USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=29 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 22 SER OG : rot -26:sc= 1.01 USER MOD Set 1.2: A 39 TYR OH : rot -140:sc= 2.09 USER MOD Single : A 24 LYS NZ :NH3+ 172:sc= 2.11 (180deg=2.06) USER MOD Single : A 25 TYR OH : rot 26:sc= 0.651 USER MOD Single : A 28 GLN : amide:sc= -1.35 K(o=-1.3,f=-5.3!) USER MOD Single : A 30 TYR OH : rot 55:sc= 1.25 USER MOD Single : A 33 THR OG1 : rot 124:sc= 1.75 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 43 TYR OH : rot -157:sc=0.000847 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.201 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 41:sc= 0.128 USER MOD Single : A 54 THR OG1 : rot 51:sc= 0.0717 USER MOD Single : A 57 SER OG : rot -60:sc= 0.761 USER MOD Single : A 64 ASN : amide:sc= 0.0966 K(o=0.097,f=-4.2!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0533 USER MOD Single : A 67 LYS NZ :NH3+ 167:sc= -0.0377 (180deg=-0.251) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.376 K(o=-0.38,f=-1.2) USER MOD Single : A 80 ASN : amide:sc= -0.945 K(o=-0.95,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -56:sc= 1.07 USER MOD Single : A 86 THR OG1 : rot 101:sc= 1.18 USER MOD Single : A 90 HIS : no HE2:sc= -1.31! C(o=-1.3!,f=-4.2!) 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+ 151:sc= 0.773 (180deg=0.14) USER MOD Single : A 100 SER OG : rot 67:sc= 0.0296 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 170:sc= -0.0504 USER MOD Single : A 107 SER OG : rot -73:sc= 1.67 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0.45 K(o=0.45,f=-0.21) USER MOD Single : A 114 THR OG1 : rot 149:sc= -1.14 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc=-0.000449 K(o=-0.00045,f=-0.79) USER MOD Single : A 124 GLN : amide:sc= 0.584 K(o=0.58,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 0.688 20.386 7.977 1.00 0.00 N ATOM 2 CA GLY A 19 1.753 19.637 7.317 1.00 0.00 C ATOM 3 C GLY A 19 2.173 18.471 8.145 1.00 0.00 C ATOM 4 O GLY A 19 1.922 18.457 9.350 1.00 0.00 O ATOM 0 HA2 GLY A 19 1.410 19.291 6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.608 20.290 7.141 1.00 0.00 H new ATOM 10 N ALA A 20 2.790 17.474 7.500 1.00 0.00 N ATOM 11 CA ALA A 20 3.279 16.251 8.155 1.00 0.00 C ATOM 12 C ALA A 20 2.139 15.482 8.834 1.00 0.00 C ATOM 13 O ALA A 20 2.348 14.775 9.827 1.00 0.00 O ATOM 14 CB ALA A 20 4.399 16.577 9.151 1.00 0.00 C ATOM 0 H ALA A 20 2.967 17.492 6.496 1.00 0.00 H new ATOM 0 HA ALA A 20 3.692 15.603 7.382 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.745 15.658 9.623 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.228 17.049 8.624 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.021 17.257 9.914 1.00 0.00 H new ATOM 20 N ASP A 21 0.947 15.576 8.266 1.00 0.00 N ATOM 21 CA ASP A 21 -0.211 14.882 8.826 1.00 0.00 C ATOM 22 C ASP A 21 -0.227 13.452 8.327 1.00 0.00 C ATOM 23 O ASP A 21 -0.718 12.541 8.990 1.00 0.00 O ATOM 24 CB ASP A 21 -1.507 15.598 8.433 1.00 0.00 C ATOM 25 CG ASP A 21 -2.740 14.939 9.012 1.00 0.00 C ATOM 26 OD1 ASP A 21 -2.968 15.064 10.230 1.00 0.00 O ATOM 27 OD2 ASP A 21 -3.532 14.328 8.248 1.00 0.00 O ATOM 0 H ASP A 21 0.753 16.120 7.425 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.139 14.884 9.914 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.461 16.633 8.771 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.589 15.621 7.346 1.00 0.00 H new ATOM 32 N SER A 22 0.381 13.262 7.192 1.00 0.00 N ATOM 33 CA SER A 22 0.553 11.960 6.623 1.00 0.00 C ATOM 34 C SER A 22 1.893 11.422 7.114 1.00 0.00 C ATOM 35 O SER A 22 2.829 12.208 7.329 1.00 0.00 O ATOM 36 CB SER A 22 0.530 12.075 5.105 1.00 0.00 C ATOM 37 OG SER A 22 -0.666 12.737 4.672 1.00 0.00 O ATOM 0 H SER A 22 0.775 14.017 6.630 1.00 0.00 H new ATOM 0 HA SER A 22 -0.245 11.281 6.921 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.404 12.629 4.763 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.586 11.083 4.658 1.00 0.00 H new ATOM 0 HG SER A 22 -1.373 12.602 5.337 1.00 0.00 H new ATOM 43 N CYS A 23 2.005 10.139 7.311 1.00 0.00 N ATOM 44 CA CYS A 23 3.217 9.599 7.875 1.00 0.00 C ATOM 45 C CYS A 23 4.102 8.941 6.824 1.00 0.00 C ATOM 46 O CYS A 23 3.635 8.468 5.775 1.00 0.00 O ATOM 47 CB CYS A 23 2.921 8.659 9.056 1.00 0.00 C ATOM 48 SG CYS A 23 1.771 7.304 8.684 1.00 0.00 S ATOM 0 H CYS A 23 1.283 9.452 7.094 1.00 0.00 H new ATOM 0 HA CYS A 23 3.786 10.441 8.269 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.861 8.233 9.407 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.512 9.248 9.877 1.00 0.00 H new ATOM 53 N LYS A 24 5.378 8.961 7.100 1.00 0.00 N ATOM 54 CA LYS A 24 6.400 8.431 6.238 1.00 0.00 C ATOM 55 C LYS A 24 6.391 6.895 6.340 1.00 0.00 C ATOM 56 O LYS A 24 6.285 6.360 7.440 1.00 0.00 O ATOM 57 CB LYS A 24 7.736 8.987 6.736 1.00 0.00 C ATOM 58 CG LYS A 24 8.928 8.782 5.840 1.00 0.00 C ATOM 59 CD LYS A 24 8.830 9.567 4.542 1.00 0.00 C ATOM 60 CE LYS A 24 10.111 9.418 3.762 1.00 0.00 C ATOM 61 NZ LYS A 24 10.152 10.229 2.535 1.00 0.00 N ATOM 0 H LYS A 24 5.748 9.361 7.962 1.00 0.00 H new ATOM 0 HA LYS A 24 6.236 8.710 5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.617 10.057 6.906 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.955 8.533 7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.832 9.079 6.372 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.027 7.721 5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.988 9.207 3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.643 10.619 4.755 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.949 9.697 4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.246 8.369 3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.105 10.185 2.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.461 9.860 1.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.919 11.216 2.764 1.00 0.00 H new ATOM 75 N TYR A 25 6.481 6.200 5.185 1.00 0.00 N ATOM 76 CA TYR A 25 6.484 4.713 5.139 1.00 0.00 C ATOM 77 C TYR A 25 5.165 4.125 5.619 1.00 0.00 C ATOM 78 O TYR A 25 5.132 3.075 6.257 1.00 0.00 O ATOM 79 CB TYR A 25 7.666 4.103 5.930 1.00 0.00 C ATOM 80 CG TYR A 25 8.981 4.006 5.177 1.00 0.00 C ATOM 81 CD1 TYR A 25 9.565 2.770 4.958 1.00 0.00 C ATOM 82 CD2 TYR A 25 9.636 5.125 4.697 1.00 0.00 C ATOM 83 CE1 TYR A 25 10.765 2.651 4.297 1.00 0.00 C ATOM 84 CE2 TYR A 25 10.838 5.017 4.023 1.00 0.00 C ATOM 85 CZ TYR A 25 11.403 3.780 3.831 1.00 0.00 C ATOM 86 OH TYR A 25 12.612 3.679 3.173 1.00 0.00 O ATOM 0 H TYR A 25 6.553 6.642 4.268 1.00 0.00 H new ATOM 0 HA TYR A 25 6.612 4.445 4.090 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.826 4.700 6.828 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.382 3.103 6.259 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.067 1.880 5.314 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.201 6.101 4.851 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.205 1.677 4.144 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.331 5.902 3.649 1.00 0.00 H new ATOM 0 HH TYR A 25 12.686 2.794 2.758 1.00 0.00 H new ATOM 96 N CYS A 26 4.092 4.749 5.249 1.00 0.00 N ATOM 97 CA CYS A 26 2.794 4.280 5.639 1.00 0.00 C ATOM 98 C CYS A 26 1.960 4.038 4.419 1.00 0.00 C ATOM 99 O CYS A 26 2.155 4.682 3.385 1.00 0.00 O ATOM 100 CB CYS A 26 2.084 5.318 6.493 1.00 0.00 C ATOM 101 SG CYS A 26 2.962 5.827 7.985 1.00 0.00 S ATOM 0 H CYS A 26 4.086 5.591 4.673 1.00 0.00 H new ATOM 0 HA CYS A 26 2.923 3.360 6.208 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.899 6.201 5.882 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.111 4.921 6.782 1.00 0.00 H new ATOM 106 N LEU A 27 1.076 3.101 4.522 1.00 0.00 N ATOM 107 CA LEU A 27 0.129 2.839 3.493 1.00 0.00 C ATOM 108 C LEU A 27 -1.116 3.579 3.863 1.00 0.00 C ATOM 109 O LEU A 27 -1.735 3.284 4.890 1.00 0.00 O ATOM 110 CB LEU A 27 -0.152 1.351 3.400 1.00 0.00 C ATOM 111 CG LEU A 27 -1.134 0.902 2.340 1.00 0.00 C ATOM 112 CD1 LEU A 27 -0.714 1.341 0.956 1.00 0.00 C ATOM 113 CD2 LEU A 27 -1.288 -0.573 2.387 1.00 0.00 C ATOM 0 H LEU A 27 0.991 2.489 5.334 1.00 0.00 H new ATOM 0 HA LEU A 27 0.505 3.161 2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.794 0.838 3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.522 1.015 4.369 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.092 1.376 2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.448 0.997 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.652 2.429 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.261 0.914 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.996 -0.889 1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.323 -1.046 2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.658 -0.869 3.368 1.00 0.00 H new ATOM 125 N GLN A 28 -1.456 4.569 3.102 1.00 0.00 N ATOM 126 CA GLN A 28 -2.595 5.352 3.436 1.00 0.00 C ATOM 127 C GLN A 28 -3.688 5.118 2.425 1.00 0.00 C ATOM 128 O GLN A 28 -3.490 5.280 1.208 1.00 0.00 O ATOM 129 CB GLN A 28 -2.153 6.803 3.500 1.00 0.00 C ATOM 130 CG GLN A 28 -1.110 7.024 4.611 1.00 0.00 C ATOM 131 CD GLN A 28 -0.398 8.365 4.585 1.00 0.00 C ATOM 132 OE1 GLN A 28 -0.010 8.889 5.626 1.00 0.00 O ATOM 133 NE2 GLN A 28 -0.186 8.914 3.419 1.00 0.00 N ATOM 0 H GLN A 28 -0.965 4.851 2.253 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.007 5.072 4.405 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.732 7.099 2.539 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.018 7.441 3.679 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.605 6.914 5.576 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.362 6.234 4.545 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.520 8.456 2.571 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.314 9.801 3.356 1.00 0.00 H new ATOM 142 N LEU A 29 -4.819 4.703 2.924 1.00 0.00 N ATOM 143 CA LEU A 29 -5.954 4.410 2.098 1.00 0.00 C ATOM 144 C LEU A 29 -7.055 5.425 2.315 1.00 0.00 C ATOM 145 O LEU A 29 -7.496 5.617 3.451 1.00 0.00 O ATOM 146 CB LEU A 29 -6.449 2.980 2.337 1.00 0.00 C ATOM 147 CG LEU A 29 -5.381 1.874 2.202 1.00 0.00 C ATOM 148 CD1 LEU A 29 -4.896 1.383 3.558 1.00 0.00 C ATOM 149 CD2 LEU A 29 -5.890 0.730 1.376 1.00 0.00 C ATOM 0 H LEU A 29 -4.979 4.558 3.921 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.645 4.479 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.878 2.926 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.254 2.771 1.633 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.527 2.316 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.145 0.605 3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.458 2.214 4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.737 0.977 4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.117 -0.034 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.774 0.304 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.149 1.088 0.379 1.00 0.00 H new ATOM 161 N TYR A 30 -7.499 6.055 1.256 1.00 0.00 N ATOM 162 CA TYR A 30 -8.535 7.078 1.327 1.00 0.00 C ATOM 163 C TYR A 30 -9.898 6.462 1.168 1.00 0.00 C ATOM 164 O TYR A 30 -10.038 5.407 0.541 1.00 0.00 O ATOM 165 CB TYR A 30 -8.334 8.132 0.252 1.00 0.00 C ATOM 166 CG TYR A 30 -7.100 8.971 0.431 1.00 0.00 C ATOM 167 CD1 TYR A 30 -5.900 8.600 -0.150 1.00 0.00 C ATOM 168 CD2 TYR A 30 -7.134 10.138 1.180 1.00 0.00 C ATOM 169 CE1 TYR A 30 -4.772 9.365 0.007 1.00 0.00 C ATOM 170 CE2 TYR A 30 -6.002 10.909 1.341 1.00 0.00 C ATOM 171 CZ TYR A 30 -4.826 10.517 0.749 1.00 0.00 C ATOM 172 OH TYR A 30 -3.689 11.283 0.894 1.00 0.00 O ATOM 0 H TYR A 30 -7.156 5.878 0.312 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.463 7.552 2.306 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.286 7.639 -0.719 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.205 8.787 0.235 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.851 7.694 -0.736 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.059 10.447 1.643 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.843 9.061 -0.453 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.040 11.815 1.928 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.331 11.508 0.010 1.00 0.00 H new ATOM 182 N ASP A 31 -10.909 7.126 1.690 1.00 0.00 N ATOM 183 CA ASP A 31 -12.264 6.581 1.656 1.00 0.00 C ATOM 184 C ASP A 31 -12.837 6.711 0.264 1.00 0.00 C ATOM 185 O ASP A 31 -13.462 5.791 -0.273 1.00 0.00 O ATOM 186 CB ASP A 31 -13.161 7.300 2.658 1.00 0.00 C ATOM 187 CG ASP A 31 -14.520 6.649 2.806 1.00 0.00 C ATOM 188 