USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 787 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 58 LYS NZ :NH3+ -168:sc= 1.89 (180deg=0.575) USER MOD Set 1.2: A 72 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 75 THR OG1 : rot -120:sc= 0.841 USER MOD Set 2.1: A 40 GLN : amide:sc= 0.969 K(o=3.2,f=-3.1) USER MOD Set 2.2: A 44 LYS NZ :NH3+ -144:sc= 2.28 (180deg=0.831) USER MOD Set 3.1: A 34 ASN : amide:sc= 0.336 K(o=0.64,f=-2.7!) USER MOD Set 3.2: A 37 THR OG1 : rot 32:sc= 0.303 USER MOD Set 4.1: A 15 MET CE :methyl 140:sc= 0 (180deg=-0.0624) USER MOD Set 4.2: A 20 THR OG1 : rot -160:sc= 0.857 USER MOD Single : A 1 ARG N :NH3+ -164:sc= 1.06 (180deg=0.443) USER MOD Single : A 5 GLN : amide:sc= 0.374 K(o=0.37,f=-0.29) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.17) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0.932 K(o=0.93,f=0) USER MOD Single : A 38 MET CE :methyl 155:sc= -0.618 (180deg=-2.08!) USER MOD Single : A 43 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.24) USER MOD Single : A 48 TYR OH : rot 30:sc= 0.251 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 79:sc= 1.72 USER MOD Single : A 56 GLN : amide:sc= 0.528 K(o=0.53,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 0:sc= 0.21 USER MOD Single : A 67 ASN : amide:sc= 0.501 K(o=0.5,f=-4.2!) USER MOD Single : A 70 SER OG : rot 180:sc=-0.00188 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0299 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 75:sc= 1.08 USER MOD Single : A 80 HIS : no HE2:sc= 0.478 K(o=0.48,f=-5.2!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 158:sc= 2.34 (180deg=1.19!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -7.540 0.481 -8.288 1.00 0.00 N ATOM 2 CA ARG A 1 -6.236 0.878 -7.688 1.00 0.00 C ATOM 3 C ARG A 1 -5.811 -0.025 -6.530 1.00 0.00 C ATOM 4 O ARG A 1 -4.732 -0.620 -6.576 1.00 0.00 O ATOM 5 CB ARG A 1 -6.218 2.381 -7.315 1.00 0.00 C ATOM 6 CG ARG A 1 -4.823 2.943 -6.980 1.00 0.00 C ATOM 7 CD ARG A 1 -4.380 2.822 -5.517 1.00 0.00 C ATOM 8 NE ARG A 1 -3.030 3.389 -5.337 1.00 0.00 N ATOM 9 CZ ARG A 1 -2.713 4.643 -5.072 1.00 0.00 C ATOM 10 NH1 ARG A 1 -3.611 5.571 -4.900 1.00 0.00 N ATOM 11 NH2 ARG A 1 -1.464 4.993 -4.973 1.00 0.00 N ATOM 0 H1 ARG A 1 -7.649 0.938 -9.216 1.00 0.00 H new ATOM 0 H2 ARG A 1 -7.568 -0.552 -8.406 1.00 0.00 H new ATOM 0 H3 ARG A 1 -8.315 0.779 -7.662 1.00 0.00 H new ATOM 0 HA ARG A 1 -5.478 0.732 -8.458 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -6.636 2.952 -8.144 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -6.873 2.537 -6.458 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -4.089 2.433 -7.604 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -4.802 3.997 -7.259 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -5.088 3.342 -4.872 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -4.384 1.775 -5.215 1.00 0.00 H new ATOM 0 HE ARG A 1 -2.251 2.737 -5.428 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -4.602 5.340 -4.969 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -3.323 6.528 -4.697 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -0.728 4.298 -5.100 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -1.221 5.962 -4.768 1.00 0.00 H new ATOM 27 N ALA A 2 -6.614 -0.076 -5.463 1.00 0.00 N ATOM 28 CA ALA A 2 -6.215 -0.727 -4.207 1.00 0.00 C ATOM 29 C ALA A 2 -5.955 -2.235 -4.364 1.00 0.00 C ATOM 30 O ALA A 2 -4.934 -2.737 -3.904 1.00 0.00 O ATOM 31 CB ALA A 2 -7.285 -0.440 -3.145 1.00 0.00 C ATOM 0 H ALA A 2 -7.550 0.328 -5.442 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.260 -0.308 -3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.003 -0.917 -2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.369 0.636 -2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.244 -0.835 -3.479 1.00 0.00 H new ATOM 37 N ASP A 3 -6.868 -2.915 -5.052 1.00 0.00 N ATOM 38 CA ASP A 3 -6.733 -4.355 -5.336 1.00 0.00 C ATOM 39 C ASP A 3 -5.456 -4.698 -6.140 1.00 0.00 C ATOM 40 O ASP A 3 -4.751 -5.654 -5.811 1.00 0.00 O ATOM 41 CB ASP A 3 -7.993 -4.850 -6.056 1.00 0.00 C ATOM 42 CG ASP A 3 -8.000 -6.380 -6.200 1.00 0.00 C ATOM 43 OD1 ASP A 3 -8.171 -7.080 -5.172 1.00 0.00 O ATOM 44 OD2 ASP A 3 -7.869 -6.886 -7.340 1.00 0.00 O ATOM 0 H ASP A 3 -7.718 -2.495 -5.429 1.00 0.00 H new ATOM 0 HA ASP A 3 -6.627 -4.873 -4.383 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.877 -4.532 -5.503 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.052 -4.391 -7.043 1.00 0.00 H new ATOM 49 N GLU A 4 -5.114 -3.871 -7.135 1.00 0.00 N ATOM 50 CA GLU A 4 -3.920 -4.067 -7.962 1.00 0.00 C ATOM 51 C GLU A 4 -2.657 -3.850 -7.148 1.00 0.00 C ATOM 52 O GLU A 4 -1.743 -4.672 -7.201 1.00 0.00 O ATOM 53 CB GLU A 4 -3.935 -3.116 -9.170 1.00 0.00 C ATOM 54 CG GLU A 4 -5.183 -3.235 -10.062 1.00 0.00 C ATOM 55 CD GLU A 4 -6.225 -2.156 -9.715 1.00 0.00 C ATOM 56 OE1 GLU A 4 -6.805 -2.179 -8.604 1.00 0.00 O ATOM 57 OE2 GLU A 4 -6.441 -1.225 -10.523 1.00 0.00 O ATOM 0 H GLU A 4 -5.659 -3.047 -7.389 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.929 -5.095 -8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.858 -2.090 -8.809 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.050 -3.307 -9.778 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.894 -3.141 -11.109 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.626 -4.223 -9.941 1.00 0.00 H new ATOM 64 N GLN A 5 -2.615 -2.783 -6.343 1.00 0.00 N ATOM 65 CA GLN A 5 -1.450 -2.512 -5.509 1.00 0.00 C ATOM 66 C GLN A 5 -1.333 -3.503 -4.338 1.00 0.00 C ATOM 67 O GLN A 5 -0.225 -3.836 -3.925 1.00 0.00 O ATOM 68 CB GLN A 5 -1.307 -1.027 -5.129 1.00 0.00 C ATOM 69 CG GLN A 5 -2.338 -0.460 -4.145 1.00 0.00 C ATOM 70 CD GLN A 5 -2.083 -0.823 -2.683 1.00 0.00 C ATOM 71 OE1 GLN A 5 -1.115 -0.399 -2.066 1.00 0.00 O ATOM 72 NE2 GLN A 5 -2.946 -1.601 -2.065 1.00 0.00 N ATOM 0 H GLN A 5 -3.369 -2.102 -6.255 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.567 -2.701 -6.120 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.315 -0.880 -4.703 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.351 -0.437 -6.044 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.353 0.626 -4.240 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.328 -0.819 -4.428 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.758 -1.962 -2.567 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.803 -1.843 -1.084 1.00 0.00 H new ATOM 81 N ALA A 6 -2.451 -4.046 -3.845 1.00 0.00 N ATOM 82 CA ALA A 6 -2.462 -5.067 -2.803 1.00 0.00 C ATOM 83 C ALA A 6 -1.896 -6.393 -3.324 1.00 0.00 C ATOM 84 O ALA A 6 -1.055 -6.997 -2.650 1.00 0.00 O ATOM 85 CB ALA A 6 -3.888 -5.245 -2.267 1.00 0.00 C ATOM 0 H ALA A 6 -3.383 -3.783 -4.165 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.820 -4.741 -1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.892 -6.008 -1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.241 -4.301 -1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.546 -5.552 -3.080 1.00 0.00 H new ATOM 91 N PHE A 7 -2.284 -6.826 -4.534 1.00 0.00 N ATOM 92 CA PHE A 7 -1.686 -8.028 -5.113 1.00 0.00 C ATOM 93 C PHE A 7 -0.214 -7.797 -5.501 1.00 0.00 C ATOM 94 O PHE A 7 0.624 -8.661 -5.253 1.00 0.00 O ATOM 95 CB PHE A 7 -2.605 -8.644 -6.185 1.00 0.00 C ATOM 96 CG PHE A 7 -2.704 -8.058 -7.586 1.00 0.00 C ATOM 97 CD1 PHE A 7 -1.576 -7.969 -8.424 1.00 0.00 C ATOM 98 CD2 PHE A 7 -3.975 -7.758 -8.117 1.00 0.00 C ATOM 99 CE1 PHE A 7 -1.713 -7.521 -9.748 1.00 0.00 C ATOM 100 CE2 PHE A 7 -4.116 -7.342 -9.453 1.00 0.00 C ATOM 101 CZ PHE A 7 -2.981 -7.208 -10.268 1.00 0.00 C ATOM 0 H PHE A 7 -2.990 -6.373 -5.113 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.618 -8.811 -4.358 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.304 -9.685 -6.299 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.614 -8.647 -5.772 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.602 -8.246 -8.047 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.850 -7.849 -7.491 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.837 -7.416 -10.371 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.096 -7.126 -9.851 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.081 -6.867 -11.288 1.00 0.00 H new ATOM 111 N LEU A 8 0.124 -6.611 -6.020 1.00 0.00 N ATOM 112 CA LEU A 8 1.540 -6.254 -6.225 1.00 0.00 C ATOM 113 C LEU A 8 2.386 -6.168 -4.937 1.00 0.00 C ATOM 114 O LEU A 8 3.583 -6.450 -4.992 1.00 0.00 O ATOM 115 CB LEU A 8 1.616 -4.942 -7.017 1.00 0.00 C ATOM 116 CG LEU A 8 1.247 -5.122 -8.500 1.00 0.00 C ATOM 117 CD1 LEU A 8 0.895 -3.760 -9.095 1.00 0.00 C ATOM 118 CD2 LEU A 8 2.403 -5.724 -9.295 1.00 0.00 C ATOM 0 H LEU A 8 -0.544 -5.893 -6.302 1.00 0.00 H new ATOM 0 HA LEU A 8 1.985 -7.075 -6.787 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.945 -4.211 -6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.625 -4.536 -6.944 1.00 0.00 H new ATOM 0 HG LEU A 8 0.398 -5.803 -8.559 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.632 -3.879 -10.146 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.049 -3.335 -8.555 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.753 -3.093 -9.009 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.107 -5.837 -10.338 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.269 -5.065 -9.233 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.659 -6.700 -8.883 1.00 0.00 H new ATOM 130 N VAL A 9 1.795 -5.841 -3.780 1.00 0.00 N ATOM 131 CA VAL A 9 2.498 -5.957 -2.481 1.00 0.00 C ATOM 132 C VAL A 9 2.701 -7.428 -2.099 1.00 0.00 C ATOM 133 O VAL A 9 3.804 -7.826 -1.725 1.00 0.00 O ATOM 134 CB VAL A 9 1.777 -5.155 -1.375 1.00 0.00 C ATOM 135 CG1 VAL A 9 2.209 -5.534 0.049 1.00 0.00 C ATOM 136 CG2 VAL A 9 2.077 -3.660 -1.542 1.00 0.00 C ATOM 0 H VAL A 9 0.838 -5.495 -3.709 1.00 0.00 H new ATOM 0 HA VAL A 9 3.488 -5.514 -2.589 1.00 0.00 H new ATOM 0 HB VAL A 9 0.719 -5.389 -1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.659 -4.928 0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.997 -6.589 0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.278 -5.354 0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.567 -3.097 -0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.152 -3.494 -1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.726 -3.325 -2.518 1.00 0.00 H new ATOM 146 N ALA A 10 1.656 -8.243 -2.241 1.00 0.00 N ATOM 147 CA ALA A 10 1.780 -9.695 -2.053 1.00 0.00 C ATOM 148 C ALA A 10 2.873 -10.323 -2.953 1.00 0.00 C ATOM 149 O ALA A 10 3.700 -11.103 -2.467 1.00 0.00 O ATOM 150 CB ALA A 10 0.409 -10.356 -2.243 1.00 0.00 C ATOM 0 H ALA A 10 0.717 -7.928 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 10 2.114 -9.881 -1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.502 -11.433 -2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.293 -9.955 -1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.042 -10.151 -3.249 1.00 0.00 H new ATOM 156 N LEU A 11 2.953 -9.913 -4.227 1.00 0.00 N ATOM 157 CA LEU A 11 4.060 -10.251 -5.125 1.00 0.00 C ATOM 158 C LEU A 11 5.395 -9.710 -4.604 1.00 0.00 C ATOM 159 O LEU A 11 6.348 -10.474 -4.535 1.00 0.00 O ATOM 160 CB LEU A 11 3.763 -9.773 -6.560 1.00 0.00 C ATOM 161 CG LEU A 11 4.946 -9.986 -7.536 1.00 0.00 C ATOM 162 CD1 LEU A 11 4.454 -10.465 -8.899 1.00 0.00 C ATOM 163 CD2 LEU A 11 5.737 -8.692 -7.759 1.00 0.00 C ATOM 0 H LEU A 11 2.240 -9.330 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 11 4.153 -11.337 -5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.889 -10.304 -6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.507 -8.714 -6.537 1.00 0.00 H new ATOM 0 HG LEU A 11 5.588 -10.738 -7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.306 -10.606 -9.564 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.924 -11.410 -8.783 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.781 -9.721 -9.325 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.559 -8.882 -8.449 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.079 -7.931 -8.179 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.137 -8.341 -6.807 1.00 0.00 H new ATOM 175 N TYR A 12 5.489 -8.439 -4.197 1.00 0.00 N ATOM 176 CA