USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 686 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 75 ASN : amide:sc= -3.42! K(o=-4.1!,f=-1.2) USER MOD Set 1.2: A 94 SER OG : rot -90:sc= -0.721 USER MOD Single : A 23 HIS : no HE2:sc= -1.67 K(o=-1.7,f=-3.2) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 141:sc= -0.904 (180deg=-2.62!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -111:sc= 0.0526 (180deg=-1.35) USER MOD Single : A 50 TYR OH : rot 35:sc= 0.983 USER MOD Single : A 52 LYS NZ :NH3+ 152:sc= -0.386 (180deg=-0.563) USER MOD Single : A 53 ASN : amide:sc= -1.76 K(o=-1.8,f=-0.54) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 76 HIS : no HD1:sc=-0.00322 X(o=-0.0032,f=-0.079) USER MOD Single : A 79 THR OG1 : rot 142:sc= -0.722 USER MOD Single : A 84 CYS SG : rot -139:sc= -1.06 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -159:sc= -0.613 USER MOD Single : A 105 ASN : amide:sc= -0.677 K(o=-0.68,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 20 -3.731 -14.036 -9.151 1.00 0.00 N ATOM 57 CA VAL A 20 -3.748 -12.720 -8.518 1.00 0.00 C ATOM 58 C VAL A 20 -3.450 -11.601 -9.510 1.00 0.00 C ATOM 59 O VAL A 20 -2.467 -11.658 -10.249 1.00 0.00 O ATOM 60 CB VAL A 20 -2.719 -12.634 -7.377 1.00 0.00 C ATOM 61 CG1 VAL A 20 -3.097 -13.569 -6.241 1.00 0.00 C ATOM 62 CG2 VAL A 20 -1.322 -12.945 -7.895 1.00 0.00 C ATOM 0 HA VAL A 20 -4.756 -12.592 -8.124 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.719 -11.616 -6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.356 -13.492 -5.445 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.077 -13.292 -5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.129 -14.594 -6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.607 -12.880 -7.075 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.304 -13.952 -8.312 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.053 -12.227 -8.669 1.00 0.00 H new ATOM 72 N GLU A 21 -4.285 -10.571 -9.493 1.00 0.00 N ATOM 73 CA GLU A 21 -4.092 -9.423 -10.364 1.00 0.00 C ATOM 74 C GLU A 21 -3.380 -8.332 -9.582 1.00 0.00 C ATOM 75 O GLU A 21 -3.859 -7.902 -8.532 1.00 0.00 O ATOM 76 CB GLU A 21 -5.436 -8.914 -10.892 1.00 0.00 C ATOM 77 CG GLU A 21 -5.484 -8.784 -12.404 1.00 0.00 C ATOM 78 CD GLU A 21 -6.902 -8.706 -12.935 1.00 0.00 C ATOM 79 OE1 GLU A 21 -7.596 -7.713 -12.631 1.00 0.00 O ATOM 80 OE2 GLU A 21 -7.319 -9.638 -13.655 1.00 0.00 O ATOM 0 H GLU A 21 -5.102 -10.508 -8.885 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.487 -9.714 -11.223 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.225 -9.593 -10.569 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.648 -7.943 -10.445 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.937 -7.891 -12.706 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.977 -9.637 -12.855 1.00 0.00 H new ATOM 87 N LEU A 22 -2.223 -7.905 -10.070 1.00 0.00 N ATOM 88 CA LEU A 22 -1.457 -6.887 -9.370 1.00 0.00 C ATOM 89 C LEU A 22 -1.638 -5.505 -9.980 1.00 0.00 C ATOM 90 O LEU A 22 -1.927 -5.364 -11.168 1.00 0.00 O ATOM 91 CB LEU A 22 0.024 -7.257 -9.334 1.00 0.00 C ATOM 92 CG LEU A 22 0.683 -7.389 -10.696 1.00 0.00 C ATOM 93 CD1 LEU A 22 1.137 -6.027 -11.202 1.00 0.00 C ATOM 94 CD2 LEU A 22 1.853 -8.357 -10.623 1.00 0.00 C ATOM 0 H LEU A 22 -1.800 -8.243 -10.935 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.841 -6.846 -8.351 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.559 -6.501 -8.760 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.135 -8.201 -8.800 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.047 -7.786 -11.401 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.607 -6.140 -12.179 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.275 -5.365 -11.288 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.854 -5.599 -10.502 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.316 -8.442 -11.606 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.587 -7.987 -9.907 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.496 -9.336 -10.304 1.00 0.00 H new ATOM 106 N HIS A 23 -1.464 -4.489 -9.143 1.00 0.00 N ATOM 107 CA HIS A 23 -1.600 -3.102 -9.567 1.00 0.00 C ATOM 108 C HIS A 23 -0.658 -2.209 -8.765 1.00 0.00 C ATOM 109 O HIS A 23 -0.353 -2.497 -7.604 1.00 0.00 O ATOM 110 CB HIS A 23 -3.047 -2.622 -9.392 1.00 0.00 C ATOM 111 CG HIS A 23 -4.060 -3.727 -9.374 1.00 0.00 C ATOM 112 ND1 HIS A 23 -4.543 -4.322 -10.521 1.00 0.00 N ATOM 113 CD2 HIS A 23 -4.681 -4.345 -8.341 1.00 0.00 C ATOM 114 CE1 HIS A 23 -5.417 -5.259 -10.194 1.00 0.00 C ATOM 115 NE2 HIS A 23 -5.517 -5.292 -8.878 1.00 0.00 N ATOM 0 H HIS A 23 -1.226 -4.603 -8.158 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.337 -3.041 -10.623 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.122 -2.060 -8.461 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.291 -1.933 -10.201 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -4.269 -4.077 -11.473 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.544 -4.132 -7.291 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.957 -5.889 -10.885 1.00 0.00 H new ATOM 124 N LYS A 24 -0.203 -1.129 -9.388 1.00 0.00 N ATOM 125 CA LYS A 24 0.700 -0.194 -8.731 1.00 0.00 C ATOM 126 C LYS A 24 -0.080 0.759 -7.832 1.00 0.00 C ATOM 127 O LYS A 24 -0.723 1.694 -8.310 1.00 0.00 O ATOM 128 CB LYS A 24 1.497 0.598 -9.768 1.00 0.00 C ATOM 129 CG LYS A 24 0.624 1.390 -10.728 1.00 0.00 C ATOM 130 CD LYS A 24 1.128 1.287 -12.158 1.00 0.00 C ATOM 131 CE LYS A 24 1.062 -0.142 -12.672 1.00 0.00 C ATOM 132 NZ LYS A 24 2.274 -0.509 -13.456 1.00 0.00 N ATOM 0 H LYS A 24 -0.445 -0.879 -10.347 1.00 0.00 H new ATOM 0 HA LYS A 24 1.396 -0.765 -8.116 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.170 1.283 -9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.120 -0.090 -10.339 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.401 1.023 -10.676 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.604 2.436 -10.423 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.532 1.934 -12.802 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.156 1.646 -12.209 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.954 -0.826 -11.830 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.176 -0.262 -13.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.189 -1.491 -13.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.364 0.127 -14.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.117 -0.419 -12.854 1.00 0.00 H new ATOM 146 N VAL A 25 -0.023 0.514 -6.529 1.00 0.00 N ATOM 147 CA VAL A 25 -0.730 1.346 -5.561 1.00 0.00 C ATOM 148 C VAL A 25 0.213 2.342 -4.898 1.00 0.00 C ATOM 149 O VAL A 25 1.341 2.004 -4.545 1.00 0.00 O ATOM 150 CB VAL A 25 -1.424 0.506 -4.459 1.00 0.00 C ATOM 151 CG1 VAL A 25 -2.928 0.726 -4.489 1.00 0.00 C ATOM 152 CG2 VAL A 25 -1.097 -0.976 -4.598 1.00 0.00 C ATOM 0 H VAL A 25 0.506 -0.255 -6.117 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.495 1.881 -6.124 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.041 0.841 -3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.399 0.128 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.145 1.781 -4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.320 0.427 -5.461 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.600 -1.535 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.437 -1.334 -5.570 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.020 -1.120 -4.515 1.00 0.00 H new ATOM 162 N THR A 26 -0.263 3.569 -4.723 1.00 0.00 N ATOM 163 CA THR A 26 0.533 4.614 -4.092 1.00 0.00 C ATOM 164 C THR A 26 -0.268 5.298 -2.988 1.00 0.00 C ATOM 165 O THR A 26 -1.233 6.014 -3.262 1.00 0.00 O ATOM 166 CB THR A 26 0.977 5.643 -5.132 1.00 0.00 C ATOM 167 OG1 THR A 26 1.719 5.022 -6.166 1.00 0.00 O ATOM 168 CG2 THR A 26 1.833 6.749 -4.553 1.00 0.00 C ATOM 0 H THR A 26 -1.196 3.864 -5.009 1.00 0.00 H new ATOM 0 HA THR A 26 1.418 4.156 -3.650 1.00 0.00 H new ATOM 0 HB THR A 26 0.056 6.082 -5.515 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.993 5.696 -6.822 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.113 7.444 -5.344 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.270 7.280 -3.785 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.733 6.320 -4.112 1.00 0.00 H new ATOM 176 N LEU A 27 0.126 5.069 -1.738 1.00 0.00 N ATOM 177 CA LEU A 27 -0.570 5.658 -0.599 1.00 0.00 C ATOM 178 C LEU A 27 0.244 6.782 0.033 1.00 0.00 C ATOM 179 O LEU A 27 1.386 7.034 -0.354 1.00 0.00 O ATOM 180 CB LEU A 27 -0.866 4.585 0.451 1.00 0.00 C ATOM 181 CG LEU A 27 -1.622 3.361 -0.069 1.00 0.00 C ATOM 182 CD1 LEU A 27 -1.921 2.396 1.068 1.00 0.00 C ATOM 183 CD2 LEU A 27 -2.908 3.785 -0.764 1.00 0.00 C ATOM 0 H LEU A 27 0.922 4.481 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.506 6.079 -0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.077 4.253 0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.446 5.036 1.256 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.991 2.849 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.459 1.531 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.986 2.068 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.532 2.897 1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.433 2.902 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.543 4.320 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.670 4.437 -1.604 1.00 0.00 H new ATOM 195 N TYR A 28 -0.356 7.451 1.014 1.00 0.00 N ATOM 196 CA TYR A 28 0.302 8.548 1.714 1.00 0.00 C ATOM 197 C TYR A 28 0.251 8.329 3.223 1.00 0.00 C ATOM 198 O TYR A 28 -0.628 7.632 3.727 1.00 0.00 O ATOM 199 CB TYR A 28 -0.361 9.881 1.357 1.00 0.00 C ATOM 200 CG TYR A 28 -0.629 10.048 -0.122 1.00 0.00 C ATOM 201 CD1 TYR A 28 -1.759 9.494 -0.708 1.00 0.00 C ATOM 202 CD2 TYR A 28 0.247 10.762 -0.929 1.00 0.00 C ATOM 203 CE1 TYR A 28 -2.009 9.646 -2.059 1.00 0.00 C ATOM 204 CE2 TYR A 28 0.005 10.918 -2.280 1.00 0.00 C ATOM 205 CZ TYR A 28 -1.123 10.358 -2.841 1.00 0.00 C ATOM 206 OH TYR A 28 -1.368 10.511 -4.185 1.00 0.00 O ATOM 0 H TYR A 28 -1.301 7.251 1.342 1.00 0.00 H new ATOM 0 HA TYR A 28 1.346 8.577 1.400 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.302 9.966 1.900 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.277 10.697 1.696 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.454 8.935 -0.099 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.132 11.202 -0.493 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.893 9.210 -2.500 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.696 11.476 -2.894 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.649 11.039 -4.591 1.00 0.00 H new ATOM 216 N LYS A 29 1.202 8.920 3.940 1.00 0.00 N ATOM 217 CA LYS A 29 1.261 8.777 5.391 1.00 0.00 C ATOM 218 C LYS A 29 1.007 10.108 6.090 1.00 0.00 C ATOM 219 O LYS A 29 1.479 11.156 5.650 1.00 0.00 O ATOM 220 CB LYS A 29 2.620 8.221 5.819 1.00 0.00 C ATOM 221 CG LYS A 29 2.523 7.073 6.811 1.00 0.00 C ATOM 222 CD LYS A 29 2.261 7.574 8.222 1.00 0.00 C ATOM 223 CE LYS A 29 3.540 8.047 8.893 1.00 0.00 C ATOM 224 NZ LYS A 29 3.868 9.455 8.534 1.00 0.00 N ATOM 0 H LYS A 29 1.940 9.501 3.542 1.00 0.00 H new ATOM 0 HA LYS A 29 0.478 8.079 5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.159 7.881 4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.209 9.024 6.262 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.722 6.397 6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.449 6.498 6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.542 8.392 8.191 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.812 6.777 8.814 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.435 7.963 9.975 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.365 7.397 8.