USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 706 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 67 GLN : amide:sc= -5.98! C(o=-11!,f=-14!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -4.53! C(o=-11!,f=-18!) USER MOD Set 2.1: A 7 TYR OH : rot 180:sc= -0.467 USER MOD Set 2.2: A 37 MET CE :methyl 157:sc= -1.88 (180deg=-4.72!) USER MOD Set 3.1: A 28 LYS NZ :NH3+ 155:sc= 0 (180deg=0) USER MOD Set 3.2: A 29 GLN : amide:sc= -3.38 K(o=-3.4,f=-7.9!) USER MOD Single : A 1 MET CE :methyl -127:sc= -0.614 (180deg=-0.779) USER MOD Single : A 1 MET N :NH3+ -115:sc= -2.78! (180deg=-5.91!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 12 HIS :FLIP no HE2:sc= 0.129 F(o=-0.66,f=0.13) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 164:sc= -0.137 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 96:sc= 1.31 USER MOD Single : A 19 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.5) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 83:sc= 0.699 USER MOD Single : A 27 LYS NZ :NH3+ -133:sc= -0.0846 (180deg=-1.56!) USER MOD Single : A 35 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.67) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.511 USER MOD Single : A 60 GLN : amide:sc= -1.32 K(o=-1.3,f=-8.4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -76:sc= -1.47 USER MOD Single : A 81 GLN : amide:sc=-0.00977 K(o=-0.0098,f=-0.79) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.318 -1.671 12.387 1.00 0.00 N ATOM 2 CA MET A 1 2.500 -2.389 11.369 1.00 0.00 C ATOM 3 C MET A 1 2.565 -1.697 10.013 1.00 0.00 C ATOM 4 O MET A 1 2.291 -0.503 9.901 1.00 0.00 O ATOM 5 CB MET A 1 1.064 -2.451 11.880 1.00 0.00 C ATOM 6 CG MET A 1 0.094 -3.185 10.983 1.00 0.00 C ATOM 7 SD MET A 1 -1.580 -3.205 11.650 1.00 0.00 S ATOM 8 CE MET A 1 -1.339 -4.165 13.141 1.00 0.00 C ATOM 0 H1 MET A 1 4.106 -2.278 12.691 1.00 0.00 H new ATOM 0 H2 MET A 1 3.696 -0.795 11.974 1.00 0.00 H new ATOM 0 H3 MET A 1 2.724 -1.438 13.208 1.00 0.00 H new ATOM 0 HA MET A 1 2.893 -3.395 11.225 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.064 -2.931 12.859 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.702 -1.433 12.024 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.085 -2.714 10.000 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.438 -4.210 10.842 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.049 -4.992 13.160 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.323 -4.559 13.160 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.498 -3.530 14.012 1.00 0.00 H new ATOM 20 N PHE A 2 2.937 -2.454 8.985 1.00 0.00 N ATOM 21 CA PHE A 2 3.053 -1.908 7.639 1.00 0.00 C ATOM 22 C PHE A 2 1.754 -1.246 7.205 1.00 0.00 C ATOM 23 O PHE A 2 0.676 -1.574 7.703 1.00 0.00 O ATOM 24 CB PHE A 2 3.448 -3.002 6.646 1.00 0.00 C ATOM 25 CG PHE A 2 4.886 -3.417 6.756 1.00 0.00 C ATOM 26 CD1 PHE A 2 5.306 -4.231 7.792 1.00 0.00 C ATOM 27 CD2 PHE A 2 5.816 -2.993 5.820 1.00 0.00 C ATOM 28 CE1 PHE A 2 6.628 -4.617 7.895 1.00 0.00 C ATOM 29 CE2 PHE A 2 7.140 -3.376 5.919 1.00 0.00 C ATOM 30 CZ PHE A 2 7.545 -4.189 6.959 1.00 0.00 C ATOM 0 H PHE A 2 3.163 -3.446 9.059 1.00 0.00 H new ATOM 0 HA PHE A 2 3.835 -1.149 7.652 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.813 -3.873 6.806 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.256 -2.649 5.633 1.00 0.00 H new ATOM 0 HD1 PHE A 2 4.592 -4.569 8.529 1.00 0.00 H new ATOM 0 HD2 PHE A 2 5.503 -2.357 5.005 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.943 -5.254 8.708 1.00 0.00 H new ATOM 0 HE2 PHE A 2 7.857 -3.040 5.184 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.579 -4.489 7.039 1.00 0.00 H new ATOM 40 N LYS A 3 1.868 -0.304 6.281 1.00 0.00 N ATOM 41 CA LYS A 3 0.712 0.420 5.784 1.00 0.00 C ATOM 42 C LYS A 3 0.611 0.314 4.272 1.00 0.00 C ATOM 43 O LYS A 3 1.511 0.744 3.553 1.00 0.00 O ATOM 44 CB LYS A 3 0.816 1.890 6.184 1.00 0.00 C ATOM 45 CG LYS A 3 0.484 2.155 7.642 1.00 0.00 C ATOM 46 CD LYS A 3 1.746 2.364 8.469 1.00 0.00 C ATOM 47 CE LYS A 3 1.606 3.547 9.413 1.00 0.00 C ATOM 48 NZ LYS A 3 2.361 3.338 10.680 1.00 0.00 N ATOM 0 H LYS A 3 2.754 -0.024 5.860 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.183 -0.022 6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.828 2.241 5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.145 2.476 5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.153 3.036 7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.083 1.316 8.046 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.959 1.462 9.043 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.595 2.526 7.804 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.967 4.450 8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.552 3.707 9.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.240 4.167 11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.000 2.491 11.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.371 3.210 10.465 1.00 0.00 H new ATOM 62 N VAL A 4 -0.483 -0.254 3.783 1.00 0.00 N ATOM 63 CA VAL A 4 -0.669 -0.387 2.345 1.00 0.00 C ATOM 64 C VAL A 4 -1.838 0.447 1.840 1.00 0.00 C ATOM 65 O VAL A 4 -2.966 0.320 2.318 1.00 0.00 O ATOM 66 CB VAL A 4 -0.888 -1.848 1.903 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.466 -1.894 0.497 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.408 -2.624 1.945 1.00 0.00 C ATOM 0 H VAL A 4 -1.245 -0.625 4.351 1.00 0.00 H new ATOM 0 HA VAL A 4 0.260 -0.021 1.907 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.592 -2.307 2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.615 -2.932 0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.422 -1.370 0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.776 -1.413 -0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.227 -3.651 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.132 -2.160 1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.801 -2.621 2.962 1.00 0.00 H new ATOM 78 N TYR A 5 -1.556 1.262 0.836 1.00 0.00 N ATOM 79 CA TYR A 5 -2.564 2.094 0.209 1.00 0.00 C ATOM 80 C TYR A 5 -2.854 1.559 -1.187 1.00 0.00 C ATOM 81 O TYR A 5 -2.049 1.728 -2.103 1.00 0.00 O ATOM 82 CB TYR A 5 -2.083 3.544 0.119 1.00 0.00 C ATOM 83 CG TYR A 5 -1.802 4.186 1.458 1.00 0.00 C ATOM 84 CD1 TYR A 5 -2.680 4.035 2.522 1.00 0.00 C ATOM 85 CD2 TYR A 5 -0.662 4.957 1.653 1.00 0.00 C ATOM 86 CE1 TYR A 5 -2.431 4.633 3.742 1.00 0.00 C ATOM 87 CE2 TYR A 5 -0.405 5.555 2.870 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.293 5.392 3.911 1.00 0.00 C ATOM 89 OH TYR A 5 -1.042 5.989 5.124 1.00 0.00 O ATOM 0 H TYR A 5 -0.623 1.363 0.435 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.472 2.069 0.811 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.176 3.578 -0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.836 4.134 -0.403 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.572 3.440 2.394 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.034 5.090 0.838 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.125 4.506 4.560 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.488 6.148 3.006 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.199 6.486 5.076 1.00 0.00 H new ATOM 99 N GLY A 6 -3.990 0.894 -1.345 1.00 0.00 N ATOM 100 CA GLY A 6 -4.336 0.338 -2.634 1.00 0.00 C ATOM 101 C GLY A 6 -5.801 -0.018 -2.741 1.00 0.00 C ATOM 102 O GLY A 6 -6.667 0.728 -2.285 1.00 0.00 O ATOM 0 H GLY A 6 -4.674 0.731 -0.606 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.083 1.055 -3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.735 -0.554 -2.814 1.00 0.00 H new ATOM 106 N TYR A 7 -6.076 -1.157 -3.360 1.00 0.00 N ATOM 107 CA TYR A 7 -7.434 -1.617 -3.551 1.00 0.00 C ATOM 108 C TYR A 7 -7.650 -2.988 -2.918 1.00 0.00 C ATOM 109 O TYR A 7 -6.696 -3.719 -2.652 1.00 0.00 O ATOM 110 CB TYR A 7 -7.730 -1.669 -5.042 1.00 0.00 C ATOM 111 CG TYR A 7 -7.529 -0.339 -5.730 1.00 0.00 C ATOM 112 CD1 TYR A 7 -8.361 0.735 -5.452 1.00 0.00 C ATOM 113 CD2 TYR A 7 -6.503 -0.155 -6.648 1.00 0.00 C ATOM 114 CE1 TYR A 7 -8.178 1.957 -6.069 1.00 0.00 C ATOM 115 CE2 TYR A 7 -6.312 1.064 -7.268 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.152 2.117 -6.976 1.00 0.00 C ATOM 117 OH TYR A 7 -6.966 3.334 -7.592 1.00 0.00 O ATOM 0 H TYR A 7 -5.365 -1.782 -3.740 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.116 -0.922 -3.061 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.086 -2.414 -5.509 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.759 -1.998 -5.191 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.165 0.614 -4.741 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.844 -0.978 -6.881 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.835 2.783 -5.842 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.508 1.192 -7.978 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.200 3.279 -8.201 1.00 0.00 H new ATOM 127 N ASP A 8 -8.911 -3.328 -2.676 1.00 0.00 N ATOM 128 CA ASP A 8 -9.252 -4.610 -2.074 1.00 0.00 C ATOM 129 C ASP A 8 -9.704 -5.605 -3.139 1.00 0.00 C ATOM 130 O ASP A 8 -8.977 -6.539 -3.477 1.00 0.00 O ATOM 131 CB ASP A 8 -10.352 -4.425 -1.023 1.00 0.00 C ATOM 132 CG ASP A 8 -9.956 -4.977 0.333 1.00 0.00 C ATOM 133 OD1 ASP A 8 -8.911 -4.547 0.866 1.00 0.00 O ATOM 134 OD2 ASP A 8 -10.691 -5.836 0.862 1.00 0.00 O ATOM 0 H ASP A 8 -9.713 -2.734 -2.887 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.361 -5.008 -1.588 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.584 -3.364 -0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.262 -4.921 -1.362 1.00 0.00 H new ATOM 139 N SER A 9 -10.909 -5.398 -3.665 1.00 0.00 N ATOM 140 CA SER A 9 -11.459 -6.278 -4.693 1.00 0.00 C ATOM 141 C SER A 9 -12.911 -5.923 -4.996 1.00 0.00 C ATOM 142 O SER A 9 -13.357 -6.007 -6.140 1.00 0.00 O ATOM 143 CB SER A 9 -11.365 -7.742 -4.254 1.00 0.00 C ATOM 144 OG SER A 9 -12.220 -8.564 -5.028 1.00 0.00 O ATOM 0 H SER A 9 -11.523 -4.629 -3.396 1.00 0.00 H new ATOM 0 HA SER A 9 -10.870 -6.140 -5.600 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.336 -8.089 -4.352 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.631 -7.826 -3.200 1.00 0.00 H new ATOM 0 HG SER A 9 -12.140 -9.494 -4.728 1.00 0.00 H new ATOM 150 N ASN A 10 -13.646 -5.534 -3.960 1.00 0.00 N ATOM 151 CA ASN A 10 -15.052 -5.175 -4.109 1.00 0.00 C ATOM 152 C ASN A 10 -15.216 -3.933 -4.982 1.00 0.00 C ATOM 153 O ASN A 10 -16.076 -3.894 -5.861 1.00 0.00 O ATOM 154 CB ASN A 10 -15.685 -4.932 -2.738 1.00 0.00 C ATOM 155 CG ASN A 10 -16.169 -6.214 -2.089 1.00 0.00 C ATOM 156 OD1 ASN A 10 -16.915 -6.986 -2.692 1.00 0.00 O ATOM 157 ND2 ASN A 10 -15.744 -6.449 -0.853 1.00 0.00 N ATOM 0 H ASN A 10 -13.291 -5.459 -3.007 1.00 0.00 H new ATOM 0 HA ASN A 10 -15.559 -6.007 -4.598 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.957 -4.450 -2.085 