USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 965 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 18 GLN : amide:sc= -1.34! K(o=-1.3!,f=-0.48) USER MOD Set 1.2: A 97 TYR OH : rot -154:sc= 0.0675 USER MOD Set 2.1: A 15 TYR OH : rot 30:sc= -0.885 USER MOD Set 2.2: A 46 SER OG : rot 83:sc= 0.635 USER MOD Single : A 1 SER N :NH3+ -156:sc= -1.23 (180deg=-2.28!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl -162:sc= -0.357 (180deg=-0.593) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 8 GLN : amide:sc= -0.705 K(o=-0.71,f=-5.8!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= 1.15 (180deg=1.14) USER MOD Single : A 26 GLN : amide:sc= -0.0754 X(o=-0.075,f=-0.53) USER MOD Single : A 28 SER OG : rot 153:sc= 0.129 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0138) USER MOD Single : A 34 ASN : amide:sc= -0.102 K(o=-0.1,f=-3.9!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 175:sc= 0.344 USER MOD Single : A 59 CYS SG : rot 171:sc= -4.69! USER MOD Single : A 60 LYS NZ :NH3+ 175:sc= 1.12 (180deg=1.02) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 72 ASN : amide:sc= 0.637 K(o=0.64,f=-0.43) USER MOD Single : A 73 TYR OH : rot -15:sc= 0.931 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.31) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -26:sc= 0.513 USER MOD Single : A 86 HIS : no HD1:sc= -1.66 X(o=-1.7,f=-2) USER MOD Single : A 87 TYR OH : rot 180:sc= -1.1 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.383 USER MOD Single : A 94 TYR OH : rot -153:sc= 0.447 USER MOD Single : A 96 MET CE :methyl 133:sc= -0.551 (180deg=-3.21!) USER MOD Single : A 98 GLN : amide:sc= -3.43! C(o=-3.4!,f=-6.5!) USER MOD Single : A 99 SER OG : rot 18:sc= 1.21 USER MOD Single : A 102 ASN : amide:sc= -0.301 K(o=-0.3,f=-3.1!) USER MOD Single : A 105 CYS SG : rot -37:sc=-0.00572 USER MOD Single : A 106 ASN : amide:sc= -0.764! C(o=-0.76!,f=-8.8!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.8!) USER MOD Single : A 115 LYS NZ :NH3+ -134:sc= -1.13 (180deg=-2.51!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.579 14.435 -1.387 1.00 0.00 N ATOM 2 CA SER A 1 4.766 14.269 -2.615 1.00 0.00 C ATOM 3 C SER A 1 5.465 13.344 -3.618 1.00 0.00 C ATOM 4 O SER A 1 6.389 12.618 -3.254 1.00 0.00 O ATOM 5 CB SER A 1 4.493 15.645 -3.236 1.00 0.00 C ATOM 6 OG SER A 1 3.800 16.483 -2.325 1.00 0.00 O ATOM 0 H1 SER A 1 4.960 14.699 -0.594 1.00 0.00 H new ATOM 0 H2 SER A 1 6.061 13.540 -1.166 1.00 0.00 H new ATOM 0 H3 SER A 1 6.287 15.182 -1.538 1.00 0.00 H new ATOM 0 HA SER A 1 3.817 13.803 -2.350 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.435 16.113 -3.522 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.906 15.527 -4.147 1.00 0.00 H new ATOM 0 HG SER A 1 3.638 17.355 -2.741 1.00 0.00 H new ATOM 14 N MET A 2 5.015 13.375 -4.877 1.00 0.00 N ATOM 15 CA MET A 2 5.502 12.455 -5.912 1.00 0.00 C ATOM 16 C MET A 2 7.030 12.502 -6.047 1.00 0.00 C ATOM 17 O MET A 2 7.703 11.478 -5.916 1.00 0.00 O ATOM 18 CB MET A 2 4.846 12.778 -7.264 1.00 0.00 C ATOM 19 CG MET A 2 3.320 12.809 -7.216 1.00 0.00 C ATOM 20 SD MET A 2 2.601 11.265 -6.613 1.00 0.00 S ATOM 21 CE MET A 2 3.099 10.120 -7.898 1.00 0.00 C ATOM 0 H MET A 2 4.308 14.033 -5.206 1.00 0.00 H new ATOM 0 HA MET A 2 5.226 11.446 -5.607 1.00 0.00 H new ATOM 0 HB2 MET A 2 5.209 13.745 -7.612 1.00 0.00 H new ATOM 0 HB3 MET A 2 5.162 12.036 -7.997 1.00 0.00 H new ATOM 0 HG2 MET A 2 2.999 13.628 -6.573 1.00 0.00 H new ATOM 0 HG3 MET A 2 2.935 13.017 -8.214 1.00 0.00 H new ATOM 0 HE1 MET A 2 2.482 9.223 -7.845 1.00 0.00 H new ATOM 0 HE2 MET A 2 2.973 10.590 -8.873 1.00 0.00 H new ATOM 0 HE3 MET A 2 4.145 9.849 -7.758 1.00 0.00 H new ATOM 31 N ASN A 3 7.571 13.696 -6.292 1.00 0.00 N ATOM 32 CA ASN A 3 9.019 13.873 -6.472 1.00 0.00 C ATOM 33 C ASN A 3 9.781 13.420 -5.227 1.00 0.00 C ATOM 34 O ASN A 3 10.890 12.897 -5.314 1.00 0.00 O ATOM 35 CB ASN A 3 9.350 15.343 -6.777 1.00 0.00 C ATOM 36 CG ASN A 3 10.825 15.569 -7.078 1.00 0.00 C ATOM 37 OD1 ASN A 3 11.495 14.709 -7.653 1.00 0.00 O ATOM 38 ND2 ASN A 3 11.342 16.730 -6.702 1.00 0.00 N ATOM 0 H ASN A 3 7.031 14.558 -6.371 1.00 0.00 H new ATOM 0 HA ASN A 3 9.329 13.257 -7.316 1.00 0.00 H new ATOM 0 HB2 ASN A 3 8.756 15.675 -7.629 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.060 15.959 -5.926 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.324 16.935 -6.887 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.758 17.419 -6.228 1.00 0.00 H new ATOM 45 N GLU A 4 9.154 13.609 -4.070 1.00 0.00 N ATOM 46 CA GLU A 4 9.738 13.228 -2.785 1.00 0.00 C ATOM 47 C GLU A 4 10.072 11.729 -2.762 1.00 0.00 C ATOM 48 O GLU A 4 10.971 11.289 -2.040 1.00 0.00 O ATOM 49 CB GLU A 4 8.761 13.601 -1.662 1.00 0.00 C ATOM 50 CG GLU A 4 9.242 13.282 -0.252 1.00 0.00 C ATOM 51 CD GLU A 4 8.275 13.791 0.808 1.00 0.00 C ATOM 52 OE1 GLU A 4 7.064 13.488 0.710 1.00 0.00 O ATOM 53 OE2 GLU A 4 8.713 14.515 1.723 1.00 0.00 O ATOM 0 H GLU A 4 8.228 14.030 -3.995 1.00 0.00 H new ATOM 0 HA GLU A 4 10.673 13.767 -2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.551 14.669 -1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.819 13.080 -1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.363 12.204 -0.145 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.223 13.730 -0.093 1.00 0.00 H new ATOM 60 N LEU A 5 9.347 10.951 -3.567 1.00 0.00 N ATOM 61 CA LEU A 5 9.646 9.531 -3.747 1.00 0.00 C ATOM 62 C LEU A 5 10.578 9.347 -4.948 1.00 0.00 C ATOM 63 O LEU A 5 11.558 8.606 -4.884 1.00 0.00 O ATOM 64 CB LEU A 5 8.357 8.721 -3.963 1.00 0.00 C ATOM 65 CG LEU A 5 8.553 7.194 -4.057 1.00 0.00 C ATOM 66 CD1 LEU A 5 8.947 6.613 -2.699 1.00 0.00 C ATOM 67 CD2 LEU A 5 7.301 6.506 -4.598 1.00 0.00 C ATOM 0 H LEU A 5 8.547 11.282 -4.106 1.00 0.00 H new ATOM 0 HA LEU A 5 10.135 9.166 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.671 8.934 -3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.878 9.067 -4.879 1.00 0.00 H new ATOM 0 HG LEU A 5 9.365 7.006 -4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 5 9.080 5.535 -2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 5 9.880 7.067 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.162 6.822 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.471 5.431 -4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.460 6.707 -3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.077 6.889 -5.594 1.00 0.00 H new ATOM 79 N GLU A 6 10.267 10.059 -6.034 1.00 0.00 N ATOM 80 CA GLU A 6 11.010 9.957 -7.297 1.00 0.00 C ATOM 81 C GLU A 6 12.440 10.504 -7.155 1.00 0.00 C ATOM 82 O GLU A 6 13.261 10.383 -8.069 1.00 0.00 O ATOM 83 CB GLU A 6 10.250 10.720 -8.395 1.00 0.00 C ATOM 84 CG GLU A 6 10.845 10.573 -9.791 1.00 0.00 C ATOM 85 CD GLU A 6 10.128 11.420 -10.828 1.00 0.00 C ATOM 86 OE1 GLU A 6 10.378 12.644 -10.874 1.00 0.00 O ATOM 87 OE2 GLU A 6 9.313 10.873 -11.598 1.00 0.00 O ATOM 0 H GLU A 6 9.493 10.723 -6.065 1.00 0.00 H new ATOM 0 HA GLU A 6 11.090 8.905 -7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.218 10.371 -8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 6 10.224 11.778 -8.134 1.00 0.00 H new ATOM 0 HG2 GLU A 6 11.898 10.854 -9.764 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.802 9.526 -10.091 1.00 0.00 H new ATOM 94 N ALA A 7 12.721 11.102 -5.998 1.00 0.00 N ATOM 95 CA ALA A 7 14.027 11.689 -5.693 1.00 0.00 C ATOM 96 C ALA A 7 15.196 10.765 -6.056 1.00 0.00 C ATOM 97 O ALA A 7 16.270 11.241 -6.434 1.00 0.00 O ATOM 98 CB ALA A 7 14.093 12.065 -4.217 1.00 0.00 C ATOM 0 H ALA A 7 12.045 11.194 -5.240 1.00 0.00 H new ATOM 0 HA ALA A 7 14.129 12.582 -6.310 1.00 0.00 H new ATOM 0 HB1 ALA A 7 15.067 12.501 -3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.311 12.790 -3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.948 11.173 -3.607 1.00 0.00 H new ATOM 104 N GLN A 8 15.002 9.451 -5.922 1.00 0.00 N ATOM 105 CA GLN A 8 16.051 8.486 -6.273 1.00 0.00 C ATOM 106 C GLN A 8 15.805 7.947 -7.687 1.00 0.00 C ATOM 107 O GLN A 8 14.663 7.673 -8.063 1.00 0.00 O ATOM 108 CB GLN A 8 16.101 7.341 -5.241 1.00 0.00 C ATOM 109 CG GLN A 8 17.511 7.021 -4.744 1.00 0.00 C ATOM 110 CD GLN A 8 18.446 6.548 -5.846 1.00 0.00 C ATOM 111 OE1 GLN A 8 18.026 5.901 -6.803 1.00 0.00 O ATOM 112 NE2 GLN A 8 19.719 6.883 -5.731 1.00 0.00 N ATOM 0 H GLN A 8 14.138 9.032 -5.577 1.00 0.00 H new ATOM 0 HA GLN A 8 17.019 8.987 -6.257 1.00 0.00 H new ATOM 0 HB2 GLN A 8 15.476 7.605 -4.388 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.670 6.444 -5.686 1.00 0.00 H new ATOM 0 HG2 GLN A 8 17.934 7.910 -4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 8 17.451 6.252 -3.973 1.00 0.00 H new ATOM 0 HE21 GLN A 8 20.034 7.421 -4.923 1.00 0.00 H new ATOM 0 HE22 GLN A 8 20.387 6.604 -6.450 1.00 0.00 H new ATOM 121 N THR A 9 16.882 7.744 -8.443 1.00 0.00 N ATOM 122 CA THR A 9 16.785 7.538 -9.886 1.00 0.00 C ATOM 123 C THR A 9 16.815 6.058 -10.295 1.00 0.00 C ATOM 124 O THR A 9 17.477 5.230 -9.670 1.00 0.00 O ATOM 125 CB THR A 9 17.925 8.294 -10.607 1.00 0.00 C ATOM 126 OG1 THR A 9 17.980 9.652 -10.141 1.00 0.00 O ATOM 127 CG2 THR A 9 17.730 8.289 -12.118 1.00 0.00 C ATOM 0 H THR A 9 17.834 7.718 -8.079 1.00 0.00 H new ATOM 0 HA THR A 9 15.814 7.932 -10.187 1.00 0.00 H new ATOM 0 HB THR A 9 18.860 7.782 -10.380 1.00 0.00 H new ATOM 0 HG1 THR A 9 18.705 10.126 -10.600 1.00 0.00 H new ATOM 0 HG21 THR A 9 18.549 8.829 -12.592 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.716 7.261 -12.480 1.00 0.00 H new ATOM 0 HG23 THR A 9 16.785 8.774 -12.365 1.00 0.00 H new ATOM 135 N ARG A 10 16.053 5.758 -11.355 1.00 0.00 N ATOM 136 CA ARG A 10 15.976 4.429 -11.989 1.00 0.00 C ATOM 137 C ARG A 10 15.491 3.325 -11.045 1.00 0.00 C ATOM 138 O ARG A 10 15.401 2.167 -11.450 1.00 0.00 O ATOM 139 CB ARG A 10 17.344 4.017 -12.551 1.00 0.00 C ATOM 140 CG ARG A 10 17.862 4.887 -13.690 1.00 0.00 C ATOM 141 CD ARG A 10 19.213 4.386 -14.193 1.00 0.00 C ATOM 142 NE ARG A 10 19.143 2.990 -14.640 1.00 0.00 N ATOM 143 CZ ARG A 10 19.606 1.946 -13.940 1.00 0.00 C ATOM 144 NH1 ARG A 10 20.186 2.132 -12.758 1.00 0.00 N ATOM 145 NH2 ARG A 10 19.480 0.719 -14.423 1.00 0.00 N ATOM 0 H ARG A 10 15.456 6.449 -11.810 1.00 0.00 H new ATOM 0 HA ARG A 10 15.241 4.532 -12.787 1.00 0.00 H new ATOM 0 HB2 ARG A 10 18.073 4.034 -11.741 1.00 0.00 H new ATOM 0 HB3 ARG A 10 17.281 2.987 -12.901 1.00 0.00 H new ATOM 0 HG2 ARG A 10 17.142 4.886 -14.509 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.957 5.918 -13.350 1.00 0.00 H new ATOM 0 HD2 ARG A 10 19.551 5.015 -15.017 1.00 0.00 H new ATOM 0 HD3 ARG A 10 19.953 4.477 -13.398 1.00 0.00 H new ATOM 0 HE ARG A 10 18.712 2.802 -15.545 1.00 0.00 H new ATOM 0 HH11 ARG A 10 20.281 3.074 -12.379 1.00 0.00 H new ATOM 0 HH12 ARG A 10 20.536 1.332 -12.230 1.00 0.00 H new ATOM 0 HH21 ARG A 10 19.031 0.570 -15.327 1.00 0.00 H new ATOM 0 HH22 ARG A 10 19.832 -0.077 -13.891 1.00 0.00 H new ATOM 159 N VAL A 11 15.153 3.675 -9.813 1.00 0.00 N ATOM 160 CA VAL A 11 14.548 2.727 -8.887 1.00 0.00 C ATOM 161 C VAL A 11 13.110 3.131 -8.597 1.00 0.00 C ATOM 162 O VAL A 11 12.183 2.329 -8.704 1.00 0.00 O ATOM 163 CB VAL A 11 15.364 2.604 -7.569 1.00 0.00 C ATOM 164 CG1 VAL A 11 15.570 3.967 -6.913 1.00 0.00 C ATOM 165 CG2 VAL A 11 14.693 1.625 -6.604 1.00 0.00 C ATOM 0 H VAL A 11 15.287 4.611 -9.430 1.00 0.00 H new ATOM 0 HA VAL A 11 14.554 1.745 -9.359 1.00 0.00 H new ATOM 0 HB VAL A 11 16.348 2.210 -7.822 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.144 3.846 -5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 11 16.112 4.621 -7.596 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.601 4.409 -6.680 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.281 1.555 -5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 11 13.691 1.980 -6.364 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.628 0.642 -7.070 1.00 0.00 H new ATOM 175 N LYS A 12 12.932 4.406 -8.262 1.00 0.00 N ATOM 176 CA LYS A 12 11.620 4.930 -7.917 1.00 0.00 C ATOM 177 C LYS A 12 10.872 5.317 -9.188 1.00 0.00 C ATOM 178 O LYS A 12 9.648 5.248 -9.245 1.00 0.00 O ATOM 179 CB LYS A 12 11.766 6.137 -6.981 1.00 0.00 C ATOM 180 CG LYS A 12 12.471 5.822 -5.658 1.00 0.00 C ATOM 181 CD LYS A 12 11.676 4.836 -4.800 1.00 0.00 C ATOM 182 CE LYS A 12 12.231 4.734 -3.379 1.00 0.00 C ATOM 183 NZ LYS A 12 13.590 4.129 -3.332 1.00 0.00 N ATOM 0 H LYS A 12 13.684 5.094 -8.223 1.00 0.00 H new ATOM 0 HA LYS A 12 11.048 4.162 -7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.321 6.919 -7.499 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.776 6.538 -6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.458 5.408 -5.864 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.623 6.746 -5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.633 5.150 -4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.695 3.852 -5.268 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.266 5.729 -2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.551 4.137 -2.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.916 4.085 -2.