM 0 H SER A 116 10.314 -6.358 -1.646 1.00 0.00 H new ATOM 0 HA SER A 116 12.027 -4.181 -2.418 1.00 0.00 H new ATOM 0 HB2 SER A 116 13.524 -5.056 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 116 11.898 -5.122 -0.110 1.00 0.00 H new ATOM 0 HG SER A 116 13.075 -7.087 0.267 1.00 0.00 H new ATOM 1427 N HIS A 117 12.151 -6.749 -4.145 1.00 0.00 N ATOM 1428 CA HIS A 117 12.819 -7.475 -5.211 1.00 0.00 C ATOM 1429 C HIS A 117 13.169 -6.512 -6.347 1.00 0.00 C ATOM 1430 O HIS A 117 13.718 -6.924 -7.367 1.00 0.00 O ATOM 1431 CB HIS A 117 11.970 -8.659 -5.678 1.00 0.00 C ATOM 1432 CG HIS A 117 11.410 -9.496 -4.552 1.00 0.00 C ATOM 1433 ND1 HIS A 117 11.899 -10.752 -4.236 1.00 0.00 N ATOM 1434 CD2 HIS A 117 10.401 -9.243 -3.671 1.00 0.00 C ATOM 1435 CE1 HIS A 117 11.207 -11.224 -3.211 1.00 0.00 C ATOM 1436 NE2 HIS A 117 10.279 -10.288 -2.862 1.00 0.00 N ATOM 0 H HIS A 117 11.145 -6.905 -4.089 1.00 0.00 H new ATOM 0 HA HIS A 117 13.752 -7.897 -4.838 1.00 0.00 H new ATOM 0 HB2 HIS A 117 11.145 -8.285 -6.284 1.00 0.00 H new ATOM 0 HB3 HIS A 117 12.576 -9.295 -6.323 1.00 0.00 H new ATOM 0 HD2 HIS A 117 9.802 -8.345 -3.637 1.00 0.00 H new ATOM 0 HE1 HIS A 117 11.352 -12.182 -2.735 1.00 0.00 H new ATOM 0 HE2 HIS A 117 9.602 -10.376 -2.104 1.00 0.00 H new ATOM 1443 N CYS A 118 12.837 -5.248 -6.131 1.00 0.00 N ATOM 1444 CA CYS A 118 13.109 -4.222 -7.124 1.00 0.00 C ATOM 1445 C CYS A 118 14.508 -3.661 -6.864 1.00 0.00 C ATOM 1446 O CYS A 118 15.255 -3.386 -7.801 1.00 0.00 O ATOM 1447 CB CYS A 118 12.043 -3.125 -7.111 1.00 0.00 C ATOM 1448 SG CYS A 118 12.645 -1.463 -7.583 1.00 0.00 S ATOM 0 H CYS A 118 12.382 -4.911 -5.283 1.00 0.00 H new ATOM 0 HA CYS A 118 13.074 -4.660 -8.122 1.00 0.00 H new ATOM 0 HB2 CYS A 118 11.239 -3.411 -7.790 1.00 0.00 H new ATOM 0 HB3 CYS A 118 11.612 -3.069 -6.112 1.00 0.00 H new ATOM 1452 N GLU A 119 14.821 -3.507 -5.585 1.00 0.00 N ATOM 1453 CA GLU A 119 16.117 -2.984 -5.190 1.00 0.00 C ATOM 1454 C GLU A 119 17.226 -3.621 -6.030 1.00 0.00 C ATOM 1455 O GLU A 119 18.005 -2.918 -6.673 1.00 0.00 O ATOM 1456 CB GLU A 119 16.366 -3.205 -3.697 1.00 0.00 C ATOM 1457 CG GLU A 119 16.637 -1.879 -2.984 1.00 0.00 C ATOM 1458 CD GLU A 119 15.966 -1.849 -1.608 1.00 0.00 C ATOM 1459 OE1 GLU A 119 15.901 -2.930 -0.985 1.00 0.00 O ATOM 1460 OE2 GLU A 119 15.533 -0.745 -1.212 1.00 0.00 O ATOM 0 H GLU A 119 14.199 -3.735 -4.810 1.00 0.00 H new ATOM 0 HA GLU A 119 16.123 -1.909 -5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.500 -3.693 -3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.215 -3.875 -3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 119 17.712 -1.735 -2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 119 16.267 -1.053 -3.591 1.00 0.00 H new ATOM 1465 N PRO A 120 17.263 -4.980 -5.996 1.00 0.00 N ATOM 1466 CA PRO A 120 18.264 -5.720 -6.748 1.00 0.00 C ATOM 1467 C PRO A 120 17.931 -5.731 -8.241 1.00 0.00 C ATOM 1468 O PRO A 120 16.762 -5.685 -8.621 1.00 0.00 O ATOM 1469 CB PRO A 120 18.271 -7.109 -6.130 1.00 0.00 C ATOM 1470 CG PRO A 120 16.959 -7.236 -5.373 1.00 0.00 C ATOM 1471 CD PRO A 120 16.358 -5.846 -5.247 1.00 0.00 C ATOM 0 HA PRO A 120 19.254 -5.267 -6.690 1.00 0.00 H new ATOM 0 HB2 PRO A 120 18.354 -7.878 -6.898 1.00 0.00 H new ATOM 0 HB3 PRO A 120 19.122 -7.234 -5.460 1.00 0.00 H new ATOM 0 HG2 PRO A 120 16.276 -7.901 -5.902 1.00 0.00 H new ATOM 0 HG3 PRO A 120 17.127 -7.670 -4.387 1.00 0.00 H new ATOM 0 HD2 PRO A 120 15.349 -5.813 -5.657 1.00 0.00 H new ATOM 0 HD3 PRO A 120 16.289 -5.538 -4.204 1.00 0.00 H new ATOM 1476 N ILE A 121 18.980 -5.793 -9.047 1.00 0.00 N ATOM 1477 CA ILE A 121 18.814 -5.811 -10.491 1.00 0.00 C ATOM 1478 C ILE A 121 18.246 -7.166 -10.918 1.00 0.00 C ATOM 1479 O ILE A 121 18.841 -8.207 -10.645 1.00 0.00 O ATOM 1480 CB ILE A 121 20.129 -5.449 -11.185 1.00 0.00 C ATOM 1481 CG1 ILE A 121 19.891 -5.086 -12.653 1.00 0.00 C ATOM 1482 CG2 ILE A 121 21.157 -6.571 -11.032 1.00 0.00 C ATOM 1483 CD1 ILE A 121 20.814 -3.946 -13.092 1.00 0.00 C ATOM 0 H ILE A 121 19.948 -5.831 -8.728 1.00 0.00 H new ATOM 0 HA ILE A 121 18.096 -5.052 -10.802 1.00 0.00 H new ATOM 0 HB ILE A 121 20.542 -4.566 -10.697 1.00 0.00 H new ATOM 0 HG12 ILE A 121 20.063 -5.961 -13.280 1.00 0.00 H new ATOM 0 HG13 ILE A 121 18.851 -4.792 -12.795 1.00 0.00 H new ATOM 0 HG21 ILE A 121 22.082 -6.288 -11.534 1.00 0.00 H new ATOM 0 HG22 ILE A 121 21.356 -6.740 -9.974 1.00 0.00 H new ATOM 0 HG23 ILE A 121 20.767 -7.485 -11.479 1.00 0.00 H new ATOM 0 HD11 ILE A 121 20.625 -3.707 -14.139 1.00 0.00 H new ATOM 0 HD12 ILE A 121 20.622 -3.066 -12.479 1.00 0.00 H new ATOM 0 HD13 ILE A 121 21.853 -4.252 -12.972 1.00 0.00 H new ATOM 1494 N LEU A 122 17.101 -7.107 -11.582 1.00 0.00 N ATOM 1495 CA LEU A 122 16.445 -8.317 -12.049 1.00 0.00 C ATOM 1496 C LEU A 122 15.229 -7.938 -12.897 1.00 0.00 C ATOM 1497 O LEU A 122 14.145 -8.488 -12.716 1.00 0.00 O ATOM 1498 CB LEU A 122 16.110 -9.235 -10.871 1.00 0.00 C ATOM 1499 CG LEU A 122 15.217 -8.633 -9.785 1.00 0.00 C ATOM 1500 CD1 LEU A 122 13.773 -9.116 -9.933 1.00 0.00 C ATOM 1501 