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.241 9.949 9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.584 9.463 7.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.009 9.938 8.201 1.00 0.00 H new ATOM 238 N ASP A 30 0.264 10.053 7.191 1.00 0.00 N ATOM 239 CA ASP A 30 -0.049 11.247 7.966 1.00 0.00 C ATOM 240 C ASP A 30 0.632 11.189 9.328 1.00 0.00 C ATOM 241 O ASP A 30 0.608 10.158 9.999 1.00 0.00 O ATOM 242 CB ASP A 30 -1.563 11.385 8.142 1.00 0.00 C ATOM 243 CG ASP A 30 -1.961 12.758 8.648 1.00 0.00 C ATOM 244 OD1 ASP A 30 -1.678 13.063 9.824 1.00 0.00 O ATOM 245 OD2 ASP A 30 -2.559 13.528 7.865 1.00 0.00 O ATOM 0 H ASP A 30 -0.133 9.192 7.567 1.00 0.00 H new ATOM 0 HA ASP A 30 0.323 12.117 7.425 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.056 11.195 7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.916 10.626 8.841 1.00 0.00 H new ATOM 250 N SER A 31 1.245 12.300 9.728 1.00 0.00 N ATOM 251 CA SER A 31 1.940 12.375 11.010 1.00 0.00 C ATOM 252 C SER A 31 1.002 12.030 12.163 1.00 0.00 C ATOM 253 O SER A 31 0.414 12.917 12.784 1.00 0.00 O ATOM 254 CB SER A 31 2.527 13.772 11.215 1.00 0.00 C ATOM 255 OG SER A 31 3.490 14.073 10.220 1.00 0.00 O ATOM 0 H SER A 31 1.275 13.161 9.182 1.00 0.00 H new ATOM 0 HA SER A 31 2.750 11.646 10.997 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.728 14.513 11.188 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.987 13.835 12.201 1.00 0.00 H new ATOM 0 HG SER A 31 3.848 14.972 10.373 1.00 0.00 H new ATOM 261 N GLY A 32 0.868 10.739 12.442 1.00 0.00 N ATOM 262 CA GLY A 32 0.001 10.298 13.517 1.00 0.00 C ATOM 263 C GLY A 32 -0.623 8.939 13.251 1.00 0.00 C ATOM 264 O GLY A 32 -1.102 8.280 14.174 1.00 0.00 O ATOM 0 H GLY A 32 1.345 9.989 11.942 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.573 10.255 14.444 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.790 11.033 13.664 1.00 0.00 H new ATOM 268 N MET A 33 -0.623 8.520 11.989 1.00 0.00 N ATOM 269 CA MET A 33 -1.195 7.232 11.614 1.00 0.00 C ATOM 270 C MET A 33 -0.214 6.098 11.886 1.00 0.00 C ATOM 271 O MET A 33 0.989 6.236 11.661 1.00 0.00 O ATOM 272 CB MET A 33 -1.592 7.236 10.136 1.00 0.00 C ATOM 273 CG MET A 33 -2.999 7.753 9.884 1.00 0.00 C ATOM 274 SD MET A 33 -3.863 6.823 8.604 1.00 0.00 S ATOM 275 CE MET A 33 -5.515 6.753 9.292 1.00 0.00 C ATOM 0 H MET A 33 -0.234 9.053 11.211 1.00 0.00 H new ATOM 0 HA MET A 33 -2.085 7.070 12.222 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.884 7.850 9.580 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.511 6.222 9.744 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.571 7.705 10.811 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.950 8.803 9.594 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.169 6.207 8.613 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.487 6.244 10.256 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.896 7.765 9.427 1.00 0.00 H new ATOM 285 N GLU A 34 -0.735 4.975 12.370 1.00 0.00 N ATOM 286 CA GLU A 34 0.094 3.813 12.672 1.00 0.00 C ATOM 287 C GLU A 34 0.409 3.014 11.409 1.00 0.00 C ATOM 288 O GLU A 34 1.249 2.115 11.428 1.00 0.00 O ATOM 289 CB GLU A 34 -0.603 2.917 13.698 1.00 0.00 C ATOM 290 CG GLU A 34 0.361 2.186 14.618 1.00 0.00 C ATOM 291 CD GLU A 34 -0.253 1.867 15.969 1.00 0.00 C ATOM 292 OE1 GLU A 34 -0.919 0.818 16.084 1.00 0.00 O ATOM 293 OE2 GLU A 34 -0.066 2.666 16.909 1.00 0.00 O ATOM 0 H GLU A 34 -1.728 4.845 12.562 1.00 0.00 H new ATOM 0 HA GLU A 34 1.034 4.172 13.090 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.278 3.525 14.301 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.217 2.185 13.172 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.682 1.260 14.141 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.253 2.796 14.763 1.00 0.00 H new ATOM 300 N ASP A 35 -0.268 3.346 10.315 1.00 0.00 N ATOM 301 CA ASP A 35 -0.058 2.658 9.048 1.00 0.00 C ATOM 302 C ASP A 35 -0.452 3.548 7.873 1.00 0.00 C ATOM 303 O ASP A 35 -0.657 4.751 8.037 1.00 0.00 O ATOM 304 CB ASP A 35 -0.862 1.353 9.014 1.00 0.00 C ATOM 305 CG ASP A 35 0.030 0.126 8.980 1.00 0.00 C ATOM 306 OD1 ASP A 35 0.697 -0.094 7.949 1.00 0.00 O ATOM 307 OD2 ASP A 35 0.059 -0.614 9.987 1.00 0.00 O ATOM 0 H ASP A 35 -0.967 4.088 10.281 1.00 0.00 H new ATOM 0 HA ASP A 35 1.003 2.424 8.959 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.509 1.305 9.890 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.511 1.352 8.138 1.00 0.00 H new ATOM 312 N PHE A 36 -0.549 2.953 6.688 1.00 0.00 N ATOM 313 CA PHE A 36 -0.913 3.697 5.489 1.00 0.00 C ATOM 314 C PHE A 36 -2.391 3.518 5.153 1.00 0.00 C ATOM 315 O PHE A 36 -2.788 3.604 3.991 1.00 0.00 O ATOM 316 CB PHE A 36 -0.050 3.255 4.307 1.00 0.00 C ATOM 317 CG PHE A 36 1.127 4.153 4.060 1.00 0.00 C ATOM 318 CD1 PHE A 36 2.318 3.960 4.741 1.00 0.00 C ATOM 319 CD2 PHE A 36 1.042 5.194 3.149 1.00 0.00 C ATOM 320 CE1 PHE A 36 3.402 4.787 4.518 1.00 0.00 C ATOM 321 CE2 PHE A 36 2.123 6.024 2.922 1.00 0.00 C ATOM 322 CZ PHE A 36 3.304 5.821 3.607 1.00 0.00 C ATOM 0 H PHE A 36 -0.381 1.959 6.533 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.735 4.754 5.686 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.307 2.241 4.487 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.667 3.221 3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.400 3.154 5.455 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.120 5.358 2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.325 4.625 5.055 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.044 6.831 2.209 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.150 6.469 3.431 1.00 0.00 H new ATOM 332 N GLY A 37 -3.202 3.275 6.177 1.00 0.00 N ATOM 333 CA GLY A 37 -4.627 3.097 5.968 1.00 0.00 C ATOM 334 C GLY A 37 -5.004 1.664 5.644 1.00 0.00 C ATOM 335 O GLY A 37 -6.064 1.413 5.070 1.00 0.00 O ATOM 0 H GLY A 37 -2.898 3.198 7.148 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.162 3.414 6.863 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.953 3.745 5.155 1.00 0.00 H new ATOM 339 N PHE A 38 -4.143 0.721 6.014 1.00 0.00 N ATOM 340 CA PHE A 38 -4.408 -0.691 5.758 1.00 0.00 C ATOM 341 C PHE A 38 -3.337 -1.570 6.401 1.00 0.00 C ATOM 342 O PHE A 38 -2.142 -1.358 6.197 1.00 0.00 O ATOM 343 CB PHE A 38 -4.502 -0.951 4.249 1.00 0.00 C ATOM 344 CG PHE A 38 -3.178 -1.012 3.536 1.00 0.00 C ATOM 345 CD1 PHE A 38 -2.207 -0.045 3.751 1.00 0.00 C ATOM 346 CD2 PHE A 38 -2.910 -2.038 2.643 1.00 0.00 C ATOM 347 CE1 PHE A 38 -0.994 -0.104 3.090 1.00 0.00 C ATOM 348 CE2 PHE A 38 -1.700 -2.101 1.980 1.00 0.00 C ATOM 349 CZ PHE A 38 -0.741 -1.135 2.203 1.00 0.00 C ATOM 0 H PHE A 38 -3.260 0.907 6.490 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.366 -0.951 6.209 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.029 -1.892 4.089 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.107 -0.166 3.796 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.400 0.762 4.442 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.657 -2.797 2.464 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.245 0.654 3.266 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.505 -2.906 1.287 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.206 -1.183 1.686 1.00 0.00 H new ATOM 359 N SER A 39 -3.773 -2.557 7.182 1.00 0.00 N ATOM 360 CA SER A 39 -2.852 -3.463 7.855 1.00 0.00 C ATOM 361 C SER A 39 -2.549 -4.672 6.982 1.00 0.00 C ATOM 362 O SER A 39 -3.381 -5.091 6.178 1.00 0.00 O ATOM 363 CB SER A 39 -3.438 -3.919 9.193 1.00 0.00 C ATOM 364 OG SER A 39 -3.474 -2.850 10.124 1.00 0.00 O ATOM 0 H SER A 39 -4.759 -2.747 7.363 1.00 0.00 H new ATOM 0 HA SER A 39 -1.921 -2.926 8.039 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.445 -4.306 9.040 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.840 -4.737 9.596 1.00 0.00 H new ATOM 0 HG SER A 39 -3.854 -3.166 10.970 1.00 0.00 H new ATOM 370 N VAL A 40 -1.349 -5.223 7.141 1.00 0.00 N ATOM 371 CA VAL A 40 -0.934 -6.380 6.360 1.00 0.00 C ATOM 372 C VAL A 40 -0.829 -7.634 7.222 1.00 0.00 C ATOM 373 O VAL A 40 -0.920 -7.569 8.448 1.00 0.00 O ATOM 374 CB VAL A 40 0.418 -6.130 5.666 1.00 0.00 C ATOM 375 CG1 VAL A 40 0.310 -4.971 4.688 1.00 0.00 C ATOM 376 CG2 VAL A 40 1.508 -5.868 6.695 1.00 0.00 C ATOM 0 H VAL A 40 -0.649 -4.886 7.803 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.703 -6.537 5.604 1.00 0.00 H new ATOM 0 HB VAL A 40 0.688 -7.025 5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.275 -4.809 4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.438 -5.203 3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.016 -4.069 5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.455 -5.694 6.185 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.247 -4.990 7.286 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.603 -6.732 7.352 1.00 0.00 H new ATOM 386 N ALA A 41 -0.638 -8.778 6.569 1.00 0.00 N ATOM 387 CA ALA A 41 -0.521 -10.053 7.267 1.00 0.00 C ATOM 388 C ALA A 41 0.382 -11.017 6.503 1.00 0.00 C ATOM 389 O ALA A 41 0.385 -11.033 5.272 1.00 0.00 O ATOM 390 CB ALA A 41 -1.895 -10.671 7.470 1.00 0.00 C ATOM 0 H ALA A 41 -0.561 -8.846 5.554 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.069 -9.864 8.241 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.793 -11.622 7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.513 -9.997 8.062 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.366 -10.838 6.501 1.00 0.00 H new ATOM 396 N ASP A 42 1.143 -11.820 7.240 1.00 0.00 N ATOM 397 CA ASP A 42 2.048 -12.788 6.630 1.00 0.00 C ATOM 398 C ASP A 42 1.271 -13.951 6.021 1.00 0.00 C ATOM 399 O ASP A 42 0.074 -14.105 6.263 1.00 0.00 O ATOM 400 CB ASP A 42 3.040 -13.314 7.670 1.00 0.00 C ATOM 401 CG ASP A 42 2.350 -14.018 8.821 1.00 0.00 C ATOM 402 OD1 ASP A 42 1.883 -15.160 8.625 1.00 0.00 O ATOM 403 OD2 ASP A 42 2.277 -13.428 9.920 1.00 0.00 O ATOM 0 H ASP A 42 1.151 -11.820 8.260 1.00 0.00 H new ATOM 0 HA ASP A 42 2.597 -12.284 5.834 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.735 -14.003 7.190 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.631 -12.484 8.057 1.00 0.00 H new ATOM 408 N GLY A 43 1.961 -14.768 5.231 1.00 0.00 N ATOM 409 CA GLY A 43 1.321 -15.906 4.600 1.00 0.00 C ATOM 410 C GLY A 43 1.702 -17.218 5.257 1.00 0.00 C ATOM 411 O GLY A 43 2.883 -17.556 5.344 1.00 0.00 O ATOM 0 H GLY A 43 2.953 -14.661 5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.239 -15.781 4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.597 -15.937 3.546 1.00 0.00 H new ATOM 415 N LEU A 44 0.702 -17.956 5.725 1.00 0.00 N ATOM 416 CA LEU A 44 0.944 -19.237 6.379 1.00 0.00 C ATOM 417 C LEU A 44 0.835 -20.391 5.393 1.00 0.00 C ATOM 418 O LEU A 44 1.403 -21.461 5.604 1.00 0.00 O ATOM 419 CB LEU A 44 -0.038 -19.438 7.535 1.00 0.00 C ATOM 420 CG LEU A 44 0.347 -18.738 8.841 1.00 0.00 C ATOM 421 CD1 LEU A 44 -0.729 -17.747 9.258 1.00 0.00 C ATOM 422 CD2 LEU A 44 0.589 -19.757 9.945 1.00 0.00 C ATOM 0 H LEU A 44 -0.281 -17.691 5.664 1.00 0.00 H new ATOM 0 HA LEU A 44 1.960 -19.224 6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.020 -19.080 7.224 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.135 -20.506 7.728 1.00 0.00 H new ATOM 0 HG LEU A 44 1.273 -18.188 8.671 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.435 -17.261 10.188 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.853 -16.995 8.479 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.671 -18.274 9.406 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.861 -19.239 10.865 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.319 -20.337 10.110 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.398 -20.426 9.652 1.00 0.00 H new ATOM 434 N LEU A 45 0.100 -20.164 4.313 1.00 0.00 N ATOM 435 CA LEU A 45 -0.088 -21.182 3.286 1.00 0.00 C ATOM 436 C LEU A 45 1.067 -21.177 2.298 1.00 0.00 C ATOM 437 O LEU A 45 1.528 -22.227 1.851 1.00 0.00 O ATOM 438 CB LEU A 45 -1.410 -20.959 2.549 1.00 0.00 C ATOM 439 CG LEU A 45 -2.656 -20.966 3.436 1.00 0.00 C ATOM 440 CD1 LEU A 45 -2.797 -19.640 4.166 1.00 0.00 C ATOM 441 CD2 LEU A 45 -3.898 -21.253 2.605 1.00 0.00 C ATOM 0 H LEU A 45 -0.377 -19.282 4.124 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.116 -22.155 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.360 -20.004 2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.520 -21.733 1.789 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.548 -21.757 4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.689 -19.663 4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.919 -19.473 4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.884 -18.832 3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.776 -21.254 3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.011 -20.483 1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.798 -22.227 2.126 1.00 0.00 H new ATOM 453 N GLU A 46 1.522 -19.984 1.961 1.00 0.00 N ATOM 454 CA GLU A 46 2.625 -19.817 1.022 1.00 0.00 C ATOM 455 C GLU A 46 3.328 -18.482 1.235 1.00 0.00 C ATOM 456 O GLU A 46 3.389 -17.654 0.327 1.00 0.00 O ATOM 457 CB GLU A 46 2.117 -19.917 -0.415 1.00 0.00 C ATOM 458 CG GLU A 46 0.804 -19.190 -0.651 1.00 0.00 C ATOM 459 CD GLU A 46 0.363 -19.236 -2.101 1.00 0.00 C ATOM 460 OE1 GLU A 46 1.223 -19.469 -2.976 1.00 0.00 O ATOM 461 OE2 GLU A 46 -0.843 -19.039 -2.361 1.00 0.00 O ATOM 0 H GLU A 46 1.144 -19.109 2.324 1.00 0.00 H new ATOM 0 HA GLU A 46 3.345 -20.615 1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.873 -19.511 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.992 -20.968 -0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.030 -19.634 -0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.908 -18.151 -0.340 1.00 0.00 H new ATOM 468 N LYS A 47 3.861 -18.294 2.443 1.00 0.00 N ATOM 469 CA LYS A 47 4.577 -17.070 2.828 1.00 0.00 C ATOM 470 C LYS A 47 4.018 -15.820 2.142 1.00 0.00 C ATOM 471 O LYS A 47 2.928 -15.839 1.572 1.00 0.00 O ATOM 472 CB LYS A 47 6.073 -17.218 2.519 1.00 0.00 C ATOM 473 CG LYS A 47 6.395 -17.306 1.035 1.00 0.00 C ATOM 474 CD LYS A 47 6.958 -15.996 0.502 1.00 0.00 C ATOM 475 CE LYS A 47 6.240 -15.556 -0.764 1.00 0.00 C ATOM 476 NZ LYS A 47 6.756 -16.260 -1.969 1.00 0.00 N ATOM 0 H LYS A 47 3.810 -18.989 3.188 1.00 0.00 H new ATOM 0 HA LYS A 47 4.433 -16.937 3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.607 -16.369 2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.449 -18.113 3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.115 -18.107 0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.493 -17.566 0.482 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.864 -15.222 1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.022 -16.113 0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.172 -15.748 -0.661 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.359 -14.480 -0.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.268 -15.585 -2.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.401 -17.022 -1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.960 -16.665 -2.502 1.00 0.00 H new ATOM 490 N GLY A 48 4.768 -14.726 2.221 1.00 0.00 N ATOM 491 CA GLY A 48 4.332 -13.483 1.617 1.00 0.00 C ATOM 492 C GLY A 48 3.551 -12.611 2.581 1.00 0.00 C ATOM 493 O GLY A 48 3.286 -13.012 3.713 1.00 0.00 O ATOM 0 H GLY A 48 5.671 -14.679 2.693 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.202 -12.933 1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.712 -13.703 0.748 1.00 0.00 H new ATOM 497 N VAL A 49 3.185 -11.417 2.131 1.00 0.00 N ATOM 498 CA VAL A 49 2.429 -10.488 2.961 1.00 0.00 C ATOM 499 C VAL A 49 1.261 -9.884 2.190 1.00 0.00 C ATOM 500 O VAL A 49 1.422 -9.419 1.061 1.00 0.00 O ATOM 501 CB VAL A 49 3.329 -9.351 3.492 1.00 0.00 C ATOM 502 CG1 VAL A 49 2.534 -8.400 4.373 1.00 0.00 C ATOM 503 CG2 VAL A 49 4.516 -9.922 4.251 1.00 0.00 C ATOM 0 H VAL A 49 3.399 -11.070 1.196 1.00 0.00 H new ATOM 0 HA VAL A 49 2.042 -11.059 3.805 1.00 0.00 H new ATOM 0 HB VAL A 49 3.706 -8.786 2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.188 -7.607 4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.720 -7.963 3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.123 -8.948 5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.139 -9.107 4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.159 -10.513 5.094 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.102 -10.556 3.586 1.00 0.00 H new ATOM 513 N TYR A 50 0.085 -9.891 2.810 1.00 0.00 N ATOM 514 CA TYR A 50 -1.113 -9.341 2.186 1.00 0.00 C ATOM 515 C TYR A 50 -1.761 -8.310 3.100 1.00 0.00 C ATOM 516 O TYR A 50 -1.221 -7.983 4.154 1.00 0.00 O ATOM 517 CB TYR A 50 -2.122 -10.449 1.858 1.00 0.00 C ATOM 518 CG TYR A 50 -1.516 -11.832 1.777 1.00 0.00 C ATOM 519 CD1 TYR A 50 -0.385 -12.071 1.008 1.00 0.00 C ATOM 520 CD2 TYR A 50 -2.078 -12.897 2.467 1.00 0.00 C ATOM 521 CE1 TYR A 50 0.170 -13.334 0.931 1.00 0.00 C ATOM 522 CE2 TYR A 50 -1.529 -14.162 2.397 1.00 0.00 C ATOM 523 CZ TYR A 50 -0.405 -14.376 1.626 1.00 0.00 C ATOM 524 OH TYR A 50 0.145 -15.635 1.552 1.00 0.00 O ATOM 0 H TYR A 50 -0.064 -10.272 3.745 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.814 -8.859 1.256 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.903 -10.450 2.618 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.602 -10.218 0.907 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.068 -11.257 0.462 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.960 -12.734 3.069 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.050 -13.504 0.329 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.977 -14.979 2.943 1.00 0.00 H new ATOM 0 HH TYR A 50 1.120 -15.563 1.488 1.00 0.00 H new ATOM 534 N VAL A 51 -2.919 -7.806 2.690 1.00 0.00 N ATOM 535 CA VAL A 51 -3.638 -6.813 3.476 1.00 0.00 C ATOM 536 C VAL A 51 -4.702 -7.473 4.349 1.00 0.00 C ATOM 537 O VAL A 51 -5.590 -8.165 3.848 1.00 0.00 O ATOM 538 CB VAL A 51 -4.302 -5.757 2.571 1.00 0.00 C ATOM 539 CG1 VAL A 51 -5.008 -4.700 3.405 1.00 0.00 C ATOM 540 CG2 VAL A 51 -3.266 -5.119 1.660 1.00 0.00 C ATOM 0 H VAL A 51 -3.379 -8.069 1.818 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.907 -6.318 4.116 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.050 -6.253 1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.470 -3.965 2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.777 -5.173 4.016 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.284 -4.204 4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.748 -4.375 1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.497 -4.637 2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.809 -5.886 1.035 1.00 0.00 H new ATOM 550 N LYS A 52 -4.599 -7.258 5.656 1.00 0.00 N ATOM 551 CA LYS A 52 -5.545 -7.835 6.602 1.00 0.00 C ATOM 552 C LYS A 52 -6.738 -6.917 6.826 1.00 0.00 C ATOM 553 O LYS A 52 -7.841 -7.376 7.120 1.00 0.00 O ATOM 554 CB LYS A 52 -4.853 -8.119 7.935 1.00 0.00 C ATOM 555 CG LYS A 52 -4.260 -6.882 8.591 1.00 0.00 C ATOM 556 CD LYS A 52 -4.690 -6.756 10.047 1.00 0.00 C ATOM 557 CE LYS A 52 -4.330 -7.997 10.848 1.00 0.00 C ATOM 558 NZ LYS A 52 -2.944 -8.462 10.562 1.00 0.00 N ATOM 0 H LYS A 52 -3.869 -6.688 6.084 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.911 -8.770 6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.571 -8.573 8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.060 -8.850 7.774 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.172 -6.926 8.535 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.571 -5.994 8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.213 -5.883 10.493 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.766 -6.591 10.096 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.428 -7.783 11.912 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.035 -8.795 10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.565 -8.957 11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.956 -9.110 9.