USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 514 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 42 ASN : amide:sc= -0.157 X(o=0.62,f=0.26) USER MOD Set 1.2: A 44 CYS SG : rot 116:sc= 0.556 USER MOD Set 1.3: A 54 CYS SG : rot -137:sc= -0.281 USER MOD Set 1.4: A 57 CYS SG : rot -155:sc= 0.5 USER MOD Set 2.1: A 2 CYS SG : rot -152:sc= 0.881 USER MOD Set 2.2: A 5 CYS SG : rot -93:sc= 0.71 USER MOD Set 2.3: A 19 CYS SG : rot -123:sc= 0.217 USER MOD Set 2.4: A 22 CYS SG : rot 152:sc= 0.512 USER MOD Set 3.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 13 HIS : no HD1:sc= -1.48 K(o=-3,f=-2.1) USER MOD Set 3.3: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 3.4: A 18 THR OG1 : rot 170:sc= 0 USER MOD Set 3.5: A 23 LYS NZ :NH3+ 159:sc= -0.0609 (180deg=-0.00674) USER MOD Set 3.6: A 67 MET CE :methyl 173:sc= -1.44 (180deg=-1.52!) USER MOD Single : A 1 LEU N :NH3+ 152:sc=-0.00782 (180deg=-0.118) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0.0511 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.135) USER MOD Single : A 33 GLN : amide:sc=-0.00575 X(o=-0.0058,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-0.092) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0.0043) USER MOD Single : A 36 TYR OH : rot 30:sc=-0.00209 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0291) USER MOD Single : A 62 CYS SG : rot -19:sc= 0.422 USER MOD Single : A 64 GLN : amide:sc= -0.0175 X(o=-0.018,f=-0.018) USER MOD Single : A 68 ASN : amide:sc= -0.857 K(o=-0.86,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.967 5.442 3.962 1.00 0.00 N ATOM 2 CA LEU A 1 10.540 5.749 4.091 1.00 0.00 C ATOM 3 C LEU A 1 9.708 4.883 3.190 1.00 0.00 C ATOM 4 O LEU A 1 10.183 4.378 2.174 1.00 0.00 O ATOM 5 CB LEU A 1 10.266 7.268 3.889 1.00 0.00 C ATOM 6 CG LEU A 1 10.712 7.936 2.557 1.00 0.00 C ATOM 7 CD1 LEU A 1 9.725 7.720 1.394 1.00 0.00 C ATOM 8 CD2 LEU A 1 10.973 9.441 2.761 1.00 0.00 C ATOM 0 H1 LEU A 1 12.526 6.290 4.184 1.00 0.00 H new ATOM 0 H2 LEU A 1 12.219 4.679 4.622 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.170 5.139 2.988 1.00 0.00 H new ATOM 0 HA LEU A 1 10.236 5.513 5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 1 9.193 7.428 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 1 10.751 7.803 4.706 1.00 0.00 H new ATOM 0 HG LEU A 1 11.639 7.438 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 1 10.103 8.214 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 1 9.618 6.653 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 1 8.754 8.140 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 1 11.284 9.888 1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 1 10.060 9.925 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 1 11.760 9.577 3.503 1.00 0.00 H new ATOM 22 N CYS A 2 8.394 4.730 3.542 1.00 0.00 N ATOM 23 CA CYS A 2 7.334 3.988 2.894 1.00 0.00 C ATOM 24 C CYS A 2 7.129 4.731 1.614 1.00 0.00 C ATOM 25 O CYS A 2 7.029 5.951 1.637 1.00 0.00 O ATOM 26 CB CYS A 2 6.045 3.882 3.764 1.00 0.00 C ATOM 27 SG CYS A 2 4.701 2.958 2.954 1.00 0.00 S ATOM 0 H CYS A 2 8.043 5.186 4.384 1.00 0.00 H new ATOM 0 HA CYS A 2 7.591 2.942 2.728 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.292 3.397 4.708 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.693 4.886 4.003 1.00 0.00 H new ATOM 0 HG CYS A 2 3.555 3.382 3.397 1.00 0.00 H new ATOM 32 N LEU A 3 7.087 4.015 0.472 1.00 0.00 N ATOM 33 CA LEU A 3 7.006 4.655 -0.814 1.00 0.00 C ATOM 34 C LEU A 3 5.623 4.564 -1.382 1.00 0.00 C ATOM 35 O LEU A 3 5.391 4.723 -2.581 1.00 0.00 O ATOM 36 CB LEU A 3 7.978 3.987 -1.792 1.00 0.00 C ATOM 37 CG LEU A 3 9.458 4.272 -1.462 1.00 0.00 C ATOM 38 CD1 LEU A 3 10.403 3.302 -2.191 1.00 0.00 C ATOM 39 CD2 LEU A 3 9.849 5.738 -1.734 1.00 0.00 C ATOM 0 H LEU A 3 7.109 2.996 0.436 1.00 0.00 H new ATOM 0 HA LEU A 3 7.265 5.705 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.811 2.910 -1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.764 4.334 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 3 9.571 4.104 -0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.436 3.536 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.177 2.279 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.267 3.402 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.900 5.886 -1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.689 5.968 -2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.235 6.398 -1.121 1.00 0.00 H new ATOM 51 N VAL A 4 4.677 4.305 -0.474 1.00 0.00 N ATOM 52 CA VAL A 4 3.286 4.100 -0.748 1.00 0.00 C ATOM 53 C VAL A 4 2.493 5.138 -0.036 1.00 0.00 C ATOM 54 O VAL A 4 1.863 5.975 -0.675 1.00 0.00 O ATOM 55 CB VAL A 4 2.822 2.676 -0.342 1.00 0.00 C ATOM 56 CG1 VAL A 4 1.387 2.365 -0.792 1.00 0.00 C ATOM 57 CG2 VAL A 4 3.854 1.627 -0.783 1.00 0.00 C ATOM 0 H VAL A 4 4.892 4.233 0.520 1.00 0.00 H new ATOM 0 HA VAL A 4 3.126 4.189 -1.822 1.00 0.00 H new ATOM 0 HB VAL A 4 2.775 2.634 0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.118 1.356 -0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.700 3.080 -0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.322 2.438 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.512 0.634 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.972 1.665 -1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.812 1.836 -0.306 1.00 0.00 H new ATOM 67 N CYS A 5 2.477 5.074 1.311 1.00 0.00 N ATOM 68 CA CYS A 5 1.700 5.979 2.124 1.00 0.00 C ATOM 69 C CYS A 5 2.627 6.959 2.775 1.00 0.00 C ATOM 70 O CYS A 5 2.267 7.593 3.761 1.00 0.00 O ATOM 71 CB CYS A 5 0.737 5.287 3.134 1.00 0.00 C ATOM 72 SG CYS A 5 1.447 4.303 4.514 1.00 0.00 S ATOM 0 H CYS A 5 3.008 4.388 1.847 1.00 0.00 H new ATOM 0 HA CYS A 5 1.015 6.509 1.463 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.108 6.062 3.572 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.081 4.629 2.564 1.00 0.00 H new ATOM 0 HG CYS A 5 1.532 3.055 4.159 1.00 0.00 H new ATOM 77 N SER A 6 3.843 7.111 2.182 1.00 0.00 N ATOM 78 CA SER A 6 4.844 8.147 2.447 1.00 0.00 C ATOM 79 C SER A 6 5.049 8.518 3.895 1.00 0.00 C ATOM 80 O SER A 6 4.956 9.675 4.304 1.00 0.00 O ATOM 81 CB SER A 6 4.657 9.370 1.527 1.00 0.00 C ATOM 82 OG SER A 6 4.138 9.001 0.254 1.00 0.00 O ATOM 0 H SER A 6 4.157 6.463 1.460 1.00 0.00 H new ATOM 0 HA SER A 6 5.793 7.676 2.189 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.982 10.082 2.002 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.614 9.876 1.396 1.00 0.00 H new ATOM 0 HG SER A 6 4.031 9.802 -0.301 1.00 0.00 H new ATOM 88 N ASP A 7 5.308 7.458 4.681 1.00 0.00 N ATOM 89 CA ASP A 7 5.396 7.460 6.122 1.00 0.00 C ATOM 90 C ASP A 7 6.743 6.865 6.411 1.00 0.00 C ATOM 91 O ASP A 7 7.367 6.326 5.511 1.00 0.00 O ATOM 92 CB ASP A 7 4.238 6.546 6.629 1.00 0.00 C ATOM 93 CG ASP A 7 4.029 6.420 8.149 1.00 0.00 C ATOM 94 OD1 ASP A 7 4.369 7.377 8.895 1.00 0.00 O ATOM 95 OD2 ASP A 7 3.509 5.354 8.574 1.00 0.00 O ATOM 0 H ASP A 7 5.468 6.531 4.288 1.00 0.00 H new ATOM 0 HA ASP A 7 5.302 8.436 6.599 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.308 6.912 6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.404 5.545 6.231 1.00 0.00 H new ATOM 100 N GLU A 8 7.218 6.901 7.684 1.00 0.00 N ATOM 101 CA GLU A 8 8.485 6.331 8.111 1.00 0.00 C ATOM 102 C GLU A 8 8.445 4.818 8.015 1.00 0.00 C ATOM 103 O GLU A 8 7.659 4.174 8.711 1.00 0.00 O ATOM 104 CB GLU A 8 8.975 6.820 9.501 1.00 0.00 C ATOM 105 CG GLU A 8 8.367 8.173 9.942 1.00 0.00 C ATOM 106 CD GLU A 8 9.036 8.694 11.219 1.00 0.00 C ATOM 107 OE1 GLU A 8 10.246 9.042 11.157 1.00 0.00 O ATOM 108 OE2 GLU A 8 8.342 8.760 12.268 1.00 0.00 O ATOM 0 H GLU A 8 6.704 7.342 8.446 1.00 0.00 H new ATOM 0 HA GLU A 8 9.237 6.706 7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.732 6.064 10.247 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.061 6.911 9.481 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.485 