TYR A 12 6.731 -7.866 -3.658 1.00 0.00 C ATOM 177 C TYR A 12 7.280 -8.692 -2.481 1.00 0.00 C ATOM 178 O TYR A 12 8.477 -8.995 -2.443 1.00 0.00 O ATOM 179 CB TYR A 12 6.511 -6.397 -3.263 1.00 0.00 C ATOM 180 CG TYR A 12 7.731 -5.735 -2.649 1.00 0.00 C ATOM 181 CD1 TYR A 12 7.953 -5.816 -1.259 1.00 0.00 C ATOM 182 CD2 TYR A 12 8.658 -5.061 -3.467 1.00 0.00 C ATOM 183 CE1 TYR A 12 9.113 -5.254 -0.694 1.00 0.00 C ATOM 184 CE2 TYR A 12 9.818 -4.492 -2.904 1.00 0.00 C ATOM 185 CZ TYR A 12 10.055 -4.598 -1.516 1.00 0.00 C ATOM 186 OH TYR A 12 11.183 -4.072 -0.965 1.00 0.00 O ATOM 0 H TYR A 12 4.711 -7.780 -4.231 1.00 0.00 H new ATOM 0 HA TYR A 12 7.487 -7.901 -4.442 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.211 -5.834 -4.147 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.685 -6.342 -2.554 1.00 0.00 H new ATOM 0 HD1 TYR A 12 7.231 -6.311 -0.626 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.480 -4.980 -4.529 1.00 0.00 H new ATOM 0 HE1 TYR A 12 9.283 -5.325 0.370 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.526 -3.975 -3.534 1.00 0.00 H new ATOM 0 HH TYR A 12 11.727 -3.656 -1.667 1.00 0.00 H new ATOM 196 N LYS A 13 6.403 -9.137 -1.566 1.00 0.00 N ATOM 197 CA LYS A 13 6.772 -10.040 -0.467 1.00 0.00 C ATOM 198 C LYS A 13 7.261 -11.394 -0.989 1.00 0.00 C ATOM 199 O LYS A 13 8.373 -11.799 -0.653 1.00 0.00 O ATOM 200 CB LYS A 13 5.592 -10.187 0.508 1.00 0.00 C ATOM 201 CG LYS A 13 6.054 -10.778 1.851 1.00 0.00 C ATOM 202 CD LYS A 13 4.887 -11.049 2.815 1.00 0.00 C ATOM 203 CE LYS A 13 3.998 -12.231 2.393 1.00 0.00 C ATOM 204 NZ LYS A 13 4.662 -13.544 2.611 1.00 0.00 N ATOM 0 H LYS A 13 5.416 -8.879 -1.569 1.00 0.00 H new ATOM 0 HA LYS A 13 7.609 -9.603 0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.131 -9.214 0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.830 -10.830 0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.592 -11.708 1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.757 -10.091 2.323 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.287 -11.244 3.810 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.272 -10.152 2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.065 -12.200 2.956 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.738 -12.129 1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.053 -14.305 2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.572 -13.561 2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.826 -13.685 3.628 1.00 0.00 H new ATOM 218 N TYR A 14 6.505 -12.058 -1.872 1.00 0.00 N ATOM 219 CA TYR A 14 6.936 -13.319 -2.495 1.00 0.00 C ATOM 220 C TYR A 14 8.263 -13.208 -3.274 1.00 0.00 C ATOM 221 O TYR A 14 9.041 -14.157 -3.324 1.00 0.00 O ATOM 222 CB TYR A 14 5.800 -13.793 -3.414 1.00 0.00 C ATOM 223 CG TYR A 14 6.064 -15.091 -4.153 1.00 0.00 C ATOM 224 CD1 TYR A 14 5.955 -16.321 -3.475 1.00 0.00 C ATOM 225 CD2 TYR A 14 6.399 -15.071 -5.523 1.00 0.00 C ATOM 226 CE1 TYR A 14 6.171 -17.530 -4.164 1.00 0.00 C ATOM 227 CE2 TYR A 14 6.614 -16.278 -6.214 1.00 0.00 C ATOM 228 CZ TYR A 14 6.497 -17.512 -5.537 1.00 0.00 C ATOM 229 OH TYR A 14 6.710 -18.676 -6.211 1.00 0.00 O ATOM 0 H TYR A 14 5.584 -11.741 -2.174 1.00 0.00 H new ATOM 0 HA TYR A 14 7.137 -14.041 -1.704 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.896 -13.912 -2.816 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.597 -13.012 -4.146 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.705 -16.337 -2.424 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.491 -14.128 -6.042 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.087 -18.471 -3.641 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.869 -16.261 -7.263 1.00 0.00 H new ATOM 0 HH TYR A 14 6.923 -18.478 -7.147 1.00 0.00 H new ATOM 239 N MET A 15 8.548 -12.041 -3.852 1.00 0.00 N ATOM 240 CA MET A 15 9.747 -11.764 -4.653 1.00 0.00 C ATOM 241 C MET A 15 10.970 -11.548 -3.769 1.00 0.00 C ATOM 242 O MET A 15 12.022 -12.135 -4.031 1.00 0.00 O ATOM 243 CB MET A 15 9.476 -10.576 -5.577 1.00 0.00 C ATOM 244 CG MET A 15 8.478 -11.047 -6.634 1.00 0.00 C ATOM 245 SD MET A 15 9.180 -11.972 -8.028 1.00 0.00 S ATOM 246 CE MET A 15 9.923 -10.609 -8.966 1.00 0.00 C ATOM 0 H MET A 15 7.931 -11.233 -3.774 1.00 0.00 H new ATOM 0 HA MET A 15 9.975 -12.632 -5.272 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.072 -9.734 -5.014 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.399 -10.233 -6.044 1.00 0.00 H new ATOM 0 HG2 MET A 15 7.730 -11.673 -6.147 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.956 -10.175 -7.028 1.00 0.00 H new ATOM 0 HE1 MET A 15 10.889 -10.924 -9.362 1.00 0.00 H new ATOM 0 HE2 MET A 15 9.265 -10.334 -9.790 1.00 0.00 H new ATOM 0 HE3 MET A 15 10.062 -9.749 -8.310 1.00 0.00 H new ATOM 256 N LYS A 16 10.831 -10.819 -2.652 1.00 0.00 N ATOM 257 CA LYS A 16 11.859 -10.809 -1.599 1.00 0.00 C ATOM 258 C LYS A 16 12.100 -12.244 -1.099 1.00 0.00 C ATOM 259 O LYS A 16 13.244 -12.649 -0.897 1.00 0.00 O ATOM 260 CB LYS A 16 11.415 -9.850 -0.482 1.00 0.00 C ATOM 261 CG LYS A 16 12.467 -9.709 0.628 1.00 0.00 C ATOM 262 CD LYS A 16 12.036 -8.661 1.662 1.00 0.00 C ATOM 263 CE LYS A 16 13.095 -8.543 2.765 1.00 0.00 C ATOM 264 NZ LYS A 16 12.711 -7.538 3.790 1.00 0.00 N ATOM 0 H LYS A 16 10.021 -10.231 -2.454 1.00 0.00 H new ATOM 0 HA LYS A 16 12.812 -10.447 -1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.211 -8.869 -0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.481 -10.210 -0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.614 -10.671 1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.425 -9.424 0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.896 -7.695 1.176 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.076 -8.941 2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.234 -9.514 3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.052 -8.265 2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.451 -7.486 4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.603 -6.607 3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.811 -7.817 4.229 1.00 0.00 H new ATOM 278 N GLU A 17 11.030 -13.045 -1.039 1.00 0.00 N ATOM 279 CA GLU A 17 11.129 -14.478 -0.674 1.00 0.00 C ATOM 280 C GLU A 17 11.687 -15.375 -1.807 1.00 0.00 C ATOM 281 O GLU A 17 11.879 -16.578 -1.607 1.00 0.00 O ATOM 282 CB GLU A 17 9.781 -15.003 -0.144 1.00 0.00 C ATOM 283 CG GLU A 17 9.432 -14.429 1.236 1.00 0.00 C ATOM 284 CD GLU A 17 8.070 -14.958 1.723 1.00 0.00 C ATOM 285 OE1 GLU A 17 7.023 -14.338 1.413 1.00 0.00 O ATOM 286 OE2 GLU A 17 8.035 -15.990 2.436 1.00 0.00 O ATOM 0 H GLU A 17 10.080 -12.732 -1.238 1.00 0.00 H new ATOM 0 HA GLU A 17 11.865 -14.538 0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.991 -14.748 -0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.816 -16.091 -0.084 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.208 -14.697 1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.407 -13.340 1.186 1.00 0.00 H new ATOM 293 N ARG A 18 11.976 -14.793 -2.984 1.00 0.00 N ATOM 294 CA ARG A 18 12.661 -15.484 -4.104 1.00 0.00 C ATOM 295 C ARG A 18 14.091 -14.943 -4.337 1.00 0.00 C ATOM 296 O ARG A 18 14.732 -15.325 -5.318 1.00 0.00 O ATOM 297 CB ARG A 18 11.790 -15.345 -5.383 1.00 0.00 C ATOM 298 CG ARG A 18 11.078 -16.618 -5.870 1.00 0.00 C ATOM 299 CD ARG A 18 9.884 -17.059 -5.015 1.00 0.00 C ATOM 300 NE ARG A 18 10.315 -17.657 -3.742 1.00 0.00 N ATOM 301 CZ ARG A 18 10.331 -18.925 -3.382 1.00 0.00 C ATOM 302 NH1 ARG A 18 9.848 -19.879 -4.126 1.00 0.00 N ATOM 303 NH2 ARG A 18 10.864 -19.240 -2.238 1.00 0.00 N ATOM 0 H ARG A 18 11.741 -13.822 -3.192 1.00 0.00 H new ATOM 0 HA ARG A 18 12.775 -16.538 -3.849 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.035 -14.581 -5.200 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.425 -14.979 -6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.734 -16.456 -6.892 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.803 -17.432 -5.903 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.243 -16.200 -4.815 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.285 -17.780 -5.571 1.00 0.00 H new ATOM 0 HE ARG A 18 10.648 -16.998 -3.039 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.434 -19.659 -5.032 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.884 -20.846 -3.803 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.258 -18.513 -1.641 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.888 -20.214 -1.938 1.00 0.00 H new ATOM 317 N LYS A 19 14.591 -14.063 -3.452 1.00 0.00 N ATOM 318 CA LYS A 19 15.882 -13.337 -3.526 1.00 0.00 C ATOM 319 C LYS A 19 15.907 -12.255 -4.619 1.00 0.00 C ATOM 320 O LYS A 19 16.965 -11.893 -5.136 1.00 0.00 O ATOM 321 CB LYS A 19 17.098 -14.292 -3.537 1.00 0.00 C ATOM 322 CG LYS A 19 17.130 -15.220 -2.309 1.00 0.00 C ATOM 323 CD LYS A 19 18.407 -16.075 -2.300 1.00 0.00 C ATOM 324 CE LYS A 19 18.541 -16.925 -1.027 1.00 0.00 C ATOM 325 NZ LYS A 19 17.528 -18.012 -0.952 1.00 0.00 N ATOM 0 H LYS A 19 14.073 -13.820 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 19 15.976 -12.775 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 19 17.073 -14.896 -4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 19 18.016 -13.706 -3.569 1.00 0.00 H new ATOM 0 HG2 LYS A 19 17.080 -14.625 -1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 19 16.254 -15.868 -2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 19 18.407 -16.730 -3.171 1.00 0.00 H new ATOM 0 HD3 LYS A 19 19.276 -15.424 -2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 19 19.539 -17.361 -0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 19 18.442 -16.281 -0.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.664 -18.553 -0.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.574 -17.598 -0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.637 -18.645 -1.770 1.00 0.00 H new ATOM 339 N THR A 20 14.724 -11.712 -4.922 1.00 0.00 N ATOM 340 CA THR A 20 14.565 -10.547 -5.796 1.00 0.00 C ATOM 341 C THR A 20 13.751 -9.465 -5.055 1.00 0.00 C ATOM 342 O THR A 20 12.551 -9.322 -5.284 1.00 0.00 O ATOM 343 CB THR A 20 14.004 -10.950 -7.183 1.00 0.00 C ATOM 344 OG1 THR A 20 13.419 -9.854 -7.848 1.00 0.00 O ATOM 345 CG2 THR A 20 12.949 -12.055 -7.203 1.00 0.00 C ATOM 0 H THR A 20 13.840 -12.073 -4.563 1.00 0.00 H new ATOM 0 HA THR A 20 15.536 -10.106 -6.022 1.00 0.00 H new ATOM 0 HB THR A 20 14.899 -11.329 -7.677 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.811 -10.180 -8.544 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.639 -12.243 -8.231 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.369 -12.967 -6.778 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.086 -11.745 -6.614 1.00 0.00 H new ATOM 353 N PRO A 21 14.371 -8.677 -4.147 1.00 0.00 N ATOM 354 CA PRO A 21 13.708 -7.608 -3.376 1.00 0.00 C ATOM 355 C PRO A 21 13.342 -6.357 -4.217 1.00 0.00 C ATOM 356 O PRO A 21 13.178 -5.264 -3.673 1.00 0.00 O ATOM 357 CB PRO A 21 14.683 -7.298 -2.233 1.00 0.00 C ATOM 358 CG PRO A 21 16.046 -7.545 -2.871 1.00 0.00 C ATOM 359 CD PRO A 21 15.780 -8.751 -3.769 1.00 0.00 C ATOM 0 HA PRO A 21 12.734 -7.934 -3.010 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.581 -6.271 -1.883 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.516 -7.946 -1.373 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.389 -6.682 -3.442 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.811 -7.757 -2.124 1.00 0.00 H new ATOM 0 HD2 PRO A 21 16.421 -8.728 -4.650 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.993 -9.682 -3.243 1.00 0.00 H new ATOM 367 N ILE A 22 13.221 -6.527 -5.542 1.00 0.00 N ATOM 368 CA ILE A 22 12.815 -5.454 -6.469 1.00 0.00 C ATOM 369 C ILE A 22 13.697 -4.204 -6.601 1.00 0.00 C ATOM 370 O ILE A 22 13.686 -3.611 -7.678 1.00 0.00 O ATOM 371 CB ILE A 22 11.280 -5.233 -6.379 1.00 0.00 C ATOM 372 CG1 ILE A 22 10.617 -6.245 -7.339 1.00 0.00 C ATOM 373 CG2 ILE A 22 10.795 -3.804 -6.684 1.00 0.00 C ATOM 374 CD1 ILE A 22 9.129 -6.494 -7.066 1.00 0.00 C ATOM 0 H ILE A 22 13.403 -7.417 -6.006 1.00 0.00 H new ATOM 0 HA ILE A 22 13.045 -5.833 -7.465 1.00 0.00 H new ATOM 0 HB ILE A 22 10.991 -5.388 -5.339 