USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 862 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 44 GLN : amide:sc= -0.666! X(o=-0.9!,f=-1.2) USER MOD Set 1.2: A 47 MET CE :methyl 146:sc= -0.236 (180deg=-1.03) USER MOD Set 2.1: A 39 ASN : amide:sc= 0.62 K(o=0.47,f=-4.2!) USER MOD Set 2.2: A 42 GLN : amide:sc= -0.154 X(o=0.47,f=0.78) USER MOD Single : A 4 ASN : amide:sc= -1.76! C(o=-1.8!,f=-6.5!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot 180:sc= 0.0622 USER MOD Single : A 10 THR OG1 : rot -44:sc= 0.225 USER MOD Single : A 13 GLN : amide:sc= -1.78 K(o=-1.8,f=-0.4) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -1.39 USER MOD Single : A 33 THR OG1 : rot 9:sc= 0.856 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 130:sc= -1.18 USER MOD Single : A 53 GLN : amide:sc= -4.18! C(o=-4.2!,f=-3.8!) USER MOD Single : A 54 TYR OH : rot 100:sc= -0.023 USER MOD Single : A 60 ASN : amide:sc= 1.3 K(o=1.3,f=-4.8!) USER MOD Single : A 61 HIS : no HE2:sc= 1.04 K(o=1,f=-5.4!) USER MOD Single : A 69 LYS NZ :NH3+ -149:sc= 1.61 (180deg=0.966) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -10:sc= 1.28 USER MOD Single : A 79 GLN : amide:sc= -4.68! C(o=-4.7!,f=-5.4!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 83 ASN : amide:sc=-0.00123 X(o=-0.0012,f=-0.0012) USER MOD Single : A 86 GLN : amide:sc= -0.786 K(o=-0.79,f=0) USER MOD Single : A 88 TYR OH : rot 168:sc= 0.427 USER MOD Single : A 91 THR OG1 : rot 66:sc= 0.488 USER MOD Single : A 99 HIS : no HD1:sc= -0.0221 X(o=-0.022,f=-0.034) USER MOD Single : A 104 LYS NZ :NH3+ 170:sc= 1.1 (180deg=1.04) USER MOD Single : A 118 GLN : amide:sc= -0.731 K(o=-0.73,f=-3!) USER MOD Single : A 119 HIS : no HE2:sc= -1.46! C(o=-1.5!,f=-7.1!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ASN A 4 -8.626 9.483 -7.424 1.00 0.00 N ATOM 43 CA ASN A 4 -9.814 8.790 -6.929 1.00 0.00 C ATOM 44 C ASN A 4 -9.354 7.982 -5.742 1.00 0.00 C ATOM 45 O ASN A 4 -9.921 6.963 -5.380 1.00 0.00 O ATOM 46 CB ASN A 4 -10.475 7.857 -8.013 1.00 0.00 C ATOM 47 CG ASN A 4 -9.602 6.690 -8.517 1.00 0.00 C ATOM 48 OD1 ASN A 4 -10.109 5.582 -8.763 1.00 0.00 O ATOM 49 ND2 ASN A 4 -8.346 6.946 -8.811 1.00 0.00 N ATOM 0 HA ASN A 4 -10.586 9.513 -6.664 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -11.395 7.445 -7.598 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -10.758 8.470 -8.869 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.768 6.229 -9.249 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.949 7.862 -8.601 1.00 0.00 H new ATOM 56 N LYS A 5 -8.335 8.525 -5.104 1.00 0.00 N ATOM 57 CA LYS A 5 -7.647 7.889 -4.009 1.00 0.00 C ATOM 58 C LYS A 5 -8.504 7.899 -2.759 1.00 0.00 C ATOM 59 O LYS A 5 -8.822 8.957 -2.210 1.00 0.00 O ATOM 60 CB LYS A 5 -6.317 8.595 -3.764 1.00 0.00 C ATOM 61 CG LYS A 5 -5.345 8.495 -4.930 1.00 0.00 C ATOM 62 CD LYS A 5 -4.165 9.430 -4.741 1.00 0.00 C ATOM 63 CE LYS A 5 -3.160 9.303 -5.871 1.00 0.00 C ATOM 64 NZ LYS A 5 -2.151 10.376 -5.821 1.00 0.00 N ATOM 0 H LYS A 5 -7.958 9.442 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.452 6.848 -4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.508 9.647 -3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.849 8.171 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.989 7.469 -5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.861 8.739 -5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.521 10.459 -4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.675 9.210 -3.792 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.665 8.334 -5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.681 9.337 -6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.480 10.259 -6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.622 11.300 -5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.638 10.328 -4.918 1.00 0.00 H new ATOM 78 N VAL A 6 -8.889 6.735 -2.338 1.00 0.00 N ATOM 79 CA VAL A 6 -9.731 6.568 -1.190 1.00 0.00 C ATOM 80 C VAL A 6 -8.906 6.414 0.086 1.00 0.00 C ATOM 81 O VAL A 6 -8.091 5.522 0.184 1.00 0.00 O ATOM 82 CB VAL A 6 -10.623 5.312 -1.353 1.00 0.00 C ATOM 83 CG1 VAL A 6 -11.610 5.160 -0.204 1.00 0.00 C ATOM 84 CG2 VAL A 6 -11.345 5.310 -2.685 1.00 0.00 C ATOM 0 H VAL A 6 -8.624 5.859 -2.788 1.00 0.00 H new ATOM 0 HA VAL A 6 -10.351 7.461 -1.111 1.00 0.00 H new ATOM 0 HB VAL A 6 -9.956 4.450 -1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -12.215 4.267 -0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.064 5.070 0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.259 6.035 -0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -11.961 4.414 -2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -11.979 6.194 -2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -10.615 5.321 -3.494 1.00 0.00 H new ATOM 94 N CYS A 7 -9.088 7.323 1.003 1.00 0.00 N ATOM 95 CA CYS A 7 -8.582 7.205 2.362 1.00 0.00 C ATOM 96 C CYS A 7 -9.782 6.732 3.182 1.00 0.00 C ATOM 97 O CYS A 7 -10.882 6.737 2.614 1.00 0.00 O ATOM 98 CB CYS A 7 -8.025 8.548 2.862 1.00 0.00 C ATOM 99 SG CYS A 7 -9.168 9.934 2.716 1.00 0.00 S ATOM 0 H CYS A 7 -9.601 8.188 0.833 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.748 6.507 2.440 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.737 8.440 3.908 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.118 8.781 2.304 1.00 0.00 H new ATOM 0 HG CYS A 7 -8.601 11.014 3.166 1.00 0.00 H new ATOM 105 N GLY A 8 -9.586 6.310 4.464 1.00 0.00 N ATOM 106 CA GLY A 8 -10.642 5.676 5.280 1.00 0.00 C ATOM 107 C GLY A 8 -12.041 6.137 5.016 1.00 0.00 C ATOM 108 O GLY A 8 -12.439 7.245 5.396 1.00 0.00 O ATOM 0 H GLY A 8 -8.694 6.403 4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.599 4.599 5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.415 5.851 6.332 1.00 0.00 H new ATOM 112 N LEU A 9 -12.776 5.275 4.371 1.00 0.00 N ATOM 113 CA LEU A 9 -14.097 5.548 3.950 1.00 0.00 C ATOM 114 C LEU A 9 -14.901 4.292 4.225 1.00 0.00 C ATOM 115 O LEU A 9 -14.455 3.195 3.898 1.00 0.00 O ATOM 116 CB LEU A 9 -14.075 5.851 2.443 1.00 0.00 C ATOM 117 CG LEU A 9 -14.999 6.960 1.948 1.00 0.00 C ATOM 118 CD1 LEU A 9 -16.428 6.678 2.295 1.00 0.00 C ATOM 119 CD2 LEU A 9 -14.567 8.305 2.501 1.00 0.00 C ATOM 0 H LEU A 9 -12.452 4.340 4.123 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.531 6.402 4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.054 6.111 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.328 4.935 1.909 1.00 0.00 H new ATOM 0 HG LEU A 9 -14.923 6.994 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -17.058 7.488 1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.736 5.740 1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -16.531 6.600 3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.239 9.081 2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.601 8.279 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.550 8.523 2.175 1.00 0.00 H new ATOM 131 N THR A 10 -16.059 4.431 4.798 1.00 0.00 N ATOM 132 CA THR A 10 -16.810 3.255 5.190 1.00 0.00 C ATOM 133 C THR A 10 -18.268 3.403 4.751 1.00 0.00 C ATOM 134 O THR A 10 -19.157 2.644 5.139 1.00 0.00 O ATOM 135 CB THR A 10 -16.675 3.020 6.737 1.00 0.00 C ATOM 136 OG1 THR A 10 -17.228 1.750 7.127 1.00 0.00 O ATOM 137 CG2 THR A 10 -17.346 4.139 7.535 1.00 0.00 C ATOM 0 H THR A 10 -16.506 5.324 5.005 1.00 0.00 H new ATOM 0 HA THR A 10 -16.405 2.374 4.693 1.00 0.00 H new ATOM 0 HB THR A 10 -15.609 3.021 6.963 1.00 0.00 H new ATOM 0 HG1 THR A 10 -18.085 1.613 6.672 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.233 3.944 8.601 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.878 5.092 7.289 1.00 0.00 H new ATOM 0 HG23 THR A 10 -18.406 4.180 7.284 1.00 0.00 H new ATOM 145 N ARG A 11 -18.479 4.355 3.890 1.00 0.00 N ATOM 146 CA ARG A 11 -19.781 4.647 3.380 1.00 0.00 C ATOM 147 C ARG A 11 -19.825 4.161 1.942 1.00 0.00 C ATOM 148 O ARG A 11 -19.132 4.708 1.095 1.00 0.00 O ATOM 149 CB ARG A 11 -19.997 6.139 3.383 1.00 0.00 C ATOM 150 CG ARG A 11 -19.707 6.836 4.676 1.00 0.00 C ATOM 151 CD ARG A 11 -19.771 8.329 4.465 1.00 0.00 C ATOM 152 NE ARG A 11 -19.307 9.086 5.613 1.00 0.00 N ATOM 153 CZ ARG A 11 -18.687 10.274 5.534 1.00 0.00 C ATOM 154 NH1 ARG A 11 -18.426 10.833 4.338 1.00 0.00 N ATOM 155 NH2 ARG A 11 -18.303 10.888 6.642 1.00 0.00 N ATOM 0 H ARG A 11 -17.742 4.955 3.520 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.546 4.165 3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.372 6.579 2.606 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -21.033 6.338 3.109 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -20.429 6.533 5.435 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -18.721 6.551 5.042 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -19.169 8.593 3.596 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -20.799 8.615 4.240 1.00 0.00 H new ATOM 0 HE ARG A 11 -19.462 8.690 6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -18.700 10.354 3.480 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -17.954 11.736 4.289 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -18.479 10.458 7.550 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -17.831 11.791 6.588 1.00 0.00 H new ATOM 169 N GLY A 12 -20.607 3.147 1.687 1.00 0.00 N ATOM 170 CA GLY A 12 -20.740 2.540 0.365 1.00 0.00 C ATOM 171 C GLY A 12 -21.104 3.523 -0.730 1.00 0.00 C ATOM 172 O GLY A 12 -20.582 3.467 -1.852 1.00 0.00 O ATOM 0 H GLY A 12 -21.187 2.701 2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -19.801 2.052 0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -21.502 1.762 0.409 1.00 0.00 H new ATOM 176 N GLN A 13 -21.971 4.422 -0.385 1.00 0.00 N ATOM 177 CA GLN A 13 -22.524 5.393 -1.298 1.00 0.00 C ATOM 178 C GLN A 13 -21.575 6.566 -1.490 1.00 0.00 C ATOM 179 O GLN A 13 -21.660 7.310 -2.459 1.00 0.00 O ATOM 180 CB GLN A 13 -23.918 5.841 -0.825 1.00 0.00 C ATOM 181 CG GLN A 13 -25.058 4.824 -1.094 1.00 0.00 C ATOM 182 CD GLN A 13 -24.916 3.427 -0.446 1.00 0.00 C ATOM 183 OE1 GLN A 13 -25.388 2.436 -1.000 1.00 0.00 O ATOM 184 NE2 GLN A 13 -24.297 3.326 0.707 1.00 0.00 N ATOM 0 H GLN A 13 -22.329 4.510 0.566 1.00 0.00 H new ATOM 0 HA GLN A 13 -22.646 4.925 -2.275 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -23.875 6.042 0.246 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -24.167 6.782 -1.316 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -25.994 5.264 -0.750 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -25.146 4.691 -2.172 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -23.911 4.158 1.153 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -24.202 2.415 1.157 1.00 0.00 H new ATOM 193 N ASP A 14 -20.676 6.710 -0.571 1.00 0.00 N ATOM 194 CA ASP A 14 -19.667 7.751 -0.629 1.00 0.00 C ATOM 195 C ASP A 14 -18.488 7.204 -1.420 1.00 0.00 C ATOM 196 O ASP A 14 -17.977 7.838 -2.335 1.00 0.00 O ATOM 197 CB ASP A 14 -19.212 8.057 0.782 1.00 0.00 C ATOM 198 CG ASP A 14 -18.393 9.336 0.937 1.00 0.00 C ATOM 199 OD1 ASP A 14 -17.285 9.440 0.383 1.00 0.00 O ATOM 200 OD2 ASP A 14 -18.841 10.234 1.684 1.00 0.00 O ATOM 0 H ASP A 14 -20.609 6.111 0.252 1.00 0.00 H new ATOM 0 HA ASP A 14 -20.059 8.654 -1.096 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -20.091 8.127 1.423 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.619 7.218 1.145 1.00 0.00 H new ATOM 205 N ALA A 15 -18.112 5.977 -1.076 1.00 0.00 N ATOM 206 CA ALA A 15 -16.992 5.252 -1.675 1.00 0.00 C ATOM 207 C ALA A 15 -17.178 5.087 -3.180 1.00 0.00 C ATOM 208 O ALA A 15 -16.215 5.167 -3.956 1.00 0.00 O ATOM 209 CB ALA A 15 -16.859 3.886 -1.003 1.00 0.00 C ATOM 0 H ALA A 15 -18.591 5.442 -0.352 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.080 5.829 -1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.025 3.342 -1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.678 4.021 0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.779 3.319 -1.146 1.00 0.00 H new ATOM 215 N LYS A 16 -18.425 4.909 -3.595 1.00 0.00 N ATOM 216 CA LYS A 16 -18.746 4.738 -4.997 1.00 0.00 C ATOM 217 C LYS A 16 -18.383 5.946 -5.833 1.00 0.00 C ATOM 218 O LYS A 16 -18.212 5.818 -7.004 1.00 0.00 O ATOM 219 CB LYS A 16 -20.187 4.219 -5.244 1.00 0.00 C ATOM 220 CG LYS A 16 -21.342 5.114 -4.780 1.00 0.00 C ATOM 221 CD LYS A 16 -21.754 6.184 -5.803 1.00 0.00 C ATOM 222 CE LYS A 16 -22.321 5.552 -7.079 1.00 0.00 C ATOM 223 NZ LYS A 16 -22.923 6.550 -7.986 1.00 0.00 N ATOM 0 H LYS A 16 -19.232 4.880 -2.972 1.00 0.00 H new ATOM 0 HA LYS A 16 -18.100 3.934 -5.351 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -20.304 4.043 -6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -20.288 3.253 -4.749 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -22.206 4.488 -4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -21.056 5.606 -3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -22.500 6.844 -5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -20.891 6.801 -6.054 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.525 5.023 -7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -23.073 4.810 -6.