8.905 9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.297 8.055 10.112 1.00 0.00 H new ATOM 115 N ALA A 9 9.287 4.230 7.123 1.00 0.00 N ATOM 116 CA ALA A 9 9.338 2.804 6.862 1.00 0.00 C ATOM 117 C ALA A 9 10.255 2.141 7.843 1.00 0.00 C ATOM 118 O ALA A 9 11.194 2.749 8.355 1.00 0.00 O ATOM 119 CB ALA A 9 9.796 2.432 5.436 1.00 0.00 C ATOM 0 H ALA A 9 9.954 4.763 6.565 1.00 0.00 H new ATOM 0 HA ALA A 9 8.312 2.452 6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.805 1.347 5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.108 2.863 4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.799 2.822 5.263 1.00 0.00 H new ATOM 125 N SER A 10 9.969 0.841 8.103 1.00 0.00 N ATOM 126 CA SER A 10 10.691 0.006 9.035 1.00 0.00 C ATOM 127 C SER A 10 11.825 -0.703 8.326 1.00 0.00 C ATOM 128 O SER A 10 12.900 -0.894 8.895 1.00 0.00 O ATOM 129 CB SER A 10 9.772 -1.002 9.768 1.00 0.00 C ATOM 130 OG SER A 10 8.942 -1.737 8.874 1.00 0.00 O ATOM 0 H SER A 10 9.202 0.350 7.644 1.00 0.00 H new ATOM 0 HA SER A 10 11.105 0.657 9.805 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.386 -1.696 10.342 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.146 -0.465 10.481 1.00 0.00 H new ATOM 0 HG SER A 10 8.383 -2.360 9.384 1.00 0.00 H new ATOM 136 N GLY A 11 11.588 -1.103 7.057 1.00 0.00 N ATOM 137 CA GLY A 11 12.548 -1.788 6.231 1.00 0.00 C ATOM 138 C GLY A 11 11.807 -2.126 4.982 1.00 0.00 C ATOM 139 O GLY A 11 10.616 -1.847 4.874 1.00 0.00 O ATOM 0 H GLY A 11 10.696 -0.944 6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.410 -1.156 6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.924 -2.685 6.723 1.00 0.00 H new ATOM 143 N CYS A 12 12.489 -2.754 3.990 1.00 0.00 N ATOM 144 CA CYS A 12 11.884 -3.138 2.723 1.00 0.00 C ATOM 145 C CYS A 12 11.252 -4.495 2.891 1.00 0.00 C ATOM 146 O CYS A 12 11.752 -5.329 3.646 1.00 0.00 O ATOM 147 CB CYS A 12 12.861 -3.092 1.515 1.00 0.00 C ATOM 148 SG CYS A 12 14.440 -3.984 1.778 1.00 0.00 S ATOM 0 H CYS A 12 13.476 -3.001 4.063 1.00 0.00 H new ATOM 0 HA CYS A 12 11.123 -2.398 2.474 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.361 -3.514 0.644 1.00 0.00 H new ATOM 0 HB3 CYS A 12 13.082 -2.050 1.282 1.00 0.00 H new ATOM 0 HG CYS A 12 15.177 -3.885 0.712 1.00 0.00 H new ATOM 154 N HIS A 13 10.107 -4.721 2.201 1.00 0.00 N ATOM 155 CA HIS A 13 9.373 -5.953 2.315 1.00 0.00 C ATOM 156 C HIS A 13 8.798 -6.169 0.965 1.00 0.00 C ATOM 157 O HIS A 13 8.118 -5.291 0.433 1.00 0.00 O ATOM 158 CB HIS A 13 8.209 -5.912 3.330 1.00 0.00 C ATOM 159 CG HIS A 13 8.614 -5.435 4.697 1.00 0.00 C ATOM 160 ND1 HIS A 13 8.442 -4.107 5.058 1.00 0.00 N ATOM 161 CD2 HIS A 13 9.176 -6.134 5.718 1.00 0.00 C ATOM 162 CE1 HIS A 13 8.905 -4.036 6.291 1.00 0.00 C ATOM 163 NE2 HIS A 13 9.361 -5.232 6.739 1.00 0.00 N ATOM 0 H HIS A 13 9.690 -4.045 1.561 1.00 0.00 H new ATOM 0 HA HIS A 13 10.043 -6.736 2.668 1.00 0.00 H new ATOM 0 HB2 HIS A 13 7.426 -5.259 2.945 1.00 0.00 H new ATOM 0 HB3 HIS A 13 7.779 -6.910 3.416 1.00 0.00 H new ATOM 0 HD2 HIS A 13 9.426 -7.185 5.726 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.919 -3.129 6.877 1.00 0.00 H new ATOM 0 HE2 HIS A 13 9.763 -5.425 7.656 1.00 0.00 H new ATOM 171 N TYR A 14 9.075 -7.361 0.371 1.00 0.00 N ATOM 172 CA TYR A 14 8.606 -7.771 -0.935 1.00 0.00 C ATOM 173 C TYR A 14 9.548 -7.123 -1.918 1.00 0.00 C ATOM 174 O TYR A 14 10.746 -7.402 -1.871 1.00 0.00 O ATOM 175 CB TYR A 14 7.060 -7.646 -1.141 1.00 0.00 C ATOM 176 CG TYR A 14 6.331 -8.389 -0.017 1.00 0.00 C ATOM 177 CD1 TYR A 14 6.692 -9.700 0.372 1.00 0.00 C ATOM 178 CD2 TYR A 14 5.275 -7.790 0.680 1.00 0.00 C ATOM 179 CE1 TYR A 14 6.134 -10.317 1.496 1.00 0.00 C ATOM 180 CE2 TYR A 14 4.694 -8.410 1.791 1.00 0.00 C ATOM 181 CZ TYR A 14 5.139 -9.662 2.222 1.00 0.00 C ATOM 182 OH TYR A 14 4.556 -10.279 3.352 1.00 0.00 O ATOM 0 H TYR A 14 9.652 -8.070 0.823 1.00 0.00 H new ATOM 0 HA TYR A 14 8.659 -8.848 -1.097 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.767 -6.596 -1.146 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.777 -8.061 -2.108 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.419 -10.240 -0.216 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.902 -6.831 0.354 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.472 -11.296 1.801 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.893 -7.916 2.321 1.00 0.00 H new ATOM 0 HH TYR A 14 3.881 -9.683 3.739 1.00 0.00 H new ATOM 192 N GLY A 15 9.059 -6.225 -2.795 1.00 0.00 N ATOM 193 CA GLY A 15 9.888 -5.560 -3.779 1.00 0.00 C ATOM 194 C GLY A 15 10.147 -4.109 -3.481 1.00 0.00 C ATOM 195 O GLY A 15 10.903 -3.485 -4.226 1.00 0.00 O ATOM 0 H GLY A 15 8.077 -5.951 -2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.842 -6.082 -3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.410 -5.640 -4.755 1.00 0.00 H new ATOM 199 N VAL A 16 9.555 -3.518 -2.400 1.00 0.00 N ATOM 200 CA VAL A 16 9.633 -2.075 -2.185 1.00 0.00 C ATOM 201 C VAL A 16 9.876 -1.792 -0.735 1.00 0.00 C ATOM 202 O VAL A 16 9.480 -2.546 0.149 1.00 0.00 O ATOM 203 CB VAL A 16 8.325 -1.350 -2.632 1.00 0.00 C ATOM 204 CG1 VAL A 16 8.250 0.181 -2.493 1.00 0.00 C ATOM 205 CG2 VAL A 16 7.973 -1.681 -4.085 1.00 0.00 C ATOM 0 H VAL A 16 9.032 -4.025 -1.686 1.00 0.00 H new ATOM 0 HA VAL A 16 10.457 -1.697 -2.790 1.00 0.00 H new ATOM 0 HB VAL A 16 7.616 -1.748 -1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.280 0.531 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.378 0.458 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.039 0.640 -3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.057 -1.160 -4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.786 -1.362 -4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.825 -2.756 -4.188 1.00 0.00 H new ATOM 215 N LEU A 17 10.444 -0.579 -0.515 1.00 0.00 N ATOM 216 CA LEU A 17 10.759 0.060 0.750 1.00 0.00 C ATOM 217 C LEU A 17 9.441 0.602 1.254 1.00 0.00 C ATOM 218 O LEU A 17 9.040 1.701 0.880 1.00 0.00 O ATOM 219 CB LEU A 17 11.839 1.165 0.638 1.00 0.00 C ATOM 220 CG LEU A 17 12.288 1.823 1.971 1.00 0.00 C ATOM 221 CD1 LEU A 17 12.907 0.818 2.958 1.00 0.00 C ATOM 222 CD2 LEU A 17 13.228 3.017 1.720 1.00 0.00 C ATOM 0 H LEU A 17 10.710 0.015 -1.301 1.00 0.00 H new ATOM 0 HA LEU A 17 11.203 -0.656 1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.717 0.738 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.461 1.948 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 17 11.383 2.201 2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.201 1.338 3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.175 0.047 3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.784 0.356 2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.523 3.454 2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.115 2.676 1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.711 3.767 1.121 1.00 0.00 H new ATOM 234 N THR A 18 8.737 -0.189 2.091 1.00 0.00 N ATOM 235 CA THR A 18 7.408 0.107 2.579 1.00 0.00 C ATOM 236 C THR A 18 7.475 0.163 4.060 1.00 0.00 C ATOM 237 O THR A 18 8.496 -0.151 4.660 1.00 0.00 O ATOM 238 CB THR A 18 6.399 -1.035 2.209 1.00 0.00 C ATOM 239 OG1 THR A 18 7.028 -2.315 2.166 1.00 0.00 O ATOM 240 CG2 THR A 18 5.686 -0.773 0.885 1.00 0.00 C ATOM 0 H THR A 18 9.104 -1.072 2.446 1.00 0.00 H new ATOM 0 HA THR A 18 7.072 1.044 2.134 1.00 0.00 H new ATOM 0 HB THR A 18 5.655 -1.038 3.006 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.344 -3.013 2.093 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.999 -1.592 0.674 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.128 0.161 0.951 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.421 -0.701 0.084 1.00 0.00 H new ATOM 248 N CYS A 19 6.331 0.540 4.690 1.00 0.00 N ATOM 249 CA CYS A 19 6.215 0.631 6.132 1.00 0.00 C ATOM 250 C CYS A 19 5.980 -0.766 6.690 1.00 0.00 C ATOM 251 O CYS A 19 6.211 -1.771 6.017 1.00 0.00 O ATOM 252 