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -16.523 -4.243 -2.845 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -16.035 -7.297 -0.366 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -15.126 -5.782 -0.391 1.00 0.00 H new ATOM 164 N ILE A 11 -14.392 -2.920 -4.732 1.00 0.00 N ATOM 165 CA ILE A 11 -14.458 -1.679 -5.497 1.00 0.00 C ATOM 166 C ILE A 11 -13.549 -1.730 -6.722 1.00 0.00 C ATOM 167 O ILE A 11 -13.918 -1.257 -7.798 1.00 0.00 O ATOM 168 CB ILE A 11 -14.066 -0.462 -4.633 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.769 -0.523 -3.276 1.00 0.00 C ATOM 170 CG2 ILE A 11 -14.411 0.834 -5.354 1.00 0.00 C ATOM 171 CD1 ILE A 11 -16.277 -0.457 -3.375 1.00 0.00 C ATOM 0 H ILE A 11 -13.673 -2.933 -4.008 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.492 -1.569 -5.822 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.989 -0.488 -4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.486 -1.446 -2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -14.417 0.301 -2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.128 1.683 -4.732 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.869 0.880 -6.299 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.483 0.868 -5.549 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -16.710 -0.505 -2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.570 0.478 -3.852 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.640 -1.296 -3.968 1.00 0.00 H new ATOM 183 N HIS A 12 -12.363 -2.306 -6.556 1.00 0.00 N ATOM 184 CA HIS A 12 -11.410 -2.413 -7.652 1.00 0.00 C ATOM 185 C HIS A 12 -10.535 -3.652 -7.501 1.00 0.00 C ATOM 186 O HIS A 12 -10.298 -4.130 -6.391 1.00 0.00 O ATOM 187 CB HIS A 12 -10.538 -1.158 -7.720 1.00 0.00 C ATOM 188 CG HIS A 12 -9.878 -0.951 -9.047 1.00 0.00 C ATOM 189 ND1 HIS A 12 -8.563 -0.848 -9.361 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 -10.564 -0.815 -10.232 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 -8.436 -0.653 -10.735 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 -9.665 -0.642 -11.211 1.00 0.00 N flip ATOM 0 H HIS A 12 -12.040 -2.705 -5.674 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.973 -2.506 -8.581 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.152 -0.287 -7.491 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.770 -1.218 -6.949 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -7.790 -0.904 -8.698 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -11.637 -0.843 -10.352 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.520 -0.535 -11.294 1.00 0.00 H new ATOM 200 N LYS A 13 -10.060 -4.168 -8.628 1.00 0.00 N ATOM 201 CA LYS A 13 -9.207 -5.353 -8.632 1.00 0.00 C ATOM 202 C LYS A 13 -7.764 -4.986 -8.298 1.00 0.00 C ATOM 203 O LYS A 13 -7.408 -3.809 -8.255 1.00 0.00 O ATOM 204 CB LYS A 13 -9.269 -6.046 -9.994 1.00 0.00 C ATOM 205 CG LYS A 13 -8.719 -5.202 -11.132 1.00 0.00 C ATOM 206 CD LYS A 13 -8.315 -6.063 -12.317 1.00 0.00 C ATOM 207 CE LYS A 13 -6.831 -6.392 -12.283 1.00 0.00 C ATOM 208 NZ LYS A 13 -6.324 -6.820 -13.615 1.00 0.00 N ATOM 0 H LYS A 13 -10.251 -3.784 -9.554 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.574 -6.038 -7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.710 -6.980 -9.943 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.305 -6.306 -10.213 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.471 -4.478 -11.446 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.857 -4.635 -10.782 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.894 -6.986 -12.312 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.553 -5.543 -13.245 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.274 -5.518 -11.947 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.652 -7.184 -11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.309 -7.035 -13.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.838 -7.669 -13.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.471 -6.055 -14.304 1.00 0.00 H new ATOM 222 N CYS A 14 -6.936 -6.001 -8.066 1.00 0.00 N ATOM 223 CA CYS A 14 -5.529 -5.783 -7.738 1.00 0.00 C ATOM 224 C CYS A 14 -4.841 -7.096 -7.373 1.00 0.00 C ATOM 225 O CYS A 14 -5.199 -7.741 -6.387 1.00 0.00 O ATOM 226 CB CYS A 14 -5.393 -4.792 -6.580 1.00 0.00 C ATOM 227 SG CYS A 14 -6.552 -5.079 -5.221 1.00 0.00 S ATOM 0 H CYS A 14 -7.214 -6.982 -8.099 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.044 -5.369 -8.622 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.376 -4.841 -6.192 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.540 -3.782 -6.962 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.148 -4.439 -4.164 1.00 0.00 H new ATOM 233 N VAL A 15 -3.848 -7.480 -8.170 1.00 0.00 N ATOM 234 CA VAL A 15 -3.105 -8.714 -7.929 1.00 0.00 C ATOM 235 C VAL A 15 -1.943 -8.472 -6.971 1.00 0.00 C ATOM 236 O VAL A 15 -1.595 -9.336 -6.168 1.00 0.00 O ATOM 237 CB VAL A 15 -2.556 -9.303 -9.244 1.00 0.00 C ATOM 238 CG1 VAL A 15 -3.687 -9.856 -10.097 1.00 0.00 C ATOM 239 CG2 VAL A 15 -1.764 -8.253 -10.009 1.00 0.00 C ATOM 0 H VAL A 15 -3.539 -6.955 -8.988 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.801 -9.425 -7.483 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.884 -10.125 -8.999 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.279 -10.267 -11.020 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.206 -10.642 -9.548 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.388 -9.056 -10.335 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.384 -8.686 -10.934 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.411 -7.408 -10.243 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.928 -7.911 -9.398 1.00 0.00 H new ATOM 249 N TYR A 16 -1.347 -7.286 -7.066 1.00 0.00 N ATOM 250 CA TYR A 16 -0.223 -6.919 -6.211 1.00 0.00 C ATOM 251 C TYR A 16 -0.641 -6.883 -4.742 1.00 0.00 C ATOM 252 O TYR A 16 0.197 -7.002 -3.847 1.00 0.00 O ATOM 253 CB TYR A 16 0.334 -5.552 -6.628 1.00 0.00 C ATOM 254 CG TYR A 16 1.602 -5.622 -7.456 1.00 0.00 C ATOM 255 CD1 TYR A 16 1.931 -6.760 -8.183 1.00 0.00 C ATOM 256 CD2 TYR A 16 2.471 -4.539 -7.510 1.00 0.00 C ATOM 257 CE1 TYR A 16 3.087 -6.817 -8.938 1.00 0.00 C ATOM 258 CE2 TYR A 16 3.628 -4.588 -8.262 1.00 0.00 C ATOM 259 CZ TYR A 16 3.931 -5.728 -8.974 1.00 0.00 C ATOM 260 OH TYR A 16 5.084 -5.781 -9.724 1.00 0.00 O ATOM 0 H TYR A 16 -1.625 -6.562 -7.728 1.00 0.00 H new ATOM 0 HA TYR A 16 0.553 -7.675 -6.329 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.429 -5.020 -7.197 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.531 -4.964 -5.732 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.271 -7.615 -8.157 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.237 -3.643 -6.954 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.328 -7.710 -9.496 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.292 -3.737 -8.292 1.00 0.00 H new ATOM 0 HH TYR A 16 5.566 -4.932 -9.643 1.00 0.00 H new ATOM 270 N CYS A 17 -1.937 -6.713 -4.500 1.00 0.00 N ATOM 271 CA CYS A 17 -2.458 -6.661 -3.140 1.00 0.00 C ATOM 272 C CYS A 17 -2.425 -8.043 -2.494 1.00 0.00 C ATOM 273 O CYS A 17 -1.707 -8.266 -1.520 1.00 0.00 O ATOM 274 CB CYS A 17 -3.889 -6.115 -3.142 1.00 0.00 C ATOM 275 SG CYS A 17 -4.681 -6.097 -1.516 1.00 0.00 S ATOM 0 H CYS A 17 -2.644 -6.609 -5.228 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.824 -5.993 -2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.878 -5.100 -3.539 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.494 -6.716 -3.821 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.550 -4.919 -0.982 1.00 0.00 H new ATOM 281 N ASP A 18 -3.203 -8.968 -3.048 1.00 0.00 N ATOM 282 CA ASP A 18 -3.267 -10.332 -2.530 1.00 0.00 C ATOM 283 C ASP A 18 -1.870 -10.919 -2.351 1.00 0.00 C ATOM 284 O ASP A 18 -1.618 -11.681 -1.417 1.00 0.00 O ATOM 285 CB ASP A 18 -4.085 -11.217 -3.472 1.00 0.00 C ATOM 286 CG ASP A 18 -4.826 -12.316 -2.735 1.00 0.00 C ATOM 287 OD1 ASP A 18 -5.973 -12.072 -2.305 1.00 0.00 O ATOM 288 OD2 ASP A 18 -4.259 -13.419 -2.589 1.00 0.00 O ATOM 0 H ASP A 18 -3.800 -8.798 -3.858 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.752 -10.298 -1.555 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.801 -10.600 -4.015 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.422 -11.663 -4.214 1.00 0.00 H new ATOM 293 N ASN A 19 -0.965 -10.560 -3.256 1.00 0.00 N ATOM 294 CA ASN A 19 0.407 -11.049 -3.201 1.00 0.00 C ATOM 295 C ASN A 19 1.171 -10.399 -2.052 1.00 0.00 C ATOM 296 O ASN A 19 1.668 -11.083 -1.157 1.00 0.00 O ATOM 297 CB ASN A 19 1.120 -10.776 -4.525 1.00 0.00 C ATOM 298 CG ASN A 19 0.453 -11.470 -5.696 1.00 0.00 C ATOM 299 OD1 ASN A 19 -0.483 -12.250 -5.520 1.00 0.00 O ATOM 300 ND2 ASN A 19 0.933 -11.187 -6.902 1.00 0.00 N ATOM 0 H ASN A 19 -1.158 -9.932 -4.036 1.00 0.00 H new ATOM 0 HA ASN A 19 0.377 -12.125 -3.029 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.142 -9.702 -4.708 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.156 -11.108 -4.452 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.524 -11.623 -7.729 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.710 -10.534 -7.001 1.00 0.00 H new ATOM 307 N ALA A 20 1.257 -9.072 -2.082 1.00 0.00 N ATOM 308 CA ALA A 20 1.959 -8.327 -1.041 1.00 0.00 C ATOM 309 C ALA A 20 1.390 -8.651 0.336 1.00 0.00 C ATOM 310 O ALA A 20 2.108 -8.635 1.336 1.00 0.00 O ATOM 311 CB ALA A 20 1.873 -6.834 -1.313 1.00 0.00 C ATOM 0 H ALA A 20 0.850 -8.491 -2.815 1.00 0.00 H new ATOM 0 HA ALA A 20 3.007 -8.626 -1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.401 -6.290 -0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.329 -6.613 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.827 -6.526 -1.327 1.00 0.00 H new ATOM 317 N LYS A 21 0.096 -8.950 0.379 1.00 0.00 N ATOM 318 CA LYS A 21 -0.572 -9.284 1.631 1.00 0.00 C ATOM 319 C LYS A 21 0.048 -10.528 2.256 1.00 0.00 C ATOM 320 O LYS A 21 0.472 -10.512 3.411 1.00 0.00 O ATOM 321 CB LYS A 21 -2.065 -9.511 1.385 1.00 0.00 C ATOM 322 CG LYS A 21 -2.846 -9.861 2.641 1.00 0.00 C ATOM 323 CD LYS A 21 -4.072 -10.700 2.320 1.00 0.00 C ATOM 324 CE LYS A 21 -4.695 -11.282 3.579 1.00 0.00 C ATOM 325 NZ LYS A 21 -5.665 -10.342 4.205 1.00 0.00 N ATOM 0 H LYS A 21 -0.512 -8.968 -0.440 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.446 -8.450 2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.492 -8.611 0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.186 -10.313 0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.202 -10.406 3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.153 -8.945 3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.807 -10.087 1.799 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.794 -11.508 1.643 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.201 -12.216 3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.909 -11.523 4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.067 -10.777 5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.177 -9.460 4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.429 -10.132 3.531 1.00 0.00 H new ATOM 339 N ARG A 22 0.102 -11.607 1.481 1.00 0.00 N ATOM 340 CA ARG A 22 0.673 -12.863 1.955 1.00 0.00 C ATOM 341 C ARG A 22 2.173 -12.724 2.202 1.00 0.00 C ATOM 342 O ARG A 22 2.751 -13.461 3.000 1.00 0.00 O ATOM 343 CB ARG A 22 0.415 -13.978 0.940 1.00 0.00 C ATOM 344 CG ARG A 22 0.555 -15.374 1.524 1.00 0.00 C ATOM 345 CD ARG A 22 -0.788 -15.930 1.969 1.00 0.00 C ATOM 346 NE ARG A 22 -1.661 -16.228 0.835 1.00 0.00 N ATOM 347 CZ ARG A 22 -2.936 -16.588 0.956 1.00 0.00 C ATOM 348 NH1 ARG A 22 -3.493 -16.696 2.156 1.00 0.00 N ATOM 349 NH2 ARG A 22 -3.659 -16.841 -0.127 1.00 0.00 N ATOM 0 H ARG A 22 -0.243 -11.637 0.522 1.00 0.00 H new ATOM 0 HA ARG A 22 0.191 -13.118 2.899 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.589 -13.862 0.533 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.111 -13.869 0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.996 -16.038 0.781 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.238 -15.347 2.373 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.629 -16.837 2.552 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.279 -15.211 2.625 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.270 -16.156 -0.104 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.943 -16.502 2.993 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.471 -16.972 2.241 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.237 -16.760 -1.052 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.637 -17.117 -0.035 1.00 0.00 H new ATOM 363 N LEU A 23 2.798 -11.769 1.518 1.00 0.00 N ATOM 364 CA LEU A 23 4.229 -11.531 1.667 1.00 0.00 C ATOM 365 C LEU A 23 4.563 -11.175 3.109 1.00 0.00 C ATOM 366 O LEU A 23 5.363 -11.849 3.759 1.00 0.00 O ATOM 367 CB LEU A 23 4.671 -10.401 0.733 1.00 0.00 C ATOM 368 CG LEU A 23 6.169 -10.351 0.415 1.00 0.00 C ATOM 369 CD1 LEU A 23 6.502 -9.090 -0.368 1.00 0.00 C ATOM 370 CD2 LEU A 23 6.996 -10.413 1.689 1.00 0.00 C ATOM 0 H LEU A 23 2.335 -11.148 0.855 1.00 0.00 H new ATOM 0 HA LEU A 23 4.763 -12.443 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.122 -10.493 -0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.381 -9.450 1.180 1.00 0.00 H new ATOM 0 HG LEU A 23 6.416 -11.220 -0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.570 -9.069 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.940 -9.083 -1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.235 -8.214 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.056 -10.376 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.745 -9.566 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.781 -11.342 2.218 1.00 0.00 H new ATOM 382 N LEU A 24 3.942 -10.113 3.603 1.00 0.00 N ATOM 383 CA LEU A 24 4.172 -9.661 4.972 1.00 0.00 C ATOM 384 C LEU A 24 3.788 -10.746 5.972 1.00 0.00 C ATOM 385 O LEU A 24 4.505 -10.993 6.940 1.00 0.00 O ATOM 386 CB LEU A 24 3.380 -8.382 5.254 1.00 0.00 C ATOM 387 CG LEU A 24 3.311 -7.383 4.093 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.719 -6.066 4.563 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.691 -7.156 3.487 1.00 0.00 C ATOM 0 H LEU A 24 3.275 -9.547 3.078 1.00 0.00 H new ATOM 0 HA LEU A 24 5.235 -9.448 5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.364 -8.658 5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.824 -7.882 6.115 1.00 0.00 H new ATOM 0 HG LEU A 24 2.665 -7.803 3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.677 -5.367 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.713 -6.235 4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.342 -5.649 5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.615 -6.444 2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.363 -6.761 4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.084 -8.101 3.112 1.00 0.00 H new ATOM 401 N THR A 25 2.655 -11.396 5.726 1.00 0.00 N ATOM 402 CA THR A 25 2.183 -12.459 6.604 1.00 0.00 C ATOM 403 C THR A 25 3.194 -13.599 6.653 1.00 0.00 C ATOM 404 O THR A 25 3.466 -14.160 7.714 1.00 0.00 O ATOM 405 CB THR A 25 0.827 -12.981 6.123 1.00 0.00 C ATOM 406 OG1 THR A 25 -0.059 -11.908 5.861 1.00 0.00 O ATOM 407 CG2 THR A 25 0.153 -13.901 7.119 1.00 0.00 C ATOM 0 H THR A 25 2.049 -11.206 4.928 1.00 0.00 H new ATOM 0 HA THR A 25 2.068 -12.051 7.608 1.00 0.00 H new ATOM 0 HB THR A 25 1.040 -13.547 5.216 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.113 -11.553 4.964 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.803 -14.235 6.716 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.790 -14.765 7.305 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.014 -13.366 8.054 1.00 0.00 H new ATOM 415 N VAL A 26 3.756 -13.927 5.493 1.00 0.00 N ATOM 416 CA VAL A 26 4.745 -14.994 5.389 1.00 0.00 C ATOM 417 C VAL A 26 6.088 -14.556 5.973 1.00 0.00 C ATOM 418 O VAL A 26 6.876 -15.386 6.427 1.00 0.00 O ATOM 419 CB VAL A 26 4.939 -15.427 3.921 1.00 0.00 C ATOM 420 CG1 VAL A 26 6.078 -16.429 3.790 1.00 0.00 C ATOM 421 CG2 VAL A 26 3.648 -16.006 3.362 1.00 0.00 C ATOM 0 H VAL A 26 3.542 -13.466 4.608 1.00 0.00 H new ATOM 0 HA VAL A 26 4.370 -15.842 5.962 1.00 0.00 H new ATOM 0 HB VAL A 26 5.203 -14.543 3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.192 -16.716 2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.004 -15.976 4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.855 -17.313 4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.803 -16.306 2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.354 -16.874 3.951 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.862 -15.253 3.408 1.00 0.00 H new ATOM 431 N LYS A 27 6.343 -13.251 5.956 1.00 0.00 N ATOM 432 CA LYS A 27 7.591 -12.712 6.484 1.00 0.00 C ATOM 433 C LYS A 27 7.651 -12.871 8.001 1.00 0.00 C ATOM 434 O LYS A 27 8.679 -13.267 8.543 1.00 0.00 O ATOM 435 CB LYS A 27 7.735 -11.235 6.103 1.00 0.00 C ATOM 436 CG LYS A 27 9.112 -10.872 5.567 1.00 0.00 C ATOM 437 CD LYS A 27 9.215 -11.126 4.072 1.00 0.00 C ATOM 438 CE LYS A 27 10.063 -12.353 3.771 1.00 0.00 C ATOM 439 NZ LYS A 27 9.231 -13.571 3.568 1.00 0.00 N ATOM 0 H LYS A 27 5.704 -12.549 5.583 1.00 0.00 H new ATOM 0 HA LYS A 27 8.417 -13.272 6.046 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.986 -10.988 5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.522 -10.621 6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.318 -9.822 5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.871 -11.454 6.089 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.217 -11.261 3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.649 -10.254 3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.661 -12.170 2.878 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.759 -12.523 4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.630 -14.359 4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.259 -13.385 3.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.222 -13.821 2.558 1.00 0.00 H new ATOM 453 N LYS A 28 6.528 -12.551 8.661 1.00 0.00 N ATOM 454 CA LYS A 28 6.372 -12.632 10.126 1.00 0.00 C ATOM 455 C LYS A 28 6.216 -11.240 10.738 1.00 0.00 C ATOM 456 O LYS A 28 6.596 -10.997 11.883 1.00 0.00 O ATOM 457 CB LYS A 28 7.509 -13.422 10.804 1.00 0.00 C ATOM 458 CG LYS A 28 8.642 -12.589 11.392 1.00 0.00 C ATOM 459 CD LYS A 28 9.102 -11.466 10.468 1.00 0.00 C ATOM 460 CE LYS A 28 10.473 -11.754 9.879 1.00 0.00 C ATOM 461 NZ LYS A 28 11.567 -11.173 10.704 1.00 0.00 N ATOM 0 H LYS A 28 5.687 -12.223 8.186 1.00 0.00 H new ATOM 0 HA LYS A 28 5.456 -13.192 10.315 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.079 -14.028 11.601 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.932 -14.111 10.073 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.316 -12.161 12.340 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.488 -13.241 11.611 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.379 -11.337 9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.133 -10.528 11.022 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.614 -12.832 9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.526 -11.348 8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.444 -11.710 10.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.716 -10.180 10.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.307 -11.223 11.710 1.00 0.00 H new ATOM 475 N GLN A 29 5.639 -10.331 9.964 1.00 0.00 N ATOM 476 CA GLN A 29 5.420 -8.966 10.418 1.00 0.00 C ATOM 477 C GLN A 29 3.953 -8.573 10.270 1.00 0.00 C ATOM 478 O GLN A 29 3.303 -8.940 9.290 1.00 0.00 O ATOM 479 CB GLN A 29 6.300 -7.996 9.627 1.00 0.00 C ATOM 480 CG GLN A 29 7.598 -7.637 10.331 1.00 0.00 C ATOM 481 CD GLN A 29 8.794 -8.376 9.763 1.00 0.00 C ATOM 482 OE1 GLN A 29 8.649 -9.262 8.921 1.00 0.00 O ATOM 483 NE2 GLN A 29 9.986 -8.016 10.225 1.00 0.00 N ATOM 0 H GLN A 29 5.313 -10.516 9.015 1.00 0.00 H new ATOM 0 HA GLN A 29 5.689 -8.913 11.473 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.533 -8.438 8.658 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.737 -7.083 9.434 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.767 -6.563 10.249 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.506 -7.865 11.393 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.060 -7.276 10.923 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.827 -8.479 9.882 1.00 0.00 H new ATOM 492 N PRO A 30 3.411 -7.813 11.234 1.00 0.00 N ATOM 493 CA PRO A 30 2.018 -7.368 11.195 1.00 0.00 C ATOM 494 C PRO A 30 1.839 -6.162 10.286 1.00 0.00 C ATOM 495 O PRO A 30 2.704 -5.290 10.226 1.00 0.00 O ATOM 496 CB PRO A 30 1.752 -6.978 12.644 1.00 0.00 C ATOM 497 CG PRO A 30 3.066 -6.457 13.114 1.00 0.00 C ATOM 498 CD PRO A 30 4.108 -7.314 12.440 1.00 0.00 C ATOM 0 HA PRO A 30 1.343 -8.130 10.806 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.971 -6.221 12.719 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.425 -7.833 13.236 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.189 -5.407 12.847 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.148 -6.522 14.199 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.997 -6.738 12.182 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.434 -8.131 13.083 1.00 0.00 H new ATOM 506 N PHE A 31 0.717 -6.107 9.582 1.00 0.00 N ATOM 507 CA PHE A 31 0.452 -4.992 8.687 1.00 0.00 C ATOM 508 C PHE A 31 -1.032 -4.642 8.635 1.00 0.00 C ATOM 509 O PHE A 31 -1.878 -5.399 9.111 1.00 0.00 O ATOM 510 CB PHE A 31 0.966 -5.294 7.299 1.00 0.00 C ATOM 511 CG PHE A 31 0.132 -6.297 6.580 1.00 0.00 C ATOM 512 CD1 PHE A 31 -0.944 -5.893 5.821 1.00 0.00 C ATOM 513 CD2 PHE A 31 0.413 -7.643 6.689 1.00 