OD1 ASP A 31 -14.659 5.741 3.643 1.00 0.00 O ATOM 189 OD2 ASP A 31 -15.483 7.069 2.140 1.00 0.00 O ATOM 0 H ASP A 31 -10.827 8.037 2.141 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.219 5.527 1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.667 7.322 3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.292 8.335 2.343 1.00 0.00 H new ATOM 194 N GLU A 32 -12.570 7.830 -0.324 1.00 0.00 N ATOM 195 CA GLU A 32 -13.001 8.143 -1.641 1.00 0.00 C ATOM 196 C GLU A 32 -11.842 8.129 -2.586 1.00 0.00 C ATOM 197 O GLU A 32 -10.703 7.860 -2.190 1.00 0.00 O ATOM 198 CB GLU A 32 -13.693 9.473 -1.671 1.00 0.00 C ATOM 199 CG GLU A 32 -15.104 9.452 -1.170 1.00 0.00 C ATOM 200 CD GLU A 32 -16.029 8.706 -2.096 1.00 0.00 C ATOM 201 OE1 GLU A 32 -16.439 9.296 -3.135 1.00 0.00 O ATOM 202 OE2 GLU A 32 -16.414 7.547 -1.791 1.00 0.00 O ATOM 0 H GLU A 32 -12.028 8.574 0.116 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.714 7.383 -1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.119 10.180 -1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.690 9.846 -2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.130 8.989 -0.184 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.460 10.475 -1.051 1.00 0.00 H new ATOM 209 N THR A 33 -12.128 8.382 -3.818 1.00 0.00 N ATOM 210 CA THR A 33 -11.163 8.353 -4.867 1.00 0.00 C ATOM 211 C THR A 33 -10.368 9.655 -4.898 1.00 0.00 C ATOM 212 O THR A 33 -10.655 10.572 -4.106 1.00 0.00 O ATOM 213 CB THR A 33 -11.925 8.178 -6.167 1.00 0.00 C ATOM 214 OG1 THR A 33 -13.208 8.805 -5.994 1.00 0.00 O ATOM 215 CG2 THR A 33 -12.127 6.718 -6.499 1.00 0.00 C ATOM 0 H THR A 33 -13.068 8.622 -4.134 1.00 0.00 H new ATOM 0 HA THR A 33 -10.455 7.538 -4.715 1.00 0.00 H new ATOM 0 HB THR A 33 -11.360 8.626 -6.985 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.343 9.474 -6.697 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.676 6.631 -7.436 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.157 6.230 -6.600 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.693 6.238 -5.701 1.00 0.00 H new ATOM 223 N TYR A 34 -9.344 9.722 -5.780 1.00 0.00 N ATOM 224 CA TYR A 34 -8.542 10.946 -6.036 1.00 0.00 C ATOM 225 C TYR A 34 -8.062 11.679 -4.771 1.00 0.00 C ATOM 226 O TYR A 34 -7.934 12.901 -4.767 1.00 0.00 O ATOM 227 CB TYR A 34 -9.217 11.905 -7.084 1.00 0.00 C ATOM 228 CG TYR A 34 -10.723 11.752 -7.268 1.00 0.00 C ATOM 229 CD1 TYR A 34 -11.626 12.322 -6.383 1.00 0.00 C ATOM 230 CD2 TYR A 34 -11.231 11.008 -8.324 1.00 0.00 C ATOM 231 CE1 TYR A 34 -12.985 12.149 -6.546 1.00 0.00 C ATOM 232 CE2 TYR A 34 -12.589 10.841 -8.491 1.00 0.00 C ATOM 233 CZ TYR A 34 -13.459 11.413 -7.600 1.00 0.00 C ATOM 234 OH TYR A 34 -14.818 11.233 -7.755 1.00 0.00 O ATOM 0 H TYR A 34 -9.047 8.923 -6.340 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.624 10.580 -6.495 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.011 12.934 -6.789 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.737 11.749 -8.050 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.260 12.910 -5.554 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.550 10.552 -9.027 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.675 12.593 -5.843 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.966 10.262 -9.321 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.987 10.688 -8.552 1.00 0.00 H new ATOM 244 N GLU A 35 -7.766 10.902 -3.723 1.00 0.00 N ATOM 245 CA GLU A 35 -7.278 11.401 -2.427 1.00 0.00 C ATOM 246 C GLU A 35 -8.294 12.258 -1.670 1.00 0.00 C ATOM 247 O GLU A 35 -7.910 13.040 -0.784 1.00 0.00 O ATOM 248 CB GLU A 35 -5.941 12.161 -2.528 1.00 0.00 C ATOM 249 CG GLU A 35 -4.734 11.314 -2.874 1.00 0.00 C ATOM 250 CD GLU A 35 -3.455 12.081 -2.655 1.00 0.00 C ATOM 251 OE1 GLU A 35 -2.975 12.145 -1.493 1.00 0.00 O ATOM 252 OE2 GLU A 35 -2.926 12.663 -3.620 1.00 0.00 O ATOM 0 H GLU A 35 -7.860 9.887 -3.750 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.114 10.490 -1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.043 12.942 -3.282 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.753 12.659 -1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.731 10.412 -2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.796 10.993 -3.914 1.00 0.00 H new ATOM 259 N ARG A 36 -9.566 12.110 -1.953 1.00 0.00 N ATOM 260 CA ARG A 36 -10.532 12.825 -1.173 1.00 0.00 C ATOM 261 C ARG A 36 -11.084 11.893 -0.094 1.00 0.00 C ATOM 262 O ARG A 36 -11.025 10.657 -0.230 1.00 0.00 O ATOM 263 CB ARG A 36 -11.649 13.455 -2.008 1.00 0.00 C ATOM 264 CG ARG A 36 -12.657 12.501 -2.538 1.00 0.00 C ATOM 265 CD ARG A 36 -13.765 13.223 -3.235 1.00 0.00 C ATOM 266 NE ARG A 36 -14.828 12.284 -3.636 1.00 0.00 N ATOM 267 CZ ARG A 36 -15.883 12.548 -4.424 1.00 0.00 C ATOM 268 NH1 ARG A 36 -16.009 13.728 -5.039 1.00 0.00 N ATOM 269 NH2 ARG A 36 -16.793 11.600 -4.614 1.00 0.00 N ATOM 0 H ARG A 36 -9.943 11.519 -2.694 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.026 13.671 -0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.162 14.199 -1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.199 13.986 -2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.178 11.808 -3.230 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.064 11.905 -1.721 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.178 13.988 -2.577 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.375 13.736 -4.114 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.755 11.332 -3.277 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.296 14.447 -4.914 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.818 13.909 -5.634 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.684 10.691 -4.165 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.601 11.781 -5.209 1.00 0.00 H new ATOM 283 N GLY A 37 -11.603 12.463 0.948 1.00 0.00 N ATOM 284 CA GLY A 37 -12.057 11.712 2.070 1.00 0.00 C ATOM 285 C GLY A 37 -10.936 11.581 3.060 1.00 0.00 C ATOM 286 O GLY A 37 -9.846 12.147 2.848 1.00 0.00 O ATOM 0 H GLY A 37 -11.723 13.471 1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.911 12.206 2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.394 10.726 1.751 1.00 0.00 H new ATOM 290 N SER A 38 -11.167 10.904 4.129 1.00 0.00 N ATOM 291 CA SER A 38 -10.128 10.695 5.076 1.00 0.00 C ATOM 292 C SER A 38 -9.376 9.430 4.731 1.00 0.00 C ATOM 293 O SER A 38 -9.814 8.646 3.869 1.00 0.00 O ATOM 294 CB SER A 38 -10.677 10.646 6.487 1.00 0.00 C ATOM 295 OG SER A 38 -11.432 11.819 6.767 1.00 0.00 O ATOM 0 H SER A 38 -12.065 10.485 4.370 1.00 0.00 H new ATOM 0 HA SER A 38 -9.435 11.535 5.033 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.305 9.764 6.609 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.857 10.555 7.200 1.00 0.00 H new ATOM 0 HG SER A 38 -11.782 11.772 7.681 1.00 0.00 H new ATOM 301 N TYR A 39 -8.271 9.228 5.374 1.00 0.00 N ATOM 302 CA TYR A 39 -7.447 8.105 5.102 1.00 0.00 C ATOM 303 C TYR A 39 -7.060 7.420 6.374 1.00 0.00 C ATOM 304 O TYR A 39 -7.234 7.963 7.460 1.00 0.00 O ATOM 305 CB TYR A 39 -6.206 8.507 4.283 1.00 0.00 C ATOM 306 CG TYR A 39 -5.296 9.540 4.925 1.00 0.00 C ATOM 307 CD1 TYR A 39 -4.088 9.168 5.492 1.00 0.00 C ATOM 308 CD2 TYR A 39 -5.633 10.883 4.930 1.00 0.00 C ATOM 309 CE1 TYR A 39 -3.239 10.109 6.039 1.00 0.00 C ATOM 310 CE2 TYR A 39 -4.803 11.826 5.484 1.00 0.00 C ATOM 311 CZ TYR A 39 -3.601 11.439 6.034 1.00 0.00 C ATOM 312 OH TYR A 39 -2.740 12.385 6.554 1.00 0.00 O ATOM 0 H TYR A 39 -7.917 9.844 6.106 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.020 7.401 4.498 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.621 7.610 4.082 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.539 8.893 3.320 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.806 8.126 5.506 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.568 11.195 4.489 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.296 9.805 6.469 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.091 12.867 5.488 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.253 13.056 7.052 1.00 0.00 H new ATOM 322 N ILE A 40 -6.560 6.249 6.240 1.00 0.00 N ATOM 323 CA ILE A 40 -6.118 5.481 7.356 1.00 0.00 C ATOM 324 C ILE A 40 -4.617 5.338 7.226 1.00 0.00 C ATOM 325 O ILE A 40 -4.089 5.370 6.109 1.00 0.00 O ATOM 326 CB ILE A 40 -6.800 4.068 7.365 1.00 0.00 C ATOM 327 CG1 ILE A 40 -6.448 3.280 8.639 1.00 0.00 C ATOM 328 CG2 ILE A 40 -6.404 3.275 6.125 1.00 0.00 C ATOM 329 CD1 ILE A 40 -7.135 1.934 8.753 1.00 0.00 C ATOM 0 H ILE A 40 -6.442 5.784 5.340 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.385 5.975 8.290 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.879 4.222 7.355 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.369 3.127 8.671 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.710 3.883 9.508 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.886 2.298 6.149 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.720 3.814 5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.322 3.145 6.106 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.830 1.447 9.680 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.216 2.076 8.756 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.854 1.309 7.905 1.00 0.00 H new ATOM 341 N GLU A 41 -3.943 5.222 8.322 1.00 0.00 N ATOM 342 CA GLU A 41 -2.525 5.054 8.305 1.00 0.00 C ATOM 343 C GLU A 41 -2.230 3.623 8.664 1.00 0.00 C ATOM 344 O GLU A 41 -2.682 3.126 9.704 1.00 0.00 O ATOM 345 CB GLU A 41 -1.901 5.985 9.340 1.00 0.00 C ATOM 346 CG GLU A 41 -2.088 7.465 9.047 1.00 0.00 C ATOM 347 CD GLU A 41 -1.858 8.311 10.269 1.00 0.00 C ATOM 348 OE1 GLU A 41 -2.853 8.856 10.806 1.00 0.00 O ATOM 349 OE2 GLU A 41 -0.710 8.400 10.752 1.00 0.00 O ATOM 0 H GLU A 41 -4.357 5.241 9.254 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.115 5.290 7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.331 5.763 10.317 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.834 5.772 9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.399 7.769 8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.097 7.636 8.671 1.00 0.00 H new ATOM 356 N VAL A 42 -1.501 2.966 7.818 1.00 0.00 N ATOM 357 CA VAL A 42 -1.140 1.591 8.019 1.00 0.00 C ATOM 358 C VAL A 42 0.358 1.474 7.976 1.00 0.00 C ATOM 359 O VAL A 42 1.009 2.050 7.102 1.00 0.00 O ATOM 360 CB VAL A 42 -1.767 0.684 6.936 1.00 0.00 C ATOM 361 CG1 VAL A 42 -1.334 -0.761 7.103 1.00 0.00 C ATOM 362 CG2 VAL A 42 -3.280 0.788 6.966 1.00 0.00 C ATOM 0 H VAL A 42 -1.133 3.371 6.957 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.518 1.264 8.988 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.409 1.030 5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.793 -1.371 6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.249 -0.827 7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.648 -1.124 8.081 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.704 0.143 6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.647 0.476 7.944 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.578 1.820 6.779 1.00 0.00 H new ATOM 372 N TYR A 43 0.891 0.764 8.918 1.00 0.00 N ATOM 373 CA TYR A 43 2.314 0.615 9.045 1.00 0.00 C ATOM 374 C TYR A 43 2.669 -0.853 8.867 1.00 0.00 C ATOM 375 O TYR A 43 3.732 -1.203 8.352 1.00 0.00 O ATOM 376 CB TYR A 43 2.734 1.060 10.459 1.00 0.00 C ATOM 377 CG TYR A 43 1.965 2.269 10.969 1.00 0.00 C ATOM 378 CD1 TYR A 43 0.951 2.117 11.908 1.00 0.00 C ATOM 379 CD2 TYR A 43 2.222 3.541 10.491 1.00 0.00 C ATOM 380 CE1 TYR A 43 0.221 3.194 12.355 1.00 0.00 C ATOM 381 CE2 TYR A 43 1.497 4.629 10.940 1.00 0.00 C ATOM 382 CZ TYR A 43 0.497 4.449 11.869 1.00 0.00 C ATOM 383 OH TYR A 43 -0.236 5.532 12.314 1.00 0.00 O ATOM 0 H TYR A 43 0.353 0.267 9.627 1.00 0.00 H new ATOM 0 HA TYR A 43 2.825 1.218 8.295 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.590 0.230 11.150 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.799 1.291 10.457 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.732 1.133 12.295 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.000 3.686 9.756 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.564 3.054 13.083 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.714 5.617 10.563 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.190 6.253 11.652 1.00 0.00 H new ATOM 393 N LYS A 44 1.759 -1.704 9.278 1.00 0.00 N ATOM 394 CA LYS A 44 1.975 -3.131 9.311 1.00 0.00 C ATOM 395 C LYS A 44 1.272 -3.806 8.169 1.00 0.00 C ATOM 396 O LYS A 44 0.391 -3.243 7.555 1.00 0.00 O ATOM 397 CB LYS A 44 1.412 -3.701 10.617 1.00 0.00 C ATOM 398 CG LYS A 44 1.907 -3.067 11.929 1.00 0.00 C ATOM 399 CD LYS A 44 3.375 -3.341 12.229 1.00 0.00 C ATOM 400 CE LYS A 44 4.333 -2.429 11.473 1.00 0.00 C ATOM 401 NZ LYS A 44 5.737 -2.746 11.789 1.00 0.00 N ATOM 0 H LYS A 44 0.835 -1.421 9.603 1.00 0.00 H new ATOM 0 HA LYS A 44 3.047 -3.313 9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.326 -3.610 10.586 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.642 -4.766 10.648 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.750 -1.989 11.883 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.301 -3.442 12.754 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.546 -3.226 13.299 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.601 -4.378 11.980 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.167 -2.533 10.401 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.126 -1.390 11.