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -23.291 6.072 -8.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -23.701 7.038 -7.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -22.201 7.244 -8.267 1.00 0.00 H new ATOM 237 N ALA A 17 -18.270 7.120 -5.214 1.00 0.00 N ATOM 238 CA ALA A 17 -17.887 8.340 -5.928 1.00 0.00 C ATOM 239 C ALA A 17 -16.461 8.233 -6.510 1.00 0.00 C ATOM 240 O ALA A 17 -16.164 8.811 -7.552 1.00 0.00 O ATOM 241 CB ALA A 17 -18.005 9.557 -5.024 1.00 0.00 C ATOM 0 H ALA A 17 -18.438 7.254 -4.217 1.00 0.00 H new ATOM 0 HA ALA A 17 -18.578 8.461 -6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -17.715 10.450 -5.577 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -19.036 9.659 -4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.349 9.435 -4.162 1.00 0.00 H new ATOM 247 N ALA A 18 -15.595 7.473 -5.853 1.00 0.00 N ATOM 248 CA ALA A 18 -14.230 7.281 -6.337 1.00 0.00 C ATOM 249 C ALA A 18 -14.228 6.238 -7.458 1.00 0.00 C ATOM 250 O ALA A 18 -13.493 6.333 -8.446 1.00 0.00 O ATOM 251 CB ALA A 18 -13.344 6.859 -5.196 1.00 0.00 C ATOM 0 H ALA A 18 -15.810 6.980 -4.986 1.00 0.00 H new ATOM 0 HA ALA A 18 -13.842 8.217 -6.740 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -12.326 6.716 -5.559 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.350 7.631 -4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.713 5.924 -4.775 1.00 0.00 H new ATOM 257 N TYR A 19 -15.083 5.259 -7.312 1.00 0.00 N ATOM 258 CA TYR A 19 -15.289 4.252 -8.321 1.00 0.00 C ATOM 259 C TYR A 19 -16.009 4.867 -9.524 1.00 0.00 C ATOM 260 O TYR A 19 -15.784 4.488 -10.669 1.00 0.00 O ATOM 261 CB TYR A 19 -16.014 3.060 -7.682 1.00 0.00 C ATOM 262 CG TYR A 19 -17.004 2.315 -8.534 1.00 0.00 C ATOM 263 CD1 TYR A 19 -16.589 1.329 -9.398 1.00 0.00 C ATOM 264 CD2 TYR A 19 -18.359 2.592 -8.457 1.00 0.00 C ATOM 265 CE1 TYR A 19 -17.483 0.633 -10.176 1.00 0.00 C ATOM 266 CE2 TYR A 19 -19.270 1.899 -9.226 1.00 0.00 C ATOM 267 CZ TYR A 19 -18.823 0.918 -10.088 1.00 0.00 C ATOM 268 OH TYR A 19 -19.722 0.209 -10.855 1.00 0.00 O ATOM 0 H TYR A 19 -15.662 5.137 -6.481 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.346 3.870 -8.712 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -15.260 2.350 -7.342 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.536 3.419 -6.795 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.537 1.096 -9.467 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.707 3.362 -7.785 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.134 -0.133 -10.852 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.324 2.122 -9.154 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.630 0.531 -10.676 1.00 0.00 H new ATOM 278 N ASP A 20 -16.825 5.847 -9.232 1.00 0.00 N ATOM 279 CA ASP A 20 -17.510 6.665 -10.236 1.00 0.00 C ATOM 280 C ASP A 20 -16.481 7.474 -11.003 1.00 0.00 C ATOM 281 O ASP A 20 -16.597 7.666 -12.201 1.00 0.00 O ATOM 282 CB ASP A 20 -18.496 7.621 -9.546 1.00 0.00 C ATOM 283 CG ASP A 20 -19.282 8.497 -10.498 1.00 0.00 C ATOM 284 OD1 ASP A 20 -18.788 9.554 -10.903 1.00 0.00 O ATOM 285 OD2 ASP A 20 -20.449 8.162 -10.799 1.00 0.00 O ATOM 0 H ASP A 20 -17.046 6.115 -8.273 1.00 0.00 H new ATOM 0 HA ASP A 20 -18.058 6.016 -10.919 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -19.195 7.035 -8.949 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.943 8.259 -8.856 1.00 0.00 H new ATOM 290 N ALA A 21 -15.433 7.898 -10.293 1.00 0.00 N ATOM 291 CA ALA A 21 -14.370 8.698 -10.888 1.00 0.00 C ATOM 292 C ALA A 21 -13.551 7.877 -11.872 1.00 0.00 C ATOM 293 O ALA A 21 -12.926 8.428 -12.781 1.00 0.00 O ATOM 294 CB ALA A 21 -13.465 9.278 -9.814 1.00 0.00 C ATOM 0 H ALA A 21 -15.301 7.697 -9.302 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.840 9.518 -11.431 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.679 9.871 -10.282 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.051 9.912 -9.148 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.015 8.467 -9.241 1.00 0.00 H new ATOM 300 N GLY A 22 -13.550 6.566 -11.704 1.00 0.00 N ATOM 301 CA GLY A 22 -12.883 5.745 -12.654 1.00 0.00 C ATOM 302 C GLY A 22 -12.729 4.328 -12.208 1.00 0.00 C ATOM 303 O GLY A 22 -12.525 3.452 -13.051 1.00 0.00 O ATOM 0 H GLY A 22 -13.997 6.072 -10.932 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.437 5.765 -13.593 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.897 6.164 -12.857 1.00 0.00 H new ATOM 307 N ALA A 23 -12.823 4.082 -10.870 1.00 0.00 N ATOM 308 CA ALA A 23 -12.626 2.735 -10.292 1.00 0.00 C ATOM 309 C ALA A 23 -11.201 2.309 -10.524 1.00 0.00 C ATOM 310 O ALA A 23 -10.870 1.119 -10.523 1.00 0.00 O ATOM 311 CB ALA A 23 -13.595 1.723 -10.895 1.00 0.00 C ATOM 0 H ALA A 23 -13.034 4.802 -10.179 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.829 2.776 -9.222 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.423 0.744 -10.448 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.620 2.038 -10.697 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.436 1.664 -11.972 1.00 0.00 H new ATOM 317 N ILE A 24 -10.363 3.315 -10.633 1.00 0.00 N ATOM 318 CA ILE A 24 -8.995 3.172 -11.009 1.00 0.00 C ATOM 319 C ILE A 24 -8.248 2.445 -9.936 1.00 0.00 C ATOM 320 O ILE A 24 -7.796 1.319 -10.138 1.00 0.00 O ATOM 321 CB ILE A 24 -8.348 4.566 -11.234 1.00 0.00 C ATOM 322 CG1 ILE A 24 -9.245 5.436 -12.142 1.00 0.00 C ATOM 323 CG2 ILE A 24 -6.942 4.423 -11.829 1.00 0.00 C ATOM 324 CD1 ILE A 24 -8.743 6.855 -12.336 1.00 0.00 C ATOM 0 H ILE A 24 -10.634 4.282 -10.454 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.947 2.603 -11.938 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.255 5.063 -10.268 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.330 4.956 -13.117 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.248 5.472 -11.716 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.508 5.412 -11.978 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.314 3.850 -11.146 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.003 3.905 -12.786 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.429 7.398 -12.986 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.685 7.356 -11.370 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.753 6.832 -12.792 1.00 0.00 H new ATOM 336 N TYR A 25 -8.169 3.069 -8.791 1.00 0.00 N ATOM 337 CA TYR A 25 -7.436 2.554 -7.665 1.00 0.00 C ATOM 338 C TYR A 25 -7.615 3.509 -6.484 1.00 0.00 C ATOM 339 O TYR A 25 -7.866 4.695 -6.679 1.00 0.00 O ATOM 340 CB TYR A 25 -5.932 2.344 -8.036 1.00 0.00 C ATOM 341 CG TYR A 25 -5.011 3.364 -7.495 1.00 0.00 C ATOM 342 CD1 TYR A 25 -4.753 4.549 -8.160 1.00 0.00 C ATOM 343 CD2 TYR A 25 -4.433 3.149 -6.283 1.00 0.00 C ATOM 344 CE1 TYR A 25 -3.921 5.488 -7.605 1.00 0.00 C ATOM 345 CE2 TYR A 25 -3.626 4.061 -5.721 1.00 0.00 C ATOM 346 CZ TYR A 25 -3.355 5.239 -6.373 1.00 0.00 C ATOM 347 OH TYR A 25 -2.524 6.171 -5.790 1.00 0.00 O ATOM 0 H TYR A 25 -8.620 3.966 -8.611 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.823 1.576 -7.379 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.617 1.364 -7.677 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.839 2.330 -9.122 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.209 4.736 -9.121 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.628 2.224 -5.762 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.712 6.410 -8.127 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.188 3.868 -4.753 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.213 5.835 -4.923 1.00 0.00 H new ATOM 357 N GLY A 26 -7.476 3.001 -5.296 1.00 0.00 N ATOM 358 CA GLY A 26 -7.581 3.797 -4.119 1.00 0.00 C ATOM 359 C GLY A 26 -6.402 3.519 -3.228 1.00 0.00 C ATOM 360 O GLY A 26 -5.997 2.359 -3.082 1.00 0.00 O ATOM 0 H GLY A 26 -7.285 2.015 -5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.612 4.854 -4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.510 3.572 -3.595 1.00 0.00 H new ATOM 364 N GLY A 27 -5.840 4.552 -2.655 1.00 0.00 N ATOM 365 CA GLY A 27 -4.667 4.394 -1.843 1.00 0.00 C ATOM 366 C GLY A 27 -4.965 4.572 -0.388 1.00 0.00 C ATOM 367 O GLY A 27 -4.725 5.640 0.173 1.00 0.00 O ATOM 0 H GLY A 27 -6.178 5.511 -2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.243 3.404 -2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.913 5.119 -2.150 1.00 0.00 H new ATOM 371 N LEU A 28 -5.479 3.545 0.223 1.00 0.00 N ATOM 372 CA LEU A 28 -5.795 3.582 1.602 1.00 0.00 C ATOM 373 C LEU A 28 -4.790 2.816 2.377 1.00 0.00 C ATOM 374 O LEU A 28 -4.168 1.882 1.877 1.00 0.00 O ATOM 375 CB LEU A 28 -7.276 3.181 1.961 1.00 0.00 C ATOM 376 CG LEU A 28 -7.945 1.912 1.334 1.00 0.00 C ATOM 377 CD1 LEU A 28 -8.200 2.075 -0.154 1.00 0.00 C ATOM 378 CD2 LEU A 28 -7.154 0.638 1.612 1.00 0.00 C ATOM 0 H LEU A 28 -5.688 2.657 -0.233 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.744 4.630 1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.321 3.063 3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.907 4.033 1.707 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.912 1.809 1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.665 1.170 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.864 2.924 -0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.255 2.248 -0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.661 -0.212 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.153 0.732 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.082 0.482 2.688 1.00 0.00 H new ATOM 390 N ILE A 29 -4.593 3.224 3.561 1.00 0.00 N ATOM 391 CA ILE A 29 -3.630 2.575 4.388 1.00 0.00 C ATOM 392 C ILE A 29 -4.192 1.724 5.446 1.00 0.00 C ATOM 393 O ILE A 29 -5.272 1.985 5.970 1.00 0.00 O ATOM 394 CB ILE A 29 -2.520 3.468 4.895 1.00 0.00 C ATOM 395 CG1 ILE A 29 -3.047 4.846 5.347 1.00 0.00 C ATOM 396 CG2 ILE A 29 -1.495 3.560 3.815 1.00 0.00 C ATOM 397 CD1 ILE A 29 -1.982 5.761 5.930 1.00 0.00 C ATOM 0 H ILE A 29 -5.081 4.007 3.995 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.153 1.888 3.689 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.066 3.043 5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.510 5.343 4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.829 4.697 6.092 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.675 4.198 4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.112 2.564 3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.948 3.985 2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.436 6.708 6.222 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.535 5.288 6.804 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.211 5.944 5.182 1.00 0.00 H new ATOM 409 N PHE A 30 -3.417 0.734 5.791 1.00 0.00 N ATOM 410 CA PHE A 30 -3.848 -0.319 6.708 1.00 0.00 C ATOM 411 C PHE A 30 -3.770 0.101 8.172 1.00 0.00 C ATOM 412 O PHE A 30 -3.034 -0.520 8.953 1.00 0.00 O ATOM 413 CB PHE A 30 -3.000 -1.598 6.553 1.00 0.00 C ATOM 414 CG PHE A 30 -2.938 -2.210 5.190 1.00 0.00 C ATOM 415 CD1 PHE A 30 -3.996 -2.954 4.682 1.00 0.00 C ATOM 416 CD2 PHE A 30 -1.798 -2.066 4.429 1.00 0.00 C ATOM 417 CE1 PHE A 30 -3.903 -3.534 3.430 1.00 0.00 C ATOM 418 CE2 PHE A 30 -1.701 -2.643 3.192 1.00 0.00 C ATOM 419 CZ PHE A 30 -2.751 -3.376 2.688 1.00 0.00 C ATOM 0 H PHE A 30 -2.462 0.622 5.450 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.886 -0.512 6.439 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.982 -1.370 6.869 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.387 -2.347 7.243 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.895 -3.080 5.267 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.970 -1.490 4.814 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.728 -4.108 3.035 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.799 -2.523 2.610 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.673 -3.828 1.710 1.00 0.00 H new ATOM 429 N VAL A 31 -4.481 1.126 8.575 1.00 0.00 N ATOM 430 CA VAL A 31 -4.480 1.417 9.970 1.00 0.00 C ATOM 431 C VAL A 31 -5.713 0.802 10.558 1.00 0.00 C ATOM 432 O VAL A 31 -6.842 1.205 10.233 1.00 0.00 O ATOM 433 CB VAL A 31 -4.381 2.907 10.326 1.00 0.00 C ATOM 434 CG1 VAL A 31 -4.321 3.045 11.835 1.00 0.00 C ATOM 435 CG2 VAL A 31 -3.140 3.522 9.691 1.00 0.00 C ATOM 0 H VAL A 31 -5.040 1.741 7.983 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.571 0.991 10.394 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.255 3.434 9.943 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.250 4.100 12.101 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.222 2.619 12.275 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.447 2.516 12.214 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.083 4.579 9.952 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.251 3.009 10.058 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.197 3.419 8.607 1.00 0.00 H new ATOM 445 N ALA A 32 -5.490 -0.174 11.396 1.00 0.00 N ATOM 446 CA ALA A 32 -6.530 -0.990 11.936 1.00 0.00 C ATOM 447 C ALA A 32 -7.488 -0.189 12.760 1.00 0.00 C ATOM 448 O ALA A 32 -7.104 0.466 13.740 1.00 0.00 O ATOM 