0.00 C ATOM 514 CE1 PHE A 31 -1.733 -6.817 5.174 1.00 0.00 C ATOM 515 CE2 PHE A 31 -0.367 -8.577 6.044 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.446 -8.166 5.284 1.00 0.00 C ATOM 0 H PHE A 31 -0.017 -6.814 9.613 1.00 0.00 H new ATOM 0 HA PHE A 31 0.981 -4.125 9.084 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.997 -4.371 6.719 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.990 -5.662 7.368 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.171 -4.841 5.733 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.253 -7.968 7.286 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.575 -6.490 4.582 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.136 -9.628 6.132 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.062 -8.895 4.778 1.00 0.00 H new ATOM 526 N GLU A 32 -1.340 -3.486 8.046 1.00 0.00 N ATOM 527 CA GLU A 32 -2.723 -3.034 7.929 1.00 0.00 C ATOM 528 C GLU A 32 -3.002 -2.490 6.532 1.00 0.00 C ATOM 529 O GLU A 32 -2.294 -1.609 6.044 1.00 0.00 O ATOM 530 CB GLU A 32 -3.027 -1.958 8.974 1.00 0.00 C ATOM 531 CG GLU A 32 -4.120 -2.356 9.953 1.00 0.00 C ATOM 532 CD GLU A 32 -4.237 -1.394 11.119 1.00 0.00 C ATOM 533 OE1 GLU A 32 -3.214 -0.778 11.485 1.00 0.00 O ATOM 534 OE2 GLU A 32 -5.351 -1.257 11.665 1.00 0.00 O ATOM 0 H GLU A 32 -0.652 -2.849 7.644 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.371 -3.893 8.104 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.116 -1.734 9.530 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.323 -1.041 8.464 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.074 -2.402 9.428 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.916 -3.357 10.332 1.00 0.00 H new ATOM 541 N PHE A 33 -4.037 -3.026 5.894 1.00 0.00 N ATOM 542 CA PHE A 33 -4.416 -2.603 4.561 1.00 0.00 C ATOM 543 C PHE A 33 -5.413 -1.454 4.610 1.00 0.00 C ATOM 544 O PHE A 33 -6.137 -1.284 5.592 1.00 0.00 O ATOM 545 CB PHE A 33 -5.026 -3.777 3.800 1.00 0.00 C ATOM 546 CG PHE A 33 -5.032 -3.566 2.323 1.00 0.00 C ATOM 547 CD1 PHE A 33 -3.879 -3.758 1.593 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.181 -3.162 1.670 1.00 0.00 C ATOM 549 CE1 PHE A 33 -3.867 -3.553 0.228 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.177 -2.948 0.304 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.014 -3.146 -0.417 1.00 0.00 C ATOM 0 H PHE A 33 -4.629 -3.759 6.286 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.519 -2.257 4.048 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.467 -4.684 4.031 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.048 -3.936 4.144 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.975 -4.072 2.094 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.091 -3.012 2.232 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.959 -3.712 -0.334 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.078 -2.628 -0.198 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.005 -2.982 -1.484 1.00 0.00 H new ATOM 561 N ILE A 34 -5.450 -0.674 3.538 1.00 0.00 N ATOM 562 CA ILE A 34 -6.361 0.455 3.437 1.00 0.00 C ATOM 563 C ILE A 34 -6.733 0.707 1.986 1.00 0.00 C ATOM 564 O ILE A 34 -5.869 0.924 1.137 1.00 0.00 O ATOM 565 CB ILE A 34 -5.760 1.747 4.024 1.00 0.00 C ATOM 566 CG1 ILE A 34 -5.037 1.458 5.338 1.00 0.00 C ATOM 567 CG2 ILE A 34 -6.849 2.788 4.231 1.00 0.00 C ATOM 568 CD1 ILE A 34 -4.177 2.607 5.818 1.00 0.00 C ATOM 0 H ILE A 34 -4.854 -0.805 2.721 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.246 0.193 4.016 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.032 2.142 3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.774 1.221 6.105 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.412 0.574 5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.411 3.696 4.646 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.320 3.017 3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.598 2.399 4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.694 2.333 6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.417 2.830 5.069 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.800 3.487 5.975 1.00 0.00 H new ATOM 580 N ASN A 35 -8.022 0.672 1.714 1.00 0.00 N ATOM 581 CA ASN A 35 -8.527 0.894 0.366 1.00 0.00 C ATOM 582 C ASN A 35 -8.530 2.379 0.032 1.00 0.00 C ATOM 583 O ASN A 35 -9.317 3.147 0.583 1.00 0.00 O ATOM 584 CB ASN A 35 -9.940 0.323 0.227 1.00 0.00 C ATOM 585 CG ASN A 35 -10.040 -1.099 0.743 1.00 0.00 C ATOM 586 OD1 ASN A 35 -9.106 -1.890 0.605 1.00 0.00 O ATOM 587 ND2 ASN A 35 -11.179 -1.434 1.340 1.00 0.00 N ATOM 0 H ASN A 35 -8.746 0.491 2.410 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.868 0.381 -0.335 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.640 0.955 0.773 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.238 0.349 -0.821 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.305 -2.378 1.705 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.927 -0.747 1.433 1.00 0.00 H new ATOM 594 N ILE A 36 -7.643 2.779 -0.874 1.00 0.00 N ATOM 595 CA ILE A 36 -7.553 4.174 -1.280 1.00 0.00 C ATOM 596 C ILE A 36 -8.848 4.627 -1.944 1.00 0.00 C ATOM 597 O ILE A 36 -9.140 5.822 -2.006 1.00 0.00 O ATOM 598 CB ILE A 36 -6.379 4.409 -2.250 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.538 3.543 -3.501 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.054 4.117 -1.563 1.00 0.00 C ATOM 601 CD1 ILE A 36 -5.938 4.162 -4.745 1.00 0.00 C ATOM 0 H ILE A 36 -6.980 2.159 -1.338 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.381 4.759 -0.376 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.385 5.456 -2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.070 2.575 -3.325 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.598 3.358 -3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.236 4.288 -2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.938 4.775 -0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.037 3.079 -1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.088 3.493 -5.593 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.423 5.117 -4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.871 4.322 -4.593 1.00 0.00 H new ATOM 613 N MET A 37 -9.625 3.665 -2.435 1.00 0.00 N ATOM 614 CA MET A 37 -10.888 3.972 -3.088 1.00 0.00 C ATOM 615 C MET A 37 -12.029 3.155 -2.487 1.00 0.00 C ATOM 616 O MET A 37 -12.342 2.064 -2.964 1.00 0.00 O ATOM 617 CB MET A 37 -10.789 3.716 -4.595 1.00 0.00 C ATOM 618 CG MET A 37 -12.090 3.952 -5.345 1.00 0.00 C ATOM 619 SD MET A 37 -11.828 4.579 -7.016 1.00 0.00 S ATOM 620 CE MET A 37 -10.450 3.566 -7.551 1.00 0.00 C ATOM 0 H MET A 37 -9.401 2.671 -2.392 1.00 0.00 H new ATOM 0 HA MET A 37 -11.103 5.028 -2.925 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.017 4.362 -5.014 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.468 2.687 -4.759 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.650 3.018 -5.396 1.00 0.00 H new ATOM 0 HG3 MET A 37 -12.702 4.661 -4.787 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.429 3.526 -8.640 1.00 0.00 H new ATOM 0 HE2 MET A 37 -9.518 3.997 -7.186 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.564 2.558 -7.153 1.00 0.00 H new ATOM 630 N PRO A 38 -12.673 3.680 -1.428 1.00 0.00 N ATOM 631 CA PRO A 38 -13.789 3.000 -0.765 1.00 0.00 C ATOM 632 C PRO A 38 -15.094 3.112 -1.551 1.00 0.00 C ATOM 633 O PRO A 38 -16.134 2.615 -1.117 1.00 0.00 O ATOM 634 CB PRO A 38 -13.902 3.744 0.564 1.00 0.00 C ATOM 635 CG PRO A 38 -13.428 5.123 0.261 1.00 0.00 C ATOM 636 CD PRO A 38 -12.366 4.980 -0.798 1.00 0.00 C ATOM 0 HA PRO A 38 -13.615 1.929 -0.664 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.929 3.749 0.930 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.291 3.275 1.335 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.248 5.748 -0.092 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.025 5.601 1.154 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.409 5.795 -1.520 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.365 4.989 -0.366 1.00 0.00 H new ATOM 644 N GLU A 39 -15.035 3.769 -2.708 1.00 0.00 N ATOM 645 CA GLU A 39 -16.209 3.946 -3.550 1.00 0.00 C ATOM 646 C GLU A 39 -15.845 3.766 -5.018 1.00 0.00 C ATOM 647 O GLU A 39 -14.796 4.227 -5.467 1.00 0.00 O ATOM 648 CB GLU A 39 -16.816 5.332 -3.330 1.00 0.00 C ATOM 649 CG GLU A 39 -17.342 5.548 -1.921 1.00 0.00 C ATOM 650 CD GLU A 39 -18.276 6.738 -1.824 1.00 0.00 C ATOM 651 OE1 GLU A 39 -18.018 7.753 -2.505 1.00 0.00 O ATOM 652 OE2 GLU A 39 -19.265 6.656 -1.066 1.00 0.00 O ATOM 0 H GLU A 39 -14.183 4.187 -3.081 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.945 3.190 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.062 6.089 -3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.630 5.480 -4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.867 4.651 -1.591 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.502 5.694 -1.242 1.00 0.00 H new ATOM 659 N LYS A 40 -16.716 3.094 -5.764 1.00 0.00 N ATOM 660 CA LYS A 40 -16.476 2.853 -7.184 1.00 0.00 C ATOM 661 C LYS A 40 -16.510 4.142 -7.992 1.00 0.00 C ATOM 662 O LYS A 40 -16.169 4.164 -9.174 1.00 0.00 O ATOM 663 CB LYS A 40 -17.486 1.849 -7.740 1.00 0.00 C ATOM 664 CG LYS A 40 -17.030 1.175 -9.024 1.00 0.00 C ATOM 665 CD LYS A 40 -18.185 0.484 -9.730 1.00 0.00 C ATOM 666 CE LYS A 40 -17.840 0.160 -11.175 1.00 0.00 C ATOM 667 NZ LYS A 40 -18.200 1.272 -12.096 1.00 0.00 N ATOM 0 H LYS A 40 -17.592 2.708 -5.411 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.474 2.433 -7.276 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.678 1.085 -6.987 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.431 2.361 -7.924 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.587 1.917 -9.689 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -16.252 0.446 -8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.439 -0.434 -9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.067 1.124 -9.700 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.773 -0.047 -11.256 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -18.364 -0.746 -11.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.948 1.011 -13.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -19.223 1.453 -12.