USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 805 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 86 THR OG1 : rot 105:sc= 1.56 USER MOD Set 1.2: A 100 SER OG : rot -45:sc= 0.449 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -151:sc= 1.25 (180deg=1.17) USER MOD Single : A 25 TYR OH : rot 56:sc= 1.22 USER MOD Single : A 28 GLN : amide:sc= 0.0758 K(o=0.076,f=1.1) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 88:sc= 1.58 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 77:sc= 1.21 USER MOD Single : A 43 TYR OH : rot -139:sc= 1.04 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 79:sc= 1.29 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 53:sc= 0.0895 USER MOD Single : A 57 SER OG : rot -86:sc= 0.568 USER MOD Single : A 64 ASN : amide:sc=-0.00867 X(o=-0.0087,f=-0.5) USER MOD Single : A 66 THR OG1 : rot 101:sc= 0.0971 USER MOD Single : A 67 LYS NZ :NH3+ 161:sc= -0.0711 (180deg=-0.474) USER MOD Single : A 72 TYR OH : rot 54:sc= 0.493 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.55) USER MOD Single : A 80 ASN : amide:sc= -1.21 K(o=-1.2,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -54:sc= 0.729 USER MOD Single : A 90 HIS : no HE2:sc= -0.627 X(o=-0.63,f=-0.76) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0174) USER MOD Single : A 106 SER OG : rot 128:sc= 1 USER MOD Single : A 107 SER OG : rot -89:sc= 1.37 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0.729 K(o=0.73,f=-0.32) USER MOD Single : A 114 THR OG1 : rot -14:sc= -1.24 USER MOD Single : A 115 LYS NZ :NH3+ 165:sc= 0.886 (180deg=0.493) USER MOD Single : A 118 LYS NZ :NH3+ 153:sc= 1.21 (180deg=0.769) USER MOD Single : A 123 ASN : amide:sc= -0.101 K(o=-0.1,f=-2!) USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 0.428 18.318 2.658 1.00 0.00 N ATOM 2 CA GLY A 19 0.350 18.324 4.120 1.00 0.00 C ATOM 3 C GLY A 19 -0.419 17.138 4.628 1.00 0.00 C ATOM 4 O GLY A 19 -1.547 16.893 4.179 1.00 0.00 O ATOM 0 HA2 GLY A 19 1.356 18.316 4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.129 19.243 4.457 1.00 0.00 H new ATOM 10 N ALA A 20 0.220 16.366 5.533 1.00 0.00 N ATOM 11 CA ALA A 20 -0.336 15.144 6.153 1.00 0.00 C ATOM 12 C ALA A 20 -0.598 14.057 5.107 1.00 0.00 C ATOM 13 O ALA A 20 -1.297 13.085 5.361 1.00 0.00 O ATOM 14 CB ALA A 20 -1.596 15.456 6.964 1.00 0.00 C ATOM 0 H ALA A 20 1.162 16.581 5.861 1.00 0.00 H new ATOM 0 HA ALA A 20 0.412 14.757 6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.980 14.537 7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.353 16.166 7.755 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.353 15.887 6.309 1.00 0.00 H new ATOM 20 N ASP A 21 0.028 14.213 3.963 1.00 0.00 N ATOM 21 CA ASP A 21 -0.161 13.322 2.827 1.00 0.00 C ATOM 22 C ASP A 21 0.986 12.338 2.724 1.00 0.00 C ATOM 23 O ASP A 21 0.905 11.324 2.011 1.00 0.00 O ATOM 24 CB ASP A 21 -0.268 14.132 1.522 1.00 0.00 C ATOM 25 CG ASP A 21 0.998 14.907 1.186 1.00 0.00 C ATOM 26 OD1 ASP A 21 1.722 14.522 0.241 1.00 0.00 O ATOM 27 OD2 ASP A 21 1.290 15.931 1.860 1.00 0.00 O ATOM 0 H ASP A 21 0.691 14.968 3.787 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.087 12.769 2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.499 13.454 0.700 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.101 14.830 1.603 1.00 0.00 H new ATOM 32 N SER A 22 2.061 12.631 3.388 1.00 0.00 N ATOM 33 CA SER A 22 3.177 11.756 3.371 1.00 0.00 C ATOM 34 C SER A 22 3.506 11.242 4.759 1.00 0.00 C ATOM 35 O SER A 22 3.372 11.954 5.748 1.00 0.00 O ATOM 36 CB SER A 22 4.368 12.409 2.677 1.00 0.00 C ATOM 37 OG SER A 22 4.583 13.720 3.153 1.00 0.00 O ATOM 0 H SER A 22 2.183 13.474 3.949 1.00 0.00 H new ATOM 0 HA SER A 22 2.914 10.877 2.783 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.262 11.808 2.843 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.196 12.434 1.601 1.00 0.00 H new ATOM 0 HG SER A 22 5.353 14.113 2.692 1.00 0.00 H new ATOM 43 N CYS A 23 3.896 10.003 4.815 1.00 0.00 N ATOM 44 CA CYS A 23 4.256 9.344 6.031 1.00 0.00 C ATOM 45 C CYS A 23 5.365 8.379 5.667 1.00 0.00 C ATOM 46 O CYS A 23 5.285 7.720 4.626 1.00 0.00 O ATOM 47 CB CYS A 23 3.020 8.614 6.579 1.00 0.00 C ATOM 48 SG CYS A 23 3.251 7.709 8.151 1.00 0.00 S ATOM 0 H CYS A 23 3.974 9.407 3.991 1.00 0.00 H new ATOM 0 HA CYS A 23 4.598 10.031 6.806 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.223 9.345 6.718 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.676 7.907 5.824 1.00 0.00 H new ATOM 53 N LYS A 24 6.399 8.312 6.456 1.00 0.00 N ATOM 54 CA LYS A 24 7.538 7.493 6.111 1.00 0.00 C ATOM 55 C LYS A 24 7.237 6.016 6.272 1.00 0.00 C ATOM 56 O LYS A 24 7.104 5.517 7.390 1.00 0.00 O ATOM 57 CB LYS A 24 8.800 7.908 6.889 1.00 0.00 C ATOM 58 CG LYS A 24 9.165 9.390 6.730 1.00 0.00 C ATOM 59 CD LYS A 24 9.332 9.796 5.261 1.00 0.00 C ATOM 60 CE LYS A 24 10.612 9.272 4.631 1.00 0.00 C ATOM 61 NZ LYS A 24 11.817 9.935 5.166 1.00 0.00 N ATOM 0 H LYS A 24 6.482 8.811 7.342 1.00 0.00 H new ATOM 0 HA LYS A 24 7.746 7.664 5.055 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.651 7.691 7.947 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.639 7.299 6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.389 10.004 7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.091 9.593 7.268 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.479 9.429 4.691 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.319 10.884 5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.685 8.198 4.804 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.569 9.419 3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.561 9.943 4.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.585 10.913 5.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.156 9.417 6.002 1.00 0.00 H new ATOM 75 N TYR A 25 7.083 5.341 5.116 1.00 0.00 N ATOM 76 CA TYR A 25 6.849 3.889 5.040 1.00 0.00 C ATOM 77 C TYR A 25 5.452 3.543 5.511 1.00 0.00 C ATOM 78 O TYR A 25 5.238 2.539 6.186 1.00 0.00 O ATOM 79 CB TYR A 25 7.926 3.094 5.831 1.00 0.00 C ATOM 80 CG TYR A 25 9.327 3.169 5.249 1.00 0.00 C ATOM 81 CD1 TYR A 25 9.969 2.029 4.812 1.00 0.00 C ATOM 82 CD2 TYR A 25 9.997 4.379 5.130 1.00 0.00 C ATOM 83 CE1 TYR A 25 11.236 2.082 4.285 1.00 0.00 C ATOM 84 CE2 TYR A 25 11.256 4.451 4.600 1.00 0.00 C ATOM 85 CZ TYR A 25 11.882 3.303 4.179 1.00 0.00 C ATOM 86 OH TYR A 25 13.163 3.377 3.679 1.00 0.00 O ATOM 0 H TYR A 25 7.118 5.794 4.203 1.00 0.00 H new ATOM 0 HA TYR A 25 6.934 3.594 3.994 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.953 3.466 6.855 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.623 2.048 5.879 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.466 1.076 4.886 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.513 5.285 5.464 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.726 1.178 3.955 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.755 5.405 4.513 1.00 0.00 H new ATOM 0 HH TYR A 25 13.192 2.963 2.791 1.00 0.00 H new ATOM 96 N CYS A 26 4.496 4.348 5.117 1.00 0.00 N ATOM 97 CA CYS A 26 3.132 4.118 5.515 1.00 0.00 C ATOM 98 C CYS A 26 2.255 4.022 4.279 1.00 0.00 C ATOM 99 O CYS A 26 2.506 4.701 3.280 1.00 0.00 O ATOM 100 CB CYS A 26 2.648 5.281 6.370 1.00 0.00 C ATOM 101 SG CYS A 26 3.856 5.839 7.622 1.00 0.00 S ATOM 0 H CYS A 26 4.638 5.165 4.523 1.00 0.00 H new ATOM 0 HA CYS A 26 3.076 3.191 6.085 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.402 6.120 5.718 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.727 4.989 6.874 1.00 0.00 H new ATOM 106 N LEU A 27 1.261 3.189 4.351 1.00 0.00 N ATOM 107 CA LEU A 27 0.286 3.027 3.297 1.00 0.00 C ATOM 108 C LEU A 27 -0.932 3.807 3.695 1.00 0.00 C ATOM 109 O LEU A 27 -1.399 3.675 4.831 1.00 0.00 O ATOM 110 CB LEU A 27 -0.061 1.542 3.147 1.00 0.00 C ATOM 111 CG LEU A 27 -1.111 1.131 2.121 1.00 0.00 C ATOM 112 CD1 LEU A 27 -0.723 1.543 0.722 1.00 0.00 C ATOM 113 CD2 LEU A 27 -1.306 -0.345 2.176 1.00 0.00 C ATOM 0 H LEU A 27 1.095 2.587 5.158 1.00 0.00 H new ATOM 0 HA LEU A 27 0.673 3.385 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.860 1.011 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.392 1.181 4.121 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.041 1.642 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.499 1.231 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.611 2.626 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.221 1.070 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.057 -0.640 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.364 -0.845 1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.641 -0.631 3.173 1.00 0.00 H new ATOM 125 N GLN A 28 -1.422 4.651 2.824 1.00 0.00 N ATOM 126 CA GLN A 28 -2.583 5.425 3.156 1.00 0.00 C ATOM 127 C GLN A 28 -3.687 5.101 2.206 1.00 0.00 C ATOM 128 O GLN A 28 -3.527 5.185 0.973 1.00 0.00 O ATOM 129 CB GLN A 28 -2.248 6.902 3.086 1.00 0.00 C ATOM 130 CG GLN A 28 -1.154 7.302 4.051 1.00 0.00 C ATOM 131 CD GLN A 28 -0.602 8.671 3.753 1.00 0.00 C ATOM 132 OE1 GLN A 28 -1.040 9.660 4.287 1.00 0.00 O ATOM 133 NE2 GLN A 28 0.340 8.731 2.853 1.00 0.00 N ATOM 0 H GLN A 28 -1.040 4.817 1.893 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.905 5.184 4.169 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.940 7.152 2.071 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.145 7.484 3.299 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.545 7.284 5.068 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.348 6.570 4.007 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.688 7.875 2.421 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.729 9.634 2.581 1.00 0.00 H new ATOM 142 N LEU A 29 -4.782 4.700 2.758 1.00 0.00 N ATOM 143 CA LEU A 29 -5.935 4.392 1.988 1.00 0.00 C ATOM 144 C LEU A 29 -7.009 5.423 2.237 1.00 0.00 C ATOM 145 O LEU A 29 -7.413 5.624 3.383 1.00 0.00 O ATOM 146 CB LEU A 29 -6.421 2.975 2.266 1.00 0.00 C ATOM 147 CG LEU A 29 -5.360 1.875 2.093 1.00 0.00 C ATOM 148 CD1 LEU A 29 -4.789 1.408 3.423 1.00 0.00 C ATOM 149 CD2 LEU A 29 -5.899 0.725 1.319 1.00 0.00 C ATOM 0 H LEU A 29 -4.901 4.576 3.763 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.675 4.428 0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.803 2.932 3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.258 2.758 1.603 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.540 2.317 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.045 0.631 3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.321 2.250 3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.591 1.008 4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.126 -0.036 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.755 0.302 1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.211 1.065 0.332 1.00 0.00 H new ATOM 161 N TYR A 30 -7.461 6.062 1.197 1.00 0.00 N ATOM 162 CA TYR A 30 -8.472 7.101 1.304 1.00 0.00 C ATOM 163 C TYR A 30 -9.840 6.514 1.139 1.00 0.00 C ATOM 164 O TYR A 30 -10.010 5.529 0.421 1.00 0.00 O ATOM 165 CB TYR A 30 -8.251 8.182 0.261 1.00 0.00 C ATOM 166 CG TYR A 30 -7.011 9.005 0.482 1.00 0.00 C ATOM 167 CD1 TYR A 30 -5.791 8.615 -0.048 1.00 0.00 C ATOM 168 CD2 TYR A 30 -7.061 10.177 1.223 1.00 0.00 C ATOM 169 CE1 TYR A 30 -4.659 9.370 0.151 1.00 0.00 C ATOM 170 CE2 TYR A 30 -5.927 10.938 1.426 1.00 0.00 C ATOM 171 CZ TYR A 30 -4.729 10.526 0.888 1.00 0.00 C ATOM 172 OH TYR A 30 -3.594 11.282 1.079 1.00 0.00 O ATOM 0 H TYR A 30 -7.145 5.885 0.244 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.390 7.550 2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.194 7.716 -0.723 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.117 8.844 0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.729 7.705 -0.626 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.001 10.499 1.647 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.717 9.054 -0.272 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -5.980 11.850 2.003 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.812 12.069 1.621 1.00 0.00 H new ATOM 182 N ASP A 31 -10.815 7.111 1.781 1.00 0.00 N ATOM 183 CA ASP A 31 -12.174 6.593 1.737 1.00 0.00 C ATOM 184 C ASP A 31 -12.841 6.873 0.403 1.00 0.00 C ATOM 185 O ASP A 31 -13.601 6.051 -0.114 1.00 0.00 O ATOM 186 CB ASP A 31 -13.023 7.126 2.889 1.00 0.00 C ATOM 187 CG ASP A 31 -14.405 6.507 2.907 1.00 0.00 C ATOM 188 OD1 ASP A 31 -15.393 7.198 2.603 1.00 0.00 O ATOM 189 OD2 ASP A 31 -14.523 5.302 3.212 1.00 0.00 O ATOM 0 