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.731 -5.886 -8.362 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.150 -7.193 -7.273 1.00 0.00 H new ATOM 0 HG21 ILE A 22 9.710 -3.761 -6.593 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.247 -3.108 -5.977 1.00 0.00 H new ATOM 0 HG23 ILE A 22 11.085 -3.530 -7.698 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.743 -7.217 -7.785 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.005 -6.885 -6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.580 -5.557 -7.162 1.00 0.00 H new ATOM 386 N GLU A 23 14.583 -3.853 -5.663 1.00 0.00 N ATOM 387 CA GLU A 23 15.582 -2.787 -5.893 1.00 0.00 C ATOM 388 C GLU A 23 16.552 -3.072 -7.059 1.00 0.00 C ATOM 389 O GLU A 23 17.151 -2.145 -7.606 1.00 0.00 O ATOM 390 CB GLU A 23 16.380 -2.534 -4.601 1.00 0.00 C ATOM 391 CG GLU A 23 15.500 -2.027 -3.450 1.00 0.00 C ATOM 392 CD GLU A 23 16.355 -1.657 -2.222 1.00 0.00 C ATOM 393 OE1 GLU A 23 16.686 -2.555 -1.410 1.00 0.00 O ATOM 394 OE2 GLU A 23 16.701 -0.461 -2.055 1.00 0.00 O ATOM 0 H GLU A 23 14.634 -4.285 -4.740 1.00 0.00 H new ATOM 0 HA GLU A 23 15.018 -1.900 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.873 -3.457 -4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 23 17.165 -1.805 -4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.932 -1.156 -3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.776 -2.794 -3.176 1.00 0.00 H new ATOM 401 N ARG A 24 16.664 -4.343 -7.487 1.00 0.00 N ATOM 402 CA ARG A 24 17.353 -4.760 -8.727 1.00 0.00 C ATOM 403 C ARG A 24 16.747 -4.147 -10.008 1.00 0.00 C ATOM 404 O ARG A 24 17.383 -4.165 -11.060 1.00 0.00 O ATOM 405 CB ARG A 24 17.427 -6.300 -8.790 1.00 0.00 C ATOM 406 CG ARG A 24 16.103 -6.975 -9.190 1.00 0.00 C ATOM 407 CD ARG A 24 16.209 -8.507 -9.127 1.00 0.00 C ATOM 408 NE ARG A 24 15.141 -9.135 -9.923 1.00 0.00 N ATOM 409 CZ ARG A 24 15.112 -9.372 -11.221 1.00 0.00 C ATOM 410 NH1 ARG A 24 16.097 -9.055 -12.014 1.00 0.00 N ATOM 411 NH2 ARG A 24 14.066 -9.938 -11.751 1.00 0.00 N ATOM 0 H ARG A 24 16.269 -5.129 -6.970 1.00 0.00 H new ATOM 0 HA ARG A 24 18.367 -4.361 -8.687 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.199 -6.587 -9.503 1.00 0.00 H new ATOM 0 HB3 ARG A 24 17.736 -6.679 -7.816 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.307 -6.637 -8.527 1.00 0.00 H new ATOM 0 HG3 ARG A 24 15.828 -6.670 -10.200 1.00 0.00 H new ATOM 0 HD2 ARG A 24 17.183 -8.825 -9.500 1.00 0.00 H new ATOM 0 HD3 ARG A 24 16.141 -8.839 -8.091 1.00 0.00 H new ATOM 0 HE ARG A 24 14.314 -9.425 -9.402 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.931 -8.606 -11.637 1.00 0.00 H new ATOM 0 HH12 ARG A 24 16.033 -9.256 -13.012 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.273 -10.196 -11.163 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.039 -10.123 -12.754 1.00 0.00 H new ATOM 425 N ILE A 25 15.537 -3.587 -9.902 1.00 0.00 N ATOM 426 CA ILE A 25 14.831 -2.768 -10.893 1.00 0.00 C ATOM 427 C ILE A 25 14.748 -1.343 -10.294 1.00 0.00 C ATOM 428 O ILE A 25 13.848 -1.046 -9.502 1.00 0.00 O ATOM 429 CB ILE A 25 13.458 -3.390 -11.233 1.00 0.00 C ATOM 430 CG1 ILE A 25 13.664 -4.732 -11.976 1.00 0.00 C ATOM 431 CG2 ILE A 25 12.631 -2.432 -12.109 1.00 0.00 C ATOM 432 CD1 ILE A 25 12.416 -5.616 -12.000 1.00 0.00 C ATOM 0 H ILE A 25 14.982 -3.704 -9.054 1.00 0.00 H new ATOM 0 HA ILE A 25 15.354 -2.722 -11.848 1.00 0.00 H new ATOM 0 HB ILE A 25 12.915 -3.567 -10.304 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.973 -4.527 -13.001 1.00 0.00 H new ATOM 0 HG13 ILE A 25 14.478 -5.280 -11.501 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.668 -2.888 -12.338 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.471 -1.496 -11.574 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.167 -2.233 -13.037 1.00 0.00 H new ATOM 0 HD11 ILE A 25 12.634 -6.539 -12.537 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.118 -5.852 -10.979 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.605 -5.088 -12.502 1.00 0.00 H new ATOM 444 N PRO A 26 15.723 -0.465 -10.599 1.00 0.00 N ATOM 445 CA PRO A 26 15.896 0.814 -9.908 1.00 0.00 C ATOM 446 C PRO A 26 14.825 1.870 -10.219 1.00 0.00 C ATOM 447 O PRO A 26 14.512 2.681 -9.344 1.00 0.00 O ATOM 448 CB PRO A 26 17.292 1.302 -10.317 1.00 0.00 C ATOM 449 CG PRO A 26 17.535 0.641 -11.673 1.00 0.00 C ATOM 450 CD PRO A 26 16.815 -0.697 -11.528 1.00 0.00 C ATOM 0 HA PRO A 26 15.788 0.663 -8.834 1.00 0.00 H new ATOM 0 HB2 PRO A 26 17.329 2.389 -10.391 1.00 0.00 H new ATOM 0 HB3 PRO A 26 18.047 1.007 -9.588 1.00 0.00 H new ATOM 0 HG2 PRO A 26 17.127 1.234 -12.491 1.00 0.00 H new ATOM 0 HG3 PRO A 26 18.598 0.509 -11.874 1.00 0.00 H new ATOM 0 HD2 PRO A 26 16.441 -1.045 -12.491 1.00 0.00 H new ATOM 0 HD3 PRO A 26 17.491 -1.465 -11.152 1.00 0.00 H new ATOM 458 N TYR A 27 14.253 1.864 -11.431 1.00 0.00 N ATOM 459 CA TYR A 27 13.310 2.902 -11.875 1.00 0.00 C ATOM 460 C TYR A 27 12.430 2.383 -13.028 1.00 0.00 C ATOM 461 O TYR A 27 12.783 1.411 -13.701 1.00 0.00 O ATOM 462 CB TYR A 27 14.081 4.115 -12.446 1.00 0.00 C ATOM 463 CG TYR A 27 15.004 4.876 -11.510 1.00 0.00 C ATOM 464 CD1 TYR A 27 14.466 5.674 -10.481 1.00 0.00 C ATOM 465 CD2 TYR A 27 16.400 4.830 -11.703 1.00 0.00 C ATOM 466 CE1 TYR A 27 15.316 6.419 -9.641 1.00 0.00 C ATOM 467 CE2 TYR A 27 17.254 5.570 -10.863 1.00 0.00 C ATOM 468 CZ TYR A 27 16.715 6.367 -9.829 1.00 0.00 C ATOM 469 OH TYR A 27 17.549 7.083 -9.024 1.00 0.00 O ATOM 0 H TYR A 27 14.430 1.142 -12.130 1.00 0.00 H new ATOM 0 HA TYR A 27 12.707 3.176 -11.009 1.00 0.00 H new ATOM 0 HB2 TYR A 27 14.675 3.766 -13.291 1.00 0.00 H new ATOM 0 HB3 TYR A 27 13.350 4.820 -12.841 1.00 0.00 H new ATOM 0 HD1 TYR A 27 13.397 5.715 -10.336 1.00 0.00 H new ATOM 0 HD2 TYR A 27 16.815 4.226 -12.496 1.00 0.00 H new ATOM 0 HE1 TYR A 27 14.899 7.029 -8.854 1.00 0.00 H new ATOM 0 HE2 TYR A 27 18.323 5.528 -11.010 1.00 0.00 H new ATOM 0 HH TYR A 27 18.478 6.928 -9.295 1.00 0.00 H new ATOM 479 N LEU A 28 11.312 3.068 -13.290 1.00 0.00 N ATOM 480 CA LEU A 28 10.534 2.927 -14.529 1.00 0.00 C ATOM 481 C LEU A 28 11.416 3.505 -15.658 1.00 0.00 C ATOM 482 O LEU A 28 11.900 2.776 -16.526 1.00 0.00 O ATOM 483 CB LEU A 28 9.174 3.630 -14.325 1.00 0.00 C ATOM 484 CG LEU A 28 8.078 3.202 -15.316 1.00 0.00 C ATOM 485 CD1 LEU A 28 6.755 3.855 -14.914 1.00 0.00 C ATOM 486 CD2 LEU A 28 8.379 3.599 -16.760 1.00 0.00 C ATOM 0 H LEU A 28 10.915 3.746 -12.639 1.00 0.00 H new ATOM 0 HA LEU A 28 10.290 1.900 -14.800 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.826 3.433 -13.311 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.320 4.707 -14.408 1.00 0.00 H new ATOM 0 HG LEU A 28 8.028 2.114 -15.273 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.974 3.555 -15.613 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.483 3.536 -13.908 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.863 4.939 -14.934 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.566 3.267 -17.406 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.476 4.683 -16.827 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.310 3.131 -17.079 1.00 0.00 H new ATOM 498 N GLY A 29 11.693 4.810 -15.550 1.00 0.00 N ATOM 499 CA GLY A 29 12.732 5.477 -16.357 1.00 0.00 C ATOM 500 C GLY A 29 13.590 6.427 -15.507 1.00 0.00 C ATOM 501 O GLY A 29 14.806 6.254 -15.428 1.00 0.00 O ATOM 0 H GLY A 29 11.208 5.434 -14.905 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.371 4.725 -16.820 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.261 6.037 -17.165 1.00 0.00 H new ATOM 505 N PHE A 30 12.943 7.355 -14.788 1.00 0.00 N ATOM 506 CA PHE A 30 13.556 8.272 -13.802 1.00 0.00 C ATOM 507 C PHE A 30 12.695 8.422 -12.522 1.00 0.00 C ATOM 508 O PHE A 30 12.782 9.426 -11.808 1.00 0.00 O ATOM 509 CB PHE A 30 13.827 9.634 -14.475 1.00 0.00 C ATOM 510 CG PHE A 30 14.812 9.605 -15.630 1.00 0.00 C ATOM 511 CD1 PHE A 30 16.175 9.342 -15.385 1.00 0.00 C ATOM 512 CD2 PHE A 30 14.381 9.868 -16.945 1.00 0.00 C ATOM 513 CE1 PHE A 30 17.098 9.331 -16.447 1.00 0.00 C ATOM 514 CE2 PHE A 30 15.305 9.864 -18.007 1.00 0.00 C ATOM 515 CZ PHE A 30 16.662 9.593 -17.758 1.00 0.00 C ATOM 0 H PHE A 30 11.937 7.497 -14.877 1.00 0.00 H new ATOM 0 HA PHE A 30 14.502 7.844 -13.472 1.00 0.00 H new ATOM 0 HB2 PHE A 30 12.881 10.036 -14.837 1.00 0.00 H new ATOM 0 HB3 PHE A 30 14.199 10.326 -13.719 1.00 0.00 H new ATOM 0 HD1 PHE A 30 16.512 9.148 -14.378 1.00 0.00 H new ATOM 0 HD2 PHE A 30 13.339 10.073 -17.139 1.00 0.00 H new ATOM 0 HE1 PHE A 30 18.140 9.122 -16.255 1.00 0.00 H new ATOM 0 HE2 PHE A 30 14.971 10.069 -19.013 1.00 0.00 H new ATOM 0 HZ PHE A 30 17.370 9.586 -18.574 1.00 0.00 H new ATOM 525 N LYS A 31 11.835 7.426 -12.254 1.00 0.00 N ATOM 526 CA LYS A 31 10.860 7.466 -11.144 1.00 0.00 C ATOM 527 C LYS A 31 10.628 6.049 -10.602 1.00 0.00 C ATOM 528 O LYS A 31 10.868 5.078 -11.322 1.00 0.00 O ATOM 529 CB LYS A 31 9.559 8.099 -11.686 1.00 0.00 C ATOM 530 CG LYS A 31 8.492 8.370 -10.613 1.00 0.00 C ATOM 531 CD LYS A 31 7.303 9.144 -11.200 1.00 0.00 C ATOM 532 CE LYS A 31 6.250 9.399 -10.115 1.00 0.00 C ATOM 533 NZ LYS A 31 5.097 10.175 -10.642 1.00 0.00 N ATOM 0 H LYS A 31 11.794 6.566 -12.801 1.00 0.00 H new ATOM 0 HA LYS A 31 11.230 8.066 -10.313 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.805 9.038 -12.182 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.136 7.439 -12.444 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.144 7.425 -10.195 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.932 8.939 -9.794 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.646 10.092 -11.614 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.861 8.579 -12.020 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.898 8.447 -9.719 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.705 9.941 -9.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.405 10.329 -9.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.430 11.094 -10.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.648 9.646 -11.417 1.00 0.00 H new ATOM 547 N GLN A 32 10.179 5.917 -9.353 1.00 0.00 N ATOM 548 CA GLN A 32 9.845 4.629 -8.725 1.00 0.00 C ATOM 549 C GLN A 32 8.856 3.807 -9.578 1.00 0.00 C ATOM 550 O GLN A 32 7.912 4.361 -10.149 1.00 0.00 O ATOM 551 CB GLN A 32 9.231 4.901 -7.335 1.00 0.00 C ATOM 552 CG GLN A 32 9.105 3.644 -6.451 1.00 0.00 C ATOM 553 CD GLN A 32 7.950 3.754 -5.457 1.00 0.00 C ATOM 554 OE1 GLN A 32 8.046 4.385 -4.411 1.00 0.00 O ATOM 555 NE2 GLN A 32 6.814 3.149 -5.744 1.00 0.00 N ATOM 0 H GLN A 32 10.033 6.715 -8.734 1.00 0.00 H new ATOM 0 HA GLN A 32 10.760 4.044 -8.636 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.844 5.638 -6.816 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.243 5.342 -7.465 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.956 2.769 -7.084 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.037 3.489 -5.907 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.723 2.621 -6.612 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.027 3.209 -5.098 1.00 0.00 H new ATOM 564 N ILE A 33 9.040 2.481 -9.622 1.00 0.00 N ATOM 565 CA ILE A 33 8.042 1.560 -10.193 1.00 0.00 C ATOM 566 C ILE A 33 6.659 1.764 -9.544 1.00 0.00 C ATOM 567 O ILE A 33 6.533 1.913 -8.327 1.00 0.00 O ATOM 568 CB ILE A 33 8.552 0.105 -10.032 1.00 0.00 C ATOM 569 CG1 ILE A 33 9.814 -0.177 -10.884 1.00 0.00 C ATOM 570 CG2 ILE A 33 7.476 -0.952 -10.333 1.00 0.00 C ATOM 571 CD1 ILE A 33 9.620 -0.143 -12.408 1.00 0.00 C ATOM 0 H ILE A 33 9.876 2.017 -9.267 1.00 0.00 H new ATOM 0 HA ILE A 33 7.915 1.771 -11.255 1.00 0.00 H new ATOM 0 HB ILE A 33 8.817 0.019 -8.978 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.578 0.554 -10.619 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.202 -1.158 -10.609 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.898 -1.948 -10.202 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.636 -0.821 -9.651 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.130 -0.837 -11.360 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.569 -0.354 -12.900 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.886 -0.894 -12.698 