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.556 3.168 -3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.248 4.711 -3.889 1.00 0.00 H new ATOM 197 N LEU A 13 11.635 5.700 -10.211 1.00 0.00 N ATOM 198 CA LEU A 13 11.073 6.089 -11.503 1.00 0.00 C ATOM 199 C LEU A 13 10.360 4.911 -12.159 1.00 0.00 C ATOM 200 O LEU A 13 9.184 5.008 -12.507 1.00 0.00 O ATOM 201 CB LEU A 13 12.172 6.624 -12.439 1.00 0.00 C ATOM 202 CG LEU A 13 12.697 8.037 -12.121 1.00 0.00 C ATOM 203 CD1 LEU A 13 13.286 8.110 -10.716 1.00 0.00 C ATOM 204 CD2 LEU A 13 13.729 8.470 -13.158 1.00 0.00 C ATOM 0 H LEU A 13 12.653 5.749 -10.168 1.00 0.00 H new ATOM 0 HA LEU A 13 10.348 6.883 -11.326 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.013 5.931 -12.414 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.787 6.621 -13.459 1.00 0.00 H new ATOM 0 HG LEU A 13 11.851 8.723 -12.162 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.647 9.121 -10.525 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.518 7.855 -9.986 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.115 7.407 -10.632 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.089 9.470 -12.917 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.566 7.772 -13.152 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.270 8.477 -14.147 1.00 0.00 H new ATOM 216 N ASN A 14 11.076 3.793 -12.306 1.00 0.00 N ATOM 217 CA ASN A 14 10.517 2.595 -12.939 1.00 0.00 C ATOM 218 C ASN A 14 9.277 2.129 -12.188 1.00 0.00 C ATOM 219 O ASN A 14 8.230 1.852 -12.787 1.00 0.00 O ATOM 220 CB ASN A 14 11.562 1.469 -12.977 1.00 0.00 C ATOM 221 CG ASN A 14 11.037 0.208 -13.646 1.00 0.00 C ATOM 222 OD1 ASN A 14 10.501 -0.688 -12.988 1.00 0.00 O ATOM 223 ND2 ASN A 14 11.181 0.133 -14.962 1.00 0.00 N ATOM 0 H ASN A 14 12.042 3.692 -11.996 1.00 0.00 H new ATOM 0 HA ASN A 14 10.236 2.847 -13.962 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.447 1.817 -13.510 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.874 1.233 -11.960 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.843 -0.687 -15.466 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.630 0.895 -15.470 1.00 0.00 H new ATOM 230 N TYR A 15 9.403 2.059 -10.867 1.00 0.00 N ATOM 231 CA TYR A 15 8.291 1.684 -10.009 1.00 0.00 C ATOM 232 C TYR A 15 7.121 2.639 -10.216 1.00 0.00 C ATOM 233 O TYR A 15 5.974 2.211 -10.285 1.00 0.00 O ATOM 234 CB TYR A 15 8.722 1.682 -8.537 1.00 0.00 C ATOM 235 CG TYR A 15 7.600 1.324 -7.575 1.00 0.00 C ATOM 236 CD1 TYR A 15 7.238 -0.003 -7.357 1.00 0.00 C ATOM 237 CD2 TYR A 15 6.899 2.315 -6.892 1.00 0.00 C ATOM 238 CE1 TYR A 15 6.212 -0.328 -6.490 1.00 0.00 C ATOM 239 CE2 TYR A 15 5.875 1.995 -6.022 1.00 0.00 C ATOM 240 CZ TYR A 15 5.535 0.673 -5.826 1.00 0.00 C ATOM 241 OH TYR A 15 4.512 0.355 -4.964 1.00 0.00 O ATOM 0 H TYR A 15 10.270 2.259 -10.368 1.00 0.00 H new ATOM 0 HA TYR A 15 7.973 0.676 -10.276 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.540 0.974 -8.408 1.00 0.00 H new ATOM 0 HB3 TYR A 15 9.110 2.668 -8.279 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.767 -0.790 -7.873 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.161 3.352 -7.045 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.942 -1.362 -6.333 1.00 0.00 H new ATOM 0 HE2 TYR A 15 5.344 2.776 -5.498 1.00 0.00 H new ATOM 0 HH TYR A 15 4.680 -0.525 -4.567 1.00 0.00 H new ATOM 251 N LEU A 16 7.426 3.931 -10.329 1.00 0.00 N ATOM 252 CA LEU A 16 6.401 4.959 -10.504 1.00 0.00 C ATOM 253 C LEU A 16 5.680 4.782 -11.839 1.00 0.00 C ATOM 254 O LEU A 16 4.455 4.893 -11.909 1.00 0.00 O ATOM 255 CB LEU A 16 7.022 6.362 -10.408 1.00 0.00 C ATOM 256 CG LEU A 16 6.024 7.532 -10.467 1.00 0.00 C ATOM 257 CD1 LEU A 16 4.983 7.415 -9.356 1.00 0.00 C ATOM 258 CD2 LEU A 16 6.756 8.870 -10.379 1.00 0.00 C ATOM 0 H LEU A 16 8.380 4.292 -10.302 1.00 0.00 H new ATOM 0 HA LEU A 16 5.669 4.851 -9.704 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.581 6.430 -9.475 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.741 6.479 -11.219 1.00 0.00 H new ATOM 0 HG LEU A 16 5.505 7.487 -11.425 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.289 8.253 -9.418 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.434 6.480 -9.469 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.482 7.428 -8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.033 9.684 -10.422 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.306 8.923 -9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.453 8.959 -11.212 1.00 0.00 H new ATOM 270 N ASP A 17 6.445 4.493 -12.893 1.00 0.00 N ATOM 271 CA ASP A 17 5.874 4.258 -14.220 1.00 0.00 C ATOM 272 C ASP A 17 4.860 3.120 -14.154 1.00 0.00 C ATOM 273 O ASP A 17 3.683 3.290 -14.488 1.00 0.00 O ATOM 274 CB ASP A 17 6.967 3.907 -15.248 1.00 0.00 C ATOM 275 CG ASP A 17 7.934 5.052 -15.526 1.00 0.00 C ATOM 276 OD1 ASP A 17 7.466 6.171 -15.831 1.00 0.00 O ATOM 277 OD2 ASP A 17 9.167 4.830 -15.474 1.00 0.00 O ATOM 0 H ASP A 17 7.461 4.416 -12.853 1.00 0.00 H new ATOM 0 HA ASP A 17 5.383 5.177 -14.540 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.530 3.046 -14.887 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.492 3.608 -16.183 1.00 0.00 H new ATOM 282 N GLN A 18 5.333 1.966 -13.691 1.00 0.00 N ATOM 283 CA GLN A 18 4.503 0.767 -13.577 1.00 0.00 C ATOM 284 C GLN A 18 3.299 1.016 -12.668 1.00 0.00 C ATOM 285 O GLN A 18 2.144 0.823 -13.070 1.00 0.00 O ATOM 286 CB GLN A 18 5.335 -0.390 -13.007 1.00 0.00 C ATOM 287 CG GLN A 18 4.548 -1.683 -12.805 1.00 0.00 C ATOM 288 CD GLN A 18 5.289 -2.706 -11.958 1.00 0.00 C ATOM 289 OE1 GLN A 18 5.142 -3.912 -12.152 1.00 0.00 O ATOM 290 NE2 GLN A 18 6.073 -2.236 -10.996 1.00 0.00 N ATOM 0 H GLN A 18 6.297 1.834 -13.385 1.00 0.00 H new ATOM 0 HA GLN A 18 4.142 0.510 -14.573 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.171 -0.587 -13.678 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.759 -0.082 -12.051 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.594 -1.451 -12.332 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.323 -2.120 -13.778 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.171 -1.229 -10.864 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.578 -2.881 -10.388 1.00 0.00 H new ATOM 299 N ILE A 19 3.589 1.461 -11.448 1.00 0.00 N ATOM 300 CA ILE A 19 2.581 1.595 -10.402 1.00 0.00 C ATOM 301 C ILE A 19 1.464 2.538 -10.853 1.00 0.00 C ATOM 302 O ILE A 19 0.283 2.252 -10.656 1.00 0.00 O ATOM 303 CB ILE A 19 3.221 2.093 -9.065 1.00 0.00 C ATOM 304 CG1 ILE A 19 2.384 1.657 -7.854 1.00 0.00 C ATOM 305 CG2 ILE A 19 3.419 3.607 -9.057 1.00 0.00 C ATOM 306 CD1 ILE A 19 2.454 0.171 -7.580 1.00 0.00 C ATOM 0 H ILE A 19 4.527 1.738 -11.158 1.00 0.00 H new ATOM 0 HA ILE A 19 2.149 0.611 -10.219 1.00 0.00 H new ATOM 0 HB ILE A 19 4.205 1.629 -8.992 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.725 2.198 -6.972 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.344 1.940 -8.019 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.866 3.911 -8.110 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.078 3.892 -9.877 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.455 4.101 -9.178 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.840 -0.068 -6.712 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.085 -0.377 -8.447 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.487 -0.114 -7.383 1.00 0.00 H new ATOM 318 N ALA A 20 1.844 3.638 -11.498 1.00 0.00 N ATOM 319 CA ALA A 20 0.882 4.630 -11.957 1.00 0.00 C ATOM 320 C ALA A 20 0.049 4.086 -13.108 1.00 0.00 C ATOM 321 O ALA A 20 -1.180 4.151 -13.079 1.00 0.00 O ATOM 322 CB ALA A 20 1.593 5.916 -12.373 1.00 0.00 C ATOM 0 H ALA A 20 2.815 3.863 -11.714 1.00 0.00 H new ATOM 0 HA ALA A 20 0.211 4.858 -11.129 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.857 6.645 -12.713 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.139 6.322 -11.521 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.291 5.701 -13.182 1.00 0.00 H new ATOM 328 N LYS A 21 0.725 3.524 -14.106 1.00 0.00 N ATOM 329 CA LYS A 21 0.059 3.056 -15.316 1.00 0.00 C ATOM 330 C LYS A 21 -0.974 1.974 -14.997 1.00 0.00 C ATOM 331 O LYS A 21 -2.030 1.917 -15.631 1.00 0.00 O ATOM 332 CB LYS A 21 1.094 2.534 -16.330 1.00 0.00 C ATOM 333 CG LYS A 21 0.529 2.215 -17.722 1.00 0.00 C ATOM 334 CD LYS A 21 0.491 3.436 -18.658 1.00 0.00 C ATOM 335 CE LYS A 21 -0.453 4.533 -18.172 1.00 0.00 C ATOM 336 NZ LYS A 21 -0.589 5.637 -19.160 1.00 0.00 N ATOM 0 H LYS A 21 1.735 3.382 -14.100 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.469 3.901 -15.758 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.884 3.277 -16.436 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.555 1.633 -15.926 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.133 1.433 -18.181 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.480 1.817 -17.614 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.497 3.846 -18.752 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.183 3.114 -19.653 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.435 4.103 -17.973 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.084 4.936 -17.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.212 6.374 -18.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.348 6.044 -19.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.998 5.266 -20.041 1.00 0.00 H new ATOM 350 N PHE A 22 -0.672 1.126 -14.011 1.00 0.00 N ATOM 351 CA PHE A 22 -1.605 0.075 -13.596 1.00 0.00 C ATOM 352 C PHE A 22 -2.962 0.667 -13.220 1.00 0.00 C ATOM 353 O PHE A 22 -3.968 0.436 -13.894 1.00 0.00 O ATOM 354 CB PHE A 22 -1.044 -0.721 -12.403 1.00 0.00 C ATOM 355 CG PHE A 22 -2.039 -1.701 -11.819 1.00 0.00 C ATOM 356 CD1 PHE A 22 -2.423 -2.825 -12.539 1.00 0.00 C ATOM 357 CD2 PHE A 22 -2.604 -1.495 -10.559 1.00 0.00 C ATOM 358 CE1 PHE A 22 -3.342 -3.717 -12.024 1.00 0.00 C ATOM 359 CE2 PHE A 22 -3.522 -2.389 -10.043 1.00 0.00 C ATOM 360 CZ PHE A 22 -3.892 -3.500 -10.776 1.00 0.00 C ATOM 0 H PHE A 22 0.204 1.145 -13.489 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.734 -0.600 -14.442 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.154 -1.264 -12.723 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.730 -0.025 -11.625 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.997 -3.004 -13.515 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.320 -0.627 -9.982 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.631 -4.585 -12.598 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.951 -2.219 -9.066 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.611 -4.198 -10.373 1.00 0.00 H new ATOM 370 N TRP A 23 -2.964 1.450 -12.152 1.00 0.00 N ATOM 371 CA TRP A 23 -4.191 1.983 -11.576 1.00 0.00 C ATOM 372 C TRP A 23 -4.798 3.060 -12.471 1.00 0.00 C ATOM 373 O TRP A 23 -6.013 3.274 -12.463 1.00 0.00 O ATOM 374 CB TRP A 23 -3.889 2.526 -10.175 1.00 0.00 C ATOM 375 CG TRP A 23 -5.047 3.169 -9.470 1.00 0.00 C ATOM 376 CD1 TRP A 23 -5.037 4.380 -8.854 1.00 0.00 C ATOM 377 CD2 TRP A 23 -6.370 2.641 -9.295 1.00 0.00 C ATOM 378 NE1 TRP A 23 -6.267 4.652 -8.319 1.00 0.00 N ATOM 379 CE2 TRP A 23 -7.104 3.597 -8.570 1.00 0.00 C ATOM 380 CE3 TRP A 23 -7.005 1.462 -9.686 1.00 0.00 C ATOM 381 CZ2 TRP A 23 -8.440 3.406 -8.224 1.00 0.00 C ATOM 382 CZ3 TRP A 23 -8.329 1.273 -9.343 1.00 0.00 C ATOM 383 CH2 TRP A 23 -9.036 2.240 -8.619 1.00 0.00 C ATOM 0 H TRP A 23 -2.117 1.734 -11.660 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.929 1.185 -11.498 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -3.520 1.707 -9.558 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -3.083 3.255 -10.253 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.180 5.035 -8.795 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.519 5.502 -7.815 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -6.470 0.710 -10.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.985 4.152 -7.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -8.828 0.362 -9.639 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -10.071 2.062 -8.368 1.00 0.00 H new ATOM 394 N GLU A 24 -3.958 3.718 -13.264 1.00 0.00 N ATOM 395 CA GLU A 24 -4.433 4.755 -14.167 1.00 0.00 C ATOM 396 C GLU A 24 -5.324 4.135 -15.246 1.00 0.00 C ATOM 397 O GLU A 24 -6.468 4.549 -15.445 1.00 0.00 O ATOM 398 CB GLU A 24 -3.249 5.492 -14.811 1.00 0.00 C ATOM 399 CG GLU A 24 -3.654 6.675 -15.684 1.00 0.00 C ATOM 400 CD GLU A 24 -2.463 7.335 -16.362 1.00 0.00 C ATOM 401 OE1 GLU A 24 -1.671 8.010 -15.671 1.00 0.00 O ATOM 402 OE2 GLU A 24 -2.308 7.183 -17.592 1.00 0.00 O ATOM 0 H GLU A 24 -2.952 3.552 -13.298 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.016 5.478 -13.597 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.583 5.846 -14.024 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.680 4.786 -15.416 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.359 6.337 -16.444 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.174 7.412 -15.072 1.00 0.00 H new ATOM 409 N ILE A 25 -4.801 3.108 -15.911 1.00 0.00 N ATOM 410 CA ILE A 25 -5.515 2.452 -17.005 1.00 0.00 C ATOM 411 C ILE A 25 -6.602 1.520 -16.461 1.00 0.00 C ATOM 412 O ILE A 25 -7.489 1.075 -17.200 1.00 0.00 O ATOM 413 CB ILE A 25 -4.534 1.670 -17.920 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.438 2.611 -18.446 1.00 0.00 C ATOM 415 CG2 ILE A 25 -5.265 1.005 -19.086 1.00 0.00 C ATOM 416 CD1 ILE A 25 -3.970 3.823 -19.189 1.00 0.00 C ATOM 0 H ILE A 25 -3.883 2.711 -15.711 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.994 3.226 -17.605 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.074 0.882 -17.323 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.831 2.950 -17.607 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.780 2.050 -19.110 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.548 0.467 -19.706 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.007 0.306 -18.699 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.762 1.767 -19.686 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.136 4.437 -19.528 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.553 3.495 -20.050 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.604 4.408 -18.523 1.00 0.00 H new ATOM 428 N GLN A 26 -6.546 1.252 -15.158 1.00 0.00 N ATOM 429 CA GLN A 26 -7.580 0.466 -14.485 1.00 0.00 C ATOM 430 C GLN A 26 -8.920 1.217 -14.518 1.00 0.00 C ATOM 431 O GLN A 26 -9.972 0.652 -14.220 1.00 0.00 O ATOM 432 CB GLN A 26 -7.160 0.163 -13.037 1.00 0.00 C ATOM 433 CG GLN A 26 -8.097 -0.789 -12.297 1.00 0.00 C ATOM 434 CD GLN A 26 -8.170 -2.170 -12.929 1.00 0.00 C ATOM 435 OE1 GLN A 26 -7.201 -2.658 -13.513 1.00 0.00 O ATOM 436 NE2 GLN A 26 -9.325 -2.810 -12.820 1.00 0.00 N ATOM 0 H GLN A 26 -5.794 1.568 -14.545 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.703 -0.481 -15.010 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.158 -0.265 -13.044 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.103 1.101 -12.484 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.763 -0.887 -11.264 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.097 -0.356 -12.270 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.105 -2.374 -12.329 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.434 -3.739 -13.227 1.00 0.00 H new ATOM 445 N GLY A 27 -8.864 2.496 -14.892 1.00 0.00 N ATOM 446 CA GLY A 27 -10.068 3.303 -15.023 1.00 0.00 C ATOM 447 C GLY A 27 -10.148 4.386 -13.970 1.00 0.00 C ATOM 448 O GLY A 27 -11.237 4.872 -13.644 1.00 0.00 O ATOM 0 H GLY A 27 -7.998 2.990 -15.108 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.092 3.759 -16.013 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.945 2.660 -14.947 1.00 0.00 H new ATOM 452 N SER A 28 -8.993 4.760 -13.429 1.00 0.00 N ATOM 453 CA SER A 28 -8.914 5.767 -12.376 1.00 0.00 C ATOM 454 C SER A 28 -7.593 6.533 -12.462 1.00 0.00 C ATOM 455 O SER A 28 -6.857 6.403 -13.439 1.00 0.00 O ATOM 456 CB SER A 28 -9.067 5.101 -11.003 1.00 0.00 C ATOM 457 OG SER A 28 -10.359 4.533 -10.846 1.00 0.00 O ATOM 0 H SER A 28 -8.090 4.376 -13.706 1.00 0.00 H new ATOM 0 HA SER A 28 -9.727 6.481 -12.510 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.310 4.326 -10.886 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.893 5.837 -10.218 1.00 0.00 H new ATOM 0 HG SER A 28 -10.313 3.784 -10.215 1.00 0.00 H new ATOM 463 N SER A 29 -7.312 7.350 -11.452 1.00 0.00 N ATOM 464 CA SER A 29 -6.061 8.095 -11.374 1.00 0.00 C ATOM 465 C SER A 29 -5.361 