CD2 LEU A 122 15.779 -8.923 -8.391 1.00 0.00 C ATOM 0 H LEU A 122 16.611 -6.241 -11.808 1.00 0.00 H new ATOM 0 HA LEU A 122 17.116 -8.890 -12.689 1.00 0.00 H new ATOM 0 HB2 LEU A 122 15.623 -10.129 -11.260 1.00 0.00 H new ATOM 0 HB3 LEU A 122 17.044 -9.556 -10.409 1.00 0.00 H new ATOM 0 HG LEU A 122 15.208 -7.550 -9.910 1.00 0.00 H new ATOM 0 HD11 LEU A 122 13.159 -8.673 -9.149 1.00 0.00 H new ATOM 0 HD12 LEU A 122 13.387 -8.817 -10.908 1.00 0.00 H new ATOM 0 HD13 LEU A 122 13.742 -10.202 -9.848 1.00 0.00 H new ATOM 0 HD21 LEU A 122 15.126 -8.484 -7.637 1.00 0.00 H new ATOM 0 HD22 LEU A 122 15.836 -10.001 -8.239 1.00 0.00 H new ATOM 0 HD23 LEU A 122 16.776 -8.491 -8.303 1.00 0.00 H new ATOM 1512 N ASP A 123 15.451 -6.998 -13.806 1.00 0.00 N ATOM 1513 CA ASP A 123 14.387 -6.539 -14.682 1.00 0.00 C ATOM 1514 C ASP A 123 14.909 -6.472 -16.119 1.00 0.00 C ATOM 1515 O ASP A 123 15.576 -5.510 -16.496 1.00 0.00 O ATOM 1516 CB ASP A 123 13.914 -5.139 -14.286 1.00 0.00 C ATOM 1517 CG ASP A 123 12.419 -5.026 -13.977 1.00 0.00 C ATOM 1518 OD1 ASP A 123 11.703 -6.008 -14.269 1.00 0.00 O ATOM 1519 OD2 ASP A 123 12.026 -3.959 -13.457 1.00 0.00 O ATOM 0 H ASP A 123 16.352 -6.543 -13.954 1.00 0.00 H new ATOM 0 HA ASP A 123 13.555 -7.239 -14.598 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.476 -4.816 -13.410 1.00 0.00 H new ATOM 0 HB3 ASP A 123 14.156 -4.448 -15.093 1.00 0.00 H new ATOM 1523 N ASP A 124 14.588 -7.508 -16.880 1.00 0.00 N ATOM 1524 CA ASP A 124 15.016 -7.578 -18.267 1.00 0.00 C ATOM 1525 C ASP A 124 14.476 -8.864 -18.898 1.00 0.00 C ATOM 1526 O ASP A 124 15.120 -9.909 -18.832 1.00 0.00 O ATOM 1527 CB ASP A 124 16.542 -7.605 -18.371 1.00 0.00 C ATOM 1528 CG ASP A 124 17.118 -6.901 -19.601 1.00 0.00 C ATOM 1529 OD1 ASP A 124 16.384 -6.831 -20.611 1.00 0.00 O ATOM 1530 OD2 ASP A 124 18.279 -6.447 -19.504 1.00 0.00 O ATOM 0 H ASP A 124 14.037 -8.305 -16.563 1.00 0.00 H new ATOM 0 HA ASP A 124 14.635 -6.697 -18.783 1.00 0.00 H new ATOM 0 HB2 ASP A 124 16.960 -7.143 -17.477 1.00 0.00 H new ATOM 0 HB3 ASP A 124 16.873 -8.644 -18.377 1.00 0.00 H new ATOM 1534 N LYS A 125 13.300 -8.743 -19.495 1.00 0.00 N ATOM 1535 CA LYS A 125 12.666 -9.882 -20.137 1.00 0.00 C ATOM 1536 C LYS A 125 12.818 -11.116 -19.243 1.00 0.00 C ATOM 1537 O LYS A 125 13.448 -12.096 -19.635 1.00 0.00 O ATOM 1538 CB LYS A 125 13.219 -10.076 -21.551 1.00 0.00 C ATOM 1539 CG LYS A 125 12.818 -8.912 -22.460 1.00 0.00 C ATOM 1540 CD LYS A 125 11.532 -9.232 -23.225 1.00 0.00 C ATOM 1541 CE LYS A 125 10.415 -8.254 -22.853 1.00 0.00 C ATOM 1542 NZ LYS A 125 9.376 -8.229 -23.908 1.00 0.00 N ATOM 0 H LYS A 125 12.769 -7.874 -19.548 1.00 0.00 H new ATOM 0 HA LYS A 125 11.597 -9.705 -20.258 1.00 0.00 H new ATOM 0 HB2 LYS A 125 14.305 -10.155 -21.513 1.00 0.00 H new ATOM 0 HB3 LYS A 125 12.846 -11.012 -21.966 1.00 0.00 H new ATOM 0 HG2 LYS A 125 12.676 -8.012 -21.862 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.622 -8.703 -23.165 1.00 0.00 H new ATOM 0 HD2 LYS A 125 11.721 -9.183 -24.297 1.00 0.00 H new ATOM 0 HD3 LYS A 125 11.217 -10.251 -23.003 1.00 0.00 H new ATOM 0 HE2 LYS A 125 9.969 -8.546 -21.902 1.00 0.00 H new ATOM 0 HE3 LYS A 125 10.829 -7.255 -22.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 8.625 -7.561 -23.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 9.802 -7.929 -24.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 8.970 -9.180 -24.018 1.00 0.00 H new ATOM 1552 N GLN A 126 12.229 -11.025 -18.061 1.00 0.00 N ATOM 1553 CA GLN A 126 12.290 -12.121 -17.108 1.00 0.00 C ATOM 1554 C GLN A 126 10.990 -12.927 -17.142 1.00 0.00 C ATOM 1555 O GLN A 126 9.917 -12.392 -16.870 1.00 0.00 O ATOM 1556 CB GLN A 126 12.579 -11.605 -15.697 1.00 0.00 C ATOM 1557 CG GLN A 126 13.757 -12.354 -15.070 1.00 0.00 C ATOM 1558 CD GLN A 126 13.395 -12.878 -13.679 1.00 0.00 C ATOM 1559 OE1 GLN A 126 13.036 -12.135 -12.780 1.00 0.00 O ATOM 1560 NE2 GLN A 126 13.510 -14.197 -13.552 1.00 0.00 N ATOM 0 H GLN A 126 11.707 -10.210 -17.740 1.00 0.00 H new ATOM 0 HA GLN A 126 13.110 -12.780 -17.393 1.00 0.00 H new ATOM 0 HB2 GLN A 126 12.800 -10.538 -15.734 1.00 0.00 H new ATOM 0 HB3 GLN A 126 11.693 -11.726 -15.073 1.00 0.00 H new ATOM 0 HG2 GLN A 126 14.047 -13.186 -15.712 1.00 0.00 H new ATOM 0 HG3 GLN A 126 14.619 -11.690 -15.000 1.00 0.00 H new ATOM 0 HE21 GLN A 126 13.816 -14.761 -14.345 1.00 0.00 H new ATOM 0 HE22 GLN A 126 13.292 -14.645 -12.662 1.00 0.00 H new ATOM 1567 N ARG A 127 11.131 -14.201 -17.479 1.00 0.00 N ATOM 1568 CA ARG A 127 9.980 -15.086 -17.552 1.00 0.00 C ATOM 1569 C ARG A 127 9.001 -14.597 -18.620 1.00 0.00 C ATOM 1570 O ARG A 127 8.841 -13.393 -18.816 1.00 0.00 O ATOM 1571 CB ARG A 127 9.259 -15.164 -16.205 1.00 0.00 C ATOM 1572 CG ARG A 127 9.003 -16.618 -15.802 1.00 0.00 C ATOM 1573 CD ARG A 127 10.271 -17.261 -15.237 1.00 0.00 C ATOM 1574 NE ARG A 127 9.939 -18.547 -14.586 1.00 0.00 N ATOM 1575 CZ ARG A 127 10.837 -19.339 -13.984 1.00 0.00 C ATOM 1576 NH1 ARG A 127 12.129 -18.981 -13.949 1.00 0.00 N ATOM 1577 NH2 ARG A 127 10.446 -20.489 -13.419 