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.267 0.844 -12.708 1.00 0.00 H new ATOM 583 N ASN A 34 5.619 1.752 -10.381 1.00 0.00 N ATOM 584 CA ASN A 34 4.223 2.071 -10.055 1.00 0.00 C ATOM 585 C ASN A 34 3.290 1.108 -10.830 1.00 0.00 C ATOM 586 O ASN A 34 2.301 1.516 -11.438 1.00 0.00 O ATOM 587 CB ASN A 34 4.032 3.563 -10.400 1.00 0.00 C ATOM 588 CG ASN A 34 2.742 4.162 -9.867 1.00 0.00 C ATOM 589 OD1 ASN A 34 2.264 3.836 -8.789 1.00 0.00 O ATOM 590 ND2 ASN A 34 2.153 5.086 -10.590 1.00 0.00 N ATOM 0 H ASN A 34 5.734 1.505 -11.364 1.00 0.00 H new ATOM 0 HA ASN A 34 3.974 1.929 -9.003 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.874 4.128 -10.001 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.054 3.680 -11.483 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.299 5.530 -10.253 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.549 5.360 -11.489 1.00 0.00 H new ATOM 597 N LEU A 35 3.676 -0.177 -10.853 1.00 0.00 N ATOM 598 CA LEU A 35 3.178 -1.265 -11.717 1.00 0.00 C ATOM 599 C LEU A 35 1.649 -1.337 -11.938 1.00 0.00 C ATOM 600 O LEU A 35 1.229 -1.577 -13.066 1.00 0.00 O ATOM 601 CB LEU A 35 3.796 -2.598 -11.233 1.00 0.00 C ATOM 602 CG LEU A 35 4.206 -3.652 -12.288 1.00 0.00 C ATOM 603 CD1 LEU A 35 3.156 -3.961 -13.348 1.00 0.00 C ATOM 604 CD2 LEU A 35 5.491 -3.286 -13.032 1.00 0.00 C ATOM 0 H LEU A 35 4.402 -0.511 -10.219 1.00 0.00 H new ATOM 0 HA LEU A 35 3.515 -1.036 -12.728 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.681 -2.358 -10.644 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.082 -3.067 -10.557 1.00 0.00 H new ATOM 0 HG LEU A 35 4.347 -4.539 -11.670 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.544 -4.711 -14.037 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.255 -4.342 -12.867 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.917 -3.052 -13.899 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.725 -4.065 -13.758 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.354 -2.337 -13.550 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.311 -3.196 -12.319 1.00 0.00 H new ATOM 616 N TRP A 36 0.798 -1.061 -10.941 1.00 0.00 N ATOM 617 CA TRP A 36 -0.672 -1.004 -11.123 1.00 0.00 C ATOM 618 C TRP A 36 -1.090 -0.041 -12.266 1.00 0.00 C ATOM 619 O TRP A 36 -2.035 -0.315 -13.013 1.00 0.00 O ATOM 620 CB TRP A 36 -1.351 -0.595 -9.810 1.00 0.00 C ATOM 621 CG TRP A 36 -1.236 0.848 -9.435 1.00 0.00 C ATOM 622 CD1 TRP A 36 -0.168 1.429 -8.848 1.00 0.00 C ATOM 623 CD2 TRP A 36 -2.200 1.921 -9.672 1.00 0.00 C ATOM 624 NE1 TRP A 36 -0.392 2.784 -8.726 1.00 0.00 N ATOM 625 CE2 TRP A 36 -1.640 3.142 -9.191 1.00 0.00 C ATOM 626 CE3 TRP A 36 -3.486 1.986 -10.255 1.00 0.00 C ATOM 627 CZ2 TRP A 36 -2.319 4.366 -9.280 1.00 0.00 C ATOM 628 CZ3 TRP A 36 -4.184 3.208 -10.334 1.00 0.00 C ATOM 629 CH2 TRP A 36 -3.602 4.397 -9.855 1.00 0.00 C ATOM 0 H TRP A 36 1.100 -0.870 -9.986 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.001 -2.003 -11.408 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.409 -0.850 -9.876 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.929 -1.194 -9.003 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.724 0.913 -8.524 1.00 0.00 H new ATOM 0 HE1 TRP A 36 0.284 3.442 -8.339 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.940 1.087 -10.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.862 5.273 -8.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.174 3.232 -10.766 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.140 5.331 -9.929 1.00 0.00 H new ATOM 640 N THR A 37 -0.354 1.070 -12.442 1.00 0.00 N ATOM 641 CA THR A 37 -0.584 2.081 -13.489 1.00 0.00 C ATOM 642 C THR A 37 -0.197 1.561 -14.869 1.00 0.00 C ATOM 643 O THR A 37 -1.038 1.565 -15.766 1.00 0.00 O ATOM 644 CB THR A 37 0.166 3.392 -13.196 1.00 0.00 C ATOM 645 OG1 THR A 37 -0.345 3.960 -12.014 1.00 0.00 O ATOM 646 CG2 THR A 37 -0.018 4.455 -14.282 1.00 0.00 C ATOM 0 H THR A 37 0.440 1.296 -11.843 1.00 0.00 H new ATOM 0 HA THR A 37 -1.654 2.290 -13.484 1.00 0.00 H new ATOM 0 HB THR A 37 1.221 3.125 -13.131 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.642 3.247 -11.410 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.538 5.352 -14.011 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.353 4.072 -15.233 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.076 4.699 -14.377 1.00 0.00 H new ATOM 654 N MET A 38 1.033 1.064 -15.065 1.00 0.00 N ATOM 655 CA MET A 38 1.401 0.444 -16.348 1.00 0.00 C ATOM 656 C MET A 38 0.612 -0.847 -16.637 1.00 0.00 C ATOM 657 O MET A 38 0.436 -1.189 -17.802 1.00 0.00 O ATOM 658 CB MET A 38 2.918 0.266 -16.542 1.00 0.00 C ATOM 659 CG MET A 38 3.708 -0.235 -15.333 1.00 0.00 C ATOM 660 SD MET A 38 4.329 1.106 -14.272 1.00 0.00 S ATOM 661 CE MET A 38 5.932 0.410 -13.781 1.00 0.00 C ATOM 0 H MET A 38 1.777 1.077 -14.368 1.00 0.00 H new ATOM 0 HA MET A 38 1.098 1.167 -17.106 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.077 -0.430 -17.365 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.337 1.224 -16.850 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.073 -0.893 -14.740 1.00 0.00 H new ATOM 0 HG3 MET A 38 4.550 -0.833 -15.681 1.00 0.00 H new ATOM 0 HE1 MET A 38 6.615 1.218 -13.521 1.00 0.00 H new ATOM 0 HE2 MET A 38 5.797 -0.242 -12.918 1.00 0.00 H new ATOM 0 HE3 MET A 38 6.348 -0.165 -14.609 1.00 0.00 H new ATOM 671 N PHE A 39 0.061 -1.521 -15.621 1.00 0.00 N ATOM 672 CA PHE A 39 -0.897 -2.609 -15.831 1.00 0.00 C ATOM 673 C PHE A 39 -2.215 -2.104 -16.433 1.00 0.00 C ATOM 674 O PHE A 39 -2.590 -2.573 -17.509 1.00 0.00 O ATOM 675 CB PHE A 39 -1.144 -3.359 -14.519 1.00 0.00 C ATOM 676 CG PHE A 39 -2.225 -4.417 -14.643 1.00 0.00 C ATOM 677 CD1 PHE A 39 -2.052 -5.504 -15.522 1.00 0.00 C ATOM 678 CD2 PHE A 39 -3.432 -4.282 -13.930 1.00 0.00 C ATOM 679 CE1 PHE A 39 -3.079 -6.446 -15.692 1.00 0.00 C ATOM 680 CE2 PHE A 39 -4.459 -5.227 -14.097 1.00 0.00 C ATOM 681 CZ PHE A 39 -4.282 -6.305 -14.982 1.00 0.00 C ATOM 0 H PHE A 39 0.265 -1.329 -14.640 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.462 -3.300 -16.553 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.216 -3.830 -14.194 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.427 -2.645 -13.745 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.126 -5.613 -16.067 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.569 -3.451 -13.254 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.944 -7.278 -16.368 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.383 -5.125 -13.546 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.074 -7.027 -15.116 1.00 0.00 H new ATOM 691 N GLN A 40 -2.899 -1.123 -15.822 1.00 0.00 N ATOM 692 CA GLN A 40 -4.113 -0.574 -16.453 1.00 0.00 C ATOM 693 C GLN A 40 -3.821 0.078 -17.815 1.00 0.00 C ATOM 694 O GLN A 40 -4.646 -0.012 -18.721 1.00 0.00 O ATOM 695 CB GLN A 40 -4.899 0.373 -15.526 1.00 0.00 C ATOM 696 CG GLN A 40 -4.173 1.678 -15.151 1.00 0.00 C ATOM 697 CD GLN A 40 -5.117 2.774 -14.663 1.00 0.00 C ATOM 698 OE1 GLN A 40 -6.067 3.155 -15.337 1.00 0.00 O ATOM 699 NE2 GLN A 40 -4.879 3.359 -13.509 1.00 0.00 N ATOM 0 H GLN A 40 -2.647 -0.706 -14.926 1.00 0.00 H new ATOM 0 HA GLN A 40 -4.760 -1.431 -16.638 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.843 0.627 -16.009 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -5.144 -0.163 -14.609 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.439 1.467 -14.373 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.622 2.042 -16.019 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.093 3.054 -12.935 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.481 4.117 -13.188 1.00 0.00 H new ATOM 708 N ALA A 41 -2.636 0.666 -18.006 1.00 0.00 N ATOM 709 CA ALA A 41 -2.200 1.163 -19.304 1.00 0.00 C ATOM 710 C ALA A 41 -2.086 0.016 -20.325 1.00 0.00 C ATOM 711 O ALA A 41 -2.723 0.079 -21.372 1.00 0.00 O ATOM 712 CB ALA A 41 -0.885 1.927 -19.133 1.00 0.00 C ATOM 0 H ALA A 41 -1.955 0.808 -17.260 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.944 1.852 -19.703 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.553 2.302 -20.101 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.037 2.765 -18.452 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.127 1.259 -18.723 1.00 0.00 H new ATOM 718 N ALA A 42 -1.385 -1.077 -20.006 1.00 0.00 N ATOM 719 CA ALA A 42 -1.312 -2.271 -20.853 1.00 0.00 C ATOM 720 C ALA A 42 -2.685 -2.907 -21.136 1.00 0.00 C ATOM 721 O ALA A 42 -2.880 -3.494 -22.201 1.00 0.00 O ATOM 722 CB ALA A 42 -0.361 -3.289 -20.208 1.00 0.00 C ATOM 0 H ALA A 42 -0.847 -1.158 -19.143 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.928 -1.959 -21.824 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.303 -4.180 -20.834 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.631 -2.849 -20.110 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.735 -3.563 -19.222 1.00 0.00 H new ATOM 728 N GLN A 43 -3.645 -2.772 -20.215 1.00 0.00 N ATOM 729 CA GLN A 43 -5.005 -3.277 -20.414 1.00 0.00 C ATOM 730 C GLN A 43 -5.889 -2.375 -21.288 1.00 0.00 C ATOM 731 O GLN A 43 -6.811 -2.881 -21.931 1.00 0.00 O ATOM 732 CB GLN A 43 -5.674 -3.552 -19.054 1.00 0.00 C ATOM 733 CG GLN A 43 -5.070 -4.766 -18.323 1.00 0.00 C ATOM 734 CD GLN A 43 -5.209 -6.072 -19.105 1.00 0.00 C ATOM 735 OE1 GLN A 43 -6.208 -6.341 -19.756 1.00 0.00 O ATOM 736 NE2 GLN A 43 -4.205 -6.923 -19.106 1.00 0.00 N ATOM 0 H GLN A 43 -3.501 -2.312 -19.316 1.00 0.00 H new ATOM 0 HA GLN A 43 -4.905 -4.209 -20.970 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -5.577 -2.669 -18.422 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -6.740 -3.720 -19.207 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.014 -4.577 -18.130 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -5.557 -4.877 -17.354 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.362 -6.718 -18.570 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.270 -7.788 -19.643 1.00 0.00 H new ATOM 745 N LYS A 44 -5.579 -1.075 -21.384 1.00 0.00 N ATOM 746 CA LYS A 44 -6.354 -0.129 -22.213 1.00 0.00 C ATOM 747 C LYS A 44 -5.713 0.107 -23.577 1.00 0.00 C ATOM 748 O LYS A 44 -6.398 0.053 -24.598 1.00 0.00 O ATOM 749 CB LYS A 44 -6.553 1.192 -21.450 1.00 0.00 C ATOM 750 CG LYS A 44 -7.454 1.022 -20.211 1.00 0.00 C ATOM 751 CD LYS A 44 -7.635 2.309 -19.389 1.00 0.00 C ATOM 752 CE LYS A 44 -6.295 2.926 -18.964 1.00 0.00 C ATOM 753 NZ LYS A 44 -6.472 4.064 -18.031 1.00 0.00 N ATOM 0 H LYS A 44 -4.792 -0.648 -20.896 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.329 -0.575 -22.408 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.583 1.580 -21.140 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.994 1.932 -22.118 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.433 0.667 -20.532 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.030 0.250 -19.569 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.196 3.036 -19.976 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.228 2.089 -18.501 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.680 2.162 -18.489 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.756 3.265 -19.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.752 4.789 -18.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.419 4.474 -18.