USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 844 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 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc= 0.0311 USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 38 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0973) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.665 K(o=-0.67,f=-4.6!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= 0.813 (180deg=0.794) USER MOD Single : A 22 ASN : amide:sc= 0.276 K(o=0.28,f=-7.4!) USER MOD Single : A 23 TYR OH : rot 81:sc= 1.06 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.172 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0747 X(o=-0.075,f=-0.075) USER MOD Single : A 30 SER OG : rot 40:sc= 0.0658 USER MOD Single : A 40 ASN : amide:sc= -0.201 K(o=-0.2,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -83:sc= 1.24 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 1.14 K(o=1.1,f=-3.1!) USER MOD Single : A 64 SER OG : rot 82:sc= 0.84 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -152:sc= 1.01 USER MOD Single : A 76 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 77 TYR OH : rot 128:sc= 1.11 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.105 X(o=0.11,f=-0.28) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 122:sc= 2 USER MOD Single : A 91 SER OG : rot 26:sc= 1.52 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 105:sc= 0.525 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -54:sc= 0.769 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.103 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.214 -4.783 12.557 1.00 0.00 N ATOM 2 CA ALA A 1 12.070 -3.609 12.533 1.00 0.00 C ATOM 3 C ALA A 1 11.303 -2.437 11.917 1.00 0.00 C ATOM 4 O ALA A 1 11.068 -1.427 12.578 1.00 0.00 O ATOM 5 CB ALA A 1 13.356 -3.930 11.770 1.00 0.00 C ATOM 0 H1 ALA A 1 11.732 -5.582 12.975 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.367 -4.583 13.127 1.00 0.00 H new ATOM 0 H3 ALA A 1 10.929 -5.025 11.586 1.00 0.00 H new ATOM 0 HA ALA A 1 12.355 -3.321 13.545 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.998 -3.049 11.752 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.878 -4.749 12.265 1.00 0.00 H new ATOM 0 HB3 ALA A 1 13.110 -4.221 10.749 1.00 0.00 H new ATOM 11 N VAL A 2 10.934 -2.611 10.656 1.00 0.00 N ATOM 12 CA VAL A 2 10.179 -1.589 9.950 1.00 0.00 C ATOM 13 C VAL A 2 8.683 -1.873 10.098 1.00 0.00 C ATOM 14 O VAL A 2 8.293 -2.949 10.546 1.00 0.00 O ATOM 15 CB VAL A 2 10.633 -1.519 8.490 1.00 0.00 C ATOM 16 CG1 VAL A 2 12.159 -1.459 8.392 1.00 0.00 C ATOM 17 CG2 VAL A 2 10.077 -2.696 7.686 1.00 0.00 C ATOM 0 H VAL A 2 11.144 -3.444 10.105 1.00 0.00 H new ATOM 0 HA VAL A 2 10.368 -0.607 10.383 1.00 0.00 H new ATOM 0 HB VAL A 2 10.234 -0.601 8.059 1.00 0.00 H new ATOM 0 HG11 VAL A 2 12.455 -1.410 7.344 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.523 -0.574 8.913 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.588 -2.351 8.849 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.414 -2.622 6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 2 10.432 -3.632 8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 2 8.988 -2.674 7.714 1.00 0.00 H new ATOM 27 N ILE A 3 7.886 -0.887 9.713 1.00 0.00 N ATOM 28 CA ILE A 3 6.445 -0.985 9.873 1.00 0.00 C ATOM 29 C ILE A 3 5.839 -1.620 8.620 1.00 0.00 C ATOM 30 O ILE A 3 5.941 -1.065 7.527 1.00 0.00 O ATOM 31 CB ILE A 3 5.851 0.382 10.218 1.00 0.00 C ATOM 32 CG1 ILE A 3 6.512 0.968 11.467 1.00 0.00 C ATOM 33 CG2 ILE A 3 4.330 0.299 10.360 1.00 0.00 C ATOM 34 CD1 ILE A 3 5.980 0.297 12.735 1.00 0.00 C ATOM 0 H ILE A 3 8.210 -0.017 9.291 1.00 0.00 H new ATOM 0 HA ILE A 3 6.198 -1.636 10.712 1.00 0.00 H new ATOM 0 HB ILE A 3 6.061 1.063 9.393 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.592 0.836 11.407 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.324 2.041 11.513 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.933 1.284 10.605 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.895 -0.044 9.421 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.077 -0.403 11.155 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.466 0.732 13.608 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.903 0.452 12.804 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.191 -0.772 12.697 1.00 0.00 H new ATOM 46 N ASN A 4 5.221 -2.775 8.820 1.00 0.00 N ATOM 47 CA ASN A 4 4.912 -3.661 7.711 1.00 0.00 C ATOM 48 C ASN A 4 3.787 -4.613 8.123 1.00 0.00 C ATOM 49 O ASN A 4 3.802 -5.789 7.763 1.00 0.00 O ATOM 50 CB ASN A 4 6.128 -4.504 7.324 1.00 0.00 C ATOM 51 CG ASN A 4 6.509 -5.466 8.451 1.00 0.00 C ATOM 52 OD1 ASN A 4 6.164 -5.278 9.606 1.00 0.00 O ATOM 53 ND2 ASN A 4 7.237 -6.505 8.052 1.00 0.00 N ATOM 0 H ASN A 4 4.926 -3.118 9.734 1.00 0.00 H new ATOM 0 HA ASN A 4 4.615 -3.047 6.861 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.910 -5.068 6.417 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.971 -3.851 7.098 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.541 -7.205 8.729 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.491 -6.602 7.069 1.00 0.00 H new ATOM 60 N THR A 5 2.839 -4.069 8.871 1.00 0.00 N ATOM 61 CA THR A 5 1.651 -4.821 9.238 1.00 0.00 C ATOM 62 C THR A 5 0.391 -4.005 8.946 1.00 0.00 C ATOM 63 O THR A 5 0.453 -2.782 8.827 1.00 0.00 O ATOM 64 CB THR A 5 1.785 -5.228 10.707 1.00 0.00 C ATOM 65 OG1 THR A 5 1.800 -3.989 11.410 1.00 0.00 O ATOM 66 CG2 THR A 5 3.146 -5.852 11.020 1.00 0.00 C ATOM 0 H THR A 5 2.869 -3.116 9.233 1.00 0.00 H new ATOM 0 HA THR A 5 1.557 -5.728 8.641 1.00 0.00 H new ATOM 0 HB THR A 5 0.995 -5.935 10.961 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.883 -4.159 12.372 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.188 -6.123 12.075 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.286 -6.745 10.411 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.935 -5.134 10.798 1.00 0.00 H new ATOM 74 N PHE A 6 -0.723 -4.714 8.838 1.00 0.00 N ATOM 75 CA PHE A 6 -1.956 -4.104 8.370 1.00 0.00 C ATOM 76 C PHE A 6 -2.411 -2.991 9.317 1.00 0.00 C ATOM 77 O PHE A 6 -2.725 -1.887 8.876 1.00 0.00 O ATOM 78 CB PHE A 6 -3.019 -5.204 8.349 1.00 0.00 C ATOM 79 CG PHE A 6 -2.771 -6.289 7.298 1.00 0.00 C ATOM 80 CD1 PHE A 6 -2.916 -6.002 5.977 1.00 0.00 C ATOM 81 CD2 PHE A 6 -2.405 -7.540 7.686 1.00 0.00 C ATOM 82 CE1 PHE A 6 -2.686 -7.008 5.002 1.00 0.00 C ATOM 83 CE2 PHE A 6 -2.174 -8.546 6.711 1.00 0.00 C ATOM 84 CZ PHE A 6 -2.319 -8.259 5.390 1.00 0.00 C ATOM 0 H PHE A 6 -0.798 -5.705 9.067 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.803 -3.666 7.384 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.065 -5.670 9.333 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.993 -4.750 8.165 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.206 -5.008 5.669 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.290 -7.768 8.735 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.802 -6.780 3.953 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.883 -9.539 7.019 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.143 -9.024 4.649 1.00 0.00 H new ATOM 94 N ASP A 7 -2.431 -3.320 10.600 1.00 0.00 N ATOM 95 CA ASP A 7 -2.846 -2.363 11.611 1.00 0.00 C ATOM 96 C ASP A 7 -1.729 -1.339 11.827 1.00 0.00 C ATOM 97 O ASP A 7 -1.995 -0.188 12.170 1.00 0.00 O ATOM 98 CB ASP A 7 -3.115 -3.057 12.948 1.00 0.00 C ATOM 99 CG ASP A 7 -4.439 -3.819 13.025 1.00 0.00 C ATOM 100 OD1 ASP A 7 -5.485 -3.137 13.083 1.00 0.00 O ATOM 101 OD2 ASP A 7 -4.376 -5.068 13.025 1.00 0.00 O ATOM 0 H ASP A 7 -2.167 -4.236 10.963 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.760 -1.881 11.264 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.300 -3.753 13.150 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.098 -2.308 13.739 1.00 0.00 H new ATOM 106 N GLY A 8 -0.503 -1.795 11.616 1.00 0.00 N ATOM 107 CA GLY A 8 0.660 -0.969 11.889 1.00 0.00 C ATOM 108 C GLY A 8 0.706 0.240 10.952 1.00 0.00 C ATOM 109 O GLY A 8 0.780 1.380 11.407 1.00 0.00 O ATOM 0 H GLY A 8 -0.290 -2.726 11.259 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.635 -0.630 12.925 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.567 -1.561 11.769 1.00 0.00 H new ATOM 113 N VAL A 9 0.660 -0.051 9.660 1.00 0.00 N ATOM 114 CA VAL A 9 0.628 0.999 8.657 1.00 0.00 C ATOM 115 C VAL A 9 -0.627 1.852 8.858 1.00 0.00 C ATOM 116 O VAL A 9 -0.567 3.078 8.783 1.00 0.00 O ATOM 117 CB VAL A 9 0.718 0.389 7.257 1.00 0.00 C ATOM 118 CG1 VAL A 9 0.490 1.451 6.180 1.00 0.00 C ATOM 119 CG2 VAL A 9 2.058 -0.320 7.054 1.00 0.00 C ATOM 0 H VAL A 9 0.644 -0.999 9.285 1.00 0.00 H new ATOM 0 HA VAL A 9 1.490 1.657 8.766 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.072 -0.356 7.164 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.559 0.991 5.194 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.499 1.891 6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.247 2.230 6.271 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.097 -0.745 6.051 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.871 0.396 7.176 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.163 -1.117 7.790 1.00 0.00 H new ATOM 129 N ALA A 10 -1.734 1.168 9.109 1.00 0.00 N ATOM 130 CA ALA A 10 -3.015 1.841 9.243 1.00 0.00 C ATOM 131 C ALA A 10 -2.919 2.895 10.348 1.00 0.00 C ATOM 132 O ALA A 10 -3.563 3.940 10.272 1.00 0.00 O ATOM 133 CB ALA A 10 -4.109 0.807 9.516 1.00 0.00 C ATOM 0 H ALA A 10 -1.770 0.155 9.223 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.277 2.356 8.319 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.070 1.312 9.617 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.156 0.099 8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.882 0.272 10.438 1.00 0.00 H new ATOM 139 N ASP A 11 -2.110 2.583 11.351 1.00 0.00 N ATOM 140 CA ASP A 11 -2.010 3.435 12.524 1.00 0.00 C ATOM 141 C ASP A 11 -1.202 4.686 12.173 1.00 0.00 C ATOM 142 O ASP A 11 -1.531 5.785 12.616 1.00 0.00 O ATOM 143 CB ASP A 11 -1.294 2.714 13.668 1.00 0.00 C ATOM 144 CG ASP A 11 -2.198 2.271 14.820 1.00 0.00 C ATOM 145 OD1 ASP A 11 -3.236 1.643 14.517 1.00 0.00 O ATOM 146 OD2 ASP A 11 -1.831 2.570 15.976 1.00 0.00 O ATOM 0 H ASP A 11 -1.518 1.753 11.375 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.020 3.696 12.839 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.789 1.836 13.265 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.521 3.372 14.065 1.00 0.00 H new ATOM 151 N TYR A 12 -0.161 4.476 11.382 1.00 0.00 N ATOM 152 CA TYR A 12 0.751 5.555 11.043 1.00 0.00 C ATOM 153 C TYR A 12 0.073 6.581 10.132 1.00 0.00 C ATOM 154 O TYR A 12 0.384 7.770 10.191 1.00 0.00 O ATOM 155 CB TYR A 12 1.911 4.906 10.285 1.00 0.00 C ATOM 156 CG TYR A 12 3.149 4.647 11.145 1.00 0.00 C ATOM 157 CD1 TYR A 12 3.072 3.793 12.227 1.00 0.00 C ATOM 158 CD2 TYR A 12 4.344 5.268 10.840 1.00 0.00 C ATOM 159 CE1 TYR A 12 4.238 3.549 13.036 1.00 0.00 C ATOM 160 CE2 TYR A 12 5.509 5.024 11.649 1.00 0.00 C ATOM 161 CZ TYR A 12 5.399 4.177 12.708 1.00 0.00 C ATOM 162 OH TYR A 12 6.500 3.947 13.472 1.00 0.00 O ATOM 0 H TYR A 12 0.072 3.574 10.966 1.00 0.00 H new ATOM 0 HA TYR A 12 1.079 6.076 11.943 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.571 3.961 9.862 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.190 5.548 9.449 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.137 3.308 12.467 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.404 5.937 9.994 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.192 2.882 13.884 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.450 5.503 11.420 1.00 0.00 H new ATOM 0 HH TYR A 12 7.256 4.461 13.119 1.00 0.00 H new ATOM 172 N LEU A 13 -0.841 6.084 9.312 1.00 0.00 N ATOM 173 CA LEU A 13 -1.712 6.957 8.545 1.00 0.00 C ATOM 174 C LEU A 13 -2.405 7.939 9.492 1.00 0.00 C ATOM 175 O LEU A 13 -2.325 9.152 9.302 1.00 0.00 O ATOM 176 CB LEU A 13 -2.682 6.134 7.694 1.00 0.00 C ATOM 177 CG LEU A 13 -2.142 5.640 6.350 1.00 0.00 C ATOM 178 CD1 LEU A 13 -2.447 4.154 6.150 1.00 0.00 C ATOM 179 CD2 LEU A 13 -2.674 6.495 5.199 1.00 0.00 C ATOM 0 H LEU A 13 -0.997 5.087 9.162 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.131 7.551 7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.000 5.269 8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.571 6.736 7.507 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.057 5.748 6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.053 3.828 5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.980 3.576 6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.526 3.998 6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.275 6.123 4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.763 6.442 5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.364 7.530 5.341 1.00 0.00 H new ATOM 191 N ILE A 14 -3.070 7.378 10.491 1.00 0.00 N ATOM 192 CA ILE A 14 -3.801 8.188 11.451 1.00 0.00 C ATOM 193 C ILE A 14 -2.836 9.160 12.132 1.00 0.00 C ATOM 194 O ILE A 14 -3.149 10.338 12.297 1.00 0.00 