H ASP A 31 -10.700 7.955 2.341 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.099 5.512 1.852 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.521 6.921 3.835 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.112 8.209 2.804 1.00 0.00 H new ATOM 194 N GLU A 32 -12.537 7.997 -0.170 1.00 0.00 N ATOM 195 CA GLU A 32 -13.084 8.352 -1.444 1.00 0.00 C ATOM 196 C GLU A 32 -12.002 8.267 -2.489 1.00 0.00 C ATOM 197 O GLU A 32 -10.845 7.954 -2.178 1.00 0.00 O ATOM 198 CB GLU A 32 -13.686 9.747 -1.428 1.00 0.00 C ATOM 199 CG GLU A 32 -14.874 9.923 -0.514 1.00 0.00 C ATOM 200 CD GLU A 32 -15.479 11.287 -0.661 1.00 0.00 C ATOM 201 OE1 GLU A 32 -16.246 11.502 -1.621 1.00 0.00 O ATOM 202 OE2 GLU A 32 -15.214 12.177 0.159 1.00 0.00 O ATOM 0 H GLU A 32 -11.906 8.691 0.230 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.886 7.653 -1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.912 10.456 -1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.987 10.007 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.624 9.164 -0.739 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.565 9.769 0.520 1.00 0.00 H new ATOM 209 N THR A 33 -12.362 8.525 -3.707 1.00 0.00 N ATOM 210 CA THR A 33 -11.462 8.485 -4.795 1.00 0.00 C ATOM 211 C THR A 33 -10.695 9.807 -4.853 1.00 0.00 C ATOM 212 O THR A 33 -11.037 10.737 -4.109 1.00 0.00 O ATOM 213 CB THR A 33 -12.286 8.270 -6.066 1.00 0.00 C ATOM 214 OG1 THR A 33 -13.502 9.038 -5.951 1.00 0.00 O ATOM 215 CG2 THR A 33 -12.649 6.809 -6.252 1.00 0.00 C ATOM 0 H THR A 33 -13.316 8.775 -3.969 1.00 0.00 H new ATOM 0 HA THR A 33 -10.738 7.677 -4.689 1.00 0.00 H new ATOM 0 HB THR A 33 -11.694 8.586 -6.925 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.347 9.947 -6.282 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.234 6.693 -7.164 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.738 6.215 -6.327 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.236 6.468 -5.399 1.00 0.00 H new ATOM 223 N TYR A 34 -9.661 9.879 -5.704 1.00 0.00 N ATOM 224 CA TYR A 34 -8.833 11.093 -5.913 1.00 0.00 C ATOM 225 C TYR A 34 -8.388 11.763 -4.600 1.00 0.00 C ATOM 226 O TYR A 34 -8.516 12.980 -4.425 1.00 0.00 O ATOM 227 CB TYR A 34 -9.440 12.094 -6.975 1.00 0.00 C ATOM 228 CG TYR A 34 -10.885 12.508 -6.752 1.00 0.00 C ATOM 229 CD1 TYR A 34 -11.917 11.676 -7.134 1.00 0.00 C ATOM 230 CD2 TYR A 34 -11.210 13.704 -6.141 1.00 0.00 C ATOM 231 CE1 TYR A 34 -13.225 12.007 -6.915 1.00 0.00 C ATOM 232 CE2 TYR A 34 -12.529 14.050 -5.922 1.00 0.00 C ATOM 233 CZ TYR A 34 -13.532 13.194 -6.308 1.00 0.00 C ATOM 234 OH TYR A 34 -14.853 13.524 -6.074 1.00 0.00 O ATOM 0 H TYR A 34 -9.366 9.089 -6.278 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.908 10.738 -6.368 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.824 12.993 -6.991 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.362 11.637 -7.961 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.685 10.739 -7.619 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.423 14.376 -5.831 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.013 11.334 -7.220 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.771 14.990 -5.449 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.899 14.399 -5.635 1.00 0.00 H new ATOM 244 N GLU A 35 -7.895 10.926 -3.675 1.00 0.00 N ATOM 245 CA GLU A 35 -7.404 11.329 -2.355 1.00 0.00 C ATOM 246 C GLU A 35 -8.452 12.030 -1.484 1.00 0.00 C ATOM 247 O GLU A 35 -8.110 12.741 -0.538 1.00 0.00 O ATOM 248 CB GLU A 35 -6.114 12.168 -2.427 1.00 0.00 C ATOM 249 CG GLU A 35 -4.856 11.397 -2.826 1.00 0.00 C ATOM 250 CD GLU A 35 -4.749 11.063 -4.287 1.00 0.00 C ATOM 251 OE1 GLU A 35 -4.130 11.860 -5.038 1.00 0.00 O ATOM 252 OE2 GLU A 35 -5.214 10.016 -4.710 1.00 0.00 O ATOM 0 H GLU A 35 -7.826 9.921 -3.833 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.168 10.386 -1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.266 12.978 -3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.945 12.629 -1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.983 11.983 -2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.820 10.470 -2.254 1.00 0.00 H new ATOM 259 N ARG A 36 -9.708 11.799 -1.747 1.00 0.00 N ATOM 260 CA ARG A 36 -10.743 12.416 -0.949 1.00 0.00 C ATOM 261 C ARG A 36 -11.163 11.533 0.212 1.00 0.00 C ATOM 262 O ARG A 36 -10.843 10.330 0.267 1.00 0.00 O ATOM 263 CB ARG A 36 -11.949 12.815 -1.790 1.00 0.00 C ATOM 264 CG ARG A 36 -11.675 13.896 -2.802 1.00 0.00 C ATOM 265 CD ARG A 36 -11.210 15.194 -2.171 1.00 0.00 C ATOM 266 NE ARG A 36 -12.180 15.735 -1.205 1.00 0.00 N ATOM 267 CZ ARG A 36 -12.085 16.933 -0.611 1.00 0.00 C ATOM 268 NH1 ARG A 36 -11.066 17.735 -0.886 1.00 0.00 N ATOM 269 NH2 ARG A 36 -13.013 17.321 0.246 1.00 0.00 N ATOM 0 H ARG A 36 -10.043 11.196 -2.498 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.313 13.328 -0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.320 11.933 -2.311 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.745 13.151 -1.125 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.916 13.547 -3.502 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.580 14.083 -3.380 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.257 15.028 -1.669 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.033 15.931 -2.954 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.985 15.155 -0.970 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.351 17.441 -1.551 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.997 18.646 -0.432 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.802 16.709 0.456 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.941 18.233 0.698 1.00 0.00 H new ATOM 283 N GLY A 37 -11.898 12.126 1.114 1.00 0.00 N ATOM 284 CA GLY A 37 -12.337 11.451 2.291 1.00 0.00 C ATOM 285 C GLY A 37 -11.246 11.440 3.316 1.00 0.00 C ATOM 286 O GLY A 37 -10.276 12.211 3.212 1.00 0.00 O ATOM 0 H GLY A 37 -12.207 13.096 1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.221 11.945 2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.627 10.429 2.047 1.00 0.00 H new ATOM 290 N SER A 38 -11.385 10.617 4.298 1.00 0.00 N ATOM 291 CA SER A 38 -10.361 10.469 5.279 1.00 0.00 C ATOM 292 C SER A 38 -9.458 9.330 4.844 1.00 0.00 C ATOM 293 O SER A 38 -9.752 8.650 3.849 1.00 0.00 O ATOM 294 CB SER A 38 -10.979 10.179 6.630 1.00 0.00 C ATOM 295 OG SER A 38 -11.968 11.158 6.946 1.00 0.00 O ATOM 0 H SER A 38 -12.206 10.030 4.445 1.00 0.00 H new ATOM 0 HA SER A 38 -9.780 11.387 5.369 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.429 9.186 6.625 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.205 10.174 7.397 1.00 0.00 H new ATOM 0 HG SER A 38 -12.360 10.956 7.821 1.00 0.00 H new ATOM 301 N TYR A 39 -8.387 9.118 5.543 1.00 0.00 N ATOM 302 CA TYR A 39 -7.472 8.078 5.180 1.00 0.00 C ATOM 303 C TYR A 39 -6.955 7.390 6.413 1.00 0.00 C ATOM 304 O TYR A 39 -7.027 7.930 7.531 1.00 0.00 O ATOM 305 CB TYR A 39 -6.300 8.639 4.352 1.00 0.00 C ATOM 306 CG TYR A 39 -5.412 9.594 5.108 1.00 0.00 C ATOM 307 CD1 TYR A 39 -4.150 9.214 5.520 1.00 0.00 C ATOM 308 CD2 TYR A 39 -5.845 10.866 5.423 1.00 0.00 C ATOM 309 CE1 TYR A 39 -3.347 10.074 6.224 1.00 0.00 C ATOM 310 CE2 TYR A 39 -5.057 11.732 6.124 1.00 0.00 C ATOM 311 CZ TYR A 39 -3.803 11.334 6.523 1.00 0.00 C ATOM 312 OH TYR A 39 -3.007 12.197 7.226 1.00 0.00 O ATOM 0 H TYR A 39 -8.123 9.652 6.371 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.006 7.353 4.566 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.695 7.808 3.989 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.700 9.149 3.475 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.790 8.224 5.284 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.828 11.183 5.108 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.363 9.762 6.541 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.416 12.722 6.363 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.324 12.571 6.631 1.00 0.00 H new ATOM 322 N ILE A 40 -6.430 6.235 6.216 1.00 0.00 N ATOM 323 CA ILE A 40 -5.875 5.462 7.276 1.00 0.00 C ATOM 324 C ILE A 40 -4.381 5.338 7.034 1.00 0.00 C ATOM 325 O ILE A 40 -3.932 5.384 5.885 1.00 0.00 O ATOM 326 CB ILE A 40 -6.524 4.045 7.314 1.00 0.00 C ATOM 327 CG1 ILE A 40 -6.084 3.261 8.561 1.00 0.00 C ATOM 328 CG2 ILE A 40 -6.171 3.277 6.046 1.00 0.00 C ATOM 329 CD1 ILE A 40 -6.771 1.924 8.728 1.00 0.00 C ATOM 0 H ILE A 40 -6.371 5.790 5.300 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.068 5.949 8.232 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.606 4.167 7.366 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.007 3.100 8.514 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.277 3.869 9.445 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.628 2.288 6.080 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.544 3.819 5.177 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.088 3.174 5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.404 1.436 9.631 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.847 2.076 8.810 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.558 1.295 7.864 1.00 0.00 H new ATOM 341 N GLU A 41 -3.628 5.238 8.082 1.00 0.00 N ATOM 342 CA GLU A 41 -2.220 5.025 7.965 1.00 0.00 C ATOM 343 C GLU A 41 -1.936 3.610 8.375 1.00 0.00 C ATOM 344 O GLU A 41 -2.320 3.182 9.468 1.00 0.00 O ATOM 345 CB GLU A 41 -1.481 5.978 8.879 1.00 0.00 C ATOM 346 CG GLU A 41 -1.589 7.431 8.485 1.00 0.00 C ATOM 347 CD GLU A 41 -1.242 8.338 9.622 1.00 0.00 C ATOM 348 OE1 GLU A 41 -2.151 9.037 10.121 1.00 0.00 O ATOM 349 OE2 GLU A 41 -0.089 8.328 10.094 1.00 0.00 O ATOM 0 H GLU A 41 -3.970 5.301 9.041 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.891 5.200 6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.864 5.860 9.893 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.428 5.698 8.901 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.925 7.631 7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.604 7.642 8.147 1.00 0.00 H new ATOM 356 N VAL A 42 -1.292 2.903 7.516 1.00 0.00 N ATOM 357 CA VAL A 42 -0.922 1.536 7.745 1.00 0.00 C ATOM 358 C VAL A 42 0.582 1.466 7.720 1.00 0.00 C ATOM 359 O VAL A 42 1.213 2.064 6.850 1.00 0.00 O ATOM 360 CB VAL A 42 -1.538 0.631 6.652 1.00 0.00 C ATOM 361 CG1 VAL A 42 -1.101 -0.811 6.783 1.00 0.00 C ATOM 362 CG2 VAL A 42 -3.049 0.729 6.673 1.00 0.00 C ATOM 0 H VAL A 42 -0.996 3.261 6.608 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.296 1.186 8.707 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.169 0.992 5.692 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.561 -1.404 5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.016 -0.872 6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.411 -1.198 7.754 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.466 0.086 5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.421 0.411 7.647 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.349 1.761 6.489 1.00 0.00 H new ATOM 372 N TYR A 43 1.151 0.785 8.675 1.00 0.00 N ATOM 373 CA TYR A 43 2.594 0.751 8.820 1.00 0.00 C ATOM 374 C TYR A 43 3.112 -0.671 8.660 1.00 0.00 C ATOM 375 O TYR A 43 4.288 -0.899 8.334 1.00 0.00 O ATOM 376 CB TYR A 43 2.964 1.260 10.218 1.00 0.00 C ATOM 377 CG TYR A 43 2.277 2.566 10.606 1.00 0.00 C ATOM 378 CD1 TYR A 43 1.121 2.560 11.381 1.00 0.00 C ATOM 379 CD2 TYR A 43 2.772 3.791 10.189 1.00 0.00 C ATOM 380 CE1 TYR A 43 0.484 3.735 11.726 1.00 0.00 C ATOM 381 CE2 TYR A 43 2.138 4.974 10.531 1.00 0.00 C ATOM 382 CZ TYR A 43 0.997 4.940 11.297 1.00 0.00 C ATOM 383 OH TYR A 43 0.361 6.121 11.649 1.00 0.00 O ATOM 0 H TYR A 43 0.642 0.241 9.372 1.00 0.00 H new ATOM 0 HA TYR A 43 3.043 1.380 8.052 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.708 0.495 10.951 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.044 1.401 10.268 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.715 1.618 11.719 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.668 3.824 9.587 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.412 3.710 12.329 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.539 5.920 10.197 1.00 0.00 H new ATOM 0 HH TYR A 43 0.351 6.729 10.880 1.00 0.00 H new ATOM 393 N LYS A 44 2.232 -1.618 8.855 1.00 0.00 N ATOM 394 CA LYS A 44 2.588 -3.016 8.866 1.00 0.00 C ATOM 395 C LYS A 44 1.574 -3.820 8.083 1.00 0.00 C ATOM 396 O LYS A 44 0.476 -3.345 7.824 1.00 0.00 O ATOM 397 CB LYS A 44 2.659 -3.524 10.307 1.00 0.00 C ATOM 398 CG LYS A 44 1.388 -3.280 11.095 1.00 0.00 C ATOM 399 CD LYS A 44 1.472 -3.844 12.488 1.00 0.00 C ATOM 400 CE LYS A 44 0.228 -3.499 13.274 1.00 0.00 C ATOM 401 NZ LYS A 44 0.251 -4.077 14.630 1.00 0.00 N ATOM 0 H LYS A 44 1.240 -1.441 9.012 1.00 0.00 H new ATOM 0 HA LYS A 44 3.565 -3.134 8.398 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.872 -4.593 10.297 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.492 -3.038 10.815 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.195 -2.209 11.149 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.545 -3.730 10.572 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.592 -4.926 12.442 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.352 -3.447 12.995 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.133 -2.415 13.344 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.650 -3.863 12.