1.00 0.00 N ATOM 0 H ARG A 127 12.023 -14.641 -17.704 1.00 0.00 H new ATOM 0 HA ARG A 127 10.342 -16.080 -17.815 1.00 0.00 H new ATOM 0 HB2 ARG A 127 9.858 -14.671 -15.439 1.00 0.00 H new ATOM 0 HB3 ARG A 127 8.312 -14.627 -16.264 1.00 0.00 H new ATOM 0 HG2 ARG A 127 8.208 -16.658 -15.058 1.00 0.00 H new ATOM 0 HG3 ARG A 127 8.658 -17.184 -16.668 1.00 0.00 H new ATOM 0 HD2 ARG A 127 10.993 -17.425 -16.037 1.00 0.00 H new ATOM 0 HD3 ARG A 127 10.739 -16.590 -14.517 1.00 0.00 H new ATOM 0 HE ARG A 127 8.965 -18.850 -14.596 1.00 0.00 H new ATOM 0 HH11 ARG A 127 12.428 -18.106 -14.380 1.00 0.00 H new ATOM 0 HH12 ARG A 127 12.813 -19.583 -13.491 1.00 0.00 H new ATOM 0 HH21 ARG A 127 9.464 -20.763 -13.447 1.00 0.00 H new ATOM 0 HH22 ARG A 127 11.130 -21.091 -12.961 1.00 0.00 H new ATOM 1588 N LYS A 128 8.372 -15.556 -19.284 1.00 0.00 N ATOM 1589 CA LYS A 128 7.412 -15.238 -20.328 1.00 0.00 C ATOM 1590 C LYS A 128 6.074 -15.906 -20.005 1.00 0.00 C ATOM 1591 O LYS A 128 5.990 -17.131 -19.936 1.00 0.00 O ATOM 1592 CB LYS A 128 7.972 -15.611 -21.702 1.00 0.00 C ATOM 1593 CG LYS A 128 7.051 -15.120 -22.821 1.00 0.00 C ATOM 1594 CD LYS A 128 7.494 -13.748 -23.332 1.00 0.00 C ATOM 1595 CE LYS A 128 6.440 -13.143 -24.262 1.00 0.00 C ATOM 1596 NZ LYS A 128 6.416 -11.669 -24.129 1.00 0.00 N ATOM 0 H LYS A 128 8.508 -16.553 -19.119 1.00 0.00 H new ATOM 0 HA LYS A 128 7.230 -14.164 -20.365 1.00 0.00 H new ATOM 0 HB2 LYS A 128 8.964 -15.176 -21.825 1.00 0.00 H new ATOM 0 HB3 LYS A 128 8.088 -16.693 -21.770 1.00 0.00 H new ATOM 0 HG2 LYS A 128 7.056 -15.837 -23.642 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.026 -15.062 -22.454 1.00 0.00 H new ATOM 0 HD2 LYS A 128 7.666 -13.080 -22.488 1.00 0.00 H new ATOM 0 HD3 LYS A 128 8.441 -13.842 -23.863 1.00 0.00 H new ATOM 0 HE2 LYS A 128 6.657 -13.417 -25.294 1.00 0.00 H new ATOM 0 HE3 LYS A 128 5.458 -13.552 -24.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 6.311 -11.237 -25.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 5.616 -11.388 -23.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 7.305 -11.345 -23.697 1.00 0.00 H new ATOM 1606 N TYR A 129 5.062 -15.071 -19.818 1.00 0.00 N ATOM 1607 CA TYR A 129 3.733 -15.567 -19.505 1.00 0.00 C ATOM 1608 C TYR A 129 3.229 -16.513 -20.597 1.00 0.00 C ATOM 1609 O TYR A 129 3.329 -16.206 -21.784 1.00 0.00 O ATOM 1610 CB TYR A 129 2.825 -14.335 -19.456 1.00 0.00 C ATOM 1611 CG TYR A 129 2.819 -13.514 -20.747 1.00 0.00 C ATOM 1612 CD1 TYR A 129 1.973 -13.860 -21.780 1.00 0.00 C ATOM 