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.681 2.131 -11.823 1.00 0.00 H new ATOM 681 N GLY A 41 -16.914 5.204 -7.335 1.00 0.00 N ATOM 682 CA GLY A 41 -16.990 6.505 -7.975 1.00 0.00 C ATOM 683 C GLY A 41 -15.672 7.252 -7.925 1.00 0.00 C ATOM 684 O GLY A 41 -15.065 7.525 -8.962 1.00 0.00 O ATOM 0 H GLY A 41 -17.197 5.197 -6.355 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.293 6.378 -9.014 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -17.761 7.102 -7.488 1.00 0.00 H new ATOM 688 N VAL A 42 -15.224 7.576 -6.717 1.00 0.00 N ATOM 689 CA VAL A 42 -13.970 8.296 -6.535 1.00 0.00 C ATOM 690 C VAL A 42 -13.265 7.852 -5.259 1.00 0.00 C ATOM 691 O VAL A 42 -13.911 7.562 -4.252 1.00 0.00 O ATOM 692 CB VAL A 42 -14.197 9.818 -6.479 1.00 0.00 C ATOM 693 CG1 VAL A 42 -12.867 10.557 -6.463 1.00 0.00 C ATOM 694 CG2 VAL A 42 -15.053 10.273 -7.653 1.00 0.00 C ATOM 0 H VAL A 42 -15.711 7.351 -5.849 1.00 0.00 H new ATOM 0 HA VAL A 42 -13.343 8.063 -7.396 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.728 10.054 -5.557 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.048 11.631 -6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.293 10.253 -5.588 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.306 10.317 -7.366 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.203 11.351 -7.597 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.550 10.024 -8.588 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.019 9.770 -7.616 1.00 0.00 H new ATOM 704 N PHE A 43 -11.937 7.796 -5.305 1.00 0.00 N ATOM 705 CA PHE A 43 -11.158 7.380 -4.140 1.00 0.00 C ATOM 706 C PHE A 43 -11.294 8.382 -2.998 1.00 0.00 C ATOM 707 O PHE A 43 -11.809 9.484 -3.181 1.00 0.00 O ATOM 708 CB PHE A 43 -9.672 7.176 -4.482 1.00 0.00 C ATOM 709 CG PHE A 43 -9.178 7.984 -5.647 1.00 0.00 C ATOM 710 CD1 PHE A 43 -9.277 7.490 -6.938 1.00 0.00 C ATOM 711 CD2 PHE A 43 -8.612 9.232 -5.452 1.00 0.00 C ATOM 712 CE1 PHE A 43 -8.821 8.229 -8.013 1.00 0.00 C ATOM 713 CE2 PHE A 43 -8.154 9.975 -6.522 1.00 0.00 C ATOM 714 CZ PHE A 43 -8.259 9.473 -7.806 1.00 0.00 C ATOM 0 H PHE A 43 -11.381 8.031 -6.127 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.566 6.421 -3.819 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.074 7.425 -3.605 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.504 6.120 -4.693 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.715 6.517 -7.106 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.528 9.629 -4.451 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.904 7.834 -9.015 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.714 10.947 -6.356 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.902 10.052 -8.645 1.00 0.00 H new ATOM 724 N ASP A 44 -10.829 7.984 -1.817 1.00 0.00 N ATOM 725 CA ASP A 44 -10.900 8.838 -0.636 1.00 0.00 C ATOM 726 C ASP A 44 -9.631 9.673 -0.482 1.00 0.00 C ATOM 727 O ASP A 44 -8.537 9.134 -0.315 1.00 0.00 O ATOM 728 CB ASP A 44 -11.118 7.990 0.619 1.00 0.00 C ATOM 729 CG ASP A 44 -11.961 8.702 1.659 1.00 0.00 C ATOM 730 OD1 ASP A 44 -11.381 9.427 2.497 1.00 0.00 O ATOM 731 OD2 ASP A 44 -13.198 8.537 1.635 1.00 0.00 O ATOM 0 H ASP A 44 -10.398 7.074 -1.653 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.744 9.516 -0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.602 7.054 0.342 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.152 7.733 1.053 1.00 0.00 H new ATOM 736 N ASP A 45 -9.788 10.992 -0.537 1.00 0.00 N ATOM 737 CA ASP A 45 -8.657 11.906 -0.404 1.00 0.00 C ATOM 738 C ASP A 45 -8.127 11.938 1.029 1.00 0.00 C ATOM 739 O ASP A 45 -7.033 12.444 1.277 1.00 0.00 O ATOM 740 CB ASP A 45 -9.065 13.317 -0.835 1.00 0.00 C ATOM 741 CG ASP A 45 -9.065 13.485 -2.341 1.00 0.00 C ATOM 742 OD1 ASP A 45 -7.968 13.472 -2.939 1.00 0.00 O ATOM 743 OD2 ASP A 45 -10.161 13.629 -2.923 1.00 0.00 O ATOM 0 H ASP A 45 -10.688 11.453 -0.673 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.860 11.542 -1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.059 13.539 -0.448 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.381 14.041 -0.392 1.00 0.00 H new ATOM 748 N GLU A 46 -8.899 11.401 1.971 1.00 0.00 N ATOM 749 CA GLU A 46 -8.486 11.379 3.370 1.00 0.00 C ATOM 750 C GLU A 46 -7.237 10.526 3.546 1.00 0.00 C ATOM 751 O GLU A 46 -6.188 11.016 3.972 1.00 0.00 O ATOM 752 CB GLU A 46 -9.614 10.844 4.254 1.00 0.00 C ATOM 753 CG GLU A 46 -9.315 10.938 5.741 1.00 0.00 C ATOM 754 CD GLU A 46 -10.543 11.282 6.562 1.00 0.00 C ATOM 755 OE1 GLU A 46 -10.814 12.487 6.746 1.00 0.00 O ATOM 756 OE2 GLU A 46 -11.231 10.347 7.023 1.00 0.00 O ATOM 0 H GLU A 46 -9.809 10.977 1.791 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.257 12.401 3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.527 11.399 4.039 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.805 9.803 3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.906 9.989 6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.548 11.695 5.907 1.00 0.00 H new ATOM 763 N LYS A 47 -7.355 9.248 3.210 1.00 0.00 N ATOM 764 CA LYS A 47 -6.232 8.328 3.321 1.00 0.00 C ATOM 765 C LYS A 47 -5.123 8.734 2.360 1.00 0.00 C ATOM 766 O LYS A 47 -3.943 8.707 2.708 1.00 0.00 O ATOM 767 CB LYS A 47 -6.684 6.895 3.031 1.00 0.00 C ATOM 768 CG LYS A 47 -7.445 6.255 4.182 1.00 0.00 C ATOM 769 CD LYS A 47 -8.931 6.139 3.876 1.00 0.00 C ATOM 770 CE LYS A 47 -9.730 7.234 4.565 1.00 0.00 C ATOM 771 NZ LYS A 47 -10.410 6.737 5.792 1.00 0.00 N ATOM 0 H LYS A 47 -8.215 8.826 2.859 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.848 8.371 4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.316 6.894 2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.810 6.286 2.801 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.036 5.265 4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.304 6.848 5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.087 6.197 2.799 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.295 5.164 4.199 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.066 8.058 4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.473 7.631 3.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.944 7.514 6.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.063 5.968 5.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.699 6.382 6.463 1.00 0.00 H new ATOM 785 N ILE A 48 -5.516 9.123 1.152 1.00 0.00 N ATOM 786 CA ILE A 48 -4.564 9.552 0.139 1.00 0.00 C ATOM 787 C ILE A 48 -3.848 10.826 0.581 1.00 0.00 C ATOM 788 O ILE A 48 -2.674 11.028 0.277 1.00 0.00 O ATOM 789 CB ILE A 48 -5.268 9.799 -1.213 1.00 0.00 C ATOM 790 CG1 ILE A 48 -5.781 8.481 -1.795 1.00 0.00 C ATOM 791 CG2 ILE A 48 -4.336 10.490 -2.199 1.00 0.00 C ATOM 792 CD1 ILE A 48 -6.852 8.662 -2.847 1.00 0.00 C ATOM 0 H ILE A 48 -6.490 9.149 0.852 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.832 8.754 0.013 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.118 10.458 -1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.944 7.935 -2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.177 7.866 -0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.859 10.651 -3.142 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.021 11.450 -1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.460 9.864 -2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.169 7.686 -3.215 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -7.706 9.180 -2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.454 9.250 -3.674 1.00 0.00 H new ATOM 804 N ALA A 49 -4.566 11.682 1.305 1.00 0.00 N ATOM 805 CA ALA A 49 -3.996 12.932 1.791 1.00 0.00 C ATOM 806 C ALA A 49 -2.775 12.665 2.660 1.00 0.00 C ATOM 807 O ALA A 49 -1.725 13.283 2.483 1.00 0.00 O ATOM 808 CB ALA A 49 -5.037 13.725 2.569 1.00 0.00 C ATOM 0 H ALA A 49 -5.540 11.532 1.566 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.682 13.522 0.930 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.594 14.655 2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.883 13.950 1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.380 13.138 3.421 1.00 0.00 H new ATOM 814 N GLU A 50 -2.920 11.733 3.596 1.00 0.00 N ATOM 815 CA GLU A 50 -1.823 11.375 4.488 1.00 0.00 C ATOM 816 C GLU A 50 -0.642 10.838 3.687 1.00 0.00 C ATOM 817 O GLU A 50 0.514 11.116 4.004 1.00 0.00 O ATOM 818 CB GLU A 50 -2.289 10.332 5.510 1.00 0.00 C ATOM 819 CG GLU A 50 -1.154 9.693 6.298 1.00 0.00 C ATOM 820 CD GLU A 50 -1.376 9.746 7.797 1.00 0.00 C ATOM 821 OE1 GLU A 50 -2.525 9.994 8.221 1.00 0.00 O ATOM 822 OE2 GLU A 50 -0.400 9.537 8.549 1.00 0.00 O ATOM 0 H GLU A 50 -3.783 11.213 3.756 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.503 12.270 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.982 10.804 6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.843 9.550 4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.043 8.654 5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.220 10.199 6.056 1.00 0.00 H new ATOM 829 N LEU A 51 -0.941 10.072 2.642 1.00 0.00 N ATOM 830 CA LEU A 51 0.093 9.498 1.794 1.00 0.00 C ATOM 831 C LEU A 51 0.969 10.596 1.201 1.00 0.00 C ATOM 832 O LEU A 51 2.193 10.556 1.312 1.00 0.00 O ATOM 833 CB LEU A 51 -0.543 8.667 0.676 1.00 0.00 C ATOM 834 CG LEU A 51 0.400 8.255 -0.458 1.00 0.00 C ATOM 835 CD1 LEU A 51 1.730 7.767 0.097 1.00 0.00 C ATOM 836 CD2 LEU A 51 -0.247 7.178 -1.314 1.00 0.00 C ATOM 0 H LEU A 51 -1.893 9.835 2.364 1.00 0.00 H new ATOM 0 HA LEU A 51 0.720 8.848 2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.970 7.766 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.369 9.236 0.249 1.00 0.00 H new ATOM 0 HG LEU A 51 0.592 9.128 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.384 7.480 -0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.199 8.565 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.561 6.906 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.433 6.894 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.466 6.306 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.173 7.561 -1.742 1.00 0.00 H new ATOM 848 N LEU A 52 0.331 11.582 0.576 1.00 0.00 N ATOM 849 CA LEU A 52 1.043 12.695 -0.029 1.00 0.00 C ATOM 850 C LEU A 52 2.015 13.329 0.955 1.00 0.00 C ATOM 851 O LEU A 52 3.162 13.621 0.617 1.00 0.00 O ATOM 852 CB LEU A 52 0.046 13.709 -0.512 1.00 0.00 C ATOM 853 CG LEU A 52 -0.728 13.233 -1.723 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.773 14.239 -2.068 1.00 0.00 C ATOM 855 CD2 LEU A 52 0.209 12.995 -2.894 1.00 0.00 C ATOM 0 H LEU A 52 -0.683 11.629 0.477 1.00 0.00 H new ATOM 0 HA LEU A 52 1.628 12.325 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.652 13.939 0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.565 14.635 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.215 12.285 -1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.332 13.899 -2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.454 14.360 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.298 15.195 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.365 12.653 -3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.721 13.924 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.944 12.237 -2.624 1.00 0.00 H new ATOM 867 N THR A 53 1.544 13.528 2.179 1.00 0.00 N ATOM 868 CA THR A 53 2.362 14.117 3.232 1.00 0.00 C ATOM 869 C THR A 53 3.552 13.217 3.550 1.00 0.00 C ATOM 870 O THR A 53 4.645 13.698 3.849 1.00 0.00 O ATOM 871 CB THR A 53 1.523 