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.621 -3.816 15.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.316 -5.113 14.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.074 -3.711 15.150 1.00 0.00 H new ATOM 415 N SER A 45 1.942 -5.013 7.714 1.00 0.00 N ATOM 416 CA SER A 45 1.092 -5.891 6.964 1.00 0.00 C ATOM 417 C SER A 45 -0.053 -6.463 7.819 1.00 0.00 C ATOM 418 O SER A 45 0.078 -6.634 9.048 1.00 0.00 O ATOM 419 CB SER A 45 1.964 -6.992 6.389 1.00 0.00 C ATOM 420 OG SER A 45 2.928 -7.404 7.353 1.00 0.00 O ATOM 0 H SER A 45 2.857 -5.409 7.930 1.00 0.00 H new ATOM 0 HA SER A 45 0.606 -5.335 6.162 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.346 -7.840 6.095 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.466 -6.637 5.489 1.00 0.00 H new ATOM 0 HG SER A 45 2.505 -8.003 8.003 1.00 0.00 H new ATOM 426 N VAL A 46 -1.171 -6.686 7.190 1.00 0.00 N ATOM 427 CA VAL A 46 -2.307 -7.287 7.816 1.00 0.00 C ATOM 428 C VAL A 46 -2.680 -8.545 7.031 1.00 0.00 C ATOM 429 O VAL A 46 -2.768 -8.501 5.796 1.00 0.00 O ATOM 430 CB VAL A 46 -3.512 -6.299 7.911 1.00 0.00 C ATOM 431 CG1 VAL A 46 -4.029 -5.889 6.551 1.00 0.00 C ATOM 432 CG2 VAL A 46 -4.614 -6.877 8.771 1.00 0.00 C ATOM 0 H VAL A 46 -1.318 -6.450 6.209 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.052 -7.553 8.842 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.147 -5.390 8.390 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.866 -5.202 6.672 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.233 -5.396 5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.361 -6.773 6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.443 -6.171 8.823 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.962 -7.814 8.336 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.232 -7.063 9.775 1.00 0.00 H new ATOM 442 N GLY A 47 -2.894 -9.639 7.705 1.00 0.00 N ATOM 443 CA GLY A 47 -3.205 -10.858 7.002 1.00 0.00 C ATOM 444 C GLY A 47 -4.690 -11.104 6.883 1.00 0.00 C ATOM 445 O GLY A 47 -5.128 -11.936 6.077 1.00 0.00 O ATOM 0 H GLY A 47 -2.861 -9.716 8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.767 -10.818 6.005 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.743 -11.698 7.520 1.00 0.00 H new ATOM 449 N SER A 48 -5.467 -10.397 7.663 1.00 0.00 N ATOM 450 CA SER A 48 -6.895 -10.556 7.634 1.00 0.00 C ATOM 451 C SER A 48 -7.626 -9.315 8.124 1.00 0.00 C ATOM 452 O SER A 48 -7.378 -8.816 9.220 1.00 0.00 O ATOM 453 CB SER A 48 -7.287 -11.795 8.432 1.00 0.00 C ATOM 454 OG SER A 48 -6.566 -11.851 9.652 1.00 0.00 O ATOM 0 H SER A 48 -5.130 -9.702 8.329 1.00 0.00 H new ATOM 0 HA SER A 48 -7.202 -10.692 6.597 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.358 -11.779 8.636 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.088 -12.691 7.844 1.00 0.00 H new ATOM 0 HG SER A 48 -6.831 -12.651 10.152 1.00 0.00 H new ATOM 460 N LEU A 49 -8.479 -8.805 7.289 1.00 0.00 N ATOM 461 CA LEU A 49 -9.293 -7.670 7.610 1.00 0.00 C ATOM 462 C LEU A 49 -10.733 -8.086 7.647 1.00 0.00 C ATOM 463 O LEU A 49 -11.253 -8.625 6.672 1.00 0.00 O ATOM 464 CB LEU A 49 -9.084 -6.599 6.549 1.00 0.00 C ATOM 465 CG LEU A 49 -7.705 -5.966 6.552 1.00 0.00 C ATOM 466 CD1 LEU A 49 -7.502 -5.127 5.320 1.00 0.00 C ATOM 467 CD2 LEU A 49 -7.534 -5.121 7.797 1.00 0.00 C ATOM 0 H LEU A 49 -8.632 -9.171 6.349 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.015 -7.272 8.586 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.265 -7.038 5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.829 -5.816 6.691 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.956 -6.758 6.551 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.507 -4.682 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.600 -5.753 4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.252 -4.337 5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.543 -4.668 7.796 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.291 -4.337 7.812 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.645 -5.749 8.681 1.00 0.00 H new ATOM 479 N SER A 50 -11.356 -7.939 8.782 1.00 0.00 N ATOM 480 CA SER A 50 -12.756 -8.215 8.894 1.00 0.00 C ATOM 481 C SER A 50 -13.481 -7.075 9.626 1.00 0.00 C ATOM 482 O SER A 50 -13.275 -6.865 10.824 1.00 0.00 O ATOM 483 CB SER A 50 -12.991 -9.565 9.535 1.00 0.00 C ATOM 484 OG SER A 50 -12.261 -10.561 8.820 1.00 0.00 O ATOM 0 H SER A 50 -10.912 -7.628 9.646 1.00 0.00 H new ATOM 0 HA SER A 50 -13.184 -8.267 7.893 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.675 -9.545 10.578 1.00 0.00 H new ATOM 0 HB3 SER A 50 -14.055 -9.803 9.529 1.00 0.00 H new ATOM 0 HG SER A 50 -12.410 -11.436 9.234 1.00 0.00 H new ATOM 490 N PRO A 51 -14.311 -6.310 8.918 1.00 0.00 N ATOM 491 CA PRO A 51 -14.564 -6.509 7.498 1.00 0.00 C ATOM 492 C PRO A 51 -13.404 -5.965 6.653 1.00 0.00 C ATOM 493 O PRO A 51 -12.564 -5.203 7.164 1.00 0.00 O ATOM 494 CB PRO A 51 -15.840 -5.686 7.233 1.00 0.00 C ATOM 495 CG PRO A 51 -16.272 -5.152 8.563 1.00 0.00 C ATOM 496 CD PRO A 51 -15.056 -5.165 9.433 1.00 0.00 C ATOM 0 HA PRO A 51 -14.669 -7.562 7.238 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.642 -4.875 6.533 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.619 -6.306 6.790 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -16.670 -4.142 8.466 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.063 -5.767 8.991 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -14.487 -4.239 9.349 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -15.311 -5.287 10.486 1.00 0.00 H new ATOM 504 N PRO A 52 -13.300 -6.387 5.388 1.00 0.00 N ATOM 505 CA PRO A 52 -12.269 -5.892 4.476 1.00 0.00 C ATOM 506 C PRO A 52 -12.387 -4.376 4.285 1.00 0.00 C ATOM 507 O PRO A 52 -13.466 -3.783 4.500 1.00 0.00 O ATOM 508 CB PRO A 52 -12.554 -6.631 3.154 1.00 0.00 C ATOM 509 CG PRO A 52 -13.943 -7.137 3.280 1.00 0.00 C ATOM 510 CD PRO A 52 -14.166 -7.389 4.743 1.00 0.00 C ATOM 0 HA PRO A 52 -11.261 -6.071 4.850 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.455 -5.961 2.300 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.850 -7.449 3.001 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.659 -6.409 2.897 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.078 -8.052 2.702 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.212 -7.257 5.020 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.887 -8.404 5.025 1.00 0.00 H new ATOM 518 N TRP A 53 -11.330 -3.755 3.877 1.00 0.00 N ATOM 519 CA TRP A 53 -11.332 -2.322 3.719 1.00 0.00 C ATOM 520 C TRP A 53 -11.763 -1.962 2.349 1.00 0.00 C ATOM 521 O TRP A 53 -11.376 -2.607 1.388 1.00 0.00 O ATOM 522 CB TRP A 53 -9.962 -1.709 3.991 1.00 0.00 C ATOM 523 CG TRP A 53 -9.538 -1.762 5.427 1.00 0.00 C ATOM 524 CD1 TRP A 53 -10.341 -1.917 6.517 1.00 0.00 C ATOM 525 CD2 TRP A 53 -8.210 -1.633 5.928 1.00 0.00 C ATOM 526 NE1 TRP A 53 -9.587 -1.909 7.659 1.00 0.00 N ATOM 527 CE2 TRP A 53 -8.279 -1.732 7.328 1.00 0.00 C ATOM 528 CE3 TRP A 53 -6.967 -1.450 5.333 1.00 0.00 C ATOM 529 CZ2 TRP A 53 -7.153 -1.655 8.137 1.00 0.00 C ATOM 530 CZ3 TRP A 53 -5.854 -1.377 6.141 1.00 0.00 C ATOM 531 CH2 TRP A 53 -5.952 -1.479 7.526 1.00 0.00 C ATOM 0 H TRP A 53 -10.448 -4.211 3.644 1.00 0.00 H new ATOM 0 HA TRP A 53 -12.032 -1.921 4.452 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.218 -2.227 3.385 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -9.971 -0.669 3.665 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.415 -2.030 6.484 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -9.948 -2.018 8.607 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.876 -1.367 4.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.229 -1.732 9.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.883 -1.237 5.690 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.056 -1.417 8.126 1.00 0.00 H new ATOM 542 N THR A 54 -12.557 -0.949 2.260 1.00 0.00 N ATOM 543 CA THR A 54 -13.046 -0.474 1.006 1.00 0.00 C ATOM 544 C THR A 54 -12.612 0.974 0.756 1.00 0.00 C ATOM 545 O THR A 54 -13.358 1.911 1.051 1.00 0.00 O ATOM 546 CB THR A 54 -14.577 -0.592 0.942 1.00 0.00 C ATOM 547 OG1 THR A 54 -15.156 -0.087 2.169 1.00 0.00 O ATOM 548 CG2 THR A 54 -14.986 -2.036 0.741 1.00 0.00 C ATOM 0 H THR A 54 -12.890 -0.419 3.065 1.00 0.00 H new ATOM 0 HA THR A 54 -12.615 -1.097 0.222 1.00 0.00 H new ATOM 0 HB THR A 54 -14.940 -0.004 0.099 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.811 0.813 2.347 1.00 0.00 H new ATOM 0 HG21 THR A 54 -16.073 -2.104 0.698 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.562 -2.408 -0.192 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.618 -2.637 1.572 1.00 0.00 H new ATOM 556 N PRO A 55 -11.365 1.193 0.336 1.00 0.00 N ATOM 557 CA PRO A 55 -10.895 2.515 0.012 1.00 0.00 C ATOM 558 C PRO A 55 -11.356 2.970 -1.371 1.00 0.00 C ATOM 559 O PRO A 55 -11.705 2.155 -2.242 1.00 0.00 O ATOM 560 CB PRO A 55 -9.383 2.361 0.039 1.00 0.00 C ATOM 561 CG PRO A 55 -9.155 0.962 -0.380 1.00 0.00 C ATOM 562 CD PRO A 55 -10.291 0.183 0.202 1.00 0.00 C ATOM 0 HA PRO A 55 -11.277 3.267 0.703 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.899 3.064 -0.639 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.981 2.549 1.034 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.135 0.876 -1.466 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.197 0.593 -0.013 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.590 -0.638 -0.449 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.027 -0.254 1.165 1.00 0.00 H new ATOM 570 N GLY A 56 -11.378 4.252 -1.559 1.00 0.00 N ATOM 571 CA GLY A 56 -11.717 4.805 -2.831 1.00 0.00 C ATOM 572 C GLY A 56 -10.473 5.056 -3.628 1.00 0.00 C ATOM 573 O GLY A 56 -10.487 5.006 -4.847 1.00 0.00 O ATOM 0 H GLY A 56 -11.163 4.941 -0.839 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.373 4.122 -3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.267 5.736 -2.697 1.00 0.00 H new ATOM 577 N SER A 57 -9.386 5.296 -2.940 1.00 0.00 N ATOM 578 CA SER A 57 -8.119 5.530 -3.564 1.00 0.00 C ATOM 579 C SER A 57 -7.005 5.133 -2.610 1.00 0.00 C ATOM 580 O SER A 57 -7.191 5.142 -1.389 1.00 0.00 O ATOM 581 CB SER A 57 -7.995 6.998 -4.034 1.00 0.00 C ATOM 582 OG SER A 57 -8.275 7.918 -2.993 1.00 0.00 O ATOM 0 H SER A 57 -9.361 5.334 -1.921 1.00 0.00 H new ATOM 0 HA SER A 57 -8.035 4.913 -4.458 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.987 7.173 -4.411 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.680 7.171 -4.864 1.00 0.00 H new ATOM 0 HG SER A 57 -9.240 8.082 -2.953 1.00 0.00 H new ATOM 588 N VAL A 58 -5.887 4.724 -3.151 1.00 0.00 N ATOM 589 CA VAL A 58 -4.751 4.321 -2.352 1.00 0.00 C ATOM 590 C VAL A 58 -3.593 5.179 -2.776 1.00 0.00 C ATOM 591 O VAL A 58 -3.461 5.472 -3.962 1.00 0.00 O ATOM 592 CB VAL A 58 -4.383 2.825 -2.590 1.00 0.00 C ATOM 593 CG1 VAL A 58 -3.253 2.387 -1.673 1.00 0.00 C ATOM 594 CG2 VAL A 58 -5.597 1.929 -2.407 1.00 0.00 C ATOM 0 H VAL A 58 -5.735 4.660 -4.158 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.988 4.439 -1.295 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.041 2.729 -3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.017 1.339 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.371 2.998 -1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.559 2.509 -0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.312 0.891 -2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.979 2.037 -1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.371 2.215 -3.119 1.00 0.00 H new ATOM 604 N CYS A 59 -2.761 5.569 -1.859 1.00 0.00 N ATOM 605 CA CYS A 59 -1.673 6.438 -2.182 1.00 0.00 C