CB CYS A 19 5.222 1.703 6.692 1.00 0.00 C ATOM 253 SG CYS A 19 3.452 1.585 6.242 1.00 0.00 S ATOM 0 H CYS A 19 5.475 0.785 4.193 1.00 0.00 H new ATOM 0 HA CYS A 19 7.164 1.026 6.494 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.288 1.678 7.780 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.579 2.682 6.373 1.00 0.00 H new ATOM 0 HG CYS A 19 3.076 2.688 5.666 1.00 0.00 H new ATOM 258 N GLY A 20 5.501 -0.857 7.951 1.00 0.00 N ATOM 259 CA GLY A 20 5.216 -2.112 8.618 1.00 0.00 C ATOM 260 C GLY A 20 3.876 -2.622 8.174 1.00 0.00 C ATOM 261 O GLY A 20 3.714 -3.807 7.895 1.00 0.00 O ATOM 0 H GLY A 20 5.304 -0.039 8.528 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.990 -2.843 8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.224 -1.972 9.699 1.00 0.00 H new ATOM 265 N SER A 21 2.900 -1.690 8.044 1.00 0.00 N ATOM 266 CA SER A 21 1.521 -1.942 7.683 1.00 0.00 C ATOM 267 C SER A 21 1.333 -2.281 6.218 1.00 0.00 C ATOM 268 O SER A 21 0.502 -3.132 5.917 1.00 0.00 O ATOM 269 CB SER A 21 0.622 -0.746 8.071 1.00 0.00 C ATOM 270 OG SER A 21 -0.763 -1.081 8.094 1.00 0.00 O ATOM 0 H SER A 21 3.083 -0.699 8.200 1.00 0.00 H new ATOM 0 HA SER A 21 1.221 -2.823 8.250 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.919 -0.378 9.053 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.783 0.068 7.364 1.00 0.00 H new ATOM 0 HG SER A 21 -1.286 -0.292 8.346 1.00 0.00 H new ATOM 276 N CYS A 22 2.106 -1.641 5.282 1.00 0.00 N ATOM 277 CA CYS A 22 1.997 -1.789 3.827 1.00 0.00 C ATOM 278 C CYS A 22 2.413 -3.152 3.361 1.00 0.00 C ATOM 279 O CYS A 22 1.992 -3.608 2.300 1.00 0.00 O ATOM 280 CB CYS A 22 2.664 -0.687 2.982 1.00 0.00 C ATOM 281 SG CYS A 22 1.634 0.819 3.017 1.00 0.00 S ATOM 0 H CYS A 22 2.843 -0.989 5.551 1.00 0.00 H new ATOM 0 HA CYS A 22 0.930 -1.663 3.646 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.659 -0.469 3.371 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.791 -1.029 1.955 1.00 0.00 H new ATOM 0 HG CYS A 22 2.389 1.865 2.858 1.00 0.00 H new ATOM 286 N LYS A 23 3.190 -3.850 4.220 1.00 0.00 N ATOM 287 CA LYS A 23 3.633 -5.214 4.063 1.00 0.00 C ATOM 288 C LYS A 23 2.428 -6.131 4.143 1.00 0.00 C ATOM 289 O LYS A 23 2.067 -6.826 3.200 1.00 0.00 O ATOM 290 CB LYS A 23 4.680 -5.621 5.132 1.00 0.00 C ATOM 291 CG LYS A 23 5.235 -7.058 5.016 1.00 0.00 C ATOM 292 CD LYS A 23 6.035 -7.511 6.250 1.00 0.00 C ATOM 293 CE LYS A 23 6.548 -8.962 6.174 1.00 0.00 C ATOM 294 NZ LYS A 23 7.442 -9.182 5.038 1.00 0.00 N ATOM 0 H LYS A 23 3.533 -3.433 5.085 1.00 0.00 H new ATOM 0 HA LYS A 23 4.120 -5.303 3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.516 -4.923 5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.230 -5.504 6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.405 -7.747 4.858 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.874 -7.122 4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.886 -6.843 6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.407 -7.406 7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.072 -9.207 7.098 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.698 -9.641 6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.027 -10.023 5.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.879 -9.327 4.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.057 -8.352 4.914 1.00 0.00 H new ATOM 308 N VAL A 24 1.763 -6.079 5.317 1.00 0.00 N ATOM 309 CA VAL A 24 0.634 -6.884 5.745 1.00 0.00 C ATOM 310 C VAL A 24 -0.595 -6.647 4.915 1.00 0.00 C ATOM 311 O VAL A 24 -1.356 -7.568 4.622 1.00 0.00 O ATOM 312 CB VAL A 24 0.316 -6.636 7.251 1.00 0.00 C ATOM 313 CG1 VAL A 24 -0.763 -7.575 7.824 1.00 0.00 C ATOM 314 CG2 VAL A 24 1.586 -6.673 8.128 1.00 0.00 C ATOM 0 H VAL A 24 2.037 -5.412 6.039 1.00 0.00 H new ATOM 0 HA VAL A 24 0.926 -7.925 5.604 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.099 -5.629 7.284 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.928 -7.341 8.876 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.693 -7.440 7.272 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.432 -8.609 7.731 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.315 -6.495 9.169 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.062 -7.650 8.039 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.280 -5.900 7.797 1.00 0.00 H new ATOM 324 N PHE A 25 -0.755 -5.374 4.510 1.00 0.00 N ATOM 325 CA PHE A 25 -1.770 -4.791 3.674 1.00 0.00 C ATOM 326 C PHE A 25 -1.775 -5.465 2.335 1.00 0.00 C ATOM 327 O PHE A 25 -2.786 -6.013 1.915 1.00 0.00 O ATOM 328 CB PHE A 25 -1.427 -3.294 3.502 1.00 0.00 C ATOM 329 CG PHE A 25 -2.286 -2.547 2.523 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.677 -2.408 2.667 1.00 0.00 C ATOM 331 CD2 PHE A 25 -1.667 -2.117 1.341 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.436 -1.870 1.621 1.00 0.00 C ATOM 333 CE2 PHE A 25 -2.424 -1.605 0.296 1.00 0.00 C ATOM 334 CZ PHE A 25 -3.811 -1.482 0.427 1.00 0.00 C ATOM 0 H PHE A 25 -0.087 -4.663 4.807 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.755 -4.912 4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.504 -2.807 4.474 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.387 -3.211 3.185 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.160 -2.716 3.583 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.594 -2.185 1.243 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.504 -1.754 1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.941 -1.301 -0.621 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.399 -1.089 -0.389 1.00 0.00 H new ATOM 344 N PHE A 26 -0.583 -5.427 1.693 1.00 0.00 N ATOM 345 CA PHE A 26 -0.255 -5.938 0.380 1.00 0.00 C ATOM 346 C PHE A 26 -0.433 -7.428 0.303 1.00 0.00 C ATOM 347 O PHE A 26 -1.030 -7.944 -0.631 1.00 0.00 O ATOM 348 CB PHE A 26 1.193 -5.566 -0.036 1.00 0.00 C ATOM 349 CG PHE A 26 1.582 -6.044 -1.423 1.00 0.00 C ATOM 350 CD1 PHE A 26 0.967 -5.540 -2.582 1.00 0.00 C ATOM 351 CD2 PHE A 26 2.590 -7.010 -1.562 1.00 0.00 C ATOM 352 CE1 PHE A 26 1.374 -5.974 -3.853 1.00 0.00 C ATOM 353 CE2 PHE A 26 3.010 -7.426 -2.825 1.00 0.00 C ATOM 354 CZ PHE A 26 2.399 -6.924 -3.977 1.00 0.00 C ATOM 0 H PHE A 26 0.229 -4.997 2.135 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.950 -5.467 -0.315 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.305 -4.483 0.008 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.888 -5.988 0.690 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.174 -4.812 -2.494 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.046 -7.436 -0.681 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.898 -5.576 -4.737 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.814 -8.142 -2.913 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.713 -7.264 -4.953 1.00 0.00 H new ATOM 364 N LYS A 27 0.068 -8.146 1.323 1.00 0.00 N ATOM 365 CA LYS A 27 0.082 -9.595 1.409 1.00 0.00 C ATOM 366 C LYS A 27 -1.327 -10.156 1.578 1.00 0.00 C ATOM 367 O LYS A 27 -1.597 -11.289 1.178 1.00 0.00 O ATOM 368 CB LYS A 27 1.184 -10.085 2.387 1.00 0.00 C ATOM 369 CG LYS A 27 1.315 -11.606 2.624 1.00 0.00 C ATOM 370 CD LYS A 27 0.942 -12.058 4.051 1.00 0.00 C ATOM 371 CE LYS A 27 -0.524 -11.813 4.443 1.00 0.00 C ATOM 372 NZ LYS A 27 -0.789 -12.265 5.808 1.00 0.00 N ATOM 0 H LYS A 27 0.489 -7.702 2.139 1.00 0.00 H new ATOM 0 HA LYS A 27 0.393 -10.033 0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.143 -9.720 2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.010 -9.610 3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.678 -12.130 1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.342 -11.908 2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.156 -13.122 4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.585 -11.538 4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.753 -10.751 4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.181 -12.338 3.