O ATOM 195 CB ILE A 14 -4.569 7.296 12.429 1.00 0.00 C ATOM 196 CG1 ILE A 14 -5.929 6.895 11.855 1.00 0.00 C ATOM 197 CG2 ILE A 14 -4.700 7.969 13.797 1.00 0.00 C ATOM 198 CD1 ILE A 14 -6.961 8.005 12.063 1.00 0.00 C ATOM 0 H ILE A 14 -3.118 6.373 10.657 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.555 8.791 10.945 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.999 6.379 12.574 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.830 6.681 10.791 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.274 5.979 12.334 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.250 7.314 14.473 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.707 8.161 14.205 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.236 8.912 13.689 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.919 7.694 11.646 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.076 8.200 13.129 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.625 8.913 11.562 1.00 0.00 H new ATOM 210 N ARG A 15 -1.681 8.631 12.509 1.00 0.00 N ATOM 211 CA ARG A 15 -0.840 9.293 13.490 1.00 0.00 C ATOM 212 C ARG A 15 -0.099 10.468 12.848 1.00 0.00 C ATOM 213 O ARG A 15 -0.303 11.619 13.232 1.00 0.00 O ATOM 214 CB ARG A 15 0.181 8.321 14.087 1.00 0.00 C ATOM 215 CG ARG A 15 0.452 8.645 15.557 1.00 0.00 C ATOM 216 CD ARG A 15 1.318 7.564 16.206 1.00 0.00 C ATOM 217 NE ARG A 15 0.557 6.298 16.306 1.00 0.00 N ATOM 218 CZ ARG A 15 -0.389 6.062 17.225 1.00 0.00 C ATOM 219 NH1 ARG A 15 -0.670 6.988 18.151 1.00 0.00 N ATOM 220 NH2 ARG A 15 -1.053 4.898 17.218 1.00 0.00 N ATOM 0 H ARG A 15 -1.308 7.751 12.152 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.487 9.658 14.288 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.189 7.300 13.998 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.112 8.373 13.522 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.951 9.611 15.634 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.492 8.731 16.094 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.222 7.409 15.617 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.635 7.887 17.198 1.00 0.00 H new ATOM 0 HE ARG A 15 0.766 5.560 15.634 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.164 7.873 18.157 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.390 6.808 18.850 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.838 4.192 16.513 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.773 4.718 17.917 1.00 0.00 H new ATOM 234 N TYR A 16 0.744 10.138 11.881 1.00 0.00 N ATOM 235 CA TYR A 16 1.621 11.129 11.282 1.00 0.00 C ATOM 236 C TYR A 16 0.956 11.790 10.073 1.00 0.00 C ATOM 237 O TYR A 16 1.537 12.676 9.448 1.00 0.00 O ATOM 238 CB TYR A 16 2.862 10.366 10.813 1.00 0.00 C ATOM 239 CG TYR A 16 3.640 9.689 11.943 1.00 0.00 C ATOM 240 CD1 TYR A 16 4.508 10.428 12.721 1.00 0.00 C ATOM 241 CD2 TYR A 16 3.475 8.341 12.183 1.00 0.00 C ATOM 242 CE1 TYR A 16 5.241 9.791 13.785 1.00 0.00 C ATOM 243 CE2 TYR A 16 4.208 7.704 13.246 1.00 0.00 C ATOM 244 CZ TYR A 16 5.055 8.460 13.995 1.00 0.00 C ATOM 245 OH TYR A 16 5.747 7.859 14.999 1.00 0.00 O ATOM 0 H TYR A 16 0.838 9.198 11.497 1.00 0.00 H new ATOM 0 HA TYR A 16 1.860 11.914 12.000 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.559 9.609 10.090 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.525 11.057 10.292 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.638 11.483 12.532 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.796 7.763 11.574 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.923 10.357 14.402 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.088 6.649 13.444 1.00 0.00 H new ATOM 0 HH TYR A 16 5.514 6.908 15.033 1.00 0.00 H new ATOM 255 N LYS A 17 -0.252 11.334 9.780 1.00 0.00 N ATOM 256 CA LYS A 17 -1.008 11.878 8.664 1.00 0.00 C ATOM 257 C LYS A 17 -0.290 11.540 7.356 1.00 0.00 C ATOM 258 O LYS A 17 -0.306 12.330 6.413 1.00 0.00 O ATOM 259 CB LYS A 17 -1.252 13.375 8.862 1.00 0.00 C ATOM 260 CG LYS A 17 -1.777 13.664 10.270 1.00 0.00 C ATOM 261 CD LYS A 17 -3.153 13.029 10.483 1.00 0.00 C ATOM 262 CE LYS A 17 -3.736 13.426 11.841 1.00 0.00 C ATOM 263 NZ LYS A 17 -4.899 12.574 12.175 1.00 0.00 N ATOM 0 H LYS A 17 -0.727 10.593 10.296 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.996 11.421 8.614 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.325 13.923 8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.969 13.731 8.122 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.076 13.278 11.010 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.842 14.741 10.424 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.829 13.342 9.687 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.070 11.944 10.422 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.973 13.329 12.613 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.038 14.473 11.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.334 12.911 13.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.597 12.621 11.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.585 11.590 12.297 1.00 0.00 H new ATOM 277 N ARG A 18 0.321 10.365 7.339 1.00 0.00 N ATOM 278 CA ARG A 18 0.859 9.818 6.105 1.00 0.00 C ATOM 279 C ARG A 18 1.311 8.372 6.319 1.00 0.00 C ATOM 280 O ARG A 18 1.350 7.890 7.450 1.00 0.00 O ATOM 281 CB ARG A 18 2.043 10.647 5.605 1.00 0.00 C ATOM 282 CG ARG A 18 2.953 11.058 6.764 1.00 0.00 C ATOM 283 CD ARG A 18 4.269 11.644 6.247 1.00 0.00 C ATOM 284 NE ARG A 18 5.167 11.950 7.382 1.00 0.00 N ATOM 285 CZ ARG A 18 4.965 12.948 8.253 1.00 0.00 C ATOM 286 NH1 ARG A 18 3.988 13.839 8.036 1.00 0.00 N ATOM 287 NH2 ARG A 18 5.739 13.055 9.342 1.00 0.00 N ATOM 0 H ARG A 18 0.456 9.776 8.161 1.00 0.00 H new ATOM 0 HA ARG A 18 0.068 9.848 5.356 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.614 10.070 4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.678 11.536 5.092 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.444 11.793 7.388 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.159 10.193 7.394 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.751 10.937 5.572 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.073 12.550 5.673 1.00 0.00 H new ATOM 0 HE ARG A 18 5.992 11.364 7.510 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.398 13.757 7.208 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.834 14.599 8.699 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.482 12.377 9.508 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.585 13.815 10.005 1.00 0.00 H new ATOM 301 N LEU A 19 1.643 7.720 5.214 1.00 0.00 N ATOM 302 CA LEU A 19 2.365 6.461 5.276 1.00 0.00 C ATOM 303 C LEU A 19 3.665 6.661 6.059 1.00 0.00 C ATOM 304 O LEU A 19 4.084 7.793 6.293 1.00 0.00 O ATOM 305 CB LEU A 19 2.575 5.894 3.870 1.00 0.00 C ATOM 306 CG LEU A 19 1.341 5.284 3.202 1.00 0.00 C ATOM 307 CD1 LEU A 19 1.611 4.980 1.727 1.00 0.00 C ATOM 308 CD2 LEU A 19 0.860 4.047 3.964 1.00 0.00 C ATOM 0 H LEU A 19 1.425 8.040 4.271 1.00 0.00 H new ATOM 0 HA LEU A 19 1.781 5.713 5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.953 6.692 3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.352 5.131 3.920 1.00 0.00 H new ATOM 0 HG LEU A 19 0.535 6.017 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.718 4.547 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.870 5.902 1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.437 4.274 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.018 3.633 3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.653 3.299 3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.602 4.326 4.985 1.00 0.00 H new ATOM 320 N PRO A 20 4.282 5.514 6.451 1.00 0.00 N ATOM 321 CA PRO A 20 5.653 5.529 6.933 1.00 0.00 C ATOM 322 C PRO A 20 6.638 5.705 5.776 1.00 0.00 C ATOM 323 O PRO A 20 6.275 5.528 4.614 1.00 0.00 O ATOM 324 CB PRO A 20 5.826 4.209 7.666 1.00 0.00 C ATOM 325 CG PRO A 20 4.706 3.308 7.173 1.00 0.00 C ATOM 326 CD PRO A 20 3.693 4.178 6.446 1.00 0.00 C ATOM 0 HA PRO A 20 5.857 6.368 7.598 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.801 3.770 7.455 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.767 4.351 8.745 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.099 2.541 6.506 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.235 2.792 8.010 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.524 3.824 5.429 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.727 4.169 6.952 1.00 0.00 H new ATOM 334 N ASP A 21 7.866 6.051 6.134 1.00 0.00 N ATOM 335 CA ASP A 21 8.827 6.525 5.152 1.00 0.00 C ATOM 336 C ASP A 21 9.614 5.335 4.600 1.00 0.00 C ATOM 337 O ASP A 21 10.521 5.509 3.788 1.00 0.00 O ATOM 338 CB ASP A 21 9.823 7.500 5.782 1.00 0.00 C ATOM 339 CG ASP A 21 10.761 8.195 4.793 1.00 0.00 C ATOM 340 OD1 ASP A 21 10.250 9.035 4.021 1.00 0.00 O ATOM 341 OD2 ASP A 21 11.968 7.871 4.831 1.00 0.00 O ATOM 0 H ASP A 21 8.218 6.013 7.091 1.00 0.00 H new ATOM 0 HA ASP A 21 8.277 7.034 4.360 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.267 8.262 6.329 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.425 6.959 6.512 1.00 0.00 H new ATOM 346 N ASN A 22 9.240 4.151 5.064 1.00 0.00 N ATOM 347 CA ASN A 22 9.907 2.934 4.636 1.00 0.00 C ATOM 348 C ASN A 22 9.354 2.506 3.275 1.00 0.00 C ATOM 349 O ASN A 22 9.877 1.585 2.650 1.00 0.00 O ATOM 350 CB ASN A 22 9.661 1.794 5.626 1.00 0.00 C ATOM 351 CG ASN A 22 8.172 1.450 5.709 1.00 0.00 C ATOM 352 OD1 ASN A 22 7.306 2.255 5.410 1.00 0.00 O ATOM 353 ND2 ASN A 22 7.925 0.213 6.130 1.00 0.00 N ATOM 0 H ASN A 22 8.483 4.009 5.733 1.00 0.00 H new ATOM 0 HA ASN A 22 10.976 3.138 4.579 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.225 0.913 5.319 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.027 2.079 6.612 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.963 -0.113 6.219 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.698 -0.410 6.364 1.00 0.00 H new ATOM 360 N TYR A 23 8.302 3.195 2.856 1.00 0.00 N ATOM 361 CA TYR A 23 7.759 2.995 1.524 1.00 0.00 C ATOM 362 C TYR A 23 8.134 4.155 0.599 1.00 0.00 C ATOM 363 O TYR A 23 7.868 5.314 0.912 1.00 0.00 O ATOM 364 CB TYR A 23 6.239 2.961 1.689 1.00 0.00 C ATOM 365 CG TYR A 23 5.741 1.876 2.646 1.00 0.00 C ATOM 366 CD1 TYR A 23 6.446 0.698 2.781 1.00 0.00 C ATOM 367 CD2 TYR A 23 4.585 2.076 3.374 1.00 0.00 C ATOM 368 CE1 TYR A 23 5.978 -0.323 3.682 1.00 0.00 C ATOM 369 CE2 TYR A 23 4.116 1.055 4.275 1.00 0.00 C ATOM 370 CZ TYR A 23 4.836 -0.094 4.384 1.00 0.00 C ATOM 371 OH TYR A 23 4.393 -1.059 5.235 1.00 0.00 O ATOM 0 H TYR A 23 7.812 3.892 3.416 1.00 0.00 H new ATOM 0 HA TYR A 23 8.152 2.079 1.083 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.901 3.932 2.050 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.781 2.807 0.712 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.350 0.541 2.211 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.033 2.998 3.268 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.521 -1.249 3.798 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.214 1.198 4.851 1.00 0.00 H new ATOM 0 HH TYR A 23 4.892 -1.007 6.077 1.00 0.00 H new ATOM 381 N ILE A 24 8.747 3.802 -0.522 1.00 0.00 N ATOM 382 CA ILE A 24 8.937 4.754 -1.602 1.00 0.00 C ATOM 383 C ILE A 24 7.918 4.474 -2.709 1.00 0.00 C ATOM 384 O ILE A 24 7.187 3.486 -2.649 1.00 0.00 O ATOM 385 CB ILE A 24 10.389 4.734 -2.084 1.00 0.00 C ATOM 386 CG1 ILE A 24 10.783 3.342 -2.582 1.00 0.00 C ATOM 387 CG2 ILE A 24 11.336 5.243 -0.995 1.00 0.00 C ATOM 388 CD1 ILE A 24 12.084 3.394 -3.385 1.00 0.00 C ATOM 0 H ILE A 24 9.118 2.870 -0.705 1.00 0.00 H new ATOM 0 HA ILE A 24 8.755 5.770 -1.251 1.00 0.00 H new ATOM 0 HB ILE A 24 10.477 5.415 -2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.902 2.669 -1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.985 2.935 -3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.361 5.218 -1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.070 6.266 -0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.252 4.607 -0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.341 2.391 -3.727 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.954 4.049 -4.247 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.886 3.779 -2.755 1.00 0.00 H new ATOM 400 N THR A 25 7.903 5.360 -3.693 1.00 0.00 N ATOM 401 CA THR A 25 6.986 5.221 -4.812 1.00 0.00 C ATOM 402 C THR A 25 7.613 4.363 -5.912 1.00 0.00 C ATOM 403 O THR A 25 8.814 4.100 -5.890 1.00 0.00 O ATOM 404 CB THR A 25 6.596 6.624 -5.282 1.00 0.00 C ATOM 405 OG1 THR A 25 7.774 7.399 -5.073 1.00 0.00 O ATOM 406 CG2 THR A 25 5.553 7.277 -4.373 1.00 0.00 C ATOM 0 H THR A 25 8.511 6.177 -3.739 1.00 0.00 H new ATOM 0 HA THR A 25 6.077 4.699 -4.515 1.00 0.00 H new ATOM 0 HB THR A 25 6.208 6.572 -6.299 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.611 8.324 -5.353 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.312 8.270 -4.751 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.651 6.666 -4.357 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.953 7.361 -3.362 1.00 0.00 H new ATOM 414 N LYS A 26 6.772 3.952 -6.849 1.00 0.00 N ATOM 415 CA LYS A 26 7.241 3.187 -7.992 1.00 0.00 C ATOM 416 C LYS A 26 8.327 3.980 -8.721 1.00 0.00 C ATOM 417 O LYS A 26 9.343 3.419 -9.129 1.00 0.00 O ATOM 418 CB LYS A 26 6.066 2.787 -8.888 1.00 0.00 C ATOM 419 CG LYS A 26 5.156 1.780 -8.181 1.00 0.00 C ATOM 420 CD LYS A 26 3.866 1.558 -8.973 1.00 0.00 C ATOM 421 CE LYS A 26 2.831 0.804 -8.135 1.00 0.00 C ATOM 422 NZ LYS A 26 3.206 -0.622 -8.007 1.00 0.00 N ATOM 0 H LYS A 26 5.768 4.134 -6.840 1.00 0.00 H new ATOM 0 HA LYS A 26 7.695 2.252 -7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.492 3.673 -9.159 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.442 2.355 -9.815 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.681 0.832 -8.060 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.916 2.141 -7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.457 2.519 -9.285 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.084 0.995 -9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.756 1.256 -7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.848 0.887 -8.