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.341 -7.643 10.343 1.00 0.00 H new ATOM 572 N ASN A 53 -6.506 -5.622 6.695 1.00 0.00 N ATOM 573 CA ASN A 53 -7.567 -4.638 6.894 1.00 0.00 C ATOM 574 C ASN A 53 -7.256 -3.327 6.181 1.00 0.00 C ATOM 575 O ASN A 53 -6.095 -2.992 5.949 1.00 0.00 O ATOM 576 CB ASN A 53 -7.772 -4.379 8.388 1.00 0.00 C ATOM 577 CG ASN A 53 -8.884 -5.224 8.977 1.00 0.00 C ATOM 578 OD1 ASN A 53 -10.036 -4.795 9.043 1.00 0.00 O ATOM 579 ND2 ASN A 53 -8.546 -6.432 9.409 1.00 0.00 N ATOM 0 H ASN A 53 -5.598 -5.225 6.453 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.482 -5.047 6.466 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.843 -4.585 8.920 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.001 -3.325 8.543 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.253 -7.045 9.815 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.579 -6.748 9.335 1.00 0.00 H new ATOM 586 N ILE A 54 -8.309 -2.589 5.838 1.00 0.00 N ATOM 587 CA ILE A 54 -8.169 -1.311 5.154 1.00 0.00 C ATOM 588 C ILE A 54 -9.138 -0.280 5.729 1.00 0.00 C ATOM 589 O ILE A 54 -10.292 -0.594 6.021 1.00 0.00 O ATOM 590 CB ILE A 54 -8.426 -1.464 3.641 1.00 0.00 C ATOM 591 CG1 ILE A 54 -7.393 -2.424 3.028 1.00 0.00 C ATOM 592 CG2 ILE A 54 -8.410 -0.104 2.950 1.00 0.00 C ATOM 593 CD1 ILE A 54 -6.505 -1.802 1.966 1.00 0.00 C ATOM 0 H ILE A 54 -9.275 -2.859 6.025 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.146 -0.967 5.308 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.417 -1.892 3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.763 -2.816 3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.919 -3.273 2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.593 -0.236 1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.187 0.530 3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.438 0.367 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.808 -2.551 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.122 -1.436 1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.947 -0.972 2.399 1.00 0.00 H new ATOM 605 N ARG A 55 -8.661 0.950 5.889 1.00 0.00 N ATOM 606 CA ARG A 55 -9.487 2.024 6.426 1.00 0.00 C ATOM 607 C ARG A 55 -10.628 2.365 5.468 1.00 0.00 C ATOM 608 O ARG A 55 -10.412 2.511 4.265 1.00 0.00 O ATOM 609 CB ARG A 55 -8.635 3.268 6.684 1.00 0.00 C ATOM 610 CG ARG A 55 -9.098 4.088 7.878 1.00 0.00 C ATOM 611 CD ARG A 55 -10.050 5.195 7.457 1.00 0.00 C ATOM 612 NE ARG A 55 -9.877 6.401 8.264 1.00 0.00 N ATOM 613 CZ ARG A 55 -10.179 6.475 9.560 1.00 0.00 C ATOM 614 NH1 ARG A 55 -10.667 5.418 10.197 1.00 0.00 N ATOM 615 NH2 ARG A 55 -9.989 7.609 10.220 1.00 0.00 N ATOM 0 H ARG A 55 -7.708 1.227 5.655 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.917 1.683 7.368 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.601 2.963 6.843 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -8.648 3.898 5.794 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.592 3.436 8.599 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.233 4.522 8.380 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.885 5.435 6.407 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.078 4.843 7.546 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.504 7.234 7.809 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.813 4.542 9.695 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.896 5.481 11.189 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.612 8.424 9.736 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.220 7.667 11.212 1.00 0.00 H new ATOM 629 N PRO A 56 -11.863 2.497 5.987 1.00 0.00 N ATOM 630 CA PRO A 56 -13.033 2.820 5.164 1.00 0.00 C ATOM 631 C PRO A 56 -13.030 4.273 4.698 1.00 0.00 C ATOM 632 O PRO A 56 -13.427 5.171 5.440 1.00 0.00 O ATOM 633 CB PRO A 56 -14.208 2.563 6.106 1.00 0.00 C ATOM 634 CG PRO A 56 -13.652 2.788 7.469 1.00 0.00 C ATOM 635 CD PRO A 56 -12.217 2.339 7.412 1.00 0.00 C ATOM 0 HA PRO A 56 -13.065 2.229 4.249 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.037 3.240 5.899 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.590 1.548 5.996 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.721 3.839 7.750 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.209 2.222 8.216 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.580 2.948 8.054 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.106 1.306 7.741 1.00 0.00 H new ATOM 643 N ALA A 57 -12.575 4.493 3.464 1.00 0.00 N ATOM 644 CA ALA A 57 -12.512 5.834 2.883 1.00 0.00 C ATOM 645 C ALA A 57 -11.247 6.563 3.322 1.00 0.00 C ATOM 646 O ALA A 57 -11.226 7.791 3.410 1.00 0.00 O ATOM 647 CB ALA A 57 -13.749 6.646 3.245 1.00 0.00 C ATOM 0 H ALA A 57 -12.243 3.754 2.844 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.482 5.723 1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.676 7.638 2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.638 6.143 2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.819 6.738 4.329 1.00 0.00 H new ATOM 653 N GLY A 58 -10.194 5.800 3.597 1.00 0.00 N ATOM 654 CA GLY A 58 -8.940 6.392 4.025 1.00 0.00 C ATOM 655 C GLY A 58 -7.880 6.352 2.939 1.00 0.00 C ATOM 656 O GLY A 58 -8.201 6.192 1.762 1.00 0.00 O ATOM 0 H GLY A 58 -10.187 4.782 3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.113 7.426 4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.574 5.864 4.906 1.00 0.00 H new ATOM 660 N PRO A 59 -6.596 6.495 3.308 1.00 0.00 N ATOM 661 CA PRO A 59 -5.490 6.471 2.345 1.00 0.00 C ATOM 662 C PRO A 59 -5.526 5.235 1.453 1.00 0.00 C ATOM 663 O PRO A 59 -5.506 5.339 0.227 1.00 0.00 O ATOM 664 CB PRO A 59 -4.243 6.454 3.232 1.00 0.00 C ATOM 665 CG PRO A 59 -4.680 7.080 4.510 1.00 0.00 C ATOM 666 CD PRO A 59 -6.120 6.690 4.691 1.00 0.00 C ATOM 0 HA PRO A 59 -5.529 7.318 1.660 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.884 5.437 3.391 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.425 7.013 2.777 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.073 6.729 5.344 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.571 8.164 4.471 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.219 5.780 5.282 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.686 7.467 5.205 1.00 0.00 H new ATOM 674 N GLY A 60 -5.581 4.062 2.079 1.00 0.00 N ATOM 675 CA GLY A 60 -5.618 2.820 1.329 1.00 0.00 C ATOM 676 C GLY A 60 -6.783 2.764 0.360 1.00 0.00 C ATOM 677 O GLY A 60 -6.643 2.274 -0.762 1.00 0.00 O ATOM 0 H GLY A 60 -5.601 3.951 3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.685 2.704 0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.685 1.982 2.023 1.00 0.00 H new ATOM 681 N ASP A 61 -7.933 3.275 0.787 1.00 0.00 N ATOM 682 CA ASP A 61 -9.120 3.290 -0.053 1.00 0.00 C ATOM 683 C ASP A 61 -8.979 4.341 -1.143 1.00 0.00 C ATOM 684 O ASP A 61 -9.477 4.173 -2.256 1.00 0.00 O ATOM 685 CB ASP A 61 -10.368 3.568 0.790 1.00 0.00 C ATOM 686 CG ASP A 61 -11.300 2.374 0.854 1.00 0.00 C ATOM 687 OD1 ASP A 61 -10.814 1.255 1.128 1.00 0.00 O ATOM 688 OD2 ASP A 61 -12.515 2.556 0.632 1.00 0.00 O ATOM 0 H ASP A 61 -8.066 3.684 1.712 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.227 2.311 -0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.066 3.845 1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.903 4.421 0.372 1.00 0.00 H new ATOM 693 N LEU A 62 -8.288 5.427 -0.812 1.00 0.00 N ATOM 694 CA LEU A 62 -8.071 6.507 -1.760 1.00 0.00 C ATOM 695 C LEU A 62 -7.045 6.102 -2.812 1.00 0.00 C ATOM 696 O LEU A 62 -7.112 6.540 -3.961 1.00 0.00 O ATOM 697 CB LEU A 62 -7.605 7.769 -1.031 1.00 0.00 C ATOM 698 CG LEU A 62 -8.688 8.490 -0.226 1.00 0.00 C ATOM 699 CD1 LEU A 62 -8.062 9.444 0.778 1.00 0.00 C ATOM 700 CD2 LEU A 62 -9.633 9.235 -1.156 1.00 0.00 C ATOM 0 H LEU A 62 -7.870 5.580 0.106 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.016 6.717 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.791 7.501 -0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.196 8.464 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.263 7.745 0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.848 9.947 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.426 8.884 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.462 10.185 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.397 9.742 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.072 9.970 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.108 8.527 -1.835 1.00 0.00 H new ATOM 712 N GLY A 63 -6.099 5.259 -2.412 1.00 0.00 N ATOM 713 CA GLY A 63 -5.075 4.802 -3.332 1.00 0.00 C ATOM 714 C GLY A 63 -5.618 3.834 -4.363 1.00 0.00 C ATOM 715 O GLY A 63 -5.481 4.056 -5.566 1.00 0.00 O ATOM 0 H GLY A 63 -6.023 4.884 -1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.636 5.661 -3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.274 4.320 -2.771 1.00 0.00 H new ATOM 719 N GLY A 64 -6.240 2.757 -3.892 1.00 0.00 N ATOM 720 CA GLY A 64 -6.800 1.773 -4.799 1.00 0.00 C ATOM 721 C GLY A 64 -6.575 0.344 -4.338 1.00 0.00 C ATOM 722 O GLY A 64 -7.170 -0.586 -4.883 1.00 0.00 O ATOM 0 H GLY A 64 -6.366 2.549 -2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.870 1.951 -4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.358 1.904 -5.786 1.00 0.00 H new ATOM 726 N LEU A 65 -5.718 0.162 -3.336 1.00 0.00 N ATOM 727 CA LEU A 65 -5.430 -1.172 -2.822 1.00 0.00 C ATOM 728 C LEU A 65 -6.522 -1.637 -1.865 1.00 0.00 C ATOM 729 O LEU A 65 -6.969 -0.884 -1.000 1.00 0.00 O ATOM 730 CB LEU A 65 -4.070 -1.202 -2.118 1.00 0.00 C ATOM 731 CG LEU A 65 -3.848 -0.116 -1.063 1.00 0.00 C ATOM 732 CD1 LEU A 65 -4.335 -0.589 0.300 1.00 0.00 C ATOM 733 CD2 LEU A 65 -2.376 0.272 -1.002 1.00 0.00 C ATOM 0 H LEU A 65 -5.215 0.916 -2.868 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.400 -1.854 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.948 -2.175 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.288 -1.116 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.425 0.765 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.169 0.196 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.399 -0.818 0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.785 -1.484 0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.235 1.045 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.780 -0.603 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.059 0.651 -1.974 1.00 0.00 H new ATOM 745 N LYS A 66 -6.944 -2.887 -2.029 1.00 0.00 N ATOM 746 CA LYS A 66 -7.984 -3.465 -1.184 1.00 0.00 C ATOM 747 C LYS A 66 -7.448 -4.691 -0.442 1.00 0.00 C ATOM 748 O LYS A 66 -6.373 -5.194 -0.764 1.00 0.00 O ATOM 749 CB LYS A 66 -9.198 -3.848 -2.034 1.00 0.00 C ATOM 750 CG LYS A 66 -8.867 -4.784 -3.183 1.00 0.00 C ATOM 751 CD LYS A 66 -10.062 -5.643 -3.561 1.00 0.00 C ATOM 752 CE LYS A 66 -10.311 -6.736 -2.532 1.00 0.00 C ATOM 753 NZ LYS A 66 -11.697 -7.273 -2.614 1.00 0.00 N ATOM 0 H LYS A 66 -6.581 -3.521 -2.741 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.290 -2.722 -0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.943 -4.321 -1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.651 -2.941 -2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.547 -4.202 -4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.031 -5.425 -2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.949 -5.016 -3.649 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.892 -6.094 -4.539 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.598 -7.547 -2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.134 -6.340 -1.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.825 -8.015 -1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.377 -6.505 -2.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.858 -7.675 -3.560 1.00 0.00 H new ATOM 767 N PRO A 67 -8.183 -5.193 0.566 1.00 0.00 N ATOM 768 CA PRO A 67 -7.758 -6.360 1.344 1.00 0.00 C ATOM 769 C PRO A 67 -7.220 -7.489 0.467 1.00 0.00 C ATOM 770 O PRO A 67 -7.672 -7.674 -0.663 1.00 0.00 O ATOM 771 CB PRO A 67 -9.044 -6.787 2.048 1.00 0.00 C ATOM 772 CG PRO A 67 -9.798 -5.517 2.236 1.00 0.00 C ATOM 773 CD PRO A 67 -9.482 -4.664 1.035 1.00 0.00 C ATOM 0 HA PRO A 67 -6.937 -6.126 2.022 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.609 -7.500 1.447 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.834 -7.270 3.002 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.869 -5.706 2.309 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.499 -5.019 3.158 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.251 -4.751 0.268 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.413 -3.609 1.299 1.00 0.00 H new ATOM 781 N TYR A 68 -6.244 -8.228 0.999 1.00 0.00 N ATOM 782 CA TYR A 68 -5.612 -9.350 0.291 1.00 0.00 C ATOM 783 C TYR A 68 -4.510 -8.871 -0.658 1.00 0.00 C ATOM 784 O TYR A 68 -3.750 -9.680 -1.188 1.00 0.00 O ATOM 785 CB TYR A 68 -6.644 -10.192 -0.474 1.00 0.00 C ATOM 786 CG TYR A 68 -7.028 -11.465 0.243 1.00 0.00 C ATOM 787 CD1 TYR A 68 -7.830 -11.431 1.376 1.00 0.00 C ATOM 788 CD2 TYR A 68 -6.585 -12.702 -0.211 1.00 0.00 C ATOM 789 CE1 TYR A 68 -8.182 -12.590 2.037 1.00 0.00 C ATOM 790 CE2 TYR A 68 -6.932 -13.866 0.446 1.00 0.00 C ATOM 791 CZ TYR A 68 -7.730 -13.806 1.568 1.00 0.00 C ATOM 792 OH TYR A 68 -8.078 -14.965 2.223 1.00 0.00 O ATOM 0 H TYR A 68 -5.867 -8.068 1.933 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.155 -9.982 1.052 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.539 -9.593 -0.641 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.242 -10.443 -1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.185 -10.481 1.746 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.960 -12.753 -1.090 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.808 -12.545 2.916 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.579 -14.820 0.082 1.00 0.00 H new ATOM 0 HH TYR A 68 -7.679 -15.733 1.764 1.00 0.00 H new ATOM 802 N ASP A 69 -4.427 -7.558 -0.864 1.00 0.00 N ATOM 803 CA ASP A 69 -3.417 -6.974 -1.740 1.00 0.00 C ATOM 804 C ASP A 69 -2.020 -7.411 -1.323 1.00 0.00 C ATOM 805 O ASP A 69 -1.355 -6.742 -0.531 1.00 0.00 O ATOM 806 CB ASP A 69 -3.516 -5.447 -1.724 1.00 0.00 C ATOM 807 CG ASP A 69 -4.542 -4.925 -2.711 1.00 0.00 C ATOM 808 OD1 ASP A 69 -5.466 -5.689 -3.064 1.00 0.00 O ATOM 809 OD2 ASP A 69 -4.421 -3.756 -3.128 1.00 0.00 O ATOM 0 H ASP A 69 -5.051 -6.876 -0.433 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.601 -7.330 -2.754 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.778 -5.113 -0.720 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.541 -5.020 -1.957 1.00 0.00 H new ATOM 814 N ARG A 70 -1.587 -8.541 -1.860 1.00 0.00 N ATOM 815 CA ARG A 70 -0.275 -9.084 -1.552 1.00 0.00 C ATOM 816 C ARG A 70 0.832 -8.183 -2.095 1.00 0.00 C ATOM 817 O ARG A 70 1.140 -8.210 -3.287 1.00 0.00 O ATOM 818 CB ARG A 70 -0.166 -10.490 -2.139 1.00 0.00 C ATOM 819 CG ARG A 70 1.215 -11.116 -2.008 1.00 0.00 C ATOM 820 CD ARG A 70 1.426 -12.223 -3.031 1.00 0.00 C ATOM 821 NE ARG A 70 0.322 -13.181 -3.038 1.00 0.00 N ATOM 822 CZ ARG A 70 0.403 -14.401 -3.564 1.00 0.00 C ATOM 823 NH1 ARG A 70 1.532 -14.814 -4.129 1.00 0.00 N ATOM 824 NH2 ARG A 70 -0.646 -15.211 -3.525 1.00 0.00 N ATOM 0 H ARG A 70 -2.130 -9.103 -2.516 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.154 -9.133 -0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.893 -11.135 -1.645 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.437 -10.453 -3.194 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.977 -10.348 -2.139 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.339 -11.520 -1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.531 -11.784 -4.023 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.358 -12.745 -2.813 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.562 -12.898 -2.615 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.342 -14.195 -4.161 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.589 -15.750 -4.531 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.515 -14.899 -3.092 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.584 -16.146 -3.928 1.00 0.00 H new ATOM 838 N LEU A 71 1.423 -7.385 -1.209 1.00 0.00 N ATOM 839 CA LEU A 71 2.496 -6.469 -1.594 1.00 0.00 C ATOM 840 C LEU A 71 3.642 -7.220 -2.263 1.00 0.00 C ATOM 841 O LEU A 71 4.390 -7.945 -1.608 1.00 0.00 O ATOM 842 CB LEU A 71 3.016 -5.717 -0.369 1.00 0.00 C ATOM 843 CG LEU A 71 2.118 -4.581 0.123 1.00 0.00 C ATOM 844 CD1 LEU A 71 1.233 -5.054 1.265 1.00 0.00 C ATOM 845 CD2 LEU A 71 2.957 -3.387 0.557 1.00 0.00 C ATOM 0 H LEU A 71 1.178 -7.353 -0.219 1.00 0.00 H new ATOM 0 HA LEU A 71 2.088 -5.754 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.153 -6.429 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.999 -5.307 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 71 1.476 -4.270 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.602 -4.231 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.605 -5.876 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.857 -5.394 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.301 -2.588 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.624 -3.686 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.547 -3.031 -0.287 1.00 0.00 H new ATOM 857 N LEU A 72 3.772 -7.042 -3.574 1.00 0.00 N ATOM 858 CA LEU A 72 4.826 -7.703 -4.331 1.00 0.00 C ATOM 859 C LEU A 72 6.141 -6.936 -4.242 1.00 0.00 C ATOM 860 O LEU A 72 7.163 -7.486 -3.837 1.00 0.00 O ATOM 861 CB LEU A 72 4.412 -7.859 -5.796 1.00 0.00 C ATOM 862 CG LEU A 72 3.028 -8.473 -6.017 1.00 0.00 C ATOM 863 CD1 LEU A 72 2.786 -8.717 -7.498 1.00 0.00 C ATOM 864 CD2 LEU A 72 2.886 -9.770 -5.234 1.00 0.00 C ATOM 0 H LEU A 72 3.161 -6.446 -4.132 1.00 0.00 H new ATOM 0 HA LEU A 72 4.978 -8.690 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.437 -6.878 -6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.152 -8.478 -6.303 1.00 0.00 H new ATOM 0 HG LEU A 72 2.278 -7.770 -5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.797 -9.154 -7.638 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.844 -7.771 -8.037 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.543 -9.401 -7.882 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.895 -10.191 -5.404 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.644 -10.480 -5.565 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.017 -9.569 -4.171 1.00 0.00 H new ATOM 876 N GLN A 73 6.113 -5.665 -4.632 1.00 0.00 N ATOM 877 CA GLN A 73 7.313 -4.838 -4.599 1.00 0.00 C ATOM 878 C GLN A 73 7.003 -3.428 -4.110 1.00 0.00 C ATOM 879 O GLN A 73 6.013 -2.819 -4.513 1.00 0.00 O ATOM 880 CB GLN A 73 7.948 -4.777 -5.988 1.00 0.00 C ATOM 881 CG GLN A 73 7.023 -4.219 -7.057 1.00 0.00 C ATOM 882 CD GLN A 73 7.776 -3.695 -8.264 1.00 0.00 C ATOM 883 OE1 GLN A 73 7.635 -2.531 -8.641 1.00 0.00 O ATOM 884 NE2 GLN A 73 8.582 -4.553 -8.878 1.00 0.00 N ATOM 0 H GLN A 73 5.278 -5.188 -4.972 1.00 0.00 H new ATOM 0 HA GLN A 73 8.013 -5.294 -3.899 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.847 -4.162 -5.940 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.262 -5.779 -6.279 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.330 -4.998 -7.376 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.424 -3.415 -6.630 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.669 -5.508 -8.532 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.114 -4.257 -9.696 1.00 0.00 H new ATOM 893 N VAL A 74 7.870 -2.910 -3.244 1.00 0.00 N ATOM 894 CA VAL A 74 7.704 -1.568 -2.705 1.00 0.00 C ATOM 895 C VAL A 74 8.733 -0.623 -3.311 1.00 0.00 C ATOM 896 O VAL A 74 9.928 -0.740 -3.042 1.00 0.00 O ATOM 897 CB VAL A 74 7.849 -1.553 -1.171 1.00 0.00 C ATOM 898 CG1 VAL A 