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.814 -12.376 5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.318 -13.178 5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.424 -11.563 6.483 1.00 0.00 H new ATOM 386 N ARG A 28 -2.271 -9.327 2.109 1.00 0.00 N ATOM 387 CA ARG A 28 -3.688 -9.636 2.221 1.00 0.00 C ATOM 388 C ARG A 28 -4.388 -9.239 0.944 1.00 0.00 C ATOM 389 O ARG A 28 -5.264 -9.944 0.459 1.00 0.00 O ATOM 390 CB ARG A 28 -4.378 -8.916 3.411 1.00 0.00 C ATOM 391 CG ARG A 28 -4.874 -9.870 4.512 1.00 0.00 C ATOM 392 CD ARG A 28 -3.737 -10.615 5.236 1.00 0.00 C ATOM 393 NE ARG A 28 -4.280 -11.413 6.398 1.00 0.00 N ATOM 394 CZ ARG A 28 -4.995 -12.573 6.237 1.00 0.00 C ATOM 395 NH1 ARG A 28 -4.892 -13.332 5.108 1.00 0.00 N ATOM 396 NH2 ARG A 28 -5.818 -12.985 7.247 1.00 0.00 N ATOM 0 H ARG A 28 -2.038 -8.404 2.475 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.763 -10.709 2.400 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.678 -8.205 3.848 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.223 -8.340 3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.449 -9.301 5.243 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.553 -10.600 4.071 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.228 -11.279 4.538 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.996 -9.900 5.593 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.107 -11.074 7.345 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.270 -13.042 4.353 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.437 -14.190 5.018 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.893 -12.433 8.101 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.358 -13.845 7.146 1.00 0.00 H new ATOM 410 N ALA A 29 -3.969 -8.094 0.366 1.00 0.00 N ATOM 411 CA ALA A 29 -4.505 -7.429 -0.812 1.00 0.00 C ATOM 412 C ALA A 29 -4.267 -8.173 -2.103 1.00 0.00 C ATOM 413 O ALA A 29 -4.887 -7.874 -3.122 1.00 0.00 O ATOM 414 CB ALA A 29 -3.907 -6.027 -0.994 1.00 0.00 C ATOM 0 H ALA A 29 -3.180 -7.577 0.754 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.577 -7.386 -0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.332 -5.563 -1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.138 -5.417 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.826 -6.104 -1.106 1.00 0.00 H new ATOM 420 N VAL A 30 -3.342 -9.156 -2.065 1.00 0.00 N ATOM 421 CA VAL A 30 -2.930 -9.971 -3.180 1.00 0.00 C ATOM 422 C VAL A 30 -3.617 -11.309 -3.041 1.00 0.00 C ATOM 423 O VAL A 30 -4.637 -11.561 -3.679 1.00 0.00 O ATOM 424 CB VAL A 30 -1.375 -10.098 -3.276 1.00 0.00 C ATOM 425 CG1 VAL A 30 -0.913 -11.051 -4.393 1.00 0.00 C ATOM 426 CG2 VAL A 30 -0.663 -8.740 -3.451 1.00 0.00 C ATOM 0 H VAL A 30 -2.851 -9.398 -1.204 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.227 -9.502 -4.118 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.086 -10.521 -2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.176 -11.095 -4.407 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.314 -12.048 -4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.273 -10.686 -5.355 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.414 -8.899 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.011 -8.262 -4.367 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.888 -8.099 -2.599 1.00 0.00 H new ATOM 436 N GLU A 31 -3.033 -12.194 -2.196 1.00 0.00 N ATOM 437 CA GLU A 31 -3.456 -13.562 -1.968 1.00 0.00 C ATOM 438 C GLU A 31 -4.276 -13.618 -0.709 1.00 0.00 C ATOM 439 O GLU A 31 -3.965 -14.329 0.247 1.00 0.00 O ATOM 440 CB GLU A 31 -2.285 -14.573 -1.885 1.00 0.00 C ATOM 441 CG GLU A 31 -1.464 -14.681 -3.190 1.00 0.00 C ATOM 442 CD GLU A 31 -0.479 -15.853 -3.127 1.00 0.00 C ATOM 443 OE1 GLU A 31 0.461 -15.795 -2.290 1.00 0.00 O ATOM 444 OE2 GLU A 31 -0.654 -16.818 -3.919 1.00 0.00 O ATOM 0 H GLU A 31 -2.217 -11.943 -1.638 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.048 -13.861 -2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.621 -14.280 -1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.683 -15.556 -1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.137 -14.813 -4.037 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.919 -13.752 -3.358 1.00 0.00 H new ATOM 451 N GLY A 32 -5.387 -12.860 -0.727 1.00 0.00 N ATOM 452 CA GLY A 32 -6.322 -12.829 0.376 1.00 0.00 C ATOM 453 C GLY A 32 -7.557 -12.115 -0.058 1.00 0.00 C ATOM 454 O GLY A 32 -7.944 -12.179 -1.224 1.00 0.00 O ATOM 0 H GLY A 32 -5.647 -12.260 -1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.565 -13.843 0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.877 -12.325 1.234 1.00 0.00 H new ATOM 458 N GLN A 33 -8.201 -11.405 0.906 1.00 0.00 N ATOM 459 CA GLN A 33 -9.381 -10.596 0.690 1.00 0.00 C ATOM 460 C GLN A 33 -8.889 -9.177 0.692 1.00 0.00 C ATOM 461 O GLN A 33 -7.930 -8.851 1.392 1.00 0.00 O ATOM 462 CB GLN A 33 -10.502 -10.773 1.743 1.00 0.00 C ATOM 463 CG GLN A 33 -10.091 -10.572 3.225 1.00 0.00 C ATOM 464 CD GLN A 33 -11.298 -10.138 4.074 1.00 0.00 C ATOM 465 OE1 GLN A 33 -11.825 -10.917 4.876 1.00 0.00 O ATOM 466 NE2 GLN A 33 -11.724 -8.851 3.875 1.00 0.00 N ATOM 0 H GLN A 33 -7.886 -11.395 1.876 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.852 -10.901 -0.244 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.303 -10.070 1.512 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.917 -11.775 1.636 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.677 -11.499 3.621 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.306 -9.819 3.290 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.248 -8.255 3.198 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.517 -8.489 4.404 1.00 0.00 H new ATOM 475 N HIS A 34 -9.539 -8.308 -0.117 1.00 0.00 N ATOM 476 CA HIS A 34 -9.131 -6.934 -0.289 1.00 0.00 C ATOM 477 C HIS A 34 -10.334 -6.086 0.033 1.00 0.00 C ATOM 478 O HIS A 34 -10.516 -5.722 1.194 1.00 0.00 O ATOM 479 CB HIS A 34 -8.483 -6.652 -1.674 1.00 0.00 C ATOM 480 CG HIS A 34 -8.155 -7.893 -2.479 1.00 0.00 C ATOM 481 ND1 HIS A 34 -8.578 -7.992 -3.794 1.00 0.00 N ATOM 482 CD2 HIS A 34 -7.435 -8.999 -2.133 1.00 0.00 C ATOM 483 CE1 HIS A 34 -8.110 -9.153 -4.212 1.00 0.00 C ATOM 484 NE2 HIS A 34 -7.412 -9.803 -3.248 1.00 0.00 N ATOM 0 H HIS A 34 -10.363 -8.562 -0.662 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.319 -6.680 0.393 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -9.158 -6.025 -2.256 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.568 -6.080 -1.523 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.976 -9.202 -1.177 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.265 -9.541 -5.208 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.958 -10.712 -3.334 1.00 0.00 H new ATOM 492 N ASN A 35 -11.185 -5.762 -0.986 1.00 0.00 N ATOM 493 CA ASN A 35 -12.407 -4.960 -0.936 1.00 0.00 C ATOM 494 C ASN A 35 -12.204 -3.586 -0.319 1.00 0.00 C ATOM 495 O ASN A 35 -12.497 -3.359 0.855 1.00 0.00 O ATOM 496 CB ASN A 35 -13.713 -5.693 -0.484 1.00 0.00 C ATOM 497 CG ASN A 35 -13.637 -6.430 0.871 1.00 0.00 C ATOM 498 OD1 ASN A 35 -13.825 -5.821 1.931 1.00 0.00 O ATOM 499 ND2 ASN A 35 -13.362 -7.768 0.814 1.00 0.00 N ATOM 0 H ASN A 35 -11.002 -6.091 -1.934 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.621 -4.780 -1.990 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -14.519 -4.961 -0.433 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.987 -6.415 -1.254 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.304 -8.314 1.674 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.215 -8.221 -0.088 1.00 0.00 H new ATOM 506 N TYR A 36 -11.671 -2.644 -1.137 1.00 0.00 N ATOM 507 CA TYR A 36 -11.343 -1.281 -0.761 1.00 0.00 C ATOM 508 C TYR A 36 -12.165 -0.293 -1.549 1.00 0.00 C ATOM 509 O TYR A 36 -12.660 0.678 -0.979 1.00 0.00 O ATOM 510 CB TYR A 36 -9.832 -0.952 -0.820 1.00 0.00 C ATOM 511 CG TYR A 36 -8.939 -2.075 -0.334 1.00 0.00 C ATOM 512 CD1 TYR A 36 -9.026 -2.506 1.003 