1613 CD2 TYR A 129 3.661 -12.428 -20.877 1.00 0.00 C ATOM 1614 CE1 TYR A 129 1.968 -13.087 -22.995 1.00 0.00 C ATOM 1615 CE2 TYR A 129 3.655 -11.654 -22.092 1.00 0.00 C ATOM 1616 CZ TYR A 129 2.809 -12.023 -23.091 1.00 0.00 C ATOM 1617 OH TYR A 129 2.803 -11.292 -24.239 1.00 0.00 O ATOM 0 H TYR A 129 5.136 -14.055 -19.877 1.00 0.00 H new ATOM 0 HA TYR A 129 3.741 -16.120 -18.566 1.00 0.00 H new ATOM 0 HB2 TYR A 129 1.807 -14.656 -19.237 1.00 0.00 H new ATOM 0 HB3 TYR A 129 3.142 -13.695 -18.632 1.00 0.00 H new ATOM 0 HD1 TYR A 129 1.315 -14.710 -21.678 1.00 0.00 H new ATOM 0 HD2 TYR A 129 4.324 -12.159 -20.068 1.00 0.00 H new ATOM 0 HE1 TYR A 129 1.311 -13.347 -23.812 1.00 0.00 H new ATOM 0 HE2 TYR A 129 4.307 -10.801 -22.207 1.00 0.00 H new ATOM 0 HH TYR A 129 3.453 -10.562 -24.166 1.00 0.00 H new ATOM 1626 N ASP A 130 2.698 -17.644 -20.156 1.00 0.00 N ATOM 1627 CA ASP A 130 2.178 -18.636 -21.080 1.00 0.00 C ATOM 1628 C ASP A 130 1.235 -19.580 -20.331 1.00 0.00 C ATOM 1629 O ASP A 130 1.210 -19.591 -19.102 1.00 0.00 O ATOM 1630 CB ASP A 130 3.308 -19.476 -21.680 1.00 0.00 C ATOM 1631 CG ASP A 130 4.361 -18.683 -22.456 1.00 0.00 C ATOM 1632 OD1 ASP A 130 3.994 -18.151 -23.526 1.00 0.00 O ATOM 1633 OD2 ASP A 130 5.508 -18.627 -21.963 1.00 0.00 O ATOM 0 H ASP A 130 2.617 -17.895 -19.171 1.00 0.00 H new ATOM 0 HA ASP A 130 1.655 -18.111 -21.879 1.00 0.00 H new ATOM 0 HB2 ASP A 130 3.804 -20.019 -20.875 1.00 0.00 H new ATOM 0 HB3 ASP A 130 2.872 -20.221 -22.346 1.00 0.00 H new ATOM 1637 N LEU A 131 0.481 -20.348 -21.104 1.00 0.00 N ATOM 1638 CA LEU A 131 -0.462 -21.292 -20.529 1.00 0.00 C ATOM 1639 C LEU A 131 -0.853 -22.325 -21.589 1.00 0.00 C ATOM 1640 O LEU A 131 -0.732 -22.069 -22.785 1.00 0.00 O ATOM 1641 CB LEU A 131 -1.656 -20.554 -19.921 1.00 0.00 C ATOM 1642 CG LEU A 131 -2.374 -21.270 -18.775 1.00 0.00 C ATOM 1643 CD1 LEU A 131 -1.801 -20.848 -17.420 1.00 0.00 C ATOM 1644 CD2 LEU A 131 -3.886 -21.050 -18.852 1.00 0.00 C ATOM 0 H LEU A 131 0.504 -20.336 -22.124 1.00 0.00 H new ATOM 0 HA LEU A 131 -0.001 -21.837 -19.706 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.313 -19.585 -19.559 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -2.380 -20.361 -20.713 1.00 0.00 H new ATOM 0 HG LEU A 131 -2.199 -22.341 -18.879 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -2.329 -21.371 -16.623 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.741 -21.099 -17.379 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.924 -19.773 -17.292 