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.369 3.729 -17.052 1.00 0.00 H new ATOM 767 N LEU A 45 -4.392 0.276 -23.595 1.00 0.00 N ATOM 768 CA LEU A 45 -3.624 0.406 -24.840 1.00 0.00 C ATOM 769 C LEU A 45 -3.407 -0.937 -25.573 1.00 0.00 C ATOM 770 O LEU A 45 -2.722 -0.959 -26.597 1.00 0.00 O ATOM 771 CB LEU A 45 -2.276 1.116 -24.544 1.00 0.00 C ATOM 772 CG LEU A 45 -2.298 2.621 -24.182 1.00 0.00 C ATOM 773 CD1 LEU A 45 -3.159 3.441 -25.145 1.00 0.00 C ATOM 774 CD2 LEU A 45 -2.739 2.953 -22.758 1.00 0.00 C ATOM 0 H LEU A 45 -3.822 0.327 -22.751 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.215 1.014 -25.526 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.795 0.585 -23.723 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.638 0.995 -25.420 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.247 2.896 -24.269 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.141 4.489 -24.847 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.766 3.345 -26.157 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.185 3.074 -25.118 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.718 4.033 -22.613 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.752 2.585 -22.596 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.062 2.478 -22.048 1.00 0.00 H new ATOM 786 N GLY A 46 -3.986 -2.050 -25.095 1.00 0.00 N ATOM 787 CA GLY A 46 -3.993 -3.290 -25.893 1.00 0.00 C ATOM 788 C GLY A 46 -4.334 -4.614 -25.204 1.00 0.00 C ATOM 789 O GLY A 46 -3.994 -5.656 -25.758 1.00 0.00 O ATOM 0 H GLY A 46 -4.444 -2.120 -24.186 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.702 -3.152 -26.710 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.006 -3.398 -26.343 1.00 0.00 H new ATOM 793 N GLY A 47 -4.960 -4.607 -24.023 1.00 0.00 N ATOM 794 CA GLY A 47 -5.340 -5.845 -23.317 1.00 0.00 C ATOM 795 C GLY A 47 -4.198 -6.851 -23.146 1.00 0.00 C ATOM 796 O GLY A 47 -4.435 -8.055 -23.251 1.00 0.00 O ATOM 0 H GLY A 47 -5.218 -3.753 -23.529 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.728 -5.583 -22.333 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.153 -6.325 -23.862 1.00 0.00 H new ATOM 800 N TYR A 48 -2.975 -6.339 -22.946 1.00 0.00 N ATOM 801 CA TYR A 48 -1.731 -7.123 -23.042 1.00 0.00 C ATOM 802 C TYR A 48 -1.424 -7.739 -24.418 1.00 0.00 C ATOM 803 O TYR A 48 -0.296 -7.605 -24.899 1.00 0.00 O ATOM 804 CB TYR A 48 -1.598 -8.123 -21.877 1.00 0.00 C ATOM 805 CG TYR A 48 -0.415 -9.067 -21.997 1.00 0.00 C ATOM 806 CD1 TYR A 48 -0.548 -10.273 -22.717 1.00 0.00 C ATOM 807 CD2 TYR A 48 0.817 -8.738 -21.404 1.00 0.00 C ATOM 808 CE1 TYR A 48 0.554 -11.141 -22.854 1.00 0.00 C ATOM 809 CE2 TYR A 48 1.918 -9.607 -21.534 1.00 0.00 C ATOM 810 CZ TYR A 48 1.795 -10.805 -22.271 1.00 0.00 C ATOM 811 OH TYR A 48 2.876 -11.620 -22.421 1.00 0.00 O ATOM 0 H TYR A 48 -2.818 -5.359 -22.711 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.935 -6.386 -22.938 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.511 -7.566 -20.944 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.513 -8.712 -21.813 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.496 -10.532 -23.164 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.919 -7.818 -20.848 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.449 -12.064 -23.405 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.860 -9.356 -21.068 1.00 0.00 H new ATOM 0 HH TYR A 48 2.812 -12.094 -23.277 1.00 0.00 H new ATOM 821 N GLU A 49 -2.370 -8.373 -25.106 1.00 0.00 N ATOM 822 CA GLU A 49 -2.048 -9.141 -26.317 1.00 0.00 C ATOM 823 C GLU A 49 -1.813 -8.236 -27.528 1.00 0.00 C ATOM 824 O GLU A 49 -0.829 -8.404 -28.248 1.00 0.00 O ATOM 825 CB GLU A 49 -3.163 -10.151 -26.630 1.00 0.00 C ATOM 826 CG GLU A 49 -3.287 -11.242 -25.559 1.00 0.00 C ATOM 827 CD GLU A 49 -4.248 -12.355 -26.021 1.00 0.00 C ATOM 828 OE1 GLU A 49 -5.480 -12.226 -25.822 1.00 0.00 O ATOM 829 OE2 GLU A 49 -3.775 -13.370 -26.589 1.00 0.00 O ATOM 0 H GLU A 49 -3.358 -8.374 -24.853 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.120 -9.677 -26.116 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.113 -9.623 -26.717 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.967 -10.616 -27.596 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.305 -11.667 -25.350 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.650 -10.805 -24.629 1.00 0.00 H new ATOM 836 N THR A 50 -2.667 -7.231 -27.725 1.00 0.00 N ATOM 837 CA THR A 50 -2.561 -6.263 -28.820 1.00 0.00 C ATOM 838 C THR A 50 -1.457 -5.235 -28.555 1.00 0.00 C ATOM 839 O THR A 50 -0.911 -4.672 -29.504 1.00 0.00 O ATOM 840 CB THR A 50 -3.912 -5.566 -29.082 1.00 0.00 C ATOM 841 OG1 THR A 50 -4.963 -6.513 -29.083 1.00 0.00 O ATOM 842 CG2 THR A 50 -3.972 -4.873 -30.444 1.00 0.00 C ATOM 0 H THR A 50 -3.468 -7.063 -27.116 1.00 0.00 H new ATOM 0 HA THR A 50 -2.289 -6.817 -29.719 1.00 0.00 H new ATOM 0 HB THR A 50 -4.015 -4.829 -28.286 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.814 -6.057 -29.249 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.947 -4.401 -30.570 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.192 -4.114 -30.501 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.821 -5.609 -31.234 1.00 0.00 H new ATOM 850 N ILE A 51 -1.059 -4.997 -27.295 1.00 0.00 N ATOM 851 CA ILE A 51 0.108 -4.145 -27.004 1.00 0.00 C ATOM 852 C ILE A 51 1.427 -4.896 -27.243 1.00 0.00 C ATOM 853 O ILE A 51 2.372 -4.306 -27.774 1.00 0.00 O ATOM 854 CB ILE A 51 -0.014 -3.465 -25.621 1.00 0.00 C ATOM 855 CG1 ILE A 51 1.279 -2.734 -25.227 1.00 0.00 C ATOM 856 CG2 ILE A 51 -0.408 -4.428 -24.499 1.00 0.00 C ATOM 857 CD1 ILE A 51 1.043 -1.628 -24.203 1.00 0.00 C ATOM 0 H ILE A 51 -1.521 -5.377 -26.469 1.00 0.00 H new ATOM 0 HA ILE A 51 0.124 -3.320 -27.716 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.821 -2.742 -25.737 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.989 -3.454 -24.820 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.735 -2.306 -26.119 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.475 -3.882 -23.558 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.375 -4.877 -24.728 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.344 -5.212 -24.411 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.991 -1.147 -23.962 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.356 -0.890 -24.617 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.613 -2.056 -23.297 1.00 0.00 H new ATOM 869 N THR A 52 1.459 -6.204 -26.976 1.00 0.00 N ATOM 870 CA THR A 52 2.610 -7.056 -27.324 1.00 0.00 C ATOM 871 C THR A 52 2.725 -7.250 -28.839 1.00 0.00 C ATOM 872 O THR A 52 3.808 -7.082 -29.401 1.00 0.00 O ATOM 873 CB THR A 52 2.506 -8.417 -26.612 1.00 0.00 C ATOM 874 OG1 THR A 52 2.432 -8.215 -25.216 1.00 0.00 O ATOM 875 CG2 THR A 52 3.725 -9.307 -26.848 1.00 0.00 C ATOM 0 H THR A 52 0.697 -6.703 -26.517 1.00 0.00 H new ATOM 0 HA THR A 52 3.514 -6.550 -26.985 1.00 0.00 H new ATOM 0 HB THR A 52 1.618 -8.902 -27.017 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.519 -7.957 -24.971 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.593 -10.252 -26.321 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.834 -9.499 -27.915 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.619 -8.806 -26.476 1.00 0.00 H new ATOM 883 N ALA A 53 1.606 -7.535 -29.518 1.00 0.00 N ATOM 884 CA ALA A 53 1.601 -7.756 -30.968 1.00 0.00 C ATOM 885 C ALA A 53 1.851 -6.495 -31.827 1.00 0.00 C ATOM 886 O ALA A 53 2.086 -6.632 -33.032 1.00 0.00 O ATOM 887 CB ALA A 53 0.258 -8.400 -31.337 1.00 0.00 C ATOM 0 H ALA A 53 0.688 -7.618 -29.082 1.00 0.00 H new ATOM 0 HA ALA A 53 2.446 -8.406 -31.197 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.223 -8.578 -32.412 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.152 -9.348 -30.809 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.556 -7.733 -31.053 1.00 0.00 H new ATOM 893 N ARG A 54 1.803 -5.284 -31.239 1.00 0.00 N ATOM 894 CA ARG A 54 1.932 -4.018 -32.009 1.00 0.00 C ATOM 895 C ARG A 54 2.928 -2.993 -31.436 1.00 0.00 C ATOM 896 O ARG A 54 3.050 -1.903 -31.995 1.00 0.00 O ATOM 897 CB ARG A 54 0.543 -3.383 -32.228 1.00 0.00 C ATOM 898 CG ARG A 54 -0.451 -4.279 -32.982 1.00 0.00 C ATOM 899 CD ARG A 54 -1.736 -3.498 -33.278 1.00 0.00 C ATOM 900 NE ARG A 54 -2.727 -4.331 -33.985 1.00 0.00 N ATOM 901 CZ ARG A 54 -3.921 -3.946 -34.405 1.00 0.00 C ATOM 902 NH1 ARG A 54 -4.366 -2.734 -34.215 1.00 0.00 N ATOM 903 NH2 ARG A 54 -4.700 -4.779 -35.031 1.00 0.00 N ATOM 0 H ARG A 54 1.676 -5.149 -30.236 1.00 0.00 H new ATOM 0 HA ARG A 54 2.367 -4.307 -32.966 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.118 -3.125 -31.258 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.666 -2.451 -32.781 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.005 -4.629 -33.913 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.681 -5.163 -32.387 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.165 -3.135 -32.344 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.499 -2.622 -33.882 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.466 -5.300 -34.168 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.788 -2.049 -33.729 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.292 -2.472 -34.553 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.392 -5.736 -35.201 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.619 -4.475 -35.352 1.00 0.00 H new ATOM 917 N ARG A 55 3.655 -3.328 -30.359 1.00 0.00 N ATOM 918 CA ARG A 55 4.638 -2.464 -29.667 1.00 0.00 C ATOM 919 C ARG A 55 3.993 -1.154 -29.211 1.00 0.00 C ATOM 920 O ARG A 55 4.399 -0.060 -29.604 1.00 0.00 O ATOM 921 CB ARG A 55 5.923 -2.274 -30.504 1.00 0.00 C ATOM 922 CG ARG A 55 6.616 -3.599 -30.863 1.00 0.00 C ATOM 923 CD ARG A 55 7.936 -3.331 -31.595 1.00 0.00 C ATOM 924 NE ARG A 55 8.601 -4.587 -31.999 1.00 0.00 N ATOM 925 CZ ARG A 55 8.480 -5.225 -33.151 1.00 0.00 C ATOM 926 NH1 ARG A 55 7.701 -4.802 -34.108 1.00 0.00 N ATOM 927 NH2 ARG A 55 9.152 -6.320 -33.368 1.00 0.00 N ATOM 0 H ARG A 55 3.574 -4.247 -29.924 1.00 0.00 H new ATOM 0 HA ARG A 55 4.963 -2.970 -28.758 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.675 -1.741 -31.422 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.620 -1.646 -29.949 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.806 -4.175 -29.957 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.960 -4.201 -31.492 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.745 -2.720 -32.477 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.601 -2.759 -30.948 1.00 0.00 H new ATOM 0 HE ARG A 55 9.224 -5.010 -31.311 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.156 -3.949 -33.983 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.637 -5.324 -34.982 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.774 -6.688 -32.648 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.056 -6.809 -34.258 1.00 0.00 H new ATOM 941 N GLN A 56 2.970 -1.300 -28.361 1.00 0.00 N ATOM 942 CA GLN A 56 2.190 -0.143 -27.881 1.00 0.00 C ATOM 943 C GLN A 56 2.615 0.357 -26.486 1.00 0.00 C ATOM 944 O GLN A 56 1.965 1.227 -25.913 1.00 0.00 O ATOM 945 CB GLN A 56 0.674 -0.354 -28.031 1.00 0.00 C ATOM 946 CG GLN A 56 0.284 -0.553 -29.500 1.00 0.00 C ATOM 947 CD GLN A 56 -1.226 -0.674 -29.657 1.00 0.00 C ATOM 948 OE1 GLN A 56 -1.943 0.299 -29.848 1.00 0.00 O ATOM 949 NE2 GLN A 56 -1.765 -1.872 -29.589 1.00 0.00 N ATOM 0 H GLN A 56 2.661 -2.199 -27.991 1.00 0.00 H new ATOM 0 HA GLN A 56 2.441 0.682 -28.547 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.366 -1.223 -27.449 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.143 0.506 -27.624 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.648 0.286 -30.093 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.766 -1.450 -29.889 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.175 -2.689 -29.430 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.773 -1.984 -29.695 1.00 0.00 H new ATOM 958 N TRP A 57 3.736 -0.139 -25.953 1.00 0.00 N ATOM 959 CA TRP A 57 4.435 0.398 -24.762 1.00 0.00 C ATOM 960 C TRP A 57 4.703 1.907 -24.934 1.00 0.00 C ATOM 961 O TRP A 57 4.524 2.681 -23.998 1.00 0.00 O ATOM 962 CB TRP A 57 5.702 -0.438 -24.488 1.00 0.00 C ATOM 963 CG TRP A 57 5.511 -1.909 -24.745 1.00 0.00 C ATOM 964 CD1 TRP A 57 5.857 -2.572 -25.874 1.00 0.00 C ATOM 965 CD2 TRP A 57 4.797 -2.881 -23.921 1.00 0.00 C ATOM 966 NE1 TRP A 57 5.342 -3.857 -25.832 1.00 0.00 N ATOM 967 CE2 TRP A 57 4.640 -4.087 -24.667 1.00 0.00 C ATOM 968 CE3 TRP A 57 4.235 -2.852 -22.629 1.00 0.00 C ATOM 969 CZ2 TRP A 57 3.902 -5.178 -24.179 1.00 0.00 C ATOM 970 CZ3 TRP A 57 3.503 -3.942 -22.122 1.00 0.00 C ATOM 971 CH2 TRP A 57 3.322 -5.101 -22.900 1.00 0.00 C ATOM 0 H TRP A 57 4.205 -0.955 -26.347 1.00 0.00 H new ATOM 0 HA TRP A 57 3.806 0.309 -23.876 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.515 -0.069 -25.114 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.007 -0.294 -23.452 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.444 -2.162 -26.682 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.466 -4.548 -26.572 1.00 0.00 H new ATOM 0 HE3 TRP A 57 4.369 -1.974 -22.