1.00 0.00 C ATOM 513 CD2 TYR A 36 -7.939 -2.635 -1.155 1.00 0.00 C ATOM 514 CE1 TYR A 36 -8.153 -3.477 1.505 1.00 0.00 C ATOM 515 CE2 TYR A 36 -7.054 -3.596 -0.651 1.00 0.00 C ATOM 516 CZ TYR A 36 -7.167 -4.026 0.679 1.00 0.00 C ATOM 517 OH TYR A 36 -6.290 -5.006 1.195 1.00 0.00 O ATOM 0 H TYR A 36 -11.456 -2.840 -2.115 1.00 0.00 H new ATOM 0 HA TYR A 36 -11.607 -1.190 0.293 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.564 -0.707 -1.848 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -9.640 -0.063 -0.219 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.778 -2.081 1.651 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.855 -2.319 -2.184 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.240 -3.803 2.531 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.284 -4.006 -1.287 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.747 -5.518 1.894 1.00 0.00 H new ATOM 597 N ASN A 42 -9.629 6.183 -8.996 1.00 0.00 N ATOM 598 CA ASN A 42 -8.219 6.439 -8.777 1.00 0.00 C ATOM 599 C ASN A 42 -8.085 7.947 -8.784 1.00 0.00 C ATOM 600 O ASN A 42 -7.478 8.540 -9.677 1.00 0.00 O ATOM 601 CB ASN A 42 -7.259 5.685 -9.748 1.00 0.00 C ATOM 602 CG ASN A 42 -5.763 5.880 -9.413 1.00 0.00 C ATOM 603 OD1 ASN A 42 -5.357 5.710 -8.257 1.00 0.00 O ATOM 604 ND2 ASN A 42 -4.949 6.240 -10.450 1.00 0.00 N ATOM 0 HA ASN A 42 -7.890 6.027 -7.823 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.493 4.621 -9.723 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.443 6.028 -10.766 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.952 6.382 -10.290 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.339 6.366 -11.384 1.00 0.00 H new ATOM 611 N ASP A 43 -8.733 8.578 -7.781 1.00 0.00 N ATOM 612 CA ASP A 43 -8.771 10.010 -7.611 1.00 0.00 C ATOM 613 C ASP A 43 -7.902 10.431 -6.474 1.00 0.00 C ATOM 614 O ASP A 43 -7.006 11.253 -6.658 1.00 0.00 O ATOM 615 CB ASP A 43 -10.194 10.601 -7.343 1.00 0.00 C ATOM 616 CG ASP A 43 -11.310 9.641 -6.885 1.00 0.00 C ATOM 617 OD1 ASP A 43 -11.131 8.926 -5.868 1.00 0.00 O ATOM 618 OD2 ASP A 43 -12.377 9.639 -7.557 1.00 0.00 O ATOM 0 H ASP A 43 -9.251 8.075 -7.060 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.419 10.399 -8.566 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.094 11.379 -6.586 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.530 11.088 -8.259 1.00 0.00 H new ATOM 623 N CYS A 44 -8.158 9.879 -5.266 1.00 0.00 N ATOM 624 CA CYS A 44 -7.538 10.240 -4.024 1.00 0.00 C ATOM 625 C CYS A 44 -6.035 10.019 -3.994 1.00 0.00 C ATOM 626 O CYS A 44 -5.504 9.141 -4.674 1.00 0.00 O ATOM 627 CB CYS A 44 -8.194 9.528 -2.788 1.00 0.00 C ATOM 628 SG CYS A 44 -9.488 8.276 -3.135 1.00 0.00 S ATOM 0 H CYS A 44 -8.843 9.132 -5.153 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.713 11.313 -3.950 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.402 9.046 -2.216 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.629 10.295 -2.147 1.00 0.00 H new ATOM 0 HG CYS A 44 -9.083 7.109 -2.729 1.00 0.00 H new ATOM 633 N ILE A 45 -5.329 10.837 -3.173 1.00 0.00 N ATOM 634 CA ILE A 45 -3.895 10.778 -2.962 1.00 0.00 C ATOM 635 C ILE A 45 -3.755 9.955 -1.712 1.00 0.00 C ATOM 636 O ILE A 45 -4.576 10.066 -0.808 1.00 0.00 O ATOM 637 CB ILE A 45 -3.242 12.184 -2.766 1.00 0.00 C ATOM 638 CG1 ILE A 45 -3.551 13.132 -3.955 1.00 0.00 C ATOM 639 CG2 ILE A 45 -1.723 12.142 -2.465 1.00 0.00 C ATOM 640 CD1 ILE A 45 -2.965 12.699 -5.309 1.00 0.00 C ATOM 0 H ILE A 45 -5.776 11.575 -2.629 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.385 10.358 -3.829 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.710 12.590 -1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.633 13.220 -4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.172 14.125 -3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.348 13.158 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.549 11.578 -1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.201 11.660 -3.292 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.237 13.427 -6.073 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.879 12.641 -5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.362 11.721 -5.582 1.00 0.00 H new ATOM 652 N ILE A 46 -2.708 9.102 -1.655 1.00 0.00 N ATOM 653 CA ILE A 46 -2.418 8.234 -0.540 1.00 0.00 C ATOM 654 C ILE A 46 -1.059 8.667 -0.092 1.00 0.00 C ATOM 655 O ILE A 46 -0.073 8.580 -0.824 1.00 0.00 O ATOM 656 CB ILE A 46 -2.541 6.720 -0.916 1.00 0.00 C ATOM 657 CG1 ILE A 46 -3.898 6.120 -0.478 1.00 0.00 C ATOM 658 CG2 ILE A 46 -1.429 5.757 -0.443 1.00 0.00 C ATOM 659 CD1 ILE A 46 -5.146 6.947 -0.773 1.00 0.00 C ATOM 0 H ILE A 46 -2.035 9.012 -2.416 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.137 8.321 0.275 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.438 6.777 -2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.012 5.150 -0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.858 5.938 0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.656 4.746 -0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.473 6.073 -0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.373 5.772 0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.028 6.415 -0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.073 7.909 -0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.230 7.109 -1.848 1.00 0.00 H new ATOM 671 N ASP A 47 -1.021 9.157 1.161 1.00 0.00 N ATOM 672 CA ASP A 47 0.171 9.586 1.832 1.00 0.00 C ATOM 673 C ASP A 47 -0.147 9.381 3.288 1.00 0.00 C ATOM 674 O ASP A 47 -1.136 8.733 3.615 1.00 0.00 O ATOM 675 CB ASP A 47 0.727 10.985 1.449 1.00 0.00 C ATOM 676 CG ASP A 47 -0.225 12.160 1.711 1.00 0.00 C ATOM 677 OD1 ASP A 47 -1.272 12.231 1.017 1.00 0.00 O ATOM 678 OD2 ASP A 47 0.086 12.994 2.602 1.00 0.00 O ATOM 0 H ASP A 47 -1.859 9.259 1.733 1.00 0.00 H new ATOM 0 HA ASP A 47 1.033 9.000 1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.650 11.156 2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.987 10.978 0.390 1.00 0.00 H new ATOM 683 N LYS A 48 0.682 9.947 4.199 1.00 0.00 N ATOM 684 CA LYS A 48 0.641 9.758 5.641 1.00 0.00 C ATOM 685 C LYS A 48 -0.581 10.316 6.340 1.00 0.00 C ATOM 686 O LYS A 48 -0.792 10.070 7.526 1.00 0.00 O ATOM 687 CB LYS A 48 1.937 10.310 6.286 1.00 0.00 C ATOM 688 CG LYS A 48 2.414 9.589 7.565 1.00 0.00 C ATOM 689 CD LYS A 48 2.113 10.289 8.905 1.00 0.00 C ATOM 690 CE LYS A 48 2.940 11.564 9.138 1.00 0.00 C ATOM 691 NZ LYS A 48 2.617 12.163 10.431 1.00 0.00 N ATOM 0 H LYS A 48 1.431 10.578 3.916 1.00 0.00 H new ATOM 0 HA LYS A 48 0.568 8.680 5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.736 10.263 5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.782 11.363 6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.959 8.599 7.588 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.492 9.442 7.492 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.054 10.542 8.942 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.302 9.590 9.720 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.003 11.326 9.098 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.744 12.281 8.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.187 13.022 10.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.607 12.409 10.