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.493 -1.119 -7.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.255 -1.054 -8.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.134 -0.697 -7.544 1.00 0.00 H new ATOM 436 N SER A 27 8.075 5.274 -8.863 1.00 0.00 N ATOM 437 CA SER A 27 8.965 6.129 -9.630 1.00 0.00 C ATOM 438 C SER A 27 10.368 6.104 -9.022 1.00 0.00 C ATOM 439 O SER A 27 11.363 6.135 -9.746 1.00 0.00 O ATOM 440 CB SER A 27 8.436 7.564 -9.685 1.00 0.00 C ATOM 441 OG SER A 27 7.107 7.624 -10.197 1.00 0.00 O ATOM 0 H SER A 27 7.268 5.750 -8.460 1.00 0.00 H new ATOM 0 HA SER A 27 9.012 5.747 -10.650 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.459 7.997 -8.685 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.093 8.169 -10.310 1.00 0.00 H new ATOM 0 HG SER A 27 6.805 8.556 -10.215 1.00 0.00 H new ATOM 447 N GLN A 28 10.405 6.048 -7.699 1.00 0.00 N ATOM 448 CA GLN A 28 11.664 6.146 -6.980 1.00 0.00 C ATOM 449 C GLN A 28 12.447 4.837 -7.101 1.00 0.00 C ATOM 450 O GLN A 28 13.650 4.851 -7.357 1.00 0.00 O ATOM 451 CB GLN A 28 11.431 6.511 -5.513 1.00 0.00 C ATOM 452 CG GLN A 28 10.887 7.936 -5.383 1.00 0.00 C ATOM 453 CD GLN A 28 11.991 8.968 -5.623 1.00 0.00 C ATOM 454 OE1 GLN A 28 12.106 9.557 -6.685 1.00 0.00 O ATOM 455 NE2 GLN A 28 12.795 9.152 -4.579 1.00 0.00 N ATOM 0 H GLN A 28 9.583 5.936 -7.106 1.00 0.00 H new ATOM 0 HA GLN A 28 12.255 6.944 -7.429 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.728 5.807 -5.066 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.366 6.423 -4.959 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.080 8.088 -6.100 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.462 8.078 -4.389 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.642 8.626 -3.719 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.564 9.820 -4.639 1.00 0.00 H new ATOM 464 N ALA A 29 11.733 3.737 -6.911 1.00 0.00 N ATOM 465 CA ALA A 29 12.307 2.423 -7.144 1.00 0.00 C ATOM 466 C ALA A 29 12.916 2.378 -8.546 1.00 0.00 C ATOM 467 O ALA A 29 14.033 1.895 -8.726 1.00 0.00 O ATOM 468 CB ALA A 29 11.232 1.353 -6.941 1.00 0.00 C ATOM 0 H ALA A 29 10.762 3.729 -6.598 1.00 0.00 H new ATOM 0 HA ALA A 29 13.107 2.222 -6.431 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.662 0.367 -7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.852 1.408 -5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.414 1.521 -7.642 1.00 0.00 H new ATOM 474 N SER A 30 12.156 2.888 -9.504 1.00 0.00 N ATOM 475 CA SER A 30 12.554 2.805 -10.899 1.00 0.00 C ATOM 476 C SER A 30 13.832 3.614 -11.128 1.00 0.00 C ATOM 477 O SER A 30 14.716 3.188 -11.868 1.00 0.00 O ATOM 478 CB SER A 30 11.438 3.303 -11.820 1.00 0.00 C ATOM 479 OG SER A 30 10.666 2.229 -12.352 1.00 0.00 O ATOM 0 H SER A 30 11.267 3.360 -9.342 1.00 0.00 H new ATOM 0 HA SER A 30 12.747 1.759 -11.138 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.786 3.979 -11.267 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.872 3.877 -12.638 1.00 0.00 H new ATOM 0 HG SER A 30 10.525 1.552 -11.658 1.00 0.00 H new ATOM 485 N ALA A 31 13.888 4.768 -10.479 1.00 0.00 N ATOM 486 CA ALA A 31 15.052 5.631 -10.585 1.00 0.00 C ATOM 487 C ALA A 31 16.280 4.892 -10.050 1.00 0.00 C ATOM 488 O ALA A 31 17.377 5.032 -10.589 1.00 0.00 O ATOM 489 CB ALA A 31 14.787 6.940 -9.838 1.00 0.00 C ATOM 0 H ALA A 31 13.146 5.125 -9.878 1.00 0.00 H new ATOM 0 HA ALA A 31 15.248 5.885 -11.627 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.660 7.587 -9.917 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.923 7.440 -10.276 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.588 6.726 -8.788 1.00 0.00 H new ATOM 495 N LEU A 32 16.054 4.121 -8.996 1.00 0.00 N ATOM 496 CA LEU A 32 17.134 3.379 -8.367 1.00 0.00 C ATOM 497 C LEU A 32 17.532 2.206 -9.266 1.00 0.00 C ATOM 498 O LEU A 32 18.622 1.654 -9.125 1.00 0.00 O ATOM 499 CB LEU A 32 16.741 2.961 -6.949 1.00 0.00 C ATOM 500 CG LEU A 32 16.591 4.095 -5.933 1.00 0.00 C ATOM 501 CD1 LEU A 32 15.784 3.638 -4.716 1.00 0.00 C ATOM 502 CD2 LEU A 32 17.956 4.660 -5.536 1.00 0.00 C ATOM 0 H LEU A 32 15.140 3.994 -8.562 1.00 0.00 H new ATOM 0 HA LEU A 32 18.016 4.010 -8.256 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.797 2.418 -7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.491 2.263 -6.576 1.00 0.00 H new ATOM 0 HG LEU A 32 16.033 4.904 -6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.692 4.463 -4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.791 3.322 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.293 2.803 -4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.821 5.464 -4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.561 3.870 -5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.460 5.048 -6.421 1.00 0.00 H new ATOM 514 N GLY A 33 16.626 1.861 -10.169 1.00 0.00 N ATOM 515 CA GLY A 33 16.964 0.965 -11.262 1.00 0.00 C ATOM 516 C GLY A 33 16.189 -0.350 -11.153 1.00 0.00 C ATOM 517 O GLY A 33 16.503 -1.319 -11.841 1.00 0.00 O ATOM 0 H GLY A 33 15.659 2.185 -10.166 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.739 1.446 -12.214 1.00 0.00 H new ATOM 0 HA3 GLY A 33 18.035 0.762 -11.253 1.00 0.00 H new ATOM 521 N TRP A 34 15.190 -0.340 -10.283 1.00 0.00 N ATOM 522 CA TRP A 34 14.216 -1.417 -10.249 1.00 0.00 C ATOM 523 C TRP A 34 13.531 -1.479 -11.616 1.00 0.00 C ATOM 524 O TRP A 34 13.291 -0.447 -12.241 1.00 0.00 O ATOM 525 CB TRP A 34 13.229 -1.229 -9.095 1.00 0.00 C ATOM 526 CG TRP A 34 11.939 -2.038 -9.241 1.00 0.00 C ATOM 527 CD1 TRP A 34 11.779 -3.364 -9.133 1.00 0.00 C ATOM 528 CD2 TRP A 34 10.624 -1.515 -9.528 1.00 0.00 C ATOM 529 NE1 TRP A 34 10.464 -3.733 -9.329 1.00 0.00 N ATOM 530 CE2 TRP A 34 9.739 -2.573 -9.576 1.00 0.00 C ATOM 531 CE3 TRP A 34 10.197 -0.193 -9.739 1.00 0.00 C ATOM 532 CZ2 TRP A 34 8.372 -2.418 -9.835 1.00 0.00 C ATOM 533 CZ3 TRP A 34 8.828 -0.054 -9.996 1.00 0.00 C ATOM 534 CH2 TRP A 34 7.924 -1.109 -10.048 1.00 0.00 C ATOM 0 H TRP A 34 15.034 0.398 -9.596 1.00 0.00 H new ATOM 0 HA TRP A 34 14.706 -2.372 -10.061 1.00 0.00 H new ATOM 0 HB2 TRP A 34 13.718 -1.510 -8.163 1.00 0.00 H new ATOM 0 HB3 TRP A 34 12.976 -0.172 -9.016 1.00 0.00 H new ATOM 0 HD1 TRP A 34 12.579 -4.057 -8.919 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.092 -4.682 -9.298 1.00 0.00 H new ATOM 0 HE3 TRP A 34 10.872 0.649 -9.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 7.700 -3.262 -9.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 8.447 0.942 -10.166 1.00 0.00 H new ATOM 0 HH2 TRP A 34 6.880 -0.919 -10.252 1.00 0.00 H new ATOM 545 N VAL A 35 13.237 -2.699 -12.041 1.00 0.00 N ATOM 546 CA VAL A 35 12.412 -2.902 -13.220 1.00 0.00 C ATOM 547 C VAL A 35 11.248 -3.831 -12.869 1.00 0.00 C ATOM 548 O VAL A 35 11.422 -4.798 -12.129 1.00 0.00 O ATOM 549 CB VAL A 35 13.269 -3.427 -14.373 1.00 0.00 C ATOM 550 CG1 VAL A 35 12.461 -3.492 -15.671 1.00 0.00 C ATOM 551 CG2 VAL A 35 14.528 -2.576 -14.553 1.00 0.00 C ATOM 0 H VAL A 35 13.555 -3.557 -11.590 1.00 0.00 H new ATOM 0 HA VAL A 35 11.984 -1.957 -13.554 1.00 0.00 H new ATOM 0 HB VAL A 35 13.583 -4.440 -14.122 1.00 0.00 H new ATOM 0 HG11 VAL A 35 13.094 -3.868 -16.475 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.610 -4.159 -15.537 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.104 -2.495 -15.927 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.119 -2.971 -15.379 1.00 0.00 H new ATOM 0 HG22 VAL A 35 14.243 -1.547 -14.770 1.00 0.00 H new ATOM 0 HG23 VAL A 35 15.120 -2.603 -13.638 1.00 0.00 H new ATOM 561 N ALA A 36 10.087 -3.505 -13.417 1.00 0.00 N ATOM 562 CA ALA A 36 8.886 -4.274 -13.138 1.00 0.00 C ATOM 563 C ALA A 36 8.823 -5.474 -14.084 1.00 0.00 C ATOM 564 O ALA A 36 7.869 -5.619 -14.848 1.00 0.00 O ATOM 565 CB ALA A 36 7.659 -3.368 -13.264 1.00 0.00 C ATOM 0 H ALA A 36 9.952 -2.719 -14.053 1.00 0.00 H new ATOM 0 HA ALA A 36 8.905 -4.658 -12.118 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.758 -3.945 -13.055 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.738 -2.547 -12.551 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.606 -2.966 -14.276 1.00 0.00 H new ATOM 571 N SER A 37 9.851 -6.306 -14.003 1.00 0.00 N ATOM 572 CA SER A 37 9.957 -7.455 -14.886 1.00 0.00 C ATOM 573 C SER A 37 11.117 -8.349 -14.446 1.00 0.00 C ATOM 574 O SER A 37 10.936 -9.548 -14.235 1.00 0.00 O ATOM 575 CB SER A 37 10.147 -7.017 -16.340 1.00 0.00 C ATOM 576 OG SER A 37 10.391 -8.123 -17.204 1.00 0.00 O ATOM 0 H SER A 37 10.619 -6.207 -13.339 1.00 0.00 H new ATOM 0 HA SER A 37 9.027 -8.020 -14.823 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.258 -6.483 -16.677 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.981 -6.318 -16.402 1.00 0.00 H new ATOM 0 HG SER A 37 10.505 -7.801 -18.123 1.00 0.00 H new ATOM 582 N LYS A 38 12.283 -7.733 -14.319 1.00 0.00 N ATOM 583 CA LYS A 38 13.469 -8.455 -13.894 1.00 0.00 C ATOM 584 C LYS A 38 14.134 -7.703 -12.740 1.00 0.00 C ATOM 585 O LYS A 38 14.041 -6.479 -12.657 1.00 0.00 O ATOM 586 CB LYS A 38 14.400 -8.703 -15.083 1.00 0.00 C ATOM 587 CG LYS A 38 13.705 -9.541 -16.158 1.00 0.00 C ATOM 588 CD LYS A 38 14.654 -9.837 -17.321 1.00 0.00 C ATOM 589 CE LYS A 38 13.986 -10.743 -18.358 1.00 0.00 C ATOM 590 NZ LYS A 38 12.888 -10.024 -19.043 1.00 0.00 N ATOM 0 H LYS A 38 12.431 -6.741 -14.503 1.00 0.00 H new ATOM 0 HA LYS A 38 13.199 -9.442 -13.518 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.716 -7.750 -15.507 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.301 -9.215 -14.744 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.353 -10.477 -15.724 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.827 -9.011 -16.526 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.960 -8.903 -17.792 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.558 -10.315 -16.944 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.723 -11.074 -19.089 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.596 -11.637 -17.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.558 -10.586 -19.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.101 -9.878 -18.