7.817 -10.041 1.00 0.00 C ATOM 466 O SER A 29 -6.021 7.605 -9.018 1.00 0.00 O ATOM 467 CB SER A 29 -6.346 9.590 -11.544 1.00 0.00 C ATOM 468 OG SER A 29 -7.465 9.987 -10.766 1.00 0.00 O ATOM 0 H SER A 29 -7.943 7.514 -10.667 1.00 0.00 H new ATOM 0 HA SER A 29 -5.395 7.773 -12.175 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.470 10.167 -11.248 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.533 9.811 -12.595 1.00 0.00 H new ATOM 0 HG SER A 29 -7.626 10.946 -10.890 1.00 0.00 H new ATOM 474 N LEU A 30 -4.029 7.815 -10.055 1.00 0.00 N ATOM 475 CA LEU A 30 -3.242 7.479 -8.867 1.00 0.00 C ATOM 476 C LEU A 30 -2.698 8.733 -8.184 1.00 0.00 C ATOM 477 O LEU A 30 -1.784 9.383 -8.699 1.00 0.00 O ATOM 478 CB LEU A 30 -2.077 6.545 -9.241 1.00 0.00 C ATOM 479 CG LEU A 30 -1.199 6.084 -8.059 1.00 0.00 C ATOM 480 CD1 LEU A 30 -2.009 5.249 -7.072 1.00 0.00 C ATOM 481 CD2 LEU A 30 0.015 5.303 -8.555 1.00 0.00 C ATOM 0 H LEU A 30 -3.470 8.043 -10.877 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.904 6.969 -8.168 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.484 5.663 -9.736 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.443 7.054 -9.967 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.843 6.973 -7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.368 4.936 -6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.835 5.845 -6.683 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.404 4.369 -7.579 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.618 4.989 -7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.318 4.424 -9.107 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.613 5.937 -9.209 1.00 0.00 H new ATOM 493 N LYS A 31 -3.276 9.080 -7.039 1.00 0.00 N ATOM 494 CA LYS A 31 -2.740 10.139 -6.186 1.00 0.00 C ATOM 495 C LYS A 31 -2.489 9.583 -4.787 1.00 0.00 C ATOM 496 O LYS A 31 -3.400 9.544 -3.953 1.00 0.00 O ATOM 497 CB LYS A 31 -3.698 11.339 -6.101 1.00 0.00 C ATOM 498 CG LYS A 31 -4.082 11.938 -7.450 1.00 0.00 C ATOM 499 CD LYS A 31 -4.868 13.239 -7.289 1.00 0.00 C ATOM 500 CE LYS A 31 -6.084 13.071 -6.381 1.00 0.00 C ATOM 501 NZ LYS A 31 -7.053 12.072 -6.910 1.00 0.00 N ATOM 0 H LYS A 31 -4.122 8.640 -6.677 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.806 10.488 -6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.606 11.027 -5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.235 12.115 -5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.181 12.127 -8.034 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.680 11.219 -8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.214 14.008 -6.878 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.194 13.588 -8.269 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.754 12.763 -5.389 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.584 14.033 -6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.892 12.043 -6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.339 12.342 -7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.607 11.133 -6.932 1.00 0.00 H new ATOM 515 N ILE A 32 -1.267 9.119 -4.549 1.00 0.00 N ATOM 516 CA ILE A 32 -0.902 8.540 -3.259 1.00 0.00 C ATOM 517 C ILE A 32 -0.682 9.638 -2.210 1.00 0.00 C ATOM 518 O ILE A 32 0.141 10.535 -2.405 1.00 0.00 O ATOM 519 CB ILE A 32 0.352 7.636 -3.375 1.00 0.00 C ATOM 520 CG1 ILE A 32 1.495 8.365 -4.108 1.00 0.00 C ATOM 521 CG2 ILE A 32 -0.004 6.333 -4.087 1.00 0.00 C ATOM 522 CD1 ILE A 32 2.695 7.485 -4.390 1.00 0.00 C ATOM 0 H ILE A 32 -0.511 9.132 -5.233 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.733 7.914 -2.934 1.00 0.00 H new ATOM 0 HB ILE A 32 0.700 7.401 -2.369 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.116 8.761 -5.050 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.814 9.218 -3.509 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.884 5.706 -4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.772 5.807 -3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.378 6.555 -5.086 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.459 8.066 -4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.100 7.109 -3.450 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.392 6.646 -5.016 1.00 0.00 H new ATOM 534 N PRO A 33 -1.441 9.591 -1.094 1.00 0.00 N ATOM 535 CA PRO A 33 -1.398 10.627 -0.051 1.00 0.00 C ATOM 536 C PRO A 33 -0.111 10.604 0.779 1.00 0.00 C ATOM 537 O PRO A 33 0.813 9.814 0.536 1.00 0.00 O ATOM 538 CB PRO A 33 -2.621 10.306 0.841 1.00 0.00 C ATOM 539 CG PRO A 33 -3.412 9.287 0.083 1.00 0.00 C ATOM 540 CD PRO A 33 -2.418 8.542 -0.759 1.00 0.00 C ATOM 0 HA PRO A 33 -1.420 11.624 -0.491 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.309 9.918 1.811 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.214 11.201 1.031 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.933 8.612 0.762 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.171 9.763 -0.538 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.959 7.718 -0.213 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.879 8.116 -1.650 1.00 0.00 H new ATOM 548 N ASN A 34 -0.076 11.480 1.776 1.00 0.00 N ATOM 549 CA ASN A 34 1.064 11.607 2.669 1.00 0.00 C ATOM 550 C ASN A 34 0.586 11.779 4.095 1.00 0.00 C ATOM 551 O ASN A 34 -0.563 12.158 4.338 1.00 0.00 O ATOM 552 CB ASN A 34 1.945 12.799 2.263 1.00 0.00 C ATOM 553 CG ASN A 34 1.240 14.142 2.393 1.00 0.00 C ATOM 554 OD1 ASN A 34 0.020 14.239 2.252 1.00 0.00 O ATOM 555 ND2 ASN A 34 2.009 15.191 2.649 1.00 0.00 N ATOM 0 H ASN A 34 -0.840 12.122 1.986 1.00 0.00 H new ATOM 0 HA ASN A 34 1.661 10.698 2.597 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.842 12.806 2.882 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.271 12.666 1.231 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.594 16.119 2.736 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.016 15.070 2.759 1.00 0.00 H new ATOM 562 N VAL A 35 1.466 11.479 5.025 1.00 0.00 N ATOM 563 CA VAL A 35 1.184 11.641 6.438 1.00 0.00 C ATOM 564 C VAL A 35 2.463 12.061 7.150 1.00 0.00 C ATOM 565 O VAL A 35 3.554 11.640 6.755 1.00 0.00 O ATOM 566 CB VAL A 35 0.613 10.342 7.072 1.00 0.00 C ATOM 567 CG1 VAL A 35 1.591 9.181 6.921 1.00 0.00 C ATOM 568 CG2 VAL A 35 0.246 10.563 8.540 1.00 0.00 C ATOM 0 H VAL A 35 2.398 11.116 4.825 1.00 0.00 H new ATOM 0 HA VAL A 35 0.420 12.410 6.551 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.299 10.082 6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.165 8.285 7.374 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.779 8.999 5.863 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.529 9.428 7.419 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.151 9.638 8.959 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.135 10.861 9.096 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.508 11.347 8.613 1.00 0.00 H new ATOM 578 N GLU A 36 2.337 12.923 8.161 1.00 0.00 N ATOM 579 CA GLU A 36 3.505 13.435 8.877 1.00 0.00 C ATOM 580 C GLU A 36 4.408 14.204 7.924 1.00 0.00 C ATOM 581 O GLU A 36 5.610 14.295 8.140 1.00 0.00 O ATOM 582 CB GLU A 36 4.264 12.303 9.581 1.00 0.00 C ATOM 583 CG GLU A 36 3.489 11.696 10.746 1.00 0.00 C ATOM 584 CD GLU A 36 3.046 12.745 11.761 1.00 0.00 C ATOM 585 OE1 GLU A 36 3.908 13.259 12.505 1.00 0.00 O ATOM 586 OE2 GLU A 36 1.837 13.072 11.806 1.00 0.00 O ATOM 0 H GLU A 36 1.443 13.279 8.500 1.00 0.00 H new ATOM 0 HA GLU A 36 3.164 14.122 9.651 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.491 11.521 8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.217 12.685 9.947 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.613 11.173 10.362 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.111 10.953 11.244 1.00 0.00 H new ATOM 593 N ARG A 37 3.790 14.695 6.843 1.00 0.00 N ATOM 594 CA ARG A 37 4.427 15.530 5.813 1.00 0.00 C ATOM 595 C ARG A 37 5.334 14.705 4.905 1.00 0.00 C ATOM 596 O ARG A 37 6.061 15.254 4.076 1.00 0.00 O ATOM 597 CB ARG A 37 5.189 16.735 6.423 1.00 0.00 C ATOM 598 CG ARG A 37 6.660 16.479 6.790 1.00 0.00 C ATOM 599 CD ARG A 37 6.958 16.857 8.238 1.00 0.00 C ATOM 600 NE ARG A 37 6.703 18.274 8.500 1.00 0.00 N ATOM 601 CZ ARG A 37 6.430 18.773 9.704 1.00 0.00 C ATOM 602 NH1 ARG A 37 6.313 17.966 10.755 1.00 0.00 N ATOM 603 NH2 ARG A 37 6.254 20.081 9.853 1.00 0.00 N ATOM 0 H ARG A 37 2.803 14.518 6.654 1.00 0.00 H new ATOM 0 HA ARG A 37 3.624 15.938 5.200 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.149 17.562 5.714 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.661 17.058 7.320 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.896 15.426 6.634 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.305 17.052 6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.346 16.250 8.904 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.999 16.628 8.465 1.00 0.00 H new ATOM 0 HE ARG A 37 6.736 18.920 7.711 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.433 16.959 10.641 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.104 18.354 11.675 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.328 20.701 9.046 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.045 20.466 10.774 1.00 0.00 H new ATOM 617 N ARG A 38 5.258 13.385 5.033 1.00 0.00 N ATOM 618 CA ARG A 38 6.061 12.487 4.212 1.00 0.00 C ATOM 619 C ARG A 38 5.149 11.645 3.322 1.00 0.00 C ATOM 620 O ARG A 38 4.109 11.157 3.777 1.00 0.00 O ATOM 621 CB ARG A 38 6.913 11.579 5.105 1.00 0.00 C ATOM 622 CG ARG A 38 8.067 10.905 4.373 1.00 0.00 C ATOM 623 CD ARG A 38 8.681 9.788 5.205 1.00 0.00 C ATOM 624 NE ARG A 38 7.746 8.672 5.366 1.00 0.00 N ATOM 625 CZ ARG A 38 7.963 7.449 4.889 1.00 0.00 C ATOM 626 NH1 ARG A 38 9.120 7.154 4.313 1.00 0.00 N ATOM 627 NH2 ARG A 38 7.026 6.516 4.986 1.00 0.00 N ATOM 0 H ARG A 38 4.647 12.912 5.699 1.00 0.00 H new ATOM 0 HA ARG A 38 6.724 13.079 3.581 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.313 12.168 5.930 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.274 10.811 5.542 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.711 10.500 3.426 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.831 11.646 4.136 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.594 9.434 4.726 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.963 10.174 6.185 1.00 0.00 H new ATOM 0 HE ARG A 38 6.878 8.842 5.873 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.847 7.865 4.235 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.284 6.216 3.948 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.133 6.734 5.428 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.198 5.580 4.618 1.00 0.00 H new ATOM 641 N ILE A 39 5.536 11.485 2.057 1.00 0.00 N ATOM 642 CA ILE A 39 4.744 10.722 1.092 1.00 0.00 C ATOM 643 C ILE A 39 4.684 9.249 1.495 1.00 0.00 C ATOM 644 O ILE A 39 5.692 8.661 1.905 1.00 0.00 O ATOM 645 CB ILE A 39 5.310 10.886 -0.351 1.00 0.00 C ATOM 646 CG1 ILE A 39 4.446 10.148 -1.403 1.00 0.00 C ATOM 647 CG2 ILE A 39 6.768 10.426 -0.423 1.00 0.00 C ATOM 648 CD1 ILE A 39 4.884 8.724 -1.699 1.00 0.00 C ATOM 0 H ILE A 39 6.397 11.876 1.675 1.00 0.00 H new ATOM 0 HA ILE A 39 3.728 11.118 1.095 1.00 0.00 H new ATOM 0 HB ILE A 39 5.272 11.949 -0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.413 10.131 -1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.462 10.719 -2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.139 10.551 -1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.372 11.024 0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.833 9.375 -0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.221 8.287 -2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.906 8.729 -2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.840 8.132 -0.785 1.00 0.00 H new ATOM 660 N LEU A 40 3.493 8.667 1.389 1.00 0.00 N ATOM 661 CA LEU A 40 3.266 7.287 1.810 1.00 0.00 C ATOM 662 C LEU A 40 3.953 6.310 0.854 1.00 0.00 C ATOM 663 O LEU A 40 3.649 6.281 -0.341 1.00 0.00 O ATOM 664 CB LEU A 40 1.759 7.001 1.875 1.00 0.00 C ATOM 665 CG LEU A 40 1.369 5.611 2.406 1.00 0.00 C ATOM 666 CD1 LEU A 40 1.863 5.421 3.841 1.00 0.00 C ATOM 667 CD2 LEU A 40 -0.144 5.409 2.318 1.00 0.00 C ATOM 0 H LEU A 40 2.666 9.132 1.013 1.00 0.00 H new ATOM 0 HA LEU A 40 3.696 7.150 2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.291 7.756 2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.342 7.119 0.875 1.00 0.00 H new ATOM 0 HG LEU A 40 1.850 4.857 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.576 4.431 4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.949 5.516 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.417 6.180 4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.402 4.420 2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.648 6.170 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.462 5.493 1.279 1.00 0.00 H new ATOM 679 N ASP A 41 4.870 5.501 1.385 1.00 0.00 N ATOM 680 CA ASP A 41 5.618 4.550 0.565 1.00 0.00 C ATOM 681 C ASP A 41 4.717 3.416 0.109 1.00 0.00 C ATOM 682 O ASP A 41 4.585 2.411 0.805 1.00 0.00 O ATOM 683 CB ASP A 41 6.804 3.931 1.329 1.00 0.00 C ATOM 684 CG ASP A 41 7.863 4.929 1.754 1.00 0.00 C ATOM 685 OD1 ASP A 41 8.495 5.548 0.874 1.00 0.00 O ATOM 686 OD2 ASP A 41 8.096 5.065 2.971 1.00 0.00 O ATOM 0 H ASP A 41 5.112 5.486 2.376 1.00 0.00 H new ATOM 0 HA ASP A 41 5.996 5.112 -0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.424 3.423 2.215 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.269 3.171 0.701 1.00 0.00 H new ATOM 691 N LEU A 42 4.082 3.582 -1.045 1.00 0.00 N ATOM 692 CA LEU A 42 3.336 2.487 -1.660 1.00 0.00 C ATOM 693 C LEU A 42 4.308 1.324 -1.897 1.00 0.00 C ATOM 694 O LEU A 42 3.964 0.160 -1.741 1.00 0.00 O ATOM 695 CB LEU A 42 2.694 2.954 -2.987 1.00 0.00 C ATOM 696 CG LEU A 42 1.385 2.241 -3.407 1.00 0.00 C ATOM 697 CD1 LEU A 42 0.817 2.863 -4.680 1.00 0.00 C ATOM 698 CD2 LEU A 42 1.595 0.740 -3.604 1.00 0.00 C ATOM 0 H LEU A 42 4.067 4.456 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 42 2.528 2.162 -1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.492 4.022 -2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.425 2.824 -3.785 1.00 0.00 H new ATOM 0 HG LEU A 42 0.669 2.375 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.102 2.348 -4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.603 3.918 -4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.544 2.769 -5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.653 0.276 -3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.339 0.576 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.942 0.296 -2.671 1.00 0.00 H new ATOM 710 N TYR A 43 5.545 1.687 -2.229 1.00 0.00 N ATOM 711 CA TYR A 43 6.625 0.731 -2.468 1.00 0.00 C ATOM 712 C TYR A 43 6.821 -0.179 -1.247 1.00 0.00 C ATOM 713 O TYR A 43 6.601 -1.403 -1.304 1.00 0.00 O ATOM 714 CB TYR A 43 7.918 1.517 -2.757 1.00 0.00 C ATOM 715 CG TYR A 43 8.919 0.820 -3.660 1.00 0.00 C ATOM 716 CD1 TYR A 43 9.133 -0.553 -3.596 1.00 0.00 C ATOM 717 CD2 TYR A 43 9.653 1.553 -4.587 1.00 0.00 C ATOM 718 CE1 TYR A 43 10.048 -1.171 -4.427 1.00 0.00 C ATOM 719 CE2 TYR A 43 10.568 0.943 -5.419 1.00 0.00 C ATOM 720 CZ TYR A 43 10.763 -0.419 -5.337 1.00 0.00 C ATOM 721 OH TYR A 43 11.680 -1.032 -6.163 1.00 0.00 O ATOM 0 H TYR A 43 5.829 2.660 -2.341 1.00 0.00 H new ATOM 0 HA TYR A 43 6.373 0.100 -3.320 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.649 2.471 -3.211 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.406 1.741 -1.808 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.575 -1.145 -2.886 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.503 2.620 -4.656 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.203 -2.238 -4.365 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.129 1.530 -6.131 1.00 0.00 H new ATOM 0 HH TYR A 43 12.096 -0.362 -6.744 1.00 0.00 H new ATOM 731 N SER A 44 7.225 0.442 -0.139 1.00 0.00 N ATOM 732 CA SER A 44 7.483 -0.275 1.100 1.00 0.00 C ATOM 733 C SER A 44 6.211 -0.974 1.571 1.00 0.00 C ATOM 734 O SER A 44 6.244 -2.136 1.966 1.00 0.00 O ATOM 735 CB SER A 44 8.003 0.692 2.175 1.00 0.00 C ATOM 736 OG SER A 44 8.405 0.002 3.345 1.00 0.00 O ATOM 0 H SER A 44 7.380 1.448 -0.079 1.00 0.00 H new ATOM 0 HA SER A 44 8.248 -1.031 0.922 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.845 1.259 1.779 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.224 1.412 2.426 1.00 0.00 H new ATOM 0 HG SER A 44 8.732 0.645 4.008 1.00 0.00 H new ATOM 742 N LEU A 45 5.089 -0.267 1.479 1.00 0.00 N ATOM 743 CA LEU A 45 3.796 -0.804 1.885 1.00 0.00 C ATOM 744 C LEU A 45 3.532 -2.130 1.173 1.00 0.00 C ATOM 745 O LEU A 45 3.207 -3.128 1.813 1.00 0.00 O ATOM 746 CB LEU A 45 2.689 0.233 1.585 1.00 0.00 C ATOM 747 CG LEU A 45 1.253 -0.116 2.036 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.584 -1.089 1.069 1.00 0.00 C ATOM 749 CD2 LEU A 45 1.252 -0.674 3.459 1.00 0.00 C ATOM 0 H LEU A 45 5.051 0.688 1.123 1.00 0.00 H new ATOM 0 HA LEU A 45 3.798 -1.000 2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.972 1.174 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.672 0.407 0.509 1.00 0.00 H new ATOM 0 HG LEU A 45 0.671 0.806 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.424 -1.312 1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.534 -0.640 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.164 -2.011 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.231 -0.913 3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.861 -1.577 3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.664 0.069 4.142 1.00 0.00 H new ATOM 761 N SER A 46 3.708 -2.138 -0.145 1.00 0.00 N ATOM 762 CA SER A 46 3.467 -3.330 -0.947 1.00 0.00 C ATOM 763 C SER A 46 4.363 -4.479 -0.495 1.00 0.00 C ATOM 764 O SER A 46 3.879 -5.573 -0.180 1.00 0.00 O ATOM 765 CB SER A 46 3.708 -3.029 -2.430 1.00 0.00 C ATOM 766 OG SER A 46 2.821 -2.030 -2.900 1.00 0.00 O ATOM 0 H SER A 46 4.018 -1.328 -0.681 1.00 0.00 H new ATOM 0 HA SER A 46 2.428 -3.629 -0.809 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.738 -2.702 -2.575 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.577 -3.940 -3.015 1.00 0.00 H new ATOM 0 HG SER A 46 3.180 -1.145 -2.681 1.00 0.00 H new ATOM 772 N LYS A 47 5.672 -4.225 -0.432 1.00 0.00 N ATOM 773 CA LYS A 47 6.621 -5.282 -0.086 1.00 0.00 C ATOM 774 C LYS A 47 6.414 -5.747 1.359 1.00 0.00 C ATOM 775 O LYS A 47 6.681 -6.906 1.690 1.00 0.00 O ATOM 776 CB LYS A 47 8.071 -4.827 -0.317 1.00 0.00 C ATOM 777 CG LYS A 47 8.535 -3.698 0.596 1.00 0.00 C ATOM 778 CD LYS A 47 9.964 -3.254 0.277 1.00 0.00 C ATOM 779 CE LYS A 47 10.952 -4.416 0.337 1.00 0.00 C ATOM 780 NZ LYS A 47 12.351 -3.974 0.086 1.00 0.00 N ATOM 0 H LYS A 47 6.092 -3.313 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 47 6.433 -6.130 -0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.733 -5.682 -0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.176 -4.505 -1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.860 -2.848 0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.480 -4.025 1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.991 -2.806 -0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.270 -2.482 0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.893 -4.892 1.316 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.672 -5.168 -0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.988 -4.794 0.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.415 -3.543 -0.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.629 -3.275 0.805 1.00 0.00 H new ATOM 794 N ILE A 48 5.915 -4.850 2.211 1.00 0.00 N ATOM 795 CA ILE A 48 5.625 -5.192 3.600 1.00 0.00 C ATOM 796 C ILE A 48 4.374 -6.067 3.690 1.00 0.00 C ATOM 797 O ILE A 48 4.375 -7.072 4.388 1.00 0.00 O ATOM 798 CB ILE A 48 5.456 -3.930 4.493 1.00 0.00 C ATOM 799 CG1 ILE A 48 6.805 -3.211 4.663 1.00 0.00 C ATOM 800 CG2 ILE A 48 4.871 -4.297 5.861 1.00 0.00 C ATOM 801 CD1 ILE A 48 6.724 -1.934 5.475 1.00 0.00 C ATOM 0 H ILE A 48 5.704 -3.884 1.962 1.00 0.00 H new ATOM 0 HA ILE A 48 6.483 -5.750 3.975 1.00 0.00 H new ATOM 0 HB ILE A 48 4.758 -3.256 3.997 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.509 -3.891 5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.208 -2.978 3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.764 -3.396 6.464 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.894 -4.762 5.726 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.538 -4.995 6.367 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.715 -1.487 5.549 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.046 -1.234 4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.352 -2.161 6.474 1.00 0.00 H new ATOM 813 N VAL A 49 3.317 -5.693 2.970 1.00 0.00 N ATOM 814 CA VAL A 49 2.082 -6.480 2.963 1.00 0.00 C ATOM 815 C VAL A 49 2.365 -7.904 2.484 1.00 0.00 C ATOM 816 O VAL A 49 1.879 -8.873 3.070 1.00 0.00 O ATOM 817 CB VAL A 49 0.988 -5.834 2.068 1.00 0.00 C ATOM 818 CG1 VAL A 49 -0.229 -6.752 1.932 1.00 0.00 C ATOM 819 CG2 VAL A 49 0.571 -4.473 2.623 1.00 0.00 C ATOM 0 H VAL A 49 3.289 -4.856 2.387 1.00 0.00 H new ATOM 0 HA VAL A 49 1.707 -6.505 3.986 1.00 0.00 H new ATOM 0 HB VAL A 49 1.413 -5.688 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.977 -6.273 1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.076 -7.696 1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.654 -6.941 2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.196 -4.038 1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.174 -4.597 3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.437 -3.812 2.653 1.00 0.00 H new ATOM 829 N VAL A 50 3.168 -8.024 1.427 1.00 0.00 N ATOM 830 CA VAL A 50 3.592 -9.332 0.931 1.00 0.00 C ATOM 831 C VAL A 50 4.441 -10.049 1.986 1.00 0.00 C ATOM 832 O VAL A 50 4.311 -11.258 2.190 1.00 0.00 O ATOM 833 CB VAL A 50 4.395 -9.209 -0.393 1.00 0.00 C ATOM 834 CG1 VAL A 50 4.864 -10.581 -0.883 1.00 0.00 C ATOM 835 CG2 VAL A 50 3.558 -8.509 -1.464 1.00 0.00 C ATOM 0 H VAL A 50 3.537 -7.233 0.899 1.00 0.00 H new ATOM 0 HA VAL A 50 2.693 -9.915 0.729 1.00 0.00 H new ATOM 0 HB VAL A 50 5.280 -8.604 -0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.423 -10.464 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.505 -11.037 -0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.999 -11.220 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.136 -8.431 -2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.652 -9.085 -1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.288 -7.511 -1.120 1.00 0.00 H new ATOM 845 N GLU A 51 5.300 -9.283 2.655 1.00 0.00 N ATOM 846 CA GLU A 51 6.128 -9.793 3.751 1.00 0.00 C ATOM 847 C GLU A 51 5.249 -10.336 4.883 1.00 0.00 C ATOM 848 O GLU A 51 5.554 -11.364 5.494 1.00 0.00 O ATOM 849 CB GLU A 51 7.028 -8.660 4.275 1.00 0.00 C ATOM 850 CG GLU A 51 8.030 -9.073 5.345 1.00 0.00 C ATOM 851 CD GLU A 51 8.810 -7.885 5.895 1.00 0.00 C ATOM 852 OE1 GLU A 51 9.647 -7.317 5.157 1.00 0.00 O ATOM 853 OE2 GLU A 51 8.593 -7.505 7.064 1.00 0.00 O ATOM 0 H GLU A 51 5.443 -8.293 2.455 1.00 0.00 H new ATOM 0 HA GLU A 51 6.748 -10.610 3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.574 -8.232 3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.394 -7.870 4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.504 -9.569 6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.726 -9.800 4.927 1.00 0.00 H new ATOM 860 N GLU A 52 4.149 -9.635 5.141 1.00 0.00 N ATOM 861 CA GLU A 52 3.220 -9.987 6.212 1.00 0.00 C ATOM 862 C GLU A 52 2.318 -11.150 5.790 1.00 0.00 C ATOM 863 O GLU A 52 1.892 -11.950 6.623 1.00 0.00 O ATOM 864 CB GLU A 52 2.379 -8.761 6.592 1.00 0.00 C ATOM 865 CG GLU A 52 3.194 -7.577 7.123 1.00 0.00 C ATOM 866 CD GLU A 52 3.897 -7.847 8.449 1.00 0.00 C ATOM 867 OE1 GLU A 52 4.826 -8.683 8.485 1.00 0.00 O ATOM 868 OE2 GLU A 52 3.566 -7.185 9.455 1.00 0.00 O ATOM 0 H GLU A 52 3.876 -8.806 4.613 1.00 0.00 H new ATOM 0 HA GLU A 52 3.793 -10.307 7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.816 -8.436 5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.651 -9.055 7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.941 -7.301 6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.532 -6.719 7.244 1.00 0.00 H new ATOM 875 N GLY A 53 2.024 -11.233 4.494 1.00 0.00 N ATOM 876 CA GLY A 53 1.289 -12.372 3.956 1.00 0.00 C ATOM 877 C GLY A 53 -0.123 -12.038 3.503 1.00 0.00 C ATOM 878 O GLY A 53 -0.777 -12.866 2.862 1.00 0.00 O ATOM 0 H GLY A 53 2.282 -10.529 3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.843 -12.783 3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.241 -13.152 4.716 1.00 0.00 H new ATOM 882 N GLY A 54 -0.616 -10.845 3.833 1.00 0.00 N ATOM 883 CA GLY A 54 -1.945 -10.456 3.382 1.00 0.00 C ATOM 884 C GLY A 54 -2.476 -9.206 4.059 1.00 0.00 C ATOM 885 O GLY A 54 -2.419 -9.092 5.284 1.00 0.00 O ATOM 0 H GLY A 54 -0.128 -10.149 4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.920 -10.293 2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.636 -11.279 3.564 1.00 0.00 H new ATOM 889 N TYR A 55 -3.018 -8.286 3.259 1.00 0.00 N ATOM 890 CA TYR A 55 -3.630 -7.053 3.760 1.00 0.00 C ATOM 891 C TYR A 55 -4.667 -7.347 4.846 1.00 0.00 C ATOM 892 O TYR A 55 -4.620 -6.766 5.935 1.00 0.00 O ATOM 893 CB TYR A 55 -4.270 -6.291 2.585 1.00 0.00 C ATOM 894 CG TYR A 55 -5.351 -5.294 2.966 1.00 0.00 C ATOM 895 CD1 TYR A 55 -5.036 -4.086 3.570 1.00 0.00 C ATOM 896 CD2 TYR A 55 -6.690 -5.566 2.710 1.00 0.00 C ATOM 897 CE1 TYR A 55 -6.020 -3.178 3.912 1.00 0.00 C ATOM 898 CE2 TYR A 55 -7.678 -4.663 3.047 1.00 0.00 C ATOM 899 CZ TYR A 55 -7.338 -3.472 3.647 1.00 0.00 C ATOM 900 OH TYR A 55 -8.323 -2.576 3.987 1.00 0.00 O ATOM 0 H TYR A 55 -3.045 -8.375 2.243 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.855 -6.435 4.213 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.484 -5.761 2.047 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.697 -7.017 1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.002 -3.851 3.777 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.962 -6.499 2.240 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.756 -2.243 4.384 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.714 -4.890 2.841 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.188 -2.900 3.659 1.00 0.00 H new ATOM 910 N GLU A 56 -5.590 -8.258 4.547 1.00 0.00 N ATOM 911 CA GLU A 56 -6.654 -8.613 5.482 1.00 0.00 C ATOM 912 C GLU A 56 -6.068 -9.063 6.819 1.00 0.00 C ATOM 913 O GLU A 56 -6.514 -8.625 7.878 1.00 0.00 O ATOM 914 CB GLU A 56 -7.559 -9.704 4.885 1.00 0.00 C ATOM 915 CG GLU A 56 -8.743 -10.101 5.777 1.00 0.00 C ATOM 916 CD GLU A 56 -8.492 -11.360 6.603 1.00 0.00 C ATOM 917 OE1 GLU A 56 -7.831 -11.279 7.657 1.00 0.00 O ATOM 918 OE2 GLU A 56 -8.969 -12.443 6.208 1.00 0.00 O ATOM 0 H GLU A 56 -5.622 -8.765 3.662 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.264 -7.727 5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.943 -9.357 3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.957 -10.590 4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.973 -9.275 6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.622 -10.256 5.151 1.00 0.00 H new ATOM 925 N ALA A 57 -5.048 -9.915 6.760 1.00 0.00 N ATOM 926 CA ALA A 57 -4.413 -10.434 7.968 1.00 0.00 C ATOM 927 C ALA A 57 -3.861 -9.291 8.812 1.00 0.00 C ATOM 928 O ALA A 57 -4.086 -9.229 10.021 1.00 0.00 O ATOM 929 CB ALA A 57 -3.309 -11.424 7.608 1.00 0.00 C ATOM 0 H ALA A 57 -4.644 -10.260 5.890 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.164 -10.961 8.556 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.847 -11.801 8.520 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.735 -12.256 7.047 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.556 -10.924 6.999 1.00 0.00 H new ATOM 935 N ILE A 58 -3.156 -8.372 8.160 1.00 0.00 N ATOM 936 CA ILE A 58 -2.591 -7.211 8.845 1.00 0.00 C ATOM 937 C ILE A 58 -3.713 -6.331 9.390 1.00 0.00 C ATOM 938 O ILE A 58 -3.543 -5.639 10.394 1.00 0.00 O ATOM 939 CB ILE A 58 -1.706 -6.353 7.905 1.00 0.00 C ATOM 940 CG1 ILE A 58 -0.799 -7.236 7.044 1.00 0.00 C ATOM 941 CG2 ILE A 58 -0.861 -5.371 8.715 1.00 0.00 C ATOM 942 CD1 ILE A 58 -0.077 -6.473 5.952 1.00 0.00 C ATOM 0 H ILE A 58 -2.962 -8.407 7.159 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.969 -7.590 9.656 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.367 -5.792 7.244 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.063 -7.722 7.685 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.398 -8.026 6.590 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.246 -4.777 8.039 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.516 -4.711 9.284 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.218 -5.923 9.400 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.548 -7.159 5.381 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.807 -6.009 5.289 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.548 -5.701 6.400 1.00 0.00 H new ATOM 954 N CYS A 59 -4.860 -6.371 8.715 1.00 0.00 N ATOM 955 CA CYS A 59 -6.017 -5.568 9.092 1.00 0.00 C ATOM 956 C CYS A 59 -6.653 -6.102 10.373 1.00 0.00 C ATOM 957 O CYS A 59 -6.832 -5.361 11.342 1.00 0.00 O ATOM 958 CB CYS A 59 -7.045 -5.553 7.952 1.00 0.00 C ATOM 959 SG CYS A 59 -8.519 -4.567 8.292 1.00 0.00 S ATOM 0 H CYS A 59 -5.011 -6.959 7.895 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.682 -4.548 9.278 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.566 -5.169 7.051 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.349 -6.578 7.739 1.00 0.00 H new ATOM 0 HG CYS A 59 -9.226 -4.455 7.207 1.00 0.00 H new ATOM 965 N LYS A 60 -6.962 -7.396 10.384 1.00 0.00 N ATOM 966 CA LYS A 60 -7.637 -8.011 11.523 1.00 0.00 C ATOM 967 C LYS A 60 -6.709 -8.069 12.736 1.00 0.00 C ATOM 968 O LYS A 60 -7.148 -7.894 13.875 1.00 0.00 O ATOM 969 CB LYS A 60 -8.143 -9.413 11.157 1.00 0.00 C ATOM 970 CG LYS A 60 -9.178 -9.420 10.023 1.00 0.00 C ATOM 971 CD LYS A 60 -10.401 -10.280 10.352 1.00 0.00 C ATOM 972 CE LYS A 60 -10.034 -11.733 10.637 1.00 0.00 C ATOM 973 NZ LYS A 60 -9.477 -12.422 9.442 1.00 0.00 N ATOM 0 H LYS A 60 -6.756 -8.038 9.618 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.497 -7.395 11.785 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.294 -10.031 10.866 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.583 -9.873 12.042 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.500 -8.398 9.822 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.711 -9.792 9.111 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.913 -9.861 11.218 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.102 -10.243 9.518 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.305 -11.769 11.446 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.919 -12.268 10.