USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 695 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 71 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 95 HEM CMB :methyl -30:sc= -1.69 (180deg=-1.5) USER MOD Set 2.1: A 49 GLN : amide:sc= -6.16! C(o=-7.5!,f=-15!) USER MOD Set 2.2: A 57 ASN : amide:sc= -1.3 X(o=-7.5,f=-7.4) USER MOD Set 3.1: A 15 HIS : no HD1:sc= -10.2! C(o=-9!,f=-14!) USER MOD Set 3.2: A 20 SER OG : rot -149:sc= 1.19 USER MOD Single : A 5 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0259) USER MOD Single : A 6 TYR OH : rot 18:sc= 0.108 USER MOD Single : A 7 TYR OH : rot 165:sc= -0.711 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0167 USER MOD Single : A 13 GLN : amide:sc= -2.87 K(o=-2.9,f=-7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.183 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 40:sc= -1.27! USER MOD Single : A 26 HIS : no HD1:sc= -0.0291 X(o=-0.029,f=-0.013) USER MOD Single : A 27 HIS : no HD1:sc= -3.6! C(o=-3.6!,f=-5.4!) USER MOD Single : A 28 LYS NZ :NH3+ 153:sc= -0.0988 (180deg=-0.46) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -81:sc= 0.137 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -120:sc= -0.317 (180deg=-1.82!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -2.03 K(o=-2,f=-4.3!) USER MOD Single : A 85 SER OG : rot -19:sc= 0.583 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HEM CMA :methyl -30:sc= -0.419 (180deg=-0.752) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -0.494 (180deg=-0.583) USER MOD Single : A 95 HEM CMD :methyl -30:sc=-0.00289 (180deg=-0.686) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 14.743 13.115 -27.212 1.00 0.00 N ATOM 2 CA VAL A 4 14.421 14.121 -26.213 1.00 0.00 C ATOM 3 C VAL A 4 15.624 14.319 -25.289 1.00 0.00 C ATOM 4 O VAL A 4 16.573 13.536 -25.323 1.00 0.00 O ATOM 5 CB VAL A 4 13.150 13.722 -25.461 1.00 0.00 C ATOM 6 CG1 VAL A 4 13.481 13.201 -24.061 1.00 0.00 C ATOM 7 CG2 VAL A 4 12.164 14.890 -25.393 1.00 0.00 C ATOM 0 HA VAL A 4 14.215 15.080 -26.689 1.00 0.00 H new ATOM 0 HB VAL A 4 12.673 12.913 -26.015 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.560 12.925 -23.548 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.128 12.327 -24.141 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.992 13.980 -23.494 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.269 14.580 -24.853 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.628 15.728 -24.874 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.891 15.195 -26.403 1.00 0.00 H new ATOM 17 N LYS A 5 15.547 15.369 -24.485 1.00 0.00 N ATOM 18 CA LYS A 5 16.617 15.680 -23.555 1.00 0.00 C ATOM 19 C LYS A 5 16.308 15.043 -22.198 1.00 0.00 C ATOM 20 O LYS A 5 15.247 15.282 -21.624 1.00 0.00 O ATOM 21 CB LYS A 5 16.847 17.191 -23.487 1.00 0.00 C ATOM 22 CG LYS A 5 18.309 17.510 -23.165 1.00 0.00 C ATOM 23 CD LYS A 5 19.042 18.027 -24.405 1.00 0.00 C ATOM 24 CE LYS A 5 20.558 17.910 -24.234 1.00 0.00 C ATOM 25 NZ LYS A 5 21.028 18.802 -23.151 1.00 0.00 N ATOM 0 H LYS A 5 14.759 16.016 -24.459 1.00 0.00 H new ATOM 0 HA LYS A 5 17.558 15.254 -23.901 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.573 17.647 -24.438 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.200 17.627 -22.726 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.356 18.257 -22.372 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.806 16.615 -22.790 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.726 17.460 -25.281 1.00 0.00 H new ATOM 0 HD3 LYS A 5 18.772 19.068 -24.584 1.00 0.00 H new ATOM 0 HE2 LYS A 5 20.825 16.878 -24.005 1.00 0.00 H new ATOM 0 HE3 LYS A 5 21.056 18.169 -25.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 22.067 18.787 -23.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 20.701 19.772 -23.