ATOM 606 C CYS A 59 -0.466 6.039 -1.362 1.00 0.00 C ATOM 607 O CYS A 59 -0.591 5.708 -0.167 1.00 0.00 O ATOM 608 CB CYS A 59 -2.105 7.876 -1.882 1.00 0.00 C ATOM 609 SG CYS A 59 -1.053 9.224 -2.539 1.00 0.00 S ATOM 0 H CYS A 59 -2.816 5.297 -0.877 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.405 6.364 -3.236 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.113 8.014 -2.273 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.164 7.991 -0.800 1.00 0.00 H new ATOM 614 N VAL A 60 0.686 6.029 -1.996 1.00 0.00 N ATOM 615 CA VAL A 60 1.918 5.665 -1.335 1.00 0.00 C ATOM 616 C VAL A 60 2.904 6.831 -1.438 1.00 0.00 C ATOM 617 O VAL A 60 3.266 7.256 -2.546 1.00 0.00 O ATOM 618 CB VAL A 60 2.568 4.381 -1.937 1.00 0.00 C ATOM 619 CG1 VAL A 60 3.813 3.985 -1.149 1.00 0.00 C ATOM 620 CG2 VAL A 60 1.580 3.226 -1.963 1.00 0.00 C ATOM 0 H VAL A 60 0.794 6.272 -2.981 1.00 0.00 H new ATOM 0 HA VAL A 60 1.680 5.447 -0.294 1.00 0.00 H new ATOM 0 HB VAL A 60 2.858 4.608 -2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.250 3.087 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.540 4.797 -1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.540 3.788 -0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.061 2.345 -2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.251 3.006 -0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.718 3.498 -2.573 1.00 0.00 H new ATOM 630 N PRO A 61 3.322 7.375 -0.293 1.00 0.00 N ATOM 631 CA PRO A 61 4.239 8.512 -0.239 1.00 0.00 C ATOM 632 C PRO A 61 5.630 8.189 -0.788 1.00 0.00 C ATOM 633 O PRO A 61 6.193 7.117 -0.514 1.00 0.00 O ATOM 634 CB PRO A 61 4.330 8.837 1.250 1.00 0.00 C ATOM 635 CG PRO A 61 3.880 7.608 1.948 1.00 0.00 C ATOM 636 CD PRO A 61 2.925 6.920 1.040 1.00 0.00 C ATOM 0 HA PRO A 61 3.877 9.336 -0.854 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.349 9.099 1.534 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.699 9.688 1.506 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.728 6.962 2.178 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.402 7.855 2.896 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.997 5.836 1.131 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.893 7.191 1.265 1.00 0.00 H new ATOM 644 N PHE A 62 6.176 9.105 -1.557 1.00 0.00 N ATOM 645 CA PHE A 62 7.496 8.939 -2.113 1.00 0.00 C ATOM 646 C PHE A 62 8.546 9.079 -1.025 1.00 0.00 C ATOM 647 O PHE A 62 8.607 10.094 -0.329 1.00 0.00 O ATOM 648 CB PHE A 62 7.755 9.962 -3.235 1.00 0.00 C ATOM 649 CG PHE A 62 9.106 9.819 -3.895 1.00 0.00 C ATOM 650 CD1 PHE A 62 9.320 8.849 -4.860 1.00 0.00 C ATOM 651 CD2 PHE A 62 10.157 10.651 -3.547 1.00 0.00 C ATOM 652 CE1 PHE A 62 10.556 8.713 -5.463 1.00 0.00 C ATOM 653 CE2 PHE A 62 11.391 10.520 -4.147 1.00 0.00 C ATOM 654 CZ PHE A 62 11.591 9.549 -5.104 1.00 0.00 C ATOM 0 H PHE A 62 5.719 9.980 -1.812 1.00 0.00 H new ATOM 0 HA PHE A 62 7.560 7.939 -2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.979 9.859 -3.993 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.667 10.968 -2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.512 8.191 -5.145 1.00 0.00 H new ATOM 0 HD2 PHE A 62 10.008 11.412 -2.796 1.00 0.00 H new ATOM 0 HE1 PHE A 62 10.711 7.953 -6.214 1.00 0.00 H new ATOM 0 HE2 PHE A 62 12.201 11.178 -3.867 1.00 0.00 H new ATOM 0 HZ PHE A 62 12.558 9.443 -5.572 1.00 0.00 H new ATOM 664 N VAL A 63 9.340 8.063 -0.849 1.00 0.00 N ATOM 665 CA VAL A 63 10.409 8.131 0.103 1.00 0.00 C ATOM 666 C VAL A 63 11.680 8.543 -0.618 1.00 0.00 C ATOM 667 O VAL A 63 12.175 7.829 -1.497 1.00 0.00 O ATOM 668 CB VAL A 63 10.595 6.781 0.857 1.00 0.00 C ATOM 669 CG1 VAL A 63 11.769 6.845 1.813 1.00 0.00 C ATOM 670 CG2 VAL A 63 9.323 6.442 1.620 1.00 0.00 C ATOM 0 H VAL A 63 9.267 7.179 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 63 10.165 8.875 0.861 1.00 0.00 H new ATOM 0 HB VAL A 63 10.800 6.003 0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.874 5.888 2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.681 7.060 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.598 7.632 2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.456 5.497 2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.109 7.232 2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.492 6.354 0.921 1.00 0.00 H new ATOM 680 N ASN A 64 12.171 9.702 -0.270 1.00 0.00 N ATOM 681 CA ASN A 64 13.364 10.264 -0.874 1.00 0.00 C ATOM 682 C ASN A 64 14.515 10.085 0.093 1.00 0.00 C ATOM 683 O ASN A 64 14.983 11.035 0.728 1.00 0.00 O ATOM 684 CB ASN A 64 13.141 11.753 -1.171 1.00 0.00 C ATOM 685 CG ASN A 64 14.300 12.412 -1.882 1.00 0.00 C ATOM 686 OD1 ASN A 64 14.996 11.787 -2.680 1.00 0.00 O ATOM 687 ND2 ASN A 64 14.519 13.670 -1.594 1.00 0.00 N ATOM 0 H ASN A 64 11.754 10.294 0.448 1.00 0.00 H new ATOM 0 HA ASN A 64 13.590 9.758 -1.813 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.244 11.862 -1.780 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.956 12.277 -0.234 1.00 0.00 H new ATOM 0 HD21 ASN A 64 15.291 14.168 -2.038 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.918 14.152 -0.926 1.00 0.00 H new ATOM 694 N ASP A 65 14.921 8.868 0.250 1.00 0.00 N ATOM 695 CA ASP A 65 15.898 8.513 1.250 1.00 0.00 C ATOM 696 C ASP A 65 17.059 7.777 0.709 1.00 0.00 C ATOM 697 O ASP A 65 16.936 7.000 -0.234 1.00 0.00 O ATOM 698 CB ASP A 65 15.300 7.739 2.424 1.00 0.00 C ATOM 699 CG ASP A 65 14.744 8.633 3.497 1.00 0.00 C ATOM 700 OD1 ASP A 65 15.464 8.927 4.451 1.00 0.00 O ATOM 701 OD2 ASP A 65 13.585 9.065 3.408 1.00 0.00 O ATOM 0 H ASP A 65 14.589 8.082 -0.309 1.00 0.00 H new ATOM 0 HA ASP A 65 16.256 9.474 1.619 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.508 7.087 2.056 1.00 0.00 H new ATOM 0 HB3 ASP A 65 16.067 7.096 2.856 1.00 0.00 H new ATOM 706 N THR A 66 18.199 8.046 1.305 1.00 0.00 N ATOM 707 CA THR A 66 19.453 7.381 1.018 1.00 0.00 C ATOM 708 C THR A 66 19.309 5.871 1.261 1.00 0.00 C ATOM 709 O THR A 66 20.039 5.055 0.683 1.00 0.00 O ATOM 710 CB THR A 66 20.475 7.878 2.028 1.00 0.00 C ATOM 711 OG1 THR A 66 20.265 9.286 2.263 1.00 0.00 O ATOM 712 CG2 THR A 66 21.887 7.655 1.522 1.00 0.00 C ATOM 0 H THR A 66 18.283 8.759 2.029 1.00 0.00 H new ATOM 0 HA THR A 66 19.744 7.580 -0.014 1.00 0.00 H new ATOM 0 HB THR A 66 20.349 7.320 2.956 1.00 0.00 H new ATOM 0 HG1 THR A 66 19.779 9.408 3.105 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.600 8.019 2.262 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.049 6.590 1.354 1.00 0.00 H new ATOM 0 HG23 THR A 66 22.028 8.196 0.586 1.00 0.00 H new ATOM 720 N LYS A 67 18.354 5.541 2.125 1.00 0.00 N ATOM 721 CA LYS A 67 18.077 4.203 2.552 1.00 0.00 C ATOM 722 C LYS A 67 17.866 3.277 1.376 1.00 0.00 C ATOM 723 O LYS A 67 17.155 3.617 0.422 1.00 0.00 O ATOM 724 CB LYS A 67 16.898 4.164 3.525 1.00 0.00 C ATOM 725 CG LYS A 67 17.271 4.642 4.923 1.00 0.00 C ATOM 726 CD LYS A 67 17.575 6.122 4.981 1.00 0.00 C ATOM 727 CE LYS A 67 18.085 6.513 6.337 1.00 0.00 C ATOM 728 NZ LYS A 67 19.358 5.840 6.691 1.00 0.00 N ATOM 0 H LYS A 67 17.739 6.233 2.553 1.00 0.00 H new ATOM 0 HA LYS A 67 18.953 3.841 3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.091 4.786 3.136 1.00 0.00 H new ATOM 0 HB3 LYS A 67 16.515 3.145 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.453 4.418 5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.140 4.084 5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.316 6.375 4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.675 6.691 4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.230 7.593 6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.331 6.271 7.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.825 6.363 7.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.161 4.868 7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 19.981 5.816 5.859 1.00 0.00 H new ATOM 742 N ARG A 68 18.492 2.128 1.452 1.00 0.00 N ATOM 743 CA ARG A 68 18.545 1.171 0.362 1.00 0.00 C ATOM 744 C ARG A 68 17.216 0.528 0.058 1.00 0.00 C ATOM 745 O ARG A 68 16.978 0.121 -1.071 1.00 0.00 O ATOM 746 CB ARG A 68 19.577 0.113 0.653 1.00 0.00 C ATOM 747 CG ARG A 68 20.984 0.647 0.681 1.00 0.00 C ATOM 748 CD ARG A 68 21.947 -0.382 1.206 1.00 0.00 C ATOM 749 NE ARG A 68 21.899 -1.654 0.471 1.00 0.00 N ATOM 750 CZ ARG A 68 22.841 -2.601 0.527 1.00 0.00 C ATOM 751 NH1 ARG A 68 23.948 -2.406 1.247 1.00 0.00 N ATOM 752 NH2 ARG A 68 22.672 -3.745 -0.132 1.00 0.00 N ATOM 0 H ARG A 68 18.990 1.821 2.288 1.00 0.00 H new ATOM 0 HA ARG A 68 18.825 1.734 -0.528 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.352 -0.350 1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.508 -0.670 -0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 68 21.281 0.948 -0.324 1.00 0.00 H new ATOM 0 HG3 ARG A 68 21.025 1.539 1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 68 22.959 0.020 1.157 1.00 0.00 H new ATOM 0 HD3 ARG A 68 21.729 -0.570 2.257 1.00 0.00 H new ATOM 0 HE ARG A 68 21.089 -1.827 -0.124 1.00 0.00 H new ATOM 0 HH11 ARG A 68 24.077 -1.532 1.757 1.00 0.00 H new ATOM 0 HH12 ARG A 68 24.664 -3.131 1.287 1.00 0.00 H new ATOM 0 HH21 ARG A 68 21.825 -3.898 -0.679 1.00 0.00 H new ATOM 0 HH22 ARG A 68 23.390 -4.468 -0.090 1.00 0.00 H new ATOM 766 N GLU A 69 16.363 0.421 1.043 1.00 0.00 N ATOM 767 CA GLU A 69 15.075 -0.162 0.820 1.00 0.00 C ATOM 768 C GLU A 69 14.017 0.912 0.825 1.00 0.00 C ATOM 769 O GLU A 69 13.938 1.720 1.752 1.00 0.00 O ATOM 770 CB GLU A 69 14.688 -1.213 1.886 1.00 0.00 C ATOM 771 CG GLU A 69 15.599 -2.432 2.031 1.00 0.00 C ATOM 772 CD GLU A 69 16.864 -2.140 2.783 1.00 0.00 C ATOM 773 OE1 GLU A 69 17.948 -2.153 2.186 1.00 0.00 O ATOM 774 OE2 GLU A 69 16.786 -1.865 4.003 1.00 0.00 O ATOM 0 H GLU A 69 16.539 0.729 1.999 1.00 0.00 H new ATOM 0 HA GLU A 69 15.134 -0.663 -0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.639 -0.711 2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.683 -1.568 1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.055 -3.225 2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.852 -2.808 1.040 1.00 0.00 H new ATOM 781 N ARG A 70 13.225 0.935 -0.186 1.00 0.00 N ATOM 782 CA ARG A 70 12.079 1.784 -0.220 1.00 0.00 C ATOM 783 C ARG A 70 10.857 0.946 0.005 1.00 0.00 C ATOM 784 O ARG A 70 10.836 -0.218 -0.353 1.00 0.00 O ATOM 785 CB ARG A 70 11.962 2.608 -1.508 1.00 0.00 C ATOM 786 CG ARG A 70 12.723 3.929 -1.476 1.00 0.00 C ATOM 787 CD ARG A 70 14.214 3.733 -1.420 1.00 0.00 C ATOM 788 NE ARG A 70 14.708 3.121 -2.659 1.00 0.00 N ATOM 789 CZ ARG A 70 15.975 3.102 -3.082 1.00 0.00 C ATOM 790 NH1 ARG A 70 16.973 3.509 -2.283 1.00 0.00 N ATOM 791 NH2 ARG A 70 16.241 2.623 -4.293 1.00 0.00 N ATOM 0 H ARG A 70 13.351 0.363 -1.021 1.00 0.00 H new ATOM 0 HA ARG A 70 12.185 2.521 0.576 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.328 2.011 -2.343 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.909 2.813 -1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.469 4.512 -2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.403 4.508 -0.610 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.705 4.693 -1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.470 3.101 -0.570 1.00 0.00 H new ATOM 0 HE ARG A 70 14.017 2.666 -3.255 1.00 0.00 H new ATOM 0 HH11 ARG A 70 16.769 3.838 -1.339 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.936 3.489 -2.619 1.00 0.00 H new ATOM 0 HH21 ARG A 70 15.484 2.278 -4.883 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.202 2.601 -4.633 1.00 0.00 H new ATOM 805 N PRO A 71 9.852 1.487 0.644 1.00 0.00 N ATOM 806 CA PRO A 71 8.653 0.735 0.956 1.00 0.00 C ATOM 807 C PRO A 71 7.728 0.571 -0.260 1.00 0.00 C ATOM 808 O PRO A 71 7.492 1.519 -1.022 1.00 0.00 O ATOM 809 CB PRO A 71 8.015 1.579 2.051 1.00 0.00 C ATOM 810 CG PRO A 71 8.396 2.974 1.707 1.00 0.00 C ATOM 811 CD PRO A 71 9.780 2.879 1.120 1.00 0.00 C ATOM 0 HA PRO A 71 8.859 -0.291 1.261 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.932 1.455 2.069 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.385 1.297 3.037 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.696 3.408 0.993 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.387 3.613 2.590 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.921 3.590 0.306 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.548 3.090 1.864 1.00 0.00 H new ATOM 819 N TYR A 72 7.237 -0.628 -0.438 1.00 0.00 N ATOM 820 CA TYR A 72 6.349 -0.953 -1.525 1.00 0.00 C ATOM 821 C TYR A 72 5.148 -1.659 -0.900 1.00 0.00 