14.339 4.490 1.00 0.00 C ATOM 872 OG1 THR A 53 0.280 14.937 4.165 1.00 0.00 O ATOM 873 CG2 THR A 53 2.201 15.222 5.515 1.00 0.00 C ATOM 0 H THR A 53 0.596 13.289 2.468 1.00 0.00 H new ATOM 0 HA THR A 53 2.736 15.079 2.882 1.00 0.00 H new ATOM 0 HB THR A 53 1.385 13.348 4.922 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.243 15.069 4.983 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.551 15.338 6.382 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.141 14.765 5.825 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.400 16.200 5.078 1.00 0.00 H new ATOM 881 N LYS A 54 3.330 11.909 3.478 1.00 0.00 N ATOM 882 CA LYS A 54 4.382 10.936 3.753 1.00 0.00 C ATOM 883 C LYS A 54 5.476 11.013 2.694 1.00 0.00 C ATOM 884 O LYS A 54 6.664 10.928 3.006 1.00 0.00 O ATOM 885 CB LYS A 54 3.798 9.522 3.806 1.00 0.00 C ATOM 886 CG LYS A 54 2.893 9.284 5.003 1.00 0.00 C ATOM 887 CD LYS A 54 3.681 8.803 6.211 1.00 0.00 C ATOM 888 CE LYS A 54 3.514 7.307 6.425 1.00 0.00 C ATOM 889 NZ LYS A 54 2.306 6.992 7.237 1.00 0.00 N ATOM 0 H LYS A 54 2.430 11.497 3.231 1.00 0.00 H new ATOM 0 HA LYS A 54 4.822 11.172 4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.234 9.336 2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.615 8.801 3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.369 10.206 5.253 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.134 8.546 4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.737 9.037 6.075 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.349 9.338 7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.442 6.808 5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.399 6.911 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.229 5.962 7.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.386 7.447 8.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.458 7.347 6.750 1.00 0.00 H new ATOM 903 N LEU A 55 5.067 11.183 1.440 1.00 0.00 N ATOM 904 CA LEU A 55 6.013 11.280 0.334 1.00 0.00 C ATOM 905 C LEU A 55 6.954 12.462 0.534 1.00 0.00 C ATOM 906 O LEU A 55 8.152 12.288 0.759 1.00 0.00 O ATOM 907 CB LEU A 55 5.263 11.437 -0.990 1.00 0.00 C ATOM 908 CG LEU A 55 4.387 10.248 -1.404 1.00 0.00 C ATOM 909 CD1 LEU A 55 4.482 10.026 -2.901 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.784 8.980 -0.660 1.00 0.00 C ATOM 0 H LEU A 55 4.088 11.256 1.165 1.00 0.00 H new ATOM 0 HA LEU A 55 6.602 10.363 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.633 12.324 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.992 11.620 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 55 3.356 10.483 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.856 9.180 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.141 10.920 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.517 9.819 -3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.144 8.157 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.823 8.738 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.670 9.137 0.413 1.00 0.00 H new ATOM 922 N GLY A 56 6.396 13.665 0.453 1.00 0.00 N ATOM 923 CA GLY A 56 7.186 14.870 0.625 1.00 0.00 C ATOM 924 C GLY A 56 6.334 16.123 0.560 1.00 0.00 C ATOM 925 O GLY A 56 5.578 16.414 1.486 1.00 0.00 O ATOM 0 H GLY A 56 5.406 13.827 0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.701 14.832 1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.954 14.913 -0.148 1.00 0.00 H new ATOM 929 N ARG A 57 6.450 16.860 -0.540 1.00 0.00 N ATOM 930 CA ARG A 57 5.675 18.082 -0.727 1.00 0.00 C ATOM 931 C ARG A 57 5.408 18.329 -2.205 1.00 0.00 C ATOM 932 O ARG A 57 5.309 19.473 -2.649 1.00 0.00 O ATOM 933 CB ARG A 57 6.407 19.278 -0.116 1.00 0.00 C ATOM 934 CG ARG A 57 6.583 19.174 1.389 1.00 0.00 C ATOM 935 CD ARG A 57 6.628 20.546 2.042 1.00 0.00 C ATOM 936 NE ARG A 57 5.307 20.984 2.488 1.00 0.00 N ATOM 937 CZ ARG A 57 5.099 22.057 3.246 1.00 0.00 C ATOM 938 NH1 ARG A 57 6.120 22.805 3.646 1.00 0.00 N ATOM 939 NH2 ARG A 57 3.866 22.385 3.607 1.00 0.00 N ATOM 0 H ARG A 57 7.073 16.633 -1.315 1.00 0.00 H new ATOM 0 HA ARG A 57 4.719 17.960 -0.219 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.387 19.372 -0.583 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.855 20.189 -0.348 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.762 18.595 1.813 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.503 18.634 1.612 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.308 20.520 2.894 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.031 21.271 1.335 1.00 0.00 H new ATOM 0 HE ARG A 57 4.497 20.435 2.201 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.071 22.558 3.372 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.953 23.627 4.227 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.077 21.814 3.303 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.707 23.208 4.188 1.00 0.00 H new ATOM 953 N ASP A 58 5.291 17.244 -2.957 1.00 0.00 N ATOM 954 CA ASP A 58 5.031 17.319 -4.386 1.00 0.00 C ATOM 955 C ASP A 58 3.732 16.590 -4.729 1.00 0.00 C ATOM 956 O ASP A 58 2.810 16.533 -3.916 1.00 0.00 O ATOM 957 CB ASP A 58 6.213 16.724 -5.162 1.00 0.00 C ATOM 958 CG ASP A 58 7.554 17.194 -4.631 1.00 0.00 C ATOM 959 OD1 ASP A 58 7.825 16.980 -3.431 1.00 0.00 O ATOM 960 OD2 ASP A 58 8.331 17.778 -5.415 1.00 0.00 O ATOM 0 H ASP A 58 5.373 16.293 -2.596 1.00 0.00 H new ATOM 0 HA ASP A 58 4.918 18.364 -4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.167 15.636 -5.110 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.127 16.997 -6.214 1.00 0.00 H new ATOM 965 N THR A 59 3.664 16.032 -5.932 1.00 0.00 N ATOM 966 CA THR A 59 2.481 15.304 -6.376 1.00 0.00 C ATOM 967 C THR A 59 2.830 13.859 -6.721 1.00 0.00 C ATOM 968 O THR A 59 4.004 13.495 -6.794 1.00 0.00 O ATOM 969 CB THR A 59 1.855 15.992 -7.590 1.00 0.00 C ATOM 970 OG1 THR A 59 0.917 15.139 -8.222 1.00 0.00 O ATOM 971 CG2 THR A 59 2.870 16.410 -8.632 1.00 0.00 C ATOM 0 H THR A 59 4.417 16.070 -6.619 1.00 0.00 H new ATOM 0 HA THR A 59 1.760 15.302 -5.558 1.00 0.00 H new ATOM 0 HB THR A 59 1.373 16.887 -7.197 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.527 15.598 -8.995 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.359 16.891 -9.466 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.579 17.109 -8.189 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.404 15.531 -8.993 1.00 0.00 H new ATOM 979 N GLN A 60 1.805 13.042 -6.944 1.00 0.00 N ATOM 980 CA GLN A 60 2.004 11.644 -7.291 1.00 0.00 C ATOM 981 C GLN A 60 2.105 11.484 -8.799 1.00 0.00 C ATOM 982 O GLN A 60 1.098 11.445 -9.506 1.00 0.00 O ATOM 983 CB GLN A 60 0.859 10.787 -6.756 1.00 0.00 C ATOM 984 CG GLN A 60 0.876 10.621 -5.245 1.00 0.00 C ATOM 985 CD GLN A 60 -0.398 9.994 -4.712 1.00 0.00 C ATOM 986 OE1 GLN A 60 -1.095 10.583 -3.887 1.00 0.00 O ATOM 987 NE2 GLN A 60 -0.707 8.791 -5.183 1.00 0.00 N ATOM 0 H GLN A 60 0.827 13.327 -6.890 1.00 0.00 H new ATOM 0 HA GLN A 60 2.935 11.309 -6.833 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.089 11.236 -7.053 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.905 9.803 -7.222 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.727 10.002 -4.961 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.020 11.595 -4.778 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.099 8.340 -5.867 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.552 8.319 -4.861 1.00 0.00 H new ATOM 996 N ILE A 61 3.332 11.390 -9.279 1.00 0.00 N ATOM 997 CA ILE A 61 3.597 11.238 -10.703 1.00 0.00 C ATOM 998 C ILE A 61 3.359 9.800 -11.154 1.00 0.00 C ATOM 999 O ILE A 61 4.272 8.975 -11.163 1.00 0.00 O ATOM 1000 CB ILE A 61 5.038 11.675 -11.051 1.00 0.00 C ATOM 1001 CG1 ILE A 61 5.241 11.720 -12.573 1.00 0.00 C ATOM 1002 CG2 ILE A 61 6.062 10.765 -10.384 1.00 0.00 C ATOM 1003 CD1 ILE A 61 5.340 10.360 -13.232 1.00 0.00 C ATOM 0 H ILE A 61 4.170 11.416 -8.699 1.00 0.00 H new ATOM 0 HA ILE A 61 2.903 11.887 -11.237 1.00 0.00 H new ATOM 0 HB ILE A 61 5.190 12.682 -10.663 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.412 12.268 -13.022 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.149 12.282 -12.790 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.067 11.095 -10.646 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.936 10.807 -9.302 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.916 9.741 -10.726 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.482 10.485 -14.305 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.186 9.814 -12.815 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.423 9.800 -13.051 1.00 0.00 H new ATOM 1015 N GLY A 62 2.119 9.511 -11.526 1.00 0.00 N ATOM 1016 CA GLY A 62 1.769 8.176 -11.977 1.00 0.00 C ATOM 1017 C GLY A 62 2.191 7.099 -10.998 1.00 0.00 C ATOM 1018 O GLY A 62 2.491 5.973 -11.396 1.00 0.00 O ATOM 0 H GLY A 62 1.347 10.178 -11.524 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.691 8.120 -12.131 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.239 7.988 -12.942 1.00 0.00 H new ATOM 1022 N LEU A 63 2.221 7.447 -9.715 1.00 0.00 N ATOM 1023 CA LEU A 63 2.612 6.500 -8.671 1.00 0.00 C ATOM 1024 C LEU A 63 1.907 5.159 -8.857 1.00 0.00 C ATOM 1025 O LEU A 63 0.853 5.082 -9.489 1.00 0.00 O ATOM 1026 CB LEU A 63 2.296 7.075 -7.287 1.00 0.00 C ATOM 1027 CG LEU A 63 3.519 7.375 -6.419 1.00 0.00 C ATOM 1028 CD1 LEU A 63 4.275 6.093 -6.103 1.00 0.00 C ATOM 1029 CD2 LEU A 63 4.432 8.375 -7.113 1.00 0.00 C ATOM 0 H LEU A 63 1.980 8.377 -9.372 1.00 0.00 H new ATOM 0 HA LEU A 63 3.686 6.334 -8.749 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.724 7.994 -7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.655 6.372 -6.755 1.00 0.00 H new ATOM 0 HG LEU A 63 3.177 7.813 -5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.142 6.325 -5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.620 5.407 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.606 5.627 -7.031 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.297 8.577 -6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.766 7.963 -8.065 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.888 9.303 -7.290 1.00 0.00 H new ATOM 1041 N THR A 64 2.500 4.103 -8.310 1.00 0.00 N ATOM 1042 CA THR A 64 1.930 2.766 -8.426 1.00 0.00 C ATOM 1043 C THR A 64 1.296 2.310 -7.116 1.00 0.00 C ATOM 1044 O THR A 64 1.754 2.666 -6.030 1.00 0.00 O ATOM 1045 CB THR A 64 3.007 1.768 -8.858 1.00 0.00 C ATOM 1046 OG1 THR A 64 4.056 1.720 -7.907 1.00 0.00 O ATOM 1047 CG2 THR A 64 3.619 2.092 -10.203 1.00 0.00 C ATOM 0 H THR A 64 3.373 4.147 -7.784 1.00 0.00 H new ATOM 0 HA THR A 64 1.147 2.805 -9.183 1.00 0.00 H new ATOM 0 HB THR A 64 2.498 0.807 -8.932 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.734 1.075 -8.200 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.374 1.345 -10.448 