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -4.372 -21.570 -18.026 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -4.102 -19.984 -18.787 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -4.263 -21.440 -19.798 1.00 0.00 H new ATOM 1655 N HIS A 132 -1.313 -23.471 -21.109 1.00 0.00 N ATOM 1656 CA HIS A 132 -1.722 -24.544 -22.001 1.00 0.00 C ATOM 1657 C HIS A 132 -3.224 -24.442 -22.271 1.00 0.00 C ATOM 1658 O HIS A 132 -3.983 -23.993 -21.414 1.00 0.00 O ATOM 1659 CB HIS A 132 -1.313 -25.906 -21.435 1.00 0.00 C ATOM 1660 CG HIS A 132 -0.160 -26.553 -22.164 1.00 0.00 C ATOM 1661 ND1 HIS A 132 0.887 -27.176 -21.508 1.00 0.00 N ATOM 1662 CD2 HIS A 132 0.098 -26.668 -23.498 1.00 0.00 C ATOM 1663 CE1 HIS A 132 1.732 -27.641 -22.416 1.00 0.00 C ATOM 1664 NE2 HIS A 132 1.242 -27.324 -23.649 1.00 0.00 N ATOM 0 H HIS A 132 -1.412 -23.680 -20.116 1.00 0.00 H new ATOM 0 HA HIS A 132 -1.208 -24.443 -22.957 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -1.044 -25.786 -20.385 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -2.173 -26.575 -21.469 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -0.523 -26.290 -24.296 1.00 0.00 H new ATOM 0 HE1 HIS A 132 2.648 -28.177 -22.215 1.00 0.00 H new ATOM 0 HE2 HIS A 132 1.682 -27.553 -24.540 1.00 0.00 H new ATOM 1672 N TYR A 133 -3.608 -24.865 -23.466 1.00 0.00 N ATOM 1673 CA TYR A 133 -5.006 -24.827 -23.861 1.00 0.00 C ATOM 1674 C TYR A 133 -5.877 -25.603 -22.871 1.00 0.00 C ATOM 1675 O TYR A 133 -5.964 -26.828 -22.943 1.00 0.00 O ATOM 1676 CB TYR A 133 -5.076 -25.509 -25.229 1.00 0.00 C ATOM 1677 CG TYR A 133 -6.441 -25.393 -25.912 1.00 0.00 C ATOM 1678 CD1 TYR A 133 -6.827 -24.197 -26.482 1.00 0.00 C ATOM 1679 CD2 TYR A 133 -7.284 -26.485 -25.959 1.00 0.00 C ATOM 1680 CE1 TYR A 133 -8.111 -24.088 -27.125 1.00 0.00 C ATOM 1681 CE2 TYR A 133 -8.568 -26.376 -26.602 1.00 0.00 C ATOM 1682 CZ TYR A 133 -8.918 -25.183 -27.153 1.00 0.00 C ATOM 1683 OH TYR A 133 -10.130 -25.079 -27.761 1.00 0.00 O ATOM 0 H TYR A 133 -2.975 -25.236 -24.174 1.00 0.00 H new ATOM 0 HA TYR A 133 -5.370 -23.800 -23.887 1.00 0.00 H new ATOM 0 HB2 TYR A 133 -4.317 -25.074 -25.880 1.00 0.00 H new ATOM 0 HB3 TYR A 133 -4.828 -26.564 -25.111 1.00 0.00 H new ATOM 0 HD1 TYR A 133 -6.167 -23.343 -26.446 1.00 0.00 H new ATOM 0 HD2 TYR A 133 -6.981 -27.421 -25.514 1.00 0.00 H new ATOM 0 HE1 TYR A 133 -8.426 -23.158 -27.575 1.00 0.00 H new ATOM 0 HE2 TYR A 133 -9.238 -27.222 -26.646 1.00 0.00 H new ATOM 0 HH TYR A 133 -10.598 -25.938 -27.706 1.00 0.00 H new TER 1692 TYR A 133