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.365 -2.108 11.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.900 -2.623 12.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.939 -3.731 11.522 1.00 0.00 H new ATOM 415 N SER A 45 1.675 -4.995 7.886 1.00 0.00 N ATOM 416 CA SER A 45 0.995 -5.795 6.934 1.00 0.00 C ATOM 417 C SER A 45 -0.086 -6.571 7.680 1.00 0.00 C ATOM 418 O SER A 45 0.113 -6.959 8.842 1.00 0.00 O ATOM 419 CB SER A 45 1.996 -6.715 6.258 1.00 0.00 C ATOM 420 OG SER A 45 2.816 -7.335 7.219 1.00 0.00 O ATOM 0 H SER A 45 2.489 -5.440 8.311 1.00 0.00 H new ATOM 0 HA SER A 45 0.526 -5.195 6.154 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.470 -7.472 5.676 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.609 -6.146 5.559 1.00 0.00 H new ATOM 0 HG SER A 45 3.456 -7.927 6.770 1.00 0.00 H new ATOM 426 N VAL A 46 -1.207 -6.753 7.070 1.00 0.00 N ATOM 427 CA VAL A 46 -2.292 -7.416 7.713 1.00 0.00 C ATOM 428 C VAL A 46 -2.695 -8.649 6.906 1.00 0.00 C ATOM 429 O VAL A 46 -2.856 -8.578 5.692 1.00 0.00 O ATOM 430 CB VAL A 46 -3.498 -6.451 7.917 1.00 0.00 C ATOM 431 CG1 VAL A 46 -4.140 -6.043 6.608 1.00 0.00 C ATOM 432 CG2 VAL A 46 -4.504 -7.024 8.891 1.00 0.00 C ATOM 0 H VAL A 46 -1.398 -6.448 6.116 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.970 -7.740 8.703 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.103 -5.536 8.359 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.975 -5.371 6.806 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.404 -5.534 5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.504 -6.930 6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.333 -6.326 9.011 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.881 -7.973 8.509 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.024 -7.187 9.856 1.00 0.00 H new ATOM 442 N GLY A 47 -2.828 -9.764 7.558 1.00 0.00 N ATOM 443 CA GLY A 47 -3.211 -10.962 6.858 1.00 0.00 C ATOM 444 C GLY A 47 -4.711 -11.170 6.816 1.00 0.00 C ATOM 445 O GLY A 47 -5.209 -11.963 6.009 1.00 0.00 O ATOM 0 H GLY A 47 -2.680 -9.874 8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.827 -10.919 5.839 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.744 -11.822 7.338 1.00 0.00 H new ATOM 449 N SER A 48 -5.440 -10.454 7.648 1.00 0.00 N ATOM 450 CA SER A 48 -6.875 -10.606 7.710 1.00 0.00 C ATOM 451 C SER A 48 -7.574 -9.343 8.216 1.00 0.00 C ATOM 452 O SER A 48 -7.246 -8.807 9.281 1.00 0.00 O ATOM 453 CB SER A 48 -7.228 -11.832 8.557 1.00 0.00 C ATOM 454 OG SER A 48 -6.464 -11.849 9.765 1.00 0.00 O ATOM 0 H SER A 48 -5.059 -9.760 8.291 1.00 0.00 H new ATOM 0 HA SER A 48 -7.244 -10.763 6.696 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.292 -11.822 8.794 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.037 -12.741 7.987 1.00 0.00 H new ATOM 0 HG SER A 48 -6.705 -12.639 10.293 1.00 0.00 H new ATOM 460 N LEU A 49 -8.489 -8.855 7.420 1.00 0.00 N ATOM 461 CA LEU A 49 -9.286 -7.709 7.756 1.00 0.00 C ATOM 462 C LEU A 49 -10.733 -8.095 7.855 1.00 0.00 C ATOM 463 O LEU A 49 -11.318 -8.588 6.885 1.00 0.00 O ATOM 464 CB LEU A 49 -9.113 -6.642 6.686 1.00 0.00 C ATOM 465 CG LEU A 49 -7.734 -6.020 6.623 1.00 0.00 C ATOM 466 CD1 LEU A 49 -7.585 -5.191 5.375 1.00 0.00 C ATOM 467 CD2 LEU A 49 -7.504 -5.172 7.854 1.00 0.00 C ATOM 0 H LEU A 49 -8.703 -9.251 6.505 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.960 -7.318 8.720 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.342 -7.081 5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.844 -5.852 6.859 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.987 -6.813 6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.588 -4.752 5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.728 -5.823 4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.331 -4.397 5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.511 -4.725 7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.255 -4.384 7.898 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.580 -5.796 8.745 1.00 0.00 H new ATOM 479 N SER A 50 -11.291 -7.917 9.016 1.00 0.00 N ATOM 480 CA SER A 50 -12.686 -8.142 9.229 1.00 0.00 C ATOM 481 C SER A 50 -13.294 -6.945 9.978 1.00 0.00 C ATOM 482 O SER A 50 -13.006 -6.738 11.163 1.00 0.00 O ATOM 483 CB SER A 50 -12.907 -9.478 9.960 1.00 0.00 C ATOM 484 OG SER A 50 -12.100 -9.567 11.133 1.00 0.00 O ATOM 0 H SER A 50 -10.785 -7.609 9.847 1.00 0.00 H new ATOM 0 HA SER A 50 -13.201 -8.222 8.272 1.00 0.00 H new ATOM 0 HB2 SER A 50 -13.958 -9.577 10.231 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.671 -10.305 9.290 1.00 0.00 H new ATOM 0 HG SER A 50 -12.096 -8.702 11.593 1.00 0.00 H new ATOM 490 N PRO A 51 -14.092 -6.107 9.312 1.00 0.00 N ATOM 491 CA PRO A 51 -14.434 -6.258 7.897 1.00 0.00 C ATOM 492 C PRO A 51 -13.296 -5.789 6.983 1.00 0.00 C ATOM 493 O PRO A 51 -12.366 -5.095 7.446 1.00 0.00 O ATOM 494 CB PRO A 51 -15.639 -5.336 7.736 1.00 0.00 C ATOM 495 CG PRO A 51 -15.443 -4.266 8.752 1.00 0.00 C ATOM 496 CD PRO A 51 -14.715 -4.906 9.903 1.00 0.00 C ATOM 0 HA PRO A 51 -14.625 -7.296 7.625 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.687 -4.921 6.729 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.572 -5.873 7.904 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -14.866 -3.438 8.339 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -16.400 -3.857 9.076 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.966 -4.235 10.324 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -15.398 -5.168 10.711 1.00 0.00 H new ATOM 504 N PRO A 52 -13.317 -6.200 5.702 1.00 0.00 N ATOM 505 CA PRO A 52 -12.326 -5.760 4.732 1.00 0.00 C ATOM 506 C PRO A 52 -12.451 -4.262 4.480 1.00 0.00 C ATOM 507 O PRO A 52 -13.539 -3.671 4.655 1.00 0.00 O ATOM 508 CB PRO A 52 -12.676 -6.551 3.461 1.00 0.00 C ATOM 509 CG PRO A 52 -14.106 -6.924 3.628 1.00 0.00 C ATOM 510 CD PRO A 52 -14.304 -7.125 5.100 1.00 0.00 C ATOM 0 HA PRO A 52 -11.303 -5.931 5.068 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.526 -5.948 2.566 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.046 -7.435 3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.762 -6.141 3.248 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.341 -7.833 3.074 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.322 -6.883 5.406 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -14.119 -8.158 5.394 1.00 0.00 H new ATOM 518 N TRP A 53 -11.383 -3.654 4.073 1.00 0.00 N ATOM 519 CA TRP A 53 -11.381 -2.236 3.850 1.00 0.00 C ATOM 520 C TRP A 53 -11.763 -1.958 2.442 1.00 0.00 C ATOM 521 O TRP A 53 -11.319 -2.652 1.534 1.00 0.00 O ATOM 522 CB TRP A 53 -10.007 -1.629 4.128 1.00 0.00 C ATOM 523 CG TRP A 53 -9.570 -1.725 5.560 1.00 0.00 C ATOM 524 CD1 TRP A 53 -10.369 -1.867 6.661 1.00 0.00 C ATOM 525 CD2 TRP A 53 -8.230 -1.661 6.050 1.00 0.00 C ATOM 526 NE1 TRP A 53 -9.606 -1.921 7.790 1.00 0.00 N ATOM 527 CE2 TRP A 53 -8.292 -1.784 7.449 1.00 0.00 C ATOM 528 CE3 TRP A 53 -6.983 -1.521 5.447 1.00 0.00 C ATOM 529 CZ2 TRP A 53 -7.158 -1.764 8.249 1.00 0.00 C ATOM 530 CZ3 TRP A 53 -5.861 -1.506 6.247 1.00 0.00 C ATOM 531 CH2 TRP A 53 -5.955 -1.625 7.631 1.00 0.00 C ATOM 0 H TRP A 53 -10.494 -4.117 3.886 1.00 0.00 H new ATOM 0 HA TRP A 53 -12.099 -1.784 4.534 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.268 -2.128 3.500 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -10.020 -0.580 3.833 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.447 -1.928 6.639 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -9.961 -2.044 8.738 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.897 -1.426 4.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.229 -1.855 9.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.888 -1.400 5.791 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.054 -1.607 8.226 1.00 0.00 H new ATOM 542 N THR A 54 -12.587 -0.973 2.248 1.00 0.00 N ATOM 543 CA THR A 54 -12.993 -0.599 0.934 1.00 0.00 C ATOM 544 C THR A 54 -12.628 0.861 0.640 1.00 0.00 C ATOM 545 O THR A 54 -13.448 1.772 0.837 1.00 0.00 O ATOM 546 CB THR A 54 -14.498 -0.867 0.713 1.00 0.00 C ATOM 547 OG1 THR A 54 -15.266 -0.331 1.818 1.00 0.00 O ATOM 548 CG2 THR A 54 -14.754 -2.362 0.599 1.00 0.00 C ATOM 0 H THR A 54 -12.994 -0.410 2.995 1.00 0.00 H new ATOM 0 HA THR A 54 -12.448 -1.222 0.225 1.00 0.00 H new ATOM 0 HB THR A 54 -14.805 -0.378 -0.212 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.013 0.603 1.970 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.818 -2.538 0.443 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.193 -2.764 -0.244 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.435 -2.857 1.516 1.00 0.00 H new ATOM 556 N PRO A 55 -11.356 1.125 0.303 1.00 0.00 N ATOM 557 CA PRO A 55 -10.892 2.455 -0.037 1.00 0.00 C ATOM 558 C PRO A 55 -11.292 2.878 -1.448 1.00 0.00 C ATOM 559 O PRO A 55 -11.629 2.043 -2.307 1.00 0.00 O ATOM 560 CB PRO A 55 -9.377 2.328 0.058 1.00 0.00 C ATOM 561 CG PRO A 55 -9.119 0.934 -0.333 1.00 0.00 C ATOM 562 CD PRO A 55 -10.236 0.151 0.278 1.00 0.00 C ATOM 0 HA PRO A 55 -11.323 3.212 0.619 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.874 3.030 -0.607 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.020 2.533 1.067 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.106 0.824 -1.417 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.151 0.593 0.034 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.482 -0.730 -0.314 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.983 -0.198 1.279 1.00 0.00 H new ATOM 570 N GLY A 56 -11.305 4.161 -1.666 1.00 0.00 N ATOM 571 CA GLY A 56 -11.571 4.688 -2.969 1.00 0.00 C ATOM 572 C GLY A 56 -10.278 4.943 -3.703 1.00 0.00 C ATOM 573 O GLY A 56 -10.210 4.840 -4.924 1.00 0.00 O ATOM 0 H GLY A 56 -11.132 4.866 -0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.186 3.987 -3.534 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.139 5.615 -2.885 1.00 0.00 H new ATOM 577 N SER A 57 -9.243 5.247 -2.955 1.00 0.00 N ATOM 578 CA SER A 57 -7.943 5.497 -3.509 1.00 0.00 C ATOM 579 C SER A 57 -6.881 5.115 -2.494 1.00 0.00 C ATOM 580 O SER A 57 -7.144 5.108 -1.293 1.00 0.00 O ATOM 581 CB SER A 57 -7.803 6.969 -3.987 1.00 0.00 C ATOM 582 OG SER A 57 -8.148 7.911 -2.987 1.00 0.00 O ATOM 0 H SER A 57 -9.285 5.327 -1.939 1.00 0.00 H new ATOM 0 HA SER A 57 -7.805 4.878 -4.396 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.776 7.146 -4.306 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.438 7.124 -4.859 1.00 0.00 H new ATOM 0 HG SER A 57 -9.080 7.775 -2.717 1.00 0.00 H new ATOM 588 N VAL A 58 -5.717 4.751 -2.966 1.00 0.00 N ATOM 589 CA VAL A 58 -4.625 4.340 -2.101 1.00 0.00 C ATOM 590 C VAL A 58 -3.429 5.182 -2.473 1.00 0.00 C ATOM 591 O VAL A 58 -3.245 5.468 -3.643 1.00 0.00 O ATOM 592 CB VAL A 58 -4.275 2.836 -2.320 1.00 0.00 C ATOM 593 CG1 VAL A 58 -3.216 2.366 -1.340 1.00 0.00 C ATOM 594 CG2 VAL A 58 -5.520 1.962 -2.233 1.00 0.00 C ATOM 0 H VAL A 58 -5.492 4.729 -3.961 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.907 4.471 -1.056 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.865 2.739 -3.325 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.995 1.314 -1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.309 2.955 -1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.582 2.491 -0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.244 0.919 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.974 2.073 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.233 2.268 -2.998 1.00 0.00 H new ATOM 