74 7.525 -0.174 -0.616 1.00 0.00 C ATOM 899 CG2 VAL A 74 6.958 -2.613 -0.539 1.00 0.00 C ATOM 0 H VAL A 74 8.695 -3.402 -2.902 1.00 0.00 H new ATOM 0 HA VAL A 74 6.698 -1.236 -2.964 1.00 0.00 H new ATOM 0 HB VAL A 74 8.884 -1.785 -0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.633 -0.184 0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.209 0.560 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.500 0.091 -0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.074 -2.587 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.918 -2.415 -0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.243 -3.597 -0.911 1.00 0.00 H new ATOM 909 N ASN A 75 8.263 0.301 -4.147 1.00 0.00 N ATOM 910 CA ASN A 75 9.138 1.267 -4.812 1.00 0.00 C ATOM 911 C ASN A 75 9.945 0.592 -5.915 1.00 0.00 C ATOM 912 O ASN A 75 9.862 0.973 -7.082 1.00 0.00 O ATOM 913 CB ASN A 75 10.075 1.950 -3.809 1.00 0.00 C ATOM 914 CG ASN A 75 9.366 3.004 -2.983 1.00 0.00 C ATOM 915 OD1 ASN A 75 9.708 4.186 -3.035 1.00 0.00 O ATOM 916 ND2 ASN A 75 8.371 2.581 -2.210 1.00 0.00 N ATOM 0 H ASN A 75 7.275 0.402 -4.381 1.00 0.00 H new ATOM 0 HA ASN A 75 8.506 2.033 -5.261 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.502 1.199 -3.145 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.905 2.410 -4.346 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.858 3.245 -1.630 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.120 1.592 -2.197 1.00 0.00 H new ATOM 923 N HIS A 76 10.722 -0.413 -5.535 1.00 0.00 N ATOM 924 CA HIS A 76 11.546 -1.148 -6.488 1.00 0.00 C ATOM 925 C HIS A 76 12.104 -2.436 -5.873 1.00 0.00 C ATOM 926 O HIS A 76 12.633 -3.288 -6.587 1.00 0.00 O ATOM 927 CB HIS A 76 12.694 -0.267 -6.985 1.00 0.00 C ATOM 928 CG HIS A 76 12.819 -0.233 -8.477 1.00 0.00 C ATOM 929 ND1 HIS A 76 12.781 -1.367 -9.261 1.00 0.00 N ATOM 930 CD2 HIS A 76 12.982 0.806 -9.330 1.00 0.00 C ATOM 931 CE1 HIS A 76 12.915 -1.026 -10.531 1.00 0.00 C ATOM 932 NE2 HIS A 76 13.038 0.285 -10.598 1.00 0.00 N ATOM 0 H HIS A 76 10.800 -0.739 -4.572 1.00 0.00 H new ATOM 0 HA HIS A 76 10.912 -1.424 -7.330 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.547 0.749 -6.618 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.630 -0.628 -6.558 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.054 1.850 -9.062 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.922 -1.705 -11.371 1.00 0.00 H new ATOM 0 HE2 HIS A 76 13.156 0.825 -11.455 1.00 0.00 H new ATOM 941 N VAL A 77 11.986 -2.574 -4.554 1.00 0.00 N ATOM 942 CA VAL A 77 12.485 -3.760 -3.866 1.00 0.00 C ATOM 943 C VAL A 77 11.467 -4.898 -3.906 1.00 0.00 C ATOM 944 O VAL A 77 10.283 -4.697 -3.638 1.00 0.00 O ATOM 945 CB VAL A 77 12.847 -3.449 -2.398 1.00 0.00 C ATOM 946 CG1 VAL A 77 11.622 -2.998 -1.617 1.00 0.00 C ATOM 947 CG2 VAL A 77 13.494 -4.658 -1.740 1.00 0.00 C ATOM 0 H VAL A 77 11.551 -1.882 -3.944 1.00 0.00 H new ATOM 0 HA VAL A 77 13.386 -4.073 -4.394 1.00 0.00 H new ATOM 0 HB VAL A 77 13.566 -2.630 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.906 -2.786 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.211 -2.097 -2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 77 10.871 -3.787 -1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 77 13.742 -4.420 -0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 77 12.801 -5.499 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 77 14.403 -4.923 -2.280 1.00 0.00 H new ATOM 957 N ARG A 78 11.940 -6.095 -4.245 1.00 0.00 N ATOM 958 CA ARG A 78 11.073 -7.267 -4.320 1.00 0.00 C ATOM 959 C ARG A 78 10.658 -7.728 -2.927 1.00 0.00 C ATOM 960 O ARG A 78 11.333 -8.553 -2.308 1.00 0.00 O ATOM 961 CB ARG A 78 11.784 -8.405 -5.056 1.00 0.00 C ATOM 962 CG ARG A 78 12.343 -8.000 -6.411 1.00 0.00 C ATOM 963 CD ARG A 78 11.373 -8.333 -7.534 1.00 0.00 C ATOM 964 NE ARG A 78 11.960 -8.091 -8.850 1.00 0.00 N ATOM 965 CZ ARG A 78 12.067 -6.886 -9.405 1.00 0.00 C ATOM 966 NH1 ARG A 78 11.630 -5.811 -8.762 1.00 0.00 N ATOM 967 NH2 ARG A 78 12.615 -6.757 -10.605 1.00 0.00 N ATOM 0 H ARG A 78 12.917 -6.278 -4.472 1.00 0.00 H new ATOM 0 HA ARG A 78 10.175 -6.990 -4.873 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.598 -8.776 -4.433 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.085 -9.230 -5.193 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.553 -6.930 -6.415 1.00 0.00 H new ATOM 0 HG3 ARG A 78 13.290 -8.511 -6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.073 -9.378 -7.457 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.470 -7.733 -7.423 1.00 0.00 H new ATOM 0 HE ARG A 78 12.309 -8.893 -9.375 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.209 -5.906 -7.838 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.715 -4.890 -9.192 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.954 -7.581 -11.102 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.698 -5.834 -11.031 1.00 0.00 H new ATOM 981 N THR A 79 9.545 -7.193 -2.437 1.00 0.00 N ATOM 982 CA THR A 79 9.040 -7.548 -1.117 1.00 0.00 C ATOM 983 C THR A 79 7.971 -8.636 -1.205 1.00 0.00 C ATOM 984 O THR A 79 7.168 -8.802 -0.287 1.00 0.00 O ATOM 985 CB THR A 79 8.467 -6.315 -0.418 1.00 0.00 C ATOM 986 OG1 THR A 79 7.289 -5.873 -1.067 1.00 0.00 O ATOM 987 CG2 THR A 79 9.432 -5.149 -0.377 1.00 0.00 C ATOM 0 H THR A 79 8.975 -6.510 -2.936 1.00 0.00 H new ATOM 0 HA THR A 79 9.876 -7.936 -0.536 1.00 0.00 H new ATOM 0 HB THR A 79 8.260 -6.632 0.604 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.642 -5.566 -0.398 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.964 -4.307 0.132 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.334 -5.442 0.160 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.694 -4.858 -1.394 1.00 0.00 H new ATOM 995 N ARG A 80 7.965 -9.379 -2.310 1.00 0.00 N ATOM 996 CA ARG A 80 6.993 -10.447 -2.501 1.00 0.00 C ATOM 997 C ARG A 80 7.294 -11.619 -1.572 1.00 0.00 C ATOM 998 O ARG A 80 6.389 -12.196 -0.969 1.00 0.00 O ATOM 999 CB ARG A 80 6.991 -10.916 -3.959 1.00 0.00 C ATOM 1000 CG ARG A 80 5.603 -10.958 -4.579 1.00 0.00 C ATOM 1001 CD ARG A 80 5.287 -12.328 -5.163 1.00 0.00 C ATOM 1002 NE ARG A 80 6.085 -12.612 -6.354 1.00 0.00 N ATOM 1003 CZ ARG A 80 7.167 -13.391 -6.363 1.00 0.00 C ATOM 1004 NH1 ARG A 80 7.595 -13.969 -5.247 1.00 0.00 N ATOM 1005 NH2 ARG A 80 7.823 -13.593 -7.497 1.00 0.00 N ATOM 0 H ARG A 80 8.621 -9.260 -3.082 1.00 0.00 H new ATOM 0 HA ARG A 80 6.005 -10.056 -2.258 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.623 -10.251 -4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.435 -11.910 -4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.859 -10.704 -3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.532 -10.203 -5.362 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.473 -13.095 -4.411 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.228 -12.379 -5.415 1.00 0.00 H new ATOM 0 HE ARG A 80 5.796 -12.187 -7.235 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.095 -13.819 -4.371 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.424 -14.563 -5.266 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.500 -13.153 -8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.651 -14.188 -7.508 1.00 0.00 H new ATOM 1019 N ASP A 81 8.574 -11.959 -1.460 1.00 0.00 N ATOM 1020 CA ASP A 81 9.001 -13.055 -0.600 1.00 0.00 C ATOM 1021 C ASP A 81 9.360 -12.550 0.798 1.00 0.00 C ATOM 1022 O ASP A 81 10.001 -13.257 1.577 1.00 0.00 O ATOM 1023 CB ASP A 81 10.203 -13.774 -1.215 1.00 0.00 C ATOM 1024 CG ASP A 81 9.789 -14.921 -2.119 1.00 0.00 C ATOM 1025 OD1 ASP A 81 9.229 -14.651 -3.201 1.00 0.00 O ATOM 1026 OD2 ASP A 81 10.026 -16.088 -1.743 1.00 0.00 O ATOM 0 H ASP A 81 9.333 -11.491 -1.955 1.00 0.00 H new ATOM 0 HA ASP A 81 8.170 -13.755 -0.511 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.797 -13.060 -1.786 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.842 -14.155 -0.418 1.00 0.00 H new ATOM 1031 N PHE A 82 8.946 -11.325 1.111 1.00 0.00 N ATOM 1032 CA PHE A 82 9.226 -10.730 2.410 1.00 0.00 C ATOM 1033 C PHE A 82 8.226 -11.208 3.456 1.00 0.00 C ATOM 1034 O PHE A 82 7.242 -11.873 3.133 1.00 0.00 O ATOM 1035 CB PHE A 82 9.177 -9.203 2.313 1.00 0.00 C ATOM 1036 CG PHE A 82 10.486 -8.576 1.926 1.00 0.00 C ATOM 1037 CD1 PHE A 82 11.335 -9.202 1.028 1.00 0.00 C ATOM 1038 CD2 PHE A 82 10.865 -7.355 2.462 1.00 0.00 C ATOM 1039 CE1 PHE A 82 12.538 -8.622 0.671 1.00 0.00 C ATOM 1040 CE2 PHE A 82 12.066 -6.771 2.109 1.00 0.00 C ATOM 1041 CZ PHE A 82 12.904 -7.406 1.214 1.00 0.00 C ATOM 0 H PHE A 82 8.414 -10.726 0.480 1.00 0.00 H new ATOM 0 HA PHE A 82 10.225 -11.042 2.715 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.419 -8.919 1.583 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.861 -8.797 3.274 1.00 0.00 H new ATOM 0 HD1 PHE A 82 11.054 -10.154 0.602 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.214 -6.855 3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.191 -9.119 -0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.349 -5.819 2.533 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.845 -6.952 0.939 1.00 0.00 H new ATOM 1051 N ASP A 83 8.481 -10.855 4.711 1.00 0.00 N ATOM 1052 CA ASP A 83 7.601 -11.235 5.807 1.00 0.00 C ATOM 1053 C ASP A 83 6.903 -10.006 6.378 1.00 0.00 C ATOM 1054 O ASP A 83 7.334 -8.876 6.145 1.00 0.00 O ATOM 1055 CB ASP A 83 8.395 -11.943 6.908 1.00 0.00 C ATOM 1056 CG ASP A 83 7.515 -12.802 7.793 1.00 0.00 C ATOM 1057 OD1 ASP A 83 6.482 -13.302 7.299 1.00 0.00 O ATOM 1058 OD2 ASP A 83 7.860 -12.978 8.981 1.00 0.00 O ATOM 0 H ASP A 83 9.292 -10.305 4.994 1.00 0.00 H new ATOM 0 HA ASP A 83 6.847 -11.921 5.420 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.166 -12.565 6.453 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.905 -11.199 7.520 1.00 0.00 H new ATOM 1063 N CYS A 84 5.825 -10.227 7.122 1.00 0.00 N ATOM 1064 CA CYS A 84 5.073 -9.127 7.718 1.00 0.00 C ATOM 1065 C CYS A 84 5.999 -8.192 8.490 1.00 0.00 C ATOM 1066 O CYS A 84 5.887 -6.971 8.389 1.00 0.00 O ATOM 1067 CB CYS A 84 3.984 -9.670 8.646 1.00 0.00 C ATOM 1068 SG CYS A 84 4.590 -10.815 9.907 1.00 0.00 S ATOM 0 H CYS A 84 5.453 -11.154 7.327 1.00 0.00 H new ATOM 0 HA CYS A 84 4.604 -8.561 6.913 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.491 -8.832 9.139 