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.646 18.474 -22.241 1.00 0.00 H new ATOM 39 N TYR A 6 17.254 14.246 -21.725 1.00 0.00 N ATOM 40 CA TYR A 6 17.097 13.573 -20.446 1.00 0.00 C ATOM 41 C TYR A 6 17.418 14.518 -19.286 1.00 0.00 C ATOM 42 O TYR A 6 18.554 14.569 -18.819 1.00 0.00 O ATOM 43 CB TYR A 6 18.107 12.425 -20.446 1.00 0.00 C ATOM 44 CG TYR A 6 17.684 11.224 -21.295 1.00 0.00 C ATOM 45 CD1 TYR A 6 16.435 10.662 -21.123 1.00 0.00 C ATOM 46 CD2 TYR A 6 18.550 10.704 -22.234 1.00 0.00 C ATOM 47 CE1 TYR A 6 16.037 9.533 -21.923 1.00 0.00 C ATOM 48 CE2 TYR A 6 18.152 9.574 -23.034 1.00 0.00 C ATOM 49 CZ TYR A 6 16.916 9.045 -22.839 1.00 0.00 C ATOM 50 OH TYR A 6 16.539 7.977 -23.594 1.00 0.00 O ATOM 0 H TYR A 6 18.133 14.051 -22.204 1.00 0.00 H new ATOM 0 HA TYR A 6 16.071 13.227 -20.318 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.064 12.797 -20.812 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.265 12.094 -19.420 1.00 0.00 H new ATOM 0 HD1 TYR A 6 15.756 11.069 -20.388 1.00 0.00 H new ATOM 0 HD2 TYR A 6 19.527 11.144 -22.370 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.063 9.084 -21.799 1.00 0.00 H new ATOM 0 HE2 TYR A 6 18.821 9.157 -23.772 1.00 0.00 H new ATOM 0 HH TYR A 6 15.564 7.884 -23.565 1.00 0.00 H new ATOM 60 N TYR A 7 16.396 15.243 -18.855 1.00 0.00 N ATOM 61 CA TYR A 7 16.554 16.183 -17.759 1.00 0.00 C ATOM 62 C TYR A 7 16.098 15.565 -16.436 1.00 0.00 C ATOM 63 O TYR A 7 15.001 15.015 -16.349 1.00 0.00 O ATOM 64 CB TYR A 7 15.651 17.373 -18.090 1.00 0.00 C ATOM 65 CG TYR A 7 14.725 17.138 -19.284 1.00 0.00 C ATOM 66 CD1 TYR A 7 13.620 16.322 -19.150 1.00 0.00 C ATOM 67 CD2 TYR A 7 14.994 17.742 -20.495 1.00 0.00 C ATOM 68 CE1 TYR A 7 12.748 16.101 -20.274 1.00 0.00 C ATOM 69 CE2 TYR A 7 14.122 17.520 -21.619 1.00 0.00 C ATOM 70 CZ TYR A 7 13.042 16.711 -21.454 1.00 0.00 C ATOM 71 OH TYR A 7 12.218 16.503 -22.516 1.00 0.00 O ATOM 0 H TYR A 7 15.455 15.198 -19.246 1.00 0.00 H new ATOM 0 HA TYR A 7 17.600 16.470 -17.648 1.00 0.00 H new ATOM 0 HB2 TYR A 7 15.046 17.611 -17.215 1.00 0.00 H new ATOM 0 HB3 TYR A 7 16.275 18.244 -18.293 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.409 15.849 -18.202 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.858 18.381 -20.600 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.880 15.465 -20.183 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.322 17.986 -22.573 1.00 0.00 H new ATOM 0 HH TYR A 7 12.401 17.172 -23.208 1.00 0.00 H new ATOM 81 N THR A 8 16.963 15.675 -15.438 1.00 0.00 N ATOM 82 CA THR A 8 16.663 15.134 -14.124 1.00 0.00 C ATOM 83 C THR A 8 15.701 16.057 -13.373 1.00 0.00 C ATOM 84 O THR A 8 15.517 17.211 -13.756 1.00 0.00 O ATOM 85 CB THR A 8 17.987 14.911 -13.390 1.00 0.00 C ATOM 86 OG1 THR A 8 18.579 16.206 -13.340 1.00 0.00 O ATOM 87 CG2 THR A 8 18.978 14.080 -14.209 1.00 0.00 C ATOM 0 H THR A 8 17.872 16.131 -15.514 1.00 0.00 H new ATOM 0 HA THR A 8 16.151 14.175 -14.200 1.00 0.00 H new ATOM 0 HB THR A 8 17.795 14.414 -12.439 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.442 16.154 -12.878 1.00 0.00 H new ATOM 0 HG21 THR A 8 19.900 13.951 -13.643 1.00 0.00 H new ATOM 0 HG22 THR A 8 18.544 13.103 -14.423 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.196 14.593 -15.146 1.00 0.00 H new ATOM 95 N LEU A 9 15.112 15.514 -12.318 1.00 0.00 N ATOM 96 CA LEU A 9 14.173 16.274 -11.511 1.00 0.00 C ATOM 97 C LEU A 9 14.724 17.684 -11.289 1.00 0.00 C ATOM 98 O LEU A 9 13.959 18.641 -11.165 1.00 0.00 O ATOM 99 CB LEU A 9 13.855 15.527 -10.214 1.00 0.00 C ATOM 100 CG LEU A 9 12.876 14.359 -10.336 1.00 0.00 C ATOM 101 CD1 LEU A 9 13.172 13.523 -11.582 1.00 0.00 C ATOM 102 CD2 LEU A 9 12.875 13.509 -9.064 1.00 0.00 C ATOM 0 H LEU A 9 15.267 14.556 -12.003 1.00 0.00 H new ATOM 0 HA LEU A 9 13.222 16.381 -12.032 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.789 15.150 -9.797 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.450 16.241 -9.497 1.00 0.00 H new ATOM 0 HG LEU A 9 11.872 14.767 -10.452 1.00 0.00 H new ATOM 0 HD11 LEU A 9 12.461 12.699 -11.645 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.081 14.149 -12.470 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.185 13.125 -11.521 1.00 0.00 H new ATOM 0 HD21 LEU A 9 12.170 12.685 -9.177 1.00 0.00 H new ATOM 0 HD22 LEU A 9 13.875 13.110 -8.892 1.00 0.00 H new ATOM 0 HD23 LEU A 9 12.579 14.125 -8.215 1.00 0.00 H new ATOM 114 N GLU A 10 16.045 17.770 -11.247 1.00 0.00 N ATOM 115 CA GLU A 10 16.706 19.048 -11.043 1.00 0.00 C ATOM 116 C GLU A 10 