449 CB ALA A 32 -5.962 -2.142 12.741 1.00 0.00 C ATOM 0 H ALA A 32 -4.558 -0.425 11.726 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.084 -1.405 11.094 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.778 -2.745 13.139 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.334 -2.760 12.099 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.365 -1.751 13.565 1.00 0.00 H new ATOM 455 N THR A 33 -8.715 -0.195 12.307 1.00 0.00 N ATOM 456 CA THR A 33 -9.861 0.416 12.961 1.00 0.00 C ATOM 457 C THR A 33 -9.740 1.942 13.076 1.00 0.00 C ATOM 458 O THR A 33 -10.276 2.562 14.003 1.00 0.00 O ATOM 459 CB THR A 33 -10.220 -0.262 14.338 1.00 0.00 C ATOM 460 OG1 THR A 33 -9.107 -0.235 15.271 1.00 0.00 O ATOM 461 CG2 THR A 33 -10.639 -1.709 14.116 1.00 0.00 C ATOM 0 H THR A 33 -8.963 -0.648 11.427 1.00 0.00 H new ATOM 0 HA THR A 33 -10.707 0.226 12.301 1.00 0.00 H new ATOM 0 HB THR A 33 -11.041 0.311 14.769 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.394 0.335 14.913 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.885 -2.168 15.074 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.512 -1.739 13.465 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.820 -2.258 13.650 1.00 0.00 H new ATOM 469 N SER A 34 -9.052 2.540 12.136 1.00 0.00 N ATOM 470 CA SER A 34 -8.983 3.962 12.062 1.00 0.00 C ATOM 471 C SER A 34 -9.967 4.401 11.006 1.00 0.00 C ATOM 472 O SER A 34 -9.917 3.913 9.907 1.00 0.00 O ATOM 473 CB SER A 34 -7.570 4.410 11.686 1.00 0.00 C ATOM 474 OG SER A 34 -7.459 5.832 11.638 1.00 0.00 O ATOM 0 H SER A 34 -8.530 2.051 11.409 1.00 0.00 H new ATOM 0 HA SER A 34 -9.224 4.408 13.027 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.859 4.014 12.411 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.302 3.992 10.716 1.00 0.00 H new ATOM 0 HG SER A 34 -6.542 6.081 11.396 1.00 0.00 H new ATOM 480 N PRO A 35 -10.870 5.334 11.311 1.00 0.00 N ATOM 481 CA PRO A 35 -11.871 5.812 10.346 1.00 0.00 C ATOM 482 C PRO A 35 -11.280 6.846 9.383 1.00 0.00 C ATOM 483 O PRO A 35 -11.994 7.631 8.760 1.00 0.00 O ATOM 484 CB PRO A 35 -12.917 6.456 11.239 1.00 0.00 C ATOM 485 CG PRO A 35 -12.159 6.942 12.428 1.00 0.00 C ATOM 486 CD PRO A 35 -11.008 5.998 12.622 1.00 0.00 C ATOM 0 HA PRO A 35 -12.260 5.015 9.712 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.421 7.277 10.729 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.686 5.739 11.527 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.802 7.960 12.270 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.797 6.961 13.312 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.097 6.529 12.899 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.211 5.278 13.415 1.00 0.00 H new ATOM 494 N ARG A 36 -9.974 6.848 9.309 1.00 0.00 N ATOM 495 CA ARG A 36 -9.219 7.724 8.437 1.00 0.00 C ATOM 496 C ARG A 36 -8.420 6.895 7.432 1.00 0.00 C ATOM 497 O ARG A 36 -7.862 7.416 6.471 1.00 0.00 O ATOM 498 CB ARG A 36 -8.263 8.566 9.258 1.00 0.00 C ATOM 499 CG ARG A 36 -8.933 9.471 10.276 1.00 0.00 C ATOM 500 CD ARG A 36 -7.900 10.265 11.042 1.00 0.00 C ATOM 501 NE ARG A 36 -7.060 11.057 10.139 1.00 0.00 N ATOM 502 CZ ARG A 36 -5.748 10.886 9.972 1.00 0.00 C ATOM 503 NH1 ARG A 36 -5.098 9.967 10.672 1.00 0.00 N ATOM 504 NH2 ARG A 36 -5.088 11.628 9.096 1.00 0.00 N ATOM 0 H ARG A 36 -9.387 6.227 9.866 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.913 8.373 7.903 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.572 7.904 9.779 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.668 9.180 8.582 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.620 10.150 9.771 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.526 8.873 10.968 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.399 10.926 11.751 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.275 9.587 11.623 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.513 11.794 9.598 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.601 9.386 11.343 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.094 9.841 10.540 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.583 12.331 8.548 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.085 11.496 8.969 1.00 0.00 H new ATOM 518 N CYS A 37 -8.418 5.601 7.635 1.00 0.00 N ATOM 519 CA CYS A 37 -7.693 4.668 6.840 1.00 0.00 C ATOM 520 C CYS A 37 -8.604 3.462 6.685 1.00 0.00 C ATOM 521 O CYS A 37 -9.646 3.426 7.308 1.00 0.00 O ATOM 522 CB CYS A 37 -6.417 4.287 7.584 1.00 0.00 C ATOM 523 SG CYS A 37 -5.354 5.692 8.023 1.00 0.00 S ATOM 0 H CYS A 37 -8.945 5.162 8.390 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.412 5.069 5.866 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.688 3.754 8.495 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.845 3.594 6.967 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.039 5.621 9.282 1.00 0.00 H new ATOM 529 N VAL A 38 -8.274 2.526 5.866 1.00 0.00 N ATOM 530 CA VAL A 38 -9.089 1.362 5.746 1.00 0.00 C ATOM 531 C VAL A 38 -8.208 0.168 5.702 1.00 0.00 C ATOM 532 O VAL A 38 -7.190 0.149 5.027 1.00 0.00 O ATOM 533 CB VAL A 38 -10.070 1.459 4.507 1.00 0.00 C ATOM 534 CG1 VAL A 38 -10.248 0.130 3.800 1.00 0.00 C ATOM 535 CG2 VAL A 38 -11.440 1.935 4.968 1.00 0.00 C ATOM 0 H VAL A 38 -7.447 2.540 5.269 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.740 1.275 6.616 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.621 2.165 3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.930 0.254 2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.282 -0.221 3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.660 -0.600 4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.110 2.000 4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.845 1.229 5.693 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.347 2.918 5.431 1.00 0.00 H new ATOM 545 N ASN A 39 -8.605 -0.806 6.418 1.00 0.00 N ATOM 546 CA ASN A 39 -7.888 -2.014 6.509 1.00 0.00 C ATOM 547 C ASN A 39 -8.646 -3.104 5.863 1.00 0.00 C ATOM 548 O ASN A 39 -9.800 -2.895 5.442 1.00 0.00 O ATOM 549 CB ASN A 39 -7.485 -2.329 7.958 1.00 0.00 C ATOM 550 CG ASN A 39 -8.594 -2.205 8.953 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.860 -1.137 9.489 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.190 -3.272 9.261 1.00 0.00 N ATOM 0 H ASN A 39 -9.461 -0.787 6.973 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.949 -1.909 5.965 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.090 -3.344 7.999 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.676 -1.660 8.250 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.918 -3.262 9.976 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.945 -4.146 8.795 1.00 0.00 H new ATOM 559 N VAL A 40 -8.020 -4.260 5.792 1.00 0.00 N ATOM 560 CA VAL A 40 -8.537 -5.452 5.119 1.00 0.00 C ATOM 561 C VAL A 40 -10.021 -5.745 5.455 1.00 0.00 C ATOM 562 O VAL A 40 -10.776 -6.164 4.605 1.00 0.00 O ATOM 563 CB VAL A 40 -7.619 -6.675 5.437 1.00 0.00 C ATOM 564 CG1 VAL A 40 -7.559 -6.964 6.924 1.00 0.00 C ATOM 565 CG2 VAL A 40 -8.024 -7.908 4.666 1.00 0.00 C ATOM 0 H VAL A 40 -7.103 -4.410 6.214 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.517 -5.260 4.046 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.616 -6.399 5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.910 -7.822 7.102 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.163 -6.094 7.448 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.561 -7.184 7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.357 -8.732 4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.048 -8.178 4.923 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.960 -7.706 3.597 1.00 0.00 H new ATOM 575 N GLU A 41 -10.425 -5.404 6.646 1.00 0.00 N ATOM 576 CA GLU A 41 -11.760 -5.648 7.119 1.00 0.00 C ATOM 577 C GLU A 41 -12.774 -4.829 6.319 1.00 0.00 C ATOM 578 O GLU A 41 -13.619 -5.365 5.614 1.00 0.00 O ATOM 579 CB GLU A 41 -11.832 -5.195 8.534 1.00 0.00 C ATOM 580 CG GLU A 41 -10.955 -5.916 9.514 1.00 0.00 C ATOM 581 CD GLU A 41 -11.142 -5.344 10.888 1.00 0.00 C ATOM 582 OE1 GLU A 41 -11.013 -4.111 11.046 1.00 0.00 O ATOM 583 OE2 GLU A 41 -11.476 -6.099 11.811 1.00 0.00 O ATOM 0 H GLU A 41 -9.825 -4.940 7.328 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.988 -6.709 7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.579 -4.135 8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.865 -5.287 8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.197 -6.979 9.518 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.911 -5.828 9.214 1.00 0.00 H new ATOM 590 N GLN A 42 -12.631 -3.518 6.411 1.00 0.00 N ATOM 591 CA GLN A 42 -13.538 -2.578 5.782 1.00 0.00 C ATOM 592 C GLN A 42 -13.486 -2.689 4.285 1.00 0.00 C ATOM 593 O GLN A 42 -14.515 -2.701 3.626 1.00 0.00 O ATOM 594 CB GLN A 42 -13.174 -1.182 6.219 1.00 0.00 C ATOM 595 CG GLN A 42 -13.460 -0.929 7.677 1.00 0.00 C ATOM 596 CD GLN A 42 -12.559 0.085 8.265 1.00 0.00 C ATOM 597 OE1 GLN A 42 -12.818 1.275 8.226 1.00 0.00 O ATOM 598 NE2 GLN A 42 -11.514 -0.378 8.869 1.00 0.00 N ATOM 0 H GLN A 42 -11.874 -3.073 6.930 1.00 0.00 H new ATOM 0 HA GLN A 42 -14.558 -2.808 6.091 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.115 -1.012 6.027 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.727 -0.462 5.616 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.493 -0.600 7.789 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.361 -1.863 8.230 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -11.333 -1.382 8.878 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.870 0.261 9.336 1.00 0.00 H new ATOM 607 N ALA A 43 -12.286 -2.826 3.750 1.00 0.00 N ATOM 608 CA ALA A 43 -12.091 -2.906 2.310 1.00 0.00 C ATOM 609 C ALA A 43 -12.756 -4.147 1.712 1.00 0.00 C ATOM 610 O ALA A 43 -13.147 -4.147 0.549 1.00 0.00 O ATOM 611 CB ALA A 43 -10.620 -2.865 1.970 1.00 0.00 C ATOM 0 H ALA A 43 -11.425 -2.885 4.294 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.574 -2.036 1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.495 -2.926 0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.188 -1.932 2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.114 -3.707 2.442 1.00 0.00 H new ATOM 617 N GLN A 44 -12.932 -5.183 2.531 1.00 0.00 N ATOM 618 CA GLN A 44 -13.561 -6.409 2.087 1.00 0.00 C ATOM 619 C GLN A 44 -15.050 -6.154 1.810 1.00 0.00 C ATOM 620 O GLN A 44 -15.698 -6.879 1.057 1.00 0.00 O ATOM 621 CB GLN A 44 -13.401 -7.512 3.133 1.00 0.00 C ATOM 622 CG GLN A 44 -12.979 -8.842 2.544 1.00 0.00 C ATOM 623 CD GLN A 44 -11.532 -8.812 2.078 1.00 0.00 C ATOM 624 OE1 GLN A 44 -11.158 -9.464 1.116 1.00 0.00 O ATOM 625 NE2 GLN A 44 -10.707 -8.093 2.796 1.00 0.00 N ATOM 0 H GLN A 44 -12.643 -5.189 3.509 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.074 -6.739 1.169 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -12.662 -7.199 3.871 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -14.345 -7.640 3.662 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.106 -9.628 3.289 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.628 -9.091 1.704 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.056 -7.561 3.593 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.715 -8.065 2.558 1.00 0.00 H new ATOM 634 N GLU A 45 -15.580 -5.137 2.453 1.00 0.00 N ATOM 635 CA GLU A 45 -16.943 -4.699 2.245 1.00 0.00 C ATOM 636 C GLU A 45 -16.959 -3.728 1.089 1.00 0.00 C ATOM 637 O GLU A 45 -17.727 -3.869 0.142 1.00 0.00 O ATOM 638 CB GLU A 45 -17.436 -3.957 3.466 1.00 0.00 C ATOM 639 CG GLU A 45 -17.277 -4.723 4.756 1.00 0.00 C ATOM 640 CD GLU A 45 -17.726 -3.925 5.933 1.00 0.00 C ATOM 641 OE1 GLU A 45 -16.930 -3.132 6.459 1.00 0.00 O ATOM 642 OE2 GLU A 45 -18.890 -4.065 6.350 1.00 0.00 O ATOM 0 H GLU A 45 -15.071 -4.584 3.143 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.574 -5.566 2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.897 -3.013 3.547 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.489 -3.712 3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.852 -5.647 4.703 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.232 -5.005 4.885 1.00 0.00 H new ATOM 649 N VAL A 46 -16.056 -2.754 1.179 1.00 0.00 N ATOM 650 CA VAL A 46 -15.954 -1.654 0.231 1.00 0.00 C ATOM 651 C VAL A 46 -15.793 -2.157 -1.210 1.00 0.00 C ATOM 652 O VAL A 46 -16.356 -1.574 -2.129 1.00 0.00 O ATOM 653 CB VAL A 46 -14.793 -0.668 0.606 1.00 0.00 C ATOM 654 CG1 VAL A 46 -14.751 0.505 -0.335 1.00 0.00 C ATOM 655 CG2 VAL A 46 -14.937 -0.156 2.033 1.00 0.00 C ATOM 0 H VAL A 46 -15.364 -2.709 1.927 1.00 0.00 H new ATOM 0 HA VAL A 46 -16.893 -1.103 0.290 1.00 0.00 H new ATOM 0 HB VAL A 46 -13.863 -1.230 0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.936 1.171 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -14.590 0.149 -1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.696 1.046 -0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.116 0.525 2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.885 0.372 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.913 -0.997 2.726 1.00 0.00 