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.842 2.087 -10.967 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.082 3.078 -10.164 1.00 0.00 H new ATOM 1055 N MET A 65 0.242 1.511 -7.234 1.00 0.00 N ATOM 1056 CA MET A 65 -0.460 0.991 -6.073 1.00 0.00 C ATOM 1057 C MET A 65 -0.413 -0.533 -6.062 1.00 0.00 C ATOM 1058 O MET A 65 -0.289 -1.161 -7.113 1.00 0.00 O ATOM 1059 CB MET A 65 -1.914 1.470 -6.068 1.00 0.00 C ATOM 1060 CG MET A 65 -2.054 2.983 -6.009 1.00 0.00 C ATOM 1061 SD MET A 65 -1.418 3.679 -4.473 1.00 0.00 S ATOM 1062 CE MET A 65 -1.513 5.432 -4.830 1.00 0.00 C ATOM 0 H MET A 65 -0.145 1.209 -8.128 1.00 0.00 H new ATOM 0 HA MET A 65 0.035 1.365 -5.177 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.413 1.102 -6.965 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.430 1.032 -5.214 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.523 3.426 -6.852 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.105 3.251 -6.117 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.153 5.998 -3.971 1.00 0.00 H new ATOM 0 HE2 MET A 65 -0.897 5.660 -5.700 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.548 5.706 -5.037 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.498 -1.155 -4.874 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.644 -0.461 -3.591 1.00 0.00 C ATOM 1074 C PRO A 66 0.671 0.115 -3.073 1.00 0.00 C ATOM 1075 O PRO A 66 1.742 -0.449 -3.297 1.00 0.00 O ATOM 1076 CB PRO A 66 -1.143 -1.562 -2.639 1.00 0.00 C ATOM 1077 CG PRO A 66 -1.369 -2.768 -3.493 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.473 -2.604 -4.682 1.00 0.00 C ATOM 0 HA PRO A 66 -1.315 0.394 -3.678 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.409 -1.767 -1.860 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.063 -1.259 -2.139 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.132 -3.682 -2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.413 -2.840 -3.798 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.534 -2.974 -4.490 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.848 -3.139 -5.554 1.00 0.00 H new ATOM 1086 N GLN A 67 0.571 1.226 -2.351 1.00 0.00 N ATOM 1087 CA GLN A 67 1.740 1.871 -1.769 1.00 0.00 C ATOM 1088 C GLN A 67 1.910 1.424 -0.322 1.00 0.00 C ATOM 1089 O GLN A 67 0.963 1.456 0.457 1.00 0.00 O ATOM 1090 CB GLN A 67 1.600 3.394 -1.836 1.00 0.00 C ATOM 1091 CG GLN A 67 2.918 4.118 -2.054 1.00 0.00 C ATOM 1092 CD GLN A 67 3.205 4.378 -3.519 1.00 0.00 C ATOM 1093 OE1 GLN A 67 2.558 5.212 -4.153 1.00 0.00 O ATOM 1094 NE2 GLN A 67 4.182 3.664 -4.066 1.00 0.00 N ATOM 0 H GLN A 67 -0.311 1.699 -2.155 1.00 0.00 H new ATOM 0 HA GLN A 67 2.622 1.579 -2.339 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.915 3.652 -2.644 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.149 3.750 -0.910 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.900 5.066 -1.517 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.728 3.526 -1.628 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.693 2.983 -3.504 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.422 3.796 -5.049 1.00 0.00 H new ATOM 1103 N VAL A 68 3.108 0.987 0.037 1.00 0.00 N ATOM 1104 CA VAL A 68 3.352 0.522 1.393 1.00 0.00 C ATOM 1105 C VAL A 68 4.204 1.504 2.187 1.00 0.00 C ATOM 1106 O VAL A 68 4.947 2.303 1.619 1.00 0.00 O ATOM 1107 CB VAL A 68 4.033 -0.862 1.409 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.910 -1.499 2.786 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.437 -1.770 0.341 1.00 0.00 C ATOM 0 H VAL A 68 3.917 0.945 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 68 2.372 0.443 1.864 1.00 0.00 H new ATOM 0 HB VAL A 68 5.091 -0.726 1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.396 -2.475 2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.390 -0.859 3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.856 -1.620 3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.932 -2.740 0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.371 -1.901 0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.580 -1.319 -0.641 1.00 0.00 H new ATOM 1119 N PHE A 69 4.090 1.427 3.510 1.00 0.00 N ATOM 1120 CA PHE A 69 4.848 2.301 4.395 1.00 0.00 C ATOM 1121 C PHE A 69 5.285 1.549 5.649 1.00 0.00 C ATOM 1122 O PHE A 69 4.521 0.771 6.220 1.00 0.00 O ATOM 1123 CB PHE A 69 4.015 3.526 4.768 1.00 0.00 C ATOM 1124 CG PHE A 69 4.028 4.583 3.706 1.00 0.00 C ATOM 1125 CD1 PHE A 69 3.097 4.565 2.680 1.00 0.00 C ATOM 1126 CD2 PHE A 69 4.982 5.585 3.727 1.00 0.00 C ATOM 1127 CE1 PHE A 69 3.117 5.531 1.693 1.00 0.00 C ATOM 1128 CE2 PHE A 69 5.007 6.556 2.743 1.00 0.00 C ATOM 1129 CZ PHE A 69 4.073 6.529 1.725 1.00 0.00 C ATOM 0 H PHE A 69 3.479 0.767 3.991 1.00 0.00 H new ATOM 0 HA PHE A 69 5.742 2.635 3.869 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.986 3.217 4.954 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.394 3.948 5.699 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.348 3.788 2.652 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.715 5.609 4.520 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.387 5.507 0.898 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.755 7.334 2.770 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.090 7.287 0.955 1.00 0.00 H new ATOM 1139 N ALA A 70 6.531 1.771 6.051 1.00 0.00 N ATOM 1140 CA ALA A 70 7.106 1.103 7.218 1.00 0.00 C ATOM 1141 C ALA A 70 6.173 1.140 8.428 1.00 0.00 C ATOM 1142 O ALA A 70 5.254 1.956 8.495 1.00 0.00 O ATOM 1143 CB ALA A 70 8.445 1.730 7.569 1.00 0.00 C ATOM 0 H ALA A 70 7.169 2.414 5.583 1.00 0.00 H new ATOM 0 HA ALA A 70 7.250 0.055 6.955 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.866 1.226 8.439 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.127 1.627 6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.304 2.787 7.795 1.00 0.00 H new ATOM 1149 N PRO A 71 6.408 0.242 9.404 1.00 0.00 N ATOM 1150 CA PRO A 71 5.605 0.160 10.631 1.00 0.00 C ATOM 1151 C PRO A 71 5.651 1.455 11.435 1.00 0.00 C ATOM 1152 O PRO A 71 4.693 1.806 12.125 1.00 0.00 O ATOM 1153 CB PRO A 71 6.268 -0.980 11.416 1.00 0.00 C ATOM 1154 CG PRO A 71 6.988 -1.774 10.386 1.00 0.00 C ATOM 1155 CD PRO A 71 7.483 -0.766 9.393 1.00 0.00 C ATOM 0 HA PRO A 71 4.550 -0.010 10.418 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.954 -0.595 12.171 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.527 -1.586 11.937 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.814 -2.333 10.825 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.326 -2.500 9.914 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.442 -0.341 9.689 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.620 -1.203 8.404 1.00 0.00 H new ATOM 1163 N ASP A 72 6.772 2.161 11.338 1.00 0.00 N ATOM 1164 CA ASP A 72 6.949 3.419 12.055 1.00 0.00 C ATOM 1165 C ASP A 72 6.573 4.612 11.178 1.00 0.00 C ATOM 1166 O ASP A 72 6.310 5.705 11.681 1.00 0.00 O ATOM 1167 CB ASP A 72 8.397 3.560 12.528 1.00 0.00 C ATOM 1168 CG ASP A 72 9.394 3.374 11.401 1.00 0.00 C ATOM 1169 OD1 ASP A 72 9.577 4.321 10.608 1.00 0.00 O ATOM 1170 OD2 ASP A 72 9.993 2.282 11.312 1.00 0.00 O ATOM 0 H ASP A 72 7.572 1.884 10.770 1.00 0.00 H new ATOM 0 HA ASP A 72 6.286 3.407 12.920 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.536 4.545 12.974 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.594 2.826 13.309 1.00 0.00 H new ATOM 1175 N GLY A 73 6.553 4.400 9.864 1.00 0.00 N ATOM 1176 CA GLY A 73 6.211 5.472 8.949 1.00 0.00 C ATOM 1177 C GLY A 73 7.346 5.817 8.006 1.00 0.00 C ATOM 1178 O GLY A 73 8.166 6.685 8.303 1.00 0.00 O ATOM 0 H GLY A 73 6.767 3.507 9.419 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.335 5.183 8.368 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.936 6.359 9.520 1.00 0.00 H new ATOM 1182 N SER A 74 7.396 5.134 6.866 1.00 0.00 N ATOM 1183 CA SER A 74 8.439 5.373 5.874 1.00 0.00 C ATOM 1184 C SER A 74 8.081 4.712 4.545 1.00 0.00 C ATOM 1185 O SER A 74 7.787 3.518 4.494 1.00 0.00 O ATOM 1186 CB SER A 74 9.786 4.845 6.374 1.00 0.00 C ATOM 1187 OG SER A 74 9.733 4.529 7.756 1.00 0.00 O ATOM 0 H SER A 74 6.726 4.410 6.606 1.00 0.00 H new ATOM 0 HA SER A 74 8.518 6.449 5.719 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.065 3.958 5.806 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.560 5.592 6.199 1.00 0.00 H new ATOM 0 HG SER A 74 9.760 5.356 8.282 1.00 0.00 H new ATOM 1193 N HIS A 75 8.105 5.497 3.472 1.00 0.00 N ATOM 1194 CA HIS A 75 7.779 4.987 2.145 1.00 0.00 C ATOM 1195 C HIS A 75 8.765 3.906 1.713 1.00 0.00 C ATOM 1196 O HIS A 75 9.947 4.177 1.505 1.00 0.00 O ATOM 1197 CB HIS A 75 7.776 6.126 1.125 1.00 0.00 C ATOM 1198 CG HIS A 75 7.018 5.807 -0.125 1.00 0.00 C ATOM 1199 ND1 HIS A 75 7.392 6.232 -1.382 1.00 0.00 N ATOM 1200 CD2 HIS A 75 5.882 5.084 -0.299 1.00 0.00 C ATOM 1201 CE1 HIS A 75 6.493 5.767 -2.258 1.00 0.00 C ATOM 1202 NE2 HIS A 75 5.556 5.063 -1.652 1.00 0.00 N ATOM 0 H HIS A 75 8.347 6.488 3.496 1.00 0.00 H new ATOM 0 HA HIS A 75 6.784 4.544 2.191 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.344 7.014 1.586 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.805 6.371 0.863 1.00 0.00 H new ATOM 0 HD1 HIS A 75 8.209 6.800 -1.605 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.321 4.602 0.488 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.530 5.945 -3.323 1.00 0.00 H new ATOM 1210 N ILE A 76 8.267 2.681 1.575 1.00 0.00 N ATOM 1211 CA ILE A 76 9.098 1.556 1.163 1.00 0.00 C ATOM 1212 C ILE A 76 8.827 1.188 -0.291 1.00 0.00 C ATOM 1213 O ILE A 76 9.746 0.864 -1.042 1.00 0.00 O ATOM 1214 CB ILE A 76 8.852 0.318 2.052 1.00 0.00 C ATOM 1215 CG1 ILE A 76 9.138 0.651 3.515 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.708 -0.856 1.595 1.00 0.00 C ATOM 1217 CD1 ILE A 76 8.197 -0.036 4.479 1.00 0.00 C ATOM 0 H ILE A 76 7.290 2.442 1.743 1.00 0.00 H new ATOM 0 HA ILE A 76 10.137 1.867 1.272 1.00 0.00 H new ATOM 0 HB ILE A 76 7.805 0.031 1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 76 10.163 0.365 3.752 1.00 0.00 H new ATOM 0 HG13 ILE A 76 9.068 1.730 3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.518 -1.717 2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.458 -1.109 0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.762 -0.584 1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.455 0.243 5.501 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.172 0.269 4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.285 -1.116 4.365 1.00 0.00 H new ATOM 1229 N GLY A 77 7.557 1.233 -0.677 1.00 0.00 N ATOM 1230 CA GLY A 77 7.187 0.900 -2.039 1.00 0.00 C ATOM 1231 C GLY A 77 5.963 0.013 -2.108 1.00 0.00 C ATOM 1232 O GLY A 77 5.121 0.032 -1.212 1.00 0.00 O ATOM 0 H GLY A 77 6.778 1.494 -0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.998 1.818 -2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.023 