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.233 -9.102 -19.379 1.00 0.00 H new ATOM 604 N GLY A 39 14.789 -8.466 -11.877 1.00 0.00 N ATOM 605 CA GLY A 39 15.421 -7.893 -10.701 1.00 0.00 C ATOM 606 C GLY A 39 14.379 -7.529 -9.641 1.00 0.00 C ATOM 607 O GLY A 39 13.590 -6.604 -9.833 1.00 0.00 O ATOM 0 H GLY A 39 14.896 -9.476 -11.969 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.135 -8.604 -10.285 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.984 -7.003 -10.983 1.00 0.00 H new ATOM 611 N ASN A 40 14.409 -8.274 -8.546 1.00 0.00 N ATOM 612 CA ASN A 40 13.442 -8.077 -7.480 1.00 0.00 C ATOM 613 C ASN A 40 13.718 -6.740 -6.788 1.00 0.00 C ATOM 614 O ASN A 40 14.779 -6.147 -6.976 1.00 0.00 O ATOM 615 CB ASN A 40 13.548 -9.184 -6.429 1.00 0.00 C ATOM 616 CG ASN A 40 14.934 -9.193 -5.780 1.00 0.00 C ATOM 617 OD1 ASN A 40 15.923 -9.591 -6.374 1.00 0.00 O ATOM 618 ND2 ASN A 40 14.950 -8.734 -4.532 1.00 0.00 N ATOM 0 H ASN A 40 15.088 -9.015 -8.374 1.00 0.00 H new ATOM 0 HA ASN A 40 12.445 -8.093 -7.921 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.785 -9.038 -5.664 1.00 0.00 H new ATOM 0 HB3 ASN A 40 13.354 -10.151 -6.893 1.00 0.00 H new ATOM 0 HD21 ASN A 40 15.827 -8.700 -4.012 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.085 -8.416 -4.094 1.00 0.00 H new ATOM 625 N LEU A 41 12.744 -6.305 -6.003 1.00 0.00 N ATOM 626 CA LEU A 41 12.738 -4.940 -5.504 1.00 0.00 C ATOM 627 C LEU A 41 13.881 -4.762 -4.504 1.00 0.00 C ATOM 628 O LEU A 41 14.756 -3.920 -4.699 1.00 0.00 O ATOM 629 CB LEU A 41 11.363 -4.583 -4.936 1.00 0.00 C ATOM 630 CG LEU A 41 11.093 -3.093 -4.718 1.00 0.00 C ATOM 631 CD1 LEU A 41 11.200 -2.319 -6.034 1.00 0.00 C ATOM 632 CD2 LEU A 41 9.743 -2.875 -4.032 1.00 0.00 C ATOM 0 H LEU A 41 11.953 -6.873 -5.700 1.00 0.00 H new ATOM 0 HA LEU A 41 12.914 -4.236 -6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.601 -4.975 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.241 -5.097 -3.983 1.00 0.00 H new ATOM 0 HG LEU A 41 11.860 -2.700 -4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.004 -1.262 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.203 -2.436 -6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.470 -2.706 -6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.576 -1.807 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.948 -3.287 -4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.742 -3.375 -3.064 1.00 0.00 H new ATOM 644 N ALA A 42 13.838 -5.570 -3.454 1.00 0.00 N ATOM 645 CA ALA A 42 14.706 -5.356 -2.308 1.00 0.00 C ATOM 646 C ALA A 42 16.157 -5.267 -2.784 1.00 0.00 C ATOM 647 O ALA A 42 16.979 -4.596 -2.160 1.00 0.00 O ATOM 648 CB ALA A 42 14.493 -6.477 -1.290 1.00 0.00 C ATOM 0 H ALA A 42 13.215 -6.374 -3.373 1.00 0.00 H new ATOM 0 HA ALA A 42 14.464 -4.416 -1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 42 15.144 -6.317 -0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.453 -6.478 -0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 42 14.730 -7.436 -1.750 1.00 0.00 H new ATOM 654 N GLU A 43 16.429 -5.953 -3.884 1.00 0.00 N ATOM 655 CA GLU A 43 17.777 -5.998 -4.424 1.00 0.00 C ATOM 656 C GLU A 43 18.278 -4.583 -4.721 1.00 0.00 C ATOM 657 O GLU A 43 19.376 -4.210 -4.310 1.00 0.00 O ATOM 658 CB GLU A 43 17.838 -6.875 -5.676 1.00 0.00 C ATOM 659 CG GLU A 43 19.263 -6.947 -6.227 1.00 0.00 C ATOM 660 CD GLU A 43 20.216 -7.567 -5.203 1.00 0.00 C ATOM 661 OE1 GLU A 43 19.998 -8.752 -4.869 1.00 0.00 O ATOM 662 OE2 GLU A 43 21.141 -6.842 -4.776 1.00 0.00 O ATOM 0 H GLU A 43 15.739 -6.482 -4.416 1.00 0.00 H new ATOM 0 HA GLU A 43 18.432 -6.445 -3.676 1.00 0.00 H new ATOM 0 HB2 GLU A 43 17.485 -7.879 -5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 43 17.170 -6.474 -6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 43 19.273 -7.538 -7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.606 -5.946 -6.489 1.00 0.00 H new ATOM 669 N VAL A 44 17.449 -3.833 -5.431 1.00 0.00 N ATOM 670 CA VAL A 44 17.886 -2.573 -6.007 1.00 0.00 C ATOM 671 C VAL A 44 17.527 -1.431 -5.054 1.00 0.00 C ATOM 672 O VAL A 44 18.234 -0.426 -4.990 1.00 0.00 O ATOM 673 CB VAL A 44 17.284 -2.398 -7.403 1.00 0.00 C ATOM 674 CG1 VAL A 44 17.755 -1.091 -8.043 1.00 0.00 C ATOM 675 CG2 VAL A 44 17.613 -3.596 -8.296 1.00 0.00 C ATOM 0 H VAL A 44 16.476 -4.074 -5.621 1.00 0.00 H new ATOM 0 HA VAL A 44 18.969 -2.565 -6.132 1.00 0.00 H new ATOM 0 HB VAL A 44 16.200 -2.347 -7.297 1.00 0.00 H new ATOM 0 HG11 VAL A 44 17.313 -0.991 -9.034 1.00 0.00 H new ATOM 0 HG12 VAL A 44 17.447 -0.250 -7.422 1.00 0.00 H new ATOM 0 HG13 VAL A 44 18.842 -1.099 -8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 44 17.173 -3.446 -9.282 1.00 0.00 H new ATOM 0 HG22 VAL A 44 18.695 -3.692 -8.392 1.00 0.00 H new ATOM 0 HG23 VAL A 44 17.206 -4.504 -7.851 1.00 0.00 H new ATOM 685 N ALA A 45 16.429 -1.623 -4.338 1.00 0.00 N ATOM 686 CA ALA A 45 16.035 -0.680 -3.305 1.00 0.00 C ATOM 687 C ALA A 45 15.754 -1.440 -2.007 1.00 0.00 C ATOM 688 O ALA A 45 14.612 -1.801 -1.730 1.00 0.00 O ATOM 689 CB ALA A 45 14.825 0.125 -3.783 1.00 0.00 C ATOM 0 H ALA A 45 15.800 -2.418 -4.453 1.00 0.00 H new ATOM 0 HA ALA A 45 16.839 0.028 -3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.529 0.832 -3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.086 0.669 -4.691 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.997 -0.552 -3.991 1.00 0.00 H new ATOM 695 N PRO A 46 16.844 -1.665 -1.226 1.00 0.00 N ATOM 696 CA PRO A 46 16.743 -2.454 -0.010 1.00 0.00 C ATOM 697 C PRO A 46 16.064 -1.657 1.106 1.00 0.00 C ATOM 698 O PRO A 46 16.194 -0.436 1.169 1.00 0.00 O ATOM 699 CB PRO A 46 18.173 -2.846 0.325 1.00 0.00 C ATOM 700 CG PRO A 46 19.060 -1.882 -0.445 1.00 0.00 C ATOM 701 CD PRO A 46 18.197 -1.176 -1.478 1.00 0.00 C ATOM 0 HA PRO A 46 16.120 -3.340 -0.134 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.357 -2.775 1.397 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.373 -3.878 0.035 1.00 0.00 H new ATOM 0 HG2 PRO A 46 19.514 -1.158 0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 46 19.875 -2.419 -0.931 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.254 -0.093 -1.368 1.00 0.00 H new ATOM 0 HD3 PRO A 46 18.521 -1.411 -2.492 1.00 0.00 H new ATOM 709 N GLY A 47 15.355 -2.382 1.960 1.00 0.00 N ATOM 710 CA GLY A 47 14.690 -1.763 3.094 1.00 0.00 C ATOM 711 C GLY A 47 13.421 -1.031 2.653 1.00 0.00 C ATOM 712 O GLY A 47 12.716 -0.452 3.477 1.00 0.00 O ATOM 0 H GLY A 47 15.227 -3.391 1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.437 -2.524 3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.369 -1.062 3.580 1.00 0.00 H new ATOM 716 N LYS A 48 13.168 -1.081 1.353 1.00 0.00 N ATOM 717 CA LYS A 48 12.239 -0.151 0.735 1.00 0.00 C ATOM 718 C LYS A 48 11.189 -0.935 -0.055 1.00 0.00 C ATOM 719 O LYS A 48 11.528 -1.685 -0.970 1.00 0.00 O ATOM 720 CB LYS A 48 12.994 0.883 -0.103 1.00 0.00 C ATOM 721 CG LYS A 48 12.811 2.290 0.468 1.00 0.00 C ATOM 722 CD LYS A 48 13.599 2.461 1.768 1.00 0.00 C ATOM 723 CE LYS A 48 13.485 3.893 2.294 1.00 0.00 C ATOM 724 NZ LYS A 48 14.135 4.012 3.619 1.00 0.00 N ATOM 0 H LYS A 48 13.591 -1.751 0.711 1.00 0.00 H new ATOM 0 HA LYS A 48 11.706 0.418 1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 48 14.054 0.632 -0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.635 0.855 -1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.142 3.028 -0.262 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.753 2.477 0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.226 1.764 2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.647 2.215 1.597 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.951 4.583 1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.435 4.176 2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.048 4.990 3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.673 3.367 4.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.141 3.762 3.536 1.00 0.00 H new ATOM 738 N SER A 49 9.937 -0.735 0.326 1.00 0.00 N ATOM 739 CA SER A 49 8.826 -1.285 -0.433 1.00 0.00 C ATOM 740 C SER A 49 8.202 -0.198 -1.310 1.00 0.00 C ATOM 741 O SER A 49 8.690 0.930 -1.348 1.00 0.00 O ATOM 742 CB SER A 49 7.770 -1.889 0.496 1.00 0.00 C ATOM 743 OG SER A 49 8.342 -2.390 1.701 1.00 0.00 O ATOM 0 H SER A 49 9.666 -0.199 1.151 1.00 0.00 H new ATOM 0 HA SER A 49 9.209 -2.082 -1.071 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.023 -1.132 0.737 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.251 -2.696 -0.021 1.00 0.00 H new ATOM 0 HG SER A 49 8.690 -3.293 1.547 1.00 0.00 H new ATOM 749 N ILE A 50 7.133 -0.576 -1.995 1.00 0.00 N ATOM 750 CA ILE A 50 6.267 0.402 -2.631 1.00 0.00 C ATOM 751 C ILE A 50 5.221 0.883 -1.623 1.00 0.00 C ATOM 752 O ILE A 50 4.833 0.140 -0.723 1.00 0.00 O ATOM 753 CB ILE A 50 5.666 -0.170 -3.916 1.00 0.00 C ATOM 754 CG1 ILE A 50 6.752 -0.777 -4.807 1.00 0.00 C ATOM 755 CG2 ILE A 50 4.842 0.887 -4.654 1.00 0.00 C ATOM 756 CD1 ILE A 50 7.850 0.246 -5.105 1.00 0.00 C ATOM 0 H ILE A 50 6.847 -1.547 -2.124 1.00 0.00 H new ATOM 0 HA ILE A 50 6.841 1.277 -2.937 1.00 0.00 H new ATOM 0 HB ILE A 50 4.985 -0.977 -3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.185 -1.649 -4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.310 -1.124 -5.741 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.426 0.454 -5.564 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.031 1.230 -4.012 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.481 1.731 -4.913 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.610 -0.210 -5.740 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.417 1.105 -5.617 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.306 0.573 -4.171 1.00 0.00 H new ATOM 768 N GLY A 51 4.794 2.124 -1.808 1.00 0.00 N ATOM 769 CA GLY A 51 3.592 2.607 -1.151 1.00 0.00 C ATOM 770 C GLY A 51 3.310 4.064 -1.526 1.00 0.00 C ATOM 771 O GLY A 51 4.205 4.775 -1.981 1.00 0.00 O ATOM 0 H GLY A 51 5.259 2.809 -2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.743 1.984 -1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.704 2.521 -0.070 1.00 0.00 H new ATOM 775 N GLY A 52 2.064 4.464 -1.321 1.00 0.00 N ATOM 776 CA GLY A 52 1.673 5.844 -1.553 1.00 0.00 C ATOM 777 C GLY A 52 1.339 6.078 -3.028 1.00 0.00 C ATOM 778 O GLY A 52 1.145 7.217 -3.450 1.00 0.00 O ATOM 0 H GLY A 52 1.312 3.856 -0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.808 6.089 -0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.480 6.511 -1.249 1.00 0.00 H new ATOM 782 N ASP A 53 1.283 4.983 -3.770 1.00 0.00 N ATOM 783 CA ASP A 53 0.952 5.052 -5.183 1.00 0.00 C ATOM 784 C ASP A 53 -0.542 4.780 -5.367 1.00 0.00 C ATOM 785 O ASP A 53 -1.155 4.090 -4.554 1.00 0.00 O ATOM 786 CB ASP A 53 1.726 4.002 -5.983 1.00 0.00 C ATOM 787 CG ASP A 53 3.248 4.091 -5.863 1.00 0.00 C ATOM 788 OD1 ASP A 53 3.754 3.734 -4.777 1.00 0.00 O ATOM 789 OD2 ASP A 53 3.872 4.513 -6.861 1.00 0.00 O ATOM 0 H ASP A 53 1.461 4.042 -3.419 1.00 0.00 H new ATOM 0 HA ASP A 53 1.217 6.046 -5.542 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.408 3.012 -5.657 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.453 4.094 -7.034 1.00 0.00 H new ATOM 794 N VAL A 54 -1.085 5.336 -6.440 1.00 0.00 N ATOM 795 CA VAL A 54 -2.524 5.322 -6.643 1.00 0.00 C ATOM 796 C VAL A 54 -2.942 3.960 -7.202 1.00 0.00 C ATOM 797 O VAL A 54 -2.274 3.413 -8.078 1.00 0.00 O ATOM 798 CB VAL A 54 -2.937 6.489 -7.541 1.00 0.00 C ATOM 799 CG1 VAL A 54 -4.457 6.542 -7.707 1.00 0.00 C ATOM 800 CG2 VAL A 54 -2.399 7.815 -6.999 1.00 0.00 C ATOM 0 H VAL A 54 -0.555 5.799 -7.178 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.045 5.459 -5.695 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.498 6.326 -8.525 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.724 7.381 -8.350 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.806 5.613 -8.158 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.925 6.670 -6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.707 8.628 -7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.796 7.987 -5.998 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.311 7.776 -6.956 1.00 0.00 H new ATOM 810 N PHE A 55 -4.046 3.452 -6.672 1.00 0.00 N ATOM 811 CA PHE A 55 -4.549 2.156 -7.093 1.00 0.00 C ATOM 812 C PHE A 55 -5.962 2.276 -7.667 1.00 0.00 C ATOM 813 O PHE A 55 -6.809 2.966 -7.102 1.00 0.00 O ATOM 814 CB PHE A 55 -4.592 1.267 -5.847 1.00 0.00 C ATOM 815 CG PHE A 55 -5.837 0.384 -5.756 1.00 0.00 C ATOM 816 CD1 PHE A 55 -5.841 -0.848 -6.333 1.00 0.00 C ATOM 817 CD2 PHE A 55 -6.940 0.830 -5.097 1.00 0.00 C ATOM 818 CE1 PHE A 55 -6.997 -1.668 -6.248 1.00 0.00 C ATOM 819 CE2 PHE A 55 -8.096 0.010 -5.012 1.00 0.00 C ATOM 820 CZ PHE A 55 -8.101 -1.222 -5.589 1.00 0.00 C ATOM 0 H PHE A 55 -4.605 3.915 -5.955 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.905 1.741 -7.868 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.707 0.631 -5.836 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.542 1.899 -4.960 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.965 -1.202 -6.856 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.937 1.808 -4.638 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.000 -2.646 -6.706 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.972 0.365 -4.489 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.980 -1.846 -5.524 1.00 0.00 H new ATOM 830 N SER A 56 -6.173 1.594 -8.783 1.00 0.00 N ATOM 831 CA SER A 56 -7.386 1.785 -9.560 1.00 0.00 C ATOM 832 C SER A 56 -8.541 1.008 -8.926 1.00 0.00 C ATOM 833 O SER A 56 -8.344 -0.087 -8.403 1.00 0.00 O ATOM 834 CB SER A 56 -7.185 1.348 -11.012 1.00 0.00 C ATOM 835 OG SER A 56 -7.121 -0.070 -11.138 1.00 0.00 O ATOM 0 H SER A 56 -5.524 0.908 -9.168 1.00 0.00 H new ATOM 0 HA SER A 56 -7.628 2.848 -9.560 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.004 1.730 -11.622 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.266 1.788 -11.399 1.00 0.00 H new ATOM 0 HG SER A 56 -6.994 -0.309 -12.080 1.00 0.00 H new ATOM 841 N ASN A 57 -9.722 1.605 -8.994 1.00 0.00 N ATOM 842 CA ASN A 57 -10.927 0.934 -8.539 1.00 0.00 C ATOM 843 C ASN A 57 -12.145 1.573 -9.210 1.00 0.00 C ATOM 844 O ASN A 57 -12.808 0.942 -10.033 1.00 0.00 O ATOM 845 CB ASN A 57 -11.096 1.070 -7.025 1.00 0.00 C ATOM 846 CG ASN A 57 -12.515 0.695 -6.595 1.00 0.00 C ATOM 847 OD1 ASN A 57 -12.916 -0.457 -6.621 1.00 0.00 O ATOM 848 ND2 ASN A 57 -13.251 1.730 -6.198 1.00 0.00 N ATOM 0 H ASN A 57 -9.870 2.546 -9.358 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.843 -0.121 -8.799 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.377 0.428 -6.516 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.879 2.094 -6.722 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.213 1.584 -5.891 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.854 