H new ATOM 665 N MET A 47 -15.079 -3.270 -1.391 1.00 0.00 N ATOM 666 CA MET A 47 -14.864 -3.852 -2.730 1.00 0.00 C ATOM 667 C MET A 47 -16.180 -4.204 -3.418 1.00 0.00 C ATOM 668 O MET A 47 -16.285 -4.131 -4.634 1.00 0.00 O ATOM 669 CB MET A 47 -13.966 -5.109 -2.690 1.00 0.00 C ATOM 670 CG MET A 47 -14.545 -6.288 -1.911 1.00 0.00 C ATOM 671 SD MET A 47 -13.622 -7.832 -2.139 1.00 0.00 S ATOM 672 CE MET A 47 -11.973 -7.346 -1.626 1.00 0.00 C ATOM 0 H MET A 47 -14.638 -3.790 -0.633 1.00 0.00 H new ATOM 0 HA MET A 47 -14.355 -3.078 -3.305 1.00 0.00 H new ATOM 0 HB2 MET A 47 -13.769 -5.430 -3.713 1.00 0.00 H new ATOM 0 HB3 MET A 47 -13.006 -4.838 -2.250 1.00 0.00 H new ATOM 0 HG2 MET A 47 -14.563 -6.038 -0.850 1.00 0.00 H new ATOM 0 HG3 MET A 47 -15.579 -6.444 -2.219 1.00 0.00 H new ATOM 0 HE1 MET A 47 -11.480 -8.189 -1.141 1.00 0.00 H new ATOM 0 HE2 MET A 47 -11.396 -7.040 -2.499 1.00 0.00 H new ATOM 0 HE3 MET A 47 -12.040 -6.513 -0.926 1.00 0.00 H new ATOM 682 N ALA A 48 -17.180 -4.562 -2.636 1.00 0.00 N ATOM 683 CA ALA A 48 -18.460 -4.966 -3.173 1.00 0.00 C ATOM 684 C ALA A 48 -19.331 -3.747 -3.435 1.00 0.00 C ATOM 685 O ALA A 48 -20.257 -3.781 -4.252 1.00 0.00 O ATOM 686 CB ALA A 48 -19.140 -5.917 -2.210 1.00 0.00 C ATOM 0 H ALA A 48 -17.127 -4.580 -1.618 1.00 0.00 H new ATOM 0 HA ALA A 48 -18.305 -5.481 -4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.105 -6.220 -2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -18.514 -6.798 -2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.291 -5.419 -1.252 1.00 0.00 H new ATOM 692 N ALA A 49 -19.007 -2.669 -2.761 1.00 0.00 N ATOM 693 CA ALA A 49 -19.748 -1.439 -2.868 1.00 0.00 C ATOM 694 C ALA A 49 -19.204 -0.584 -4.007 1.00 0.00 C ATOM 695 O ALA A 49 -19.972 0.056 -4.745 1.00 0.00 O ATOM 696 CB ALA A 49 -19.691 -0.679 -1.550 1.00 0.00 C ATOM 0 H ALA A 49 -18.216 -2.623 -2.119 1.00 0.00 H new ATOM 0 HA ALA A 49 -20.789 -1.675 -3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -20.254 0.250 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -20.124 -1.290 -0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.653 -0.452 -1.306 1.00 0.00 H new ATOM 702 N ALA A 50 -17.898 -0.562 -4.146 1.00 0.00 N ATOM 703 CA ALA A 50 -17.249 0.166 -5.152 1.00 0.00 C ATOM 704 C ALA A 50 -16.028 -0.626 -5.557 1.00 0.00 C ATOM 705 O ALA A 50 -15.028 -0.617 -4.842 1.00 0.00 O ATOM 706 CB ALA A 50 -16.851 1.534 -4.617 1.00 0.00 C ATOM 0 H ALA A 50 -17.262 -1.072 -3.533 1.00 0.00 H new ATOM 0 HA ALA A 50 -17.900 0.322 -6.012 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -16.346 2.099 -5.401 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -17.743 2.073 -4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.178 1.411 -3.768 1.00 0.00 H new ATOM 712 N PRO A 51 -16.121 -1.413 -6.643 1.00 0.00 N ATOM 713 CA PRO A 51 -14.997 -2.207 -7.133 1.00 0.00 C ATOM 714 C PRO A 51 -13.857 -1.351 -7.701 1.00 0.00 C ATOM 715 O PRO A 51 -13.668 -1.223 -8.923 1.00 0.00 O ATOM 716 CB PRO A 51 -15.600 -3.120 -8.204 1.00 0.00 C ATOM 717 CG PRO A 51 -16.876 -2.463 -8.603 1.00 0.00 C ATOM 718 CD PRO A 51 -17.344 -1.647 -7.429 1.00 0.00 C ATOM 0 HA PRO A 51 -14.532 -2.766 -6.321 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.928 -3.225 -9.056 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.778 -4.122 -7.813 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -16.725 -1.829 -9.476 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.623 -3.208 -8.876 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.796 -0.709 -7.751 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.096 -2.180 -6.847 1.00 0.00 H new ATOM 726 N LEU A 52 -13.185 -0.699 -6.812 1.00 0.00 N ATOM 727 CA LEU A 52 -12.006 0.047 -7.113 1.00 0.00 C ATOM 728 C LEU A 52 -10.804 -0.711 -6.593 1.00 0.00 C ATOM 729 O LEU A 52 -10.905 -1.440 -5.605 1.00 0.00 O ATOM 730 CB LEU A 52 -12.108 1.516 -6.602 1.00 0.00 C ATOM 731 CG LEU A 52 -12.924 1.742 -5.311 1.00 0.00 C ATOM 732 CD1 LEU A 52 -12.169 1.327 -4.062 1.00 0.00 C ATOM 733 CD2 LEU A 52 -13.455 3.161 -5.206 1.00 0.00 C ATOM 0 H LEU A 52 -13.447 -0.669 -5.827 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.887 0.146 -8.192 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.098 1.890 -6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.547 2.123 -7.394 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.790 1.084 -5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.790 1.508 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.924 0.267 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.250 1.908 -3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -14.022 3.270 -4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.621 3.863 -5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -14.104 3.370 -6.056 1.00 0.00 H new ATOM 745 N GLN A 53 -9.712 -0.585 -7.288 1.00 0.00 N ATOM 746 CA GLN A 53 -8.510 -1.341 -7.028 1.00 0.00 C ATOM 747 C GLN A 53 -7.809 -0.865 -5.732 1.00 0.00 C ATOM 748 O GLN A 53 -7.805 0.319 -5.431 1.00 0.00 O ATOM 749 CB GLN A 53 -7.614 -1.179 -8.252 1.00 0.00 C ATOM 750 CG GLN A 53 -7.008 -2.463 -8.726 1.00 0.00 C ATOM 751 CD GLN A 53 -5.991 -3.007 -7.768 1.00 0.00 C ATOM 752 OE1 GLN A 53 -5.854 -4.224 -7.617 1.00 0.00 O ATOM 753 NE2 GLN A 53 -5.212 -2.121 -7.170 1.00 0.00 N ATOM 0 H GLN A 53 -9.625 0.061 -8.072 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.743 -2.393 -6.865 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.196 -0.741 -9.063 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.816 -0.475 -8.017 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.797 -3.201 -8.871 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.539 -2.303 -9.697 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.362 -1.124 -7.324 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.461 -2.435 -6.555 1.00 0.00 H new ATOM 762 N TYR A 54 -7.192 -1.782 -4.998 1.00 0.00 N ATOM 763 CA TYR A 54 -6.582 -1.454 -3.731 1.00 0.00 C ATOM 764 C TYR A 54 -5.073 -1.572 -3.772 1.00 0.00 C ATOM 765 O TYR A 54 -4.498 -2.472 -4.427 1.00 0.00 O ATOM 766 CB TYR A 54 -7.134 -2.344 -2.617 1.00 0.00 C ATOM 767 CG TYR A 54 -8.611 -2.202 -2.420 1.00 0.00 C ATOM 768 CD1 TYR A 54 -9.125 -1.072 -1.834 1.00 0.00 C ATOM 769 CD2 TYR A 54 -9.491 -3.184 -2.841 1.00 0.00 C ATOM 770 CE1 TYR A 54 -10.475 -0.909 -1.660 1.00 0.00 C ATOM 771 CE2 TYR A 54 -10.847 -3.032 -2.677 1.00 0.00 C ATOM 772 CZ TYR A 54 -11.333 -1.890 -2.082 1.00 0.00 C ATOM 773 OH TYR A 54 -12.677 -1.721 -1.925 1.00 0.00 O ATOM 0 H TYR A 54 -7.105 -2.762 -5.267 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.832 -0.413 -3.525 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.904 -3.385 -2.846 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.625 -2.103 -1.684 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.452 -0.295 -1.503 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.107 -4.081 -3.304 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.859 -0.014 -1.194 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -11.526 -3.802 -3.012 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.071 -1.430 -2.774 1.00 0.00 H new ATOM 783 N VAL A 55 -4.437 -0.663 -3.099 1.00 0.00 N ATOM 784 CA VAL A 55 -3.020 -0.670 -2.939 1.00 0.00 C ATOM 785 C VAL A 55 -2.760 -0.410 -1.467 1.00 0.00 C ATOM 786 O VAL A 55 -3.597 0.202 -0.800 1.00 0.00 O ATOM 787 CB VAL A 55 -2.313 0.413 -3.822 1.00 0.00 C ATOM 788 CG1 VAL A 55 -2.611 1.817 -3.343 1.00 0.00 C ATOM 789 CG2 VAL A 55 -0.823 0.176 -3.893 1.00 0.00 C ATOM 0 H VAL A 55 -4.900 0.120 -2.637 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.611 -1.627 -3.263 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.721 0.317 -4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.101 2.536 -3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.686 1.994 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.261 1.933 -2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.361 0.944 -4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.400 0.217 -2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.631 -0.805 -4.328 1.00 0.00 H new ATOM 799 N GLY A 56 -1.669 -0.891 -0.962 1.00 0.00 N ATOM 800 CA GLY A 56 -1.363 -0.676 0.434 1.00 0.00 C ATOM 801 C GLY A 56 -0.034 -0.035 0.626 1.00 0.00 C ATOM 802 O GLY A 56 0.844 -0.217 -0.172 1.00 0.00 O ATOM 0 H GLY A 56 -0.976 -1.431 -1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.135 -0.049 0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.383 -1.631 0.960 1.00 0.00 H new ATOM 806 N VAL A 57 0.099 0.731 1.676 1.00 0.00 N ATOM 807 CA VAL A 57 1.352 1.380 2.043 1.00 0.00 C ATOM 808 C VAL A 57 1.526 1.143 3.529 1.00 0.00 C ATOM 809 O VAL A 57 0.615 1.458 4.293 1.00 0.00 O ATOM 810 CB VAL A 57 1.306 2.932 1.806 1.00 0.00 C ATOM 811 CG1 VAL A 57 2.656 3.585 2.084 1.00 0.00 C ATOM 812 CG2 VAL A 57 0.795 3.298 0.409 1.00 0.00 C ATOM 0 H VAL A 57 -0.667 0.932 2.318 1.00 0.00 H new ATOM 0 HA VAL A 57 2.163 0.975 1.437 1.00 0.00 H new ATOM 0 HB VAL A 57 0.587 3.329 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.584 4.658 1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.941 3.405 3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.409 3.159 1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.783 4.382 0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.452 2.863 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.215 2.909 0.277 1.00 0.00 H new ATOM 822 N PHE A 58 2.630 0.547 3.951 1.00 0.00 N ATOM 823 CA PHE A 58 2.820 0.297 5.383 1.00 0.00 C ATOM 824 C PHE A 58 4.230 -0.224 5.657 1.00 0.00 C ATOM 825 O PHE A 58 4.894 -0.742 4.754 1.00 0.00 O ATOM 826 CB PHE A 58 1.767 -0.747 5.870 1.00 0.00 C ATOM 827 CG PHE A 58 1.588 -0.819 7.358 1.00 0.00 C ATOM 828 CD1 PHE A 58 0.872 0.164 8.022 1.00 0.00 C ATOM 829 CD2 PHE A 58 2.131 -1.852 8.089 1.00 0.00 C ATOM 830 CE1 PHE A 58 0.707 0.112 9.389 1.00 0.00 C ATOM 831 CE2 PHE A 58 1.973 -1.908 9.455 1.00 0.00 C ATOM 832 CZ PHE A 58 1.261 -0.927 10.105 1.00 0.00 C ATOM 0 H PHE A 58 3.391 0.233 3.349 1.00 0.00 H new ATOM 0 HA PHE A 58 2.688 1.234 5.925 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.805 -0.511 5.414 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.059 -1.732 5.506 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.439 0.980 7.462 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.688 -2.628 7.584 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.146 0.882 9.897 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.408 -2.722 10.016 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.136 -0.971 11.177 1.00 0.00 H new ATOM 842 N ARG A 59 4.702 -0.049 6.881 1.00 0.00 N ATOM 843 CA ARG A 59 5.948 -0.653 7.301 1.00 0.00 C ATOM 844 C ARG A 59 5.591 -1.941 7.999 1.00 0.00 C ATOM 845 O ARG A 59 5.301 -1.952 9.190 1.00 0.00 O ATOM 846 CB ARG A 59 6.688 0.272 8.272 1.00 0.00 C ATOM 847 CG ARG A 59 7.190 1.543 7.637 1.00 0.00 C ATOM 848 CD ARG A 59 7.564 2.587 8.670 1.00 0.00 C ATOM 849 NE ARG A 59 6.383 3.086 9.390 1.00 0.00 N ATOM 850 CZ ARG A 59 6.232 4.342 9.846 1.00 0.00 C ATOM 851 NH1 ARG A 59 7.185 5.254 9.655 1.00 0.00 N ATOM 852 NH2 ARG A 59 5.128 4.685 10.492 1.00 0.00 N ATOM 0 H ARG A 59 4.238 0.508 7.599 1.00 0.00 H new ATOM 0 HA ARG A 59 6.600 -0.830 6.446 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.021 0.527 9.096 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.533 -0.267 8.701 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.058 1.320 7.017 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.422 1.946 6.977 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.270 2.159 9.381 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.070 3.419 8.180 1.00 0.00 H new ATOM 0 HE ARG A 59 5.620 2.429 9.556 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.040 5.002 9.159 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.060 6.204 10.005 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.391 3.996 10.644 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.014 5.638 10.837 1.00 0.00 H new ATOM 866 N ASN A 60 5.563 -2.999 7.260 1.00 0.00 N ATOM 867 CA ASN A 60 5.174 -4.251 7.769 1.00 0.00 C ATOM 868 C ASN A 60 6.415 -5.040 7.943 1.00 0.00 C ATOM 869 O ASN A 60 7.187 -5.193 7.016 1.00 0.00 O ATOM 870 CB ASN A 60 4.212 -4.952 6.819 1.00 0.00 C ATOM 871 CG ASN A 60 3.417 -6.074 7.485 1.00 0.00 C ATOM 872 OD1 ASN A 60 3.866 -6.707 8.436 1.00 0.00 O ATOM 873 ND2 ASN A 60 2.224 -6.310 6.984 1.00 0.00 N ATOM 0 H ASN A 60 5.815 -3.008 6.272 1.00 0.00 H new ATOM 0 HA ASN A 60 4.647 -4.139 8.716 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.518 -4.218 6.409 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.775 -5.363 5.981 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.637 -7.041 7.387 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.886 -5.762 6.193 1.00 0.00 H new ATOM 880 N HIS A 61 6.631 -5.435 9.118 1.00 0.00 N ATOM 881 CA HIS A 61 7.807 -6.203 9.486 1.00 0.00 C ATOM 882 C HIS A 61 7.640 -7.669 9.135 1.00 0.00 C ATOM 883 O HIS A 61 8.607 -8.362 8.788 1.00 