0.398 -2.527 1.00 0.00 H new ATOM 1236 N GLY A 78 5.862 -0.758 -3.182 1.00 0.00 N ATOM 1237 CA GLY A 78 4.728 -1.646 -3.359 1.00 0.00 C ATOM 1238 C GLY A 78 5.054 -3.086 -3.012 1.00 0.00 C ATOM 1239 O GLY A 78 5.693 -3.356 -1.996 1.00 0.00 O ATOM 0 H GLY A 78 6.547 -0.785 -3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.903 -1.304 -2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.388 -1.594 -4.393 1.00 0.00 H new ATOM 1243 N PHE A 79 4.611 -4.012 -3.858 1.00 0.00 N ATOM 1244 CA PHE A 79 4.853 -5.433 -3.637 1.00 0.00 C ATOM 1245 C PHE A 79 6.319 -5.785 -3.875 1.00 0.00 C ATOM 1246 O PHE A 79 7.059 -6.074 -2.935 1.00 0.00 O ATOM 1247 CB PHE A 79 3.962 -6.263 -4.563 1.00 0.00 C ATOM 1248 CG PHE A 79 4.159 -7.748 -4.434 1.00 0.00 C ATOM 1249 CD1 PHE A 79 4.326 -8.338 -3.189 1.00 0.00 C ATOM 1250 CD2 PHE A 79 4.175 -8.554 -5.561 1.00 0.00 C ATOM 1251 CE1 PHE A 79 4.505 -9.704 -3.075 1.00 0.00 C ATOM 1252 CE2 PHE A 79 4.354 -9.920 -5.451 1.00 0.00 C ATOM 1253 CZ PHE A 79 4.520 -10.495 -4.206 1.00 0.00 C ATOM 0 H PHE A 79 4.082 -3.802 -4.704 1.00 0.00 H new ATOM 0 HA PHE A 79 4.612 -5.662 -2.599 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.919 -6.026 -4.354 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.155 -5.970 -5.595 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.316 -7.724 -2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.046 -8.110 -6.537 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.633 -10.152 -2.101 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.364 -10.537 -6.337 1.00 0.00 H new ATOM 0 HZ PHE A 79 4.661 -11.562 -4.118 1.00 0.00 H new ATOM 1263 N ASP A 80 6.733 -5.754 -5.138 1.00 0.00 N ATOM 1264 CA ASP A 80 8.111 -6.069 -5.498 1.00 0.00 C ATOM 1265 C ASP A 80 9.076 -5.080 -4.854 1.00 0.00 C ATOM 1266 O ASP A 80 10.087 -5.473 -4.267 1.00 0.00 O ATOM 1267 CB ASP A 80 8.282 -6.049 -7.018 1.00 0.00 C ATOM 1268 CG ASP A 80 9.577 -6.702 -7.463 1.00 0.00 C ATOM 1269 OD1 ASP A 80 9.766 -7.901 -7.173 1.00 0.00 O ATOM 1270 OD2 ASP A 80 10.401 -6.012 -8.100 1.00 0.00 O ATOM 0 H ASP A 80 6.135 -5.514 -5.928 1.00 0.00 H new ATOM 0 HA ASP A 80 8.339 -7.069 -5.128 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.441 -6.563 -7.482 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.259 -5.018 -7.370 1.00 0.00 H new ATOM 1275 N GLN A 81 8.757 -3.794 -4.964 1.00 0.00 N ATOM 1276 CA GLN A 81 9.592 -2.748 -4.389 1.00 0.00 C ATOM 1277 C GLN A 81 9.867 -3.029 -2.917 1.00 0.00 C ATOM 1278 O GLN A 81 10.985 -2.842 -2.437 1.00 0.00 O ATOM 1279 CB GLN A 81 8.918 -1.384 -4.538 1.00 0.00 C ATOM 1280 CG GLN A 81 9.891 -0.243 -4.783 1.00 0.00 C ATOM 1281 CD GLN A 81 10.385 -0.192 -6.215 1.00 0.00 C ATOM 1282 OE1 GLN A 81 9.628 -0.442 -7.154 1.00 0.00 O ATOM 1283 NE2 GLN A 81 11.660 0.135 -6.390 1.00 0.00 N ATOM 0 H GLN A 81 7.926 -3.452 -5.446 1.00 0.00 H new ATOM 0 HA GLN A 81 10.540 -2.736 -4.928 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.209 -1.428 -5.364 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.344 -1.172 -3.636 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.406 0.702 -4.537 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.744 -0.348 -4.112 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.251 0.334 -5.583 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.049 0.187 -7.332 1.00 0.00 H new ATOM 1292 N LEU A 82 8.840 -3.482 -2.205 1.00 0.00 N ATOM 1293 CA LEU A 82 8.978 -3.792 -0.791 1.00 0.00 C ATOM 1294 C LEU A 82 9.714 -5.109 -0.585 1.00 0.00 C ATOM 1295 O LEU A 82 10.487 -5.247 0.360 1.00 0.00 O ATOM 1296 CB LEU A 82 7.624 -3.842 -0.108 1.00 0.00 C ATOM 1297 CG LEU A 82 7.702 -4.286 1.343 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.775 -3.470 2.216 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.398 -5.761 1.437 1.00 0.00 C ATOM 0 H LEU A 82 7.907 -3.641 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 82 9.566 -2.993 -0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.164 -2.855 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.973 -4.524 -0.655 1.00 0.00 H new ATOM 0 HG LEU A 82 8.714 -4.116 1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.853 -3.811 3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.054 -2.418 2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.748 -3.592 1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.454 -6.078 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.396 -5.951 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.124 -6.320 0.847 1.00 0.00 H new ATOM 1311 N ARG A 83 9.494 -6.070 -1.476 1.00 0.00 N ATOM 1312 CA ARG A 83 10.176 -7.357 -1.373 1.00 0.00 C ATOM 1313 C ARG A 83 11.672 -7.122 -1.226 1.00 0.00 C ATOM 1314 O ARG A 83 12.375 -7.895 -0.577 1.00 0.00 O ATOM 1315 CB ARG A 83 9.892 -8.219 -2.605 1.00 0.00 C ATOM 1316 CG ARG A 83 9.887 -9.711 -2.318 1.00 0.00 C ATOM 1317 CD ARG A 83 9.353 -10.505 -3.499 1.00 0.00 C ATOM 1318 NE ARG A 83 10.429 -11.046 -4.326 1.00 0.00 N ATOM 1319 CZ ARG A 83 10.229 -11.681 -5.479 1.00 0.00 C ATOM 1320 NH1 ARG A 83 8.999 -11.856 -5.945 1.00 0.00 N ATOM 1321 NH2 ARG A 83 11.264 -12.144 -6.168 1.00 0.00 N ATOM 0 H ARG A 83 8.857 -5.986 -2.268 1.00 0.00 H new ATOM 0 HA ARG A 83 9.804 -7.888 -0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.926 -7.935 -3.021 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.642 -8.007 -3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.899 -10.041 -2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.276 -9.911 -1.438 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.730 -11.322 -3.135 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.715 -9.864 -4.108 1.00 0.00 H new ATOM 0 HE ARG A 83 11.389 -10.931 -4.001 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.199 -11.503 -5.419 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.853 -12.343 -6.829 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.212 -12.013 -5.814 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.112 -12.631 -7.051 1.00 0.00 H new ATOM 1335 N GLU A 84 12.143 -6.021 -1.810 1.00 0.00 N ATOM 1336 CA GLU A 84 13.547 -5.653 -1.717 1.00 0.00 C ATOM 1337 C GLU A 84 13.848 -5.186 -0.299 1.00 0.00 C ATOM 1338 O GLU A 84 14.929 -5.433 0.235 1.00 0.00 O ATOM 1339 CB GLU A 84 13.887 -4.550 -2.722 1.00 0.00 C ATOM 1340 CG GLU A 84 13.344 -4.809 -4.119 1.00 0.00 C ATOM 1341 CD GLU A 84 14.376 -5.426 -5.041 1.00 0.00 C ATOM 1342 OE1 GLU A 84 15.360 -6.000 -4.530 1.00 0.00 O ATOM 1343 OE2 GLU A 84 14.201 -5.334 -6.274 1.00 0.00 O ATOM 0 H GLU A 84 11.571 -5.372 -2.351 1.00 0.00 H new ATOM 0 HA GLU A 84 14.160 -6.523 -1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.490 -3.603 -2.357 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.970 -4.442 -2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.480 -5.471 -4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.994 -3.870 -4.548 1.00 0.00 H new ATOM 1350 N TYR A 85 12.861 -4.534 0.316 1.00 0.00 N ATOM 1351 CA TYR A 85 12.990 -4.060 1.683 1.00 0.00 C ATOM 1352 C TYR A 85 13.175 -5.256 2.608 1.00 0.00 C ATOM 1353 O TYR A 85 13.921 -5.198 3.585 1.00 0.00 O ATOM 1354 CB TYR A 85 11.737 -3.273 2.073 1.00 0.00 C ATOM 1355 CG TYR A 85 11.837 -2.563 3.402 1.00 0.00 C ATOM 1356 CD1 TYR A 85 12.339 -1.272 3.484 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.417 -3.181 4.573 1.00 0.00 C ATOM 1358 CE1 TYR A 85 12.423 -0.615 4.694 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.495 -2.530 5.789 1.00 0.00 C ATOM 1360 CZ TYR A 85 11.999 -1.247 5.845 1.00 0.00 C ATOM 1361 OH TYR A 85 12.080 -0.594 7.053 1.00 0.00 O ATOM 0 H TYR A 85 11.962 -4.324 -0.118 1.00 0.00 H new ATOM 0 HA TYR A 85 13.855 -3.403 1.770 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.528 -2.537 1.296 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.888 -3.956 2.102 1.00 0.00 H new ATOM 0 HD1 TYR A 85 12.670 -0.773 2.585 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.023 -4.186 4.532 1.00 0.00 H new ATOM 0 HE1 TYR A 85 12.819 0.389 4.740 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.163 -3.023 6.691 1.00 0.00 H new ATOM 0 HH TYR A 85 11.740 -1.177 7.763 1.00 0.00 H new ATOM 1371 N PHE A 86 12.498 -6.348 2.261 1.00 0.00 N ATOM 1372 CA PHE A 86 12.570 -7.588 3.023 1.00 0.00 C ATOM 1373 C PHE A 86 13.708 -8.480 2.532 1.00 0.00 C ATOM 1374 O PHE A 86 14.260 -9.272 3.295 1.00 0.00 O ATOM 1375 CB PHE A 86 11.233 -8.331 2.932 1.00 0.00 C ATOM 1376 CG PHE A 86 10.227 -7.857 3.941 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.571 -7.763 5.279 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.949 -7.494 3.556 1.00 0.00 C ATOM 1379 CE1 PHE A 86 9.661 -7.312 6.213 1.00 0.00 C ATOM 1380 CE2 PHE A 86 8.031 -7.046 4.487 1.00 0.00 C ATOM 1381 CZ PHE A 86 8.389 -6.955 5.816 1.00 0.00 C ATOM 0 H PHE A 86 11.886 -6.396 1.446 1.00 0.00 H new ATOM 0 HA PHE A 86 12.774 -7.337 4.064 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.821 -8.205 1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.406 -9.398 3.074 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.564 -8.046 5.595 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.665 -7.561 2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.944 -7.239 7.253 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.035 -6.768 4.175 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.674 -6.604 6.545 1.00 0.00 H new ATOM 1391 N LYS A 87 14.058 -8.343 1.256 1.00 0.00 N ATOM 1392 CA LYS A 87 15.131 -9.137 0.667 1.00 0.00 C ATOM 1393 C LYS A 87 16.472 -8.422 0.795 1.00 0.00 C ATOM 1394 O LYS A 87 16.639 -7.361 0.155 1.00 0.00 O ATOM 1395 CB LYS A 87 14.832 -9.423 -0.806 1.00 0.00 C ATOM 1396 CG LYS A 87 13.856 -10.570 -1.017 1.00 0.00 C ATOM 1397 CD LYS A 87 13.689 -10.896 -2.491 1.00 0.00 C ATOM 1398 CE LYS A 87 14.824 -11.770 -3.000 1.00 0.00 C ATOM 1399 NZ LYS A 87 14.555 -13.217 -2.774 1.00 0.00 N ATOM 1400 OXT LYS A 87 17.343 -8.925 1.535 1.00 0.00 O ATOM 0 H LYS A 87 13.614 -7.690 0.611 1.00 0.00 H new ATOM 0 HA LYS A 87 15.190 -10.080 1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 87 14.427 -8.522 -1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.766 -9.652 -1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.211 -11.453 -0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.888 -10.309 -0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.738 -11.405 -2.647 1.00 0.00 H new ATOM 0 HD3 LYS A 87 13.653 -9.972 -3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.971 -11.590 -4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.750 -11.490 -2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 15.352 -13.779 -3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.440 -13.394 -1.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.685 -13.490 -3.273 1.00 0.00 H new