16.123 20.104 -11.984 1.00 0.00 C ATOM 117 O GLU A 10 16.207 21.299 -11.710 1.00 0.00 O ATOM 118 CB GLU A 10 18.219 18.919 -11.234 1.00 0.00 C ATOM 119 CG GLU A 10 18.970 19.350 -9.973 1.00 0.00 C ATOM 120 CD GLU A 10 20.352 18.697 -9.906 1.00 0.00 C ATOM 121 OE1 GLU A 10 20.388 17.469 -9.674 1.00 0.00 O ATOM 122 OE2 GLU A 10 21.340 19.439 -10.090 1.00 0.00 O ATOM 0 H GLU A 10 16.676 16.975 -11.351 1.00 0.00 H new ATOM 0 HA GLU A 10 16.528 19.367 -10.016 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.472 17.887 -11.477 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.536 19.532 -12.078 1.00 0.00 H new ATOM 0 HG2 GLU A 10 19.076 20.435 -9.962 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.392 19.077 -9.090 1.00 0.00 H new ATOM 129 N GLU A 11 15.544 19.622 -13.075 1.00 0.00 N ATOM 130 CA GLU A 11 14.947 20.510 -14.058 1.00 0.00 C ATOM 131 C GLU A 11 13.428 20.559 -13.878 1.00 0.00 C ATOM 132 O GLU A 11 12.852 21.635 -13.729 1.00 0.00 O ATOM 133 CB GLU A 11 15.316 20.081 -15.480 1.00 0.00 C ATOM 134 CG GLU A 11 16.822 19.845 -15.608 1.00 0.00 C ATOM 135 CD GLU A 11 17.613 21.015 -15.019 1.00 0.00 C ATOM 136 OE1 GLU A 11 17.739 21.046 -13.776 1.00 0.00 O ATOM 137 OE2 GLU A 11 18.072 21.853 -15.825 1.00 0.00 O ATOM 0 H GLU A 11 15.476 18.629 -13.299 1.00 0.00 H new ATOM 0 HA GLU A 11 15.344 21.513 -13.901 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.778 19.169 -15.740 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.003 20.848 -16.188 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.094 18.923 -15.095 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.085 19.715 -16.658 1.00 0.00 H new ATOM 144 N ILE A 12 12.825 19.380 -13.894 1.00 0.00 N ATOM 145 CA ILE A 12 11.384 19.274 -13.734 1.00 0.00 C ATOM 146 C ILE A 12 10.967 19.975 -12.438 1.00 0.00 C ATOM 147 O ILE A 12 9.885 20.554 -12.362 1.00 0.00 O ATOM 148 CB ILE A 12 10.943 17.811 -13.812 1.00 0.00 C ATOM 149 CG1 ILE A 12 11.260 17.215 -15.184 1.00 0.00 C ATOM 150 CG2 ILE A 12 9.462 17.666 -13.453 1.00 0.00 C ATOM 151 CD1 ILE A 12 12.606 16.486 -15.167 1.00 0.00 C ATOM 0 H ILE A 12 13.307 18.489 -14.015 1.00 0.00 H new ATOM 0 HA ILE A 12 10.871 19.781 -14.551 1.00 0.00 H new ATOM 0 HB ILE A 12 11.511 17.243 -13.075 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.471 16.522 -15.475 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.281 18.007 -15.933 1.00 0.00 H new ATOM 0 HG21 ILE A 12 9.173 16.617 -13.516 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.297 18.028 -12.438 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.860 18.250 -14.149 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.808 16.071 -16.155 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.396 17.187 -14.900 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.574 15.679 -14.435 1.00 0.00 H new ATOM 163 N GLN A 13 11.849 19.898 -11.451 1.00 0.00 N ATOM 164 CA GLN A 13 11.585 20.517 -10.164 1.00 0.00 C ATOM 165 C GLN A 13 11.296 22.009 -10.342 1.00 0.00 C ATOM 166 O GLN A 13 10.428 22.561 -9.666 1.00 0.00 O ATOM 167 CB GLN A 13 12.754 20.297 -9.201 1.00 0.00 C ATOM 168 CG GLN A 13 12.691 18.904 -8.572 1.00 0.00 C ATOM 169 CD GLN A 13 11.438 18.748 -7.709 1.00 0.00 C ATOM 170 OE1 GLN A 13 10.346 18.500 -8.194 1.00 0.00 O ATOM 171 NE2 GLN A 13 11.654 18.905 -6.406 1.00 0.00 N ATOM 0 H GLN A 13 12.746 19.417 -11.517 1.00 0.00 H new ATOM 0 HA GLN A 13 10.704 20.045 -9.729 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.697 20.417 -9.735 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.732 21.055 -8.418 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.693 18.147 -9.356 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.579 18.735 -7.963 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.593 19.111 -6.066 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.880 18.819 -5.747 1.00 0.00 H new ATOM 180 N LYS A 14 12.038 22.619 -11.253 1.00 0.00 N ATOM 181 CA LYS A 14 11.871 24.036 -11.528 1.00 0.00 C ATOM 182 C LYS A 14 10.551 24.255 -12.271 1.00 0.00 C ATOM 183 O LYS A 14 10.128 25.393 -12.469 1.00 0.00 O ATOM 184 CB LYS A 14 13.092 24.585 -12.269 1.00 0.00 C ATOM 185 CG LYS A 14 13.076 