0.00 O ATOM 884 CB HIS A 61 8.075 -6.051 10.978 1.00 0.00 C ATOM 885 CG HIS A 61 8.280 -4.628 11.400 1.00 0.00 C ATOM 886 ND1 HIS A 61 9.443 -3.940 11.198 1.00 0.00 N ATOM 887 CD2 HIS A 61 7.428 -3.755 11.988 1.00 0.00 C ATOM 888 CE1 HIS A 61 9.285 -2.705 11.648 1.00 0.00 C ATOM 889 NE2 HIS A 61 8.072 -2.531 12.146 1.00 0.00 N ATOM 0 H HIS A 61 6.000 -5.247 9.897 1.00 0.00 H new ATOM 0 HA HIS A 61 8.656 -5.817 8.922 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.238 -6.471 11.535 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.958 -6.632 11.243 1.00 0.00 H new ATOM 0 HD1 HIS A 61 10.291 -4.315 10.772 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.413 -3.973 12.286 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.047 -1.940 11.613 1.00 0.00 H new ATOM 897 N ASP A 62 6.424 -8.134 9.203 1.00 0.00 N ATOM 898 CA ASP A 62 6.124 -9.528 8.937 1.00 0.00 C ATOM 899 C ASP A 62 5.906 -9.743 7.455 1.00 0.00 C ATOM 900 O ASP A 62 4.892 -9.294 6.902 1.00 0.00 O ATOM 901 CB ASP A 62 4.858 -9.994 9.680 1.00 0.00 C ATOM 902 CG ASP A 62 4.936 -9.977 11.186 1.00 0.00 C ATOM 903 OD1 ASP A 62 4.560 -8.959 11.808 1.00 0.00 O ATOM 904 OD2 ASP A 62 5.291 -11.008 11.787 1.00 0.00 O ATOM 0 H ASP A 62 5.611 -7.567 9.443 1.00 0.00 H new ATOM 0 HA ASP A 62 6.977 -10.108 9.289 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.025 -9.362 9.371 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.624 -11.009 9.359 1.00 0.00 H new ATOM 909 N ILE A 63 6.830 -10.443 6.801 1.00 0.00 N ATOM 910 CA ILE A 63 6.685 -10.756 5.384 1.00 0.00 C ATOM 911 C ILE A 63 5.409 -11.535 5.113 1.00 0.00 C ATOM 912 O ILE A 63 4.679 -11.243 4.160 1.00 0.00 O ATOM 913 CB ILE A 63 7.928 -11.497 4.786 1.00 0.00 C ATOM 914 CG1 ILE A 63 7.625 -11.957 3.371 1.00 0.00 C ATOM 915 CG2 ILE A 63 8.345 -12.682 5.644 1.00 0.00 C ATOM 916 CD1 ILE A 63 8.830 -12.275 2.553 1.00 0.00 C ATOM 0 H ILE A 63 7.683 -10.802 7.229 1.00 0.00 H new ATOM 0 HA ILE A 63 6.618 -9.796 4.872 1.00 0.00 H new ATOM 0 HB ILE A 63 8.760 -10.793 4.770 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.990 -12.841 3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.052 -11.180 2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.211 -13.169 5.195 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.603 -12.334 6.644 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.521 -13.393 5.708 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.520 -12.595 1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.458 -11.388 2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.394 -13.075 3.032 1.00 0.00 H new ATOM 928 N ALA A 64 5.080 -12.432 6.013 1.00 0.00 N ATOM 929 CA ALA A 64 3.932 -13.272 5.849 1.00 0.00 C ATOM 930 C ALA A 64 2.661 -12.463 6.009 1.00 0.00 C ATOM 931 O ALA A 64 1.611 -12.839 5.511 1.00 0.00 O ATOM 932 CB ALA A 64 3.973 -14.420 6.840 1.00 0.00 C ATOM 0 H ALA A 64 5.603 -12.594 6.874 1.00 0.00 H new ATOM 0 HA ALA A 64 3.944 -13.691 4.843 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.094 -15.050 6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.873 -15.012 6.674 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.981 -14.024 7.855 1.00 0.00 H new ATOM 938 N ASP A 65 2.774 -11.324 6.653 1.00 0.00 N ATOM 939 CA ASP A 65 1.617 -10.496 6.917 1.00 0.00 C ATOM 940 C ASP A 65 1.351 -9.585 5.735 1.00 0.00 C ATOM 941 O ASP A 65 0.202 -9.231 5.446 1.00 0.00 O ATOM 942 CB ASP A 65 1.776 -9.695 8.188 1.00 0.00 C ATOM 943 CG ASP A 65 0.485 -9.013 8.585 1.00 0.00 C ATOM 944 OD1 ASP A 65 0.236 -7.868 8.163 1.00 0.00 O ATOM 945 OD2 ASP A 65 -0.328 -9.624 9.306 1.00 0.00 O ATOM 0 H ASP A 65 3.655 -10.949 7.004 1.00 0.00 H new ATOM 0 HA ASP A 65 0.759 -11.153 7.059 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.103 -10.352 8.994 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.556 -8.946 8.051 1.00 0.00 H new ATOM 950 N VAL A 66 2.423 -9.203 5.043 1.00 0.00 N ATOM 951 CA VAL A 66 2.294 -8.439 3.808 1.00 0.00 C ATOM 952 C VAL A 66 1.570 -9.313 2.810 1.00 0.00 C ATOM 953 O VAL A 66 0.595 -8.892 2.185 1.00 0.00 O ATOM 954 CB VAL A 66 3.670 -8.035 3.203 1.00 0.00 C ATOM 955 CG1 VAL A 66 3.486 -7.203 1.933 1.00 0.00 C ATOM 956 CG2 VAL A 66 4.498 -7.268 4.203 1.00 0.00 C ATOM 0 H VAL A 66 3.384 -9.409 5.316 1.00 0.00 H new ATOM 0 HA VAL A 66 1.755 -7.518 4.029 1.00 0.00 H new ATOM 0 HB VAL A 66 4.197 -8.954 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.462 -6.934 1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.936 -7.785 1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.928 -6.297 2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.454 -6.999 3.754 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.967 -6.363 4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.672 -7.888 5.083 1.00 0.00 H new ATOM 966 N VAL A 67 2.021 -10.565 2.738 1.00 0.00 N ATOM 967 CA VAL A 67 1.434 -11.564 1.849 1.00 0.00 C ATOM 968 C VAL A 67 -0.010 -11.803 2.249 1.00 0.00 C ATOM 969 O VAL A 67 -0.883 -11.921 1.404 1.00 0.00 O ATOM 970 CB VAL A 67 2.217 -12.900 1.913 1.00 0.00 C ATOM 971 CG1 VAL A 67 1.613 -13.950 0.984 1.00 0.00 C ATOM 972 CG2 VAL A 67 3.671 -12.670 1.564 1.00 0.00 C ATOM 0 H VAL A 67 2.802 -10.914 3.294 1.00 0.00 H new ATOM 0 HA VAL A 67 1.484 -11.189 0.827 1.00 0.00 H new ATOM 0 HB VAL A 67 2.147 -13.278 2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.188 -14.873 1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.580 -14.142 1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.639 -13.585 -0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.211 -13.616 1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.743 -12.262 0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.108 -11.966 2.272 1.00 0.00 H new ATOM 982 N ASP A 68 -0.232 -11.833 3.550 1.00 0.00 N ATOM 983 CA ASP A 68 -1.549 -12.009 4.151 1.00 0.00 C ATOM 984 C ASP A 68 -2.538 -11.006 3.589 1.00 0.00 C ATOM 985 O ASP A 68 -3.511 -11.386 2.950 1.00 0.00 O ATOM 986 CB ASP A 68 -1.436 -11.861 5.677 1.00 0.00 C ATOM 987 CG ASP A 68 -2.748 -11.891 6.413 1.00 0.00 C ATOM 988 OD1 ASP A 68 -3.405 -12.944 6.429 1.00 0.00 O ATOM 989 OD2 ASP A 68 -3.123 -10.859 7.030 1.00 0.00 O ATOM 0 H ASP A 68 0.514 -11.734 4.238 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.918 -13.007 3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.803 -12.661 6.060 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.932 -10.921 5.900 1.00 0.00 H new ATOM 994 N LYS A 69 -2.238 -9.733 3.745 1.00 0.00 N ATOM 995 CA LYS A 69 -3.136 -8.673 3.291 1.00 0.00 C ATOM 996 C LYS A 69 -3.235 -8.660 1.761 1.00 0.00 C ATOM 997 O LYS A 69 -4.332 -8.508 1.201 1.00 0.00 O ATOM 998 CB LYS A 69 -2.659 -7.300 3.791 1.00 0.00 C ATOM 999 CG LYS A 69 -2.459 -7.206 5.300 1.00 0.00 C ATOM 1000 CD LYS A 69 -3.736 -7.520 6.052 1.00 0.00 C ATOM 1001 CE LYS A 69 -3.540 -7.439 7.557 1.00 0.00 C ATOM 1002 NZ LYS A 69 -2.548 -8.414 8.046 1.00 0.00 N ATOM 0 H LYS A 69 -1.379 -9.399 4.183 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.123 -8.876 3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.718 -7.055 3.298 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.384 -6.545 3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.675 -7.898 5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.119 -6.204 5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.517 -6.822 5.749 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.079 -8.519 5.784 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.220 -6.432 7.826 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.494 -7.614 8.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.797 -8.707 9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.542 -9.246 7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.604 -7.977 8.049 1.00 0.00 H new ATOM 1016 N ALA A 70 -2.092 -8.857 1.104 1.00 0.00 N ATOM 1017 CA ALA A 70 -1.994 -8.864 -0.353 1.00 0.00 C ATOM 1018 C ALA A 70 -2.834 -9.981 -0.958 1.00 0.00 C ATOM 1019 O ALA A 70 -3.337 -9.859 -2.075 1.00 0.00 O ATOM 1020 CB ALA A 70 -0.538 -9.012 -0.769 1.00 0.00 C ATOM 0 H ALA A 70 -1.201 -9.018 1.574 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.382 -7.917 -0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.469 -9.017 -1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.040 -8.178 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.141 -9.948 -0.376 1.00 0.00 H new ATOM 1026 N LYS A 71 -2.969 -11.062 -0.223 1.00 0.00 N ATOM 1027 CA LYS A 71 -3.764 -12.192 -0.631 1.00 0.00 C ATOM 1028 C LYS A 71 -5.233 -11.971 -0.291 1.00 0.00 C ATOM 1029 O LYS A 71 -6.079 -11.972 -1.176 1.00 0.00 O ATOM 1030 CB LYS A 71 -3.281 -13.449 0.073 1.00 0.00 C ATOM 1031 CG LYS A 71 -4.087 -14.693 -0.254 1.00 0.00 C ATOM 1032 CD LYS A 71 -3.685 -15.862 0.629 1.00 0.00 C ATOM 1033 CE LYS A 71 -4.017 -15.604 2.103 1.00 0.00 C ATOM 1034 NZ LYS A 71 -3.649 -16.738 2.968 1.00 0.00 N ATOM 0 H LYS A 71 -2.523 -11.180 0.687 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.659 -12.306 -1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.239 -13.624 -0.194 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.310 -13.283 1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.149 -14.485 -0.124 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.940 -14.959 -1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.198 -16.764 0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.616 -16.046 0.524 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.493 -14.709 2.439 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.084 -15.406 2.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.893 -16.516 3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.168 -17.587 2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.626 -16.913 2.895 1.00 0.00 H new ATOM 1048 N VAL A 72 -5.516 -11.763 1.001 1.00 0.00 N ATOM 1049 CA VAL A 72 -6.894 -11.625 1.499 1.00 0.00 C ATOM 1050 C VAL A 72 -7.647 -10.537 0.747 1.00 0.00 C ATOM 1051 O VAL A 72 -8.659 -10.807 0.112 1.00 0.00 O ATOM 1052 CB VAL A 72 -6.957 -11.335 3.031 1.00 0.00 C ATOM 1053 CG1 VAL A 72 -8.393 -11.242 3.513 1.00 0.00 C ATOM 1054 CG2 VAL A 72 -6.218 -12.392 3.820 1.00 0.00 C ATOM 0 H VAL A 72 -4.804 -11.686 1.727 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.373 -12.588 1.321 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.470 -10.374 3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.405 -11.039 4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.902 -10.436 2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.905 -12.184 3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.280 -12.162 4.884 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.668 -13.367 3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.172 -12.410 3.513 1.00 0.00 H new ATOM 1064 N LEU A 73 -7.121 -9.330 0.776 1.00 0.00 N ATOM 1065 CA LEU A 73 -7.759 -8.223 0.112 1.00 0.00 C ATOM 1066 C LEU A 73 -7.502 -8.276 -1.403 1.00 0.00 C ATOM 1067 O LEU A 73 -8.215 -7.652 -2.180 1.00 0.00 O ATOM 1068 CB LEU A 73 -7.259 -6.910 0.725 1.00 0.00 C ATOM 1069 CG LEU A 73 -7.920 -5.627 0.240 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -9.421 -5.727 0.404 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -7.392 -4.449 1.033 1.00 0.00 C ATOM 0 H LEU A 73 -6.251 -9.095 1.255 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.838 -8.284 0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.387 -6.970 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.189 -6.833 0.535 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.688 -5.481 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.887 -4.806 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.796 -6.567 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.663 -5.880 1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.867 -3.533 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.615 -4.593 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.313 -4.373 0.897 1.00 0.00 H new ATOM 1083 N SER A 74 -6.495 -9.061 -1.793 1.00 0.00 N ATOM 1084 CA SER A 74 -6.101 -9.232 -3.184 1.00 0.00 C ATOM 1085 C SER A 74 -5.706 -7.890 -3.822 1.00 0.00 C ATOM 1086 O SER A 74 -6.446 -7.301 -4.625 1.00 0.00 O ATOM 1087 CB SER A 74 -7.185 -9.979 -3.980 1.00 0.00 C ATOM 1088 OG SER A 74 -7.479 -11.240 -3.357 1.00 0.00 O ATOM 0 H SER A 74 -5.926 -9.600 -1.140 1.00 0.00 H new ATOM 0 HA SER A 74 -5.209 -9.858 -3.213 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.089 -9.373 -4.034 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.848 -10.141 -5.004 1.00 0.00 H new ATOM 0 HG SER A 74 -6.821 -11.418 -2.653 1.00 0.00 H new ATOM 1094 N LEU A 75 -4.553 -7.400 -3.409 1.00 0.00 N ATOM 1095 CA LEU A 75 -4.031 -6.113 -3.830 1.00 0.00 C ATOM 1096 C LEU A 75 -3.400 -6.173 -5.213 1.00 0.00 C ATOM 1097 O LEU A 75 -3.460 -7.190 -5.909 1.00 0.00 O ATOM 1098 CB LEU A 75 -2.973 -5.660 -2.834 1.00 0.00 C ATOM 1099 CG LEU A 75 -3.426 -5.547 -1.394 1.00 0.00 C ATOM 1100 CD1 LEU A 75 -2.248 -5.253 -0.498 1.00 0.00 C ATOM 1101 CD2 LEU A 75 -4.472 -4.464 -1.269 