2.669 -6.201 1.00 0.00 H new ATOM 855 N ARG A 58 -12.404 2.816 -8.833 1.00 0.00 N ATOM 856 CA ARG A 58 -13.506 3.562 -9.418 1.00 0.00 C ATOM 857 C ARG A 58 -14.718 2.650 -9.616 1.00 0.00 C ATOM 858 O ARG A 58 -15.011 2.236 -10.737 1.00 0.00 O ATOM 859 CB ARG A 58 -13.106 4.168 -10.765 1.00 0.00 C ATOM 860 CG ARG A 58 -12.150 5.347 -10.574 1.00 0.00 C ATOM 861 CD ARG A 58 -12.923 6.651 -10.363 1.00 0.00 C ATOM 862 NE ARG A 58 -12.008 7.708 -9.876 1.00 0.00 N ATOM 863 CZ ARG A 58 -11.776 7.961 -8.581 1.00 0.00 C ATOM 864 NH1 ARG A 58 -12.203 7.104 -7.643 1.00 0.00 N ATOM 865 NH2 ARG A 58 -11.116 9.071 -8.223 1.00 0.00 N ATOM 0 H ARG A 58 -11.870 3.326 -8.129 1.00 0.00 H new ATOM 0 HA ARG A 58 -13.763 4.369 -8.731 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -12.631 3.407 -11.384 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -13.997 4.500 -11.297 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.504 5.160 -9.716 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.503 5.440 -11.446 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.388 6.963 -11.298 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.727 6.495 -9.644 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.524 8.279 -10.569 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.705 6.259 -7.915 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.026 7.297 -6.657 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.790 9.723 -8.936 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.939 9.264 -7.237 1.00 0.00 H new ATOM 879 N GLU A 59 -15.390 2.363 -8.511 1.00 0.00 N ATOM 880 CA GLU A 59 -16.498 1.423 -8.531 1.00 0.00 C ATOM 881 C GLU A 59 -16.053 0.090 -9.136 1.00 0.00 C ATOM 882 O GLU A 59 -16.311 -0.181 -10.308 1.00 0.00 O ATOM 883 CB GLU A 59 -17.692 2.000 -9.294 1.00 0.00 C ATOM 884 CG GLU A 59 -18.339 3.147 -8.515 1.00 0.00 C ATOM 885 CD GLU A 59 -19.146 2.616 -7.328 1.00 0.00 C ATOM 886 OE1 GLU A 59 -20.235 2.059 -7.586 1.00 0.00 O ATOM 887 OE2 GLU A 59 -18.656 2.780 -6.190 1.00 0.00 O ATOM 0 H GLU A 59 -15.188 2.765 -7.595 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.816 1.245 -7.504 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.365 2.358 -10.270 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -18.428 1.216 -9.472 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -17.568 3.830 -8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -18.991 3.718 -9.176 1.00 0.00 H new ATOM 894 N GLY A 60 -15.392 -0.707 -8.309 1.00 0.00 N ATOM 895 CA GLY A 60 -14.990 -2.042 -8.718 1.00 0.00 C ATOM 896 C GLY A 60 -15.188 -3.046 -7.581 1.00 0.00 C ATOM 897 O GLY A 60 -16.285 -3.570 -7.395 1.00 0.00 O ATOM 0 H GLY A 60 -15.125 -0.454 -7.358 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.572 -2.351 -9.586 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.943 -2.033 -9.022 1.00 0.00 H new ATOM 901 N ARG A 61 -14.108 -3.284 -6.851 1.00 0.00 N ATOM 902 CA ARG A 61 -14.178 -4.116 -5.661 1.00 0.00 C ATOM 903 C ARG A 61 -14.504 -3.261 -4.435 1.00 0.00 C ATOM 904 O ARG A 61 -15.232 -3.698 -3.545 1.00 0.00 O ATOM 905 CB ARG A 61 -12.858 -4.852 -5.425 1.00 0.00 C ATOM 906 CG ARG A 61 -12.470 -5.687 -6.647 1.00 0.00 C ATOM 907 CD ARG A 61 -13.441 -6.853 -6.845 1.00 0.00 C ATOM 908 NE ARG A 61 -12.807 -7.905 -7.671 1.00 0.00 N ATOM 909 CZ ARG A 61 -12.491 -7.756 -8.964 1.00 0.00 C ATOM 910 NH1 ARG A 61 -12.932 -6.688 -9.643 1.00 0.00 N ATOM 911 NH2 ARG A 61 -11.734 -8.675 -9.579 1.00 0.00 N ATOM 0 H ARG A 61 -13.180 -2.916 -7.060 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.968 -4.851 -5.816 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.070 -4.131 -5.207 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.949 -5.499 -4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.467 -5.057 -7.536 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.457 -6.070 -6.524 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.731 -7.264 -5.878 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.352 -6.500 -7.328 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.598 -8.799 -7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.508 -5.989 -9.175 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.691 -6.575 -10.628 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.398 -9.488 -9.062 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.493 -8.562 -10.564 1.00 0.00 H new ATOM 925 N LEU A 62 -13.948 -2.058 -4.426 1.00 0.00 N ATOM 926 CA LEU A 62 -14.258 -1.098 -3.381 1.00 0.00 C ATOM 927 C LEU A 62 -15.179 -0.015 -3.947 1.00 0.00 C ATOM 928 O LEU A 62 -15.218 0.202 -5.157 1.00 0.00 O ATOM 929 CB LEU A 62 -12.972 -0.548 -2.760 1.00 0.00 C ATOM 930 CG LEU A 62 -11.989 -1.590 -2.223 1.00 0.00 C ATOM 931 CD1 LEU A 62 -10.545 -1.099 -2.353 1.00 0.00 C ATOM 932 CD2 LEU A 62 -12.334 -1.981 -0.785 1.00 0.00 C ATOM 0 H LEU A 62 -13.285 -1.727 -5.126 1.00 0.00 H new ATOM 0 HA LEU A 62 -14.797 -1.582 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -12.459 0.055 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.243 0.121 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.080 -2.490 -2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.866 -1.858 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.317 -0.912 -3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.422 -0.177 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.619 -2.723 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.289 -1.098 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.339 -2.401 -0.753 1.00 0.00 H new ATOM 944 N PRO A 63 -15.917 0.654 -3.020 1.00 0.00 N ATOM 945 CA PRO A 63 -16.860 1.686 -3.417 1.00 0.00 C ATOM 946 C PRO A 63 -16.131 2.971 -3.814 1.00 0.00 C ATOM 947 O PRO A 63 -14.934 3.112 -3.567 1.00 0.00 O ATOM 948 CB PRO A 63 -17.773 1.868 -2.215 1.00 0.00 C ATOM 949 CG PRO A 63 -17.028 1.272 -1.032 1.00 0.00 C ATOM 950 CD PRO A 63 -15.873 0.445 -1.576 1.00 0.00 C ATOM 0 HA PRO A 63 -17.437 1.412 -4.300 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.992 2.922 -2.047 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.727 1.364 -2.370 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.657 2.061 -0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.695 0.650 -0.435 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.921 0.771 -1.157 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.988 -0.609 -1.325 1.00 0.00 H new ATOM 958 N SER A 64 -16.883 3.876 -4.423 1.00 0.00 N ATOM 959 CA SER A 64 -16.395 5.226 -4.648 1.00 0.00 C ATOM 960 C SER A 64 -17.569 6.206 -4.695 1.00 0.00 C ATOM 961 O SER A 64 -18.253 6.312 -5.712 1.00 0.00 O ATOM 962 CB SER A 64 -15.582 5.310 -5.941 1.00 0.00 C ATOM 963 OG SER A 64 -15.048 6.614 -6.152 1.00 0.00 O ATOM 0 H SER A 64 -17.827 3.701 -4.768 1.00 0.00 H new ATOM 0 HA SER A 64 -15.739 5.494 -3.820 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.768 4.586 -5.905 1.00 0.00 H new ATOM 0 HB3 SER A 64 -16.215 5.036 -6.785 1.00 0.00 H new ATOM 0 HG SER A 64 -14.222 6.717 -5.635 1.00 0.00 H new ATOM 969 N ALA A 65 -17.767 6.897 -3.582 1.00 0.00 N ATOM 970 CA ALA A 65 -19.002 7.631 -3.366 1.00 0.00 C ATOM 971 C ALA A 65 -19.022 8.865 -4.271 1.00 0.00 C ATOM 972 O ALA A 65 -19.890 8.993 -5.133 1.00 0.00 O ATOM 973 CB ALA A 65 -19.130 7.992 -1.885 1.00 0.00 C ATOM 0 H ALA A 65 -17.092 6.964 -2.820 1.00 0.00 H new ATOM 0 HA ALA A 65 -19.864 7.017 -3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -20.057 8.543 -1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.141 7.080 -1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.284 8.611 -1.587 1.00 0.00 H new ATOM 979 N SER A 66 -18.054 9.741 -4.044 1.00 0.00 N ATOM 980 CA SER A 66 -18.029 11.022 -4.729 1.00 0.00 C ATOM 981 C SER A 66 -16.648 11.665 -4.585 1.00 0.00 C ATOM 982 O SER A 66 -16.388 12.374 -3.614 1.00 0.00 O ATOM 983 CB SER A 66 -19.110 11.958 -4.185 1.00 0.00 C ATOM 984 OG SER A 66 -19.055 13.247 -4.792 1.00 0.00 O ATOM 0 H SER A 66 -17.282 9.589 -3.395 1.00 0.00 H new ATOM 0 HA SER A 66 -18.234 10.850 -5.786 1.00 0.00 H new ATOM 0 HB2 SER A 66 -20.092 11.517 -4.358 1.00 0.00 H new ATOM 0 HB3 SER A 66 -18.992 12.060 -3.106 1.00 0.00 H new ATOM 0 HG SER A 66 -19.762 13.815 -4.419 1.00 0.00 H new ATOM 990 N GLY A 67 -15.800 11.395 -5.566 1.00 0.00 N ATOM 991 CA GLY A 67 -14.446 11.922 -5.551 1.00 0.00 C ATOM 992 C GLY A 67 -13.544 11.089 -4.637 1.00 0.00 C ATOM 993 O GLY A 67 -12.422 11.490 -4.333 1.00 0.00 O ATOM 0 H GLY A 67 -16.024 10.818 -6.377 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.042 11.924 -6.563 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -14.459 12.957 -5.210 1.00 0.00 H new ATOM 997 N ARG A 68 -14.069 9.944 -4.225 1.00 0.00 N ATOM 998 CA ARG A 68 -13.342 9.071 -3.319 1.00 0.00 C ATOM 999 C ARG A 68 -12.289 8.269 -4.086 1.00 0.00 C ATOM 1000 O ARG A 68 -12.624 7.353 -4.835 1.00 0.00 O ATOM 1001 CB ARG A 68 -14.290 8.104 -2.607 1.00 0.00 C ATOM 1002 CG ARG A 68 -13.546 7.283 -1.553 1.00 0.00 C ATOM 1003 CD ARG A 68 -14.464 6.230 -0.928 1.00 0.00 C ATOM 1004 NE ARG A 68 -15.482 6.887 -0.079 1.00 0.00 N ATOM 1005 CZ ARG A 68 -16.474 6.236 0.544 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -16.624 4.916 0.367 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -17.316 6.904 1.344 1.00 0.00 N ATOM 0 H ARG A 68 -14.989 9.601 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.854 9.699 -2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.098 8.663 -2.134 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.749 7.436 -3.336 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.685 6.795 -2.009 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -13.163 7.944 -0.776 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -14.951 5.649 -1.711 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -13.877 5.531 -0.332 1.00 0.00 H new ATOM 0 HE ARG A 68 -15.425 7.898 0.040 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.983 4.407 -0.242 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.379 4.420 0.841 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -17.202 7.909 1.479 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.071 6.408 1.818 1.00 0.00 H new ATOM 1021 N THR A 69 -11.036 8.643 -3.873 1.00 0.00 N ATOM 1022 CA THR A 69 -9.931 7.974 -4.539 1.00 0.00 C ATOM 1023 C THR A 69 -9.178 7.078 -3.554 1.00 0.00 C ATOM 1024 O THR A 69 -9.269 7.269 -2.342 1.00 0.00 O ATOM 1025 CB THR A 69 -9.049 9.045 -5.183 1.00 0.00 C ATOM 1026 OG1 THR A 69 -9.967 9.867 -5.900 1.00 0.00 O ATOM 1027 CG2 THR A 69 -8.134 8.475 -6.269 1.00 0.00 C ATOM 0 H THR A 69 -10.761 9.401 -3.248 1.00 0.00 H new ATOM 0 HA THR A 69 -10.288 7.310 -5.326 1.00 0.00 H new ATOM 0 HB THR A 69 -8.445 9.527 -4.414 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.511 10.277 -6.665 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.530 9.277 -6.693 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.480 7.719 -5.834 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.739 8.022 -7.054 1.00 0.00 H new ATOM 1035 N TRP A 70 -8.452 6.120 -4.111 1.00 0.00 N ATOM 1036 CA TRP A 70 -7.870 5.059 -3.306 1.00 0.00 C ATOM 1037 C TRP A 70 -6.372 5.003 -3.611 1.00 0.00 C ATOM 1038 O TRP A 70 -5.966 5.092 -4.769 1.00 0.00 O ATOM 1039 CB TRP A 70 -8.581 3.728 -3.557 1.00 0.00 C ATOM 1040 CG TRP A 70 -10.070 3.742 -3.205 1.00 0.00 C ATOM 1041 CD1 TRP A 70 -11.070 4.337 -3.870 1.00 0.00 C ATOM 1042 CD2 TRP A 70 -10.691 3.105 -2.068 1.00 0.00 C ATOM 1043 NE1 TRP A 70 -12.284 4.131 -3.248 1.00 0.00 N ATOM 1044 CE2 TRP A 70 -12.046 3.358 -2.118 1.00 0.00 C ATOM 1045 CE3 TRP A 70 -10.125 2.341 -1.033 1.00 0.00 C ATOM 1046 CZ2 TRP A 70 -12.950 2.883 -1.159 1.00 0.00 C ATOM 1047 CZ3 TRP A 70 -11.042 1.874 -0.083 1.00 0.00 C ATOM 1048 CH2 TRP A 70 -12.409 2.119 -0.118 1.00 0.00 C ATOM 0 H TRP A 70 -8.253 6.056 -5.109 1.00 0.00 H new ATOM 0 HA TRP A 70 -8.002 5.264 -2.244 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.469 3.460 -4.608 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -8.088 2.949 -2.975 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -10.942 4.906 -4.779 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.190 4.482 -3.560 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.067 2.131 -0.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -14.007 3.095 -1.