C ATOM 822 O TYR A 72 5.314 -2.435 0.044 1.00 0.00 O ATOM 823 CB TYR A 72 7.076 -1.879 -2.522 1.00 0.00 C ATOM 824 CG TYR A 72 6.424 -1.975 -3.886 1.00 0.00 C ATOM 825 CD1 TYR A 72 5.307 -2.764 -4.101 1.00 0.00 C ATOM 826 CD2 TYR A 72 6.932 -1.262 -4.959 1.00 0.00 C ATOM 827 CE1 TYR A 72 4.712 -2.835 -5.344 1.00 0.00 C ATOM 828 CE2 TYR A 72 6.347 -1.331 -6.206 1.00 0.00 C ATOM 829 CZ TYR A 72 5.231 -2.119 -6.394 1.00 0.00 C ATOM 830 OH TYR A 72 4.618 -2.182 -7.642 1.00 0.00 O ATOM 0 H TYR A 72 7.445 -1.416 0.175 1.00 0.00 H new ATOM 0 HA TYR A 72 6.030 -0.066 -2.073 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.099 -1.524 -2.647 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.136 -2.879 -2.092 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.894 -3.334 -3.282 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.803 -0.640 -4.817 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.839 -3.453 -5.491 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.761 -0.771 -7.031 1.00 0.00 H new ATOM 0 HH TYR A 72 3.667 -1.964 -7.551 1.00 0.00 H new ATOM 840 N TRP A 73 3.963 -1.401 -1.378 1.00 0.00 N ATOM 841 CA TRP A 73 2.793 -1.937 -0.743 1.00 0.00 C ATOM 842 C TRP A 73 1.947 -2.770 -1.682 1.00 0.00 C ATOM 843 O TRP A 73 1.668 -2.366 -2.816 1.00 0.00 O ATOM 844 CB TRP A 73 1.981 -0.801 -0.130 1.00 0.00 C ATOM 845 CG TRP A 73 2.675 -0.128 1.019 1.00 0.00 C ATOM 846 CD1 TRP A 73 3.567 0.906 0.969 1.00 0.00 C ATOM 847 CD2 TRP A 73 2.517 -0.451 2.392 1.00 0.00 C ATOM 848 NE1 TRP A 73 3.964 1.242 2.242 1.00 0.00 N ATOM 849 CE2 TRP A 73 3.326 0.424 3.132 1.00 0.00 C ATOM 850 CE3 TRP A 73 1.755 -1.394 3.062 1.00 0.00 C ATOM 851 CZ2 TRP A 73 3.389 0.377 4.521 1.00 0.00 C ATOM 852 CZ3 TRP A 73 1.807 -1.442 4.431 1.00 0.00 C ATOM 853 CH2 TRP A 73 2.619 -0.560 5.152 1.00 0.00 C ATOM 0 H TRP A 73 3.782 -0.826 -2.201 1.00 0.00 H new ATOM 0 HA TRP A 73 3.122 -2.614 0.045 1.00 0.00 H new ATOM 0 HB2 TRP A 73 1.767 -0.060 -0.900 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.023 -1.192 0.212 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.909 1.387 0.065 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.626 1.980 2.482 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.129 -2.082 2.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.020 1.053 5.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.212 -2.171 4.961 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.638 -0.621 6.230 1.00 0.00 H new ATOM 864 N TYR A 74 1.570 -3.933 -1.216 1.00 0.00 N ATOM 865 CA TYR A 74 0.703 -4.831 -1.936 1.00 0.00 C ATOM 866 C TYR A 74 -0.605 -4.983 -1.207 1.00 0.00 C ATOM 867 O TYR A 74 -0.636 -5.068 0.022 1.00 0.00 O ATOM 868 CB TYR A 74 1.353 -6.195 -2.153 1.00 0.00 C ATOM 869 CG TYR A 74 2.269 -6.266 -3.356 1.00 0.00 C ATOM 870 CD1 TYR A 74 1.766 -6.575 -4.612 1.00 0.00 C ATOM 871 CD2 TYR A 74 3.618 -6.036 -3.243 1.00 0.00 C ATOM 872 CE1 TYR A 74 2.588 -6.649 -5.712 1.00 0.00 C ATOM 873 CE2 TYR A 74 4.450 -6.108 -4.337 1.00 0.00 C ATOM 874 CZ TYR A 74 3.930 -6.414 -5.569 1.00 0.00 C ATOM 875 OH TYR A 74 4.759 -6.484 -6.660 1.00 0.00 O ATOM 0 H TYR A 74 1.863 -4.290 -0.307 1.00 0.00 H new ATOM 0 HA TYR A 74 0.518 -4.397 -2.919 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.922 -6.459 -1.262 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.569 -6.944 -2.264 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.708 -6.761 -4.728 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.034 -5.794 -2.276 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.178 -6.891 -6.682 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.508 -5.924 -4.226 1.00 0.00 H new ATOM 0 HH TYR A 74 5.679 -6.289 -6.385 1.00 0.00 H new ATOM 885 N LEU A 75 -1.665 -5.077 -1.955 1.00 0.00 N ATOM 886 CA LEU A 75 -2.996 -5.128 -1.410 1.00 0.00 C ATOM 887 C LEU A 75 -3.643 -6.361 -1.964 1.00 0.00 C ATOM 888 O LEU A 75 -3.403 -6.717 -3.126 1.00 0.00 O ATOM 889 CB LEU A 75 -3.793 -3.906 -1.909 1.00 0.00 C ATOM 890 CG LEU A 75 -3.081 -2.544 -1.842 1.00 0.00 C ATOM 891 CD1 LEU A 75 -3.958 -1.451 -2.398 1.00 0.00 C ATOM 892 CD2 LEU A 75 -2.658 -2.205 -0.435 1.00 0.00 C ATOM 0 H LEU A 75 -1.632 -5.121 -2.974 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.972 -5.133 -0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.083 -4.088 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.712 -3.839 -1.327 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.183 -2.620 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.433 -0.498 -2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.197 -1.670 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.879 -1.393 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.159 -1.236 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.536 -2.165 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.973 -2.969 -0.067 1.00 0.00 H new ATOM 904 N PHE A 76 -4.427 -7.022 -1.153 1.00 0.00 N ATOM 905 CA PHE A 76 -5.043 -8.265 -1.530 1.00 0.00 C ATOM 906 C PHE A 76 -6.508 -8.253 -1.237 1.00 0.00 C ATOM 907 O PHE A 76 -6.953 -7.762 -0.203 1.00 0.00 O ATOM 908 CB PHE A 76 -4.376 -9.441 -0.816 1.00 0.00 C ATOM 909 CG PHE A 76 -2.936 -9.592 -1.164 1.00 0.00 C ATOM 910 CD1 PHE A 76 -1.967 -8.880 -0.478 1.00 0.00 C ATOM 911 CD2 PHE A 76 -2.550 -10.419 -2.196 1.00 0.00 C ATOM 912 CE1 PHE A 76 -0.648 -8.988 -0.825 1.00 0.00 C ATOM 913 CE2 PHE A 76 -1.233 -10.538 -2.535 1.00 0.00 C ATOM 914 CZ PHE A 76 -0.281 -9.818 -1.854 1.00 0.00 C ATOM 0 H PHE A 76 -4.656 -6.711 -0.209 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.908 -8.385 -2.605 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.472 -9.306 0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.904 -10.360 -1.070 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.255 -8.234 0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.296 -10.978 -2.742 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.101 -8.422 -0.291 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.939 -11.198 -3.338 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.760 -9.906 -2.130 1.00 0.00 H new ATOM 924 N ASP A 77 -7.237 -8.805 -2.144 1.00 0.00 N ATOM 925 CA ASP A 77 -8.696 -8.890 -2.086 1.00 0.00 C ATOM 926 C ASP A 77 -9.169 -10.039 -1.232 1.00 0.00 C ATOM 927 O ASP A 77 -10.345 -10.105 -0.861 1.00 0.00 O ATOM 928 CB ASP A 77 -9.223 -8.934 -3.516 1.00 0.00 C ATOM 929 CG ASP A 77 -10.619 -9.481 -3.736 1.00 0.00 C ATOM 930 OD1 ASP A 77 -11.597 -8.700 -3.765 1.00 0.00 O ATOM 931 OD2 ASP A 77 -10.746 -10.692 -3.968 1.00 0.00 O ATOM 0 H ASP A 77 -6.843 -9.230 -2.983 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.103 -8.008 -1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.193 -7.920 -3.916 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.531 -9.531 -4.110 1.00 0.00 H new ATOM 936 N ASN A 78 -8.274 -10.907 -0.848 1.00 0.00 N ATOM 937 CA ASN A 78 -8.646 -11.944 0.042 1.00 0.00 C ATOM 938 C ASN A 78 -7.596 -12.096 1.120 1.00 0.00 C ATOM 939 O ASN A 78 -6.443 -11.676 0.940 1.00 0.00 O ATOM 940 CB ASN A 78 -8.926 -13.250 -0.668 1.00 0.00 C ATOM 941 CG ASN A 78 -9.820 -14.092 0.185 1.00 0.00 C ATOM 942 OD1 ASN A 78 -9.379 -14.927 0.966 1.00 0.00 O ATOM 943 ND2 ASN A 78 -11.078 -13.819 0.101 1.00 0.00 N ATOM 0 H ASN A 78 -7.296 -10.909 -1.139 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.588 -11.661 0.512 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.397 -13.060 -1.632 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.993 -13.776 -0.868 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.746 -14.305 0.698 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.404 -13.117 -0.563 1.00 0.00 H new ATOM 950 N VAL A 79 -7.997 -12.656 2.247 1.00 0.00 N ATOM 951 CA VAL A 79 -7.135 -12.803 3.400 1.00 0.00 C ATOM 952 C VAL A 79 -5.987 -13.746 3.102 1.00 0.00 C ATOM 953 O VAL A 79 -6.044 -14.517 2.139 1.00 0.00 O ATOM 954 CB VAL A 79 -7.906 -13.303 4.649 1.00 0.00 C ATOM 955 CG1 VAL A 79 -9.057 -12.365 4.981 1.00 0.00 C ATOM 956 CG2 VAL A 79 -8.399 -14.731 4.457 1.00 0.00 C ATOM 0 H VAL A 79 -8.938 -13.024 2.386 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.741 -11.811 3.621 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.216 -13.304 5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.585 -12.734 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.667 -11.368 5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.745 -12.320 4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.936 -15.054 5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.067 -14.773 3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.548 -15.390 4.288 1.00 0.00 H new ATOM 966 N ASN A 80 -4.947 -13.670 3.914 1.00 0.00 N ATOM 967 CA ASN A 80 -3.752 -14.514 3.764 1.00 0.00 C ATOM 968 C ASN A 80 -3.072 -14.270 2.439 1.00 0.00 C ATOM 969 O ASN A 80 -2.404 -15.147 1.895 1.00 0.00 O ATOM 970 CB ASN A 80 -4.089 -16.007 3.938 1.00 0.00 C ATOM 971 CG ASN A 80 -4.262 -16.404 5.381 1.00 0.00 C ATOM 972 OD1 ASN A 80 -3.302 -16.790 6.047 1.00 0.00 O ATOM 973 ND2 ASN A 80 -5.467 -16.342 5.871 1.00 0.00 N ATOM 0 H ASN A 80 -4.898 -13.023 4.701 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.058 -14.235 4.557 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.004 -16.234 3.392 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.295 -16.608 3.494 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.639 -16.619 6.837 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.238 -16.017 5.288 1.00 0.00 H new ATOM 980 N TYR A 81 -3.200 -13.037 1.963 1.00 0.00 N ATOM 981 CA TYR A 81 -2.570 -12.558 0.733 1.00 0.00 C ATOM 982 C TYR A 81 -2.983 -13.408 -0.472 1.00 0.00 C ATOM 983 O TYR A 81 -2.162 -13.721 -1.352 1.00 0.00 O ATOM 984 CB TYR A 81 -1.035 -12.525 0.900 1.00 0.00 C ATOM 985 CG TYR A 81 -0.616 -11.916 2.215 1.00 0.00 C ATOM 986 CD1 TYR A 81 -1.061 -10.672 2.575 1.00 0.00 C ATOM 987 CD2 TYR A 81 0.185 -12.612 3.113 1.00 0.00 C ATOM 988 CE1 TYR A 81 -0.743 -10.121 3.780 1.00 0.00 C ATOM 989 CE2 TYR A 81 0.524 -12.061 4.330 1.00 0.00 C ATOM 990 CZ TYR A 81 0.055 -10.811 4.663 1.00 0.00 C ATOM 991 OH TYR A 81 0.364 -10.263 5.888 1.00 0.00 O ATOM 0 H TYR A 81 -3.758 -12.323 2.431 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.916 -11.542 0.542 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.642 -13.539 0.830 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.595 -11.956 0.082 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.679 -10.114 1.887 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.546 -13.596 2.854 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.117 -9.142 4.042 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.153 -12.607 5.017 1.00 0.00 H new ATOM 0 HH TYR A 81 0.936 -10.882 6.388 1.00 0.00 H new ATOM 1001 N THR A 82 -4.247 -13.749 -0.530 1.00 0.00 N ATOM 1002 CA THR A 82 -4.762 -14.519 -1.629 1.00 0.00 C ATOM 1003 C THR A 82 -5.715 -13.662 -2.454 1.00 0.00 C ATOM 1004 O THR A 82 -5.991 -12.494 -2.098 1.00 0.00 O ATOM 1005 CB THR A 82 -5.478 -15.820 -1.151 1.00 0.00 C ATOM 1006 OG1 THR A 82 -6.564 -15.511 -0.262 1.00 0.00 O ATOM 1007 CG2 THR A 82 -4.507 -16.760 -0.452 1.00 0.00 C ATOM 0 H THR A 82 -4.940 -13.502 0.177 1.00 0.00 H new ATOM 0 HA THR A 82 -3.917 -14.826 -2.246 1.00 0.00 H new ATOM 0 HB THR A 82 -5.871 -16.316 -2.039 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.235 -14.957 0.477 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.036 -17.657 -0.131 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.709 -17.037 -1.141 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.079 -16.261 0.417 1.00 0.00 H new ATOM 1015 N GLY A 83 -6.203 -14.214 -3.532 1.00 0.00 N ATOM 1016 CA GLY A 83 -7.125 -13.519 -4.365 1.00 0.00 C ATOM 1017 C GLY A 83 -6.430 -12.567 -5.289 1.00 0.00 C ATOM 1018 O GLY A 83 -5.378 -12.880 -5.845 1.00 0.00 O ATOM 0 H GLY A 83 -5.969 -15.155 -3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.701 -14.237 -4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.834 -12.971 -3.745 1.00 0.00 H new ATOM 1022 N ARG A 84 -6.997 -11.406 -5.426 1.00 0.00 N ATOM 1023 CA ARG A 84 -6.476 -10.391 -6.316 1.00 0.00 C ATOM 1024 C ARG A 84 -5.363 -9.629 -5.633 1.00 0.00 C ATOM 1025 O ARG A 84 -5.388 -9.456 -4.404 1.00 0.00 O ATOM 1026 CB ARG A 84 -7.589 -9.451 -6.710 1.00 0.00 C ATOM 1027 CG ARG A 84 -8.735 -10.132 -7.405 1.00 0.00 C ATOM 1028 CD ARG A 84 -9.929 -9.216 -7.508 1.00 0.00 C ATOM 1029 NE ARG A 84 -11.034 -9.843 -8.215 1.00 0.00 N ATOM 1030 CZ ARG A 84 -12.267 -10.057 -7.707 1.00 0.00 C ATOM 1031 NH1 ARG A 84 -12.535 -9.837 -6.404 1.00 0.00 N ATOM 1032 NH2 ARG A 84 -13.211 -10.537 -8.493 1.00 0.00 N ATOM 0 H ARG A 84 -7.840 -11.127 -4.924 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.074 -10.864 -7.212 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.963 -8.950 -5.817 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.186 -8.678 -7.364 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.426 -10.445 -8.402 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.011 -11.034 -6.859 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.254 -8.929 -6.508 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.641 -8.300 -8.024 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.864 -10.146 -9.174 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.800 -9.502 -5.781 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.473 -10.005 -6.041 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.005 -10.742 -9.471 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.147 -10.704 -8.123 1.00 0.00 H new ATOM 1046 N ILE A 85 -4.427 -9.144 -6.417 1.00 0.00 N ATOM 1047 CA ILE A 85 -3.245 -8.490 -5.891 1.00 0.00 C ATOM 1048 C ILE A 85 -3.045 -7.117 -6.556 1.00 0.00 C ATOM 1049 O ILE A 85 -3.310 -6.946 -7.748 1.00 0.00 O ATOM 1050 CB ILE A 85 -1.977 -9.392 -6.113 1.00 0.00 C ATOM 1051 CG1 ILE A 85 -0.751 -8.803 -5.428 1.00 0.00 C ATOM 1052 CG2 ILE A 85 -1.683 -9.565 -7.598 1.00 0.00 C ATOM 1053 CD1 ILE A 85 0.483 -9.685 -5.528 1.00 0.00 C ATOM 0 H ILE A 85 -4.461 -9.190 -7.435 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.384 -8.338 -4.821 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.197 -10.365 -5.673 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.530 -7.831 -5.870 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.980 -8.631 -4.376 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.801 -10.193 -7.724 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.536 -10.036 -8.085 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.501 -8.589 -8.049 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.317 -9.203 -5.018 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.280 -10.649 -5.061 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.738 -9.837 -6.577 1.00 0.00 H new ATOM 1065 N THR A 86 -2.705 -6.140 -5.777 1.00 0.00 N ATOM 1066 CA THR A 86 -2.380 -4.820 -6.295 1.00 0.00 C ATOM 1067 C THR A 86 -1.082 -4.310 -5.671 1.00 0.00 C ATOM 1068 O THR A 86 -0.968 -4.275 -4.457 1.00 0.00 O ATOM 1069 CB THR A 86 -3.552 -3.823 -6.097 1.00 0.00 C ATOM 1070 OG1 THR A 86 -4.674 -4.264 -6.867 1.00 0.00 O ATOM 1071 CG2 THR A 86 -3.173 -2.423 -6.536 1.00 0.00 C ATOM 0 H THR A 86 -2.640 -6.220 -4.762 1.00 0.00 H new ATOM 0 HA THR A 86 -2.224 -4.903 -7.371 1.00 0.00 H new ATOM 0 HB THR A 86 -3.798 -3.793 -5.035 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.348 -4.652 -6.271 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.018 -1.752 -6.383 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.323 -2.075 -5.949 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.905 -2.433 -7.592 1.00 0.00 H new ATOM 1079 N GLY A 87 -0.113 -3.962 -6.484 1.00 0.00 N ATOM 1080 CA GLY A 87 1.146 -3.484 -5.963 1.00 0.00 C ATOM 1081 C GLY A 87 1.436 -2.044 -6.309 1.00 0.00 C ATOM 1082 O GLY A 87 1.687 -1.722 -7.472 1.00 0.00 O ATOM 0 H GLY A 87 -0.171 -4.000 -7.502 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.147 -3.596 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.950 -4.111 -6.348 1.00 0.00 H new ATOM 1086 N LEU A 88 1.459 -1.199 -5.311 1.00 0.00 N ATOM 1087 CA LEU A 88 1.716 0.227 -5.483 1.00 0.00 C ATOM 1088 C LEU A 88 3.096 0.597 -4.999 1.00 0.00 C ATOM 1089 O LEU A 88 3.603 0.021 -4.023 1.00 0.00 O ATOM 1090 CB LEU A 88 0.649 1.059 -4.756 1.00 0.00 C ATOM 1091 CG LEU A 88 -0.501 1.600 -5.613 1.00 0.00 C ATOM 1092 CD1 LEU A 88 -0.024 2.760 -6.462 1.00 0.00 C ATOM 1093 CD2 LEU A 88 -1.075 0.510 -6.500 1.00 0.00 C ATOM 0 H LEU A 88 1.299 -1.474 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 88 1.665 0.449 -6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.223 0.447 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.144 1.904 -4.277 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.287 1.949 -4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.851 3.134 -7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.343 3.557 -5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.780 2.425 -7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.889 0.919 -7.098 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.295 0.130 -7.160 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.453 -0.303 -5.880 1.00 0.00 H new ATOM 1105 N GLY A 89 3.699 1.551 -5.673 1.00 0.00 N ATOM 1106 CA GLY A 89 5.022 1.967 -5.339 1.00 0.00 C ATOM 1107 C GLY A 89 5.061 3.343 -4.742 1.00 0.00 C ATOM 1108 O GLY A 89 4.089 4.107 -4.841 1.00 0.00 O ATOM 0 H GLY A 89 3.282 2.050 -6.459 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.455 1.257 -4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.643 1.946 -6.235 1.00 0.00 H new ATOM 1112 N HIS A 90 6.181 3.660 -4.129 1.00 0.00 N ATOM 1113 CA HIS A 90 6.400 4.941 -3.481 1.00 0.00 C ATOM 1114 C HIS A 90 6.374 6.078 -4.496 1.00 0.00 C ATOM 1115 O HIS A 90 7.139 6.085 -5.459 1.00 0.00 O ATOM 1116 CB HIS A 90 7.728 4.940 -2.666 1.00 0.00 C ATOM 1117 CG HIS A 90 8.982 4.622 -3.462 1.00 0.00 C ATOM 1118 ND1 HIS A 90 9.866 5.573 -3.944 1.00 0.00 N ATOM 1119 CD2 HIS A 90 9.492 3.423 -3.839 1.00 0.00 C ATOM 1120 CE1 HIS A 90 10.854 4.934 -4.580 1.00 0.00 C ATOM 1121 NE2 HIS A 90 10.675 3.627 -4.544 1.00 0.00 N ATOM 0 H HIS A 90 6.979 3.028 -4.064 1.00 0.00 H new ATOM 0 HA HIS A 90 5.583 5.104 -2.778 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.851 5.919 -2.203 1.00 0.00 H new ATOM 0 HB3 HIS A 90 7.638 4.214 -1.858 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.779 6.583 -3.833 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.050 2.461 -3.626 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.689 5.423 -5.060 1.00 0.00 H new ATOM 1129 N GLY A 91 5.489 7.017 -4.284 1.00 0.00 N ATOM 1130 CA GLY A 91 5.379 8.134 -5.176 1.00 0.00 C ATOM 1131 C GLY A 91 4.380 7.874 -6.262 1.00 0.00 C ATOM 1132 O GLY A 91 4.401 8.522 -7.314 1.00 0.00 O ATOM 0 H GLY A 91 4.836 7.028 -3.501 1.00 0.00 H new ATOM 0 HA2 GLY A 91 5.085 9.021 -4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.353 8.345 -5.619 1.00 0.00 H new ATOM 1136 N THR A 92 3.548 6.889 -6.051 1.00 0.00 N ATOM 1137 CA THR A 92 2.485 6.594 -6.957 1.00 0.00 C ATOM 1138 C THR A 92 1.214 6.331 -6.147 1.00 0.00 C ATOM 1139 O THR A 92 1.277 5.805 -5.022 1.00 0.00 O ATOM 1140 CB THR A 92 2.830 5.352 -7.796 1.00 0.00 C ATOM 1141 OG1 THR A 92 4.154 5.509 -8.345 1.00 0.00 O ATOM 1142 CG2 THR A 92 1.843 5.181 -8.948 1.00 0.00 C ATOM 0 H THR A 92 3.594 6.270 -5.241 1.00 0.00 H new ATOM 0 HA THR A 92 2.334 7.437 -7.632 1.00 0.00 H new ATOM 0 HB THR A 92 2.778 4.474 -7.152 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.382 4.720 -8.880 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.108 4.296 -9.526 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.835 5.065 -8.549 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.880 6.060 -9.592 1.00 0.00 H new ATOM 1150 N CYS A 93 0.087 6.711 -6.691 1.00 0.00 N ATOM 1151 CA CYS A 93 -1.183 6.534 -6.040 1.00 0.00 C ATOM 1152 C CYS A 93 -2.228 6.206 -7.092 1.00 0.00 C ATOM 1153 O CYS A 93 -2.032 6.473 -8.278 1.00 0.00 O ATOM 1154 CB CYS A 93 -1.573 7.814 -5.287 1.00 0.00 C ATOM 1155 SG CYS A 93 -0.205 8.487 -4.232 1.00 0.00 S ATOM 0 H CYS A 93 0.026 7.156 -7.607 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.118 5.719 -5.319 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -1.875 8.574 -6.008 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.440 7.608 -4.659 1.00 0.00 H new ATOM 1160 N ILE A 94 -3.281 5.582 -6.678 1.00 0.00 N ATOM 1161 CA ILE A 94 -4.370 5.211 -7.547 1.00 0.00 C ATOM 1162 C ILE A 94 -5.435 6.292 -7.493 1.00 0.00 C ATOM 1163 O ILE A 94 -5.754 6.768 -6.411 1.00 0.00 O ATOM 1164 CB ILE A 94 -4.990 3.897 -7.073 1.00 0.00 C ATOM 1165 CG1 ILE A 94 -3.938 2.805 -6.989 1.00 0.00 C ATOM 1166 CG2 ILE A 94 -6.118 3.462 -8.004 1.00 0.00 C ATOM 1167 CD1 ILE A 94 -4.470 1.486 -6.465 1.00 0.00 C ATOM 0 H ILE A 94 -3.420 5.306 -5.706 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.993 5.094 -8.563 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.403 4.063 -6.078 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.511 2.647 -7.979 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.128 3.142 -6.343 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.544 2.525 -7.646 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.892 4.229 -8.021 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.725 3.321 -9.011 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.662 0.755 -6.433 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.871 1.628 -5.461 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.260 1.125 -7.123 1.00 0.00 H new ATOM 1179 N ASP A 95 -5.960 6.690 -8.630 1.00 0.00 N ATOM 1180 CA ASP A 95 -7.037 7.699 -8.671 1.00 0.00 C ATOM 1181 C ASP A 95 -8.326 7.118 -8.140 1.00 0.00 C ATOM 1182 O ASP A 95 -8.991 7.702 -7.279 1.00 0.00 O ATOM 1183 CB ASP A 95 -7.275 8.221 -10.096 1.00 0.00 C ATOM 1184 CG ASP A 95 -6.163 9.085 -10.625 1.00 0.00 C ATOM 1185 OD1 ASP A 95 -6.291 10.321 -10.604 1.00 0.00 O ATOM 1186 OD2 ASP A 95 -5.138 8.553 -11.088 1.00 0.00 O ATOM 0 H ASP A 95 -5.672 6.342 -9.544 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.718 8.532 -8.044 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.411 7.371 -10.765 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.204 8.791 -10.113 1.00 0.00 H new ATOM 1191 N ASP A 96 -8.649 5.940 -8.620 1.00 0.00 N ATOM 1192 CA ASP A 96 -9.866 5.262 -8.254 1.00 0.00 C ATOM 1193 C ASP A 96 -9.560 3.809 -7.998 1.00 0.00 C ATOM 1194 O ASP A 96 -9.405 3.028 -8.940 1.00 0.00 O ATOM 1195 CB ASP A 96 -10.912 5.321 -9.376 1.00 0.00 C ATOM 1196 CG ASP A 96 -11.317 6.697 -9.829 1.00 0.00 C ATOM 1197 OD1 ASP A 96 -10.595 7.301 -10.644 1.00 0.00 O ATOM 1198 OD2 ASP A 96 -12.383 7.166 -9.428 1.00 0.00 O ATOM 0 H ASP A 96 -8.069 5.423 -9.280 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.264 5.757 -7.368 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.524 4.777 -10.237 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.805 4.793 -9.041 1.00 0.00 H new ATOM 1203 N PHE A 97 -9.449 3.435 -6.744 1.00 0.00 N ATOM 1204 CA PHE A 97 -9.154 2.059 -6.367 1.00 0.00 C ATOM 1205 C PHE A 97 -10.280 1.130 -6.791 1.00 0.00 C ATOM 1206 O PHE A 97 -10.057 -0.009 -7.145 1.00 0.00 O ATOM 1207 CB PHE A 97 -8.858 1.929 -4.876 1.00 0.00 C ATOM 1208 CG PHE A 97 -8.476 0.537 -4.487 1.00 0.00 C ATOM 1209 CD1 PHE A 97 -7.308 -0.020 -4.966 1.00 0.00 C ATOM 1210 CD2 PHE A 97 -9.280 -0.213 -3.662 1.00 0.00 C ATOM 1211 CE1 PHE A 97 -6.945 -1.300 -4.633 1.00 0.00 C ATOM 1212 CE2 PHE A 97 -8.923 -1.497 -3.321 1.00 0.00 C ATOM 1213 CZ PHE A 97 -7.752 -2.040 -3.810 1.00 0.00 C ATOM 0 H PHE A 97 -9.559 4.070 -5.953 1.00 0.00 H new ATOM 0 HA PHE A 97 -8.250 1.760 -6.897 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.052 2.612 -4.608 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.736 2.234 -4.307 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.669 0.562 -5.614 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -10.198 0.208 -3.279 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.028 -1.722 -5.017 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.559 -2.080 -2.671 1.00 0.00 H new ATOM 0 HZ PHE A 97 -7.472 -3.048 -3.544 1.00 0.00 H new ATOM 1223 N THR A 98 -11.474 1.670 -6.829 1.00 0.00 N ATOM 1224 CA THR A 98 -12.662 0.935 -7.226 1.00 0.00 C ATOM 1225 C THR A 98 -12.547 0.460 -8.708 1.00 0.00 C ATOM 1226 O THR A 98 -13.220 -0.483 -9.131 1.00 0.00 O ATOM 1227 CB THR A 98 -13.932 1.833 -7.015 1.00 0.00 C ATOM 1228 OG1 THR A 98 -15.141 1.173 -7.429 1.00 0.00 O ATOM 1229 CG2 THR A 98 -13.788 3.174 -7.737 1.00 0.00 C ATOM 0 H THR A 98 -11.656 2.643 -6.583 1.00 0.00 H new ATOM 0 HA THR A 98 -12.757 0.046 -6.603 1.00 0.00 H new ATOM 0 HB THR A 98 -14.007 2.018 -5.943 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.906 1.767 -7.279 1.00 0.00 H new ATOM 0 HG21 THR A 98 -14.683 3.774 -7.572 1.00 0.00 H new ATOM 0 HG22 THR A 98 -12.919 3.705 -7.349 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.659 3.000 -8.805 1.00 0.00 H new ATOM 1237 N LYS A 99 -11.651 1.084 -9.464 1.00 0.00 N ATOM 1238 CA LYS A 99 -11.439 0.732 -10.852 1.00 0.00 C ATOM 1239 C LYS A 99 -10.282 -0.266 -10.980 1.00 0.00 C ATOM 1240 O LYS A 99 -10.065 -0.834 -12.042 1.00 0.00 O ATOM 1241 CB LYS A 99 -11.130 1.989 -11.666 1.00 0.00 C ATOM 1242 CG LYS A 99 -12.144 3.107 -11.494 1.00 0.00 C ATOM 1243 CD LYS A 99 -13.539 2.727 -11.923 1.00 0.00 C ATOM 1244 CE LYS A 99 -14.498 3.873 -11.648 1.00 0.00 C ATOM 1245 NZ LYS A 99 -15.853 3.604 -12.162 1.00 0.00 N ATOM 0 H LYS A 99 -11.057 1.843 -9.129 1.00 0.00 H new ATOM 0 HA LYS A 99 -12.347 0.268 -11.236 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.145 2.360 -11.381 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.077 1.721 -12.721 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.164 3.410 -10.447 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.819 3.973 -12.070 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.548 2.482 -12.985 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.863 1.835 -11.387 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -14.548 4.052 -10.574 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.113 4.784 -12.