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.229 -10.176 8.045 1.00 0.00 H new ATOM 0 HG CYS A 84 3.753 -11.801 10.036 1.00 0.00 H new ATOM 1074 N CYS A 85 6.914 -8.773 9.257 1.00 0.00 N ATOM 1075 CA CYS A 85 7.857 -7.994 10.043 1.00 0.00 C ATOM 1076 C CYS A 85 8.740 -7.125 9.150 1.00 0.00 C ATOM 1077 O CYS A 85 9.300 -6.128 9.601 1.00 0.00 O ATOM 1078 CB CYS A 85 8.726 -8.918 10.897 1.00 0.00 C ATOM 1079 SG CYS A 85 8.098 -9.184 12.572 1.00 0.00 S ATOM 0 H CYS A 85 7.021 -9.783 9.350 1.00 0.00 H new ATOM 0 HA CYS A 85 7.283 -7.336 10.696 1.00 0.00 H new ATOM 0 HB2 CYS A 85 8.813 -9.882 10.396 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.730 -8.499 10.959 1.00 0.00 H new ATOM 0 HG CYS A 85 8.900 -9.980 13.215 1.00 0.00 H new ATOM 1085 N LEU A 86 8.864 -7.512 7.882 1.00 0.00 N ATOM 1086 CA LEU A 86 9.683 -6.767 6.933 1.00 0.00 C ATOM 1087 C LEU A 86 8.834 -5.795 6.118 1.00 0.00 C ATOM 1088 O LEU A 86 9.304 -4.728 5.714 1.00 0.00 O ATOM 1089 CB LEU A 86 10.415 -7.728 5.995 1.00 0.00 C ATOM 1090 CG LEU A 86 11.765 -8.233 6.508 1.00 0.00 C ATOM 1091 CD1 LEU A 86 11.588 -8.997 7.812 1.00 0.00 C ATOM 1092 CD2 LEU A 86 12.438 -9.108 5.462 1.00 0.00 C ATOM 0 H LEU A 86 8.408 -8.336 7.490 1.00 0.00 H new ATOM 0 HA LEU A 86 10.414 -6.192 7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.771 -8.587 5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.571 -7.229 5.038 1.00 0.00 H new ATOM 0 HG LEU A 86 12.406 -7.372 6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.558 -9.349 8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.148 -8.340 8.562 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.931 -9.851 7.647 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.397 -9.459 5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.801 -9.964 5.239 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.599 -8.529 4.552 1.00 0.00 H new ATOM 1104 N VAL A 87 7.580 -6.166 5.885 1.00 0.00 N ATOM 1105 CA VAL A 87 6.671 -5.327 5.119 1.00 0.00 C ATOM 1106 C VAL A 87 6.117 -4.190 5.970 1.00 0.00 C ATOM 1107 O VAL A 87 5.910 -3.083 5.475 1.00 0.00 O ATOM 1108 CB VAL A 87 5.503 -6.151 4.540 1.00 0.00 C ATOM 1109 CG1 VAL A 87 4.584 -5.269 3.707 1.00 0.00 C ATOM 1110 CG2 VAL A 87 6.033 -7.310 3.709 1.00 0.00 C ATOM 0 H VAL A 87 7.172 -7.041 6.215 1.00 0.00 H new ATOM 0 HA VAL A 87 7.247 -4.903 4.296 1.00 0.00 H new ATOM 0 HB VAL A 87 4.924 -6.557 5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.767 -5.870 3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.178 -4.474 4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.148 -4.831 2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.197 -7.882 3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.636 -6.923 2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.647 -7.957 4.336 1.00 0.00 H new ATOM 1120 N VAL A 88 5.878 -4.461 7.250 1.00 0.00 N ATOM 1121 CA VAL A 88 5.347 -3.440 8.146 1.00 0.00 C ATOM 1122 C VAL A 88 6.279 -2.229 8.207 1.00 0.00 C ATOM 1123 O VAL A 88 5.841 -1.095 8.018 1.00 0.00 O ATOM 1124 CB VAL A 88 5.102 -3.985 9.572 1.00 0.00 C ATOM 1125 CG1 VAL A 88 4.514 -2.902 10.469 1.00 0.00 C ATOM 1126 CG2 VAL A 88 4.187 -5.200 9.527 1.00 0.00 C ATOM 0 H VAL A 88 6.042 -5.369 7.686 1.00 0.00 H new ATOM 0 HA VAL A 88 4.385 -3.132 7.736 1.00 0.00 H new ATOM 0 HB VAL A 88 6.060 -4.291 9.992 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.349 -3.306 11.468 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.206 -2.062 10.527 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.565 -2.562 10.054 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.025 -5.571 10.539 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.231 -4.919 9.086 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.649 -5.981 8.924 1.00 0.00 H new ATOM 1136 N PRO A 89 7.585 -2.449 8.457 1.00 0.00 N ATOM 1137 CA PRO A 89 8.565 -1.365 8.522 1.00 0.00 C ATOM 1138 C PRO A 89 8.799 -0.738 7.154 1.00 0.00 C ATOM 1139 O PRO A 89 8.839 0.485 7.019 1.00 0.00 O ATOM 1140 CB PRO A 89 9.847 -2.046 9.028 1.00 0.00 C ATOM 1141 CG PRO A 89 9.422 -3.397 9.499 1.00 0.00 C ATOM 1142 CD PRO A 89 8.216 -3.756 8.682 1.00 0.00 C ATOM 0 HA PRO A 89 8.231 -0.553 9.167 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.590 -2.123 8.234 1.00 0.00 H new ATOM 0 HB3 PRO A 89 10.302 -1.474 9.836 1.00 0.00 H new ATOM 0 HG2 PRO A 89 10.219 -4.128 9.361 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.183 -3.383 10.562 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.490 -4.241 7.745 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.554 -4.440 9.214 1.00 0.00 H new ATOM 1150 N LEU A 90 8.945 -1.586 6.134 1.00 0.00 N ATOM 1151 CA LEU A 90 9.164 -1.109 4.776 1.00 0.00 C ATOM 1152 C LEU A 90 8.065 -0.134 4.364 1.00 0.00 C ATOM 1153 O LEU A 90 8.289 0.770 3.560 1.00 0.00 O ATOM 1154 CB LEU A 90 9.210 -2.285 3.799 1.00 0.00 C ATOM 1155 CG LEU A 90 10.569 -2.979 3.686 1.00 0.00 C ATOM 1156 CD1 LEU A 90 10.406 -4.383 3.122 1.00 0.00 C ATOM 1157 CD2 LEU A 90 11.514 -2.158 2.823 1.00 0.00 C ATOM 0 H LEU A 90 8.915 -2.601 6.226 1.00 0.00 H new ATOM 0 HA LEU A 90 10.121 -0.588 4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.467 -3.022 4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.917 -1.929 2.811 1.00 0.00 H new ATOM 0 HG LEU A 90 11.000 -3.061 4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.383 -4.861 3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.764 -4.968 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.954 -4.327 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.476 -2.665 2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.090 -2.045 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.654 -1.174 3.271 1.00 0.00 H new ATOM 1169 N ILE A 91 6.877 -0.322 4.930 1.00 0.00 N ATOM 1170 CA ILE A 91 5.741 0.540 4.634 1.00 0.00 C ATOM 1171 C ILE A 91 5.857 1.860 5.391 1.00 0.00 C ATOM 1172 O ILE A 91 5.722 2.935 4.808 1.00 0.00 O ATOM 1173 CB ILE A 91 4.405 -0.152 4.997 1.00 0.00 C ATOM 1174 CG1 ILE A 91 4.156 -1.341 4.066 1.00 0.00 C ATOM 1175 CG2 ILE A 91 3.239 0.830 4.929 1.00 0.00 C ATOM 1176 CD1 ILE A 91 3.220 -2.377 4.646 1.00 0.00 C ATOM 0 H ILE A 91 6.677 -1.066 5.598 1.00 0.00 H new ATOM 0 HA ILE A 91 5.749 0.740 3.562 1.00 0.00 H new ATOM 0 HB ILE A 91 4.479 -0.515 6.022 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.743 -0.976 3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.109 -1.815 3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.314 0.315 5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.409 1.646 5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.159 1.231 3.919 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.090 -3.190 3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.641 -2.771 5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.253 -1.918 4.854 1.00 0.00 H new ATOM 1188 N ALA A 92 6.104 1.770 6.694 1.00 0.00 N ATOM 1189 CA ALA A 92 6.234 2.949 7.532 1.00 0.00 C ATOM 1190 C ALA A 92 7.539 3.701 7.262 1.00 0.00 C ATOM 1191 O ALA A 92 7.777 4.764 7.835 1.00 0.00 O ATOM 1192 CB ALA A 92 6.142 2.564 9.000 1.00 0.00 C ATOM 0 H ALA A 92 6.218 0.887 7.191 1.00 0.00 H new ATOM 0 HA ALA A 92 5.412 3.620 7.284 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.241 3.457 9.617 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.178 2.094 9.193 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.941 1.864 9.243 1.00 0.00 H new ATOM 1198 N GLU A 93 8.383 3.149 6.394 1.00 0.00 N ATOM 1199 CA GLU A 93 9.658 3.779 6.067 1.00 0.00 C ATOM 1200 C GLU A 93 9.617 4.452 4.696 1.00 0.00 C ATOM 1201 O GLU A 93 10.540 5.174 4.325 1.00 0.00 O ATOM 1202 CB GLU A 93 10.784 2.744 6.105 1.00 0.00 C ATOM 1203 CG GLU A 93 11.484 2.655 7.453 1.00 0.00 C ATOM 1204 CD GLU A 93 12.964 2.975 7.365 1.00 0.00 C ATOM 1205 OE1 GLU A 93 13.620 2.498 6.414 1.00 0.00 O ATOM 1206 OE2 GLU A 93 13.466 3.701 8.247 1.00 0.00 O ATOM 0 H GLU A 93 8.208 2.270 5.906 1.00 0.00 H new ATOM 0 HA GLU A 93 9.848 4.549 6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.376 1.766 5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.519 2.991 5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.008 3.344 8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.357 1.651 7.859 1.00 0.00 H new ATOM 1213 N SER A 94 8.545 4.213 3.948 1.00 0.00 N ATOM 1214 CA SER A 94 8.396 4.802 2.620 1.00 0.00 C ATOM 1215 C SER A 94 8.285 6.321 2.695 1.00 0.00 C ATOM 1216 O SER A 94 8.452 7.015 1.690 1.00 0.00 O ATOM 1217 CB SER A 94 7.170 4.223 1.913 1.00 0.00 C ATOM 1218 OG SER A 94 7.280 4.366 0.508 1.00 0.00 O ATOM 0 H SER A 94 7.768 3.618 4.236 1.00 0.00 H new ATOM 0 HA SER A 94 9.289 4.554 2.046 1.00 0.00 H new ATOM 0 HB2 SER A 94 7.063 3.169 2.168 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.271 4.729 2.264 1.00 0.00 H new ATOM 0 HG SER A 94 6.891 5.223 0.235 1.00 0.00 H new ATOM 1224 N GLY A 95 8.005 6.833 3.885 1.00 0.00 N ATOM 1225 CA GLY A 95 7.877 8.268 4.064 1.00 0.00 C ATOM 1226 C GLY A 95 6.441 8.742 3.967 1.00 0.00 C ATOM 1227 O GLY A 95 5.519 8.052 4.405 1.00 0.00 O ATOM 0 H GLY A 95 7.864 6.281 4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.283 8.547 5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.476 8.779 3.310 1.00 0.00 H new ATOM 1231 N ASN A 96 6.250 9.926 3.393 1.00 0.00 N ATOM 1232 CA ASN A 96 4.916 10.497 3.239 1.00 0.00 C ATOM 1233 C ASN A 96 4.125 9.787 2.141 1.00 0.00 C ATOM 1234 O ASN A 96 2.923 10.007 1.993 1.00 0.00 O ATOM 1235 CB ASN A 96 5.016 11.991 2.926 1.00 0.00 C ATOM 1236 CG ASN A 96 4.850 12.855 4.162 1.00 0.00 C ATOM 1237 OD1 ASN A 96 3.967 13.711 4.219 1.00 0.00 O ATOM 1238 ND2 ASN A 96 5.697 12.633 5.158 1.00 0.00 N ATOM 0 H ASN A 96 7.003 10.509 3.027 1.00 0.00 H new ATOM 0 HA ASN A 96 4.384 10.358 4.180 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.983 12.199 2.468 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.253 12.258 2.195 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.632 13.182 6.015 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.414 11.913 5.067 1.00 0.00 H new ATOM 1245 N LYS A 97 4.801 8.937 1.370 1.00 0.00 N ATOM 1246 CA LYS A 97 4.149 8.204 0.291 1.00 0.00 C ATOM 1247 C LYS A 97 4.627 6.756 0.251 1.00 0.00 C ATOM 1248 O LYS A 97 5.722 6.443 0.717 1.00 0.00 O ATOM 1249 CB LYS A 97 4.429 8.880 -1.054 1.00 0.00 C ATOM 1250 CG LYS A 97 3.637 10.161 -1.266 1.00 0.00 C ATOM 1251 CD LYS A 97 4.354 11.108 -2.215 1.00 0.00 C ATOM 1252 CE LYS A 97 4.300 10.607 -3.650 1.00 0.00 C ATOM 1253 NZ LYS A 97 4.390 11.723 -4.634 1.00 0.00 N ATOM 0 H LYS A 97 5.797 8.741 1.473 1.00 0.00 H new ATOM 0 HA LYS A 97 3.075 8.210 0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.493 9.105 -1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.197 8.182 -1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.652 9.919 -1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.479 10.655 -0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.899 12.097 -2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.393 11.217 -1.905 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.117 9.906 -3.821 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.372 10.058 -3.