1.00 0.00 C ATOM 0 H LEU A 75 -3.941 -7.894 -2.759 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.866 -5.413 -3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.137 -6.359 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.594 -4.689 -3.153 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.865 -6.495 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.587 -5.174 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.519 -6.059 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.786 -4.313 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.794 -4.387 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.050 -3.512 -1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.328 -4.711 -1.897 1.00 0.00 H new ATOM 1113 N ALA A 76 -2.776 -5.086 -5.583 1.00 0.00 N ATOM 1114 CA ALA A 76 -2.095 -4.978 -6.854 1.00 0.00 C ATOM 1115 C ALA A 76 -0.707 -4.539 -6.601 1.00 0.00 C ATOM 1116 O ALA A 76 0.199 -4.886 -7.323 1.00 0.00 O ATOM 1117 CB ALA A 76 -2.767 -4.001 -7.767 1.00 0.00 C ATOM 0 H ALA A 76 -2.723 -4.244 -5.010 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.117 -5.952 -7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.223 -3.951 -8.710 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.791 -4.324 -7.955 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.777 -3.016 -7.301 1.00 0.00 H new ATOM 1123 N ALA A 77 -0.545 -3.703 -5.606 1.00 0.00 N ATOM 1124 CA ALA A 77 0.754 -3.338 -5.145 1.00 0.00 C ATOM 1125 C ALA A 77 0.729 -3.034 -3.674 1.00 0.00 C ATOM 1126 O ALA A 77 -0.344 -2.879 -3.076 1.00 0.00 O ATOM 1127 CB ALA A 77 1.282 -2.161 -5.900 1.00 0.00 C ATOM 0 H ALA A 77 -1.313 -3.262 -5.100 1.00 0.00 H new ATOM 0 HA ALA A 77 1.417 -4.185 -5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.274 -1.905 -5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.345 -2.407 -6.960 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.613 -1.311 -5.764 1.00 0.00 H new ATOM 1133 N VAL A 78 1.890 -2.970 -3.107 1.00 0.00 N ATOM 1134 CA VAL A 78 2.079 -2.615 -1.721 1.00 0.00 C ATOM 1135 C VAL A 78 3.353 -1.789 -1.612 1.00 0.00 C ATOM 1136 O VAL A 78 4.339 -2.061 -2.301 1.00 0.00 O ATOM 1137 CB VAL A 78 2.161 -3.866 -0.806 1.00 0.00 C ATOM 1138 CG1 VAL A 78 3.285 -4.793 -1.266 1.00 0.00 C ATOM 1139 CG2 VAL A 78 2.352 -3.471 0.657 1.00 0.00 C ATOM 0 H VAL A 78 2.761 -3.167 -3.600 1.00 0.00 H new ATOM 0 HA VAL A 78 1.219 -2.038 -1.382 1.00 0.00 H new ATOM 0 HB VAL A 78 1.215 -4.402 -0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.328 -5.665 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.095 -5.115 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.235 -4.261 -1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.406 -4.369 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.276 -2.903 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.511 -2.859 0.981 1.00 0.00 H new ATOM 1149 N GLN A 79 3.297 -0.734 -0.866 1.00 0.00 N ATOM 1150 CA GLN A 79 4.368 0.123 -0.687 1.00 0.00 C ATOM 1151 C GLN A 79 5.003 -0.147 0.606 1.00 0.00 C ATOM 1152 O GLN A 79 4.440 0.122 1.676 1.00 0.00 O ATOM 1153 CB GLN A 79 3.938 1.567 -0.773 1.00 0.00 C ATOM 1154 CG GLN A 79 3.778 2.103 -2.172 1.00 0.00 C ATOM 1155 CD GLN A 79 2.620 1.505 -2.921 1.00 0.00 C ATOM 1156 OE1 GLN A 79 1.533 2.037 -2.901 1.00 0.00 O ATOM 1157 NE2 GLN A 79 2.833 0.363 -3.544 1.00 0.00 N ATOM 0 H GLN A 79 2.459 -0.456 -0.355 1.00 0.00 H new ATOM 0 HA GLN A 79 5.087 -0.053 -1.487 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.990 1.680 -0.247 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.670 2.180 -0.247 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.649 3.184 -2.124 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.695 1.916 -2.730 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.763 -0.055 -3.539 1.00 0.00 H new ATOM 0 HE22 GLN A 79 2.067 -0.103 -4.031 1.00 0.00 H new ATOM 1166 N LEU A 80 6.136 -0.710 0.519 1.00 0.00 N ATOM 1167 CA LEU A 80 6.894 -1.020 1.658 1.00 0.00 C ATOM 1168 C LEU A 80 7.773 0.147 1.945 1.00 0.00 C ATOM 1169 O LEU A 80 8.554 0.577 1.074 1.00 0.00 O ATOM 1170 CB LEU A 80 7.763 -2.239 1.389 1.00 0.00 C ATOM 1171 CG LEU A 80 7.036 -3.506 0.955 1.00 0.00 C ATOM 1172 CD1 LEU A 80 8.043 -4.565 0.590 1.00 0.00 C ATOM 1173 CD2 LEU A 80 6.117 -4.011 2.063 1.00 0.00 C ATOM 0 H LEU A 80 6.574 -0.975 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 80 6.236 -1.235 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.487 -1.979 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.328 -2.462 2.294 1.00 0.00 H new ATOM 0 HG LEU A 80 6.421 -3.277 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.522 -5.471 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.667 -4.207 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.669 -4.785 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.609 -4.916 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.707 -4.232 2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.378 -3.246 2.299 1.00 0.00 H new ATOM 1185 N HIS A 81 7.634 0.715 3.097 1.00 0.00 N ATOM 1186 CA HIS A 81 8.553 1.723 3.485 1.00 0.00 C ATOM 1187 C HIS A 81 9.760 0.957 4.055 1.00 0.00 C ATOM 1188 O HIS A 81 9.845 0.657 5.241 1.00 0.00 O ATOM 1189 CB HIS A 81 7.915 2.733 4.456 1.00 0.00 C ATOM 1190 CG HIS A 81 8.726 3.973 4.684 1.00 0.00 C ATOM 1191 ND1 HIS A 81 8.390 5.229 4.194 1.00 0.00 N ATOM 1192 CD2 HIS A 81 9.872 4.141 5.376 1.00 0.00 C ATOM 1193 CE1 HIS A 81 9.324 6.086 4.593 1.00 0.00 C ATOM 1194 NE2 HIS A 81 10.252 5.476 5.317 1.00 0.00 N ATOM 0 H HIS A 81 6.903 0.500 3.775 1.00 0.00 H new ATOM 0 HA HIS A 81 8.871 2.354 2.655 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.936 3.020 4.071 1.00 0.00 H new ATOM 0 HB3 HIS A 81 7.749 2.241 5.414 1.00 0.00 H new ATOM 0 HD2 HIS A 81 10.409 3.361 5.894 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.327 7.140 4.358 1.00 0.00 H new ATOM 0 HE2 HIS A 81 11.076 5.900 5.743 1.00 0.00 H new ATOM 1202 N GLY A 82 10.616 0.599 3.113 1.00 0.00 N ATOM 1203 CA GLY A 82 11.747 -0.334 3.216 1.00 0.00 C ATOM 1204 C GLY A 82 12.741 -0.198 4.351 1.00 0.00 C ATOM 1205 O GLY A 82 13.590 -1.071 4.490 1.00 0.00 O ATOM 0 H GLY A 82 10.538 0.982 2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.333 -1.341 3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.308 -0.267 2.284 1.00 0.00 H new ATOM 1209 N ASN A 83 12.659 0.872 5.109 1.00 0.00 N ATOM 1210 CA ASN A 83 13.632 1.276 6.168 1.00 0.00 C ATOM 1211 C ASN A 83 14.221 0.112 7.039 1.00 0.00 C ATOM 1212 O ASN A 83 15.315 0.262 7.599 1.00 0.00 O ATOM 1213 CB ASN A 83 12.991 2.373 7.059 1.00 0.00 C ATOM 1214 CG ASN A 83 13.896 2.898 8.178 1.00 0.00 C ATOM 1215 OD1 ASN A 83 14.710 3.801 7.960 1.00 0.00 O ATOM 1216 ND2 ASN A 83 13.724 2.397 9.380 1.00 0.00 N ATOM 0 H ASN A 83 11.887 1.532 5.021 1.00 0.00 H new ATOM 0 HA ASN A 83 14.502 1.662 5.637 1.00 0.00 H new ATOM 0 HB2 ASN A 83 12.696 3.210 6.426 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.080 1.974 7.504 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.270 2.753 10.164 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.044 1.652 9.529 1.00 0.00 H new ATOM 1223 N GLU A 84 13.519 -1.011 7.164 1.00 0.00 N ATOM 1224 CA GLU A 84 14.022 -2.130 7.950 1.00 0.00 C ATOM 1225 C GLU A 84 15.346 -2.730 7.425 1.00 0.00 C ATOM 1226 O GLU A 84 16.302 -2.861 8.194 1.00 0.00 O ATOM 1227 CB GLU A 84 12.975 -3.226 8.115 1.00 0.00 C ATOM 1228 CG GLU A 84 13.432 -4.333 9.039 1.00 0.00 C ATOM 1229 CD GLU A 84 12.370 -5.343 9.314 1.00 0.00 C ATOM 1230 OE1 GLU A 84 11.602 -5.151 10.283 1.00 0.00 O ATOM 1231 OE2 GLU A 84 12.310 -6.351 8.615 1.00 0.00 O ATOM 0 H GLU A 84 12.607 -1.168 6.734 1.00 0.00 H new ATOM 0 HA GLU A 84 14.244 -1.700 8.927 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.055 -2.789 8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.739 -3.648 7.138 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.295 -4.833 8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.763 -3.897 9.982 1.00 0.00 H new ATOM 1238 N GLU A 85 15.427 -3.014 6.131 1.00 0.00 N ATOM 1239 CA GLU A 85 16.585 -3.694 5.563 1.00 0.00 C ATOM 1240 C GLU A 85 16.395 -3.745 4.051 1.00 0.00 C ATOM 1241 O GLU A 85 15.277 -3.850 3.590 1.00 0.00 O ATOM 1242 CB GLU A 85 16.662 -5.104 6.181 1.00 0.00 C ATOM 1243 CG GLU A 85 18.007 -5.783 6.092 1.00 0.00 C ATOM 1244 CD GLU A 85 18.280 -6.430 4.785 1.00 0.00 C ATOM 1245 OE1 GLU A 85 17.779 -7.541 4.569 1.00 0.00 O ATOM 1246 OE2 GLU A 85 18.991 -5.849 3.947 1.00 0.00 O ATOM 0 H GLU A 85 14.701 -2.783 5.452 1.00 0.00 H new ATOM 0 HA GLU A 85 17.519 -3.176 5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.378 -5.037 7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 85 15.922 -5.737 5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.786 -5.047 6.289 1.00 0.00 H new ATOM 0 HG3 GLU A 85 18.073 -6.536 6.878 1.00 0.00 H new ATOM 1253 N GLN A 86 17.473 -3.710 3.299 1.00 0.00 N ATOM 1254 CA GLN A 86 17.426 -3.565 1.869 1.00 0.00 C ATOM 1255 C GLN A 86 17.068 -4.852 1.134 1.00 0.00 C ATOM 1256 O GLN A 86 16.307 -4.860 0.165 1.00 0.00 O ATOM 1257 CB GLN A 86 18.743 -3.013 1.391 1.00 0.00 C ATOM 1258 CG GLN A 86 18.944 -1.540 1.720 1.00 0.00 C ATOM 1259 CD GLN A 86 20.301 -0.982 1.322 1.00 0.00 C ATOM 1260 OE1 GLN A 86 20.418 0.186 0.985 1.00 0.00 O ATOM 1261 NE2 GLN A 86 21.328 -1.783 1.397 1.00 0.00 N ATOM 0 H GLN A 86 18.419 -3.783 3.674 1.00 0.00 H new ATOM 0 HA GLN A 86 16.619 -2.871 1.635 1.00 0.00 H new ATOM 0 HB2 GLN A 86 19.553 -3.590 1.838 1.00 0.00 H new ATOM 0 HB3 GLN A 86 18.813 -3.148 0.312 1.00 0.00 H new ATOM 0 HG2 GLN A 86 18.167 -0.961 1.221 1.00 0.00 H new ATOM 0 HG3 GLN A 86 18.808 -1.399 2.792 1.00 0.00 H new ATOM 0 HE21 GLN A 86 21.198 -2.754 1.682 1.00 0.00 H new ATOM 0 HE22 GLN A 86 22.261 -1.438 1.171 1.00 0.00 H new ATOM 1270 N LEU A 87 17.590 -5.915 1.616 1.00 0.00 N ATOM 1271 CA LEU A 87 17.431 -7.226 1.010 1.00 0.00 C ATOM 1272 C LEU A 87 16.123 -7.847 1.428 1.00 0.00 C ATOM 1273 O LEU A 87 15.639 -8.798 0.818 1.00 0.00 O ATOM 1274 CB LEU A 87 18.587 -8.094 1.419 1.00 0.00 C ATOM 1275 CG LEU A 87 19.936 -7.518 1.054 1.00 0.00 C ATOM 1276 CD1 LEU A 87 21.032 -8.218 1.799 1.00 0.00 C ATOM 1277 CD2 LEU A 87 20.170 -7.586 -0.444 1.00 0.00 C ATOM 0 H LEU A 87 18.158 -5.922 2.463 1.00 0.00 H new ATOM 0 HA LEU A 87 17.419 -7.128 -0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.548 -8.252 2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 87 18.480 -9.072 0.950 1.00 0.00 H new ATOM 0 HG LEU A 87 19.944 -6.468 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 87 21.994 -7.787 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.877 -8.098 2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 87 21.023 -9.279 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 87 21.148 -7.165 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 87 20.134 -8.625 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 87 19.396 -7.017 -0.959 1.00 0.00 H new ATOM 1289 N TYR A 88 15.553 -7.290 2.464 1.00 0.00 N ATOM 1290 CA TYR A 88 14.267 -7.695 2.950 1.00 0.00 C ATOM 1291 C TYR A 88 13.199 -7.478 1.878 1.00 0.00 C ATOM 1292 O TYR A 88 12.357 -8.327 1.659 1.00 0.00 O ATOM 1293 CB TYR A 88 13.935 -6.942 4.241 1.00 0.00 C ATOM 1294 CG TYR A 88 12.520 -7.120 4.717 1.00 0.00 C ATOM 1295 CD1 TYR A 88 11.969 -8.387 4.873 1.00 0.00 C ATOM 1296 CD2 TYR A 88 11.728 -6.016 4.989 1.00 0.00 C ATOM 1297 CE1 TYR A 88 10.679 -8.556 5.287 1.00 0.00 C ATOM 1298 CE2 TYR A 88 10.416 -6.179 5.413 1.00 0.00 C ATOM 1299 CZ TYR A 88 9.901 -7.458 5.558 1.00 0.00 C ATOM 1300 OH TYR A 88 8.612 -7.636 5.978 1.00 0.00 O ATOM 0 H TYR A 88 15.977 -6.532 2.999 1.00 0.00 H new ATOM 0 HA TYR A 88 14.288 -8.760 3.179 1.00 0.00 H new ATOM 0 HB2 TYR A 88 14.614 -7.274 5.026 1.00 0.00 H new ATOM 0 HB3 TYR A 88 14.122 -5.879 4.086 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.574 -9.256 4.662 1.00 0.00 H new ATOM 0 HD2 TYR A 88 12.134 -5.022 4.870 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.272 -9.550 5.401 1.00 0.00 H new ATOM 0 HE2 TYR A 88 9.802 -5.317 5.628 1.00 0.00 H new ATOM 0 HH TYR A 88 8.255 -6.785 6.309 1.00 0.00 H new ATOM 1310 N ILE A 89 13.301 -6.381 1.163 1.00 0.00 N ATOM 1311 CA ILE A 89 12.345 -6.041 0.107 1.00 0.00 C ATOM 1312 C ILE A 89 12.415 -7.088 -1.006 1.00 0.00 C ATOM 1313 O ILE A 89 11.394 -7.517 -1.570 1.00 0.00 O ATOM 1314 CB ILE A 89 12.589 -4.595 -0.458 1.00 0.00 C ATOM 1315 CG1 ILE A 89 12.111 -3.502 0.520 1.00 0.00 C ATOM 1316 CG2 ILE A 89 11.902 -4.398 -1.793 1.00 0.00 C ATOM 1317 CD1 ILE A 89 12.862 -3.426 1.815 1.00 0.00 C ATOM 0 H ILE A 89 14.044 -5.693 1.288 1.00 0.00 H new ATOM 0 HA ILE A 89 11.343 -6.045 0.536 1.00 0.00 H new ATOM 0 HB ILE A 89 13.667 -4.499 -0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.182 -2.535 0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.057 -3.671 0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 89 12.092 -3.387 -2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 89 12.290 -5.119 -2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.828 -4.545 -1.675 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.448 -2.627 2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.771 -4.375 2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 89 13.914 -3.222 1.614 1.00 0.00 H new ATOM 1329 N ASP A 90 13.615 -7.567 -1.217 1.00 0.00 N ATOM 1330 CA ASP A 90 13.926 -8.594 -2.205 1.00 0.00 C ATOM 1331 C ASP A 90 13.340 -9.940 -1.779 1.00 0.00 C ATOM 1332 O ASP A 90 13.133 -10.846 -2.584 1.00 0.00 O ATOM 1333 CB ASP A 90 15.426 -8.704 -2.305 1.00 0.00 C ATOM 1334 CG ASP A 90 15.877 -9.735 -3.317 1.00 0.00 C ATOM 1335 OD1 ASP A 90 15.792 -9.478 -4.533 1.00 0.00 O ATOM 1336 OD2 ASP A 90 16.329 -10.821 -2.906 1.00 0.00 O ATOM 0 H ASP A 90 14.433 -7.250 -0.696 1.00 0.00 H new ATOM 0 HA ASP A 90 13.494 -8.324 -3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.839 -7.732 -2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.832 -8.961 -1.327 1.00 0.00 H new ATOM 1341 N THR A 91 13.033 -10.025 -0.525 1.00 0.00 N ATOM 1342 CA THR A 91 12.492 -11.203 0.069 1.00 0.00 C ATOM 1343 C THR A 91 10.972 -11.255 -0.140 1.00 0.00 C ATOM 1344 O THR A 91 10.426 -12.304 -0.473 1.00 0.00 O ATOM 1345 CB THR A 91 12.841 -11.219 1.559 1.00 0.00 C ATOM 1346 OG1 THR A 91 14.264 -11.299 1.729 1.00 0.00 O ATOM 1347 CG2 THR A 91 12.167 -12.347 2.262 1.00 0.00 C ATOM 0 H THR A 91 13.155 -9.255 0.132 1.00 0.00 H new ATOM 0 HA THR A 91 12.923 -12.084 -0.405 1.00 0.00 H new ATOM 0 HB THR A 91 12.481 -10.291 2.003 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.681 -10.479 1.390 1.00 0.00 H new ATOM 0 HG21 THR A 91 12.436 -12.330 3.318 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.087 -12.245 2.161 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.485 -13.292 1.822 1.00 0.00 H new ATOM 1355 N LEU A 92 10.304 -10.098 0.016 1.00 0.00 N ATOM 1356 CA LEU A 92 8.861 -9.975 -0.169 1.00 0.00 C ATOM 1357 C LEU A 92 8.450 -10.516 -1.492 1.00 0.00 C ATOM 1358 O LEU A 92 7.457 -11.199 -1.598 1.00 0.00 O ATOM 1359 CB LEU A 92 8.375 -8.522 -0.040 1.00 0.00 C ATOM 1360 CG LEU A 92 8.168 -7.936 1.360 1.00 0.00 C ATOM 1361 CD1 LEU A 92 7.253 -8.784 2.142 1.00 0.00 C ATOM 1362 CD2 LEU A 92 9.449 -7.789 2.085 1.00 0.00 C ATOM 0 H LEU A 92 10.759 -9.223 0.275 1.00 0.00 H new ATOM 0 HA LEU A 92 8.397 -10.558 0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.091 -7.887 -0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.429 -8.441 -0.575 1.00 0.00 H new ATOM 0 HG LEU A 92 7.730 -6.945 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.117 -8.354 3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.289 -8.842 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.675 -9.785 2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.261 -7.370 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.923 -8.765 2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.108 -7.123 1.528 1.00 0.00 H new ATOM 1374 N ARG A 93 9.251 -10.200 -2.481 1.00 0.00 N ATOM 1375 CA ARG A 93 9.115 -10.677 -3.864 1.00 0.00 C ATOM 1376 C ARG A 93 8.802 -12.140 -3.935 1.00 0.00 C ATOM 1377 O ARG A 93 7.934 -12.577 -4.668 1.00 0.00 O ATOM 1378 CB ARG A 93 10.445 -10.529 -4.604 1.00 0.00 C ATOM 1379 CG ARG A 93 11.075 -9.187 -4.503 1.00 0.00 C ATOM 1380 CD ARG A 93 10.060 -8.145 -4.716 1.00 0.00 C ATOM 1381 NE ARG A 93 9.254 -8.399 -5.961 1.00 0.00 N ATOM 1382 CZ ARG A 93 8.903 -7.533 -6.927 1.00 0.00 C ATOM 1383 NH1 ARG A 93 9.363 -6.298 -6.946 1.00 0.00 N ATOM 1384 NH2 ARG A 93 8.120 -7.951 -7.917 1.00 0.00 N ATOM 0 H ARG A 93 10.051 -9.580 -2.355 1.00 0.00 H new ATOM 0 HA ARG A 93 8.311 -10.085 -4.301 1.00 0.00 H new ATOM 0 HB2 ARG A 93 11.143 -11.271 -4.217 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.285 -10.760 -5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.536 -9.064 -3.523 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.869 -9.091 -5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.394 -8.104 -3.854 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.547 -7.173 -4.790 1.00 0.00 H new ATOM 0 HE ARG A 93 8.930 -9.358 -6.089 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.001 -5.980 -6.216 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.081 -5.660 -7.690 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.794 -8.917 -7.936 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.845 -7.305 -8.657 1.00 0.00 H new ATOM 1398 N GLU A 94 9.505 -12.864 -3.146 1.00 0.00 N ATOM 1399 CA GLU A 94 9.479 -14.316 -3.200 1.00 0.00 C ATOM 1400 C GLU A 94 8.233 -14.900 -2.605 1.00 0.00 C ATOM 1401 O GLU A 94 7.823 -16.015 -2.928 1.00 0.00 O ATOM 1402 CB GLU A 94 10.674 -14.843 -2.519 1.00 0.00 C ATOM 1403 CG GLU A 94 11.892 -14.264 -3.132 1.00 0.00 C ATOM 1404 CD GLU A 94 12.033 -14.572 -4.617 1.00 0.00 C ATOM 1405 OE1 GLU A 94 12.345 -15.725 -4.982 1.00 0.00 O ATOM 1406 OE2 GLU A 94 11.863 -13.656 -5.448 1.00 0.00 O ATOM 0 H GLU A 94 10.126 -12.484 -2.432 1.00 0.00 H new ATOM 0 HA GLU A 94 9.481 -14.611 -4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.637 -14.598 -1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.698 -15.930 -2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.880 -13.183 -2.993 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.768 -14.643 -2.606 1.00 0.00 H new ATOM 1413 N ALA A 95 7.638 -14.158 -1.739 1.00 0.00 N ATOM 1414 CA ALA A 95 6.406 -14.578 -1.097 1.00 0.00 C ATOM 1415 C ALA A 95 5.197 -13.854 -1.709 1.00 0.00 C ATOM 1416 O ALA A 95 4.043 -14.130 -1.383 1.00 0.00 O ATOM 1417 CB ALA A 95 6.503 -14.355 0.400 1.00 0.00 C ATOM 0 H ALA A 95 7.977 -13.242 -1.444 1.00 0.00 H new ATOM 0 HA ALA A 95 6.258 -15.644 -1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.575 -14.672 0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 95 7.334 -14.936 0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.670 -13.297 0.600 1.00 0.00 H new ATOM 1423 N LEU A 96 5.493 -12.968 -2.612 1.00 0.00 N ATOM 1424 CA LEU A 96 4.526 -12.143 -3.299 1.00 0.00 C ATOM 1425 C LEU A 96 3.886 -12.940 -4.428 1.00 0.00 C ATOM 1426 O LEU A 96 4.597 -13.607 -5.202 1.00 0.00 O ATOM 1427 CB LEU A 96 5.288 -10.954 -3.895 1.00 0.00 C ATOM 1428 CG LEU A 96 4.481 -9.786 -4.420 1.00 0.00 C ATOM 1429 CD1 LEU A 96 3.814 -9.049 -3.272 1.00 0.00 C ATOM 1430 CD2 LEU A 96 5.384 -8.857 -5.211 1.00 0.00 C ATOM 0 H LEU A 96 6.452 -12.787 -2.907 1.00 0.00 H new ATOM 0 HA LEU A 96 3.746 -11.810 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.966 -10.575 -3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.905 -11.328 -4.712 1.00 0.00 H new ATOM 0 HG LEU A 96 3.698 -10.156 -5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.237 -8.211 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.150 -9.730 -2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.576 -8.676 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.801 -8.017 -5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.180 -8.486 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.821 -9.400 -6.049 1.00 0.00 H new ATOM 1442 N PRO A 97 2.551 -12.946 -4.523 1.00 0.00 N ATOM 1443 CA PRO A 97 1.879 -13.554 -5.650 1.00 0.00 C ATOM 1444 C PRO A 97 2.027 -12.653 -6.876 1.00 0.00 C ATOM 1445 O PRO A 97 2.291 -11.450 -6.745 1.00 0.00 O ATOM 1446 CB PRO A 97 0.420 -13.634 -5.214 1.00 0.00 C ATOM 1447 CG PRO A 97 0.263 -12.529 -4.231 1.00 0.00 C ATOM 1448 CD PRO A 97 1.597 -12.384 -3.542 1.00 0.00 C ATOM 0 HA PRO A 97 2.282 -14.530 -5.918 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.255 -13.510 -6.061 1.00 0.00 H new ATOM 0 HB3 PRO A 97 0.193 -14.600 -4.764 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.020 -11.602 -4.730 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.524 -12.757 -3.512 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.821 -11.342 -3.315 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.623 -12.929 -2.598 1.00 0.00 H new ATOM 1456 N ALA A 98 1.792 -13.207 -8.036 1.00 0.00 N ATOM 1457 CA ALA A 98 2.023 -12.518 -9.309 1.00 0.00 C ATOM 1458 C ALA A 98 1.098 -11.316 -9.510 1.00 0.00 C ATOM 1459 O ALA A 98 1.389 -10.423 -10.322 1.00 0.00 O ATOM 1460 CB ALA A 98 1.884 -13.499 -10.465 1.00 0.00 C ATOM 0 H ALA A 98 1.432 -14.156 -8.141 1.00 0.00 H new ATOM 0 HA ALA A 98 3.040 -12.126 -9.283 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.057 -12.978 -11.407 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.615 -14.299 -10.353 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.880 -13.923 -10.464 1.00 0.00 H new ATOM 1466 N HIS A 99 0.022 -11.279 -8.744 1.00 0.00 N ATOM 1467 CA HIS A 99 -0.987 -10.230 -8.863 1.00 0.00 C ATOM 1468 C HIS A 99 -0.495 -8.945 -8.236 1.00 0.00 C ATOM 1469 O HIS A 99 -0.847 -7.849 -8.675 1.00 0.00 O ATOM 1470 CB HIS A 99 -2.264 -10.612 -8.087 1.00 0.00 C ATOM 1471 CG HIS A 99 -2.785 -11.970 -8.318 1.00 0.00 C ATOM 1472 ND1 HIS A 99 -3.185 -12.817 -7.310 1.00 0.00 N ATOM 1473 CD2 HIS A 99 -2.987 -12.613 -9.453 1.00 0.00 C ATOM 1474 CE1 HIS A 99 -3.613 -13.942 -7.870 1.00 0.00 C ATOM 1475 NE2 HIS A 99 -3.517 -13.873 -9.186 1.00 0.00 N ATOM 0 H HIS A 99 -0.181 -11.971 -8.023 1.00 0.00 H new ATOM 0 HA HIS A 99 -1.188 -10.106 -9.927 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -2.064 -10.499 -7.022 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.046 -9.897 -8.342 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -2.774 -12.222 -10.437 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -3.988 -14.796 -7.325 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -3.776 -14.591 -9.863 1.00 0.00 H new ATOM 1483 N VAL A 100 0.335 -9.073 -7.229 1.00 0.00 N ATOM 1484 CA VAL A 100 0.713 -7.979 -6.460 1.00 0.00 C ATOM 1485 C VAL A 100 2.131 -7.551 -6.819 1.00 0.00 C ATOM 1486 O VAL A 100 2.948 -8.360 -7.250 1.00 0.00 O ATOM 1487 CB VAL A 100 0.596 -8.362 -4.970 1.00 0.00 C ATOM 1488 CG1 VAL A 100 0.879 -7.190 -4.106 1.00 0.00 C ATOM 1489 CG2 VAL A 100 -0.791 -8.911 -4.668 1.00 0.00 C ATOM 0 H VAL A 100 0.754 -9.958 -6.942 1.00 0.00 H new ATOM 0 HA VAL A 100 0.058 -7.131 -6.659 1.00 0.00 H new ATOM 0 HB VAL A 100 1.333 -9.137 -4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.791 -7.480 -3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.890 -6.831 -4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.164 -6.397 -4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.856 -9.176 -3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.540 -8.154 -4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.972 -9.797 -5.276 1.00 0.00 H new ATOM 1499 N ALA A 101 2.371 -6.280 -6.724 1.00 0.00 N ATOM 1500 CA ALA A 101 3.653 -5.693 -6.960 1.00 0.00 C ATOM 1501 C ALA A 101 4.093 -4.965 -5.708 1.00 0.00 C ATOM 1502 O ALA A 101 3.332 -4.845 -4.755 1.00 0.00 O ATOM 1503 CB ALA A 101 3.564 -4.728 -8.127 1.00 0.00 C ATOM 0 H ALA A 101 1.655 -5.599 -6.471 1.00 0.00 H new ATOM 0 HA ALA A 101 4.381 -6.467 -7.204 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.542 -4.282 -8.305 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.242 -5.265 -9.019 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.844 -3.943 -7.896 1.00 0.00 H new ATOM 1509 N ILE A 102 5.282 -4.463 -5.710 1.00 0.00 N ATOM 1510 CA ILE A 102 5.807 -3.759 -4.575 1.00 0.00 C ATOM 1511 C ILE A 102 6.320 -2.436 -5.036 1.00 0.00 C ATOM 1512 O ILE A 102 7.100 -2.379 -5.973 1.00 0.00 O ATOM 1513 CB ILE A 102 6.987 -4.500 -3.921 1.00 0.00 C ATOM 1514 CG1 ILE A 102 6.568 -5.871 -3.347 1.00 0.00 C ATOM 1515 CG2 ILE A 102 7.620 -3.599 -2.873 1.00 0.00 C ATOM 1516 CD1 ILE A 102 7.736 -6.690 -2.825 1.00 0.00 C ATOM 0 H ILE A 102 5.925 -4.526 -6.500 1.00 0.00 H new ATOM 0 HA ILE A 102 5.002 -3.667 -3.846 1.00 0.00 H new ATOM 0 HB ILE A 102 7.733 -4.723 -4.684 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.854 -5.715 -2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.053 -6.439 -4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.457 -4.117 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.978 -2.685 -3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.879 -3.347 -2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 102 7.369 -7.640 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 102 8.441 -6.877 -3.636 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.237 -6.142 -2.028 1.00 0.00 H new ATOM 1528 N TRP A 103 5.917 -1.387 -4.404 1.00 0.00 N ATOM 1529 CA TRP A 103 6.424 -0.094 -4.786 1.00 0.00 C ATOM 1530 C TRP A 103 7.112 0.525 -3.607 1.00 0.00 C ATOM 1531 O TRP A 103 6.845 0.156 -2.457 1.00 0.00 O ATOM 1532 CB TRP A 103 5.331 0.855 -5.296 1.00 0.00 C ATOM 1533 CG TRP A 103 4.467 0.332 -6.404 1.00 0.00 C ATOM 1534 CD1 TRP A 103 4.731 -0.682 -7.262 1.00 0.00 C ATOM 1535 CD2 TRP A 103 3.192 0.830 -6.763 1.00 0.00 C ATOM 1536 NE1 TRP A 103 3.692 -0.863 -8.118 1.00 0.00 N ATOM 1537 CE2 TRP A 103 2.725 0.065 -7.836 1.00 0.00 C ATOM 1538 CE3 TRP A 103 2.398 1.851 -6.265 1.00 0.00 C ATOM 1539 CZ2 TRP A 103 1.488 0.289 -8.420 1.00 0.00 C ATOM 1540 CZ3 TRP A 103 1.174 2.083 -6.843 1.00 0.00 C ATOM 1541 CH2 TRP A 103 0.728 1.302 -7.909 1.00 0.00 C ATOM 0 H TRP A 103 5.250 -1.387 -3.632 1.00 0.00 H new ATOM 0 HA TRP A 103 7.119 -0.247 -5.612 1.00 0.00 H new ATOM 0 HB2 TRP A 103 4.689 1.121 -4.457 1.00 0.00 H new ATOM 0 HB3 TRP A 103 5.807 1.774 -5.637 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.640 -1.265 -7.265 1.00 0.00 H new ATOM 0 HE1 TRP A 103 3.641 -1.572 -8.849 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.736 2.454 -5.