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -16.471 4.413 -11.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.812 3.459 -13.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -16.234 2.750 -11.707 1.00 0.00 H new ATOM 1259 N SER A 100 -9.570 -0.490 -9.881 1.00 0.00 N ATOM 1260 CA SER A 100 -8.392 -1.365 -9.836 1.00 0.00 C ATOM 1261 C SER A 100 -8.812 -2.845 -9.616 1.00 0.00 C ATOM 1262 O SER A 100 -8.062 -3.663 -9.046 1.00 0.00 O ATOM 1263 CB SER A 100 -7.442 -0.870 -8.712 1.00 0.00 C ATOM 1264 OG SER A 100 -6.212 -1.586 -8.680 1.00 0.00 O ATOM 0 H SER A 100 -9.794 -0.065 -8.981 1.00 0.00 H new ATOM 0 HA SER A 100 -7.866 -1.322 -10.790 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.237 0.191 -8.856 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.942 -0.970 -7.749 1.00 0.00 H new ATOM 0 HG SER A 100 -6.390 -2.546 -8.758 1.00 0.00 H new ATOM 1270 N GLY A 101 -9.994 -3.180 -10.076 1.00 0.00 N ATOM 1271 CA GLY A 101 -10.473 -4.525 -9.971 1.00 0.00 C ATOM 1272 C GLY A 101 -11.263 -4.744 -8.719 1.00 0.00 C ATOM 1273 O GLY A 101 -12.482 -4.893 -8.762 1.00 0.00 O ATOM 0 H GLY A 101 -10.639 -2.532 -10.527 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.094 -4.757 -10.836 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.628 -5.213 -9.991 1.00 0.00 H new ATOM 1277 N PHE A 102 -10.597 -4.750 -7.614 1.00 0.00 N ATOM 1278 CA PHE A 102 -11.245 -4.971 -6.351 1.00 0.00 C ATOM 1279 C PHE A 102 -11.246 -3.710 -5.537 1.00 0.00 C ATOM 1280 O PHE A 102 -10.369 -2.883 -5.700 1.00 0.00 O ATOM 1281 CB PHE A 102 -10.592 -6.126 -5.589 1.00 0.00 C ATOM 1282 CG PHE A 102 -9.141 -5.962 -5.216 1.00 0.00 C ATOM 1283 CD1 PHE A 102 -8.777 -5.645 -3.919 1.00 0.00 C ATOM 1284 CD2 PHE A 102 -8.147 -6.179 -6.141 1.00 0.00 C ATOM 1285 CE1 PHE A 102 -7.452 -5.549 -3.566 1.00 0.00 C ATOM 1286 CE2 PHE A 102 -6.825 -6.077 -5.792 1.00 0.00 C ATOM 1287 CZ PHE A 102 -6.476 -5.764 -4.501 1.00 0.00 C ATOM 0 H PHE A 102 -9.590 -4.603 -7.553 1.00 0.00 H new ATOM 0 HA PHE A 102 -12.280 -5.253 -6.541 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -11.161 -6.294 -4.674 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -10.687 -7.028 -6.193 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.542 -5.471 -3.177 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -8.411 -6.433 -7.157 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.181 -5.304 -2.550 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -6.057 -6.243 -6.533 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.435 -5.688 -4.225 1.00 0.00 H new ATOM 1297 N LYS A 103 -12.254 -3.534 -4.712 1.00 0.00 N ATOM 1298 CA LYS A 103 -12.288 -2.371 -3.847 1.00 0.00 C ATOM 1299 C LYS A 103 -12.173 -2.813 -2.382 1.00 0.00 C ATOM 1300 O LYS A 103 -12.000 -2.000 -1.491 1.00 0.00 O ATOM 1301 CB LYS A 103 -13.572 -1.504 -4.071 1.00 0.00 C ATOM 1302 CG LYS A 103 -14.810 -1.887 -3.239 1.00 0.00 C ATOM 1303 CD LYS A 103 -15.287 -3.309 -3.477 1.00 0.00 C ATOM 1304 CE LYS A 103 -16.331 -3.710 -2.445 1.00 0.00 C ATOM 1305 NZ LYS A 103 -17.555 -2.878 -2.505 1.00 0.00 N ATOM 0 H LYS A 103 -13.049 -4.167 -4.620 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.437 -1.739 -4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.324 -0.465 -3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.840 -1.556 -5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.579 -1.763 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.621 -1.197 -3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.709 -3.393 -4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.440 -3.994 -3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -16.601 -4.755 -2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.896 -3.635 -1.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -18.261 -3.251 -1.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.321 -1.897 -2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -17.943 -2.901 -3.469 1.00 0.00 H new ATOM 1319 N GLY A 104 -12.277 -4.119 -2.159 1.00 0.00 N ATOM 1320 CA GLY A 104 -12.290 -4.644 -0.826 1.00 0.00 C ATOM 1321 C GLY A 104 -11.032 -5.378 -0.505 1.00 0.00 C ATOM 1322 O GLY A 104 -10.866 -6.545 -0.885 1.00 0.00 O ATOM 0 H GLY A 104 -12.353 -4.822 -2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.426 -3.828 -0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.142 -5.314 -0.708 1.00 0.00 H new ATOM 1326 N ILE A 105 -10.149 -4.717 0.189 1.00 0.00 N ATOM 1327 CA ILE A 105 -8.879 -5.298 0.555 1.00 0.00 C ATOM 1328 C ILE A 105 -9.064 -6.038 1.833 1.00 0.00 C ATOM 1329 O ILE A 105 -9.413 -5.486 2.870 1.00 0.00 O ATOM 1330 CB ILE A 105 -7.811 -4.188 0.746 1.00 0.00 C ATOM 1331 CG1 ILE A 105 -7.683 -3.359 -0.515 1.00 0.00 C ATOM 1332 CG2 ILE A 105 -6.465 -4.771 1.124 1.00 0.00 C ATOM 1333 CD1 ILE A 105 -6.897 -2.097 -0.329 1.00 0.00 C ATOM 0 H ILE A 105 -10.285 -3.761 0.519 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.537 -5.969 -0.233 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.141 -3.548 1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.208 -3.962 -1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.680 -3.106 -0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.742 -3.965 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.558 -5.324 2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.126 -5.444 0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.848 -1.556 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.383 -1.473 0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.888 -2.342 0.001 1.00 0.00 H new ATOM 1345 N SER A 106 -8.890 -7.268 1.699 1.00 0.00 N ATOM 1346 CA SER A 106 -8.945 -8.217 2.712 1.00 0.00 C ATOM 1347 C SER A 106 -7.612 -8.400 3.465 1.00 0.00 C ATOM 1348 O SER A 106 -7.594 -8.874 4.603 1.00 0.00 O ATOM 1349 CB SER A 106 -9.420 -9.464 2.079 1.00 0.00 C ATOM 1350 OG SER A 106 -10.795 -9.423 1.772 1.00 0.00 O ATOM 0 H SER A 106 -8.685 -7.684 0.790 1.00 0.00 H new ATOM 0 HA SER A 106 -9.627 -7.889 3.496 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.852 -9.643 1.166 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.225 -10.304 2.746 1.00 0.00 H new ATOM 0 HG SER A 106 -10.927 -9.657 0.830 1.00 0.00 H new ATOM 1356 N SER A 107 -6.502 -8.063 2.820 1.00 0.00 N ATOM 1357 CA SER A 107 -5.192 -8.270 3.412 1.00 0.00 C ATOM 1358 C SER A 107 -4.191 -7.342 2.732 1.00 0.00 C ATOM 1359 O SER A 107 -4.382 -6.963 1.587 1.00 0.00 O ATOM 1360 CB SER A 107 -4.790 -9.733 3.193 1.00 0.00 C ATOM 1361 OG SER A 107 -3.695 -10.141 3.947 1.00 0.00 O ATOM 0 H SER A 107 -6.485 -7.646 1.889 1.00 0.00 H new ATOM 0 HA SER A 107 -5.210 -8.052 4.480 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.640 -10.372 3.432 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.566 -9.883 2.137 1.00 0.00 H new ATOM 0 HG SER A 107 -2.870 -9.961 3.450 1.00 0.00 H new ATOM 1367 N ILE A 108 -3.143 -6.986 3.429 1.00 0.00 N ATOM 1368 CA ILE A 108 -2.132 -6.071 2.909 1.00 0.00 C ATOM 1369 C ILE A 108 -0.775 -6.608 3.282 1.00 0.00 C ATOM 1370 O ILE A 108 -0.551 -6.927 4.440 1.00 0.00 O ATOM 1371 CB ILE A 108 -2.255 -4.644 3.529 1.00 0.00 C ATOM 1372 CG1 ILE A 108 -3.669 -4.102 3.386 1.00 0.00 C ATOM 1373 CG2 ILE A 108 -1.257 -3.688 2.889 1.00 0.00 C ATOM 1374 CD1 ILE A 108 -3.820 -2.720 3.939 1.00 0.00 C ATOM 0 H ILE A 108 -2.957 -7.317 4.376 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.271 -5.996 1.831 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.027 -4.725 4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.947 -4.099 2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -4.363 -4.770 3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.361 -2.700 3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -0.244 -4.056 3.053 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.450 -3.623 1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.849 -2.386 3.809 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.571 -2.724 5.000 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.149 -2.042 3.411 1.00 0.00 H new ATOM 1386 N LYS A 109 0.119 -6.700 2.342 1.00 0.00 N ATOM 1387 CA LYS A 109 1.446 -7.191 2.626 1.00 0.00 C ATOM 1388 C LYS A 109 2.417 -6.061 2.320 1.00 0.00 C ATOM 1389 O LYS A 109 2.292 -5.396 1.283 1.00 0.00 O ATOM 1390 CB LYS A 109 1.776 -8.417 1.765 1.00 0.00 C ATOM 1391 CG LYS A 109 2.864 -9.328 2.350 1.00 0.00 C ATOM 1392 CD LYS A 109 3.418 -10.302 1.305 1.00 0.00 C ATOM 1393 CE LYS A 109 2.357 -11.168 0.658 1.00 0.00 C ATOM 1394 NZ LYS A 109 2.874 -11.860 -0.549 1.00 0.00 N ATOM 0 H LYS A 109 -0.042 -6.442 1.368 1.00 0.00 H new ATOM 0 HA LYS A 109 1.518 -7.500 3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 109 0.867 -9.002 1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 109 2.094 -8.078 0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.676 -8.717 2.743 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.454 -9.890 3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.934 -9.735 0.530 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.161 -10.945 1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.002 -11.907 1.377 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.501 -10.551 0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.120 -12.443 -0.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.190 -11.155 -1.