604 N CYS A 59 -2.627 5.577 -1.525 1.00 0.00 N ATOM 605 CA CYS A 59 -1.514 6.440 -1.827 1.00 0.00 C ATOM 606 C CYS A 59 -0.334 6.106 -0.927 1.00 0.00 C ATOM 607 O CYS A 59 -0.509 5.808 0.271 1.00 0.00 O ATOM 608 CB CYS A 59 -1.967 7.895 -1.652 1.00 0.00 C ATOM 609 SG CYS A 59 -0.862 9.204 -2.304 1.00 0.00 S ATOM 0 H CYS A 59 -2.719 5.319 -0.542 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.185 6.294 -2.856 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.940 8.005 -2.131 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.114 8.077 -0.587 1.00 0.00 H new ATOM 614 N VAL A 60 0.843 6.100 -1.511 1.00 0.00 N ATOM 615 CA VAL A 60 2.069 5.824 -0.796 1.00 0.00 C ATOM 616 C VAL A 60 2.957 7.053 -0.890 1.00 0.00 C ATOM 617 O VAL A 60 3.226 7.543 -2.007 1.00 0.00 O ATOM 618 CB VAL A 60 2.833 4.600 -1.395 1.00 0.00 C ATOM 619 CG1 VAL A 60 4.102 4.296 -0.602 1.00 0.00 C ATOM 620 CG2 VAL A 60 1.946 3.374 -1.436 1.00 0.00 C ATOM 0 H VAL A 60 0.978 6.288 -2.504 1.00 0.00 H new ATOM 0 HA VAL A 60 1.821 5.586 0.238 1.00 0.00 H new ATOM 0 HB VAL A 60 3.117 4.862 -2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.611 3.439 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.763 5.163 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.840 4.069 0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.502 2.536 -1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.624 3.124 -0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.072 3.578 -2.055 1.00 0.00 H new ATOM 630 N PRO A 61 3.409 7.587 0.252 1.00 0.00 N ATOM 631 CA PRO A 61 4.271 8.766 0.287 1.00 0.00 C ATOM 632 C PRO A 61 5.601 8.496 -0.424 1.00 0.00 C ATOM 633 O PRO A 61 6.114 7.357 -0.417 1.00 0.00 O ATOM 634 CB PRO A 61 4.487 9.014 1.791 1.00 0.00 C ATOM 635 CG PRO A 61 4.209 7.698 2.428 1.00 0.00 C ATOM 636 CD PRO A 61 3.130 7.072 1.601 1.00 0.00 C ATOM 0 HA PRO A 61 3.834 9.624 -0.223 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.504 9.348 1.996 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.816 9.787 2.167 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.102 7.074 2.445 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.888 7.823 3.462 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.175 5.983 1.635 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.137 7.361 1.946 1.00 0.00 H new ATOM 644 N PHE A 62 6.146 9.509 -1.039 1.00 0.00 N ATOM 645 CA PHE A 62 7.349 9.363 -1.796 1.00 0.00 C ATOM 646 C PHE A 62 8.550 9.220 -0.888 1.00 0.00 C ATOM 647 O PHE A 62 8.671 9.887 0.149 1.00 0.00 O ATOM 648 CB PHE A 62 7.526 10.519 -2.797 1.00 0.00 C ATOM 649 CG PHE A 62 8.746 10.396 -3.685 1.00 0.00 C ATOM 650 CD1 PHE A 62 8.958 9.256 -4.452 1.00 0.00 C ATOM 651 CD2 PHE A 62 9.668 11.421 -3.762 1.00 0.00 C ATOM 652 CE1 PHE A 62 10.064 9.148 -5.268 1.00 0.00 C ATOM 653 CE2 PHE A 62 10.774 11.316 -4.577 1.00 0.00 C ATOM 654 CZ PHE A 62 10.973 10.179 -5.331 1.00 0.00 C ATOM 0 H PHE A 62 5.766 10.456 -1.027 1.00 0.00 H new ATOM 0 HA PHE A 62 7.268 8.444 -2.377 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.638 10.578 -3.426 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.587 11.456 -2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.247 8.444 -4.408 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.520 12.316 -3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 62 10.217 8.256 -5.857 1.00 0.00 H new ATOM 0 HE2 PHE A 62 11.487 12.126 -4.625 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.840 10.098 -5.970 1.00 0.00 H new ATOM 664 N VAL A 63 9.388 8.306 -1.236 1.00 0.00 N ATOM 665 CA VAL A 63 10.595 8.085 -0.530 1.00 0.00 C ATOM 666 C VAL A 63 11.732 8.333 -1.494 1.00 0.00 C ATOM 667 O VAL A 63 11.837 7.657 -2.508 1.00 0.00 O ATOM 668 CB VAL A 63 10.649 6.637 0.061 1.00 0.00 C ATOM 669 CG1 VAL A 63 11.974 6.358 0.743 1.00 0.00 C ATOM 670 CG2 VAL A 63 9.495 6.435 1.037 1.00 0.00 C ATOM 0 H VAL A 63 9.249 7.683 -2.032 1.00 0.00 H new ATOM 0 HA VAL A 63 10.669 8.763 0.320 1.00 0.00 H new ATOM 0 HB VAL A 63 10.553 5.932 -0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.972 5.343 1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.784 6.464 0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.120 7.066 1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.537 5.425 1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.574 7.159 1.848 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.548 6.576 0.515 1.00 0.00 H new ATOM 680 N ASN A 64 12.506 9.343 -1.210 1.00 0.00 N ATOM 681 CA ASN A 64 13.681 9.709 -2.008 1.00 0.00 C ATOM 682 C ASN A 64 14.876 9.668 -1.092 1.00 0.00 C ATOM 683 O ASN A 64 15.973 10.155 -1.392 1.00 0.00 O ATOM 684 CB ASN A 64 13.527 11.108 -2.635 1.00 0.00 C ATOM 685 CG ASN A 64 13.339 12.252 -1.639 1.00 0.00 C ATOM 686 OD1 ASN A 64 12.799 12.077 -0.543 1.00 0.00 O ATOM 687 ND2 ASN A 64 13.749 13.428 -2.027 1.00 0.00 N ATOM 0 H ASN A 64 12.350 9.955 -0.409 1.00 0.00 H new ATOM 0 HA ASN A 64 13.800 9.009 -2.835 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.409 11.316 -3.240 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.673 11.093 -3.312 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.627 14.237 -1.418 1.00 0.00 H new ATOM 0 HD22 ASN A 64 14.192 13.538 -2.939 1.00 0.00 H new ATOM 694 N ASP A 65 14.604 9.069 0.026 1.00 0.00 N ATOM 695 CA ASP A 65 15.487 8.840 1.135 1.00 0.00 C ATOM 696 C ASP A 65 16.685 8.018 0.727 1.00 0.00 C ATOM 697 O ASP A 65 16.596 7.180 -0.186 1.00 0.00 O ATOM 698 CB ASP A 65 14.736 8.127 2.263 1.00 0.00 C ATOM 699 CG ASP A 65 13.541 8.906 2.790 1.00 0.00 C ATOM 700 OD1 ASP A 65 13.520 9.229 4.002 1.00 0.00 O ATOM 701 OD2 ASP A 65 12.594 9.201 1.995 1.00 0.00 O ATOM 0 H ASP A 65 13.673 8.692 0.204 1.00 0.00 H new ATOM 0 HA ASP A 65 15.842 9.810 1.484 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.396 7.156 1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 65 15.427 7.939 3.085 1.00 0.00 H new ATOM 706 N THR A 66 17.817 8.301 1.356 1.00 0.00 N ATOM 707 CA THR A 66 19.093 7.590 1.149 1.00 0.00 C ATOM 708 C THR A 66 18.960 6.042 1.430 1.00 0.00 C ATOM 709 O THR A 66 19.882 5.259 1.170 1.00 0.00 O ATOM 710 CB THR A 66 20.144 8.201 2.103 1.00 0.00 C ATOM 711 OG1 THR A 66 19.975 9.641 2.124 1.00 0.00 O ATOM 712 CG2 THR A 66 21.560 7.886 1.632 1.00 0.00 C ATOM 0 H THR A 66 17.886 9.050 2.045 1.00 0.00 H new ATOM 0 HA THR A 66 19.393 7.705 0.107 1.00 0.00 H new ATOM 0 HB THR A 66 20.000 7.775 3.096 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.636 10.039 2.728 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.279 8.328 2.321 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.702 6.806 1.603 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.712 8.299 0.635 1.00 0.00 H new ATOM 720 N LYS A 67 17.810 5.643 1.961 1.00 0.00 N ATOM 721 CA LYS A 67 17.477 4.255 2.235 1.00 0.00 C ATOM 722 C LYS A 67 17.456 3.488 0.919 1.00 0.00 C ATOM 723 O LYS A 67 16.918 3.984 -0.079 1.00 0.00 O ATOM 724 CB LYS A 67 16.082 4.192 2.870 1.00 0.00 C ATOM 725 CG LYS A 67 15.928 5.000 4.152 1.00 0.00 C ATOM 726 CD LYS A 67 16.778 4.441 5.277 1.00 0.00 C ATOM 727 CE LYS A 67 16.655 5.274 6.543 1.00 0.00 C ATOM 728 NZ LYS A 67 15.250 5.421 6.983 1.00 0.00 N ATOM 0 H LYS A 67 17.067 6.293 2.218 1.00 0.00 H new ATOM 0 HA LYS A 67 18.213 3.820 2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.351 4.546 2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.841 3.150 3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.210 6.036 3.964 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.881 5.004 4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.476 3.415 5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.821 4.408 4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.236 4.809 7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.084 6.261 6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.227 5.799 7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.753 6.074 6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.781 4.493 6.963 1.00 0.00 H new ATOM 742 N ARG A 68 18.025 2.301 0.899 1.00 0.00 N ATOM 743 CA ARG A 68 18.080 1.535 -0.339 1.00 0.00 C ATOM 744 C ARG A 68 16.788 0.796 -0.485 1.00 0.00 C ATOM 745 O ARG A 68 16.336 0.519 -1.596 1.00 0.00 O ATOM 746 CB ARG A 68 19.211 0.478 -0.382 1.00 0.00 C ATOM 747 CG ARG A 68 20.637 0.925 -0.065 1.00 0.00 C ATOM 748 CD ARG A 68 20.820 1.259 1.408 1.00 0.00 C ATOM 749 NE ARG A 68 20.296 0.197 2.293 1.00 0.00 N ATOM 750 CZ ARG A 68 20.605 0.048 3.578 1.00 0.00 C ATOM 751 NH1 ARG A 68 21.487 0.869 4.163 1.00 0.00 N ATOM 752 NH2 ARG A 68 20.010 -0.910 4.279 1.00 0.00 N ATOM 0 H ARG A 68 18.450 1.847 1.708 1.00 0.00 H new ATOM 0 HA ARG A 68 18.269 2.252 -1.138 1.00 0.00 H new ATOM 0 HB2 ARG A 68 18.949 -0.317 0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.215 0.037 -1.379 1.00 0.00 H new ATOM 0 HG2 ARG A 68 21.334 0.136 -0.346 1.00 0.00 H new ATOM 0 HG3 ARG A 68 20.885 1.799 -0.668 1.00 0.00 H new ATOM 0 HD2 ARG A 68 21.879 1.412 1.615 1.00 0.00 H new ATOM 0 HD3 ARG A 68 20.313 2.198 1.631 1.00 0.00 H new ATOM 0 HE ARG A 68 19.646 -0.475 1.886 1.00 0.00 H new ATOM 0 HH11 ARG A 68 21.926 1.614 3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 68 21.719 0.749 5.149 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.326 -1.520 3.831 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.237 -1.036 5.265 1.00 0.00 H new ATOM 766 N GLU A 69 16.180 0.476 0.640 1.00 0.00 N ATOM 767 CA GLU A 69 14.955 -0.232 0.605 1.00 0.00 C ATOM 768 C GLU A 69 13.820 0.758 0.740 1.00 0.00 C ATOM 769 O GLU A 69 13.747 1.533 1.708 1.00 0.00 O ATOM 770 CB GLU A 69 14.867 -1.283 1.737 1.00 0.00 C ATOM 771 CG GLU A 69 15.977 -2.354 1.772 1.00 0.00 C ATOM 772 CD GLU A 69 17.270 -1.896 2.426 1.00 0.00 C ATOM 773 OE1 GLU A 69 18.240 -1.587 1.729 1.00 0.00 O ATOM 774 OE2 GLU A 69 17.333 -1.856 3.674 1.00 0.00 O ATOM 0 H GLU A 69 16.525 0.701 1.573 1.00 0.00 H new ATOM 0 HA GLU A 69 14.890 -0.765 -0.343 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.871 -0.757 2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.906 -1.791 1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.604 -3.229 2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.192 -2.670 0.751 1.00 0.00 H new ATOM 781 N ARG A 70 12.934 0.714 -0.198 1.00 0.00 N ATOM 782 CA ARG A 70 11.780 1.568 -0.220 1.00 0.00 C ATOM 783 C ARG A 70 10.578 0.784 0.120 1.00 0.00 C ATOM 784 O ARG A 70 10.543 -0.395 -0.134 1.00 0.00 O ATOM 785 CB ARG A 70 11.590 2.251 -1.579 1.00 0.00 C ATOM 786 CG ARG A 70 12.410 3.505 -1.768 1.00 0.00 C ATOM 787 CD ARG A 70 13.884 3.238 -1.735 1.00 0.00 C ATOM 788 NE ARG A 70 14.289 2.292 -2.801 1.00 0.00 N ATOM 789 CZ ARG A 70 14.643 2.631 -4.046 1.00 0.00 C ATOM 790 NH1 ARG A 70 14.777 3.909 -4.381 1.00 0.00 N ATOM 791 NH2 ARG A 70 14.898 1.688 -4.945 1.00 0.00 N ATOM 0 H ARG A 70 12.987 0.073 -0.989 1.00 0.00 H new ATOM 0 HA ARG A 70 11.936 2.354 0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.846 1.542 -2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.536 2.499 -1.703 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.149 3.966 -2.721 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.156 4.222 -0.987 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.427 4.175 -1.854 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.159 2.831 -0.762 1.00 0.00 H new ATOM 0 HE ARG A 70 14.299 1.299 -2.566 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.610 4.638 -3.688 1.00 0.00 H new ATOM 0 HH12 ARG A 70 15.047 4.161 -5.332 1.00 0.00 H new ATOM 0 HH21 ARG A 70 14.824 0.704 -4.687 1.00 0.00 H new ATOM 0 HH22 ARG A 70 15.168 1.948 -5.894 1.00 0.00 H new ATOM 805 N PRO A 71 9.577 1.402 0.683 1.00 0.00 N ATOM 806 CA PRO A 71 8.370 0.700 1.028 1.00 0.00 C ATOM 807 C PRO A 71 7.514 0.454 -0.222 1.00 0.00 C ATOM 808 O PRO A 71 7.335 1.351 -1.064 1.00 0.00 O ATOM 809 CB PRO A 71 7.691 1.654 2.018 1.00 0.00 C ATOM 810 CG PRO A 71 8.152 3.016 1.619 1.00 0.00 C ATOM 811 CD PRO A 71 9.520 2.837 1.008 1.00 0.00 C ATOM 0 HA PRO A 71 8.538 -0.289 1.454 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.605 1.573 1.963 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.976 1.426 3.045 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.463 3.466 0.905 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.195 3.680 2.482 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.644 3.454 0.118 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.309 3.121 