26.115 -12.294 1.00 0.00 C ATOM 186 CD LYS A 14 13.740 26.691 -11.043 1.00 0.00 C ATOM 187 CE LYS A 14 15.078 27.350 -11.386 1.00 0.00 C ATOM 188 NZ LYS A 14 15.006 28.812 -11.167 1.00 0.00 N ATOM 0 H LYS A 14 12.757 22.158 -11.811 1.00 0.00 H new ATOM 0 HA LYS A 14 11.811 24.600 -10.597 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.004 24.235 -11.784 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.106 24.201 -13.289 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.595 26.473 -13.183 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.048 26.470 -12.360 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.078 27.423 -10.580 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.898 25.897 -10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.869 26.922 -10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.336 27.144 -12.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.922 29.244 -11.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.264 29.218 -11.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.781 29.003 -10.170 1.00 0.00 H new ATOM 202 N HIS A 15 9.938 23.147 -12.660 1.00 0.00 N ATOM 203 CA HIS A 15 8.674 23.204 -13.377 1.00 0.00 C ATOM 204 C HIS A 15 7.546 22.716 -12.466 1.00 0.00 C ATOM 205 O HIS A 15 6.708 21.919 -12.882 1.00 0.00 O ATOM 206 CB HIS A 15 8.757 22.421 -14.688 1.00 0.00 C ATOM 207 CG HIS A 15 9.855 22.890 -15.614 1.00 0.00 C ATOM 208 ND1 HIS A 15 9.740 24.023 -16.400 1.00 0.00 N ATOM 209 CD2 HIS A 15 11.088 22.367 -15.870 1.00 0.00 C ATOM 210 CE1 HIS A 15 10.859 24.166 -17.095 1.00 0.00 C ATOM 211 NE2 HIS A 15 11.693 23.138 -16.765 1.00 0.00 N ATOM 0 H HIS A 15 10.292 22.205 -12.493 1.00 0.00 H new ATOM 0 HA HIS A 15 8.453 24.236 -13.651 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.913 21.366 -14.460 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.801 22.497 -15.206 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.502 21.476 -15.421 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.073 24.957 -17.799 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.628 22.987 -17.144 1.00 0.00 H new ATOM 219 N LYS A 16 7.560 23.218 -11.239 1.00 0.00 N ATOM 220 CA LYS A 16 6.548 22.843 -10.265 1.00 0.00 C ATOM 221 C LYS A 16 5.633 24.040 -10.002 1.00 0.00 C ATOM 222 O LYS A 16 5.485 24.473 -8.860 1.00 0.00 O ATOM 223 CB LYS A 16 7.203 22.278 -9.003 1.00 0.00 C ATOM 224 CG LYS A 16 6.147 21.854 -7.981 1.00 0.00 C ATOM 225 CD LYS A 16 6.641 22.086 -6.551 1.00 0.00 C ATOM 226 CE LYS A 16 7.396 20.863 -6.027 1.00 0.00 C ATOM 227 NZ LYS A 16 8.368 21.262 -4.984 1.00 0.00 N ATOM 0 H LYS A 16 8.256 23.881 -10.897 1.00 0.00 H new ATOM 0 HA LYS A 16 5.920 22.042 -10.655 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.826 21.422 -9.264 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.860 23.028 -8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.228 22.417 -8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.905 20.800 -8.119 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.293 22.959 -6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.794 22.301 -5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.690 20.140 -5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.916 20.370 -6.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.872 20.420 -4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.052 21.935 -5.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.864 21.712 -4.193 1.00 0.00 H new ATOM 241 N ASP A 17 5.042 24.540 -11.076 1.00 0.00 N ATOM 242 CA ASP A 17 4.144 25.679 -10.975 1.00 0.00 C ATOM 243 C ASP A 17 3.203 25.689 -12.180 1.00 0.00 C ATOM 244 O ASP A 17 3.553 25.195 -13.251 1.00 0.00 O ATOM 245 CB ASP A 17 4.924 26.995 -10.973 1.00 0.00 C ATOM 246 CG ASP A 17 4.330 28.097 -10.093 1.00 0.00 C ATOM 247 OD1 ASP A 17 4.112 27.811 -8.895 1.00 0.00 O ATOM 248 OD2 ASP A 17 4.106 29.200 -10.637 1.00 0.00 O ATOM 0 H ASP A 17 5.167 24.178 -12.021 1.00 0.00 H new ATOM 0 HA ASP A 17 3.587 25.588 -10.043 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.943 26.796 -10.641 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.988 27.363 -11.997 1.00 0.00 H new ATOM 253 N SER A 18 2.025 