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.659 1.281 0.735 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -13.051 1.722 0.654 1.00 0.00 H new ATOM 1059 N ARG A 71 -5.590 4.855 -2.551 1.00 0.00 N ATOM 1060 CA ARG A 71 -4.169 4.593 -2.700 1.00 0.00 C ATOM 1061 C ARG A 71 -3.795 3.282 -2.005 1.00 0.00 C ATOM 1062 O ARG A 71 -4.393 2.920 -0.993 1.00 0.00 O ATOM 1063 CB ARG A 71 -3.334 5.731 -2.110 1.00 0.00 C ATOM 1064 CG ARG A 71 -3.558 7.033 -2.882 1.00 0.00 C ATOM 1065 CD ARG A 71 -2.257 7.829 -3.005 1.00 0.00 C ATOM 1066 NE ARG A 71 -2.525 9.144 -3.628 1.00 0.00 N ATOM 1067 CZ ARG A 71 -1.570 10.002 -4.014 1.00 0.00 C ATOM 1068 NH1 ARG A 71 -0.279 9.694 -3.829 1.00 0.00 N ATOM 1069 NH2 ARG A 71 -1.906 11.167 -4.584 1.00 0.00 N ATOM 0 H ARG A 71 -5.914 4.912 -1.586 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.956 4.517 -3.766 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.598 5.875 -1.062 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.278 5.464 -2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.946 6.809 -3.875 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.311 7.636 -2.374 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.812 7.968 -2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.536 7.273 -3.605 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.498 9.415 -3.773 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.023 8.807 -3.395 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.448 10.346 -4.123 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.889 11.401 -4.724 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.179 11.820 -4.878 1.00 0.00 H new ATOM 1083 N GLU A 72 -2.808 2.607 -2.576 1.00 0.00 N ATOM 1084 CA GLU A 72 -2.363 1.333 -2.037 1.00 0.00 C ATOM 1085 C GLU A 72 -1.011 1.495 -1.339 1.00 0.00 C ATOM 1086 O GLU A 72 -0.309 2.480 -1.560 1.00 0.00 O ATOM 1087 CB GLU A 72 -2.290 0.270 -3.135 1.00 0.00 C ATOM 1088 CG GLU A 72 -1.272 0.660 -4.209 1.00 0.00 C ATOM 1089 CD GLU A 72 -0.876 -0.552 -5.055 1.00 0.00 C ATOM 1090 OE1 GLU A 72 -1.769 -1.392 -5.297 1.00 0.00 O ATOM 1091 OE2 GLU A 72 0.312 -0.611 -5.440 1.00 0.00 O ATOM 0 H GLU A 72 -2.304 2.918 -3.406 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.092 0.997 -1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.014 -0.690 -2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.273 0.143 -3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.693 1.434 -4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.385 1.084 -3.738 1.00 0.00 H new ATOM 1098 N ALA A 73 -0.688 0.513 -0.511 1.00 0.00 N ATOM 1099 CA ALA A 73 0.613 0.477 0.136 1.00 0.00 C ATOM 1100 C ALA A 73 0.933 -0.961 0.548 1.00 0.00 C ATOM 1101 O ALA A 73 0.033 -1.730 0.882 1.00 0.00 O ATOM 1102 CB ALA A 73 0.619 1.440 1.325 1.00 0.00 C ATOM 0 H ALA A 73 -1.304 -0.264 -0.273 1.00 0.00 H new ATOM 0 HA ALA A 73 1.393 0.804 -0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.595 1.413 1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.416 2.452 0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.149 1.142 2.038 1.00 0.00 H new ATOM 1108 N ASP A 74 2.218 -1.281 0.510 1.00 0.00 N ATOM 1109 CA ASP A 74 2.648 -2.664 0.624 1.00 0.00 C ATOM 1110 C ASP A 74 2.588 -3.093 2.091 1.00 0.00 C ATOM 1111 O ASP A 74 2.893 -2.305 2.985 1.00 0.00 O ATOM 1112 CB ASP A 74 4.090 -2.834 0.141 1.00 0.00 C ATOM 1113 CG ASP A 74 4.302 -2.602 -1.356 1.00 0.00 C ATOM 1114 OD1 ASP A 74 3.337 -2.135 -2.000 1.00 0.00 O ATOM 1115 OD2 ASP A 74 5.423 -2.896 -1.824 1.00 0.00 O ATOM 0 H ASP A 74 2.975 -0.606 0.402 1.00 0.00 H new ATOM 0 HA ASP A 74 1.987 -3.274 0.009 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.726 -2.143 0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.424 -3.842 0.388 1.00 0.00 H new ATOM 1120 N ILE A 75 2.193 -4.342 2.294 1.00 0.00 N ATOM 1121 CA ILE A 75 2.225 -4.931 3.622 1.00 0.00 C ATOM 1122 C ILE A 75 3.108 -6.180 3.599 1.00 0.00 C ATOM 1123 O ILE A 75 3.090 -6.940 2.632 1.00 0.00 O ATOM 1124 CB ILE A 75 0.805 -5.191 4.128 1.00 0.00 C ATOM 1125 CG1 ILE A 75 -0.034 -3.912 4.087 1.00 0.00 C ATOM 1126 CG2 ILE A 75 0.826 -5.818 5.523 1.00 0.00 C ATOM 1127 CD1 ILE A 75 0.422 -2.922 5.160 1.00 0.00 C ATOM 0 H ILE A 75 1.849 -4.962 1.561 1.00 0.00 H new ATOM 0 HA ILE A 75 2.670 -4.238 4.336 1.00 0.00 H new ATOM 0 HB ILE A 75 0.330 -5.909 3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.048 -3.450 3.103 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.085 -4.158 4.237 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.196 -5.992 5.859 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.363 -6.766 5.488 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.326 -5.143 6.218 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.191 -2.022 5.109 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.316 -3.378 6.144 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.467 -2.660 4.993 1.00 0.00 H new ATOM 1139 N ASN A 76 3.860 -6.354 4.676 1.00 0.00 N ATOM 1140 CA ASN A 76 4.689 -7.538 4.827 1.00 0.00 C ATOM 1141 C ASN A 76 5.715 -7.584 3.692 1.00 0.00 C ATOM 1142 O ASN A 76 5.364 -7.851 2.544 1.00 0.00 O ATOM 1143 CB ASN A 76 3.847 -8.813 4.755 1.00 0.00 C ATOM 1144 CG ASN A 76 3.422 -9.269 6.153 1.00 0.00 C ATOM 1145 OD1 ASN A 76 2.864 -8.311 6.887 1.00 0.00 O flip ATOM 1146 ND2 ASN A 76 3.590 -10.414 6.538 1.00 0.00 N flip ATOM 0 H ASN A 76 3.913 -5.695 5.453 1.00 0.00 H new ATOM 0 HA ASN A 76 5.180 -7.485 5.799 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.963 -8.635 4.142 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.418 -9.604 4.269 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.025 -11.100 5.922 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.295 -10.685 7.476 1.00 0.00 H new ATOM 1153 N TYR A 77 6.962 -7.319 4.053 1.00 0.00 N ATOM 1154 CA TYR A 77 8.010 -7.156 3.060 1.00 0.00 C ATOM 1155 C TYR A 77 9.393 -7.193 3.712 1.00 0.00 C ATOM 1156 O TYR A 77 9.818 -6.219 4.332 1.00 0.00 O ATOM 1157 CB TYR A 77 7.789 -5.776 2.437 1.00 0.00 C ATOM 1158 CG TYR A 77 8.825 -5.400 1.376 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.662 -5.821 0.072 1.00 0.00 C ATOM 1160 CD2 TYR A 77 9.923 -4.639 1.723 1.00 0.00 C ATOM 1161 CE1 TYR A 77 9.636 -5.467 -0.926 1.00 0.00 C ATOM 1162 CE2 TYR A 77 10.898 -4.285 0.724 1.00 0.00 C ATOM 1163 CZ TYR A 77 10.707 -4.716 -0.551 1.00 0.00 C ATOM 1164 OH TYR A 77 11.628 -4.382 -1.494 1.00 0.00 O ATOM 0 H TYR A 77 7.270 -7.213 5.020 1.00 0.00 H new ATOM 0 HA TYR A 77 7.970 -7.958 2.323 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.796 -5.746 1.988 1.00 0.00 H new ATOM 0 HB3 TYR A 77 7.804 -5.025 3.227 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.803 -6.416 -0.200 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.051 -4.309 2.743 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.520 -5.790 -1.950 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.762 -3.690 0.982 1.00 0.00 H new ATOM 0 HH TYR A 77 11.774 -3.413 -1.480 1.00 0.00 H new ATOM 1174 N VAL A 78 10.059 -8.327 3.550 1.00 0.00 N ATOM 1175 CA VAL A 78 11.453 -8.440 3.945 1.00 0.00 C ATOM 1176 C VAL A 78 12.331 -8.480 2.693 1.00 0.00 C ATOM 1177 O VAL A 78 13.299 -7.728 2.585 1.00 0.00 O ATOM 1178 CB VAL A 78 11.644 -9.660 4.848 1.00 0.00 C ATOM 1179 CG1 VAL A 78 13.110 -9.817 5.255 1.00 0.00 C ATOM 1180 CG2 VAL A 78 10.739 -9.579 6.079 1.00 0.00 C ATOM 0 H VAL A 78 9.659 -9.176 3.150 1.00 0.00 H new ATOM 0 HA VAL A 78 11.757 -7.570 4.528 1.00 0.00 H new ATOM 0 HB VAL A 78 11.358 -10.545 4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 78 13.218 -10.692 5.897 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.724 -9.943 4.363 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.435 -8.928 5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.895 -10.459 6.704 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.980 -8.682 6.649 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.697 -9.539 5.762 1.00 0.00 H new ATOM 1190 N SER A 79 11.962 -9.364 1.778 1.00 0.00 N ATOM 1191 CA SER A 79 12.638 -9.439 0.494 1.00 0.00 C ATOM 1192 C SER A 79 11.755 -10.168 -0.521 1.00 0.00 C ATOM 1193 O SER A 79 10.919 -10.988 -0.146 1.00 0.00 O ATOM 1194 CB SER A 79 13.990 -10.144 0.624 1.00 0.00 C ATOM 1195 OG SER A 79 13.855 -11.468 1.133 1.00 0.00 O ATOM 0 H SER A 79 11.203 -10.035 1.900 1.00 0.00 H new ATOM 0 HA SER A 79 12.820 -8.423 0.144 1.00 0.00 H new ATOM 0 HB2 SER A 79 14.476 -10.178 -0.351 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.638 -9.567 1.283 1.00 0.00 H new ATOM 0 HG SER A 79 14.740 -11.885 1.199 1.00 0.00 H new ATOM 1201 N GLY A 80 11.971 -9.842 -1.787 1.00 0.00 N ATOM 1202 CA GLY A 80 11.307 -10.552 -2.867 1.00 0.00 C ATOM 1203 C GLY A 80 10.777 -9.578 -3.920 1.00 0.00 C ATOM 1204 O GLY A 80 11.053 -8.381 -3.858 1.00 0.00 O ATOM 0 H GLY A 80 12.597 -9.095 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.004 -11.250 -3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.483 -11.143 -2.466 1.00 0.00 H new ATOM 1208 N PHE A 81 10.025 -10.126 -4.863 1.00 0.00 N ATOM 1209 CA PHE A 81 9.467 -9.323 -5.937 1.00 0.00 C ATOM 1210 C PHE A 81 8.220 -8.571 -5.467 1.00 0.00 C ATOM 1211 O PHE A 81 7.833 -8.669 -4.304 1.00 0.00 O ATOM 1212 CB PHE A 81 9.075 -10.286 -7.059 1.00 0.00 C ATOM 1213 CG PHE A 81 10.262 -10.993 -7.716 1.00 0.00 C ATOM 1214 CD1 PHE A 81 10.954 -10.378 -8.712 1.00 0.00 C ATOM 1215 CD2 PHE A 81 10.626 -12.237 -7.303 1.00 0.00 C ATOM 1216 CE1 PHE A 81 12.056 -11.034 -9.321 1.00 0.00 C ATOM 1217 CE2 PHE A 81 11.728 -12.893 -7.912 1.00 0.00 C ATOM 1218 CZ PHE A 81 12.420 -12.278 -8.908 1.00 0.00 C ATOM 0 H PHE A 81 9.789 -11.117 -4.905 1.00 0.00 H new ATOM 0 HA PHE A 81 10.199 -8.587 -6.270 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.395 -11.037 -6.658 1.00 0.00 H new ATOM 0 HB3 PHE A 81 8.526 -9.734 -7.822 1.00 0.00 H new ATOM 0 HD1 PHE A 81 10.665 -9.390 -9.040 1.00 0.00 H new ATOM 0 HD2 PHE A 81 10.077 -12.726 -6.512 1.00 0.00 H new ATOM 0 HE1 PHE A 81 12.605 -10.545 -10.112 1.00 0.00 H new ATOM 0 HE2 PHE A 81 12.017 -13.881 -7.584 1.00 0.00 H new ATOM 0 HZ PHE A 81 13.258 -12.777 -9.371 1.00 0.00 H new ATOM 1228 N ARG A 82 7.625 -7.837 -6.396 1.00 0.00 N ATOM 1229 CA ARG A 82 6.432 -7.065 -6.091 1.00 0.00 C ATOM 1230 C ARG A 82 5.375 -7.958 -5.438 1.00 0.00 C ATOM 1231 O ARG A 82 5.074 -9.039 -5.942 1.00 0.00 O ATOM 1232 CB ARG A 82 5.846 -6.434 -7.355 1.00 0.00 C ATOM 1233 CG ARG A 82 6.710 -5.266 -7.835 1.00 0.00 C ATOM 1234 CD ARG A 82 6.089 -3.925 -7.438 1.00 0.00 C ATOM 1235 NE ARG A 82 5.707 -3.948 -6.009 1.00 0.00 N ATOM 1236 CZ ARG A 82 4.457 -3.759 -5.562 1.00 0.00 C ATOM 1237 NH1 ARG A 82 3.422 -3.853 -6.408 1.00 0.00 N ATOM 1238 NH2 ARG A 82 4.243 -3.475 -4.270 1.00 0.00 N ATOM 0 H ARG A 82 7.947 -7.761 -7.361 1.00 0.00 H new ATOM 0 HA ARG A 82 6.718 -6.271 -5.402 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.774 -7.185 -8.141 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.833 -6.084 -7.155 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.709 -5.349 -7.408 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.822 -5.313 -8.918 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.799 -3.118 -7.620 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.213 -3.724 -8.054 1.00 0.00 H new ATOM 0 HE ARG A 82 6.440 -4.118 -5.321 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.585 -4.068 -7.392 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.471 -3.709 -6.068 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.031 -3.403 -3.626 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.292 -3.331 -3.930 1.00 0.00 H new ATOM 1252 N ASN A 83 4.842 -7.474 -4.326 1.00 0.00 N ATOM 1253 CA ASN A 83 4.061 -8.320 -3.440 1.00 0.00 C ATOM 1254 C ASN A 83 2.571 -8.095 -3.709 1.00 0.00 C ATOM 1255 O ASN A 83 2.174 -7.024 -4.164 1.00 0.00 O ATOM 1256 CB ASN A 83 4.333 -7.981 -1.973 1.00 0.00 C ATOM 1257 CG ASN A 83 4.246 -6.473 -1.734 1.00 0.00 C ATOM 1258 OD1 ASN A 83 3.195 -5.924 -1.445 1.00 0.00 O ATOM 1259 ND2 ASN A 83 5.405 -5.835 -1.870 1.00 0.00 N ATOM 0 H ASN A 83 4.936 -6.506 -4.018 1.00 0.00 H new ATOM 0 HA ASN A 83 4.342 -9.356 -3.629 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.612 -8.496 -1.337 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.322 -8.341 -1.690 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.451 -4.826 -1.731 1.00 0.00 H new ATOM 0 HD22 ASN A 83 6.248 -6.355 -2.113 1.00 0.00 H new ATOM 1266 N ALA A 84 1.788 -9.123 -3.416 1.00 0.00 N ATOM 1267 CA ALA A 84 0.356 -9.065 -3.656 1.00 0.00 C ATOM 1268 C ALA A 84 -0.344 -8.519 -2.411 1.00 0.00 C ATOM 1269 O ALA A 84 -1.420 -7.930 -2.507 1.00 0.00 O ATOM 1270 CB ALA A 84 -0.152 -10.454 -4.050 1.00 0.00 C ATOM 0 H ALA A 84 2.118 -10.001 -3.015 1.00 0.00 H new ATOM 0 HA ALA A 84 0.132 -8.390 -4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.226 -10.411 -4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.355 -10.783 -4.957 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.053 -11.158 -3.244 1.00 0.00 H new ATOM 1276 N ASP A 85 0.294 -8.734 -1.270 1.00 0.00 N ATOM 1277 CA ASP A 85 -0.322 -8.407 0.005 1.00 0.00 C ATOM 1278 C ASP A 85 -0.210 -6.900 0.249 1.00 0.00 C ATOM 1279 O ASP A 85 0.887 -6.379 0.444 1.00 0.00 O ATOM 1280 CB ASP A 85 0.383 -9.125 1.157 1.00 0.00 C ATOM 1281 CG ASP A 85 0.343 -10.653 1.087 1.00 0.00 C ATOM 1282 OD1 ASP A 85 0.918 -11.192 0.116 1.00 0.00 O ATOM 1283 OD2 ASP A 85 -0.260 -11.248 2.006 1.00 0.00 O ATOM 0 H ASP A 85 1.231 -9.131 -1.202 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.365 -8.723 -0.033 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.425 -8.804 1.182 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.071 -8.807 2.096 