1.704 1.00 0.00 H new ATOM 819 N TYR A 72 7.029 -0.748 -0.350 1.00 0.00 N ATOM 820 CA TYR A 72 6.210 -1.146 -1.457 1.00 0.00 C ATOM 821 C TYR A 72 5.036 -1.893 -0.849 1.00 0.00 C ATOM 822 O TYR A 72 5.225 -2.733 0.026 1.00 0.00 O ATOM 823 CB TYR A 72 7.029 -2.052 -2.402 1.00 0.00 C ATOM 824 CG TYR A 72 6.463 -2.192 -3.802 1.00 0.00 C ATOM 825 CD1 TYR A 72 6.882 -1.340 -4.816 1.00 0.00 C ATOM 826 CD2 TYR A 72 5.524 -3.161 -4.111 1.00 0.00 C ATOM 827 CE1 TYR A 72 6.376 -1.444 -6.100 1.00 0.00 C ATOM 828 CE2 TYR A 72 5.016 -3.275 -5.394 1.00 0.00 C ATOM 829 CZ TYR A 72 5.444 -2.414 -6.384 1.00 0.00 C ATOM 830 OH TYR A 72 4.930 -2.525 -7.667 1.00 0.00 O ATOM 0 H TYR A 72 7.196 -1.493 0.326 1.00 0.00 H new ATOM 0 HA TYR A 72 5.863 -0.300 -2.050 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.042 -1.656 -2.473 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.105 -3.044 -1.956 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.618 -0.580 -4.598 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.183 -3.837 -3.341 1.00 0.00 H new ATOM 0 HE1 TYR A 72 6.711 -0.768 -6.873 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.285 -4.037 -5.620 1.00 0.00 H new ATOM 0 HH TYR A 72 4.284 -3.261 -7.698 1.00 0.00 H new ATOM 840 N TRP A 73 3.856 -1.592 -1.255 1.00 0.00 N ATOM 841 CA TRP A 73 2.707 -2.139 -0.603 1.00 0.00 C ATOM 842 C TRP A 73 1.865 -2.963 -1.544 1.00 0.00 C ATOM 843 O TRP A 73 1.591 -2.551 -2.661 1.00 0.00 O ATOM 844 CB TRP A 73 1.886 -1.007 0.009 1.00 0.00 C ATOM 845 CG TRP A 73 2.607 -0.246 1.099 1.00 0.00 C ATOM 846 CD1 TRP A 73 3.431 0.839 0.958 1.00 0.00 C ATOM 847 CD2 TRP A 73 2.537 -0.513 2.494 1.00 0.00 C ATOM 848 NE1 TRP A 73 3.877 1.252 2.194 1.00 0.00 N ATOM 849 CE2 TRP A 73 3.334 0.439 3.154 1.00 0.00 C ATOM 850 CE3 TRP A 73 1.869 -1.466 3.248 1.00 0.00 C ATOM 851 CZ2 TRP A 73 3.473 0.458 4.541 1.00 0.00 C ATOM 852 CZ3 TRP A 73 1.994 -1.450 4.609 1.00 0.00 C ATOM 853 CH2 TRP A 73 2.789 -0.492 5.251 1.00 0.00 C ATOM 0 H TRP A 73 3.653 -0.969 -2.037 1.00 0.00 H new ATOM 0 HA TRP A 73 3.047 -2.810 0.186 1.00 0.00 H new ATOM 0 HB2 TRP A 73 1.602 -0.310 -0.780 1.00 0.00 H new ATOM 0 HB3 TRP A 73 0.964 -1.420 0.417 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.692 1.302 0.018 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.508 2.035 2.366 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.256 -2.213 2.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.094 1.191 5.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.471 -2.188 5.199 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.864 -0.503 6.328 1.00 0.00 H new ATOM 864 N TYR A 74 1.483 -4.122 -1.099 1.00 0.00 N ATOM 865 CA TYR A 74 0.631 -5.005 -1.851 1.00 0.00 C ATOM 866 C TYR A 74 -0.708 -5.142 -1.176 1.00 0.00 C ATOM 867 O TYR A 74 -0.785 -5.245 0.045 1.00 0.00 O ATOM 868 CB TYR A 74 1.263 -6.378 -2.034 1.00 0.00 C ATOM 869 CG TYR A 74 2.278 -6.466 -3.147 1.00 0.00 C ATOM 870 CD1 TYR A 74 1.877 -6.543 -4.475 1.00 0.00 C ATOM 871 CD2 TYR A 74 3.625 -6.503 -2.879 1.00 0.00 C ATOM 872 CE1 TYR A 74 2.791 -6.656 -5.495 1.00 0.00 C ATOM 873 CE2 TYR A 74 4.553 -6.612 -3.891 1.00 0.00 C ATOM 874 CZ TYR A 74 4.134 -6.690 -5.196 1.00 0.00 C ATOM 875 OH TYR A 74 5.065 -6.816 -6.203 1.00 0.00 O ATOM 0 H TYR A 74 1.757 -4.491 -0.188 1.00 0.00 H new ATOM 0 HA TYR A 74 0.494 -4.565 -2.839 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.744 -6.668 -1.100 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.472 -7.104 -2.225 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.824 -6.513 -4.711 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.963 -6.445 -1.855 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.459 -6.717 -6.521 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.607 -6.636 -3.658 1.00 0.00 H new ATOM 0 HH TYR A 74 5.966 -6.822 -5.817 1.00 0.00 H new ATOM 885 N LEU A 75 -1.744 -5.193 -1.964 1.00 0.00 N ATOM 886 CA LEU A 75 -3.097 -5.259 -1.459 1.00 0.00 C ATOM 887 C LEU A 75 -3.749 -6.462 -2.098 1.00 0.00 C ATOM 888 O LEU A 75 -3.492 -6.744 -3.280 1.00 0.00 O ATOM 889 CB LEU A 75 -3.863 -4.000 -1.911 1.00 0.00 C ATOM 890 CG LEU A 75 -3.132 -2.652 -1.756 1.00 0.00 C ATOM 891 CD1 LEU A 75 -3.972 -1.519 -2.294 1.00 0.00 C ATOM 892 CD2 LEU A 75 -2.759 -2.380 -0.316 1.00 0.00 C ATOM 0 H LEU A 75 -1.679 -5.190 -2.982 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.104 -5.326 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.131 -4.123 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.795 -3.948 -1.348 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.212 -2.717 -2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.435 -0.578 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.176 -1.687 -3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.913 -1.472 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.246 -1.421 -0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.661 -2.353 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.101 -3.170 0.045 1.00 0.00 H new ATOM 904 N PHE A 76 -4.568 -7.164 -1.337 1.00 0.00 N ATOM 905 CA PHE A 76 -5.205 -8.388 -1.794 1.00 0.00 C ATOM 906 C PHE A 76 -6.662 -8.380 -1.428 1.00 0.00 C ATOM 907 O PHE A 76 -7.033 -7.915 -0.342 1.00 0.00 O ATOM 908 CB PHE A 76 -4.546 -9.608 -1.145 1.00 0.00 C ATOM 909 CG PHE A 76 -3.083 -9.717 -1.410 1.00 0.00 C ATOM 910 CD1 PHE A 76 -2.170 -9.089 -0.580 1.00 0.00 C ATOM 911 CD2 PHE A 76 -2.617 -10.430 -2.491 1.00 0.00 C ATOM 912 CE1 PHE A 76 -0.830 -9.169 -0.832 1.00 0.00 C ATOM 913 CE2 PHE A 76 -1.276 -10.518 -2.737 1.00 0.00 C ATOM 914 CZ PHE A 76 -0.379 -9.885 -1.911 1.00 0.00 C ATOM 0 H PHE A 76 -4.812 -6.902 -0.382 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.093 -8.444 -2.877 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.708 -9.566 -0.068 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.039 -10.510 -1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.521 -8.530 0.275 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.316 -10.923 -3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.127 -8.669 -0.182 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.920 -11.087 -3.583 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.680 -9.951 -2.111 1.00 0.00 H new ATOM 924 N ASP A 77 -7.489 -8.904 -2.302 1.00 0.00 N ATOM 925 CA ASP A 77 -8.928 -8.932 -2.058 1.00 0.00 C ATOM 926 C ASP A 77 -9.341 -10.130 -1.215 1.00 0.00 C ATOM 927 O ASP A 77 -10.499 -10.243 -0.816 1.00 0.00 O ATOM 928 CB ASP A 77 -9.761 -8.866 -3.353 1.00 0.00 C ATOM 929 CG ASP A 77 -9.905 -10.163 -4.109 1.00 0.00 C ATOM 930 OD1 ASP A 77 -8.901 -10.782 -4.470 1.00 0.00 O ATOM 931 OD2 ASP A 77 -11.054 -10.543 -4.424 1.00 0.00 O ATOM 0 H ASP A 77 -7.200 -9.318 -3.188 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.145 -8.026 -1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.757 -8.501 -3.103 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.308 -8.129 -4.016 1.00 0.00 H new ATOM 936 N ASN A 78 -8.412 -11.024 -0.923 1.00 0.00 N ATOM 937 CA ASN A 78 -8.714 -12.123 -0.031 1.00 0.00 C ATOM 938 C ASN A 78 -7.676 -12.160 1.074 1.00 0.00 C ATOM 939 O ASN A 78 -6.683 -11.452 0.989 1.00 0.00 O ATOM 940 CB ASN A 78 -8.806 -13.462 -0.762 1.00 0.00 C ATOM 941 CG ASN A 78 -9.646 -14.441 0.029 1.00 0.00 C ATOM 942 OD1 ASN A 78 -9.145 -15.258 0.801 1.00 0.00 O ATOM 943 ND2 ASN A 78 -10.922 -14.293 -0.078 1.00 0.00 N ATOM 0 H ASN A 78 -7.458 -11.010 -1.285 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.700 -11.956 0.402 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.242 -13.314 -1.750 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.807 -13.870 -0.913 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.551 -14.863 0.488 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.303 -13.606 -0.728 1.00 0.00 H new ATOM 950 N VAL A 79 -7.919 -12.935 2.120 1.00 0.00 N ATOM 951 CA VAL A 79 -7.028 -13.001 3.272 1.00 0.00 C ATOM 952 C VAL A 79 -5.764 -13.764 2.955 1.00 0.00 C ATOM 953 O VAL A 79 -5.672 -14.430 1.924 1.00 0.00 O ATOM 954 CB VAL A 79 -7.697 -13.664 4.511 1.00 0.00 C ATOM 955 CG1 VAL A 79 -8.885 -12.861 4.989 1.00 0.00 C ATOM 956 CG2 VAL A 79 -8.095 -15.108 4.216 1.00 0.00 C ATOM 0 H VAL A 79 -8.739 -13.537 2.196 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.789 -11.965 3.511 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.961 -13.678 5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.330 -13.350 5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.559 -11.859 5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.624 -12.794 4.191 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.560 -15.545 5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.802 -15.128 3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.208 -15.683 3.951 1.00 0.00 H new ATOM 966 N ASN A 80 -4.799 -13.650 3.848 1.00 0.00 N ATOM 967 CA ASN A 80 -3.521 -14.360 3.765 1.00 0.00 C ATOM 968 C ASN A 80 -2.783 -14.108 2.473 1.00 0.00 C ATOM 969 O ASN A 80 -2.025 -14.955 1.994 1.00 0.00 O ATOM 970 CB ASN A 80 -3.687 -15.856 4.043 1.00 0.00 C ATOM 971 CG ASN A 80 -3.959 -16.127 5.501 1.00 0.00 C ATOM 972 OD1 ASN A 80 -3.029 -16.239 6.301 1.00 0.00 O ATOM 973 ND2 ASN A 80 -5.213 -16.261 5.865 1.00 0.00 N ATOM 0 H ASN A 80 -4.876 -13.051 4.670 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.893 -13.945 4.553 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.506 -16.249 3.441 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.784 -16.385 3.737 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.443 -16.465 6.838 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.958 -16.162 5.175 1.00 0.00 H new ATOM 980 N TYR A 81 -2.980 -12.905 1.945 1.00 0.00 N ATOM 981 CA TYR A 81 -2.303 -12.410 0.757 1.00 0.00 C ATOM 982 C TYR A 81 -2.654 -13.257 -0.460 1.00 0.00 C ATOM 983 O TYR A 81 -1.790 -13.582 -1.278 1.00 0.00 O ATOM 984 CB TYR A 81 -0.774 -12.381 0.968 1.00 0.00 C ATOM 985 CG TYR A 81 -0.320 -11.751 2.278 1.00 0.00 C ATOM 986 CD1 TYR A 81 0.776 -12.256 2.960 1.00 0.00 C ATOM 987 CD2 TYR A 81 -0.990 -10.674 2.838 1.00 0.00 C ATOM 988 CE1 TYR A 81 1.194 -11.705 4.145 1.00 0.00 C ATOM 989 CE2 TYR A 81 -0.578 -10.124 4.026 1.00 0.00 C ATOM 990 CZ TYR A 81 0.517 -10.639 4.676 1.00 0.00 C ATOM 991 OH TYR A 81 0.941 -10.079 5.863 1.00 0.00 O ATOM 0 H TYR A 81 -3.633 -12.231 2.344 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.645 -11.391 0.577 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.396 -13.402 0.923 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.318 -11.835 0.142 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.311 -13.100 2.551 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.850 -10.261 2.331 1.00 0.00 H new ATOM 0 HE1 TYR A 81 2.054 -12.110 4.657 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.114 -9.287 4.449 1.00 0.00 H new ATOM 0 HH TYR A 81 0.353 -9.332 6.101 1.00 0.00 H new ATOM 1001 N THR A 82 -3.907 -13.597 -0.588 1.00 0.00 N ATOM 1002 CA THR A 82 -4.342 -14.379 -1.715 1.00 0.00 C ATOM 1003 C THR A 82 -5.357 -13.595 -2.535 1.00 0.00 C ATOM 1004 O THR A 82 -5.930 -12.600 -2.049 1.00 0.00 O ATOM 1005 CB THR A 82 -4.957 -15.734 -1.273 1.00 0.00 C ATOM 1006 OG1 THR A 82 -6.077 -15.512 -0.417 1.00 0.00 O ATOM 1007 CG2 THR A 82 -3.949 -16.576 -0.527 1.00 0.00 C ATOM 0 H THR A 82 -4.644 -13.346 0.071 1.00 0.00 H new ATOM 0 HA THR A 82 -3.465 -14.593 -2.325 1.00 0.00 H new ATOM 0 HB THR A 82 -5.268 -16.260 -2.176 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.801 -14.964 0.347 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.410 -17.518 -0.231 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.094 -16.777 -1.173 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.614 -16.041 0.362 1.00 0.00 H new ATOM 1015 N GLY A 83 -5.555 -14.010 -3.755 1.00 0.00 N ATOM 1016 CA GLY A 83 -6.521 -13.388 -4.598 1.00 0.00 C ATOM 1017 C GLY A 83 -5.893 -12.375 -5.505 1.00 0.00 C ATOM 1018 O GLY A 83 -4.750 -12.551 -5.959 1.00 0.00 O ATOM 0 H GLY A 83 -5.051 -14.785 -4.186 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.026 -14.147 -5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.282 -12.906 -3.985 1.00 0.00 H new ATOM 1022 N ARG A 84 -6.610 -11.317 -5.745 1.00 0.00 N ATOM 1023 CA ARG A 84 -6.179 -10.249 -6.620 1.00 0.00 C ATOM 1024 C ARG A 84 -5.088 -9.464 -5.943 1.00 0.00 C ATOM 1025 O ARG A 84 -5.140 -9.248 -4.735 1.00 0.00 O ATOM 1026 CB ARG A 84 -7.363 -9.361 -6.939 1.00 0.00 C ATOM 1027 CG