26.258 -11.967 1.00 0.00 N ATOM 254 CA SER A 18 1.031 26.339 -13.022 1.00 0.00 C ATOM 255 C SER A 18 1.713 26.607 -14.365 1.00 0.00 C ATOM 256 O SER A 18 1.542 25.844 -15.315 1.00 0.00 O ATOM 257 CB SER A 18 0.000 27.430 -12.724 1.00 0.00 C ATOM 258 OG SER A 18 0.598 28.720 -12.633 1.00 0.00 O ATOM 0 H SER A 18 1.737 26.667 -11.078 1.00 0.00 H new ATOM 0 HA SER A 18 0.507 25.384 -13.072 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.758 27.436 -13.508 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.511 27.200 -11.789 1.00 0.00 H new ATOM 0 HG SER A 18 -0.093 29.388 -12.444 1.00 0.00 H new ATOM 264 N LYS A 19 2.473 27.692 -14.401 1.00 0.00 N ATOM 265 CA LYS A 19 3.182 28.068 -15.612 1.00 0.00 C ATOM 266 C LYS A 19 3.812 26.823 -16.238 1.00 0.00 C ATOM 267 O LYS A 19 3.629 26.560 -17.425 1.00 0.00 O ATOM 268 CB LYS A 19 4.185 29.185 -15.320 1.00 0.00 C ATOM 269 CG LYS A 19 4.942 29.588 -16.587 1.00 0.00 C ATOM 270 CD LYS A 19 4.085 30.500 -17.469 1.00 0.00 C ATOM 271 CE LYS A 19 3.431 29.708 -18.602 1.00 0.00 C ATOM 272 NZ LYS A 19 3.823 30.264 -19.917 1.00 0.00 N ATOM 0 H LYS A 19 2.613 28.322 -13.611 1.00 0.00 H new ATOM 0 HA LYS A 19 2.489 28.477 -16.347 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.662 30.051 -14.914 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.892 28.854 -14.560 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.865 30.100 -16.316 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.225 28.696 -17.146 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.315 30.979 -16.864 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.703 31.295 -17.886 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.728 28.661 -18.540 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.347 29.739 -18.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.370 29.715 -20.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.518 31.256 -19.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.856 30.212 -20.022 1.00 0.00 H new ATOM 286 N SER A 20 4.541 26.089 -15.411 1.00 0.00 N ATOM 287 CA SER A 20 5.200 24.878 -15.868 1.00 0.00 C ATOM 288 C SER A 20 5.001 23.756 -14.845 1.00 0.00 C ATOM 289 O SER A 20 5.553 23.806 -13.748 1.00 0.00 O ATOM 290 CB SER A 20 6.692 25.118 -16.107 1.00 0.00 C ATOM 291 OG SER A 20 7.111 24.643 -17.384 1.00 0.00 O ATOM 0 H SER A 20 4.690 26.310 -14.426 1.00 0.00 H new ATOM 0 HA SER A 20 4.751 24.582 -16.816 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.905 26.184 -16.029 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.269 24.620 -15.328 1.00 0.00 H new ATOM 0 HG SER A 20 8.043 24.346 -17.333 1.00 0.00 H new ATOM 297 N THR A 21 4.210 22.770 -15.243 1.00 0.00 N ATOM 298 CA THR A 21 3.930 21.639 -14.377 1.00 0.00 C ATOM 299 C THR A 21 3.894 20.341 -15.187 1.00 0.00 C ATOM 300 O THR A 21 3.051 20.181 -16.068 1.00 0.00 O ATOM 301 CB THR A 21 2.627 21.925 -13.629 1.00 0.00 C ATOM 302 OG1 THR A 21 2.972 22.962 -12.713 1.00 0.00 O ATOM 303 CG2 THR A 21 2.198 20.763 -12.731 1.00 0.00 C ATOM 0 H THR A 21 3.754 22.732 -16.155 1.00 0.00 H new ATOM 0 HA THR A 21 4.721 21.502 -13.639 1.00 0.00 H new ATOM 0 HB THR A 21 1.836 22.138 -14.348 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.572 23.600 -13.152 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.268 21.019 -12.224 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.046 19.871 -13.338 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.974 20.570 -11.990 1.00 0.00 H new ATOM 311 N TRP A 22 4.818 19.450 -14.861 1.00 0.00 N ATOM 312 CA TRP A 22 4.901 18.173 -15.547 1.00 0.00 C ATOM 313 C TRP A 22 4.754 17.064 -14.504 1.00 0.00 C ATOM 314 O TRP A 22 4.518 17.340 -13.328 1.00 0.00 O ATOM 315 CB TRP A 22 6.198 18.067 -16.353 1.00 0.00 C ATOM 316 CG TRP A 22 6.614 19.370 -17.035 1.00 0.00 C ATOM 317 CD1 TRP A 22 5.824 20.352 -17.491 1.00 0.00 C ATOM 318 CD2 TRP A 22 7.962 19.797 -17.324 1.00 0.00 C ATOM 319 NE1 TRP A 22 6.561 21.376 -18.050 1.00 0.00 N ATOM 320 CE2 TRP A 22 7.903 21.029 -17.945 1.00 0.00 C ATOM 321 CE3 TRP A 22 9.191 19.165 -17.069 1.00 0.00 C ATOM 322 CZ2 TRP A 22 9.038 21.733 -18.363 1.00 0.00 C ATOM 323 CZ3 TRP A 22 10.317 19.882 -17.492 1.00 0.00 C ATOM 324 CH2 TRP A 22 10.274 21.121 -18.119 1.00 0.00 C ATOM 0 H TRP A 22 5.516 19.588 -14.130 1.00 0.00 H new ATOM 0 HA TRP A 22 4.096 18.074 -16.275 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.000 17.744 -15.690 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.080 17.293 -17.112 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.746 20.343 -17.429 1.00 0.00 H new ATOM 0 HE1 TRP A 22 6.189 22.231 -18.464 1.00 0.00 H new ATOM 0 HE3 TRP A 22 9.262 18.202 -16.