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.781 -6.067 -24.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 3.078 -3.889 -21.131 1.00 0.00 H new ATOM 0 HH2 TRP A 57 2.741 -5.927 -22.517 1.00 0.00 H new ATOM 982 N LYS A 58 4.954 2.376 -26.166 1.00 0.00 N ATOM 983 CA LYS A 58 5.013 3.812 -26.517 1.00 0.00 C ATOM 984 C LYS A 58 3.747 4.614 -26.151 1.00 0.00 C ATOM 985 O LYS A 58 3.836 5.818 -25.924 1.00 0.00 O ATOM 986 CB LYS A 58 5.333 3.975 -28.017 1.00 0.00 C ATOM 987 CG LYS A 58 6.588 3.232 -28.519 1.00 0.00 C ATOM 988 CD LYS A 58 7.843 3.509 -27.680 1.00 0.00 C ATOM 989 CE LYS A 58 9.094 2.955 -28.372 1.00 0.00 C ATOM 990 NZ LYS A 58 10.272 3.015 -27.473 1.00 0.00 N ATOM 0 H LYS A 58 5.125 1.762 -26.962 1.00 0.00 H new ATOM 0 HA LYS A 58 5.812 4.234 -25.908 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.474 3.629 -28.592 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.453 5.037 -28.231 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.390 2.160 -28.518 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.781 3.520 -29.552 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.953 4.582 -27.525 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.735 3.054 -26.695 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.918 1.924 -28.677 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.295 3.526 -29.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.136 2.829 -28.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.332 3.959 -27.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.175 2.298 -26.725 1.00 0.00 H new ATOM 1004 N HIS A 59 2.593 3.954 -26.021 1.00 0.00 N ATOM 1005 CA HIS A 59 1.361 4.586 -25.526 1.00 0.00 C ATOM 1006 C HIS A 59 1.135 4.365 -24.011 1.00 0.00 C ATOM 1007 O HIS A 59 0.334 5.075 -23.399 1.00 0.00 O ATOM 1008 CB HIS A 59 0.175 4.129 -26.383 1.00 0.00 C ATOM 1009 CG HIS A 59 0.340 4.463 -27.846 1.00 0.00 C ATOM 1010 ND1 HIS A 59 0.198 5.708 -28.420 1.00 0.00 N ATOM 1011 CD2 HIS A 59 0.696 3.599 -28.846 1.00 0.00 C ATOM 1012 CE1 HIS A 59 0.462 5.597 -29.733 1.00 0.00 C ATOM 1013 NE2 HIS A 59 0.774 4.324 -30.042 1.00 0.00 N ATOM 0 H HIS A 59 2.484 2.967 -26.255 1.00 0.00 H new ATOM 0 HA HIS A 59 1.463 5.666 -25.629 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.049 3.052 -26.274 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.737 4.596 -26.010 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.884 2.542 -28.733 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.429 6.413 -30.440 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.018 3.960 -30.963 1.00 0.00 H new ATOM 1021 N ILE A 60 1.860 3.440 -23.365 1.00 0.00 N ATOM 1022 CA ILE A 60 1.928 3.409 -21.895 1.00 0.00 C ATOM 1023 C ILE A 60 2.713 4.647 -21.464 1.00 0.00 C ATOM 1024 O ILE A 60 2.250 5.361 -20.588 1.00 0.00 O ATOM 1025 CB ILE A 60 2.566 2.123 -21.324 1.00 0.00 C ATOM 1026 CG1 ILE A 60 1.662 0.919 -21.660 1.00 0.00 C ATOM 1027 CG2 ILE A 60 2.831 2.262 -19.807 1.00 0.00 C ATOM 1028 CD1 ILE A 60 2.091 -0.379 -20.968 1.00 0.00 C ATOM 0 H ILE A 60 2.402 2.711 -23.830 1.00 0.00 H new ATOM 0 HA ILE A 60 0.914 3.410 -21.495 1.00 0.00 H new ATOM 0 HB ILE A 60 3.539 1.956 -21.787 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.637 1.153 -21.373 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.663 0.764 -22.739 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.280 1.343 -19.430 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.510 3.096 -19.631 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.890 2.445 -19.288 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.411 -1.183 -21.249 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.105 -0.637 -21.274 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.063 -0.242 -19.887 1.00 0.00 H new ATOM 1040 N TYR A 61 3.834 4.960 -22.129 1.00 0.00 N ATOM 1041 CA TYR A 61 4.553 6.232 -21.967 1.00 0.00 C ATOM 1042 C TYR A 61 3.623 7.457 -22.132 1.00 0.00 C ATOM 1043 O TYR A 61 3.716 8.418 -21.365 1.00 0.00 O ATOM 1044 CB TYR A 61 5.750 6.251 -22.937 1.00 0.00 C ATOM 1045 CG TYR A 61 6.286 7.629 -23.282 1.00 0.00 C ATOM 1046 CD1 TYR A 61 7.206 8.276 -22.435 1.00 0.00 C ATOM 1047 CD2 TYR A 61 5.837 8.273 -24.453 1.00 0.00 C ATOM 1048 CE1 TYR A 61 7.668 9.568 -22.757 1.00 0.00 C ATOM 1049 CE2 TYR A 61 6.297 9.562 -24.778 1.00 0.00 C ATOM 1050 CZ TYR A 61 7.213 10.216 -23.927 1.00 0.00 C ATOM 1051 OH TYR A 61 7.658 11.462 -24.241 1.00 0.00 O ATOM 0 H TYR A 61 4.272 4.331 -22.802 1.00 0.00 H new ATOM 0 HA TYR A 61 4.931 6.305 -20.947 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.558 5.664 -22.501 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.456 5.752 -23.861 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.557 7.783 -21.540 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.135 7.774 -25.105 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.373 10.065 -22.107 1.00 0.00 H new ATOM 0 HE2 TYR A 61 5.950 10.050 -25.677 1.00 0.00 H new ATOM 0 HH TYR A 61 8.287 11.767 -23.555 1.00 0.00 H new ATOM 1061 N ASP A 62 2.681 7.382 -23.080 1.00 0.00 N ATOM 1062 CA ASP A 62 1.613 8.388 -23.212 1.00 0.00 C ATOM 1063 C ASP A 62 0.735 8.490 -21.944 1.00 0.00 C ATOM 1064 O ASP A 62 0.557 9.587 -21.410 1.00 0.00 O ATOM 1065 CB ASP A 62 0.783 8.188 -24.486 1.00 0.00 C ATOM 1066 CG ASP A 62 -0.132 9.397 -24.742 1.00 0.00 C ATOM 1067 OD1 ASP A 62 0.371 10.448 -25.208 1.00 0.00 O ATOM 1068 OD2 ASP A 62 -1.357 9.297 -24.497 1.00 0.00 O ATOM 0 H ASP A 62 2.634 6.633 -23.771 1.00 0.00 H new ATOM 0 HA ASP A 62 2.109 9.353 -23.314 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.447 8.043 -25.338 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.181 7.284 -24.394 1.00 0.00 H new ATOM 1073 N GLU A 63 0.259 7.360 -21.406 1.00 0.00 N ATOM 1074 CA GLU A 63 -0.433 7.335 -20.101 1.00 0.00 C ATOM 1075 C GLU A 63 0.437 7.807 -18.905 1.00 0.00 C ATOM 1076 O GLU A 63 -0.087 8.453 -17.993 1.00 0.00 O ATOM 1077 CB GLU A 63 -1.007 5.922 -19.858 1.00 0.00 C ATOM 1078 CG GLU A 63 -1.856 5.742 -18.588 1.00 0.00 C ATOM 1079 CD GLU A 63 -3.258 6.380 -18.671 1.00 0.00 C ATOM 1080 OE1 GLU A 63 -3.385 7.606 -18.897 1.00 0.00 O ATOM 1081 OE2 GLU A 63 -4.257 5.645 -18.475 1.00 0.00 O ATOM 0 H GLU A 63 0.338 6.446 -21.852 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.241 8.065 -20.156 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.616 5.647 -20.719 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.176 5.217 -19.817 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.965 4.677 -18.385 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.321 6.175 -17.742 1.00 0.00 H new ATOM 1088 N LEU A 64 1.756 7.545 -18.892 1.00 0.00 N ATOM 1089 CA LEU A 64 2.671 8.015 -17.833 1.00 0.00 C ATOM 1090 C LEU A 64 2.766 9.550 -17.756 1.00 0.00 C ATOM 1091 O LEU A 64 3.049 10.095 -16.686 1.00 0.00 O ATOM 1092 CB LEU A 64 4.108 7.461 -18.004 1.00 0.00 C ATOM 1093 CG LEU A 64 4.305 5.938 -18.017 1.00 0.00 C ATOM 1094 CD1 LEU A 64 5.793 5.614 -18.084 1.00 0.00 C ATOM 1095 CD2 LEU A 64 3.690 5.231 -16.808 1.00 0.00 C ATOM 0 H LEU A 64 2.220 6.999 -19.618 1.00 0.00 H new ATOM 0 HA LEU A 64 2.233 7.634 -16.910 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.507 7.856 -18.938 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.719 7.868 -17.199 1.00 0.00 H new ATOM 0 HG LEU A 64 3.784 5.567 -18.900 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.930 4.533 -18.093 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.218 6.041 -18.992 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.297 6.036 -17.214 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.868 4.158 -16.884 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.146 5.610 -15.894 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.617 5.420 -16.783 1.00 0.00 H new ATOM 1107 N GLY A 65 2.567 10.242 -18.885 1.00 0.00 N ATOM 1108 CA GLY A 65 2.821 11.686 -18.977 1.00 0.00 C ATOM 1109 C GLY A 65 4.291 12.059 -18.726 1.00 0.00 C ATOM 1110 O GLY A 65 4.569 13.082 -18.094 1.00 0.00 O ATOM 0 H GLY A 65 2.229 9.823 -19.751 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.527 12.038 -19.966 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.192 12.206 -18.254 1.00 0.00 H new ATOM 1114 N GLY A 66 5.225 11.200 -19.163 1.00 0.00 N ATOM 1115 CA GLY A 66 6.657 11.385 -18.903 1.00 0.00 C ATOM 1116 C GLY A 66 7.302 12.563 -19.649 1.00 0.00 C ATOM 1117 O GLY A 66 6.683 13.225 -20.488 1.00 0.00 O ATOM 0 H GLY A 66 5.008 10.363 -19.704 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.802 11.529 -17.832 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.182 10.470 -19.175 1.00 0.00 H new ATOM 1121 N ASN A 67 8.577 12.814 -19.341 1.00 0.00 N ATOM 1122 CA ASN A 67 9.422 13.797 -20.027 1.00 0.00 C ATOM 1123 C ASN A 67 9.512 13.506 -21.551 1.00 0.00 C ATOM 1124 O ASN A 67 9.563 12.329 -21.920 1.00 0.00 O ATOM 1125 CB ASN A 67 10.799 13.750 -19.344 1.00 0.00 C ATOM 1126 CG ASN A 67 11.826 14.673 -19.979 1.00 0.00 C ATOM 1127 OD1 ASN A 67 12.386 14.390 -21.028 1.00 0.00 O ATOM 1128 ND2 ASN A 67 12.094 15.813 -19.384 1.00 0.00 N ATOM 0 H ASN A 67 9.063 12.327 -18.588 1.00 0.00 H new ATOM 0 HA ASN A 67 8.997 14.798 -19.950 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.683 14.017 -18.294 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.175 12.727 -19.373 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.767 16.458 -19.797 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.629 16.053 -18.509 1.00 0.00 H new ATOM 1135 N PRO A 68 9.580 14.530 -22.434 1.00 0.00 N ATOM 1136 CA PRO A 68 9.694 14.372 -23.892 1.00 0.00 C ATOM 1137 C PRO A 68 10.772 13.410 -24.428 1.00 0.00 C ATOM 1138 O PRO A 68 10.651 12.950 -25.566 1.00 0.00 O ATOM 1139 CB PRO A 68 9.912 15.784 -24.441 1.00 0.00 C ATOM 1140 CG PRO A 68 9.176 16.663 -23.437 1.00 0.00 C ATOM 1141 CD PRO A 68 9.421 15.946 -22.111 1.00 0.00 C ATOM 0 HA PRO A 68 8.779 13.887 -24.233 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.971 16.036 -24.497 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.505 15.893 -25.446 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.570 17.679 -23.425 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.113 16.735 -23.667 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.312 16.335 -21.618 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.586 16.097 -21.427 1.00 0.00 H new ATOM 1149 N GLY A 69 11.804 13.096 -23.635 1.00 0.00 N ATOM 1150 CA GLY A 69 12.824 12.100 -23.999 1.00 0.00 C ATOM 1151 C GLY A 69 12.946 10.967 -22.971 1.00 0.00 C ATOM 1152 O GLY A 69 14.056 10.586 -22.590 1.00 0.00 O ATOM 0 H GLY A 69 11.957 13.525 -22.722 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.579 11.676 -24.973 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.789 12.596 -24.101 1.00 0.00 H new ATOM 1156 N SER A 70 11.795 10.419 -22.563 1.00 0.00 N ATOM 1157 CA SER A 70 11.740 9.169 -21.769 1.00 0.00 C ATOM 1158 C SER A 70 10.998 8.077 -22.564 1.00 0.00 C ATOM 1159 O SER A 70 10.421 7.145 -22.005 1.00 0.00 O ATOM 1160 CB SER A 70 11.077 9.414 -20.405 1.00 0.00 C ATOM 1161 OG SER A 70 11.872 10.274 -19.606 1.00 0.00 O ATOM 0 H SER A 70 10.879 10.819 -22.768 1.00 0.00 H new ATOM 0 HA SER A 70 12.757 8.827 -21.579 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.090 9.853 -20.549 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.931 8.464 -19.891 1.00 0.00 H new ATOM 0 HG SER A 70 11.431 10.418 -18.743 1.00 0.00 H new ATOM 1167 N THR A 71 11.014 8.212 -23.893 1.00 0.00 N ATOM 1168 CA THR A 71 10.256 7.484 -24.926 1.00 0.00 C ATOM 1169 C THR A 71 10.511 5.972 -25.028 1.00 0.00 C ATOM 1170 O THR A 71 9.860 5.301 -25.831 1.00 0.00 O ATOM 1171 CB THR A 71 10.531 8.149 -26.291 1.00 0.00 C ATOM 1172 OG1 THR A 71 11.918 8.367 -26.466 1.00 0.00 O ATOM 1173 CG2 THR A 71 9.839 9.507 -26.407 1.00 0.00 C ATOM 0 H THR A 71 11.623 8.909 -24.322 1.00 0.00 H new ATOM 0 HA THR A 71 9.212 7.556 -24.622 1.00 0.00 H new ATOM 0 HB THR A 71 10.143 7.471 -27.051 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.076 