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.165 -13.378 9.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.209 -12.488 8.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.667 -11.882 9.076 1.00 0.00 H new ATOM 987 N ASP A 61 -5.423 -8.310 12.488 1.00 0.00 N ATOM 988 CA ASP A 61 -4.420 -8.294 13.556 1.00 0.00 C ATOM 989 C ASP A 61 -4.044 -6.855 13.907 1.00 0.00 C ATOM 990 O ASP A 61 -3.480 -6.592 14.973 1.00 0.00 O ATOM 991 CB ASP A 61 -3.163 -9.084 13.151 1.00 0.00 C ATOM 992 CG ASP A 61 -3.409 -10.586 13.061 1.00 0.00 C ATOM 993 OD1 ASP A 61 -3.816 -11.186 14.079 1.00 0.00 O ATOM 994 OD2 ASP A 61 -3.196 -11.174 11.975 1.00 0.00 O ATOM 0 H ASP A 61 -5.050 -8.518 11.562 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.855 -8.774 14.433 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.807 -8.721 12.187 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.371 -8.893 13.876 1.00 0.00 H new ATOM 999 N ARG A 62 -4.361 -5.934 12.992 1.00 0.00 N ATOM 1000 CA ARG A 62 -4.066 -4.511 13.162 1.00 0.00 C ATOM 1001 C ARG A 62 -2.553 -4.310 13.292 1.00 0.00 C ATOM 1002 O ARG A 62 -2.072 -3.420 13.996 1.00 0.00 O ATOM 1003 CB ARG A 62 -4.834 -3.942 14.370 1.00 0.00 C ATOM 1004 CG ARG A 62 -4.790 -2.417 14.483 1.00 0.00 C ATOM 1005 CD ARG A 62 -5.798 -1.896 15.501 1.00 0.00 C ATOM 1006 NE ARG A 62 -5.619 -2.503 16.821 1.00 0.00 N ATOM 1007 CZ ARG A 62 -6.585 -3.128 17.499 1.00 0.00 C ATOM 1008 NH1 ARG A 62 -7.803 -3.250 16.977 1.00 0.00 N ATOM 1009 NH2 ARG A 62 -6.325 -3.635 18.696 1.00 0.00 N ATOM 0 H ARG A 62 -4.829 -6.155 12.113 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.402 -3.960 12.283 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.875 -4.260 14.306 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.424 -4.374 15.283 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.787 -2.103 14.771 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.995 -1.974 13.508 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.700 -0.814 15.585 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.808 -2.098 15.145 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.696 -2.445 17.251 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.003 -2.865 16.054 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.536 -3.729 17.500 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.391 -3.547 19.095 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.059 -4.113 19.218 1.00 0.00 H new ATOM 1023 N ARG A 63 -1.809 -5.132 12.556 1.00 0.00 N ATOM 1024 CA ARG A 63 -0.349 -5.122 12.607 1.00 0.00 C ATOM 1025 C ARG A 63 0.205 -3.877 11.901 1.00 0.00 C ATOM 1026 O ARG A 63 1.407 -3.604 11.951 1.00 0.00 O ATOM 1027 CB ARG A 63 0.202 -6.408 11.966 1.00 0.00 C ATOM 1028 CG ARG A 63 1.693 -6.662 12.205 1.00 0.00 C ATOM 1029 CD ARG A 63 1.988 -7.189 13.612 1.00 0.00 C ATOM 1030 NE ARG A 63 1.653 -6.222 14.668 1.00 0.00 N ATOM 1031 CZ ARG A 63 2.544 -5.675 15.498 1.00 0.00 C ATOM 1032 NH1 ARG A 63 3.834 -5.984 15.402 1.00 0.00 N ATOM 1033 NH2 ARG A 63 2.140 -4.821 16.430 1.00 0.00 N ATOM 0 H ARG A 63 -2.198 -5.820 11.911 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.029 -5.086 13.648 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.362 -7.258 12.350 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.024 -6.366 10.892 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.057 -7.380 11.470 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.245 -5.735 12.046 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.425 -8.108 13.776 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.045 -7.446 13.684 1.00 0.00 H new ATOM 0 HE ARG A 63 0.675 -5.951 14.773 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.149 -6.643 14.690 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.508 -5.562 16.040 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.151 -4.584 16.511 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.818 -4.401 17.066 1.00 0.00 H new ATOM 1047 N TRP A 64 -0.693 -3.114 11.261 1.00 0.00 N ATOM 1048 CA TRP A 64 -0.328 -1.858 10.594 1.00 0.00 C ATOM 1049 C TRP A 64 0.443 -0.946 11.539 1.00 0.00 C ATOM 1050 O TRP A 64 1.223 -0.102 11.103 1.00 0.00 O ATOM 1051 CB TRP A 64 -1.576 -1.118 10.091 1.00 0.00 C ATOM 1052 CG TRP A 64 -2.385 -1.895 9.099 1.00 0.00 C ATOM 1053 CD1 TRP A 64 -3.660 -2.355 9.261 1.00 0.00 C ATOM 1054 CD2 TRP A 64 -1.972 -2.306 7.789 1.00 0.00 C ATOM 1055 NE1 TRP A 64 -4.064 -3.023 8.134 1.00 0.00 N ATOM 1056 CE2 TRP A 64 -3.047 -3.008 7.220 1.00 0.00 C ATOM 1057 CE3 TRP A 64 -0.798 -2.150 7.041 1.00 0.00 C ATOM 1058 CZ2 TRP A 64 -2.986 -3.552 5.947 1.00 0.00 C ATOM 1059 CZ3 TRP A 64 -0.741 -2.693 5.773 1.00 0.00 C ATOM 1060 CH2 TRP A 64 -1.830 -3.386 5.236 1.00 0.00 C ATOM 0 H TRP A 64 -1.683 -3.348 11.192 1.00 0.00 H new ATOM 0 HA TRP A 64 0.304 -2.114 9.744 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -2.207 -0.869 10.944 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.269 -0.176 9.636 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -4.262 -2.214 10.147 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.976 -3.460 7.999 1.00 0.00 H new ATOM 0 HE3 TRP A 64 0.047 -1.615 7.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.825 -4.090 5.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.159 -2.581 5.187 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.757 -3.798 4.240 1.00 0.00 H new ATOM 1071 N ALA A 65 0.203 -1.121 12.835 1.00 0.00 N ATOM 1072 CA ALA A 65 0.898 -0.365 13.867 1.00 0.00 C ATOM 1073 C ALA A 65 2.412 -0.456 13.683 1.00 0.00 C ATOM 1074 O ALA A 65 3.109 0.564 13.629 1.00 0.00 O ATOM 1075 CB ALA A 65 0.496 -0.883 15.241 1.00 0.00 C ATOM 0 H ALA A 65 -0.477 -1.789 13.197 1.00 0.00 H new ATOM 0 HA ALA A 65 0.613 0.684 13.783 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.018 -0.315 16.011 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.580 -0.769 15.372 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.762 -1.937 15.325 1.00 0.00 H new ATOM 1081 N ARG A 66 2.915 -1.686 13.552 1.00 0.00 N ATOM 1082 CA ARG A 66 4.353 -1.912 13.433 1.00 0.00 C ATOM 1083 C ARG A 66 4.849 -1.423 12.074 1.00 0.00 C ATOM 1084 O ARG A 66 6.000 -1.013 11.932 1.00 0.00 O ATOM 1085 CB ARG A 66 4.696 -3.402 13.659 1.00 0.00 C ATOM 1086 CG ARG A 66 4.553 -4.321 12.434 1.00 0.00 C ATOM 1087 CD ARG A 66 5.850 -4.406 11.629 1.00 0.00 C ATOM 1088 NE ARG A 66 5.805 -5.428 10.580 1.00 0.00 N ATOM 1089 CZ ARG A 66 6.867 -5.788 9.851 1.00 0.00 C ATOM 1090 NH1 ARG A 66 8.048 -5.208 10.057 1.00 0.00 N ATOM 1091 NH2 ARG A 66 6.755 -6.734 8.932 1.00 0.00 N ATOM 0 H ARG A 66 2.350 -2.535 13.526 1.00 0.00 H new ATOM 0 HA ARG A 66 4.865 -1.340 14.207 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.723 -3.467 14.019 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.055 -3.785 14.453 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.263 -5.319 12.761 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.752 -3.950 11.794 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.054 -3.436 11.176 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.677 -4.623 12.305 1.00 0.00 H new ATOM 0 HE ARG A 66 4.915 -5.890 10.396 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.144 -4.487 10.772 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.856 -5.485 9.500 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.856 -7.191 8.778 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.567 -7.006 8.378 1.00 0.00 H new ATOM 1105 N VAL A 67 3.964 -1.468 11.080 1.00 0.00 N ATOM 1106 CA VAL A 67 4.285 -0.990 9.740 1.00 0.00 C ATOM 1107 C VAL A 67 4.509 0.520 9.771 1.00 0.00 C ATOM 1108 O VAL A 67 5.533 1.019 9.301 1.00 0.00 O ATOM 1109 CB VAL A 67 3.158 -1.334 8.729 1.00 0.00 C ATOM 1110 CG1 VAL A 67 3.511 -0.842 7.325 1.00 0.00 C ATOM 1111 CG2 VAL A 67 2.878 -2.838 8.726 1.00 0.00 C ATOM 0 H VAL A 67 3.016 -1.832 11.180 1.00 0.00 H new ATOM 0 HA VAL A 67 5.196 -1.491 9.412 1.00 0.00 H new ATOM 0 HB VAL A 67 2.251 -0.818 9.044 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.705 -1.096 6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.646 0.239 7.342 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.434 -1.318 6.994 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.085 -3.059 8.011 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.783 -3.376 8.443 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.566 -3.152 9.722 1.00 0.00 H new ATOM 1121 N ALA A 68 3.557 1.238 10.363 1.00 0.00 N ATOM 1122 CA ALA A 68 3.645 2.687 10.495 1.00 0.00 C ATOM 1123 C ALA A 68 4.903 3.076 11.264 1.00 0.00 C ATOM 1124 O ALA A 68 5.613 4.012 10.889 1.00 0.00 O ATOM 1125 CB ALA A 68 2.400 3.233 11.189 1.00 0.00 C ATOM 0 H ALA A 68 2.710 0.834 10.761 1.00 0.00 H new ATOM 0 HA ALA A 68 3.704 3.125 9.498 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.480 4.316 11.281 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.517 2.983 10.601 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.313 2.790 12.181 1.00 0.00 H new ATOM 1131 N GLN A 69 5.180 2.337 12.338 1.00 0.00 N ATOM 1132 CA GLN A 69 6.380 2.562 13.137 1.00 0.00 C ATOM 1133 C GLN A 69 7.636 2.279 12.304 1.00 0.00 C ATOM 1134 O GLN A 69 8.653 2.964 12.434 1.00 0.00 O ATOM 1135 CB GLN A 69 6.355 1.676 14.393 1.00 0.00 C ATOM 1136 CG GLN A 69 7.475 1.976 15.386 1.00 0.00 C ATOM 1137 CD GLN A 69 7.414 1.097 16.625 1.00 0.00 C ATOM 1138 OE1 GLN A 69 6.339 0.664 17.045 1.00 0.00 O ATOM 1139 NE2 GLN A 69 8.564 0.840 17.228 1.00 0.00 N ATOM 0 H GLN A 69 4.588 1.577 12.673 1.00 0.00 H new ATOM 0 HA GLN A 69 6.402 3.606 13.449 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.395 1.801 14.895 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.422 0.631 14.090 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.438 1.837 14.894 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.419 3.023 15.685 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.433 1.216 16.850 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.581 0.266 18.071 1.00 0.00 H new ATOM 1148 N ARG A 70 7.553 1.268 11.438 1.00 0.00 N ATOM 1149 CA ARG A 70 8.655 0.918 10.538 1.00 0.00 C ATOM 1150 C ARG A 70 8.864 2.021 9.496 1.00 0.00 C ATOM 1151 O ARG A 70 9.976 2.242 9.018 1.00 0.00 O ATOM 1152 CB ARG A 70 8.375 -0.432 9.849 1.00 0.00 C ATOM 1153 CG ARG A 70 9.475 -0.883 8.889 1.00 0.00 C ATOM 1154 CD ARG A 70 9.159 -2.230 8.242 1.00 0.00 C ATOM 1155 NE ARG A 70 10.198 -2.632 7.290 1.00 0.00 N ATOM 1156 CZ ARG A 70 10.235 -3.806 6.654 1.00 0.00 C ATOM 1157 NH1 ARG A 70 9.272 -4.705 6.834 1.00 0.00 N ATOM 1158 NH2 ARG A 70 11.239 -4.068 5.830 1.00 0.00 N ATOM 0 H ARG A 70 6.730 0.674 11.340 1.00 0.00 H new ATOM 0 HA ARG A 70 9.568 0.823 11.126 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.239 -1.197 10.614 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.436 -0.360 9.300 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.607 -0.131 8.112 1.00 0.00 H new ATOM 0 HG3 ARG A 70 10.419 -0.954 9.429 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.061 -2.991 9.016 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.199 -2.171 7.729 1.00 0.00 H new ATOM 0 HE ARG A 70 10.947 -1.967 7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.495 -4.501 7.463 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.310 -5.598 6.343 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.975 -3.376 5.686 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.276 -4.962 5.340 1.00 0.00 H new ATOM 1172 N LEU A 71 7.782 2.719 9.163 1.00 0.00 N ATOM 1173 CA LEU A 71 7.828 3.830 8.210 1.00 0.00 C ATOM 1174 C LEU A 71 8.296 5.131 8.879 1.00 0.00 C ATOM 1175 O LEU A 71 8.161 6.207 8.296 1.00 0.00 O ATOM 1176 CB LEU A 71 6.461 4.019 7.525 1.00 0.00 C ATOM 1177 CG LEU A 71 6.249 3.205 6.230 1.00 0.00 C ATOM 1178 CD1 LEU A 71 6.422 1.708 6.473 1.00 0.00 C ATOM 1179 CD2 LEU A 71 4.872 3.496 5.632 1.00 0.00 C ATOM 0 H LEU A 71 6.853 2.534 9.542 1.00 0.00 H new ATOM 0 HA LEU A 71 8.561 3.578 7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.678 3.751 8.235 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.333 5.077 7.294 1.00 0.00 H new ATOM 0 HG LEU A 71 7.013 3.515 5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.265 1.167 5.540 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.429 1.513 6.841 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.695 1.373 7.213 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.741 2.913 4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.099 3.225 6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.794 4.558 5.399 1.00 0.00 H new ATOM 1191 N ASN A 72 8.814 5.018 10.111 1.00 0.00 N ATOM 1192 CA ASN A 72 9.499 6.128 10.803 1.00 0.00 C ATOM 1193 C ASN A 72 8.511 7.102 11.459 1.00 0.00 C ATOM 1194 O ASN A 72 8.916 8.096 12.066 1.00 0.00 O ATOM 1195 CB ASN A 72 10.479 6.855 9.834 1.00 0.00 C ATOM 1196 CG ASN A 72 10.201 8.346 9.643 1.00 0.00 C ATOM 1197 OD1 ASN A 72 10.786 9.194 10.321 1.00 0.00 O ATOM 1198 ND2 ASN A 72 9.314 8.675 8.716 1.00 0.00 N ATOM 0 H ASN A 72 8.772 4.158 10.658 1.00 0.00 H new ATOM 0 HA ASN A 72 10.086 5.700 11.616 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.495 6.734 10.209 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.437 6.364 8.862 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.096 9.657 8.544 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.849 7.947 8.174 1.00 0.00 H new ATOM 1205 N TYR A 73 7.223 6.784 11.400 1.00 0.00 N ATOM 1206 CA TYR A 73 6.199 7.670 11.952 1.00 0.00 C ATOM 1207 C