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 8.965 22.696 -18.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.287 19.441 -17.319 1.00 0.00 H new ATOM 0 HH2 TRP A 22 11.190 21.610 -18.417 1.00 0.00 H new ATOM 335 N VAL A 23 4.899 15.833 -14.969 1.00 0.00 N ATOM 336 CA VAL A 23 4.784 14.681 -14.091 1.00 0.00 C ATOM 337 C VAL A 23 5.482 13.482 -14.735 1.00 0.00 C ATOM 338 O VAL A 23 4.991 12.928 -15.718 1.00 0.00 O ATOM 339 CB VAL A 23 3.314 14.414 -13.768 1.00 0.00 C ATOM 340 CG1 VAL A 23 2.746 15.501 -12.852 1.00 0.00 C ATOM 341 CG2 VAL A 23 2.484 14.287 -15.047 1.00 0.00 C ATOM 0 H VAL A 23 5.095 15.607 -15.944 1.00 0.00 H new ATOM 0 HA VAL A 23 5.282 14.874 -13.141 1.00 0.00 H new ATOM 0 HB VAL A 23 3.257 13.464 -13.236 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.699 15.286 -12.638 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.310 15.522 -11.919 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.824 16.470 -13.345 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.442 14.097 -14.788 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.553 15.212 -15.619 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.865 13.461 -15.647 1.00 0.00 H new ATOM 351 N ILE A 24 6.616 13.116 -14.157 1.00 0.00 N ATOM 352 CA ILE A 24 7.387 11.993 -14.663 1.00 0.00 C ATOM 353 C ILE A 24 6.609 10.697 -14.423 1.00 0.00 C ATOM 354 O ILE A 24 6.584 10.181 -13.307 1.00 0.00 O ATOM 355 CB ILE A 24 8.791 11.988 -14.055 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.741 11.653 -12.563 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.508 13.314 -14.320 1.00 0.00 C ATOM 358 CD1 ILE A 24 9.457 10.333 -12.272 1.00 0.00 C ATOM 0 H ILE A 24 7.020 13.578 -13.342 1.00 0.00 H new ATOM 0 HA ILE A 24 7.532 12.085 -15.739 1.00 0.00 H new ATOM 0 HB ILE A 24 9.371 11.204 -14.542 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.205 12.456 -11.991 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.703 11.587 -12.236 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.504 13.284 -13.877 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.593 13.473 -15.395 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.938 14.131 -13.877 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.406 10.119 -11.204 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.975 9.528 -12.827 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.501 10.410 -12.577 1.00 0.00 H new ATOM 370 N LEU A 25 5.993 10.209 -15.490 1.00 0.00 N ATOM 371 CA LEU A 25 5.215 8.984 -15.409 1.00 0.00 C ATOM 372 C LEU A 25 5.789 7.957 -16.387 1.00 0.00 C ATOM 373 O LEU A 25 5.876 8.217 -17.586 1.00 0.00 O ATOM 374 CB LEU A 25 3.729 9.277 -15.627 1.00 0.00 C ATOM 375 CG LEU A 25 3.364 9.946 -16.953 1.00 0.00 C ATOM 376 CD1 LEU A 25 3.018 8.903 -18.017 1.00 0.00 C ATOM 377 CD2 LEU A 25 2.240 10.966 -16.762 1.00 0.00 C ATOM 0 H LEU A 25 6.017 10.639 -16.415 1.00 0.00 H new ATOM 0 HA LEU A 25 5.287 8.551 -14.411 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.180 8.338 -15.553 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.382 9.914 -14.814 1.00 0.00 H new ATOM 0 HG LEU A 25 4.236 10.493 -17.311 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.762 9.406 -18.950 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.876 8.251 -18.180 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.169 8.308 -17.681 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.000 11.427 -17.720 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.356 10.464 -16.369 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.562 11.735 -16.060 1.00 0.00 H new ATOM 389 N HIS A 26 6.166 6.811 -15.838 1.00 0.00 N ATOM 390 CA HIS A 26 6.729 