ARG A 84 -8.429 -10.060 -7.745 1.00 0.00 C ATOM 1028 CD ARG A 84 -9.725 -9.271 -7.746 1.00 0.00 C ATOM 1029 NE ARG A 84 -10.757 -9.878 -8.601 1.00 0.00 N ATOM 1030 CZ ARG A 84 -11.991 -10.260 -8.192 1.00 0.00 C ATOM 1031 NH1 ARG A 84 -12.263 -10.436 -6.890 1.00 0.00 N ATOM 1032 NH2 ARG A 84 -12.929 -10.536 -9.089 1.00 0.00 N ATOM 0 H ARG A 84 -7.530 -11.162 -5.333 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.787 -10.657 -7.552 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.799 -8.999 -6.008 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.015 -8.486 -7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.083 -10.196 -8.770 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.606 -11.054 -7.334 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.101 -9.197 -6.726 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.527 -8.255 -8.088 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.524 -10.023 -9.583 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.536 -10.282 -6.192 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.197 -10.724 -6.599 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.721 -10.460 -10.085 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.858 -10.824 -8.783 1.00 0.00 H new ATOM 1046 N ILE A 85 -4.120 -9.026 -6.700 1.00 0.00 N ATOM 1047 CA ILE A 85 -2.974 -8.392 -6.113 1.00 0.00 C ATOM 1048 C ILE A 85 -2.736 -7.008 -6.718 1.00 0.00 C ATOM 1049 O ILE A 85 -2.880 -6.798 -7.933 1.00 0.00 O ATOM 1050 CB ILE A 85 -1.706 -9.293 -6.269 1.00 0.00 C ATOM 1051 CG1 ILE A 85 -0.535 -8.723 -5.482 1.00 0.00 C ATOM 1052 CG2 ILE A 85 -1.312 -9.429 -7.733 1.00 0.00 C ATOM 1053 CD1 ILE A 85 0.699 -9.600 -5.506 1.00 0.00 C ATOM 0 H ILE A 85 -4.102 -9.096 -7.717 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.172 -8.259 -5.049 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.954 -10.278 -5.875 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.281 -7.743 -5.885 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.843 -8.573 -4.447 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.427 -10.060 -7.815 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.133 -9.881 -8.290 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.093 -8.443 -8.144 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.491 -9.129 -4.924 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.462 -10.573 -5.076 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.033 -9.730 -6.535 1.00 0.00 H new ATOM 1065 N THR A 86 -2.447 -6.074 -5.877 1.00 0.00 N ATOM 1066 CA THR A 86 -2.124 -4.737 -6.302 1.00 0.00 C ATOM 1067 C THR A 86 -0.855 -4.278 -5.600 1.00 0.00 C ATOM 1068 O THR A 86 -0.798 -4.310 -4.388 1.00 0.00 O ATOM 1069 CB THR A 86 -3.304 -3.778 -6.013 1.00 0.00 C ATOM 1070 OG1 THR A 86 -4.475 -4.251 -6.690 1.00 0.00 O ATOM 1071 CG2 THR A 86 -3.001 -2.369 -6.471 1.00 0.00 C ATOM 0 H THR A 86 -2.426 -6.208 -4.866 1.00 0.00 H new ATOM 0 HA THR A 86 -1.950 -4.729 -7.378 1.00 0.00 H new ATOM 0 HB THR A 86 -3.467 -3.758 -4.935 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.056 -4.716 -6.052 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.852 -1.724 -6.252 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.120 -1.998 -5.947 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.812 -2.368 -7.545 1.00 0.00 H new ATOM 1079 N GLY A 87 0.147 -3.901 -6.356 1.00 0.00 N ATOM 1080 CA GLY A 87 1.382 -3.448 -5.773 1.00 0.00 C ATOM 1081 C GLY A 87 1.646 -1.989 -6.041 1.00 0.00 C ATOM 1082 O GLY A 87 1.735 -1.574 -7.193 1.00 0.00 O ATOM 0 H GLY A 87 0.130 -3.900 -7.376 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.355 -3.617 -4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.206 -4.042 -6.169 1.00 0.00 H new ATOM 1086 N LEU A 88 1.757 -1.223 -4.989 1.00 0.00 N ATOM 1087 CA LEU A 88 2.019 0.205 -5.056 1.00 0.00 C ATOM 1088 C LEU A 88 3.397 0.522 -4.560 1.00 0.00 C ATOM 1089 O LEU A 88 3.907 -0.145 -3.659 1.00 0.00 O ATOM 1090 CB LEU A 88 0.977 1.000 -4.258 1.00 0.00 C ATOM 1091 CG LEU A 88 -0.199 1.572 -5.051 1.00 0.00 C ATOM 1092 CD1 LEU A 88 0.269 2.701 -5.946 1.00 0.00 C ATOM 1093 CD2 LEU A 88 -0.854 0.494 -5.883 1.00 0.00 C ATOM 0 H LEU A 88 1.667 -1.575 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 88 1.949 0.500 -6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.579 0.352 -3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.486 1.825 -3.760 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.931 1.961 -4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.579 3.098 -6.504 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.705 3.492 -5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.019 2.326 -6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.688 0.921 -6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.126 0.080 -6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.221 -0.297 -5.229 1.00 0.00 H new ATOM 1105 N GLY A 89 3.984 1.540 -5.130 1.00 0.00 N ATOM 1106 CA GLY A 89 5.310 1.918 -4.769 1.00 0.00 C ATOM 1107 C GLY A 89 5.380 3.332 -4.264 1.00 0.00 C ATOM 1108 O GLY A 89 4.411 4.095 -4.390 1.00 0.00 O ATOM 0 H GLY A 89 3.555 2.121 -5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.682 1.241 -4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.965 1.810 -5.634 1.00 0.00 H new ATOM 1112 N HIS A 90 6.517 3.667 -3.694 1.00 0.00 N ATOM 1113 CA HIS A 90 6.793 4.987 -3.132 1.00 0.00 C ATOM 1114 C HIS A 90 6.571 6.109 -4.155 1.00 0.00 C ATOM 1115 O HIS A 90 7.169 6.117 -5.232 1.00 0.00 O ATOM 1116 CB HIS A 90 8.247 5.048 -2.551 1.00 0.00 C ATOM 1117 CG HIS A 90 9.377 4.773 -3.550 1.00 0.00 C ATOM 1118 ND1 HIS A 90 10.451 5.627 -3.787 1.00 0.00 N ATOM 1119 CD2 HIS A 90 9.592 3.697 -4.352 1.00 0.00 C ATOM 1120 CE1 HIS A 90 11.241 5.055 -4.698 1.00 0.00 C ATOM 1121 NE2 HIS A 90 10.767 3.883 -5.071 1.00 0.00 N ATOM 0 H HIS A 90 7.299 3.019 -3.602 1.00 0.00 H new ATOM 0 HA HIS A 90 6.084 5.146 -2.320 1.00 0.00 H new ATOM 0 HB2 HIS A 90 8.403 6.036 -2.117 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.323 4.327 -1.737 1.00 0.00 H new ATOM 0 HD1 HIS A 90 10.607 6.532 -3.342 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.949 2.832 -4.420 1.00 0.00 H new ATOM 0 HE1 HIS A 90 12.150 5.495 -5.080 1.00 0.00 H new ATOM 1129 N GLY A 91 5.694 7.031 -3.820 1.00 0.00 N ATOM 1130 CA GLY A 91 5.450 8.170 -4.674 1.00 0.00 C ATOM 1131 C GLY A 91 4.441 7.892 -5.752 1.00 0.00 C ATOM 1132 O GLY A 91 4.317 8.657 -6.700 1.00 0.00 O ATOM 0 H GLY A 91 5.140 7.013 -2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 91 5.102 9.005 -4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.388 8.480 -5.134 1.00 0.00 H new ATOM 1136 N THR A 92 3.748 6.795 -5.638 1.00 0.00 N ATOM 1137 CA THR A 92 2.722 6.464 -6.568 1.00 0.00 C ATOM 1138 C THR A 92 1.448 6.214 -5.782 1.00 0.00 C ATOM 1139 O THR A 92 1.494 5.712 -4.648 1.00 0.00 O ATOM 1140 CB THR A 92 3.114 5.204 -7.361 1.00 0.00 C ATOM 1141 OG1 THR A 92 4.433 5.394 -7.906 1.00 0.00 O ATOM 1142 CG2 THR A 92 2.139 4.947 -8.509 1.00 0.00 C ATOM 0 H THR A 92 3.883 6.109 -4.895 1.00 0.00 H new ATOM 0 HA THR A 92 2.575 7.277 -7.279 1.00 0.00 H new ATOM 0 HB THR A 92 3.088 4.347 -6.688 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.696 4.597 -8.412 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.442 4.051 -9.050 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.135 4.807 -8.109 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.143 5.800 -9.188 1.00 0.00 H new ATOM 1150 N CYS A 93 0.335 6.564 -6.352 1.00 0.00 N ATOM 1151 CA CYS A 93 -0.931 6.410 -5.698 1.00 0.00 C ATOM 1152 C CYS A 93 -1.953 6.039 -6.733 1.00 0.00 C ATOM 1153 O CYS A 93 -1.765 6.295 -7.920 1.00 0.00 O ATOM 1154 CB CYS A 93 -1.339 7.716 -5.005 1.00 0.00 C ATOM 1155 SG CYS A 93 0.010 8.445 -3.975 1.00 0.00 S ATOM 0 H CYS A 93 0.278 6.966 -7.288 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.861 5.631 -4.939 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -1.643 8.441 -5.760 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.208 7.529 -4.374 1.00 0.00 H new ATOM 1160 N ILE A 94 -2.985 5.411 -6.311 1.00 0.00 N ATOM 1161 CA ILE A 94 -4.034 5.014 -7.185 1.00 0.00 C ATOM 1162 C ILE A 94 -5.080 6.086 -7.177 1.00 0.00 C ATOM 1163 O ILE A 94 -5.566 6.468 -6.110 1.00 0.00 O ATOM 1164 CB ILE A 94 -4.685 3.724 -6.712 1.00 0.00 C ATOM 1165 CG1 ILE A 94 -3.650 2.641 -6.508 1.00 0.00 C ATOM 1166 CG2 ILE A 94 -5.728 3.261 -7.725 1.00 0.00 C ATOM 1167 CD1 ILE A 94 -4.233 1.332 -6.014 1.00 0.00 C ATOM 0 H ILE A 94 -3.132 5.152 -5.335 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.618 4.857 -8.180 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.173 3.919 -5.757 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.129 2.465 -7.449 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.906 2.991 -5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.188 2.336 -7.377 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.494 4.029 -7.835 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.248 3.087 -8.688 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.434 0.601 -5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.729 1.493 -5.057 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.956 0.959 -6.739 1.00 0.00 H new ATOM 1179 N ASP A 95 -5.410 6.564 -8.327 1.00 0.00 N ATOM 1180 CA ASP A 95 -6.427 7.589 -8.480 1.00 0.00 C ATOM 1181 C ASP A 95 -7.802 7.017 -8.184 1.00 0.00 C ATOM 1182 O ASP A 95 -8.581 7.591 -7.418 1.00 0.00 O ATOM 1183 CB ASP A 95 -6.386 8.195 -9.888 1.00 0.00 C ATOM 1184 CG ASP A 95 -5.129 8.995 -10.165 1.00 0.00 C ATOM 1185 OD1 ASP A 95 -4.022 8.420 -10.212 1.00 0.00 O ATOM 1186 OD2 ASP A 95 -5.228 10.216 -10.375 1.00 0.00 O ATOM 0 H ASP A 95 -4.988 6.263 -9.205 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.220 8.385 -7.765 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.466 7.394 -10.622 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.255 8.840 -10.023 1.00 0.00 H new ATOM 1191 N ASP A 96 -8.080 5.859 -8.755 1.00 0.00 N ATOM 1192 CA ASP A 96 -9.359 5.201 -8.567 1.00 0.00 C ATOM 1193 C ASP A 96 -9.152 3.740 -8.239 1.00 0.00 C ATOM 1194 O ASP A 96 -9.011 2.905 -9.147 1.00 0.00 O ATOM 1195 CB ASP A 96 -10.244 5.247 -9.812 1.00 0.00 C ATOM 1196 CG ASP A 96 -10.634 6.602 -10.339 1.00 0.00 C ATOM 1197 OD1 ASP A 96 -9.772 7.302 -10.895 1.00 0.00 O ATOM 1198 OD2 ASP A 96 -11.844 6.935 -10.308 1.00 0.00 O ATOM 0 H ASP A 96 -7.431 5.352 -9.357 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.849 5.739 -7.756 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.730 4.711 -10.610 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.158 4.695 -9.595 1.00 0.00 H new ATOM 1203 N PHE A 97 -9.108 3.410 -6.970 1.00 0.00 N ATOM 1204 CA PHE A 97 -8.933 2.023 -6.552 1.00 0.00 C ATOM 1205 C PHE A 97 -10.132 1.182 -6.976 1.00 0.00 C ATOM 1206 O PHE A 97 -10.000 0.033 -7.349 1.00 0.00 O ATOM 1207 CB PHE A 97 -8.680 1.919 -5.047 1.00 0.00 C ATOM 1208 CG PHE A 97 -8.372 0.526 -4.594 1.00 0.00 C ATOM 1209 CD1 PHE A 97 -9.208 -0.144 -3.731 1.00 0.00 C ATOM 1210 CD2 PHE A 97 -7.243 -0.114 -5.056 1.00 0.00 C ATOM 1211 CE1 PHE A 97 -8.915 -1.429 -3.333 1.00 0.00 C ATOM 1212 CE2 PHE A 97 -6.944 -1.394 -4.665 1.00 0.00 C ATOM 1213 CZ PHE A 97 -7.780 -2.053 -3.804 1.00 0.00 C ATOM 0 H PHE A 97 -9.190 4.077 -6.203 1.00 0.00 H new ATOM 0 HA PHE A 97 -8.049 1.628 -7.052 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.850 2.573 -4.779 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.557 2.282 -4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -10.100 0.341 -3.363 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.582 0.401 -5.738 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -9.574 -1.948 -2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.053 -1.880 -5.035 1.00 0.00 H new ATOM 0 HZ PHE A 97 -7.550 -3.062 -3.494 1.00 0.00 H new ATOM 1223 N THR A 98 -11.278 1.819 -7.004 1.00 0.00 N ATOM 1224 CA THR A 98 -12.532 1.183 -7.357 1.00 0.00 C ATOM 1225 C THR A 98 -12.522 0.670 -8.831 1.00 0.00 C ATOM 1226 O THR A 98 -13.234 -0.273 -9.183 1.00 0.00 O ATOM 1227 CB THR A 98 -13.717 2.176 -7.107 1.00 0.00 C ATOM 1228 OG1 THR A 98 -14.964 1.593 -7.463 1.00 0.00 O ATOM 1229 CG2 THR A 98 -13.532 3.479 -7.877 1.00 0.00 C ATOM 0 H THR A 98 -11.371 2.810 -6.779 1.00 0.00 H new ATOM 0 HA THR A 98 -12.667 0.308 -6.721 1.00 0.00 H new ATOM 0 HB THR A 98 -13.718 2.397 -6.040 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.685 2.235 -7.295 1.00 0.00 H new ATOM 0 HG21 THR A 98 -14.374 4.142 -7.678 1.00 0.00 H new ATOM 0 HG22 THR A 98 -12.608 3.961 -7.559 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.482 3.267 -8.945 1.00 0.00 H new ATOM 1237 N LYS A 99 -11.668 1.257 -9.666 1.00 0.00 N ATOM 1238 CA LYS A 99 -11.579 0.870 -11.069 1.00 0.00 C ATOM 1239 C LYS A 99 -10.494 -0.203 -11.244 1.00 0.00 C ATOM 1240 O LYS A 99 -10.330 -0.770 -12.322 1.00 0.00 O ATOM 1241 CB LYS A 99 -11.239 2.089 -11.937 1.00 0.00 C ATOM 1242 CG LYS A 99 -12.101 3.318 -11.666 1.00 0.00 C ATOM 1243 CD LYS A 99 -13.558 3.144 -12.008 1.00 0.00 C ATOM 1244 CE LYS A 99 -14.375 4.372 -11.564 1.00 0.00 C ATOM 1245 NZ LYS A 99 -13.814 5.662 -12.061 1.00 0.00 N ATOM 0 H LYS A 99 -11.028 2.003 -9.394 1.00 0.00 H new ATOM 0 HA LYS A 99 -12.542 0.469 -11.383 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.193 2.352 -11.778 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.342 1.812 -12.986 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.017 3.580 -10.611 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.704 4.158 -12.236 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.669 2.997 -13.082 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.946 2.249 -11.522 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.399 4.267 -11.921 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.418 4.397 -10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.583 6.353 -12.