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 1.139 -0.313 -9.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 0.549 2.880 -6.468 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -0.241 1.503 -8.341 1.00 0.00 H new ATOM 1552 N LYS A 104 7.983 1.438 -3.871 1.00 0.00 N ATOM 1553 CA LYS A 104 8.664 2.124 -2.832 1.00 0.00 C ATOM 1554 C LYS A 104 8.057 3.478 -2.636 1.00 0.00 C ATOM 1555 O LYS A 104 8.027 4.295 -3.551 1.00 0.00 O ATOM 1556 CB LYS A 104 10.180 2.228 -3.108 1.00 0.00 C ATOM 1557 CG LYS A 104 10.972 3.041 -2.067 1.00 0.00 C ATOM 1558 CD LYS A 104 10.707 2.547 -0.649 1.00 0.00 C ATOM 1559 CE LYS A 104 11.556 3.260 0.395 1.00 0.00 C ATOM 1560 NZ LYS A 104 11.406 4.721 0.399 1.00 0.00 N ATOM 0 H LYS A 104 8.242 1.729 -4.814 1.00 0.00 H new ATOM 0 HA LYS A 104 8.551 1.548 -1.913 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.596 1.222 -3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.326 2.680 -4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.038 2.971 -2.284 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.700 4.094 -2.143 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.653 2.689 -0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.903 1.476 -0.600 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.296 2.877 1.382 1.00 0.00 H new ATOM 0 HE3 LYS A 104 12.604 3.014 0.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.878 5.116 1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.838 5.117 -0.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.396 4.966 0.423 1.00 0.00 H new ATOM 1574 N ALA A 105 7.510 3.676 -1.476 1.00 0.00 N ATOM 1575 CA ALA A 105 7.033 4.968 -1.073 1.00 0.00 C ATOM 1576 C ALA A 105 8.262 5.790 -0.732 1.00 0.00 C ATOM 1577 O ALA A 105 8.869 5.602 0.317 1.00 0.00 O ATOM 1578 CB ALA A 105 6.111 4.828 0.131 1.00 0.00 C ATOM 0 H ALA A 105 7.380 2.944 -0.777 1.00 0.00 H new ATOM 0 HA ALA A 105 6.457 5.452 -1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.753 5.813 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.262 4.198 -0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.658 4.373 0.957 1.00 0.00 H new ATOM 1584 N LEU A 106 8.678 6.601 -1.659 1.00 0.00 N ATOM 1585 CA LEU A 106 9.892 7.351 -1.551 1.00 0.00 C ATOM 1586 C LEU A 106 9.621 8.691 -0.889 1.00 0.00 C ATOM 1587 O LEU A 106 8.835 9.505 -1.394 1.00 0.00 O ATOM 1588 CB LEU A 106 10.507 7.496 -2.978 1.00 0.00 C ATOM 1589 CG LEU A 106 11.938 8.098 -3.125 1.00 0.00 C ATOM 1590 CD1 LEU A 106 12.485 7.795 -4.508 1.00 0.00 C ATOM 1591 CD2 LEU A 106 11.950 9.609 -2.928 1.00 0.00 C ATOM 0 H LEU A 106 8.171 6.762 -2.529 1.00 0.00 H new ATOM 0 HA LEU A 106 10.615 6.836 -0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.518 6.506 -3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.828 8.112 -3.568 1.00 0.00 H new ATOM 0 HG LEU A 106 12.556 7.642 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.485 8.218 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.532 6.716 -4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.831 8.233 -5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.968 9.982 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.308 10.078 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.583 9.849 -1.930 1.00 0.00 H new ATOM 1748 N PHE A 117 15.664 0.908 -2.585 1.00 0.00 N ATOM 1749 CA PHE A 117 15.540 -0.496 -2.390 1.00 0.00 C ATOM 1750 C PHE A 117 15.417 -1.098 -3.730 1.00 0.00 C ATOM 1751 O PHE A 117 14.575 -0.679 -4.527 1.00 0.00 O ATOM 1752 CB PHE A 117 14.334 -0.850 -1.485 1.00 0.00 C ATOM 1753 CG PHE A 117 14.538 -0.313 -0.114 1.00 0.00 C ATOM 1754 CD1 PHE A 117 15.332 -0.979 0.765 1.00 0.00 C ATOM 1755 CD2 PHE A 117 14.013 0.898 0.247 1.00 0.00 C ATOM 1756 CE1 PHE A 117 15.617 -0.447 2.005 1.00 0.00 C ATOM 1757 CE2 PHE A 117 14.274 1.439 1.478 1.00 0.00 C ATOM 1758 CZ PHE A 117 15.085 0.769 2.361 1.00 0.00 C ATOM 0 HA PHE A 117 16.413 -0.890 -1.870 1.00 0.00 H new ATOM 0 HB2 PHE A 117 13.419 -0.439 -1.911 1.00 0.00 H new ATOM 0 HB3 PHE A 117 14.208 -1.932 -1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 117 15.745 -1.938 0.489 1.00 0.00 H new ATOM 0 HD2 PHE A 117 13.384 1.435 -0.448 1.00 0.00 H new ATOM 0 HE1 PHE A 117 16.255 -0.983 2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 117 13.843 2.390 1.754 1.00 0.00 H new ATOM 0 HZ PHE A 117 15.303 1.195 3.329 1.00 0.00 H new ATOM 1768 N GLN A 118 16.300 -1.982 -4.019 1.00 0.00 N ATOM 1769 CA GLN A 118 16.310 -2.649 -5.283 1.00 0.00 C ATOM 1770 C GLN A 118 15.162 -3.645 -5.343 1.00 0.00 C ATOM 1771 O GLN A 118 14.578 -4.005 -4.306 1.00 0.00 O ATOM 1772 CB GLN A 118 17.655 -3.377 -5.525 1.00 0.00 C ATOM 1773 CG GLN A 118 17.803 -4.722 -4.808 1.00 0.00 C ATOM 1774 CD GLN A 118 17.737 -4.646 -3.295 1.00 0.00 C ATOM 1775 OE1 GLN A 118 18.165 -3.667 -2.672 1.00 0.00 O ATOM 1776 NE2 GLN A 118 17.146 -5.643 -2.709 1.00 0.00 N ATOM 0 H GLN A 118 17.045 -2.270 -3.385 1.00 0.00 H new ATOM 0 HA GLN A 118 16.188 -1.901 -6.066 1.00 0.00 H new ATOM 0 HB2 GLN A 118 17.775 -3.539 -6.596 1.00 0.00 H new ATOM 0 HB3 GLN A 118 18.467 -2.722 -5.208 1.00 0.00 H new ATOM 0 HG2 GLN A 118 17.019 -5.393 -5.159 1.00 0.00 H new ATOM 0 HG3 GLN A 118 18.756 -5.168 -5.094 1.00 0.00 H new ATOM 0 HE21 GLN A 118 16.808 -6.431 -3.261 1.00 0.00 H new ATOM 0 HE22 GLN A 118 17.020 -5.638 -1.697 1.00 0.00 H new ATOM 1785 N HIS A 119 14.858 -4.075 -6.542 1.00 0.00 N ATOM 1786 CA HIS A 119 13.845 -5.073 -6.809 1.00 0.00 C ATOM 1787 C HIS A 119 12.443 -4.542 -6.429 1.00 0.00 C ATOM 1788 O HIS A 119 11.583 -5.270 -5.916 1.00 0.00 O ATOM 1789 CB HIS A 119 14.181 -6.415 -6.101 1.00 0.00 C ATOM 1790 CG HIS A 119 13.535 -7.629 -6.727 1.00 0.00 C ATOM 1791 ND1 HIS A 119 13.895 -8.922 -6.437 1.00 0.00 N ATOM 1792 CD2 HIS A 119 12.546 -7.722 -7.654 1.00 0.00 C ATOM 1793 CE1 HIS A 119 13.141 -9.742 -7.175 1.00 0.00 C ATOM 1794 NE2 HIS A 119 12.301 -9.058 -7.933 1.00 0.00 N ATOM 0 H HIS A 119 15.320 -3.733 -7.385 1.00 0.00 H new ATOM 0 HA HIS A 119 13.833 -5.278 -7.880 1.00 0.00 H new ATOM 0 HB2 HIS A 119 15.262 -6.552 -6.103 1.00 0.00 H new ATOM 0 HB3 HIS A 119 13.870 -6.350 -5.058 1.00 0.00 H new ATOM 0 HD1 HIS A 119 14.614 -9.207 -5.773 1.00 0.00 H new ATOM 0 HD2 HIS A 119 12.031 -6.886 -8.103 1.00 0.00 H new ATOM 0 HE1 HIS A 119 13.209 -10.820 -7.155 1.00 0.00 H new ATOM 1802 N VAL A 120 12.216 -3.277 -6.700 1.00 0.00 N ATOM 1803 CA VAL A 120 10.900 -2.695 -6.525 1.00 0.00 C ATOM 1804 C VAL A 120 10.244 -2.576 -7.873 1.00 0.00 C ATOM 1805 O VAL A 120 10.921 -2.538 -8.907 1.00 0.00 O ATOM 1806 CB VAL A 120 10.887 -1.325 -5.779 1.00 0.00 C ATOM 1807 CG1 VAL A 120 11.431 -1.469 -4.369 1.00 0.00 C ATOM 1808 CG2 VAL A 120 11.634 -0.243 -6.550 1.00 0.00 C ATOM 0 H VAL A 120 12.925 -2.629 -7.043 1.00 0.00 H new ATOM 0 HA VAL A 120 10.340 -3.367 -5.874 1.00 0.00 H new ATOM 0 HB VAL A 120 9.847 -1.006 -5.712 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.411 -0.500 -3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.816 -2.176 -3.812 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.457 -1.835 -4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 120 11.598 0.692 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 120 12.673 -0.544 -6.686 1.00 0.00 H new ATOM 0 HG23 VAL A 120 11.166 -0.102 -7.525 1.00 0.00 H new ATOM 1818 N ASP A 121 8.960 -2.554 -7.885 1.00 0.00 N ATOM 1819 CA ASP A 121 8.231 -2.528 -9.142 1.00 0.00 C ATOM 1820 C ASP A 121 8.040 -1.112 -9.653 1.00 0.00 C ATOM 1821 O ASP A 121 8.197 -0.847 -10.839 1.00 0.00 O ATOM 1822 CB ASP A 121 6.896 -3.242 -8.992 1.00 0.00 C ATOM 1823 CG ASP A 121 6.058 -3.206 -10.241 1.00 0.00 C ATOM 1824 OD1 ASP A 121 6.282 -4.040 -11.145 1.00 0.00 O ATOM 1825 OD2 ASP A 121 5.133 -2.397 -10.313 1.00 0.00 O ATOM 0 H ASP A 121 8.375 -2.553 -7.049 1.00 0.00 H new ATOM 0 HA ASP A 121 8.827 -3.057 -9.886 1.00 0.00 H new ATOM 0 HB2 ASP A 121 7.076 -4.280 -8.714 1.00 0.00 H new ATOM 0 HB3 ASP A 121 6.338 -2.785 -8.175 1.00 0.00 H new ATOM 1830 N LYS A 122 7.768 -0.208 -8.755 1.00 0.00 N ATOM 1831 CA LYS A 122 7.515 1.188 -9.103 1.00 0.00 C ATOM 1832 C LYS A 122 7.845 2.003 -7.873 1.00 0.00 C ATOM 1833 O LYS A 122 7.998 1.423 -6.794 1.00 0.00 O ATOM 1834 CB LYS A 122 6.018 1.395 -9.465 1.00 0.00 C ATOM 1835 CG LYS A 122 5.749 2.278 -10.686 1.00 0.00 C ATOM 1836 CD LYS A 122 6.205 1.609 -11.983 1.00 0.00 C ATOM 1837 CE LYS A 122 5.434 0.314 -12.242 1.00 0.00 C ATOM 1838 NZ LYS A 122 5.873 -0.363 -13.474 1.00 0.00 N ATOM 0 H LYS A 122 7.712 -0.404 -7.756 1.00 0.00 H new ATOM 0 HA LYS A 122 8.115 1.486 -9.963 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.566 0.418 -9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.512 1.832 -8.604 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.683 2.499 -10.747 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.266 3.230 -10.567 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.060 2.294 -12.818 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.272 1.394 -11.928 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.564 -0.359 -11.395 1.00 0.00 H new ATOM 0 HE3 LYS A 122 4.369 0.536 -12.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.322 -1.235 -13.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 5.725 0.267 -14.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.883 -0.600 -13.399 1.00 0.00 H new ATOM 1852 N TYR A 123 8.030 3.285 -7.996 1.00 0.00 N ATOM 1853 CA TYR A 123 8.194 4.083 -6.814 1.00 0.00 C ATOM 1854 C TYR A 123 7.212 5.221 -6.828 1.00 0.00 C ATOM 1855 O TYR A 123 6.857 5.749 -7.897 1.00 0.00 O ATOM 1856 CB TYR A 123 9.642 4.546 -6.567 1.00 0.00 C ATOM 1857 CG TYR A 123 10.141 5.624 -7.452 1.00 0.00 C ATOM 1858 CD1 TYR A 123 10.714 5.342 -8.664 1.00 0.00 C ATOM 1859 CD2 TYR A 123 10.056 6.938 -7.051 1.00 0.00 C ATOM 1860 CE1 TYR A 123 11.195 6.339 -9.459 1.00 0.00 C ATOM 1861 CE2 TYR A 123 10.522 7.943 -7.832 1.00 0.00 C ATOM 1862 CZ TYR A 123 11.096 7.648 -9.042 1.00 0.00 C ATOM 1863 OH TYR A 123 11.598 8.660 -9.829 1.00 0.00 O ATOM 0 H TYR A 123 8.071 3.792 -8.880 1.00 0.00 H new ATOM 0 HA TYR A 123 7.974 3.444 -5.958 1.00 0.00 H new ATOM 0 HB2 TYR A 123 9.722 4.885 -5.534 1.00 0.00 H new ATOM 0 HB3 TYR A 123 10.301 3.684 -6.672 1.00 0.00 H new ATOM 0 HD1 TYR A 123 10.785 4.316 -8.994 1.00 0.00 H new ATOM 0 HD2 TYR A 123 9.610 7.173 -6.096 1.00 0.00 H new ATOM 0 HE1 TYR A 123 11.651 6.104 -10.410 1.00 0.00 H new ATOM 0 HE2 TYR A 123 10.442 8.969 -7.504 1.00 0.00 H new ATOM 0 HH TYR A 123 11.446 9.523 -9.389 1.00 0.00 H new ATOM 1873 N VAL A 124 6.729 5.561 -5.676 1.00 0.00 N ATOM 1874 CA VAL A 124 5.747 6.604 -5.526 1.00 0.00 C ATOM 1875 C VAL A 124 6.223 7.553 -4.462 1.00 0.00 C ATOM 1876 O VAL A 124 7.247 7.310 -3.834 1.00 0.00 O ATOM 1877 CB VAL A 124 4.336 6.045 -5.132 1.00 0.00 C ATOM 1878 CG1 VAL A 124 3.790 5.120 -6.207 1.00 0.00 C ATOM 1879 CG2 VAL A 124 4.374 5.326 -3.786 1.00 0.00 C ATOM 0 H VAL A 124 7.004 5.121 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 124 5.636 7.108 -6.486 1.00 0.00 H new ATOM 0 HB VAL A 124 3.667 6.901 -5.041 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.811 4.749 -5.905 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.697 5.667 -7.145 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.470 4.279 -6.344 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.379 4.952 -3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.073 4.491 -3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 124 4.698 6.021 -3.011 1.00 0.00 H new ATOM 1889 N LEU A 125 5.499 8.604 -4.250 1.00 0.00 N ATOM 1890 CA LEU A 125 5.856 9.558 -3.243 1.00 0.00 C ATOM 1891 C LEU A 125 5.284 9.094 -1.928 1.00 0.00 C ATOM 1892 O LEU A 125 4.114 8.721 -1.863 1.00 0.00 O ATOM 1893 CB LEU A 125 5.344 10.978 -3.583 1.00 0.00 C ATOM 1894 CG LEU A 125 5.855 11.626 -4.893 1.00 0.00 C ATOM 1895 CD1 LEU A 125 7.367 11.524 -5.016 1.00 0.00 C ATOM 1896 CD2 LEU A 125 5.154 11.074 -6.135 1.00 0.00 C ATOM 0 H LEU A 125 4.648 8.827 -4.765 1.00 0.00 H new ATOM 0 HA LEU A 125 6.943 9.622 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.256 10.942 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.607 11.638 -2.756 1.00 0.00 H new ATOM 0 HG LEU A 125 5.598 12.684 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 125 7.688 11.990 -5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 125 7.836 12.034 -4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 125 7.662 10.475 -5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 125 5.551 11.563 -7.024 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.327 10.000 -6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.083 11.265 -6.063 1.00 0.00 H new