8.788 -27.337 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.056 9.944 -27.382 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.762 9.377 -26.299 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.205 10.170 -25.623 1.00 0.00 H new ATOM 1181 N SER A 72 11.402 5.405 -24.207 1.00 0.00 N ATOM 1182 CA SER A 72 11.654 3.953 -24.102 1.00 0.00 C ATOM 1183 C SER A 72 11.563 3.405 -22.670 1.00 0.00 C ATOM 1184 O SER A 72 11.690 2.200 -22.474 1.00 0.00 O ATOM 1185 CB SER A 72 12.992 3.588 -24.758 1.00 0.00 C ATOM 1186 OG SER A 72 12.917 3.814 -26.159 1.00 0.00 O ATOM 0 H SER A 72 11.987 5.954 -23.577 1.00 0.00 H new ATOM 0 HA SER A 72 10.846 3.465 -24.647 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.795 4.186 -24.326 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.231 2.543 -24.561 1.00 0.00 H new ATOM 0 HG SER A 72 13.774 3.581 -26.574 1.00 0.00 H new ATOM 1192 N ALA A 73 11.276 4.238 -21.667 1.00 0.00 N ATOM 1193 CA ALA A 73 10.997 3.752 -20.308 1.00 0.00 C ATOM 1194 C ALA A 73 9.878 2.689 -20.246 1.00 0.00 C ATOM 1195 O ALA A 73 10.019 1.681 -19.558 1.00 0.00 O ATOM 1196 CB ALA A 73 10.674 4.969 -19.432 1.00 0.00 C ATOM 0 H ALA A 73 11.230 5.252 -21.767 1.00 0.00 H new ATOM 0 HA ALA A 73 11.881 3.235 -19.936 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.462 4.639 -18.415 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.527 5.648 -19.423 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.803 5.486 -19.835 1.00 0.00 H new ATOM 1202 N ALA A 74 8.803 2.855 -21.024 1.00 0.00 N ATOM 1203 CA ALA A 74 7.768 1.833 -21.235 1.00 0.00 C ATOM 1204 C ALA A 74 8.288 0.560 -21.939 1.00 0.00 C ATOM 1205 O ALA A 74 7.877 -0.553 -21.607 1.00 0.00 O ATOM 1206 CB ALA A 74 6.639 2.484 -22.016 1.00 0.00 C ATOM 0 H ALA A 74 8.623 3.719 -21.535 1.00 0.00 H new ATOM 0 HA ALA A 74 7.418 1.481 -20.265 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.850 1.753 -22.192 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.237 3.321 -21.445 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.019 2.845 -22.972 1.00 0.00 H new ATOM 1212 N THR A 75 9.230 0.713 -22.871 1.00 0.00 N ATOM 1213 CA THR A 75 9.889 -0.427 -23.532 1.00 0.00 C ATOM 1214 C THR A 75 10.749 -1.232 -22.546 1.00 0.00 C ATOM 1215 O THR A 75 10.642 -2.457 -22.488 1.00 0.00 O ATOM 1216 CB THR A 75 10.736 0.095 -24.707 1.00 0.00 C ATOM 1217 OG1 THR A 75 9.926 0.870 -25.572 1.00 0.00 O ATOM 1218 CG2 THR A 75 11.350 -1.016 -25.556 1.00 0.00 C ATOM 0 H THR A 75 9.560 1.623 -23.191 1.00 0.00 H new ATOM 0 HA THR A 75 9.125 -1.106 -23.910 1.00 0.00 H new ATOM 0 HB THR A 75 11.541 0.675 -24.256 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.926 0.469 -26.466 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.933 -0.576 -26.365 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.000 -1.632 -24.934 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.556 -1.634 -25.976 1.00 0.00 H new ATOM 1226 N CYS A 76 11.536 -0.562 -21.697 1.00 0.00 N ATOM 1227 CA CYS A 76 12.271 -1.182 -20.585 1.00 0.00 C ATOM 1228 C CYS A 76 11.334 -1.772 -19.515 1.00 0.00 C ATOM 1229 O CYS A 76 11.622 -2.834 -18.958 1.00 0.00 O ATOM 1230 CB CYS A 76 13.203 -0.130 -19.965 1.00 0.00 C ATOM 1231 SG CYS A 76 14.454 0.400 -21.174 1.00 0.00 S ATOM 0 H CYS A 76 11.684 0.445 -21.763 1.00 0.00 H new ATOM 0 HA CYS A 76 12.850 -2.017 -20.980 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.621 0.730 -19.633 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.692 -0.543 -19.083 1.00 0.00 H new ATOM 0 HG CYS A 76 15.231 1.291 -20.633 1.00 0.00 H new ATOM 1237 N THR A 77 10.186 -1.125 -19.282 1.00 0.00 N ATOM 1238 CA THR A 77 9.144 -1.643 -18.377 1.00 0.00 C ATOM 1239 C THR A 77 8.588 -2.994 -18.811 1.00 0.00 C ATOM 1240 O THR A 77 8.200 -3.773 -17.944 1.00 0.00 O ATOM 1241 CB THR A 77 8.012 -0.616 -18.212 1.00 0.00 C ATOM 1242 OG1 THR A 77 8.535 0.493 -17.525 1.00 0.00 O ATOM 1243 CG2 THR A 77 6.807 -1.077 -17.397 1.00 0.00 C ATOM 0 H THR A 77 9.950 -0.231 -19.712 1.00 0.00 H new ATOM 0 HA THR A 77 9.625 -1.805 -17.412 1.00 0.00 H new ATOM 0 HB THR A 77 7.660 -0.416 -19.224 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.096 1.019 -18.132 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.073 -0.273 -17.347 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.358 -1.949 -17.873 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.128 -1.339 -16.389 1.00 0.00 H new ATOM 1251 N ARG A 78 8.620 -3.349 -20.106 1.00 0.00 N ATOM 1252 CA ARG A 78 8.181 -4.670 -20.571 1.00 0.00 C ATOM 1253 C ARG A 78 9.047 -5.766 -19.956 1.00 0.00 C ATOM 1254 O ARG A 78 8.543 -6.845 -19.654 1.00 0.00 O ATOM 1255 CB ARG A 78 8.206 -4.705 -22.115 1.00 0.00 C ATOM 1256 CG ARG A 78 7.048 -5.492 -22.748 1.00 0.00 C ATOM 1257 CD ARG A 78 7.089 -7.014 -22.579 1.00 0.00 C ATOM 1258 NE ARG A 78 5.897 -7.646 -23.177 1.00 0.00 N ATOM 1259 CZ ARG A 78 5.574 -8.924 -23.103 1.00 0.00 C ATOM 1260 NH1 ARG A 78 6.365 -9.819 -22.592 1.00 0.00 N ATOM 1261 NH2 ARG A 78 4.430 -9.349 -23.542 1.00 0.00 N ATOM 0 H ARG A 78 8.948 -2.734 -20.851 1.00 0.00 H new ATOM 0 HA ARG A 78 7.157 -4.855 -20.246 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.183 -3.682 -22.490 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.149 -5.143 -22.442 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.113 -5.126 -22.324 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.024 -5.267 -23.814 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.989 -7.411 -23.048 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.145 -7.264 -21.520 1.00 0.00 H new ATOM 0 HE ARG A 78 5.263 -7.038 -23.696 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.277 -9.545 -22.227 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.074 -10.796 -22.555 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.765 -8.693 -23.952 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.195 -10.340 -23.478 1.00 0.00 H new ATOM 1275 N ARG A 79 10.325 -5.477 -19.671 1.00 0.00 N ATOM 1276 CA ARG A 79 11.205 -6.442 -19.006 1.00 0.00 C ATOM 1277 C ARG A 79 10.823 -6.637 -17.540 1.00 0.00 C ATOM 1278 O ARG A 79 10.797 -7.760 -17.043 1.00 0.00 O ATOM 1279 CB ARG A 79 12.679 -5.989 -19.065 1.00 0.00 C ATOM 1280 CG ARG A 79 13.174 -5.400 -20.403 1.00 0.00 C ATOM 1281 CD ARG A 79 14.557 -4.746 -20.253 1.00 0.00 C ATOM 1282 NE ARG A 79 14.556 -3.673 -19.231 1.00 0.00 N ATOM 1283 CZ ARG A 79 15.598 -2.987 -18.802 1.00 0.00 C ATOM 1284 NH1 ARG A 79 16.759 -3.051 -19.389 1.00 0.00 N ATOM 1285 NH2 ARG A 79 15.491 -2.219 -17.758 1.00 0.00 N ATOM 0 H ARG A 79 10.769 -4.585 -19.891 1.00 0.00 H new ATOM 0 HA ARG A 79 11.085 -7.384 -19.541 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.836 -5.242 -18.287 1.00 0.00 H new ATOM 0 HB3 ARG A 79 13.307 -6.845 -18.818 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.223 -6.189 -21.153 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.458 -4.661 -20.764 1.00 0.00 H new ATOM 0 HD2 ARG A 79 15.290 -5.506 -19.980 1.00 0.00 H new ATOM 0 HD3 ARG A 79 14.868 -4.333 -21.212 1.00 0.00 H new ATOM 0 HE ARG A 79 13.654 -3.440 -18.815 1.00 0.00 H new ATOM 0 HH11 ARG A 79 16.884 -3.646 -20.208 1.00 0.00 H new ATOM 0 HH12 ARG A 79 17.543 -2.506 -19.030 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.599 -2.146 -17.268 1.00 0.00 H new ATOM 0 HH22 ARG A 79 16.299 -1.690 -17.429 1.00 0.00 H new ATOM 1299 N HIS A 80 10.511 -5.535 -16.856 1.00 0.00 N ATOM 1300 CA HIS A 80 10.087 -5.533 -15.454 1.00 0.00 C ATOM 1301 C HIS A 80 8.737 -6.256 -15.310 1.00 0.00 C ATOM 1302 O HIS A 80 8.599 -7.163 -14.494 1.00 0.00 O ATOM 1303 CB HIS A 80 10.027 -4.082 -14.933 1.00 0.00 C ATOM 1304 CG HIS A 80 11.230 -3.213 -15.255 1.00 0.00 C ATOM 1305 ND1 HIS A 80 11.221 -1.840 -15.371 1.00 0.00 N ATOM 1306 CD2 HIS A 80 12.524 -3.617 -15.478 1.00 0.00 C ATOM 1307 CE1 HIS A 80 12.463 -1.426 -15.670 1.00 0.00 C ATOM 1308 NE2 HIS A 80 13.294 -2.481 -15.769 1.00 0.00 N ATOM 0 H HIS A 80 10.546 -4.602 -17.268 1.00 0.00 H new ATOM 0 HA HIS A 80 10.812 -6.075 -14.846 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.138 -3.605 -15.344 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.902 -4.110 -13.851 1.00 0.00 H new ATOM 0 HD1 HIS A 80 10.406 -1.238 -15.250 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.886 -4.634 -15.436 1.00 0.00 H new ATOM 0 HE1 HIS A 80 12.754 -0.395 -15.811 1.00 0.00 H new ATOM 1316 N TYR A 81 7.773 -5.940 -16.181 1.00 0.00 N ATOM 1317 CA TYR A 81 6.436 -6.539 -16.270 1.00 0.00 C ATOM 1318 C TYR A 81 6.464 -8.074 -16.357 1.00 0.00 C ATOM 1319 O TYR A 81 5.634 -8.734 -15.729 1.00 0.00 O ATOM 1320 CB TYR A 81 5.741 -5.921 -17.499 1.00 0.00 C ATOM 1321 CG TYR A 81 4.257 -6.192 -17.678 1.00 0.00 C ATOM 1322 CD1 TYR A 81 3.803 -7.454 -18.115 1.00 0.00 C ATOM 1323 CD2 TYR A 81 3.330 -5.146 -17.486 1.00 0.00 C ATOM 1324 CE1 TYR A 81 2.430 -7.676 -18.333 1.00 0.00 C ATOM 1325 CE2 TYR A 81 1.960 -5.355 -17.732 1.00 0.00 C ATOM 1326 CZ TYR A 81 1.505 -6.624 -18.154 1.00 0.00 C ATOM 1327 OH TYR A 81 0.184 -6.834 -18.404 1.00 0.00 O ATOM 0 H TYR A 81 7.913 -5.216 -16.885 1.00 0.00 H new ATOM 0 HA TYR A 81 5.885 -6.321 -15.355 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.883 -4.841 -17.457 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.257 -6.276 -18.391 1.00 0.00 H new ATOM 0 HD1 TYR A 81 4.511 -8.252 -18.283 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.674 -4.179 -17.148 1.00 0.00 H new ATOM 0 HE1 TYR A 81 2.084 -8.652 -18.638 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.257 -4.546 -17.598 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.317 -6.010 -18.231 1.00 0.00 H new ATOM 1337 N GLU A 82 7.447 -8.660 -17.056 1.00 0.00 N ATOM 1338 CA GLU A 82 7.596 -10.108 -17.252 1.00 0.00 C ATOM 1339 C GLU A 82 7.902 -10.858 -15.952 1.00 0.00 C ATOM 1340 O GLU A 82 7.736 -12.080 -15.909 1.00 0.00 O ATOM 1341 CB GLU A 82 8.689 -10.388 -18.298 1.00 0.00 C ATOM 1342 CG GLU A 82 8.167 -10.192 -19.727 1.00 0.00 C ATOM 1343 CD GLU A 82 9.285 -10.160 -20.789 1.00 0.00 C ATOM 1344 OE1 GLU A 82 10.379 -10.739 -20.582 1.00 0.00 O ATOM 1345 OE2 GLU A 82 9.036 -9.590 -21.878 1.00 0.00 O ATOM 0 H GLU A 82 8.182 -8.122 -17.514 1.00 0.00 H new ATOM 0 HA GLU A 82 6.637 -10.481 -17.611 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.537 -9.725 -18.126 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.053 -11.408 -18.180 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.472 -10.997 -19.966 1.00 0.00 H new ATOM 0 HG3 GLU A 82 7.603 -9.260 -19.775 1.00 0.00 H new ATOM 1352 N ARG A 83 8.284 -10.131 -14.888 1.00 0.00 N ATOM 1353 CA ARG A 83 8.423 -10.709 -13.544 1.00 0.00 C ATOM 1354 C ARG A 83 7.609 -10.009 -12.453 1.00 0.00 C ATOM 1355 O ARG A 83 7.323 -10.638 -11.437 1.00 0.00 O ATOM 1356 CB ARG A 83 9.910 -10.788 -13.141 1.00 0.00 C ATOM 1357 CG ARG A 83 10.767 -11.828 -13.888 1.00 0.00 C ATOM 1358 CD ARG A 83 10.427 -13.289 -13.544 1.00 0.00 C ATOM 1359 NE ARG A 83 9.246 -13.764 -14.282 1.00 0.00 N ATOM 1360 CZ ARG A 83 8.558 -14.871 -14.097 1.00 0.00 C ATOM 1361 NH1 ARG A 83 8.903 -15.774 -13.224 1.00 0.00 N ATOM 1362 NH2 ARG A 83 7.488 -15.072 -14.809 1.00 0.00 N ATOM 0 H ARG A 83 8.503 -9.136 -14.936 1.00 0.00 H new ATOM 0 HA ARG A 83 8.000 -11.711 -13.619 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.357 -9.805 -13.291 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.964 -11.004 -12.074 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.644 -11.681 -14.961 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.818 -11.648 -13.660 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.281 -13.925 -13.777 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.246 -13.377 -12.473 1.00 0.00 H new ATOM 0 HE ARG A 83 8.918 -13.157 -15.034 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.736 -15.637 -12.651 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.340 -16.618 -13.113 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.195 -14.378 -15.497 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.942 -15.924 -14.680 1.00 0.00 H new ATOM 1376 N LEU A 84 7.205 -8.751 -12.651 1.00 