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.122 6.026 -11.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.346 5.507 -12.977 1.00 0.00 H new ATOM 1259 N SER A 100 -9.766 -0.483 -10.169 1.00 0.00 N ATOM 1260 CA SER A 100 -8.665 -1.448 -10.189 1.00 0.00 C ATOM 1261 C SER A 100 -9.165 -2.891 -9.978 1.00 0.00 C ATOM 1262 O SER A 100 -8.379 -3.816 -9.721 1.00 0.00 O ATOM 1263 CB SER A 100 -7.632 -1.061 -9.130 1.00 0.00 C ATOM 1264 OG SER A 100 -7.137 0.262 -9.372 1.00 0.00 O ATOM 0 H SER A 100 -9.919 -0.050 -9.258 1.00 0.00 H new ATOM 0 HA SER A 100 -8.197 -1.420 -11.173 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.082 -1.112 -8.139 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.806 -1.772 -9.142 1.00 0.00 H new ATOM 0 HG SER A 100 -7.859 0.911 -9.237 1.00 0.00 H new ATOM 1270 N GLY A 101 -10.459 -3.073 -10.091 1.00 0.00 N ATOM 1271 CA GLY A 101 -11.032 -4.371 -9.956 1.00 0.00 C ATOM 1272 C GLY A 101 -11.713 -4.536 -8.649 1.00 0.00 C ATOM 1273 O GLY A 101 -12.937 -4.419 -8.556 1.00 0.00 O ATOM 0 H GLY A 101 -11.130 -2.328 -10.277 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.746 -4.539 -10.762 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.252 -5.126 -10.058 1.00 0.00 H new ATOM 1277 N PHE A 102 -10.947 -4.774 -7.639 1.00 0.00 N ATOM 1278 CA PHE A 102 -11.490 -4.985 -6.331 1.00 0.00 C ATOM 1279 C PHE A 102 -11.362 -3.723 -5.532 1.00 0.00 C ATOM 1280 O PHE A 102 -10.433 -2.952 -5.740 1.00 0.00 O ATOM 1281 CB PHE A 102 -10.792 -6.158 -5.615 1.00 0.00 C ATOM 1282 CG PHE A 102 -9.320 -5.961 -5.291 1.00 0.00 C ATOM 1283 CD1 PHE A 102 -8.918 -5.662 -3.998 1.00 0.00 C ATOM 1284 CD2 PHE A 102 -8.349 -6.100 -6.265 1.00 0.00 C ATOM 1285 CE1 PHE A 102 -7.584 -5.508 -3.690 1.00 0.00 C ATOM 1286 CE2 PHE A 102 -7.014 -5.940 -5.959 1.00 0.00 C ATOM 1287 CZ PHE A 102 -6.633 -5.646 -4.669 1.00 0.00 C ATOM 0 H PHE A 102 -9.930 -4.829 -7.691 1.00 0.00 H new ATOM 0 HA PHE A 102 -12.544 -5.247 -6.427 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -11.324 -6.359 -4.685 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -10.891 -7.048 -6.237 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.661 -5.548 -3.222 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -8.639 -6.337 -7.278 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.287 -5.279 -2.677 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -6.267 -6.045 -6.732 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.587 -5.524 -4.428 1.00 0.00 H new ATOM 1297 N LYS A 103 -12.304 -3.490 -4.664 1.00 0.00 N ATOM 1298 CA LYS A 103 -12.237 -2.329 -3.803 1.00 0.00 C ATOM 1299 C LYS A 103 -12.050 -2.783 -2.359 1.00 0.00 C ATOM 1300 O LYS A 103 -11.723 -1.995 -1.487 1.00 0.00 O ATOM 1301 CB LYS A 103 -13.510 -1.448 -3.912 1.00 0.00 C ATOM 1302 CG LYS A 103 -14.716 -1.902 -3.059 1.00 0.00 C ATOM 1303 CD LYS A 103 -15.264 -3.257 -3.458 1.00 0.00 C ATOM 1304 CE LYS A 103 -16.205 -3.789 -2.401 1.00 0.00 C ATOM 1305 NZ LYS A 103 -16.736 -5.118 -2.748 1.00 0.00 N ATOM 0 H LYS A 103 -13.125 -4.080 -4.529 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.390 -1.723 -4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.250 -0.429 -3.626 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.819 -1.417 -4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.418 -1.934 -2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.510 -1.159 -3.142 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.788 -3.176 -4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.442 -3.958 -3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.682 -3.846 -1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -17.033 -3.092 -2.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.376 -5.443 -1.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.258 -5.060 -3.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.949 -5.791 -2.848 1.00 0.00 H new ATOM 1319 N GLY A 104 -12.276 -4.058 -2.128 1.00 0.00 N ATOM 1320 CA GLY A 104 -12.228 -4.587 -0.809 1.00 0.00 C ATOM 1321 C GLY A 104 -10.970 -5.330 -0.568 1.00 0.00 C ATOM 1322 O GLY A 104 -10.753 -6.393 -1.140 1.00 0.00 O ATOM 0 H GLY A 104 -12.496 -4.742 -2.852 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.317 -3.775 -0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.079 -5.249 -0.650 1.00 0.00 H new ATOM 1326 N ILE A 105 -10.137 -4.776 0.254 1.00 0.00 N ATOM 1327 CA ILE A 105 -8.890 -5.389 0.572 1.00 0.00 C ATOM 1328 C ILE A 105 -9.086 -6.216 1.819 1.00 0.00 C ATOM 1329 O ILE A 105 -9.458 -5.691 2.876 1.00 0.00 O ATOM 1330 CB ILE A 105 -7.831 -4.287 0.815 1.00 0.00 C ATOM 1331 CG1 ILE A 105 -7.703 -3.442 -0.440 1.00 0.00 C ATOM 1332 CG2 ILE A 105 -6.492 -4.890 1.175 1.00 0.00 C ATOM 1333 CD1 ILE A 105 -6.912 -2.179 -0.249 1.00 0.00 C ATOM 0 H ILE A 105 -10.303 -3.886 0.723 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.547 -6.026 -0.243 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.151 -3.665 1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.232 -4.039 -1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.701 -3.183 -0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.767 -4.093 1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.593 -5.483 2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.150 -5.529 0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.867 -1.632 -1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.393 -1.559 0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.901 -2.428 0.075 1.00 0.00 H new ATOM 1345 N SER A 106 -8.929 -7.503 1.670 1.00 0.00 N ATOM 1346 CA SER A 106 -9.045 -8.412 2.760 1.00 0.00 C ATOM 1347 C SER A 106 -7.713 -8.556 3.519 1.00 0.00 C ATOM 1348 O SER A 106 -7.701 -8.871 4.708 1.00 0.00 O ATOM 1349 CB SER A 106 -9.622 -9.746 2.304 1.00 0.00 C ATOM 1350 OG SER A 106 -10.145 -10.485 3.392 1.00 0.00 O ATOM 0 H SER A 106 -8.715 -7.947 0.777 1.00 0.00 H new ATOM 0 HA SER A 106 -9.755 -7.998 3.476 1.00 0.00 H new ATOM 0 HB2 SER A 106 -10.409 -9.571 1.570 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.846 -10.328 1.807 1.00 0.00 H new ATOM 0 HG SER A 106 -10.648 -11.255 3.053 1.00 0.00 H new ATOM 1356 N SER A 107 -6.597 -8.372 2.813 1.00 0.00 N ATOM 1357 CA SER A 107 -5.278 -8.455 3.434 1.00 0.00 C ATOM 1358 C SER A 107 -4.275 -7.545 2.709 1.00 0.00 C ATOM 1359 O SER A 107 -4.465 -7.215 1.534 1.00 0.00 O ATOM 1360 CB SER A 107 -4.775 -9.914 3.499 1.00 0.00 C ATOM 1361 OG SER A 107 -4.604 -10.501 2.224 1.00 0.00 O ATOM 0 H SER A 107 -6.581 -8.165 1.814 1.00 0.00 H new ATOM 0 HA SER A 107 -5.368 -8.100 4.461 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.826 -9.941 4.035 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.483 -10.510 4.075 1.00 0.00 H new ATOM 0 HG SER A 107 -5.481 -10.696 1.833 1.00 0.00 H new ATOM 1367 N ILE A 108 -3.227 -7.148 3.408 1.00 0.00 N ATOM 1368 CA ILE A 108 -2.226 -6.228 2.885 1.00 0.00 C ATOM 1369 C ILE A 108 -0.843 -6.768 3.208 1.00 0.00 C ATOM 1370 O ILE A 108 -0.573 -7.101 4.350 1.00 0.00 O ATOM 1371 CB ILE A 108 -2.340 -4.817 3.546 1.00 0.00 C ATOM 1372 CG1 ILE A 108 -3.745 -4.243 3.385 1.00 0.00 C ATOM 1373 CG2 ILE A 108 -1.300 -3.869 2.977 1.00 0.00 C ATOM 1374 CD1 ILE A 108 -3.904 -2.859 3.945 1.00 0.00 C ATOM 0 H ILE A 108 -3.043 -7.456 4.363 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.388 -6.137 1.811 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.148 -4.932 4.613 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -4.001 -4.228 2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -4.457 -4.907 3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.399 -2.893 3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -0.303 -4.266 3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.451 -3.766 1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.929 -2.520 3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.680 -2.870 5.012 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.218 -2.180 3.438 1.00 0.00 H new ATOM 1386 N LYS A 109 0.033 -6.792 2.241 1.00 0.00 N ATOM 1387 CA LYS A 109 1.378 -7.283 2.452 1.00 0.00 C ATOM 1388 C LYS A 109 2.333 -6.139 2.227 1.00 0.00 C ATOM 1389 O LYS A 109 2.223 -5.416 1.239 1.00 0.00 O ATOM 1390 CB LYS A 109 1.724 -8.423 1.478 1.00 0.00 C ATOM 1391 CG LYS A 109 3.096 -9.069 1.728 1.00 0.00 C ATOM 1392 CD LYS A 109 3.529 -9.982 0.579 1.00 0.00 C ATOM 1393 CE LYS A 109 2.587 -11.147 0.354 1.00 0.00 C ATOM 1394 NZ LYS A 109 2.954 -11.942 -0.839 1.00 0.00 N ATOM 0 H LYS A 109 -0.157 -6.476 1.290 1.00 0.00 H new ATOM 0 HA LYS A 109 1.455 -7.674 3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 109 0.955 -9.192 1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.697 -8.036 0.459 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.842 -8.287 1.868 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.060 -9.645 2.653 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.596 -9.395 -0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.528 -10.366 0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.593 -11.791 1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.570 -10.772 0.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.282 -12.728 -0.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.924 -11.335 -1.