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.827 11.484 11.190 1.00 0.00 H new ATOM 705 N ILE A 49 -1.427 11.060 5.598 1.00 0.00 N ATOM 706 CA ILE A 49 -2.609 11.709 6.100 1.00 0.00 C ATOM 707 C ILE A 49 -3.815 11.132 5.418 1.00 0.00 C ATOM 708 O ILE A 49 -4.781 10.736 6.068 1.00 0.00 O ATOM 709 CB ILE A 49 -2.508 13.251 5.888 1.00 0.00 C ATOM 710 CG1 ILE A 49 -1.383 13.887 6.746 1.00 0.00 C ATOM 711 CG2 ILE A 49 -3.847 14.008 6.035 1.00 0.00 C ATOM 712 CD1 ILE A 49 -1.557 13.743 8.267 1.00 0.00 C ATOM 0 H ILE A 49 -1.282 11.218 4.601 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.703 11.534 7.172 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.233 13.370 4.840 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.432 13.436 6.461 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.318 14.948 6.503 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.683 15.073 5.872 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.559 13.634 5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.245 13.852 7.038 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.719 14.220 8.776 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.488 14.221 8.574 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.588 12.686 8.531 1.00 0.00 H new ATOM 724 N ARG A 50 -3.776 11.117 4.072 1.00 0.00 N ATOM 725 CA ARG A 50 -4.887 10.761 3.213 1.00 0.00 C ATOM 726 C ARG A 50 -5.064 9.274 3.006 1.00 0.00 C ATOM 727 O ARG A 50 -5.974 8.858 2.291 1.00 0.00 O ATOM 728 CB ARG A 50 -4.797 11.464 1.840 1.00 0.00 C ATOM 729 CG ARG A 50 -5.079 12.982 1.868 1.00 0.00 C ATOM 730 CD ARG A 50 -3.832 13.874 2.017 1.00 0.00 C ATOM 731 NE ARG A 50 -4.229 15.327 2.116 1.00 0.00 N ATOM 732 CZ ARG A 50 -4.705 16.045 1.045 1.00 0.00 C ATOM 733 NH1 ARG A 50 -4.490 15.648 -0.244 1.00 0.00 N ATOM 734 NH2 ARG A 50 -5.407 17.193 1.279 1.00 0.00 N ATOM 0 H ARG A 50 -2.935 11.363 3.550 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.767 11.113 3.751 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.800 11.302 1.430 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.503 10.990 1.158 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.596 13.257 0.949 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.760 13.195 2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.273 13.582 2.906 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.170 13.729 1.163 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.140 15.797 3.017 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.963 14.796 -0.434 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.857 16.204 -1.017 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.570 17.505 2.236 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.768 17.739 0.496 1.00 0.00 H new ATOM 748 N ARG A 51 -4.246 8.430 3.686 1.00 0.00 N ATOM 749 CA ARG A 51 -4.301 6.972 3.552 1.00 0.00 C ATOM 750 C ARG A 51 -5.505 6.345 4.224 1.00 0.00 C ATOM 751 O ARG A 51 -5.913 5.237 3.880 1.00 0.00 O ATOM 752 CB ARG A 51 -3.026 6.181 3.936 1.00 0.00 C ATOM 753 CG ARG A 51 -2.694 5.966 5.431 1.00 0.00 C ATOM 754 CD ARG A 51 -2.455 7.245 6.252 1.00 0.00 C ATOM 755 NE ARG A 51 -2.157 6.891 7.690 1.00 0.00 N ATOM 756 CZ ARG A 51 -0.969 6.327 8.087 1.00 0.00 C ATOM 757 NH1 ARG A 51 0.179 6.480 7.365 1.00 0.00 N ATOM 758 NH2 ARG A 51 -0.937 5.599 9.243 1.00 0.00 N ATOM 0 H ARG A 51 -3.533 8.753 4.340 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.392 6.875 2.470 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.097 5.198 3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.175 6.688 3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.512 5.410 5.889 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.804 5.340 5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.624 7.808 5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.334 7.888 6.202 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.868 7.079 8.396 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.171 7.026 6.504 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.045 6.048 7.687 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.786 5.482 9.795 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.064 5.173 9.553 1.00 0.00 H new ATOM 772 N LYS A 52 -6.082 7.067 5.216 1.00 0.00 N ATOM 773 CA LYS A 52 -7.199 6.668 6.036 1.00 0.00 C ATOM 774 C LYS A 52 -8.478 7.287 5.529 1.00 0.00 C ATOM 775 O LYS A 52 -9.434 7.512 6.270 1.00 0.00 O ATOM 776 CB LYS A 52 -6.956 7.028 7.513 1.00 0.00 C ATOM 777 CG LYS A 52 -6.439 8.460 7.761 1.00 0.00 C ATOM 778 CD LYS A 52 -6.284 8.817 9.252 1.00 0.00 C ATOM 779 CE LYS A 52 -5.632 10.190 9.503 1.00 0.00 C ATOM 780 NZ LYS A 52 -6.431 11.293 8.966 1.00 0.00 N ATOM 0 H LYS A 52 -5.742 7.997 5.461 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.299 5.584 5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.889 6.895 8.061 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.238 6.322 7.930 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.475 8.579 7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.125 9.169 7.297 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.267 8.802 9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.685 8.047 9.739 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.494 10.333 10.575 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.641 10.207 9.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.951 12.195 9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.542 11.173 7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.368 11.295 9.418 1.00 0.00 H new ATOM 794 N ASN A 53 -8.492 7.546 4.209 1.00 0.00 N ATOM 795 CA ASN A 53 -9.580 8.082 3.430 1.00 0.00 C ATOM 796 C ASN A 53 -9.921 7.017 2.426 1.00 0.00 C ATOM 797 O ASN A 53 -11.070 6.905 2.002 1.00 0.00 O ATOM 798 CB ASN A 53 -9.272 9.394 2.645 1.00 0.00 C ATOM 799 CG ASN A 53 -8.919 10.565 3.584 1.00 0.00 C ATOM 800 OD1 ASN A 53 -9.078 10.499 4.806 1.00 0.00 O ATOM 801 ND2 ASN A 53 -8.434 11.685 2.964 1.00 0.00 N ATOM 0 H ASN A 53 -7.671 7.366 3.632 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.378 8.345 4.124 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.444 9.219 1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.137 9.664 2.039 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.189 12.507 3.515 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.318 11.697 1.951 1.00 0.00 H new ATOM 808 N CYS A 54 -8.907 6.210 2.019 1.00 0.00 N ATOM 809 CA CYS A 54 -9.051 5.193 1.009 1.00 0.00 C ATOM 810 C CYS A 54 -7.849 4.279 1.176 1.00 0.00 C ATOM 811 O CYS A 54 -6.723 4.762 1.055 1.00 0.00 O ATOM 812 CB CYS A 54 -9.067 5.846 -0.401 1.00 0.00 C ATOM 813 SG CYS A 54 -9.130 4.768 -1.859 1.00 0.00 S ATOM 0 H CYS A 54 -7.964 6.269 2.404 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.983 4.638 1.111 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.927 6.514 -0.446 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.176 6.468 -0.488 1.00 0.00 H new ATOM 0 HG CYS A 54 -8.311 5.214 -2.764 1.00 0.00 H new ATOM 818 N PRO A 55 -8.043 2.959 1.396 1.00 0.00 N ATOM 819 CA PRO A 55 -6.961 1.982 1.381 1.00 0.00 C ATOM 820 C PRO A 55 -6.990 1.184 0.083 1.00 0.00 C ATOM 821 O PRO A 55 -6.614 0.015 0.093 1.00 0.00 O ATOM 822 CB PRO A 55 -7.293 1.126 2.592 1.00 0.00 C ATOM 823 CG PRO A 55 -8.828 1.065 2.598 1.00 0.00 C ATOM 824 CD PRO A 55 -9.265 2.404 1.982 1.00 0.00 C ATOM 0 HA PRO A 55 -5.959 2.408 1.427 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -6.855 0.131 2.509 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.908 1.569 3.511 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.195 0.220 2.014 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.217 0.947 3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.037 2.259 1.226 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.680 3.071 2.738 1.00 0.00 H new ATOM 832 N ALA A 56 -7.420 1.765 -1.068 1.00 0.00 N ATOM 833 CA ALA A 56 -7.570 1.108 -2.343 1.00 0.00 C ATOM 834 C ALA A 56 -6.469 1.594 -3.224 1.00 0.00 C ATOM 835 O ALA A 56 -5.780 0.800 -3.858 1.00 0.00 O ATOM 836 CB ALA A 56 -8.901 1.429 -3.023 1.00 0.00 C ATOM 0 H ALA A 56 -7.677 2.751 -1.107 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.539 0.031 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.957 0.907 -3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.723 1.106 -2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.973 2.503 -3.192 1.00 0.00 H new ATOM 842 N CYS A 57 -6.269 2.942 -3.228 1.00 0.00 N ATOM 843 CA CYS A 57 -5.227 3.688 -3.893 1.00 0.00 C ATOM 844 C CYS