1.00 0.00 H new ATOM 1288 N ARG A 86 -1.360 -6.243 0.229 1.00 0.00 N ATOM 1289 CA ARG A 86 -1.393 -4.791 0.238 1.00 0.00 C ATOM 1290 C ARG A 86 -2.548 -4.291 1.108 1.00 0.00 C ATOM 1291 O ARG A 86 -3.501 -5.025 1.361 1.00 0.00 O ATOM 1292 CB ARG A 86 -1.552 -4.234 -1.178 1.00 0.00 C ATOM 1293 CG ARG A 86 -0.360 -4.620 -2.056 1.00 0.00 C ATOM 1294 CD ARG A 86 -0.524 -4.071 -3.475 1.00 0.00 C ATOM 1295 NE ARG A 86 0.321 -4.840 -4.416 1.00 0.00 N ATOM 1296 CZ ARG A 86 0.199 -4.788 -5.749 1.00 0.00 C ATOM 1297 NH1 ARG A 86 -0.574 -3.851 -6.316 1.00 0.00 N ATOM 1298 NH2 ARG A 86 0.851 -5.672 -6.517 1.00 0.00 N ATOM 0 H ARG A 86 -2.277 -6.690 0.207 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.446 -4.441 0.649 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.473 -4.614 -1.621 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.642 -3.148 -1.138 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.560 -4.234 -1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.266 -5.705 -2.091 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.569 -4.132 -3.779 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.245 -3.018 -3.501 1.00 0.00 H new ATOM 0 HE ARG A 86 1.041 -5.447 -4.025 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.070 -3.177 -5.732 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.666 -3.812 -7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.440 -6.385 -6.087 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.758 -5.632 -7.532 1.00 0.00 H new ATOM 1312 N LEU A 87 -2.424 -3.045 1.542 1.00 0.00 N ATOM 1313 CA LEU A 87 -3.507 -2.389 2.254 1.00 0.00 C ATOM 1314 C LEU A 87 -3.879 -1.095 1.528 1.00 0.00 C ATOM 1315 O LEU A 87 -3.005 -0.312 1.160 1.00 0.00 O ATOM 1316 CB LEU A 87 -3.136 -2.185 3.724 1.00 0.00 C ATOM 1317 CG LEU A 87 -4.106 -1.338 4.550 1.00 0.00 C ATOM 1318 CD1 LEU A 87 -4.362 -1.974 5.918 1.00 0.00 C ATOM 1319 CD2 LEU A 87 -3.608 0.104 4.672 1.00 0.00 C ATOM 0 H LEU A 87 -1.590 -2.473 1.414 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.396 -3.019 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.048 -3.164 4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.151 -1.720 3.768 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.062 -1.305 4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.055 -1.352 6.485 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.793 -2.966 5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.421 -2.058 6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.316 0.685 5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.634 0.112 5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.519 0.544 3.679 1.00 0.00 H new ATOM 1331 N VAL A 88 -5.178 -0.910 1.344 1.00 0.00 N ATOM 1332 CA VAL A 88 -5.671 0.213 0.564 1.00 0.00 C ATOM 1333 C VAL A 88 -6.567 1.086 1.445 1.00 0.00 C ATOM 1334 O VAL A 88 -7.429 0.576 2.158 1.00 0.00 O ATOM 1335 CB VAL A 88 -6.381 -0.295 -0.693 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -6.589 0.838 -1.700 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -5.612 -1.457 -1.325 1.00 0.00 C ATOM 0 H VAL A 88 -5.904 -1.519 1.722 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.843 0.835 0.225 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.363 -0.665 -0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.095 0.451 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.198 1.620 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.622 1.251 -1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.138 -1.799 -2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.611 -1.124 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.539 -2.276 -0.610 1.00 0.00 H new ATOM 1347 N TYR A 89 -6.332 2.388 1.365 1.00 0.00 N ATOM 1348 CA TYR A 89 -7.116 3.338 2.136 1.00 0.00 C ATOM 1349 C TYR A 89 -7.639 4.467 1.246 1.00 0.00 C ATOM 1350 O TYR A 89 -6.947 4.915 0.334 1.00 0.00 O ATOM 1351 CB TYR A 89 -6.161 3.926 3.176 1.00 0.00 C ATOM 1352 CG TYR A 89 -4.928 4.605 2.576 1.00 0.00 C ATOM 1353 CD1 TYR A 89 -3.795 3.864 2.306 1.00 0.00 C ATOM 1354 CD2 TYR A 89 -4.949 5.958 2.304 1.00 0.00 C ATOM 1355 CE1 TYR A 89 -2.635 4.503 1.741 1.00 0.00 C ATOM 1356 CE2 TYR A 89 -3.788 6.597 1.739 1.00 0.00 C ATOM 1357 CZ TYR A 89 -2.689 5.838 1.485 1.00 0.00 C ATOM 1358 OH TYR A 89 -1.593 6.441 0.952 1.00 0.00 O ATOM 0 H TYR A 89 -5.610 2.807 0.778 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.977 2.847 2.589 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.703 4.651 3.783 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.835 3.130 3.846 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.779 2.805 2.519 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.836 6.538 2.515 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.742 3.935 1.525 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.791 7.655 1.522 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.775 7.395 0.821 1.00 0.00 H new ATOM 1368 N SER A 90 -8.858 4.894 1.542 1.00 0.00 N ATOM 1369 CA SER A 90 -9.569 5.800 0.656 1.00 0.00 C ATOM 1370 C SER A 90 -9.253 7.250 1.028 1.00 0.00 C ATOM 1371 O SER A 90 -8.568 7.506 2.017 1.00 0.00 O ATOM 1372 CB SER A 90 -11.078 5.555 0.713 1.00 0.00 C ATOM 1373 OG SER A 90 -11.608 5.787 2.015 1.00 0.00 O ATOM 0 H SER A 90 -9.371 4.629 2.383 1.00 0.00 H new ATOM 0 HA SER A 90 -9.236 5.612 -0.365 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.578 6.207 -0.003 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.290 4.529 0.413 1.00 0.00 H new ATOM 0 HG SER A 90 -12.307 6.472 1.966 1.00 0.00 H new ATOM 1379 N SER A 91 -9.767 8.162 0.215 1.00 0.00 N ATOM 1380 CA SER A 91 -9.607 9.580 0.484 1.00 0.00 C ATOM 1381 C SER A 91 -10.215 9.927 1.845 1.00 0.00 C ATOM 1382 O SER A 91 -9.558 10.540 2.684 1.00 0.00 O ATOM 1383 CB SER A 91 -10.251 10.426 -0.616 1.00 0.00 C ATOM 1384 OG SER A 91 -9.812 10.037 -1.915 1.00 0.00 O ATOM 0 H SER A 91 -10.295 7.945 -0.631 1.00 0.00 H new ATOM 0 HA SER A 91 -8.541 9.806 0.501 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.335 10.333 -0.557 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.012 11.477 -0.452 1.00 0.00 H new ATOM 0 HG SER A 91 -9.537 9.096 -1.899 1.00 0.00 H new ATOM 1390 N ASP A 92 -11.463 9.518 2.021 1.00 0.00 N ATOM 1391 CA ASP A 92 -12.189 9.834 3.239 1.00 0.00 C ATOM 1392 C ASP A 92 -11.984 8.709 4.256 1.00 0.00 C ATOM 1393 O ASP A 92 -12.693 8.638 5.259 1.00 0.00 O ATOM 1394 CB ASP A 92 -13.689 9.960 2.969 1.00 0.00 C ATOM 1395 CG ASP A 92 -14.323 8.759 2.264 1.00 0.00 C ATOM 1396 OD1 ASP A 92 -13.648 7.707 2.219 1.00 0.00 O ATOM 1397 OD2 ASP A 92 -15.467 8.919 1.787 1.00 0.00 O ATOM 0 H ASP A 92 -11.990 8.971 1.340 1.00 0.00 H new ATOM 0 HA ASP A 92 -11.811 10.782 3.621 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -14.202 10.117 3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.860 10.850 2.363 1.00 0.00 H new ATOM 1402 N TRP A 93 -11.012 7.858 3.962 1.00 0.00 N ATOM 1403 CA TRP A 93 -10.361 7.078 5.001 1.00 0.00 C ATOM 1404 C TRP A 93 -11.347 6.010 5.478 1.00 0.00 C ATOM 1405 O TRP A 93 -11.883 6.103 6.581 1.00 0.00 O ATOM 1406 CB TRP A 93 -9.862 7.979 6.132 1.00 0.00 C ATOM 1407 CG TRP A 93 -9.191 7.223 7.280 1.00 0.00 C ATOM 1408 CD1 TRP A 93 -9.600 7.122 8.552 1.00 0.00 C ATOM 1409 CD2 TRP A 93 -7.968 6.461 7.209 1.00 0.00 C ATOM 1410 NE1 TRP A 93 -8.734 6.354 9.303 1.00 0.00 N ATOM 1411 CE2 TRP A 93 -7.709 5.939 8.460 1.00 0.00 C ATOM 1412 CE3 TRP A 93 -7.108 6.220 6.123 1.00 0.00 C ATOM 1413 CZ2 TRP A 93 -6.593 5.144 8.743 1.00 0.00 C ATOM 1414 CZ3 TRP A 93 -5.996 5.423 6.422 1.00 0.00 C ATOM 1415 CH2 TRP A 93 -5.722 4.891 7.676 1.00 0.00 C ATOM 0 H TRP A 93 -10.660 7.691 3.019 1.00 0.00 H new ATOM 0 HA TRP A 93 -9.472 6.582 4.611 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -9.154 8.700 5.723 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -10.704 8.548 6.528 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -10.495 7.584 8.941 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -8.828 6.132 10.294 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -7.291 6.618 5.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -6.413 4.747 9.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -5.303 5.207 5.622 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -4.841 4.285 7.827 1.00 0.00 H new ATOM 1426 N LEU A 94 -11.557 5.020 4.623 1.00 0.00 N ATOM 1427 CA LEU A 94 -11.918 3.692 5.089 1.00 0.00 C ATOM 1428 C LEU A 94 -10.852 2.691 4.641 1.00 0.00 C ATOM 1429 O LEU A 94 -10.299 2.814 3.549 1.00 0.00 O ATOM 1430 CB LEU A 94 -13.333 3.330 4.632 1.00 0.00 C ATOM 1431 CG LEU A 94 -14.474 4.076 5.326 1.00 0.00 C ATOM 1432 CD1 LEU A 94 -15.666 4.252 4.384 1.00 0.00 C ATOM 1433 CD2 LEU A 94 -14.871 3.381 6.629 1.00 0.00 C ATOM 0 H LEU A 94 -11.484 5.111 3.610 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.943 3.665 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -13.405 3.513 3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.480 2.261 4.783 1.00 0.00 H new ATOM 0 HG LEU A 94 -14.121 5.073 5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -16.463 4.785 4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -15.357 4.823 3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -16.029 3.273 4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -15.684 3.932 7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -15.199 2.364 6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -14.014 3.351 7.301 1.00 0.00 H new ATOM 1445 N ILE A 95 -10.594 1.722 5.508 1.00 0.00 N ATOM 1446 CA ILE A 95 -9.432 0.864 5.348 1.00 0.00 C ATOM 1447 C ILE A 95 -9.889 -0.534 4.927 1.00 0.00 C ATOM 1448 O ILE A 95 -10.840 -1.075 5.489 1.00 0.00 O ATOM 1449 CB ILE A 95 -8.579 0.876 6.618 1.00 0.00 C ATOM 1450 CG1 ILE A 95 -8.620 2.249 7.293 1.00 0.00 C ATOM 1451 CG2 ILE A 95 -7.148 0.425 6.322 1.00 0.00 C ATOM 1452 CD1 ILE A 95 -7.712 2.281 8.525 1.00 0.00 C ATOM 0 H ILE A 95 -11.170 1.512 6.323 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.787 1.241 4.554 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.003 0.159 7.321 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -8.306 3.016 6.585 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.643 2.485 7.585 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.563 0.443 7.242 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.162 -0.588 5.920 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.698 1.098 5.593 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.759 3.267 8.986 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.044 1.529 9.241 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.685 2.069 8.226 1.00 0.00 H new ATOM 1464 N TYR A 96 -9.190 -1.078 3.942 1.00 0.00 N ATOM 1465 CA TYR A 96 -9.350 -2.480 3.597 1.00 0.00 C ATOM 1466 C TYR A 96 -8.000 -3.125 3.279 1.00 0.00 C ATOM 1467 O TYR A 96 -7.039 -2.431 2.951 1.00 0.00 O ATOM 1468 CB TYR A 96 -10.223 -2.508 2.340 1.00 0.00 C ATOM 1469 CG TYR A 96 -11.667 -2.059 2.575 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -11.969 -0.714 2.645 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -12.667 -2.999 2.718 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -13.327 -0.292 2.866 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -14.026 -2.576 2.939 1.00 0.00 C ATOM 1474 CZ TYR A 96 -14.289 -1.244 3.002 1.00 0.00 C ATOM 1475 OH TYR A 96 -15.572 -0.844 3.211 1.00 0.00 O ATOM 0 H TYR A 96 -8.511 -0.573 3.372 1.00 0.00 H new ATOM 0 HA TYR A 96 -9.793 -3.031 4.427 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -9.772 -1.866 1.583 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -10.229 -3.521 1.937 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -11.186 0.022 2.534 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.431 -4.051 2.664 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.577 0.757 2.923 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.818 -3.301 3.052 1.00 0.00 H new ATOM 0 HH TYR A 96 -16.151 -1.631 3.288 1.00 0.00 H new ATOM 1485 N LYS A 97 -7.970 -4.445 3.388 1.00 0.00 N ATOM 1486 CA LYS A 97 -6.773 -5.197 3.051 1.00 0.00 C ATOM 1487 C LYS A 97 -7.094 -6.181 1.925 1.00 0.00 C ATOM 1488 O LYS A 97 -8.261 -6.470 1.662 1.00 0.00 O ATOM 1489 CB LYS A 97 -6.188 -5.860 4.299 1.00 0.00 C ATOM 1490 CG LYS A 97 -7.073 -7.015 4.772 1.00 0.00 C ATOM 1491 CD LYS A 97 -6.469 -8.365 4.379 1.00 0.00 C ATOM 1492 CE LYS A 97 -7.435 -9.510 4.692 1.00 0.00 C ATOM 1493 NZ LYS A 97 -6.851 -10.807 4.284 1.00 0.00 N ATOM 0 H LYS A 97 -8.756 -5.013 3.705 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.996 -4.529 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -5.186 -6.230 4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.090 -5.122 5.095 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.192 -6.967 5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.068 -6.917 4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.232 -8.365 3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.532 -8.518 4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.658 -9.524 5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.379 -9.350 4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.519 -11.573 4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.661 -10.796 3.