0.00 N ATOM 1377 CA LEU A 84 6.489 -7.988 -11.623 1.00 0.00 C ATOM 1378 C LEU A 84 4.968 -8.102 -11.735 1.00 0.00 C ATOM 1379 O LEU A 84 4.283 -7.770 -10.771 1.00 0.00 O ATOM 1380 CB LEU A 84 6.953 -6.520 -11.624 1.00 0.00 C ATOM 1381 CG LEU A 84 8.153 -6.284 -10.694 1.00 0.00 C ATOM 1382 CD1 LEU A 84 9.394 -7.101 -11.053 1.00 0.00 C ATOM 1383 CD2 LEU A 84 8.525 -4.803 -10.703 1.00 0.00 C ATOM 0 H LEU A 84 7.362 -8.237 -13.518 1.00 0.00 H new ATOM 0 HA LEU A 84 6.744 -8.433 -10.661 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.221 -6.227 -12.639 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.126 -5.880 -11.315 1.00 0.00 H new ATOM 0 HG LEU A 84 7.832 -6.613 -9.706 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.194 -6.876 -10.348 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.156 -8.164 -11.005 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.717 -6.847 -12.062 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.376 -4.638 -10.043 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.788 -4.500 -11.717 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.677 -4.213 -10.356 1.00 0.00 H new ATOM 1395 N ILE A 85 4.420 -8.592 -12.854 1.00 0.00 N ATOM 1396 CA ILE A 85 2.980 -8.868 -12.948 1.00 0.00 C ATOM 1397 C ILE A 85 2.592 -9.995 -13.900 1.00 0.00 C ATOM 1398 O ILE A 85 1.579 -10.627 -13.638 1.00 0.00 O ATOM 1399 CB ILE A 85 2.224 -7.563 -13.270 1.00 0.00 C ATOM 1400 CG1 ILE A 85 0.774 -7.678 -12.767 1.00 0.00 C ATOM 1401 CG2 ILE A 85 2.309 -7.205 -14.765 1.00 0.00 C ATOM 1402 CD1 ILE A 85 -0.002 -6.363 -12.824 1.00 0.00 C ATOM 0 H ILE A 85 4.947 -8.804 -13.701 1.00 0.00 H new ATOM 0 HA ILE A 85 2.680 -9.244 -11.970 1.00 0.00 H new ATOM 0 HB ILE A 85 2.701 -6.735 -12.746 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.250 -8.425 -13.363 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.783 -8.040 -11.739 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.764 -6.279 -14.949 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.353 -7.073 -15.049 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.871 -8.008 -15.357 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.015 -6.522 -12.454 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.498 -5.618 -12.205 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.043 -6.009 -13.854 1.00 0.00 H new ATOM 1414 N LEU A 86 3.385 -10.347 -14.916 1.00 0.00 N ATOM 1415 CA LEU A 86 3.137 -11.534 -15.748 1.00 0.00 C ATOM 1416 C LEU A 86 2.974 -12.871 -14.970 1.00 0.00 C ATOM 1417 O LEU A 86 2.330 -13.774 -15.514 1.00 0.00 O ATOM 1418 CB LEU A 86 4.205 -11.593 -16.853 1.00 0.00 C ATOM 1419 CG LEU A 86 3.933 -12.579 -18.007 1.00 0.00 C ATOM 1420 CD1 LEU A 86 2.615 -12.299 -18.734 1.00 0.00 C ATOM 1421 CD2 LEU A 86 5.063 -12.487 -19.032 1.00 0.00 C ATOM 0 H LEU A 86 4.216 -9.820 -15.187 1.00 0.00 H new ATOM 0 HA LEU A 86 2.152 -11.416 -16.199 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.318 -10.594 -17.275 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.159 -11.856 -16.395 1.00 0.00 H new ATOM 0 HG LEU A 86 3.871 -13.571 -17.560 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.480 -13.026 -19.535 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.787 -12.377 -18.029 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.638 -11.294 -19.156 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.872 -13.184 -19.848 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.115 -11.472 -19.426 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.009 -12.740 -18.554 1.00 0.00 H new ATOM 1433 N PRO A 87 3.503 -13.065 -13.737 1.00 0.00 N ATOM 1434 CA PRO A 87 3.125 -14.211 -12.897 1.00 0.00 C ATOM 1435 C PRO A 87 1.837 -13.992 -12.060 1.00 0.00 C ATOM 1436 O PRO A 87 1.319 -14.964 -11.511 1.00 0.00 O ATOM 1437 CB PRO A 87 4.337 -14.473 -11.998 1.00 0.00 C ATOM 1438 CG PRO A 87 4.952 -13.089 -11.829 1.00 0.00 C ATOM 1439 CD PRO A 87 4.715 -12.445 -13.193 1.00 0.00 C ATOM 0 HA PRO A 87 2.877 -15.064 -13.529 1.00 0.00 H new ATOM 0 HB2 PRO A 87 4.042 -14.902 -11.040 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.036 -15.171 -12.458 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.471 -12.528 -11.028 1.00 0.00 H new ATOM 0 HG3 PRO A 87 6.013 -13.145 -11.587 1.00 0.00 H new ATOM 0 HD2 PRO A 87 4.590 -11.366 -13.097 1.00 0.00 H new ATOM 0 HD3 PRO A 87 5.566 -12.610 -13.854 1.00 0.00 H new ATOM 1447 N TYR A 88 1.316 -12.756 -11.965 1.00 0.00 N ATOM 1448 CA TYR A 88 0.153 -12.432 -11.113 1.00 0.00 C ATOM 1449 C TYR A 88 -1.117 -12.049 -11.892 1.00 0.00 C ATOM 1450 O TYR A 88 -2.134 -12.702 -11.687 1.00 0.00 O ATOM 1451 CB TYR A 88 0.537 -11.349 -10.086 1.00 0.00 C ATOM 1452 CG TYR A 88 0.861 -11.879 -8.696 1.00 0.00 C ATOM 1453 CD1 TYR A 88 1.856 -12.862 -8.513 1.00 0.00 C ATOM 1454 CD2 TYR A 88 0.165 -11.383 -7.577 1.00 0.00 C ATOM 1455 CE1 TYR A 88 2.160 -13.338 -7.222 1.00 0.00 C ATOM 1456 CE2 TYR A 88 0.463 -11.856 -6.284 1.00 0.00 C ATOM 1457 CZ TYR A 88 1.463 -12.833 -6.100 1.00 0.00 C ATOM 1458 OH TYR A 88 1.749 -13.282 -4.848 1.00 0.00 O ATOM 0 H TYR A 88 1.687 -11.954 -12.474 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.111 -13.351 -10.590 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.401 -10.801 -10.462 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.283 -10.636 -10.006 1.00 0.00 H new ATOM 0 HD1 TYR A 88 2.388 -13.252 -9.368 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.602 -10.635 -7.711 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.925 -14.088 -7.089 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.076 -11.469 -5.432 1.00 0.00 H new ATOM 0 HH TYR A 88 1.175 -12.826 -4.198 1.00 0.00 H new ATOM 1468 N GLU A 89 -1.100 -11.110 -12.854 1.00 0.00 N ATOM 1469 CA GLU A 89 -2.261 -10.893 -13.758 1.00 0.00 C ATOM 1470 C GLU A 89 -2.644 -12.160 -14.556 1.00 0.00 C ATOM 1471 O GLU A 89 -3.761 -12.287 -15.063 1.00 0.00 O ATOM 1472 CB GLU A 89 -2.122 -9.631 -14.631 1.00 0.00 C ATOM 1473 CG GLU A 89 -0.977 -9.577 -15.652 1.00 0.00 C ATOM 1474 CD GLU A 89 -1.237 -10.401 -16.916 1.00 0.00 C ATOM 1475 OE1 GLU A 89 -1.947 -9.929 -17.834 1.00 0.00 O ATOM 1476 OE2 GLU A 89 -0.674 -11.509 -17.046 1.00 0.00 O ATOM 0 H GLU A 89 -0.308 -10.492 -13.031 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.113 -10.693 -13.108 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.058 -9.497 -15.173 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.014 -8.775 -13.964 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.804 -8.539 -15.935 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.063 -9.935 -15.178 1.00 0.00 H new ATOM 1483 N ARG A 90 -1.736 -13.143 -14.546 1.00 0.00 N ATOM 1484 CA ARG A 90 -2.021 -14.503 -15.010 1.00 0.00 C ATOM 1485 C ARG A 90 -3.293 -15.094 -14.394 1.00 0.00 C ATOM 1486 O ARG A 90 -4.017 -15.787 -15.103 1.00 0.00 O ATOM 1487 CB ARG A 90 -0.789 -15.364 -14.701 1.00 0.00 C ATOM 1488 CG ARG A 90 -0.766 -16.684 -15.488 1.00 0.00 C ATOM 1489 CD ARG A 90 0.546 -17.448 -15.268 1.00 0.00 C ATOM 1490 NE ARG A 90 1.714 -16.664 -15.720 1.00 0.00 N ATOM 1491 CZ ARG A 90 2.876 -17.114 -16.151 1.00 0.00 C ATOM 1492 NH1 ARG A 90 3.161 -18.384 -16.216 1.00 0.00 N ATOM 1493 NH2 ARG A 90 3.779 -16.258 -16.528 1.00 0.00 N ATOM 0 H ARG A 90 -0.780 -13.016 -14.214 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.216 -14.481 -16.082 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.112 -14.795 -14.930 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.764 -15.583 -13.634 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.606 -17.306 -15.181 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.894 -16.477 -16.551 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.655 -17.688 -14.210 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.511 -18.395 -15.807 1.00 0.00 H new ATOM 0 HE ARG A 90 1.608 -15.650 -15.696 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.471 -19.077 -15.926 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.074 -18.685 -16.557 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.582 -15.258 -16.487 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.684 -16.586 -16.864 1.00 0.00 H new ATOM 1507 N PHE A 91 -3.645 -14.791 -13.139 1.00 0.00 N ATOM 1508 CA PHE A 91 -4.897 -15.308 -12.559 1.00 0.00 C ATOM 1509 C PHE A 91 -6.207 -14.719 -13.129 1.00 0.00 C ATOM 1510 O PHE A 91 -7.271 -15.296 -12.898 1.00 0.00 O ATOM 1511 CB PHE A 91 -4.848 -15.315 -11.016 1.00 0.00 C ATOM 1512 CG PHE A 91 -4.474 -14.032 -10.276 1.00 0.00 C ATOM 1513 CD1 PHE A 91 -5.075 -12.794 -10.585 1.00 0.00 C ATOM 1514 CD2 PHE A 91 -3.531 -14.089 -9.227 1.00 0.00 C ATOM 1515 CE1 PHE A 91 -4.721 -11.630 -9.877 1.00 0.00 C ATOM 1516 CE2 PHE A 91 -3.177 -12.926 -8.518 1.00 0.00 C ATOM 1517 CZ PHE A 91 -3.770 -11.694 -8.846 1.00 0.00 C ATOM 0 H PHE A 91 -3.095 -14.202 -12.513 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.945 -16.343 -12.896 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.830 -15.626 -10.658 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.140 -16.086 -10.714 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.813 -12.739 -11.371 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.077 -15.034 -8.966 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.182 -10.686 -10.127 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -2.450 -12.980 -7.722 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.495 -10.800 -8.307 1.00 0.00 H new ATOM 1527 N ILE A 92 -6.155 -13.654 -13.945 1.00 0.00 N ATOM 1528 CA ILE A 92 -7.322 -13.169 -14.698 1.00 0.00 C ATOM 1529 C ILE A 92 -7.163 -13.316 -16.221 1.00 0.00 C ATOM 1530 O ILE A 92 -8.092 -12.993 -16.961 1.00 0.00 O ATOM 1531 CB ILE A 92 -7.719 -11.751 -14.234 1.00 0.00 C ATOM 1532 CG1 ILE A 92 -6.600 -10.688 -14.171 1.00 0.00 C ATOM 1533 CG2 ILE A 92 -8.433 -11.852 -12.873 1.00 0.00 C ATOM 1534 CD1 ILE A 92 -6.168 -10.179 -15.551 1.00 0.00 C ATOM 0 H ILE A 92 -5.308 -13.108 -14.101 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.165 -13.819 -14.464 1.00 0.00 H new ATOM 0 HB ILE A 92 -8.373 -11.377 -15.022 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.943 -9.845 -13.572 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.735 -11.111 -13.660 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.718 -10.855 -12.537 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.326 -12.469 -12.975 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.762 -12.304 -12.143 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.380 -9.435 -15.434 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.795 -11.013 -16.146 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.022 -9.727 -16.056 1.00 0.00 H new ATOM 1546 N LYS A 93 -6.033 -13.885 -16.671 1.00 0.00 N ATOM 1547 CA LYS A 93 -5.775 -14.133 -18.105 1.00 0.00 C ATOM 1548 C LYS A 93 -5.596 -15.620 -18.458 1.00 0.00 C ATOM 1549 O LYS A 93 -5.835 -16.002 -19.604 1.00 0.00 O ATOM 1550 CB LYS A 93 -4.543 -13.298 -18.489 1.00 0.00 C ATOM 1551 CG LYS A 93 -4.387 -13.104 -20.007 1.00 0.00 C ATOM 1552 CD LYS A 93 -3.286 -12.081 -20.314 1.00 0.00 C ATOM 1553 CE LYS A 93 -1.890 -12.642 -20.010 1.00 0.00 C ATOM 1554 NZ LYS A 93 -0.893 -11.558 -19.871 1.00 0.00 N ATOM 0 H LYS A 93 -5.275 -14.186 -16.058 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.649 -13.833 -18.683 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.611 -12.321 -18.010 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.648 -13.783 -18.098 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.146 -14.057 -20.477 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.332 -12.768 -20.434 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.341 -11.791 -21.363 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.452 -11.179 -19.725 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.923 -13.228 -19.092 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.586 -13.318 -20.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.082 -11.901 -19.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.569 -11.261 -20.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.326 -10.748 -19.383 1.00 0.00 H new