TYR A 73 6.234 7.637 13.486 1.00 0.00 C ATOM 1208 O TYR A 73 6.617 6.624 14.079 1.00 0.00 O ATOM 1209 CB TYR A 73 4.812 7.276 11.424 1.00 0.00 C ATOM 1210 CG TYR A 73 4.724 7.285 9.908 1.00 0.00 C ATOM 1211 CD1 TYR A 73 5.373 8.265 9.163 1.00 0.00 C ATOM 1212 CD2 TYR A 73 4.002 6.314 9.224 1.00 0.00 C ATOM 1213 CE1 TYR A 73 5.309 8.271 7.784 1.00 0.00 C ATOM 1214 CE2 TYR A 73 3.932 6.317 7.845 1.00 0.00 C ATOM 1215 CZ TYR A 73 4.589 7.296 7.131 1.00 0.00 C ATOM 1216 OH TYR A 73 4.532 7.296 5.755 1.00 0.00 O ATOM 0 H TYR A 73 6.863 5.927 10.980 1.00 0.00 H new ATOM 0 HA TYR A 73 6.407 8.691 11.631 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.560 6.281 11.790 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.068 7.962 11.829 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.936 9.033 9.672 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.487 5.545 9.780 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.821 9.037 7.220 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.365 5.556 7.329 1.00 0.00 H new ATOM 0 HH TYR A 73 4.839 8.162 5.415 1.00 0.00 H new ATOM 1226 N PRO A 74 5.859 8.755 14.143 1.00 0.00 N ATOM 1227 CA PRO A 74 5.911 8.880 15.610 1.00 0.00 C ATOM 1228 C PRO A 74 5.013 7.864 16.324 1.00 0.00 C ATOM 1229 O PRO A 74 4.068 7.333 15.729 1.00 0.00 O ATOM 1230 CB PRO A 74 5.421 10.319 15.869 1.00 0.00 C ATOM 1231 CG PRO A 74 4.656 10.688 14.644 1.00 0.00 C ATOM 1232 CD PRO A 74 5.352 9.989 13.510 1.00 0.00 C ATOM 0 HA PRO A 74 6.911 8.683 15.995 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.792 10.369 16.758 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.258 10.998 16.032 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.616 10.371 14.721 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.650 11.768 14.495 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.668 9.770 12.690 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.160 10.593 13.099 1.00 0.00 H new ATOM 1240 N PRO A 75 5.305 7.576 17.613 1.00 0.00 N ATOM 1241 CA PRO A 75 4.512 6.639 18.422 1.00 0.00 C ATOM 1242 C PRO A 75 3.029 7.016 18.470 1.00 0.00 C ATOM 1243 O PRO A 75 2.652 8.154 18.172 1.00 0.00 O ATOM 1244 CB PRO A 75 5.143 6.743 19.819 1.00 0.00 C ATOM 1245 CG PRO A 75 6.533 7.223 19.571 1.00 0.00 C ATOM 1246 CD PRO A 75 6.439 8.136 18.378 1.00 0.00 C ATOM 0 HA PRO A 75 4.532 5.631 18.008 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.591 7.438 20.452 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.142 5.779 20.327 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.926 7.752 20.439 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.207 6.389 19.374 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.254 9.168 18.675 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.360 8.132 17.794 1.00 0.00 H new ATOM 1254 N GLY A 76 2.199 6.061 18.872 1.00 0.00 N ATOM 1255 CA GLY A 76 0.763 6.269 18.914 1.00 0.00 C ATOM 1256 C GLY A 76 0.030 5.274 18.039 1.00 0.00 C ATOM 1257 O GLY A 76 -1.096 4.882 18.343 1.00 0.00 O ATOM 0 H GLY A 76 2.500 5.134 19.173 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.412 6.179 19.942 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.532 7.282 18.586 1.00 0.00 H new ATOM 1261 N LYS A 77 0.675 4.892 16.934 1.00 0.00 N ATOM 1262 CA LYS A 77 0.182 3.829 16.047 1.00 0.00 C ATOM 1263 C LYS A 77 -1.123 4.214 15.332 1.00 0.00 C ATOM 1264 O LYS A 77 -1.664 3.422 14.556 1.00 0.00 O ATOM 1265 CB LYS A 77 -0.014 2.521 16.836 1.00 0.00 C ATOM 1266 CG LYS A 77 1.236 2.059 17.587 1.00 0.00 C ATOM 1267 CD LYS A 77 0.992 0.775 18.380 1.00 0.00 C ATOM 1268 CE LYS A 77 -0.124 0.932 19.409 1.00 0.00 C ATOM 1269 NZ LYS A 77 -0.346 -0.323 20.176 1.00 0.00 N ATOM 0 H LYS A 77 1.554 5.309 16.627 1.00 0.00 H new ATOM 0 HA LYS A 77 0.940 3.682 15.278 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.826 2.657 17.550 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.324 1.735 16.147 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.046 1.896 16.876 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.562 2.847 18.266 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.738 -0.031 17.692 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.912 0.483 18.887 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.126 1.739 20.097 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.047 1.218 18.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.111 -0.178 20.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.609 -1.088 19.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.527 -0.582 20.678 1.00 0.00 H new ATOM 1283 N ASN A 78 -1.607 5.436 15.567 1.00 0.00 N ATOM 1284 CA ASN A 78 -2.882 5.892 14.996 1.00 0.00 C ATOM 1285 C ASN A 78 -2.811 5.976 13.471 1.00 0.00 C ATOM 1286 O ASN A 78 -3.836 5.901 12.787 1.00 0.00 O ATOM 1287 CB ASN A 78 -3.288 7.257 15.577 1.00 0.00 C ATOM 1288 CG ASN A 78 -2.260 8.347 15.312 1.00 0.00 C ATOM 1289 OD1 ASN A 78 -2.259 8.975 14.254 1.00 0.00 O ATOM 1290 ND2 ASN A 78 -1.391 8.596 16.282 1.00 0.00 N ATOM 0 H ASN A 78 -1.137 6.130 16.149 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.639 5.156 15.265 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -4.245 7.557 15.150 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.435 7.158 16.652 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.692 9.329 16.164 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.422 8.055 17.146 1.00 0.00 H new ATOM 1297 N ILE A 79 -1.597 6.116 12.943 1.00 0.00 N ATOM 1298 CA ILE A 79 -1.387 6.224 11.498 1.00 0.00 C ATOM 1299 C ILE A 79 -1.849 4.942 10.792 1.00 0.00 C ATOM 1300 O ILE A 79 -2.178 4.956 9.604 1.00 0.00 O ATOM 1301 CB ILE A 79 0.106 6.512 11.138 1.00 0.00 C ATOM 1302 CG1 ILE A 79 0.577 7.863 11.721 1.00 0.00 C ATOM 1303 CG2 ILE A 79 0.317 6.502 9.623 1.00 0.00 C ATOM 1304 CD1 ILE A 79 0.816 7.855 13.218 1.00 0.00 C ATOM 0 H ILE A 79 -0.740 6.158 13.495 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.983 7.069 11.152 1.00 0.00 H new ATOM 0 HB ILE A 79 0.703 5.716 11.584 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.499 8.158 11.221 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.169 8.624 11.489 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.364 6.705 9.400 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.044 5.525 9.224 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.307 7.269 9.164 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.144 8.844 13.539 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.109 7.594 13.733 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.585 7.121 13.460 1.00 0.00 H new ATOM 1316 N GLY A 80 -1.897 3.842 11.546 1.00 0.00 N ATOM 1317 CA GLY A 80 -2.292 2.556 10.988 1.00 0.00 C ATOM 1318 C GLY A 80 -3.672 2.589 10.348 1.00 0.00 C ATOM 1319 O GLY A 80 -3.886 1.999 9.285 1.00 0.00 O ATOM 0 H GLY A 80 -1.668 3.820 12.540 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.558 2.248 10.243 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.280 1.804 11.777 1.00 0.00 H new ATOM 1323 N SER A 81 -4.606 3.284 10.992 1.00 0.00 N ATOM 1324 CA SER A 81 -5.970 3.404 10.482 1.00 0.00 C ATOM 1325 C SER A 81 -5.987 4.207 9.179 1.00 0.00 C ATOM 1326 O SER A 81 -6.650 3.834 8.208 1.00 0.00 O ATOM 1327 CB SER A 81 -6.859 4.069 11.539 1.00 0.00 C ATOM 1328 OG SER A 81 -6.749 3.395 12.784 1.00 0.00 O ATOM 0 H SER A 81 -4.443 3.774 11.871 1.00 0.00 H new ATOM 0 HA SER A 81 -6.359 2.408 10.269 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.571 5.113 11.659 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.897 4.061 11.206 1.00 0.00 H new ATOM 0 HG SER A 81 -7.322 3.835 13.446 1.00 0.00 H new ATOM 1334 N LEU A 82 -5.227 5.302 9.170 1.00 0.00 N ATOM 1335 CA LEU A 82 -5.092 6.166 7.997 1.00 0.00 C ATOM 1336 C LEU A 82 -4.507 5.365 6.827 1.00 0.00 C ATOM 1337 O LEU A 82 -4.955 5.478 5.676 1.00 0.00 O ATOM 1338 CB LEU A 82 -4.199 7.374 8.373 1.00 0.00 C ATOM 1339 CG LEU A 82 -4.013 8.487 7.315 1.00 0.00 C ATOM 1340 CD1 LEU A 82 -2.960 8.106 6.274 1.00 0.00 C ATOM 1341 CD2 LEU A 82 -5.345 8.831 6.646 1.00 0.00 C ATOM 0 H LEU A 82 -4.687 5.615 9.977 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.066 6.540 7.680 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.614 7.831 9.271 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.212 6.993 8.636 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.652 9.375 7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.858 8.913 5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.003 7.939 6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.268 7.194 5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.189 9.616 5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.745 7.944 6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.052 9.178 7.400 1.00 0.00 H new ATOM 1353 N LEU A 83 -3.514 4.543 7.146 1.00 0.00 N ATOM 1354 CA LEU A 83 -2.861 3.686 6.164 1.00 0.00 C ATOM 1355 C LEU A 83 -3.858 2.687 5.576 1.00 0.00 C ATOM 1356 O LEU A 83 -3.967 2.551 4.354 1.00 0.00 O ATOM 1357 CB LEU A 83 -1.683 2.948 6.822 1.00 0.00 C ATOM 1358 CG LEU A 83 -0.956 1.920 5.937 1.00 0.00 C ATOM 1359 CD1 LEU A 83 -0.398 2.578 4.678 1.00 0.00 C ATOM 1360 CD2 LEU A 83 0.157 1.228 6.723 1.00 0.00 C ATOM 0 H LEU A 83 -3.140 4.452 8.090 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.482 4.305 5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.957 3.689 7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.051 2.437 7.712 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.681 1.166 5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.111 1.829 4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.214 3.017 4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.309 3.359 4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.660 0.505 6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.877 1.971 7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.271 0.714 7.584 1.00 0.00 H new ATOM 1372 N ARG A 84 -4.597 2.010 6.453 1.00 0.00 N ATOM 1373 CA ARG A 84 -5.544 0.978 6.030 1.00 0.00 C ATOM 1374 C ARG A 84 -6.638 1.573 5.147 1.00 0.00 C ATOM 1375 O ARG A 84 -7.007 0.991 4.127 1.00 0.00 O ATOM 1376 CB ARG A 84 -6.192 0.294 7.243 1.00 0.00 C ATOM 1377 CG ARG A 84 -6.871 -1.033 6.898 1.00 0.00 C ATOM 1378 CD ARG A 84 -7.920 -1.429 7.933 1.00 0.00 C ATOM 1379 NE ARG A 84 -9.164 -0.674 7.763 1.00 0.00 N ATOM 1380 CZ ARG A 84 -9.961 -0.291 8.760 1.00 0.00 C ATOM 1381 NH1 ARG A 84 -9.647 -0.568 10.020 1.00 0.00 N ATOM 1382 NH2 ARG A 84 -11.082 0.365 8.495 1.00 0.00 N ATOM 0 H ARG A 84 -4.559 2.157 7.462 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.984 0.237 5.459 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.430 0.118 8.002 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.928 0.968 7.681 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.341 -0.955 5.918 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.118 -1.818 6.828 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.128 -2.496 7.850 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.525 -1.258 8.935 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.440 -0.424 6.813 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.789 -1.078 10.232 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.263 -0.271 10.776 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.333 0.576 7.529 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.693 0.659 9.257 1.00 0.00 H new ATOM 1396 N SER A 85 -7.154 2.735 5.544 1.00 0.00 N ATOM 1397 CA SER A 85 -8.237 3.382 4.811 1.00 0.00 C ATOM 1398 C SER A 85 -7.772 3.778 3.408 1.00 0.00 C ATOM 1399 O SER A 85 -8.445 3.484 2.414 1.00 0.00 O ATOM 1400 CB SER A 85 -8.750 4.608 5.580 1.00 0.00 C ATOM 1401 OG SER A 85 -7.716 5.556 5.792 1.00 0.00 O ATOM 0 H SER A 85 -6.839 3.246 6.369 1.00 0.00 H new ATOM 0 HA SER A 85 -9.059 2.673 4.711 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.564 5.073 5.024 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.159 4.292 6.540 1.00 0.00 H new ATOM 0 HG SER A 85 -6.849 5.099 5.793 1.00 0.00 H new ATOM 1407 N HIS A 86 -6.609 4.429 3.328 1.00 0.00 N ATOM 1408 CA HIS A 86 -6.043 4.812 2.032 1.00 0.00 C ATOM 1409 C HIS A 86 -5.725 3.577 1.194 1.00 0.00 C ATOM 1410 O HIS A 86 -5.816 3.610 -0.036 1.00 0.00 O ATOM 1411 CB HIS A 86 -4.791 5.682 2.205 1.00 0.00 C ATOM 1412 CG HIS A 86 -5.085 7.091 2.628 1.00 0.00 C ATOM 1413 ND1 HIS A 86 -6.261 7.745 2.322 1.00 0.00 N ATOM 1414 CD2 HIS A 86 -4.340 7.978 3.324 1.00 0.00 C ATOM 1415 CE1 HIS A 86 -6.222 8.970 2.808 1.00 0.00 C ATOM 1416 NE2 HIS A 86 -5.068 9.137 3.420 1.00 0.00 N ATOM 0 H HIS A 86 -6.046 4.699 4.135 1.00 0.00 H new ATOM 0 HA HIS A 86 -6.792 5.403 1.506 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.138 5.219 2.945 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -4.242 5.702 1.264 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.354 7.806 3.730 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -7.003 9.710 2.719 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -4.764 9.990 3.890 1.00 0.00 H new ATOM 1425 N TYR A 87 -5.356 2.486 1.861 1.00 0.00 N ATOM 1426 CA TYR A 87 -5.121 1.220 1.177 1.00 0.00 C ATOM 1427 C TYR A 87 -6.416 0.758 0.514 1.00 0.00 C ATOM 1428 O TYR A 87 -6.467 0.557 -0.698 1.00 0.00 O ATOM 1429 CB TYR A 87 -4.621 0.148 2.164 1.00 0.00 C ATOM 1430 CG TYR A 87 -4.190 -1.159 1.506 1.00 0.00 C ATOM 1431 CD1 TYR A 87 -5.114 -1.997 0.884 1.00 0.00 C ATOM 1432 CD2 TYR A 87 -2.856 -1.553 1.504 1.00 0.00 C ATOM 1433 CE1 TYR A 87 -4.722 -3.177 0.284 1.00 0.00 C ATOM 1434 CE2 TYR A 87 -2.459 -2.732 0.900 1.00 0.00 C ATOM 1435 CZ TYR A 87 -3.393 -3.538 0.294 1.00 0.00 C ATOM 1436 OH TYR A 87 -3.000 -4.707 -0.313 1.00 0.00 O ATOM 0 H TYR A 87 -5.214 2.454 2.871 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.352 1.366 0.419 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.780 0.553 2.726 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.412 -0.064 2.883 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.157 -1.718 0.871 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.117 -0.927 1.983 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.454 -3.814 -0.191 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.418 -3.019 0.904 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.031 -4.815 -0.218 1.00 0.00 H new ATOM 1446 N GLU A 88 -7.459 0.629 1.327 1.00 0.00 N ATOM 1447 CA GLU A 88 -8.761 0.135 0.883 1.00 0.00 C ATOM 1448 C GLU A 88 -9.240 0.897 -0.357 1.00 0.00 C ATOM 1449 O GLU A 88 -9.761 0.303 -1.301 1.00 0.00 O ATOM 1450 CB GLU A 88 -9.765 0.263 2.046 1.00 0.00 C ATOM 1451 CG GLU A 88 -11.096 -0.467 1.848 1.00 0.00 C ATOM 1452 CD GLU A 88 -12.056 0.262 0.922 1.00 0.00 C ATOM 1453 OE1 GLU A 88 -12.462 1.394 1.258 1.00 