5.743 -16.647 1.00 0.00 C ATOM 391 C HIS A 26 8.035 6.218 -17.287 1.00 0.00 C ATOM 392 O HIS A 26 8.344 5.853 -18.420 1.00 0.00 O ATOM 393 CB HIS A 26 5.711 5.247 -17.676 1.00 0.00 C ATOM 394 CG HIS A 26 4.930 4.033 -17.232 1.00 0.00 C ATOM 395 ND1 HIS A 26 3.549 4.024 -17.135 1.00 0.00 N ATOM 396 CD2 HIS A 26 5.351 2.790 -16.860 1.00 0.00 C ATOM 397 CE1 HIS A 26 3.167 2.825 -16.721 1.00 0.00 C ATOM 398 NE2 HIS A 26 4.285 2.062 -16.551 1.00 0.00 N ATOM 0 H HIS A 26 6.093 6.599 -14.843 1.00 0.00 H new ATOM 0 HA HIS A 26 6.965 4.888 -16.014 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.013 6.054 -17.899 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.233 5.011 -18.604 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.377 2.455 -16.823 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.149 2.507 -16.548 1.00 0.00 H new ATOM 0 HE2 HIS A 26 4.299 1.091 -16.238 1.00 0.00 H new ATOM 406 N HIS A 27 8.767 7.025 -16.532 1.00 0.00 N ATOM 407 CA HIS A 27 10.033 7.553 -17.011 1.00 0.00 C ATOM 408 C HIS A 27 9.775 8.573 -18.122 1.00 0.00 C ATOM 409 O HIS A 27 10.715 9.098 -18.717 1.00 0.00 O ATOM 410 CB HIS A 27 10.963 6.420 -17.449 1.00 0.00 C ATOM 411 CG HIS A 27 11.750 6.722 -18.702 1.00 0.00 C ATOM 412 ND1 HIS A 27 12.986 7.344 -18.679 1.00 0.00 N ATOM 413 CD2 HIS A 27 11.465 6.480 -20.014 1.00 0.00 C ATOM 414 CE1 HIS A 27 13.415 7.467 -19.928 1.00 0.00 C ATOM 415 NE2 HIS A 27 12.471 6.932 -20.753 1.00 0.00 N ATOM 0 H HIS A 27 8.507 7.326 -15.593 1.00 0.00 H new ATOM 0 HA HIS A 27 10.546 8.072 -16.201 1.00 0.00 H new ATOM 0 HB2 HIS A 27 11.659 6.201 -16.639 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.370 5.520 -17.612 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.572 6.002 -20.388 1.00 0.00 H new ATOM 0 HE1 HIS A 27 14.349 7.913 -20.237 1.00 0.00 H new ATOM 0 HE2 HIS A 27 12.528 6.886 -21.770 1.00 0.00 H new ATOM 423 N LYS A 28 8.498 8.822 -18.368 1.00 0.00 N ATOM 424 CA LYS A 28 8.105 9.770 -19.397 1.00 0.00 C ATOM 425 C LYS A 28 7.338 10.926 -18.754 1.00 0.00 C ATOM 426 O LYS A 28 6.205 10.752 -18.307 1.00 0.00 O ATOM 427 CB LYS A 28 7.331 9.062 -20.510 1.00 0.00 C ATOM 428 CG LYS A 28 8.203 8.013 -21.205 1.00 0.00 C ATOM 429 CD LYS A 28 7.734 6.598 -20.865 1.00 0.00 C ATOM 430 CE LYS A 28 7.007 5.962 -22.052 1.00 0.00 C ATOM 431 NZ LYS A 28 7.941 5.752 -23.180 1.00 0.00 N ATOM 0 H LYS A 28 7.721 8.384 -17.873 1.00 0.00 H new ATOM 0 HA LYS A 28 8.985 10.199 -19.876 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.444 8.584 -20.094 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.986 9.794 -21.240 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.167 8.162 -22.284 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.242 8.139 -20.900 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.591 5.984 -20.587 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.070 6.629 -20.001 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.571 5.009 -21.751 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.184 6.603 -22.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.609 4.957 -23.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.982 6.613 -23.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.889 5.538 -22.810 1.00 0.00 H new ATOM 445 N VAL A 29 7.987 12.082 -18.725 1.00 0.00 N ATOM 446 CA VAL A 29 7.379 13.267 -18.144 1.00 0.00 C ATOM 447 C VAL A 29 6.504 13.954 -19.194 1.00 0.00 C ATOM 448 O VAL A 29 6.887 14.051 -20.359 1.00 0.00 O ATOM 449 CB VAL A 29 8.463 14.185 -17.574 1.00 0.00 C ATOM 450 CG1 VAL A 29 9.560 14.444 -18.609 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.860 15.498 -17.071 1.00 0.00 C ATOM 0 H VAL A 29 8.927 12.222 -19.094 1.00 0.00 H new ATOM 0 HA VAL A 29 6.731 12.995 -17.311 1.00 0.00 H new ATOM 0 HB VAL A 29 8.919 13.679 -16.723 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.318 15.099 -18.180 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.019 13.498 -18.897 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.126 14.920 -19.488 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.651 16.132 -16.671 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.366 16.011 -17.896 