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.675 -12.468 -0.284 1.00 0.00 H new ATOM 1408 N ARG A 110 3.345 -5.809 3.210 1.00 0.00 N ATOM 1409 CA ARG A 110 4.268 -4.719 3.010 1.00 0.00 C ATOM 1410 C ARG A 110 5.577 -5.258 2.498 1.00 0.00 C ATOM 1411 O ARG A 110 6.178 -6.144 3.121 1.00 0.00 O ATOM 1412 CB ARG A 110 4.526 -3.963 4.301 1.00 0.00 C ATOM 1413 CG ARG A 110 5.355 -2.701 4.100 1.00 0.00 C ATOM 1414 CD ARG A 110 5.877 -2.169 5.414 1.00 0.00 C ATOM 1415 NE ARG A 110 6.896 -3.056 5.970 1.00 0.00 N ATOM 1416 CZ ARG A 110 7.352 -3.025 7.225 1.00 0.00 C ATOM 1417 NH1 ARG A 110 6.782 -2.240 8.144 1.00 0.00 N ATOM 1418 NH2 ARG A 110 8.362 -3.804 7.563 1.00 0.00 N ATOM 0 H ARG A 110 3.481 -6.338 4.072 1.00 0.00 H new ATOM 0 HA ARG A 110 3.824 -4.034 2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.572 -3.695 4.755 1.00 0.00 H new ATOM 0 HB3 ARG A 110 5.040 -4.620 5.003 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.191 -2.915 3.435 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.747 -1.939 3.613 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.297 -1.174 5.267 1.00 0.00 H new ATOM 0 HD3 ARG A 110 5.054 -2.066 6.121 1.00 0.00 H new ATOM 0 HE ARG A 110 7.293 -3.759 5.347 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.987 -1.653 7.891 1.00 0.00 H new ATOM 0 HH12 ARG A 110 7.142 -2.228 9.098 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.785 -4.420 6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.720 -3.790 8.518 1.00 0.00 H new ATOM 1432 N CYS A 111 6.040 -4.709 1.424 1.00 0.00 N ATOM 1433 CA CYS A 111 7.229 -5.170 0.807 1.00 0.00 C ATOM 1434 C CYS A 111 8.250 -4.047 0.785 1.00 0.00 C ATOM 1435 O CYS A 111 7.935 -2.883 1.092 1.00 0.00 O ATOM 1436 CB CYS A 111 6.910 -5.626 -0.614 1.00 0.00 C ATOM 1437 SG CYS A 111 5.485 -6.771 -0.769 1.00 0.00 S ATOM 0 H CYS A 111 5.597 -3.922 0.950 1.00 0.00 H new ATOM 0 HA CYS A 111 7.641 -6.010 1.366 1.00 0.00 H new ATOM 0 HB2 CYS A 111 6.715 -4.745 -1.225 1.00 0.00 H new ATOM 0 HB3 CYS A 111 7.793 -6.113 -1.028 1.00 0.00 H new ATOM 1442 N ILE A 112 9.451 -4.387 0.468 1.00 0.00 N ATOM 1443 CA ILE A 112 10.523 -3.451 0.380 1.00 0.00 C ATOM 1444 C ILE A 112 11.200 -3.586 -0.957 1.00 0.00 C ATOM 1445 O ILE A 112 11.375 -4.687 -1.469 1.00 0.00 O ATOM 1446 CB ILE A 112 11.567 -3.656 1.492 1.00 0.00 C ATOM 1447 CG1 ILE A 112 11.949 -5.132 1.595 1.00 0.00 C ATOM 1448 CG2 ILE A 112 11.047 -3.128 2.822 1.00 0.00 C ATOM 1449 CD1 ILE A 112 13.259 -5.365 2.274 1.00 0.00 C ATOM 0 H ILE A 112 9.724 -5.347 0.257 1.00 0.00 H new ATOM 0 HA ILE A 112 10.097 -2.455 0.498 1.00 0.00 H new ATOM 0 HB ILE A 112 12.463 -3.090 1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.168 -5.664 2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 112 11.988 -5.559 0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.800 -3.283 3.594 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.833 -2.063 2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.135 -3.660 3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.465 -6.435 2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.051 -4.862 1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.219 -4.968 3.288 1.00 0.00 H new ATOM 1461 N GLN A 113 11.557 -2.496 -1.516 1.00 0.00 N ATOM 1462 CA GLN A 113 12.211 -2.480 -2.775 1.00 0.00 C ATOM 1463 C GLN A 113 13.611 -1.996 -2.564 1.00 0.00 C ATOM 1464 O GLN A 113 13.826 -0.891 -2.080 1.00 0.00 O ATOM 1465 CB GLN A 113 11.461 -1.604 -3.769 1.00 0.00 C ATOM 1466 CG GLN A 113 11.997 -1.705 -5.181 1.00 0.00 C ATOM 1467 CD GLN A 113 11.153 -0.953 -6.168 1.00 0.00 C ATOM 1468 OE1 GLN A 113 10.550 0.070 -5.853 1.00 0.00 O ATOM 1469 NE2 GLN A 113 11.079 -1.462 -7.356 1.00 0.00 N ATOM 0 H GLN A 113 11.404 -1.573 -1.111 1.00 0.00 H new ATOM 0 HA GLN A 113 12.231 -3.484 -3.200 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.408 -1.884 -3.767 1.00 0.00 H new ATOM 0 HB3 GLN A 113 11.515 -0.566 -3.441 1.00 0.00 H new ATOM 0 HG2 GLN A 113 13.016 -1.318 -5.209 1.00 0.00 H new ATOM 0 HG3 GLN A 113 12.046 -2.754 -5.474 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.595 -2.313 -7.579 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.505 -1.012 -8.069 1.00 0.00 H new ATOM 1478 N THR A 114 14.539 -2.826 -2.891 1.00 0.00 N ATOM 1479 CA THR A 114 15.933 -2.547 -2.662 1.00 0.00 C ATOM 1480 C THR A 114 16.471 -1.602 -3.746 1.00 0.00 C ATOM 1481 O THR A 114 15.758 -1.281 -4.713 1.00 0.00 O ATOM 1482 CB THR A 114 16.730 -3.863 -2.718 1.00 0.00 C ATOM 1483 OG1 THR A 114 16.643 -4.385 -4.045 1.00 0.00 O ATOM 1484 CG2 THR A 114 16.139 -4.900 -1.774 1.00 0.00 C ATOM 0 H THR A 114 14.361 -3.729 -3.330 1.00 0.00 H new ATOM 0 HA THR A 114 16.041 -2.077 -1.684 1.00 0.00 H new ATOM 0 HB THR A 114 17.761 -3.658 -2.428 1.00 0.00 H new ATOM 0 HG1 THR A 114 15.931 -3.921 -4.533 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.721 -5.820 -1.833 1.00 0.00 H new ATOM 0 HG22 THR A 114 16.165 -4.519 -0.753 1.00 0.00 H new ATOM 0 HG23 THR A 114 15.107 -5.105 -2.059 1.00 0.00 H new ATOM 1492 N LYS A 115 17.741 -1.213 -3.629 1.00 0.00 N ATOM 1493 CA LYS A 115 18.389 -0.383 -4.631 1.00 0.00 C ATOM 1494 C LYS A 115 18.518 -1.170 -5.938 1.00 0.00 C ATOM 1495 O LYS A 115 18.700 -0.606 -7.012 1.00 0.00 O ATOM 1496 CB LYS A 115 19.780 0.012 -4.184 1.00 0.00 C ATOM 1497 CG LYS A 115 20.393 1.048 -5.102 1.00 0.00 C ATOM 1498 CD LYS A 115 21.864 0.836 -5.293 1.00 0.00 C ATOM 1499 CE LYS A 115 22.145 -0.427 -6.113 1.00 0.00 C ATOM 1500 NZ LYS A 115 21.531 -0.368 -7.470 1.00 0.00 N ATOM 0 H LYS A 115 18.340 -1.464 -2.843 1.00 0.00 H new ATOM 0 HA LYS A 115 17.783 0.512 -4.773 1.00 0.00 H new ATOM 0 HB2 LYS A 115 19.737 0.406 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 115 20.417 -0.872 -4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 115 19.894 1.013 -6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 115 20.221 2.043 -4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 115 22.296 1.701 -5.796 1.00 0.00 H new ATOM 0 HD3 LYS A 115 22.351 0.756 -4.321 1.00 0.00 H new ATOM 0 HE2 LYS A 115 23.222 -0.563 -6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 115 21.761 -1.297 -5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 21.947 -1.107 -8.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 20.505 -0.521 -7.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 21.712 0.565 -7.893 1.00 0.00 H new ATOM 1514 N ASP A 116 18.438 -2.477 -5.823 1.00 0.00 N ATOM 1515 CA ASP A 116 18.537 -3.379 -6.962 1.00 0.00 C ATOM 1516 C ASP A 116 17.206 -3.413 -7.719 1.00 0.00 C ATOM 1517 O ASP A 116 17.098 -3.957 -8.810 1.00 0.00 O ATOM 1518 CB ASP A 116 18.910 -4.776 -6.435 1.00 0.00 C ATOM 1519 CG ASP A 116 18.833 -5.897 -7.459 1.00 0.00 C ATOM 1520 OD1 ASP A 116 19.812 -6.128 -8.190 1.00 0.00 O ATOM 1521 OD2 ASP A 116 17.805 -6.604 -7.503 1.00 0.00 O ATOM 0 H ASP A 116 18.301 -2.953 -4.931 1.00 0.00 H new ATOM 0 HA ASP A 116 19.303 -3.036 -7.657 1.00 0.00 H new ATOM 0 HB2 ASP A 116 19.924 -4.738 -6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 116 18.250 -5.020 -5.602 1.00 0.00 H new ATOM 1526 N GLY A 117 16.203 -2.793 -7.137 1.00 0.00 N ATOM 1527 CA GLY A 117 14.911 -2.685 -7.759 1.00 0.00 C ATOM 1528 C GLY A 117 14.019 -3.850 -7.432 1.00 0.00 C ATOM 1529 O GLY A 117 12.816 -3.805 -7.697 1.00 0.00 O ATOM 0 H GLY A 117 16.265 -2.351 -6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.431 -1.761 -7.436 1.00 0.00 H new ATOM 0 HA3 GLY A 117 15.035 -2.618 -8.840 1.00 0.00 H new ATOM 1533 N LYS A 118 14.592 -4.892 -6.846 1.00 0.00 N ATOM 1534 CA LYS A 118 13.817 -6.052 -6.472 1.00 0.00 C ATOM 1535 C LYS A 118 12.939 -5.720 -5.290 1.00 0.00 C ATOM 1536 O LYS A 118 13.369 -5.007 -4.354 1.00 0.00 O ATOM 1537 CB LYS A 118 14.697 -7.271 -6.137 1.00 0.00 C ATOM 1538 CG LYS A 118 15.611 -7.096 -4.953 1.00 0.00 C ATOM 1539 CD LYS A 118 16.258 -8.404 -4.537 1.00 0.00 C ATOM 1540 CE LYS A 118 17.231 -8.188 -3.394 1.00 0.00 C ATOM 1541 NZ LYS A 118 17.727 -9.460 -2.843 1.00 0.00 N ATOM 0 H LYS A 118 15.586 -4.952 -6.623 1.00 0.00 H new ATOM 0 HA LYS A 118 13.206 -6.321 -7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.048 -8.127 -5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 118 15.302 -7.513 -7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.386 -6.370 -5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 118 15.045 -6.689 -4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 118 15.489 -9.115 -4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 118 16.781 -8.842 -5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 118 18.074 -7.591 -3.743 1.00 0.00 H new ATOM 0 HE3 LYS A 118 16.742 -7.617 -2.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 18.668 -9.314 -2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 17.071 -9.800 -2.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 17.793 -10.166 -3.604 1.00 0.00 H new ATOM 1555 N VAL A 119 11.740 -6.199 -5.335 1.00 0.00 N ATOM 1556 CA VAL A 119 10.805 -5.994 -4.281 1.00 0.00 C ATOM 1557 C VAL A 119 10.696 -7.292 -3.501 1.00 0.00 C ATOM 1558 O VAL A 119 10.225 -8.310 -4.021 1.00 0.00 O ATOM 1559 CB VAL A 119 9.397 -5.594 -4.821 1.00 0.00 C ATOM 1560 CG1 VAL A 119 8.475 -5.192 -3.688 1.00 0.00 C ATOM 1561 CG2 VAL A 119 9.488 -4.473 -5.846 1.00 0.00 C ATOM 0 H VAL A 119 11.379 -6.750 -6.114 1.00 0.00 H new ATOM 0 HA VAL A 119 11.155 -5.176 -3.651 1.00 0.00 H new ATOM 0 HB VAL A 119 8.981 -6.472 -5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.500 -4.918 -4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.360 -6.028 -2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 119 8.900 -4.340 -3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 119 8.488 -4.221 -6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.942 -3.595 -5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 119 10.099 -4.798 -6.688 1.00 0.00 H new ATOM 1571 N GLU A 120 11.158 -7.270 -2.298 1.00 0.00 N ATOM 1572 CA GLU A 120 11.105 -8.417 -1.431 1.00 0.00 C ATOM 1573 C GLU A 120 10.012 -8.155 -0.445 1.00 0.00 C ATOM 1574 O GLU A 120 9.723 -6.998 -0.161 1.00 0.00 O ATOM 1575 CB GLU A 120 12.428 -8.592 -0.708 1.00 0.00 C ATOM 1576 CG GLU A 120 13.613 -8.697 -1.640 1.00 0.00 C ATOM 1577 CD GLU A 120 14.900 -8.847 -0.899 1.00 0.00 C ATOM 1578 OE1 GLU A 120 15.236 -7.974 -0.101 1.00 0.00 O ATOM 1579 OE2 GLU A 120 15.628 -9.833 -1.132 1.00 0.00 O ATOM 0 H GLU A 120 11.590 -6.449 -1.875 1.00 0.00 H new ATOM 0 HA GLU A 120 10.916 -9.329 -1.998 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.579 -7.749 -0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 120 12.380 -9.489 -0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.476 -9.550 -2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 120 13.659 -7.808 -2.269 1.00 0.00 H new ATOM 1586 N CYS A 121 9.400 -9.160 0.077 1.00 0.00 N ATOM 1587 CA CYS A 121 8.295 -8.912 0.944 1.00 0.00 C ATOM 1588 C CYS A 121 8.379 -9.766 2.152 1.00 0.00 C ATOM 1589 O CYS A 121 9.014 -10.827 2.128 1.00 0.00 O ATOM 1590 CB CYS A 121 7.000 -9.183 0.234 1.00 0.00 C ATOM 1591 SG CYS A 121 5.664 -8.091 0.752 1.00 0.00 S ATOM 0 H CYS A 121 9.636 -10.141 -0.074 1.00 0.00 H new ATOM 0 HA CYS A 121 8.330 -7.864 1.243 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.153 -9.076 -0.840 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.705 -10.217 0.412 1.00 0.00 H new ATOM 1596 N ILE A 122 7.752 -9.337 3.202 1.00 0.00 N ATOM 1597 CA ILE A 122 7.758 -10.088 4.393 1.00 0.00 C ATOM 1598 C ILE A 122 6.316 -10.335 4.840 1.00 0.00 C ATOM 1599 O ILE A 122 5.466 -9.442 4.766 1.00 0.00 O ATOM 1600 CB ILE A 122 8.606 -9.398 5.506 1.00 0.00 C ATOM 1601 CG1 ILE A 122 8.723 -10.272 6.762 1.00 0.00 C ATOM 1602 CG2 ILE A 122 8.058 -8.016 5.850 1.00 0.00 C ATOM 1603 CD1 ILE A 122 9.507 -11.553 6.550 1.00 0.00 C ATOM 0 H ILE A 122 7.229 -8.462 3.247 1.00 0.00 H new ATOM 0 HA ILE A 122 8.235 -11.050 4.204 1.00 0.00 H new ATOM 0 HB ILE A 122 9.611 -9.269 5.104 1.00 0.00 H new ATOM 0 HG12 ILE A 122 9.200 -9.693 7.552 1.00 0.00 H new ATOM 0 HG13 ILE A 122 7.722 -10.524 7.111 1.00 0.00 H new ATOM 0 HG21 ILE A 122 8.673 -7.564 6.629 1.00 0.00 H new ATOM 0 HG22 ILE A 122 8.077 -7.385 4.961 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.032 -8.110 6.206 1.00 0.00 H new ATOM 0 HD11 ILE A 122 9.545 -12.115 7.483 1.00 0.00 H new ATOM 0 HD12 ILE A 122 9.020 -12.155 5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 122 10.521 -11.311 6.231 1.00 0.00 H new ATOM 1615 N ASN A 123 6.029 -11.548 5.219 1.00 0.00 N ATOM 1616 CA ASN A 123 4.708 -11.890 5.681 1.00 0.00 C ATOM 1617 C ASN A 123 4.658 -11.742 7.179 1.00 0.00 C ATOM 1618 O ASN A 123 5.231 -12.556 7.899 1.00 0.00 O ATOM 1619 CB ASN A 123 4.316 -13.335 5.294 1.00 0.00 C ATOM 1620 CG ASN A 123 4.181 -13.590 3.796 1.00 0.00 C ATOM 1621 OD1 ASN A 123 4.870 -12.991 2.966 1.00 0.00 O ATOM 1622 ND2 ASN A 123 3.309 -14.493 3.444 1.00 0.00 N ATOM 0 H ASN A 123 6.693 -12.322 5.218 1.00 0.00 H new ATOM 0 HA ASN A 123 3.998 -11.215 5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 123 5.064 -14.018 5.697 1.00 0.00 H new ATOM 0 HB3 ASN A 123 3.369 -13.579 5.775 1.00 0.00 H new ATOM 0 HD21 ASN A 123 3.181 -14.722 2.458 1.00 0.00 H new ATOM 0 HD22 ASN A 123 2.754 -14.971 4.154 1.00 0.00 H new ATOM 1629 N GLN A 124 4.033 -10.697 7.644 1.00 0.00 N ATOM 1630 CA GLN A 124 3.864 -10.480 9.064 1.00 0.00 C ATOM 1631 C GLN A 124 2.402 -10.200 9.339 1.00 0.00 C ATOM 1632 O GLN A 124 1.991 -9.045 9.219 1.00 0.00 O ATOM 1633 CB GLN A 124 4.736 -9.307 9.561 1.00 0.00 C ATOM 1634 CG GLN A 124 6.233 -9.506 9.367 1.00 0.00 C ATOM 1635 CD GLN A 124 7.057 -8.347 9.898 1.00 0.00 C ATOM 1636 OE1 GLN A 124 7.359 -7.386 9.182 1.00 0.00 O ATOM 1637 NE2 GLN A 124 7.420 -8.418 11.146 1.00 0.00 N ATOM 1638 OXT GLN A 124 1.639 -11.145 9.641 1.00 0.00 O ATOM 0 H GLN A 124 3.625 -9.970 7.056 1.00 0.00 H new ATOM 0 HA GLN A 124 4.183 -11.373 9.601 1.00 0.00 H new ATOM 0 HB2 GLN A 124 4.433 -8.399 9.040 1.00 0.00 H new ATOM 0 HB3 GLN A 124 4.538 -9.147 10.621 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.540 -10.424 9.869 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.442 -9.638 8.305 1.00 0.00 H new ATOM 0 HE21 GLN A 124 7.154 -9.226 11.709 1.00 0.00 H new ATOM 0 HE22 GLN A 124 7.971 -7.666 11.561 1.00 0.00 H new TER 1647 GLN A 124