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.350 11.339 -5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.596 12.379 -4.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.287 12.231 -4.501 1.00 0.00 H new ATOM 1267 N LEU A 98 3.801 5.878 -0.308 1.00 0.00 N ATOM 1268 CA LEU A 98 4.148 4.465 -0.405 1.00 0.00 C ATOM 1269 C LEU A 98 3.725 3.886 -1.751 1.00 0.00 C ATOM 1270 O LEU A 98 2.573 3.495 -1.933 1.00 0.00 O ATOM 1271 CB LEU A 98 3.485 3.674 0.728 1.00 0.00 C ATOM 1272 CG LEU A 98 4.351 2.582 1.368 1.00 0.00 C ATOM 1273 CD1 LEU A 98 3.469 1.548 2.048 1.00 0.00 C ATOM 1274 CD2 LEU A 98 5.246 1.915 0.331 1.00 0.00 C ATOM 0 H LEU A 98 2.890 6.119 -0.699 1.00 0.00 H new ATOM 0 HA LEU A 98 5.231 4.381 -0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.181 4.374 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.576 3.212 0.341 1.00 0.00 H new ATOM 0 HG LEU A 98 4.992 3.049 2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.094 0.777 2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.873 2.031 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.807 1.093 1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.849 1.145 0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.629 1.461 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.901 2.661 -0.118 1.00 0.00 H new ATOM 1286 N ASP A 99 4.669 3.814 -2.683 1.00 0.00 N ATOM 1287 CA ASP A 99 4.397 3.262 -4.005 1.00 0.00 C ATOM 1288 C ASP A 99 4.806 1.796 -4.052 1.00 0.00 C ATOM 1289 O ASP A 99 5.974 1.464 -3.849 1.00 0.00 O ATOM 1290 CB ASP A 99 5.145 4.053 -5.078 1.00 0.00 C ATOM 1291 CG ASP A 99 4.671 3.718 -6.479 1.00 0.00 C ATOM 1292 OD1 ASP A 99 4.148 2.601 -6.676 1.00 0.00 O ATOM 1293 OD2 ASP A 99 4.822 4.572 -7.378 1.00 0.00 O ATOM 0 H ASP A 99 5.629 4.131 -2.548 1.00 0.00 H new ATOM 0 HA ASP A 99 3.328 3.338 -4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.012 5.120 -4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 99 6.212 3.847 -5.000 1.00 0.00 H new ATOM 1298 N LEU A 100 3.840 0.918 -4.303 1.00 0.00 N ATOM 1299 CA LEU A 100 4.119 -0.514 -4.352 1.00 0.00 C ATOM 1300 C LEU A 100 3.183 -1.248 -5.308 1.00 0.00 C ATOM 1301 O LEU A 100 2.136 -0.732 -5.694 1.00 0.00 O ATOM 1302 CB LEU A 100 3.985 -1.117 -2.953 1.00 0.00 C ATOM 1303 CG LEU A 100 2.730 -0.697 -2.187 1.00 0.00 C ATOM 1304 CD1 LEU A 100 1.618 -1.715 -2.383 1.00 0.00 C ATOM 1305 CD2 LEU A 100 3.041 -0.522 -0.707 1.00 0.00 C ATOM 0 H LEU A 100 2.866 1.169 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 100 5.138 -0.635 -4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.993 -2.204 -3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.861 -0.837 -2.367 1.00 0.00 H new ATOM 0 HG LEU A 100 2.391 0.261 -2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.733 -1.399 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.376 -1.790 -3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.946 -2.688 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.136 -0.223 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.406 -1.464 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.804 0.247 -0.584 1.00 0.00 H new ATOM 1317 N VAL A 101 3.571 -2.470 -5.665 1.00 0.00 N ATOM 1318 CA VAL A 101 2.778 -3.311 -6.552 1.00 0.00 C ATOM 1319 C VAL A 101 2.230 -4.505 -5.782 1.00 0.00 C ATOM 1320 O VAL A 101 2.977 -5.405 -5.399 1.00 0.00 O ATOM 1321 CB VAL A 101 3.615 -3.819 -7.742 1.00 0.00 C ATOM 1322 CG1 VAL A 101 2.742 -4.582 -8.727 1.00 0.00 C ATOM 1323 CG2 VAL A 101 4.318 -2.659 -8.431 1.00 0.00 C ATOM 0 H VAL A 101 4.439 -2.901 -5.349 1.00 0.00 H new ATOM 0 HA VAL A 101 1.958 -2.706 -6.938 1.00 0.00 H new ATOM 0 HB VAL A 101 4.374 -4.503 -7.362 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.353 -4.932 -9.559 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.289 -5.437 -8.225 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.958 -3.925 -9.103 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.905 -3.035 -9.269 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.576 -1.949 -8.797 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.978 -2.160 -7.721 1.00 0.00 H new ATOM 1333 N ILE A 102 0.923 -4.506 -5.545 1.00 0.00 N ATOM 1334 CA ILE A 102 0.283 -5.588 -4.806 1.00 0.00 C ATOM 1335 C ILE A 102 -0.405 -6.561 -5.751 1.00 0.00 C ATOM 1336 O ILE A 102 -0.564 -6.270 -6.929 1.00 0.00 O ATOM 1337 CB ILE A 102 -0.765 -5.044 -3.815 1.00 0.00 C ATOM 1338 CG1 ILE A 102 -1.861 -4.286 -4.572 1.00 0.00 C ATOM 1339 CG2 ILE A 102 -0.103 -4.145 -2.777 1.00 0.00 C ATOM 1340 CD1 ILE A 102 -2.929 -5.189 -5.155 1.00 0.00 C ATOM 0 H ILE A 102 0.287 -3.771 -5.853 1.00 0.00 H new ATOM 0 HA ILE A 102 1.069 -6.104 -4.256 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.223 -5.883 -3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.330 -3.571 -3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.404 -3.711 -5.377 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.858 -3.770 -2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.643 -4.716 -2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.380 -3.306 -3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.671 -4.585 -5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.472 -5.887 -5.856 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.413 -5.745 -4.352 1.00 0.00 H new ATOM 1352 N SER A 103 -0.822 -7.706 -5.223 1.00 0.00 N ATOM 1353 CA SER A 103 -1.509 -8.716 -6.021 1.00 0.00 C ATOM 1354 C SER A 103 -2.614 -9.382 -5.206 1.00 0.00 C ATOM 1355 O SER A 103 -2.384 -9.820 -4.078 1.00 0.00 O ATOM 1356 CB SER A 103 -0.514 -9.766 -6.529 1.00 0.00 C ATOM 1357 OG SER A 103 -0.574 -10.955 -5.758 1.00 0.00 O ATOM 0 H SER A 103 -0.696 -7.959 -4.243 1.00 0.00 H new ATOM 0 HA SER A 103 -1.963 -8.224 -6.881 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.728 -9.997 -7.573 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.496 -9.359 -6.493 1.00 0.00 H new ATOM 0 HG SER A 103 0.259 -11.459 -5.869 1.00 0.00 H new ATOM 1363 N ARG A 104 -3.814 -9.446 -5.774 1.00 0.00 N ATOM 1364 CA ARG A 104 -4.949 -10.050 -5.081 1.00 0.00 C ATOM 1365 C ARG A 104 -5.804 -10.888 -6.027 1.00 0.00 C ATOM 1366 O ARG A 104 -6.279 -10.398 -7.053 1.00 0.00 O ATOM 1367 CB ARG A 104 -5.808 -8.962 -4.440 1.00 0.00 C ATOM 1368 CG ARG A 104 -6.210 -7.861 -5.408 1.00 0.00 C ATOM 1369 CD ARG A 104 -7.259 -6.943 -4.803 1.00 0.00 C ATOM 1370 NE ARG A 104 -7.094 -5.561 -5.247 1.00 0.00 N ATOM 1371 CZ ARG A 104 -7.512 -5.106 -6.426 1.00 0.00 C ATOM 1372 NH1 ARG A 104 -8.113 -5.921 -7.284 1.00 0.00 N ATOM 1373 NH2 ARG A 104 -7.326 -3.832 -6.749 1.00 0.00 N ATOM 0 H ARG A 104 -4.026 -9.090 -6.706 1.00 0.00 H new ATOM 0 HA ARG A 104 -4.553 -10.710 -4.309 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.707 -9.417 -4.025 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -5.261 -8.521 -3.607 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.331 -7.279 -5.684 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.599 -8.305 -6.325 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.253 -7.296 -5.078 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.195 -6.985 -3.716 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.631 -4.906 -4.616 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.257 -6.901 -7.041 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.431 -5.567 -8.186 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -6.863 -3.202 -6.094 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.646 -3.483 -7.652 1.00 0.00 H new ATOM 1387 N ASN A 105 -6.005 -12.152 -5.666 1.00 0.00 N ATOM 1388 CA ASN A 105 -6.815 -13.061 -6.471 1.00 0.00 C ATOM 1389 C ASN A 105 -8.288 -12.656 -6.424 1.00 0.00 C ATOM 1390 O ASN A 105 -8.826 -12.375 -5.353 1.00 0.00 O ATOM 1391 CB ASN A 105 -6.655 -14.497 -5.970 1.00 0.00 C ATOM 1392 CG ASN A 105 -6.835 -14.608 -4.468 1.00 0.00 C ATOM 1393 OD1 ASN A 105 -7.950 -14.776 -3.976 1.00 0.00 O ATOM 1394 ND2 ASN A 105 -5.734 -14.514 -3.734 1.00 0.00 N ATOM 0 H ASN A 105 -5.618 -12.571 -4.820 1.00 0.00 H new ATOM 0 HA ASN A 105 -6.470 -13.003 -7.503 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.383 -15.136 -6.469 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.667 -14.866 -6.243 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -5.791 -14.581 -2.718 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -4.830 -14.375 -4.186 1.00 0.00 H new ATOM 1401 N PRO A 106 -8.965 -12.620 -7.587 1.00 0.00 N ATOM 1402 CA PRO A 106 -10.382 -12.247 -7.662 1.00 0.00 C ATOM 1403 C PRO A 106 -11.291 -13.295 -7.031 1.00 0.00 C ATOM 1404 O PRO A 106 -11.796 -13.045 -5.916 1.00 0.00 O ATOM 1405 CB PRO A 106 -10.645 -12.145 -9.166 1.00 0.00 C ATOM 1406 CG PRO A 106 -9.625 -13.030 -9.791 1.00 0.00 C ATOM 1407 CD PRO A 106 -8.407 -12.939 -8.915 1.00 0.00 C ATOM 1408 OXT PRO A 106 -11.490 -14.358 -7.656 1.00 0.00 O ATOM 0 HA PRO A 106 -10.590 -11.326 -7.117 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -11.656 -12.470 -9.414 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.545 -11.118 -9.516 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.985 -14.057 -9.854 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.400 -12.709 -10.808 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.850 -13.876 -8.902 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.721 -12.165 -9.259 1.00 0.00 H new