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.962 -10.965 4.800 1.00 0.00 H new ATOM 1507 N THR A 98 -6.039 -6.669 1.289 1.00 0.00 N ATOM 1508 CA THR A 98 -6.178 -7.751 0.330 1.00 0.00 C ATOM 1509 C THR A 98 -4.862 -8.521 0.200 1.00 0.00 C ATOM 1510 O THR A 98 -3.792 -7.919 0.123 1.00 0.00 O ATOM 1511 CB THR A 98 -6.664 -7.152 -0.991 1.00 0.00 C ATOM 1512 OG1 THR A 98 -6.796 -8.278 -1.855 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.601 -6.285 -1.668 1.00 0.00 C ATOM 0 H THR A 98 -5.084 -6.335 1.419 1.00 0.00 H new ATOM 0 HA THR A 98 -6.915 -8.482 0.663 1.00 0.00 H new ATOM 0 HB THR A 98 -7.558 -6.555 -0.811 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.745 -8.498 -1.963 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.998 -5.885 -2.601 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.328 -5.462 -1.007 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.719 -6.889 -1.879 1.00 0.00 H new ATOM 1521 N THR A 99 -4.984 -9.840 0.178 1.00 0.00 N ATOM 1522 CA THR A 99 -3.825 -10.696 -0.012 1.00 0.00 C ATOM 1523 C THR A 99 -3.864 -11.345 -1.396 1.00 0.00 C ATOM 1524 O THR A 99 -2.935 -12.056 -1.779 1.00 0.00 O ATOM 1525 CB THR A 99 -3.793 -11.709 1.134 1.00 0.00 C ATOM 1526 OG1 THR A 99 -5.119 -12.230 1.175 1.00 0.00 O ATOM 1527 CG2 THR A 99 -3.613 -11.043 2.500 1.00 0.00 C ATOM 0 H THR A 99 -5.868 -10.337 0.289 1.00 0.00 H new ATOM 0 HA THR A 99 -2.899 -10.122 0.017 1.00 0.00 H new ATOM 0 HB THR A 99 -2.984 -12.420 0.967 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.187 -12.897 1.890 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.597 -11.806 3.278 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.673 -10.491 2.514 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.440 -10.357 2.682 1.00 0.00 H new ATOM 1535 N ASP A 100 -4.948 -11.078 -2.110 1.00 0.00 N ATOM 1536 CA ASP A 100 -5.277 -11.858 -3.291 1.00 0.00 C ATOM 1537 C ASP A 100 -5.204 -10.959 -4.527 1.00 0.00 C ATOM 1538 O ASP A 100 -5.607 -11.362 -5.617 1.00 0.00 O ATOM 1539 CB ASP A 100 -6.696 -12.423 -3.201 1.00 0.00 C ATOM 1540 CG ASP A 100 -7.762 -11.423 -2.750 1.00 0.00 C ATOM 1541 OD1 ASP A 100 -7.816 -10.335 -3.364 1.00 0.00 O ATOM 1542 OD2 ASP A 100 -8.499 -11.768 -1.801 1.00 0.00 O ATOM 0 H ASP A 100 -5.610 -10.332 -1.893 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.565 -12.681 -3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -6.977 -12.815 -4.178 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.693 -13.265 -2.509 1.00 0.00 H new ATOM 1547 N HIS A 101 -4.686 -9.758 -4.316 1.00 0.00 N ATOM 1548 CA HIS A 101 -4.524 -8.810 -5.406 1.00 0.00 C ATOM 1549 C HIS A 101 -5.877 -8.563 -6.076 1.00 0.00 C ATOM 1550 O HIS A 101 -6.158 -9.116 -7.139 1.00 0.00 O ATOM 1551 CB HIS A 101 -3.454 -9.290 -6.389 1.00 0.00 C ATOM 1552 CG HIS A 101 -3.139 -8.301 -7.485 1.00 0.00 C ATOM 1553 ND1 HIS A 101 -2.321 -7.202 -7.291 1.00 0.00 N ATOM 1554 CD2 HIS A 101 -3.540 -8.257 -8.788 1.00 0.00 C ATOM 1555 CE1 HIS A 101 -2.241 -6.533 -8.432 1.00 0.00 C ATOM 1556 NE2 HIS A 101 -2.997 -7.188 -9.358 1.00 0.00 N ATOM 0 H HIS A 101 -4.373 -9.419 -3.406 1.00 0.00 H new ATOM 0 HA HIS A 101 -4.172 -7.856 -5.014 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -2.540 -9.508 -5.837 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -3.784 -10.225 -6.841 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -4.189 -8.971 -9.274 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -1.676 -5.628 -8.599 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -3.125 -6.904 -10.329 1.00 0.00 H new ATOM 1564 N TYR A 102 -6.680 -7.733 -5.428 1.00 0.00 N ATOM 1565 CA TYR A 102 -7.847 -7.160 -6.077 1.00 0.00 C ATOM 1566 C TYR A 102 -8.757 -8.256 -6.634 1.00 0.00 C ATOM 1567 O TYR A 102 -9.281 -8.131 -7.740 1.00 0.00 O ATOM 1568 CB TYR A 102 -7.313 -6.319 -7.238 1.00 0.00 C ATOM 1569 CG TYR A 102 -8.378 -5.462 -7.927 1.00 0.00 C ATOM 1570 CD1 TYR A 102 -8.993 -4.439 -7.235 1.00 0.00 C ATOM 1571 CD2 TYR A 102 -8.723 -5.714 -9.239 1.00 0.00 C ATOM 1572 CE1 TYR A 102 -9.995 -3.633 -7.884 1.00 0.00 C ATOM 1573 CE2 TYR A 102 -9.725 -4.908 -9.887 1.00 0.00 C ATOM 1574 CZ TYR A 102 -10.312 -3.907 -9.178 1.00 0.00 C ATOM 1575 OH TYR A 102 -11.258 -3.146 -9.790 1.00 0.00 O ATOM 0 H TYR A 102 -6.546 -7.443 -4.459 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.431 -6.572 -5.368 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.521 -5.668 -6.868 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.861 -6.982 -7.976 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -8.723 -4.243 -6.208 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -8.242 -6.515 -9.780 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.484 -2.829 -7.355 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -10.004 -5.094 -10.914 1.00 0.00 H new ATOM 0 HH TYR A 102 -11.380 -3.455 -10.712 1.00 0.00 H new ATOM 1585 N ALA A 103 -8.919 -9.306 -5.841 1.00 0.00 N ATOM 1586 CA ALA A 103 -10.032 -10.221 -6.028 1.00 0.00 C ATOM 1587 C ALA A 103 -11.132 -9.893 -5.016 1.00 0.00 C ATOM 1588 O ALA A 103 -12.282 -9.677 -5.392 1.00 0.00 O ATOM 1589 CB ALA A 103 -9.535 -11.663 -5.903 1.00 0.00 C ATOM 0 H ALA A 103 -8.298 -9.543 -5.068 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.458 -10.109 -7.025 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.370 -12.349 -6.043 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.777 -11.854 -6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.103 -11.815 -4.914 1.00 0.00 H new ATOM 1595 N THR A 104 -10.738 -9.866 -3.751 1.00 0.00 N ATOM 1596 CA THR A 104 -11.653 -9.479 -2.691 1.00 0.00 C ATOM 1597 C THR A 104 -10.949 -8.565 -1.686 1.00 0.00 C ATOM 1598 O THR A 104 -9.734 -8.384 -1.752 1.00 0.00 O ATOM 1599 CB THR A 104 -12.214 -10.756 -2.061 1.00 0.00 C ATOM 1600 OG1 THR A 104 -11.111 -11.305 -1.346 1.00 0.00 O ATOM 1601 CG2 THR A 104 -12.551 -11.824 -3.104 1.00 0.00 C ATOM 0 H THR A 104 -9.798 -10.106 -3.437 1.00 0.00 H new ATOM 0 HA THR A 104 -12.488 -8.898 -3.082 1.00 0.00 H new ATOM 0 HB THR A 104 -13.108 -10.514 -1.487 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.345 -11.400 -1.950 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.945 -12.709 -2.604 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.298 -11.434 -3.795 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.650 -12.090 -3.656 1.00 0.00 H new ATOM 1609 N PHE A 105 -11.742 -8.014 -0.779 1.00 0.00 N ATOM 1610 CA PHE A 105 -11.199 -7.197 0.293 1.00 0.00 C ATOM 1611 C PHE A 105 -11.921 -7.474 1.613 1.00 0.00 C ATOM 1612 O PHE A 105 -13.010 -8.045 1.620 1.00 0.00 O ATOM 1613 CB PHE A 105 -11.423 -5.736 -0.101 1.00 0.00 C ATOM 1614 CG PHE A 105 -10.467 -5.229 -1.183 1.00 0.00 C ATOM 1615 CD1 PHE A 105 -10.753 -5.439 -2.496 1.00 0.00 C ATOM 1616 CD2 PHE A 105 -9.331 -4.568 -0.832 1.00 0.00 C ATOM 1617 CE1 PHE A 105 -9.866 -4.969 -3.500 1.00 0.00 C ATOM 1618 CE2 PHE A 105 -8.444 -4.098 -1.836 1.00 0.00 C ATOM 1619 CZ PHE A 105 -8.730 -4.309 -3.149 1.00 0.00 C ATOM 0 H PHE A 105 -12.757 -8.117 -0.764 1.00 0.00 H new ATOM 0 HA PHE A 105 -10.142 -7.423 0.434 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -12.448 -5.618 -0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -11.316 -5.111 0.786 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -11.655 -5.963 -2.775 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -9.104 -4.401 0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -10.093 -5.136 -4.543 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.542 -3.573 -1.557 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.055 -3.952 -3.913 1.00 0.00 H new ATOM 1629 N THR A 106 -11.285 -7.056 2.697 1.00 0.00 N ATOM 1630 CA THR A 106 -11.941 -7.051 3.994 1.00 0.00 C ATOM 1631 C THR A 106 -11.616 -5.762 4.751 1.00 0.00 C ATOM 1632 O THR A 106 -10.469 -5.318 4.765 1.00 0.00 O ATOM 1633 CB THR A 106 -11.519 -8.318 4.742 1.00 0.00 C ATOM 1634 OG1 THR A 106 -11.977 -9.381 3.911 1.00 0.00 O ATOM 1635 CG2 THR A 106 -12.288 -8.509 6.050 1.00 0.00 C ATOM 0 H THR A 106 -10.323 -6.718 2.704 1.00 0.00 H new ATOM 0 HA THR A 106 -13.026 -7.064 3.889 1.00 0.00 H new ATOM 0 HB THR A 106 -10.450 -8.276 4.952 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.743 -10.240 4.320 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.950 -9.422 6.541 1.00 0.00 H new ATOM 0 HG22 THR A 106 -12.108 -7.657 6.706 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.354 -8.585 5.837 1.00 0.00 H new ATOM 1643 N ARG A 107 -12.647 -5.197 5.362 1.00 0.00 N ATOM 1644 CA ARG A 107 -12.470 -4.017 6.191 1.00 0.00 C ATOM 1645 C ARG A 107 -11.906 -4.408 7.559 1.00 0.00 C ATOM 1646 O ARG A 107 -12.488 -5.233 8.261 1.00 0.00 O ATOM 1647 CB ARG A 107 -13.795 -3.277 6.386 1.00 0.00 C ATOM 1648 CG ARG A 107 -13.567 -1.770 6.520 1.00 0.00 C ATOM 1649 CD ARG A 107 -14.846 -1.060 6.969 1.00 0.00 C ATOM 1650 NE ARG A 107 -14.911 -1.022 8.447 1.00 0.00 N ATOM 1651 CZ ARG A 107 -15.825 -0.332 9.142 1.00 0.00 C ATOM 1652 NH1 ARG A 107 -16.863 0.232 8.508 1.00 0.00 N ATOM 1653 NH2 ARG A 107 -15.703 -0.205 10.470 1.00 0.00 N ATOM 0 H ARG A 107 -13.608 -5.534 5.300 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.769 -3.356 5.681 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.454 -3.475 5.541 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -14.298 -3.653 7.277 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -12.770 -1.582 7.240 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -13.237 -1.362 5.565 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -14.868 -0.046 6.570 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -15.718 -1.579 6.572 1.00 0.00 H new ATOM 0 HE ARG A 107 -14.216 -1.555 8.970 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -16.957 0.136 7.497 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -17.559 0.757 9.037 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -14.914 -0.634 10.953 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -16.400 0.321 10.998 1.00 0.00 H new ATOM 1667 N ILE A 108 -10.779 -3.798 7.895 1.00 0.00 N ATOM 1668 CA ILE A 108 -10.037 -4.197 9.079 1.00 0.00 C ATOM 1669 C ILE A 108 -10.229 -3.146 10.174 1.00 0.00 C ATOM 1670 O ILE A 108 -10.068 -3.441 11.358 1.00 0.00 O ATOM 1671 CB ILE A 108 -8.571 -4.459 8.729 1.00 0.00 C ATOM 1672 CG1 ILE A 108 -7.665 -3.373 9.314 1.00 0.00 C ATOM 1673 CG2 ILE A 108 -8.386 -4.607 7.218 1.00 0.00 C ATOM 1674 CD1 ILE A 108 -7.699 -2.109 8.453 1.00 0.00 C ATOM 0 H ILE A 108 -10.362 -3.031 7.368 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.421 -5.139 9.470 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.275 -5.404 9.184 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -7.985 -3.135 10.329 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -6.642 -3.744 9.381 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.335 -4.792 6.997 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.986 -5.443 6.858 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.705 -3.691 6.721 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.047 -1.353 8.891 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.356 -2.345 7.446 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.719 -1.727 8.408 1.00 0.00 H new ATOM 1686 N ARG A 109 -10.571 -1.941 9.741 1.00 0.00 N ATOM 1687 CA ARG A 109 -10.865 -0.866 10.673 1.00 0.00 C ATOM 1688 C ARG A 109 -12.093 -0.081 10.208 1.00 0.00 C ATOM 1689 O ARG A 109 -13.026 0.051 11.030 1.00 0.00 O ATOM 1690 CB ARG A 109 -9.677 0.089 10.803 1.00 0.00 C ATOM 1691 CG ARG A 109 -9.775 0.915 12.088 1.00 0.00 C ATOM 1692 CD ARG A 109 -8.430 1.560 12.428 1.00 0.00 C ATOM 1693 NE ARG A 109 -7.450 0.518 12.807 1.00 0.00 N ATOM 1694 CZ ARG A 109 -6.164 0.765 13.091 1.00 0.00 C ATOM 1695 NH1 ARG A 109 -5.717 2.027 13.136 1.00 0.00 N ATOM 1696 NH2 ARG A 109 -5.324 -0.252 13.331 1.00 0.00 N ATOM 0 H ARG A 109 -10.651 -1.686 8.757 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.064 -1.315 11.646 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -8.747 -0.480 10.802 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.645 0.754 9.940 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.534 1.688 11.971 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.095 0.277 12.912 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -8.061 2.124 11.571 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -8.554 2.269 13.246 1.00 0.00 H new ATOM 0 HE ARG A 109 -7.773 -0.448 12.855 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -6.356 2.801 12.954 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -4.738 2.214 13.352 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -5.664 -1.213 13.297 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -4.345 -0.065 13.547 1.00 0.00 H new TER 1710 ARG A 109