0.00 O ATOM 1454 OE2 GLU A 88 -12.409 -0.290 -0.143 1.00 0.00 O ATOM 0 H GLU A 88 -7.426 0.865 2.319 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.678 -0.914 0.599 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.294 -0.115 2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.971 1.321 2.211 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.900 -1.461 1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.574 -0.605 2.818 1.00 0.00 H new ATOM 1461 N ARG A 89 -9.034 2.207 -0.359 1.00 0.00 N ATOM 1462 CA ARG A 89 -9.452 3.046 -1.480 1.00 0.00 C ATOM 1463 C ARG A 89 -8.557 2.842 -2.706 1.00 0.00 C ATOM 1464 O ARG A 89 -9.040 2.495 -3.786 1.00 0.00 O ATOM 1465 CB ARG A 89 -9.443 4.527 -1.074 1.00 0.00 C ATOM 1466 CG ARG A 89 -10.507 4.910 -0.047 1.00 0.00 C ATOM 1467 CD ARG A 89 -11.925 4.793 -0.607 1.00 0.00 C ATOM 1468 NE ARG A 89 -12.380 3.404 -0.704 1.00 0.00 N ATOM 1469 CZ ARG A 89 -13.311 2.971 -1.558 1.00 0.00 C ATOM 1470 NH1 ARG A 89 -13.864 3.802 -2.434 1.00 0.00 N ATOM 1471 NH2 ARG A 89 -13.688 1.701 -1.530 1.00 0.00 N ATOM 0 H ARG A 89 -8.581 2.714 0.401 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.466 2.749 -1.747 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.461 4.774 -0.670 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -9.583 5.136 -1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -10.411 4.268 0.829 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -10.334 5.933 0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -12.610 5.352 0.030 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -11.961 5.253 -1.595 1.00 0.00 H new ATOM 0 HE ARG A 89 -11.957 2.721 -0.076 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.578 4.781 -2.459 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -14.574 3.461 -3.082 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.268 1.059 -0.858 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.399 1.366 -2.180 1.00 0.00 H new ATOM 1485 N ILE A 90 -7.255 3.049 -2.529 1.00 0.00 N ATOM 1486 CA ILE A 90 -6.316 3.105 -3.654 1.00 0.00 C ATOM 1487 C ILE A 90 -5.566 1.786 -3.859 1.00 0.00 C ATOM 1488 O ILE A 90 -5.514 1.259 -4.970 1.00 0.00 O ATOM 1489 CB ILE A 90 -5.283 4.249 -3.446 1.00 0.00 C ATOM 1490 CG1 ILE A 90 -5.992 5.615 -3.380 1.00 0.00 C ATOM 1491 CG2 ILE A 90 -4.221 4.243 -4.550 1.00 0.00 C ATOM 1492 CD1 ILE A 90 -6.750 5.981 -4.643 1.00 0.00 C ATOM 0 H ILE A 90 -6.822 3.182 -1.615 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.913 3.296 -4.546 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.778 4.076 -2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.687 5.612 -2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.251 6.388 -3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.513 5.054 -4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.691 3.290 -4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.702 4.381 -5.518 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.220 6.956 -4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.058 6.019 -5.484 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.517 5.231 -4.837 1.00 0.00 H new ATOM 1504 N VAL A 91 -4.995 1.253 -2.785 1.00 0.00 N ATOM 1505 CA VAL A 91 -4.046 0.143 -2.888 1.00 0.00 C ATOM 1506 C VAL A 91 -4.742 -1.226 -2.823 1.00 0.00 C ATOM 1507 O VAL A 91 -4.106 -2.259 -3.024 1.00 0.00 O ATOM 1508 CB VAL A 91 -2.962 0.238 -1.777 1.00 0.00 C ATOM 1509 CG1 VAL A 91 -1.817 -0.744 -2.027 1.00 0.00 C ATOM 1510 CG2 VAL A 91 -2.431 1.668 -1.661 1.00 0.00 C ATOM 0 H VAL A 91 -5.171 1.569 -1.831 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.569 0.227 -3.864 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.432 -0.035 -0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.077 -0.651 -1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.207 -1.762 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.349 -0.521 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.674 1.713 -0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.989 1.970 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.251 2.341 -1.411 1.00 0.00 H new ATOM 1520 N TYR A 92 -6.048 -1.242 -2.566 1.00 0.00 N ATOM 1521 CA TYR A 92 -6.780 -2.509 -2.458 1.00 0.00 C ATOM 1522 C TYR A 92 -6.742 -3.285 -3.790 1.00 0.00 C ATOM 1523 O TYR A 92 -6.483 -4.488 -3.791 1.00 0.00 O ATOM 1524 CB TYR A 92 -8.230 -2.286 -1.988 1.00 0.00 C ATOM 1525 CG TYR A 92 -8.795 -3.418 -1.135 1.00 0.00 C ATOM 1526 CD1 TYR A 92 -8.170 -4.662 -1.074 1.00 0.00 C ATOM 1527 CD2 TYR A 92 -9.948 -3.232 -0.378 1.00 0.00 C ATOM 1528 CE1 TYR A 92 -8.679 -5.680 -0.290 1.00 0.00 C ATOM 1529 CE2 TYR A 92 -10.460 -4.246 0.408 1.00 0.00 C ATOM 1530 CZ TYR A 92 -9.822 -5.467 0.448 1.00 0.00 C ATOM 1531 OH TYR A 92 -10.329 -6.477 1.233 1.00 0.00 O ATOM 0 H TYR A 92 -6.618 -0.407 -2.430 1.00 0.00 H new ATOM 0 HA TYR A 92 -6.280 -3.113 -1.701 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.276 -1.359 -1.417 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.867 -2.153 -2.863 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.272 -4.834 -1.649 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.452 -2.277 -0.406 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.182 -6.638 -0.256 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.356 -4.083 0.988 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.138 -6.163 1.688 1.00 0.00 H new ATOM 1541 N PRO A 93 -6.994 -2.625 -4.947 1.00 0.00 N ATOM 1542 CA PRO A 93 -6.818 -3.269 -6.260 1.00 0.00 C ATOM 1543 C PRO A 93 -5.393 -3.802 -6.440 1.00 0.00 C ATOM 1544 O PRO A 93 -5.164 -4.803 -7.128 1.00 0.00 O ATOM 1545 CB PRO A 93 -7.108 -2.139 -7.260 1.00 0.00 C ATOM 1546 CG PRO A 93 -7.976 -1.186 -6.511 1.00 0.00 C ATOM 1547 CD PRO A 93 -7.501 -1.241 -5.083 1.00 0.00 C ATOM 0 HA PRO A 93 -7.470 -4.133 -6.389 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.188 -1.659 -7.593 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.611 -2.517 -8.150 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.889 -0.177 -6.914 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.026 -1.470 -6.586 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.720 -0.506 -4.890 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.310 -1.038 -4.382 1.00 0.00 H new ATOM 1555 N TYR A 94 -4.438 -3.126 -5.800 1.00 0.00 N ATOM 1556 CA TYR A 94 -3.037 -3.529 -5.859 1.00 0.00 C ATOM 1557 C TYR A 94 -2.812 -4.831 -5.099 1.00 0.00 C ATOM 1558 O TYR A 94 -1.881 -5.572 -5.408 1.00 0.00 O ATOM 1559 CB TYR A 94 -2.126 -2.431 -5.306 1.00 0.00 C ATOM 1560 CG TYR A 94 -1.964 -1.232 -6.222 1.00 0.00 C ATOM 1561 CD1 TYR A 94 -2.885 -0.189 -6.226 1.00 0.00 C ATOM 1562 CD2 TYR A 94 -0.871 -1.137 -7.072 1.00 0.00 C ATOM 1563 CE1 TYR A 94 -2.719 0.907 -7.044 1.00 0.00 C ATOM 1564 CE2 TYR A 94 -0.697 -0.041 -7.887 1.00 0.00 C ATOM 1565 CZ TYR A 94 -1.622 0.979 -7.869 1.00 0.00 C ATOM 1566 OH TYR A 94 -1.441 2.079 -8.668 1.00 0.00 O ATOM 0 H TYR A 94 -4.612 -2.295 -5.234 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.784 -3.691 -6.907 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.525 -2.092 -4.350 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.143 -2.857 -5.108 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.746 -0.240 -5.576 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.145 -1.936 -7.095 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.447 1.705 -7.037 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.162 0.019 -8.538 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.920 1.827 -9.459 1.00 0.00 H new ATOM 1576 N GLU A 95 -3.657 -5.107 -4.103 1.00 0.00 N ATOM 1577 CA GLU A 95 -3.629 -6.400 -3.424 1.00 0.00 C ATOM 1578 C GLU A 95 -3.850 -7.497 -4.460 1.00 0.00 C ATOM 1579 O GLU A 95 -2.981 -8.332 -4.691 1.00 0.00 O ATOM 1580 CB GLU A 95 -4.711 -6.479 -2.330 1.00 0.00 C ATOM 1581 CG GLU A 95 -4.802 -7.839 -1.630 1.00 0.00 C ATOM 1582 CD GLU A 95 -3.650 -8.116 -0.664 1.00 0.00 C ATOM 1583 OE1 GLU A 95 -2.476 -8.027 -1.075 1.00 0.00 O ATOM 1584 OE2 GLU A 95 -3.925 -8.452 0.511 1.00 0.00 O ATOM 0 H GLU A 95 -4.362 -4.458 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.661 -6.528 -2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.512 -5.711 -1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.679 -6.247 -2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.743 -7.893 -1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.827 -8.625 -2.385 1.00 0.00 H new ATOM 1591 N MET A 96 -5.006 -7.444 -5.122 1.00 0.00 N ATOM 1592 CA MET A 96 -5.338 -8.394 -6.183 1.00 0.00 C ATOM 1593 C MET A 96 -4.192 -8.488 -7.189 1.00 0.00 C ATOM 1594 O MET A 96 -3.812 -9.576 -7.622 1.00 0.00 O ATOM 1595 CB MET A 96 -6.625 -7.966 -6.908 1.00 0.00 C ATOM 1596 CG MET A 96 -7.868 -7.961 -6.026 1.00 0.00 C ATOM 1597 SD MET A 96 -8.314 -9.609 -5.442 1.00 0.00 S ATOM 1598 CE MET A 96 -9.837 -9.257 -4.568 1.00 0.00 C ATOM 0 H MET A 96 -5.731 -6.750 -4.941 1.00 0.00 H new ATOM 0 HA MET A 96 -5.496 -9.371 -5.727 1.00 0.00 H new ATOM 0 HB2 MET A 96 -6.481 -6.967 -7.320 1.00 0.00 H new ATOM 0 HB3 MET A 96 -6.794 -8.637 -7.751 1.00 0.00 H new ATOM 0 HG2 MET A 96 -7.697 -7.310 -5.169 1.00 0.00 H new ATOM 0 HG3 MET A 96 -8.703 -7.540 -6.585 1.00 0.00 H new ATOM 0 HE1 MET A 96 -10.598 -9.982 -4.857 1.00 0.00 H new ATOM 0 HE2 MET A 96 -9.663 -9.321 -3.494 1.00 0.00 H new ATOM 0 HE3 MET A 96 -10.178 -8.253 -4.821 1.00 0.00 H new ATOM 1608 N TYR A 97 -3.639 -7.330 -7.533 1.00 0.00 N ATOM 1609 CA TYR A 97 -2.541 -7.233 -8.492 1.00 0.00 C ATOM 1610 C TYR A 97 -1.284 -7.977 -8.012 1.00 0.00 C ATOM 1611 O TYR A 97 -0.930 -9.033 -8.550 1.00 0.00 O ATOM 1612 CB TYR A 97 -2.235 -5.746 -8.744 1.00 0.00 C ATOM 1613 CG TYR A 97 -0.978 -5.467 -9.549 1.00 0.00 C ATOM 1614 CD1 TYR A 97 -0.739 -6.105 -10.763 1.00 0.00 C ATOM 1615 CD2 TYR A 97 -0.028 -4.559 -9.087 1.00 0.00 C ATOM 1616 CE1 TYR A 97 0.407 -5.846 -11.488 1.00 0.00 C ATOM 1617 CE2 TYR A 97 1.119 -4.297 -9.808 1.00 0.00 C ATOM 1618 CZ TYR A 97 1.333 -4.944 -11.008 1.00 0.00 C ATOM 1619 OH TYR A 97 2.478 -4.690 -11.728 1.00 0.00 O ATOM 0 H TYR A 97 -3.938 -6.431 -7.156 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.847 -7.713 -9.421 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.084 -5.301 -9.262 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.149 -5.242 -7.781 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.461 -6.813 -11.143 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.192 -4.051 -8.148 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.578 -6.349 -12.429 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.845 -3.590 -9.435 1.00 0.00 H new ATOM 0 HH TYR A 97 3.187 -4.391 -11.121 1.00 0.00 H new ATOM 1629 N GLN A 98 -0.627 -7.437 -6.991 1.00 0.00 N ATOM 1630 CA GLN A 98 0.663 -7.954 -6.549 1.00 0.00 C ATOM 1631 C GLN A 98 0.503 -9.303 -5.853 1.00 0.00 C ATOM 1632 O GLN A 98 1.267 -10.235 -6.113 1.00 0.00 O ATOM 1633 CB GLN A 98 1.363 -6.945 -5.629 1.00 0.00 C ATOM 1634 CG GLN A 98 2.824 -7.285 -5.350 1.00 0.00 C ATOM 1635 CD GLN A 98 3.558 -6.179 -4.613 1.00 0.00 C ATOM 1636 OE1 GLN A 98 3.222 -5.004 -4.741 1.00 0.00 O ATOM 1637 NE2 GLN A 98 4.583 -6.544 -3.858 1.00 0.00 N ATOM 0 H GLN A 98 -0.967 -6.640 -6.453 1.00 0.00 H new ATOM 0 HA GLN A 98 1.287 -8.104 -7.430 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.309 -5.955 -6.082 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.824 -6.893 -4.683 1.00 0.00 H new ATOM 0 HG2 GLN A 98 2.873 -8.201 -4.761 1.00 0.00 H new ATOM 0 HG3 GLN A 98 3.332 -7.485 -6.294 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.831 -7.530 -3.777 1.00 0.00 H new ATOM 0 HE22 GLN A 98 5.124 -5.839 -3.358 1.00 0.00 H new ATOM 1646 N SER A 99 -0.499 -9.416 -4.983 1.00 0.00 N ATOM 1647 CA SER A 99 -0.790 -10.686 -4.328 1.00 0.00 C ATOM 1648 C SER A 99 -1.206 -11.709 -5.381 1.00 0.00 C ATOM 1649 O SER A 99 -0.753 -12.851 -5.358 1.00 0.00 O ATOM 1650 CB SER A 99 -1.882 -10.518 -3.256 1.00 0.00 C ATOM 1651 OG SER A 99 -2.154 -11.738 -2.583 1.00 0.00 O ATOM 0 H SER A 99 -1.117 -8.649 -4.718 1.00 0.00 H new ATOM 0 HA SER A 99 0.107 -11.041 -3.820 1.00 0.00 H new ATOM 0 HB2 SER A 99 -1.568 -9.766 -2.532 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.795 -10.149 -3.723 1.00 0.00 H new ATOM 0 HG SER A 99 -1.414 -12.364 -2.728 1.00 0.00 H new ATOM 1657 N GLY A 100 -2.035 -11.283 -6.337 1.00 0.00 N ATOM 1658 CA GLY A 100 -2.444 -12.169 -7.413 1.00 0.00 C ATOM 1659 C GLY A 100 -1.272 -12.635 -8.257 1.00 0.00 C ATOM 1660 O GLY A 100 -1.311 -13.719 -8.843 1.00 0.00 O ATOM 0 H GLY A 100 -2.428 -10.343 -6.383 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.952 -13.036 -6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.164 -11.655 -8.049 1.00 0.00 H new ATOM 1664 N ALA A 101 -0.236 -11.806 -8.336 1.00 0.00 N ATOM 1665 CA ALA A 101 0.979 -12.155 -9.067 1.00 0.00 C ATOM 1666 C ALA A 101 1.836 -13.154 -8.284 1.00 0.00 C ATOM 1667 O ALA A 101 2.329 -14.138 -8.844 1.00 0.00 O ATOM 1668 CB ALA A 101 1.781 -10.899 -9.382 1.00 0.00 C ATOM 0 H ALA A 101 -0.213 -10.884 -7.901 1.00 0.00 H new ATOM 0 HA ALA A 101 0.684 -12.632 -10.001 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.685 -11.172 -9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.178 -10.226 -9.992 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.055 -10.399 -8.453 1.00 0.00 H new ATOM 1674 N ASN A 102 2.006 -12.902 -6.989 1.00 0.00 N ATOM 1675 CA ASN A 102 2.890 -13.716 -6.146 1.00 0.00 C ATOM 1676 C ASN A 102 2.154 -14.931 -5.572 1.00 0.00 C ATOM 1677 O ASN A 102 2.537 -16.077 -5.821 1.00 0.00 O ATOM 1678 CB ASN A 102 3.465 -12.873 -4.992 1.00 0.00 C ATOM 1679 CG ASN A 102 4.294 -11.684 -5.462 1.00 0.00 C ATOM 1680 OD1 ASN A 102 4.039 -11.103 -6.519 1.00 0.00 O ATOM 1681 ND2 ASN A 102 5.301 -11.317 -4.683 1.00 0.00 N ATOM 0 H ASN A 102 1.543 -12.139 -6.495 1.00 0.00 H new ATOM 0 HA ASN A 102 3.705 -14.071 -6.777 1.00 0.00 H new ATOM 0 HB2 ASN A 102 2.644 -12.511 -4.373 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.084 -13.510 -4.360 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.893 -10.531 -4.952 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.484 -11.820 -3.815 1.00 0.00 H new ATOM 1688 N LEU A 103 1.109 -14.662 -4.798 1.00 0.00 N ATOM 1689 CA LEU A 103 0.307 -15.695 -4.135 1.00 0.00 C ATOM 1690 C LEU A 103 -0.875 -15.021 -3.444 1.00 0.00 C ATOM 1691 O LEU A 103 -0.699 -13.984 -2.804 1.00 0.00 O ATOM 1692 CB LEU A 103 1.166 -16.505 -3.134 1.00 0.00 C ATOM 1693 CG LEU A 103 1.949 -15.692 -2.072 1.00 0.00 C ATOM 1694 CD1 LEU A 103 1.083 -15.365 -0.855 1.00 0.00 C ATOM 1695 CD2 LEU A 103 3.212 -16.439 -1.644 1.00 0.00 C ATOM 0 H LEU A 103 0.788 -13.713 -4.608 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.066 -16.405 -4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.512 -17.205 -2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.881 -17.100 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 103 2.239 -14.748 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.669 -14.795 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.221 -14.776 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.741 -16.291 -0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.747 -15.851 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.937 -17.404 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.854 -16.596 -2.511 1.00 0.00 H new ATOM 1707 N VAL A 104 -2.076 -15.579 -3.585 1.00 0.00 N ATOM 1708 CA VAL A 104 -3.277 -14.892 -3.116 1.00 0.00 C ATOM 1709 C VAL A 104 -4.387 -15.853 -2.689 1.00 0.00 C ATOM 1710 O VAL A 104 -4.757 -16.777 -3.421 1.00 0.00 O ATOM 1711 CB VAL A 104 -3.828 -13.931 -4.207 1.00 0.00 C ATOM 1712 CG1 VAL A 104 -4.206 -14.692 -5.478 1.00 0.00 C ATOM 1713 CG2 VAL A 104 -5.014 -13.123 -3.679 1.00 0.00 C ATOM 0 H VAL A 104 -2.242 -16.490 -4.013 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.972 -14.324 -2.237 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.032 -13.232 -4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.588 -13.992 -6.221 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.326 -15.198 -5.874 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.974 -15.429 -5.246 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -5.380 -12.459 -4.462 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -5.811 -13.802 -3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.697 -12.531 -2.820 1.00 0.00 H new ATOM 1723 N CYS A 105 -4.900 -15.625 -1.486 1.00 0.00 N ATOM 1724 CA CYS A 105 -6.143 -16.236 -1.017 1.00 0.00 C ATOM 1725 C CYS A 105 -7.020 -15.123 -0.447 1.00 0.00 C ATOM 1726 O CYS A 105 -8.058 -15.361 0.172 1.00 0.00 O ATOM 1727 CB CYS A 105 -5.855 -17.306 0.046 1.00 0.00 C ATOM 1728 SG CYS A 105 -7.315 -18.226 0.590 1.00 0.00 S ATOM 0 H CYS A 105 -4.464 -15.007 -0.802 1.00 0.00 H new ATOM 0 HA CYS A 105 -6.655 -16.733 -1.841 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -5.124 -18.010 -0.352 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -5.398 -16.827 0.912 1.00 0.00 H new ATOM 0 HG CYS A 105 -8.336 -17.424 0.648 1.00 0.00 H new ATOM 1734 N ASN A 106 -6.587 -13.895 -0.718 1.00 0.00 N ATOM 1735 CA ASN A 106 -7.136 -12.691 -0.100 1.00 0.00 C ATOM 1736 C ASN A 106 -8.370 -12.197 -0.852 1.00 0.00 C ATOM 1737 O ASN A 106 -8.995 -11.210 -0.460 1.00 0.00 O ATOM 1738 CB ASN A 106 -6.053 -11.598 -0.091 1.00 0.00 C ATOM 1739 CG ASN A 106 -4.711 -12.099 0.438 1.00 0.00 C ATOM 1740 OD1 ASN A 106 -4.399 -13.289 0.361 1.00 0.00 O ATOM 1741 ND2 ASN A 106 -3.894 -11.194 0.942 1.00 0.00 N ATOM 0 H ASN A 106 -5.836 -13.705 -1.381 1.00 0.00 H new ATOM 0 HA ASN A 106 -7.441 -12.926 0.920 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -5.920 -11.217 -1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -6.391 -10.763 0.522 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -2.973 -11.471 1.282 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -4.183 -10.217 0.991 1.00 0.00 H new ATOM 1748 N THR A 107 -8.724 -12.899 -1.922 1.00 0.00 N ATOM 1749 CA THR A 107 -9.846 -12.512 -2.769 1.00 0.00 C ATOM 1750 C THR A 107 -11.178 -12.655 -2.030 1.00 0.00 C ATOM 1751 O THR A 107 -12.082 -11.831 -2.185 1.00 0.00 O ATOM 1752 CB THR A 107 -9.874 -13.371 -4.054 1.00 0.00 C ATOM 1753 OG1 THR A 107 -9.847 -14.764 -3.703 1.00 0.00 O ATOM 1754 CG2 THR A 107 -8.691 -13.045 -4.962 1.00 0.00 C ATOM 0 H THR A 107 -8.245 -13.747 -2.226 1.00 0.00 H new ATOM 0 HA THR A 107 -9.709 -11.464 -3.036 1.00 0.00 H new ATOM 0 HB THR A 107 -10.791 -13.145 -4.597 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.867 -15.307 -4.518 1.00 0.00 H new ATOM 0 HG21 THR A 107 -8.738 -13.665 -5.857 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.729 -11.993 -5.246 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.760 -13.244 -4.432 1.00 0.00 H new ATOM 1762 N ARG A 108 -11.289 -13.701 -1.214 1.00 0.00 N ATOM 1763 CA ARG A 108 -12.530 -13.984 -0.501 1.00 0.00 C ATOM 1764 C ARG A 108 -12.722 -13.034 0.693 1.00 0.00 C ATOM 1765 O ARG A 108 -13.752 -12.371 0.778 1.00 0.00 O ATOM 1766 CB ARG A 108 -12.587 -15.451 -0.040 1.00 0.00 C ATOM 1767 CG ARG A 108 -12.291 -16.460 -1.143 1.00 0.00 C ATOM 1768 CD ARG A 108 -12.700 -17.870 -0.736 1.00 0.00 C ATOM 1769 NE ARG A 108 -14.160 -18.021 -0.698 1.00 0.00 N ATOM 1770 CZ ARG A 108 -14.848 -18.524 0.329 1.00 0.00 C ATOM 1771 NH1 ARG A 108 -14.232 -18.857 1.458 1.00 0.00 N ATOM 1772 NH2 ARG A 108 -16.165 -18.669 0.223 1.00 0.00 N ATOM 0 H ARG A 108 -10.536 -14.364 -1.031 1.00 0.00 H new ATOM 0 HA ARG A 108 -13.349 -13.815 -1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.872 -15.594 0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.577 -15.655 0.368 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.822 -16.174 -2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -11.227 -16.442 -1.377 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -12.278 -18.589 -1.438 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -12.284 -18.101 0.245 1.00 0.00 H new ATOM 0 HE ARG A 108 -14.687 -17.719 -1.517 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -13.224 -18.729 1.546 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -14.767 -19.241 2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -16.640 -18.397 -0.637 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -16.700 -19.052 1.002 1.00 0.00 H new ATOM 1786 N PRO A 109 -11.731 -12.927 1.619 1.00 0.00 N ATOM 1787 CA PRO A 109 -11.839 -12.061 2.818 1.00 0.00 C ATOM 1788 C PRO A 109 -12.313 -10.630 2.517 1.00 0.00 C ATOM 1789 O PRO A 109 -12.739 -9.907 3.423 1.00 0.00 O ATOM 1790 CB PRO A 109 -10.407 -12.043 3.359 1.00 0.00 C ATOM 1791 CG PRO A 109 -9.838 -13.354 2.946 1.00 0.00 C ATOM 1792 CD PRO A 109 -10.434 -13.646 1.596 1.00 0.00 C ATOM 0 HA PRO A 109 -12.586 -12.444 3.513 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -9.836 -11.213 2.943 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -10.393 -11.928 4.443 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -8.750 -13.310 2.893 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -10.091 -14.135 3.663 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.793 -13.289 0.790 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.573 -14.716 1.443 1.00 0.00 H new ATOM 1800 N PHE A 110 -12.229 -10.240 1.247 1.00 0.00 N ATOM 1801 CA PHE A 110 -12.678 -8.925 0.788 1.00 0.00 C ATOM 1802 C PHE A 110 -14.074 -8.609 1.351 1.00 0.00 C ATOM 1803 O PHE A 110 -14.283 -7.573 1.994 1.00 0.00 O ATOM 1804 CB PHE A 110 -12.699 -8.916 -0.754 1.00 0.00 C ATOM 1805 CG PHE A 110 -12.539 -7.554 -1.392 1.00 0.00 C ATOM 1806 CD1 PHE A 110 -13.509 -6.576 -1.243 1.00 0.00 C ATOM 1807 CD2 PHE A 110 -11.416 -7.262 -2.156 1.00 0.00 C ATOM 1808 CE1 PHE A 110 -13.364 -5.338 -1.840 1.00 0.00 C ATOM 1809 CE2 PHE A 110 -11.266 -6.024 -2.753 1.00 0.00 C ATOM 1810 CZ PHE A 110 -12.242 -5.061 -2.596 1.00 0.00 C ATOM 0 H PHE A 110 -11.847 -10.827 0.505 1.00 0.00 H new ATOM 0 HA PHE A 110 -11.992 -8.157 1.146 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -11.902 -9.565 -1.116 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -13.641 -9.349 -1.091 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -14.389 -6.784 -0.653 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -10.650 -8.012 -2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -14.129 -4.586 -1.715 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -10.386 -5.811 -3.342 1.00 0.00 H new ATOM 0 HZ PHE A 110 -12.129 -4.094 -3.063 1.00 0.00 H new ATOM 1820 N ASP A 111 -15.018 -9.535 1.142 1.00 0.00 N ATOM 1821 CA ASP A 111 -16.398 -9.345 1.597 1.00 0.00 C ATOM 1822 C ASP A 111 -16.459 -9.336 3.120 1.00 0.00 C ATOM 1823 O ASP A 111 -17.273 -8.629 3.710 1.00 0.00 O ATOM 1824 CB ASP A 111 -17.340 -10.434 1.043 1.00 0.00 C ATOM 1825 CG ASP A 111 -17.163 -11.795 1.712 1.00 0.00 C ATOM 1826 OD1 ASP A 111 -16.337 -12.594 1.231 1.00 0.00 O ATOM 1827 OD2 ASP A 111 -17.858 -12.077 2.714 1.00 0.00 O ATOM 0 H ASP A 111 -14.851 -10.420 0.662 1.00 0.00 H new ATOM 0 HA ASP A 111 -16.736 -8.382 1.214 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -18.372 -10.108 1.170 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -17.168 -10.540 -0.028 1.00 0.00 H new ATOM 1832 N ASN A 112 -15.587 -10.120 3.752 1.00 0.00 N ATOM 1833 CA ASN A 112 -15.538 -10.191 5.211 1.00 0.00 C ATOM 1834 C ASN A 112 -15.263 -8.812 5.799 1.00 0.00 C ATOM 1835 O ASN A 112 -15.912 -8.405 6.765 1.00 0.00 O ATOM 1836 CB ASN A 112 -14.468 -11.190 5.687 1.00 0.00 C ATOM 1837 CG ASN A 112 -14.846 -12.646 5.445 1.00 0.00 C ATOM 1838 OD1 ASN A 112 -13.990 -13.477 5.132 1.00 0.00 O ATOM 1839 ND2 ASN A 112 -16.120 -12.975 5.623 1.00 0.00 N ATOM 0 H ASN A 112 -14.906 -10.714 3.278 1.00 0.00 H new ATOM 0 HA ASN A 112 -16.509 -10.542 5.561 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -13.530 -10.977 5.175 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -14.291 -11.041 6.752 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -16.419 -13.943 5.501 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -16.800 -12.260 5.882 1.00 0.00 H new ATOM 1846 N GLU A 113 -14.314 -8.088 5.203 1.00 0.00 N ATOM 1847 CA GLU A 113 -13.980 -6.742 5.669 1.00 0.00 C ATOM 1848 C GLU A 113 -15.102 -5.764 5.333 1.00 0.00 C ATOM 1849 O GLU A 113 -15.510 -4.960 6.179 1.00 0.00 O ATOM 1850 CB GLU A 113 -12.660 -6.242 5.065 1.00 0.00 C ATOM 1851 CG GLU A 113 -12.231 -4.886 5.624 1.00 0.00 C ATOM 1852 CD GLU A 113 -10.998 -4.312 4.948 1.00 0.00 C ATOM 1853 OE1 GLU A 113 -9.872 -4.679 5.339 1.00 0.00 O ATOM 1854 OE2 GLU A 113 -11.153 -3.466 4.037 1.00 0.00 O ATOM 0 H GLU A 113 -13.767 -8.408 4.403 1.00 0.00 H new ATOM 0 HA GLU A 113 -13.859 -6.796 6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.876 -6.974 5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.766 -6.167 3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -13.055 -4.181 5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -12.036 -4.988 6.691 1.00 0.00 H new ATOM 1861 N GLU A 114 -15.597 -5.830 4.096 1.00 0.00 N ATOM 1862 CA GLU A 114 -16.685 -4.952 3.656 1.00 0.00 C ATOM 1863 C GLU A 114 -17.891 -5.082 4.586 1.00 0.00 C ATOM 1864 O GLU A 114 -18.513 -4.086 4.965 1.00 0.00 O ATOM 1865 CB GLU A 114 -17.114 -5.283 2.220 1.00 0.00 C ATOM 1866 CG GLU A 114 -16.023 -5.078 1.177 1.00 0.00 C ATOM 1867 CD GLU A 114 -16.515 -5.366 -0.232 1.00 0.00 C ATOM 1868 OE1 GLU A 114 -16.826 -6.540 -0.529 1.00 0.00 O ATOM 1869 OE2 GLU A 114 -16.604 -4.421 -1.049 1.00 0.00 O ATOM 0 H GLU A 114 -15.264 -6.479 3.383 1.00 0.00 H new ATOM 0 HA GLU A 114 -16.314 -3.928 3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -17.446 -6.321 2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -17.972 -4.664 1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -15.660 -4.052 1.231 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -15.178 -5.728 1.405 1.00 0.00 H new ATOM 1876 N LYS A 115 -18.204 -6.318 4.947 1.00 0.00 N ATOM 1877 CA LYS A 115 -19.348 -6.618 5.796 1.00 0.00 C ATOM 1878 C LYS A 115 -19.004 -6.398 7.272 1.00 0.00 C ATOM 1879 O LYS A 115 -19.311 -5.348 7.843 1.00 0.00 O ATOM 1880 CB LYS A 115 -19.800 -8.071 5.562 1.00 0.00 C ATOM 1881 CG LYS A 115 -20.317 -8.339 4.149 1.00 0.00 C ATOM 1882 CD LYS A 115 -20.451 -9.836 3.835 1.00 0.00 C ATOM 1883 CE LYS A 115 -21.460 -10.556 4.733 1.00 0.00 C ATOM 1884 NZ LYS A 115 -20.919 -10.843 6.091 1.00 0.00 N ATOM 0 H LYS A 115 -17.673 -7.140 4.660 1.00 0.00 H new ATOM 0 HA LYS A 115 -20.163 -5.943 5.536 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.963 -8.739 5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -20.584 -8.317 6.278 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -21.288 -7.859 4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -19.641 -7.881 3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -20.751 -9.956 2.794 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -19.476 -10.311 3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -22.358 -9.945 4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -21.758 -11.492 4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -21.142 -11.825 6.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -19.887 -10.711 6.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -21.350 -10.194 6.780 1.00 0.00 H new ATOM 1898 N ASP A 116 -18.319 -7.384 7.849 1.00 0.00 N ATOM 1899 CA ASP A 116 -18.011 -7.445 9.283 1.00 0.00 C ATOM 1900 C ASP A 116 -17.605 -8.871 9.606 1.00 0.00 C ATOM 1901 O ASP A 116 -16.579 -9.130 10.240 1.00 0.00 O ATOM 1902 CB ASP A 116 -19.226 -7.059 10.149 1.00 0.00 C ATOM 1903 CG ASP A 116 -18.967 -7.227 11.644 1.00 0.00 C ATOM 1904 OD1 ASP A 116 -18.360 -6.323 12.253 1.00 0.00 O ATOM 1905 OD2 ASP A 116 -19.383 -8.259 12.223 1.00 0.00 O ATOM 0 H ASP A 116 -17.954 -8.180 7.326 1.00 0.00 H new ATOM 0 HA ASP A 116 -17.212 -6.737 9.504 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -19.496 -6.023 9.946 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -20.080 -7.673 9.862 1.00 0.00 H new ATOM 1910 N LYS A 117 -18.443 -9.790 9.145 1.00 0.00 N ATOM 1911 CA LYS A 117 -18.209 -11.216 9.269 1.00 0.00 C ATOM 1912 C LYS A 117 -19.120 -11.946 8.283 1.00 0.00 C ATOM 1913 O LYS A 117 -20.297 -12.198 8.620 1.00 0.00 O ATOM 1914 CB LYS A 117 -18.464 -11.677 10.714 1.00 0.00 C ATOM 1915 CG LYS A 117 -18.264 -13.172 10.942 1.00 0.00 C ATOM 1916 CD LYS A 117 -18.514 -13.548 12.399 1.00 0.00 C ATOM 1917 CE LYS A 117 -18.375 -15.044 12.633 1.00 0.00 C ATOM 1918 NZ LYS A 117 -18.503 -15.388 14.074 1.00 0.00 N ATOM 1919 OXT LYS A 117 -18.672 -12.221 7.149 1.00 0.00 O ATOM 0 H LYS A 117 -19.315 -9.559 8.669 1.00 0.00 H new ATOM 0 HA LYS A 117 -17.170 -11.447 9.034 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -17.799 -11.128 11.381 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -19.484 -11.412 10.992 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -18.940 -13.734 10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -17.249 -13.453 10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -17.810 -13.014 13.037 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -19.514 -13.227 12.690 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -19.138 -15.574 12.063 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -17.407 -15.382 12.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -18.403 -16.416 14.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -17.760 -14.901 14.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -19.436 -15.088 14.421 1.00 0.00 H new TER 1933 LYS A 117