A 57 -3.848 3.262 -3.474 1.00 0.00 C ATOM 845 O CYS A 57 -2.935 3.254 -4.287 1.00 0.00 O ATOM 846 CB CYS A 57 -5.376 5.202 -3.672 1.00 0.00 C ATOM 847 SG CYS A 57 -6.753 5.983 -4.588 1.00 0.00 S ATOM 0 H CYS A 57 -6.898 3.561 -2.717 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.346 3.466 -4.954 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.517 5.387 -2.607 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.445 5.690 -3.960 1.00 0.00 H new ATOM 0 HG CYS A 57 -6.493 7.243 -4.771 1.00 0.00 H new ATOM 852 N ARG A 58 -3.723 2.835 -2.200 1.00 0.00 N ATOM 853 CA ARG A 58 -2.582 2.250 -1.534 1.00 0.00 C ATOM 854 C ARG A 58 -2.085 1.008 -2.222 1.00 0.00 C ATOM 855 O ARG A 58 -0.880 0.780 -2.285 1.00 0.00 O ATOM 856 CB ARG A 58 -2.943 1.774 -0.106 1.00 0.00 C ATOM 857 CG ARG A 58 -3.056 2.900 0.928 1.00 0.00 C ATOM 858 CD ARG A 58 -1.850 2.996 1.883 1.00 0.00 C ATOM 859 NE ARG A 58 -1.801 1.813 2.826 1.00 0.00 N ATOM 860 CZ ARG A 58 -2.675 1.642 3.871 1.00 0.00 C ATOM 861 NH1 ARG A 58 -3.394 2.677 4.391 1.00 0.00 N ATOM 862 NH2 ARG A 58 -2.816 0.396 4.416 1.00 0.00 N ATOM 0 H ARG A 58 -4.514 2.908 -1.560 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.831 3.040 -1.539 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.890 1.236 -0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.187 1.064 0.229 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.169 3.850 0.405 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.961 2.750 1.516 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.927 3.041 1.304 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.911 3.920 2.458 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.081 1.106 2.677 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.291 3.615 4.003 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.035 2.514 5.168 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.277 -0.387 4.046 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.460 0.249 5.193 1.00 0.00 H new ATOM 876 N TYR A 59 -3.025 0.172 -2.745 1.00 0.00 N ATOM 877 CA TYR A 59 -2.736 -1.092 -3.399 1.00 0.00 C ATOM 878 C TYR A 59 -2.180 -0.801 -4.773 1.00 0.00 C ATOM 879 O TYR A 59 -1.239 -1.449 -5.227 1.00 0.00 O ATOM 880 CB TYR A 59 -4.000 -1.986 -3.484 1.00 0.00 C ATOM 881 CG TYR A 59 -3.758 -3.365 -4.080 1.00 0.00 C ATOM 882 CD1 TYR A 59 -2.704 -4.191 -3.636 1.00 0.00 C ATOM 883 CD2 TYR A 59 -4.590 -3.840 -5.112 1.00 0.00 C ATOM 884 CE1 TYR A 59 -2.486 -5.450 -4.213 1.00 0.00 C ATOM 885 CE2 TYR A 59 -4.377 -5.099 -5.686 1.00 0.00 C ATOM 886 CZ TYR A 59 -3.326 -5.906 -5.236 1.00 0.00 C ATOM 887 OH TYR A 59 -3.111 -7.176 -5.816 1.00 0.00 O ATOM 0 H TYR A 59 -4.022 0.383 -2.712 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.001 -1.645 -2.814 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.414 -2.104 -2.483 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.753 -1.473 -4.082 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.057 -3.849 -2.842 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.404 -3.224 -5.466 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.670 -6.068 -3.868 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.024 -5.448 -6.477 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.784 -7.337 -6.510 1.00 0.00 H new ATOM 897 N ARG A 60 -2.726 0.260 -5.413 1.00 0.00 N ATOM 898 CA ARG A 60 -2.355 0.755 -6.718 1.00 0.00 C ATOM 899 C ARG A 60 -0.991 1.404 -6.682 1.00 0.00 C ATOM 900 O ARG A 60 -0.194 1.250 -7.603 1.00 0.00 O ATOM 901 CB ARG A 60 -3.396 1.741 -7.299 1.00 0.00 C ATOM 902 CG ARG A 60 -4.844 1.202 -7.264 1.00 0.00 C ATOM 903 CD ARG A 60 -5.912 2.229 -7.692 1.00 0.00 C ATOM 904 NE ARG A 60 -5.875 2.466 -9.183 1.00 0.00 N ATOM 905 CZ ARG A 60 -6.354 1.561 -10.096 1.00 0.00 C ATOM 906 NH1 ARG A 60 -7.267 0.607 -9.753 1.00 0.00 N ATOM 907 NH2 ARG A 60 -5.919 1.634 -11.390 1.00 0.00 N ATOM 0 H ARG A 60 -3.476 0.809 -4.992 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.323 -0.112 -7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.351 2.675 -6.739 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.128 1.974 -8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.911 0.331 -7.916 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.068 0.861 -6.253 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.900 1.872 -7.402 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.746 3.170 -7.167 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.475 3.339 -9.527 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.612 0.553 -8.795 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.604 -0.052 -10.455 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.249 2.353 -11.663 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.264 0.969 -12.082 1.00 0.00 H new ATOM 921 N LYS A 61 -0.708 2.114 -5.560 1.00 0.00 N ATOM 922 CA LYS A 61 0.454 2.920 -5.299 1.00 0.00 C ATOM 923 C LYS A 61 1.693 2.104 -5.084 1.00 0.00 C ATOM 924 O LYS A 61 2.730 2.369 -5.689 1.00 0.00 O ATOM 925 CB LYS A 61 0.154 3.872 -4.124 1.00 0.00 C ATOM 926 CG LYS A 61 1.224 4.926 -3.821 1.00 0.00 C ATOM 927 CD LYS A 61 1.267 6.089 -4.828 1.00 0.00 C ATOM 928 CE LYS A 61 2.520 6.974 -4.706 1.00 0.00 C ATOM 929 NZ LYS A 61 3.718 6.286 -5.191 1.00 0.00 N ATOM 0 H LYS A 61 -1.353 2.121 -4.770 1.00 0.00 H new ATOM 0 HA LYS A 61 0.670 3.517 -6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.785 4.386 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.001 3.272 -3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.048 5.330 -2.824 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.200 4.441 -3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.218 5.684 -5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.381 6.709 -4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.373 7.893 -5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.662 7.262 -3.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.522 6.946 -5.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.930 5.479 -4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.554 5.944 -6.159 1.00 0.00 H new ATOM 943 N CYS A 62 1.574 1.055 -4.239 1.00 0.00 N ATOM 944 CA CYS A 62 2.623 0.120 -3.888 1.00 0.00 C ATOM 945 C CYS A 62 3.057 -0.709 -5.080 1.00 0.00 C ATOM 946 O CYS A 62 4.242 -0.971 -5.257 1.00 0.00 O ATOM 947 CB CYS A 62 2.307 -0.723 -2.623 1.00 0.00 C ATOM 948 SG CYS A 62 0.939 -1.931 -2.767 1.00 0.00 S ATOM 0 H CYS A 62 0.694 0.843 -3.770 1.00 0.00 H new ATOM 0 HA CYS A 62 3.487 0.719 -3.599 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.210 -1.263 -2.338 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.074 -0.039 -1.807 1.00 0.00 H new ATOM 0 HG CYS A 62 0.189 -1.619 -3.782 1.00 0.00 H new ATOM 954 N LEU A 63 2.082 -1.061 -5.965 1.00 0.00 N ATOM 955 CA LEU A 63 2.271 -1.810 -7.194 1.00 0.00 C ATOM 956 C LEU A 63 3.041 -0.985 -8.202 1.00 0.00 C ATOM 957 O LEU A 63 3.909 -1.516 -8.895 1.00 0.00 O ATOM 958 CB LEU A 63 0.947 -2.312 -7.818 1.00 0.00 C ATOM 959 CG LEU A 63 0.356 -3.573 -7.139 1.00 0.00 C ATOM 960 CD1 LEU A 63 -1.090 -3.830 -7.604 1.00 0.00 C ATOM 961 CD2 LEU A 63 1.236 -4.819 -7.365 1.00 0.00 C ATOM 0 H LEU A 63 1.106 -0.808 -5.813 1.00 0.00 H new ATOM 0 HA LEU A 63 2.845 -2.697 -6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.210 -1.510 -7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.116 -2.528 -8.873 1.00 0.00 H new ATOM 0 HG LEU A 63 0.340 -3.378 -6.067 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.478 -4.721 -7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.713 -2.973 -7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.104 -3.978 -8.684 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.783 -5.679 -6.871 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.319 -5.017 -8.434 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.228 -4.644 -6.950 1.00 0.00 H new ATOM 973 N GLN A 64 2.772 0.357 -8.248 1.00 0.00 N