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.915 -12.323 -0.721 1.00 0.00 H new ATOM 1408 N ARG A 110 3.235 -5.958 3.137 1.00 0.00 N ATOM 1409 CA ARG A 110 4.197 -4.915 3.027 1.00 0.00 C ATOM 1410 C ARG A 110 5.503 -5.485 2.506 1.00 0.00 C ATOM 1411 O ARG A 110 5.995 -6.510 3.003 1.00 0.00 O ATOM 1412 CB ARG A 110 4.403 -4.228 4.366 1.00 0.00 C ATOM 1413 CG ARG A 110 5.428 -3.120 4.325 1.00 0.00 C ATOM 1414 CD ARG A 110 5.669 -2.563 5.702 1.00 0.00 C ATOM 1415 NE ARG A 110 6.879 -1.740 5.759 1.00 0.00 N ATOM 1416 CZ ARG A 110 7.087 -0.701 6.578 1.00 0.00 C ATOM 1417 NH1 ARG A 110 6.122 -0.267 7.378 1.00 0.00 N ATOM 1418 NH2 ARG A 110 8.273 -0.111 6.607 1.00 0.00 N ATOM 0 H ARG A 110 3.324 -6.530 3.977 1.00 0.00 H new ATOM 0 HA ARG A 110 3.831 -4.166 2.325 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.451 -3.819 4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.712 -4.970 5.102 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.363 -3.499 3.912 1.00 0.00 H new ATOM 0 HG3 ARG A 110 5.085 -2.326 3.662 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.810 -1.965 6.006 1.00 0.00 H new ATOM 0 HD3 ARG A 110 5.755 -3.383 6.415 1.00 0.00 H new ATOM 0 HE ARG A 110 7.633 -1.980 5.115 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.211 -0.725 7.373 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.291 0.525 7.998 1.00 0.00 H new ATOM 0 HH21 ARG A 110 9.025 -0.448 6.006 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.434 0.681 7.230 1.00 0.00 H new ATOM 1432 N CYS A 111 6.025 -4.864 1.502 1.00 0.00 N ATOM 1433 CA CYS A 111 7.238 -5.263 0.897 1.00 0.00 C ATOM 1434 C CYS A 111 8.172 -4.068 0.807 1.00 0.00 C ATOM 1435 O CYS A 111 7.795 -2.936 1.151 1.00 0.00 O ATOM 1436 CB CYS A 111 6.943 -5.817 -0.491 1.00 0.00 C ATOM 1437 SG CYS A 111 5.760 -7.206 -0.517 1.00 0.00 S ATOM 0 H CYS A 111 5.602 -4.041 1.072 1.00 0.00 H new ATOM 0 HA CYS A 111 7.719 -6.038 1.493 1.00 0.00 H new ATOM 0 HB2 CYS A 111 6.552 -5.012 -1.114 1.00 0.00 H new ATOM 0 HB3 CYS A 111 7.879 -6.145 -0.944 1.00 0.00 H new ATOM 1442 N ILE A 112 9.375 -4.320 0.414 1.00 0.00 N ATOM 1443 CA ILE A 112 10.360 -3.308 0.219 1.00 0.00 C ATOM 1444 C ILE A 112 11.029 -3.490 -1.117 1.00 0.00 C ATOM 1445 O ILE A 112 11.285 -4.609 -1.543 1.00 0.00 O ATOM 1446 CB ILE A 112 11.441 -3.306 1.312 1.00 0.00 C ATOM 1447 CG1 ILE A 112 11.890 -4.730 1.616 1.00 0.00 C ATOM 1448 CG2 ILE A 112 10.956 -2.593 2.564 1.00 0.00 C ATOM 1449 CD1 ILE A 112 13.191 -4.806 2.345 1.00 0.00 C ATOM 0 H ILE A 112 9.711 -5.262 0.214 1.00 0.00 H new ATOM 0 HA ILE A 112 9.835 -2.354 0.265 1.00 0.00 H new ATOM 0 HB ILE A 112 12.304 -2.752 0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.121 -5.225 2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 112 11.975 -5.282 0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.742 -2.608 3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.706 -1.560 2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.072 -3.099 2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.446 -5.850 2.526 1.00 0.00 H new ATOM 0 HD12 ILE A 112 13.972 -4.341 1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.106 -4.283 3.297 1.00 0.00 H new ATOM 1461 N GLN A 113 11.312 -2.414 -1.758 1.00 0.00 N ATOM 1462 CA GLN A 113 11.947 -2.447 -3.040 1.00 0.00 C ATOM 1463 C GLN A 113 13.327 -1.846 -2.910 1.00 0.00 C ATOM 1464 O GLN A 113 13.485 -0.677 -2.513 1.00 0.00 O ATOM 1465 CB GLN A 113 11.092 -1.750 -4.099 1.00 0.00 C ATOM 1466 CG GLN A 113 11.603 -1.938 -5.517 1.00 0.00 C ATOM 1467 CD GLN A 113 10.595 -1.512 -6.565 1.00 0.00 C ATOM 1468 OE1 GLN A 113 9.794 -0.606 -6.357 1.00 0.00 O ATOM 1469 NE2 GLN A 113 10.609 -2.185 -7.689 1.00 0.00 N ATOM 0 H GLN A 113 11.111 -1.476 -1.412 1.00 0.00 H new ATOM 0 HA GLN A 113 12.052 -3.477 -3.380 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.072 -2.129 -4.037 1.00 0.00 H new ATOM 0 HB3 GLN A 113 11.050 -0.684 -3.876 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.520 -1.364 -5.647 1.00 0.00 H new ATOM 0 HG3 GLN A 113 11.859 -2.986 -5.670 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.289 -2.932 -7.828 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.940 -1.962 -8.425 1.00 0.00 H new ATOM 1478 N THR A 114 14.309 -2.646 -3.206 1.00 0.00 N ATOM 1479 CA THR A 114 15.691 -2.300 -2.991 1.00 0.00 C ATOM 1480 C THR A 114 16.224 -1.394 -4.111 1.00 0.00 C ATOM 1481 O THR A 114 15.478 -1.025 -5.034 1.00 0.00 O ATOM 1482 CB THR A 114 16.546 -3.581 -2.921 1.00 0.00 C ATOM 1483 OG1 THR A 114 16.599 -4.208 -4.216 1.00 0.00 O ATOM 1484 CG2 THR A 114 15.958 -4.581 -1.930 1.00 0.00 C ATOM 0 H THR A 114 14.174 -3.573 -3.610 1.00 0.00 H new ATOM 0 HA THR A 114 15.756 -1.756 -2.049 1.00 0.00 H new ATOM 0 HB THR A 114 17.545 -3.293 -2.594 1.00 0.00 H new ATOM 0 HG1 THR A 114 17.457 -4.670 -4.321 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.582 -5.475 -1.901 1.00 0.00 H new ATOM 0 HG22 THR A 114 15.922 -4.132 -0.938 1.00 0.00 H new ATOM 0 HG23 THR A 114 14.949 -4.852 -2.242 1.00 0.00 H new ATOM 1492 N LYS A 115 17.506 -1.039 -4.030 1.00 0.00 N ATOM 1493 CA LYS A 115 18.173 -0.220 -5.046 1.00 0.00 C ATOM 1494 C LYS A 115 18.253 -0.994 -6.356 1.00 0.00 C ATOM 1495 O LYS A 115 18.216 -0.427 -7.446 1.00 0.00 O ATOM 1496 CB LYS A 115 19.587 0.163 -4.566 1.00 0.00 C ATOM 1497 CG LYS A 115 20.409 1.004 -5.539 1.00 0.00 C ATOM 1498 CD LYS A 115 19.774 2.348 -5.820 1.00 0.00 C ATOM 1499 CE LYS A 115 19.715 3.231 -4.581 1.00 0.00 C ATOM 1500 NZ LYS A 115 19.158 4.565 -4.880 1.00 0.00 N ATOM 0 H LYS A 115 18.114 -1.311 -3.257 1.00 0.00 H new ATOM 0 HA LYS A 115 17.599 0.693 -5.208 1.00 0.00 H new ATOM 0 HB2 LYS A 115 19.497 0.710 -3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 115 20.138 -0.752 -4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 115 21.408 1.156 -5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 115 20.528 0.459 -6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 115 20.339 2.858 -6.600 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.765 2.197 -6.204 1.00 0.00 H new ATOM 0 HE2 LYS A 115 19.105 2.746 -3.819 1.00 0.00 H new ATOM 0 HE3 LYS A 115 20.717 3.341 -4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 19.135 5.135 -4.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 19.754 5.039 -5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 18.192 4.463 -5.252 1.00 0.00 H new ATOM 1514 N ASP A 116 18.306 -2.300 -6.236 1.00 0.00 N ATOM 1515 CA ASP A 116 18.375 -3.179 -7.393 1.00 0.00 C ATOM 1516 C ASP A 116 17.001 -3.364 -7.998 1.00 0.00 C ATOM 1517 O ASP A 116 16.846 -4.006 -9.028 1.00 0.00 O ATOM 1518 CB ASP A 116 18.945 -4.532 -7.031 1.00 0.00 C ATOM 1519 CG ASP A 116 20.377 -4.499 -6.587 1.00 0.00 C ATOM 1520 OD1 ASP A 116 20.632 -4.765 -5.407 1.00 0.00 O ATOM 1521 OD2 ASP A 116 21.267 -4.217 -7.401 1.00 0.00 O ATOM 0 H ASP A 116 18.303 -2.787 -5.340 1.00 0.00 H new ATOM 0 HA ASP A 116 19.037 -2.707 -8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 116 18.340 -4.967 -6.236 1.00 0.00 H new ATOM 0 HB3 ASP A 116 18.859 -5.192 -7.894 1.00 0.00 H new ATOM 1526 N GLY A 117 16.003 -2.837 -7.329 1.00 0.00 N ATOM 1527 CA GLY A 117 14.663 -2.859 -7.845 1.00 0.00 C ATOM 1528 C GLY A 117 13.908 -4.121 -7.520 1.00 0.00 C ATOM 1529 O GLY A 117 12.782 -4.307 -8.003 1.00 0.00 O ATOM 0 H GLY A 117 16.099 -2.385 -6.420 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.115 -2.006 -7.445 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.698 -2.736 -8.927 1.00 0.00 H new ATOM 1533 N LYS A 118 14.487 -4.993 -6.714 1.00 0.00 N ATOM 1534 CA LYS A 118 13.784 -6.205 -6.356 1.00 0.00 C ATOM 1535 C LYS A 118 12.835 -5.901 -5.232 1.00 0.00 C ATOM 1536 O LYS A 118 13.130 -5.046 -4.378 1.00 0.00 O ATOM 1537 CB LYS A 118 14.726 -7.358 -5.961 1.00 0.00 C ATOM 1538 CG LYS A 118 15.535 -7.143 -4.699 1.00 0.00 C ATOM 1539 CD LYS A 118 16.344 -8.377 -4.349 1.00 0.00 C ATOM 1540 CE LYS A 118 17.141 -8.168 -3.081 1.00 0.00 C ATOM 1541 NZ LYS A 118 17.965 -9.338 -2.752 1.00 0.00 N ATOM 0 H LYS A 118 15.416 -4.888 -6.306 1.00 0.00 H new ATOM 0 HA LYS A 118 13.241 -6.545 -7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.131 -8.263 -5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 118 15.415 -7.538 -6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.204 -6.293 -4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 118 14.867 -6.897 -3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 118 15.676 -9.230 -4.225 1.00 0.00 H new ATOM 0 HD3 LYS A 118 17.019 -8.617 -5.170 1.00 0.00 H new ATOM 0 HE2 LYS A 118 17.782 -7.294 -3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 118 16.461 -7.959 -2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 18.495 -9.154 -1.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 17.352 -10.168 -2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 18.632 -9.522 -3.528 1.00 0.00 H new ATOM 1555 N VAL A 119 11.710 -6.544 -5.230 1.00 0.00 N ATOM 1556 CA VAL A 119 10.759 -6.327 -4.187 1.00 0.00 C ATOM 1557 C VAL A 119 10.809 -7.508 -3.240 1.00 0.00 C ATOM 1558 O VAL A 119 10.447 -8.625 -3.599 1.00 0.00 O ATOM 1559 CB VAL A 119 9.309 -6.131 -4.729 1.00 0.00 C ATOM 1560 CG1 VAL A 119 8.356 -5.741 -3.611 1.00 0.00 C ATOM 1561 CG2 VAL A 119 9.265 -5.091 -5.839 1.00 0.00 C ATOM 0 H VAL A 119 11.428 -7.222 -5.938 1.00 0.00 H new ATOM 0 HA VAL A 119 11.023 -5.405 -3.669 1.00 0.00 H new ATOM 0 HB VAL A 119 8.988 -7.087 -5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.353 -5.611 -4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.342 -6.525 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 119 8.688 -4.807 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 119 8.240 -4.980 -6.193 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.622 -4.135 -5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 119 9.901 -5.412 -6.664 1.00 0.00 H new ATOM 1571 N GLU A 120 11.283 -7.257 -2.063 1.00 0.00 N ATOM 1572 CA GLU A 120 11.375 -8.248 -1.027 1.00 0.00 C ATOM 1573 C GLU A 120 10.171 -8.083 -0.148 1.00 0.00 C ATOM 1574 O GLU A 120 9.737 -6.968 0.080 1.00 0.00 O ATOM 1575 CB GLU A 120 12.666 -8.062 -0.227 1.00 0.00 C ATOM 1576 CG GLU A 120 13.928 -8.333 -1.029 1.00 0.00 C ATOM 1577 CD GLU A 120 14.151 -9.806 -1.302 1.00 0.00 C ATOM 1578 OE1 GLU A 120 15.200 -10.332 -0.900 1.00 0.00 O ATOM 1579 OE2 GLU A 120 13.273 -10.478 -1.886 1.00 0.00 O ATOM 0 H GLU A 120 11.626 -6.338 -1.783 1.00 0.00 H new ATOM 0 HA GLU A 120 11.400 -9.252 -1.450 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.702 -7.042 0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 120 12.646 -8.726 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.871 -7.798 -1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.787 -7.935 -0.489 1.00 0.00 H new ATOM 1586 N CYS A 121 9.644 -9.147 0.353 1.00 0.00 N ATOM 1587 CA CYS A 121 8.415 -9.075 1.097 1.00 0.00 C ATOM 1588 C CYS A 121 8.533 -9.781 2.411 1.00 0.00 C ATOM 1589 O CYS A 121 9.360 -10.690 2.567 1.00 0.00 O ATOM 1590 CB CYS A 121 7.274 -9.678 0.286 1.00 0.00 C ATOM 1591 SG CYS A 121 6.845 -8.761 -1.228 1.00 0.00 S ATOM 0 H CYS A 121 10.039 -10.083 0.266 1.00 0.00 H new ATOM 0 HA CYS A 121 8.203 -8.024 1.293 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.541 -10.699 0.012 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.389 -9.739 0.920 1.00 0.00 H new ATOM 1596 N ILE A 122 7.741 -9.351 3.362 1.00 0.00 N ATOM 1597 CA ILE A 122 7.744 -9.935 4.667 1.00 0.00 C ATOM 1598 C ILE A 122 6.323 -10.378 5.031 1.00 0.00 C ATOM 1599 O ILE A 122 5.353 -9.625 4.862 1.00 0.00 O ATOM 1600 CB ILE A 122 8.331 -8.942 5.739 1.00 0.00 C ATOM 1601 CG1 ILE A 122 8.539 -9.633 7.090 1.00 0.00 C ATOM 1602 CG2 ILE A 122 7.467 -7.693 5.908 1.00 0.00 C ATOM 1603 CD1 ILE A 122 9.605 -10.709 7.080 1.00 0.00 C ATOM 0 H ILE A 122 7.078 -8.585 3.246 1.00 0.00 H new ATOM 0 HA ILE A 122 8.394 -10.810 4.661 1.00 0.00 H new ATOM 0 HB ILE A 122 9.302 -8.622 5.361 1.00 0.00 H new ATOM 0 HG12 ILE A 122 8.805 -8.881 7.833 1.00 0.00 H new ATOM 0 HG13 ILE A 122 7.595 -10.076 7.408 1.00 0.00 H new ATOM 0 HG21 ILE A 122 7.914 -7.040 6.658 1.00 0.00 H new ATOM 0 HG22 ILE A 122 7.403 -7.163 4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 122 6.467 -7.983 6.230 1.00 0.00 H new ATOM 0 HD11 ILE A 122 9.689 -11.147 8.074 1.00 0.00 H new ATOM 0 HD12 ILE A 122 9.333 -11.484 6.363 1.00 0.00 H new ATOM 0 HD13 ILE A 122 10.561 -10.271 6.795 1.00 0.00 H new ATOM 1615 N ASN A 123 6.195 -11.609 5.431 1.00 0.00 N ATOM 1616 CA ASN A 123 4.925 -12.121 5.893 1.00 0.00 C ATOM 1617 C ASN A 123 4.866 -11.936 7.381 1.00 0.00 C ATOM 1618 O ASN A 123 5.817 -12.284 8.093 1.00 0.00 O ATOM 1619 CB ASN A 123 4.718 -13.600 5.518 1.00 0.00 C ATOM 1620 CG ASN A 123 4.544 -13.837 4.024 1.00 0.00 C ATOM 1621 OD1 ASN A 123 4.033 -12.985 3.296 1.00 0.00 O ATOM 1622 ND2 ASN A 123 4.949 -14.992 3.558 1.00 0.00 N ATOM 0 H ASN A 123 6.957 -12.287 5.449 1.00 0.00 H new ATOM 0 HA ASN A 123 4.121 -11.570 5.405 1.00 0.00 H new ATOM 0 HB2 ASN A 123 5.572 -14.178 5.871 1.00 0.00 H new ATOM 0 HB3 ASN A 123 3.840 -13.978 6.041 1.00 0.00 H new ATOM 0 HD21 ASN A 123 4.845 -15.207 2.566 1.00 0.00 H new ATOM 0 HD22 ASN A 123 5.368 -15.677 4.187 1.00 0.00 H new ATOM 1629 N GLN A 124 3.814 -11.347 7.847 1.00 0.00 N ATOM 1630 CA GLN A 124 3.654 -11.042 9.242 1.00 0.00 C ATOM 1631 C GLN A 124 2.331 -11.598 9.695 1.00 0.00 C ATOM 1632 O GLN A 124 2.316 -12.703 10.288 1.00 0.00 O ATOM 1633 CB GLN A 124 3.712 -9.523 9.443 1.00 0.00 C ATOM 1634 CG GLN A 124 5.030 -8.895 8.988 1.00 0.00 C ATOM 1635 CD GLN A 124 6.172 -9.143 9.942 1.00 0.00 C ATOM 1636 OE1 GLN A 124 6.428 -8.332 10.830 1.00 0.00 O ATOM 1637 NE2 GLN A 124 6.831 -10.260 9.805 1.00 0.00 N ATOM 1638 OXT GLN A 124 1.299 -11.009 9.378 1.00 0.00 O ATOM 0 H GLN A 124 3.027 -11.058 7.266 1.00 0.00 H new ATOM 0 HA GLN A 124 4.454 -11.490 9.832 1.00 0.00 H new ATOM 0 HB2 GLN A 124 2.891 -9.061 8.895 1.00 0.00 H new ATOM 0 HB3 GLN A 124 3.557 -9.298 10.498 1.00 0.00 H new ATOM 0 HG2 GLN A 124 5.293 -9.291 8.007 1.00 0.00 H new ATOM 0 HG3 GLN A 124 4.891 -7.820 8.871 1.00 0.00 H new ATOM 0 HE21 GLN A 124 6.588 -10.907 9.055 1.00 0.00 H new ATOM 0 HE22 GLN A 124 7.590 -10.487 10.448 1.00 0.00 H new TER 1647 GLN A 124