ATOM 974 CA GLN A 64 3.427 1.331 -9.110 1.00 0.00 C ATOM 975 C GLN A 64 4.873 1.507 -8.717 1.00 0.00 C ATOM 976 O GLN A 64 5.742 1.703 -9.567 1.00 0.00 O ATOM 977 CB GLN A 64 2.724 2.710 -9.145 1.00 0.00 C ATOM 978 CG GLN A 64 1.423 2.738 -9.981 1.00 0.00 C ATOM 979 CD GLN A 64 1.705 2.752 -11.495 1.00 0.00 C ATOM 980 OE1 GLN A 64 1.521 1.734 -12.174 1.00 0.00 O ATOM 981 NE2 GLN A 64 2.155 3.934 -12.015 1.00 0.00 N ATOM 0 H GLN A 64 2.061 0.782 -7.653 1.00 0.00 H new ATOM 0 HA GLN A 64 3.361 0.920 -10.117 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.493 3.013 -8.124 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.417 3.448 -9.548 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.816 1.867 -9.734 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.840 3.619 -9.713 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.288 4.741 -11.406 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.357 4.008 -13.012 1.00 0.00 H new ATOM 990 N ALA A 65 5.136 1.373 -7.390 1.00 0.00 N ATOM 991 CA ALA A 65 6.430 1.481 -6.740 1.00 0.00 C ATOM 992 C ALA A 65 7.344 0.349 -7.137 1.00 0.00 C ATOM 993 O ALA A 65 8.554 0.531 -7.265 1.00 0.00 O ATOM 994 CB ALA A 65 6.344 1.633 -5.214 1.00 0.00 C ATOM 0 H ALA A 65 4.391 1.175 -6.722 1.00 0.00 H new ATOM 0 HA ALA A 65 6.867 2.411 -7.102 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.349 1.708 -4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.782 2.534 -4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.840 0.765 -4.790 1.00 0.00 H new ATOM 1000 N GLY A 66 6.741 -0.841 -7.354 1.00 0.00 N ATOM 1001 CA GLY A 66 7.407 -2.020 -7.858 1.00 0.00 C ATOM 1002 C GLY A 66 7.250 -3.179 -6.931 1.00 0.00 C ATOM 1003 O GLY A 66 8.095 -4.074 -6.936 1.00 0.00 O ATOM 0 H GLY A 66 5.749 -0.992 -7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.000 -2.278 -8.836 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.467 -1.807 -7.999 1.00 0.00 H new ATOM 1007 N MET A 67 6.140 -3.224 -6.136 1.00 0.00 N ATOM 1008 CA MET A 67 5.887 -4.278 -5.154 1.00 0.00 C ATOM 1009 C MET A 67 5.612 -5.598 -5.828 1.00 0.00 C ATOM 1010 O MET A 67 5.018 -5.637 -6.906 1.00 0.00 O ATOM 1011 CB MET A 67 4.720 -4.016 -4.174 1.00 0.00 C ATOM 1012 CG MET A 67 5.143 -3.235 -2.916 1.00 0.00 C ATOM 1013 SD MET A 67 3.968 -3.592 -1.568 1.00 0.00 S ATOM 1014 CE MET A 67 5.069 -4.259 -0.322 1.00 0.00 C ATOM 0 H MET A 67 5.404 -2.519 -6.173 1.00 0.00 H new ATOM 0 HA MET A 67 6.807 -4.295 -4.570 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.938 -3.461 -4.692 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.287 -4.970 -3.872 1.00 0.00 H new ATOM 0 HG2 MET A 67 6.153 -3.519 -2.619 1.00 0.00 H new ATOM 0 HG3 MET A 67 5.161 -2.166 -3.126 1.00 0.00 H new ATOM 0 HE1 MET A 67 4.519 -4.409 0.607 1.00 0.00 H new ATOM 0 HE2 MET A 67 5.470 -5.213 -0.664 1.00 0.00 H new ATOM 0 HE3 MET A 67 5.889 -3.561 -0.150 1.00 0.00 H new ATOM 1024 N ASN A 68 6.042 -6.711 -5.184 1.00 0.00 N ATOM 1025 CA ASN A 68 5.796 -8.022 -5.728 1.00 0.00 C ATOM 1026 C ASN A 68 6.123 -8.928 -4.594 1.00 0.00 C ATOM 1027 O ASN A 68 7.209 -8.852 -4.037 1.00 0.00 O ATOM 1028 CB ASN A 68 6.669 -8.401 -6.967 1.00 0.00 C ATOM 1029 CG ASN A 68 5.982 -9.344 -7.984 1.00 0.00 C ATOM 1030 OD1 ASN A 68 6.242 -9.239 -9.188 1.00 0.00 O ATOM 1031 ND2 ASN A 68 5.122 -10.278 -7.480 1.00 0.00 N ATOM 0 H ASN A 68 6.552 -6.704 -4.301 1.00 0.00 H new ATOM 0 HA ASN A 68 4.774 -8.085 -6.101 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.960 -7.485 -7.482 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.586 -8.875 -6.616 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.657 -10.934 -8.107 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.945 -10.319 -6.476 1.00 0.00 H new ATOM 1038 N LEU A 69 5.190 -9.847 -4.258 1.00 0.00 N ATOM 1039 CA LEU A 69 5.250 -10.792 -3.155 1.00 0.00 C ATOM 1040 C LEU A 69 5.894 -12.084 -3.638 1.00 0.00 C ATOM 1041 O LEU A 69 5.732 -13.170 -3.086 1.00 0.00 O ATOM 1042 CB LEU A 69 3.832 -10.884 -2.510 1.00 0.00 C ATOM 1043 CG LEU A 69 3.400 -12.107 -1.662 1.00 0.00 C ATOM 1044 CD1 LEU A 69 4.226 -12.260 -0.377 1.00 0.00 C ATOM 1045 CD2 LEU A 69 1.894 -12.044 -1.339 1.00 0.00 C ATOM 0 H LEU A 69 4.327 -9.942 -4.793 1.00 0.00 H new ATOM 0 HA LEU A 69 5.899 -10.475 -2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.715 -10.004 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.110 -10.791 -3.321 1.00 0.00 H new ATOM 0 HG LEU A 69 3.594 -12.992 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.879 -13.133 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.278 -12.387 -0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.108 -11.369 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.613 -12.912 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.680 -11.134 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.323 -12.041 -2.267 1.00 0.00 H new ATOM 1057 N GLU A 70 6.708 -11.930 -4.700 1.00 0.00 N ATOM 1058 CA GLU A 70 7.533 -12.903 -5.348 1.00 0.00 C ATOM 1059 C GLU A 70 8.621 -12.046 -5.929 1.00 0.00 C ATOM 1060 O GLU A 70 8.861 -12.001 -7.136 1.00 0.00 O ATOM 1061 CB GLU A 70 6.851 -13.752 -6.441 1.00 0.00 C ATOM 1062 CG GLU A 70 5.678 -14.609 -5.919 1.00 0.00 C ATOM 1063 CD GLU A 70 5.185 -15.581 -6.993 1.00 0.00 C ATOM 1064 OE1 GLU A 70 4.715 -15.103 -8.061 1.00 0.00 O ATOM 1065 OE2 GLU A 70 5.268 -16.816 -6.756 1.00 0.00 O ATOM 0 H GLU A 70 6.795 -11.020 -5.152 1.00 0.00 H new ATOM 0 HA GLU A 70 7.855 -13.670 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.485 -13.091 -7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.594 -14.407 -6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.995 -15.166 -5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.859 -13.960 -5.608 1.00 0.00 H new ATOM 1072 N ALA A 71 9.294 -11.329 -5.007 1.00 0.00 N ATOM 1073 CA ALA A 71 10.370 -10.403 -5.245 1.00 0.00 C ATOM 1074 C ALA A 71 11.500 -10.933 -4.402 1.00 0.00 C ATOM 1075 O ALA A 71 12.105 -11.950 -4.741 1.00 0.00 O ATOM 1076 CB ALA A 71 9.980 -8.960 -4.866 1.00 0.00 C ATOM 0 H ALA A 71 9.069 -11.402 -4.015 1.00 0.00 H new ATOM 0 HA ALA A 71 10.642 -10.338 -6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.820 -8.293 -5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.122 -8.647 -5.461 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.722 -8.919 -3.808 1.00 0.00 H new ATOM 1082 N ARG A 72 11.789 -10.250 -3.271 1.00 0.00 N ATOM 1083 CA ARG A 72 12.799 -10.594 -2.295 1.00 0.00 C ATOM 1084 C ARG A 72 12.009 -10.958 -1.023 1.00 0.00 C ATOM 1085 O ARG A 72 11.283 -10.076 -0.490 1.00 0.00 O ATOM 1086 CB ARG A 72 13.784 -9.434 -1.990 1.00 0.00 C ATOM 1087 CG ARG A 72 14.992 -9.313 -2.949 1.00 0.00 C ATOM 1088 CD ARG A 72 14.697 -9.168 -4.455 1.00 0.00 C ATOM 1089 NE ARG A 72 13.827 -7.960 -4.707 1.00 0.00 N ATOM 1090 CZ ARG A 72 13.261 -7.713 -5.931 1.00 0.00 C ATOM 1091 NH1 ARG A 72 13.119 -8.689 -6.876 1.00 0.00 N ATOM 1092 NH2 ARG A 72 12.786 -6.459 -6.199 1.00 0.00 N ATOM 1093 OXT ARG A 72 12.121 -12.131 -0.578 1.00 0.00 O ATOM 0 H ARG A 72 11.285 -9.400 -3.019 1.00 0.00 H new ATOM 0 HA ARG A 72 13.423 -11.405 -2.671 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.230 -8.496 -2.012 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.160 -9.558 -0.975 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.583 -8.451 -2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.618 -10.195 -2.813 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.632 -9.073 -5.008 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.200 -10.065 -4.823 1.00 0.00 H new ATOM 0 HE ARG A 72 13.655 -7.307 -3.942 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.439 -9.638 -6.681 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.693 -8.469 -7.776 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.856 -5.726 -5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.362 -6.257 -7.104 1.00 0.00 H new