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.133 15.288 -16.287 1.00 0.00 H new ATOM 461 N TYR A 30 5.346 14.414 -18.744 1.00 0.00 N ATOM 462 CA TYR A 30 4.414 15.090 -19.631 1.00 0.00 C ATOM 463 C TYR A 30 4.146 16.519 -19.157 1.00 0.00 C ATOM 464 O TYR A 30 3.913 16.752 -17.973 1.00 0.00 O ATOM 465 CB TYR A 30 3.112 14.290 -19.562 1.00 0.00 C ATOM 466 CG TYR A 30 3.188 12.919 -20.239 1.00 0.00 C ATOM 467 CD1 TYR A 30 4.156 12.014 -19.855 1.00 0.00 C ATOM 468 CD2 TYR A 30 2.287 12.589 -21.231 1.00 0.00 C ATOM 469 CE1 TYR A 30 4.227 10.723 -20.491 1.00 0.00 C ATOM 470 CE2 TYR A 30 2.359 11.298 -21.867 1.00 0.00 C ATOM 471 CZ TYR A 30 3.325 10.430 -21.465 1.00 0.00 C ATOM 472 OH TYR A 30 3.392 9.212 -22.066 1.00 0.00 O ATOM 0 H TYR A 30 5.032 14.332 -17.777 1.00 0.00 H new ATOM 0 HA TYR A 30 4.817 15.146 -20.642 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.837 14.153 -18.516 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.316 14.870 -20.028 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.860 12.273 -19.078 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.529 13.298 -21.530 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.979 10.005 -20.201 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.661 11.026 -22.645 1.00 0.00 H new ATOM 0 HH TYR A 30 2.685 9.141 -22.741 1.00 0.00 H new ATOM 482 N ASP A 31 4.187 17.441 -20.109 1.00 0.00 N ATOM 483 CA ASP A 31 3.952 18.843 -19.803 1.00 0.00 C ATOM 484 C ASP A 31 2.456 19.143 -19.931 1.00 0.00 C ATOM 485 O ASP A 31 2.020 19.732 -20.919 1.00 0.00 O ATOM 486 CB ASP A 31 4.701 19.752 -20.779 1.00 0.00 C ATOM 487 CG ASP A 31 4.401 21.245 -20.632 1.00 0.00 C ATOM 488 OD1 ASP A 31 4.393 21.710 -19.472 1.00 0.00 O ATOM 489 OD2 ASP A 31 4.187 21.887 -21.682 1.00 0.00 O ATOM 0 H ASP A 31 4.379 17.245 -21.091 1.00 0.00 H new ATOM 0 HA ASP A 31 4.306 19.032 -18.790 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.772 19.597 -20.647 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.458 19.446 -21.797 1.00 0.00 H new ATOM 494 N LEU A 32 1.713 18.725 -18.917 1.00 0.00 N ATOM 495 CA LEU A 32 0.277 18.942 -18.903 1.00 0.00 C ATOM 496 C LEU A 32 -0.016 20.358 -18.406 1.00 0.00 C ATOM 497 O LEU A 32 -1.147 20.670 -18.037 1.00 0.00 O ATOM 498 CB LEU A 32 -0.422 17.849 -18.092 1.00 0.00 C ATOM 499 CG LEU A 32 0.319 17.361 -16.845 1.00 0.00 C ATOM 500 CD1 LEU A 32 -0.665 16.926 -15.758 1.00 0.00 C ATOM 501 CD2 LEU A 32 1.312 16.252 -17.197 1.00 0.00 C ATOM 0 H LEU A 32 2.079 18.237 -18.099 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.129 18.868 -19.912 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.400 18.220 -17.787 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.595 16.994 -18.745 1.00 0.00 H new ATOM 0 HG LEU A 32 0.896 18.194 -16.442 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.113 16.584 -14.883 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.297 17.770 -15.481 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.287 16.114 -16.134 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.825 15.923 -16.293 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.777 15.411 -17.637 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.043 16.631 -17.912 1.00 0.00 H new ATOM 513 N THR A 33 1.024 21.180 -18.412 1.00 0.00 N ATOM 514 CA THR A 33 0.893 22.557 -17.967 1.00 0.00 C ATOM 515 C THR A 33 -0.043 23.332 -18.897 1.00 0.00 C ATOM 516 O THR A 33 -0.587 24.366 -18.515 1.00 0.00 O ATOM 517 CB THR A 33 2.295 23.160 -17.875 1.00 0.00 C ATOM 518 OG1 THR A 33 2.263 23.936 -16.680 1.00 0.00 O ATOM 519 CG2 THR A 33 2.565 24.185 -18.979 1.00 0.00 C ATOM 0 H THR A 33 1.961 20.918 -18.718 1.00 0.00 H new ATOM 0 HA THR A 33 0.435 22.611 -16.979 1.00 0.00 H new ATOM 0 HB THR A 33 3.037 22.363 -17.930 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.836 24.799 -16.862 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.574 24.582 -18.868 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.470 23.705 -19.953 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.844 24.999 -18.904 1.00 0.00 H new ATOM 527 N LYS A 34 -0.201 22.801 -20.101 1.00 0.00 N ATOM 528 CA LYS A 34 -1.061 23.430 -21.089 1.00 0.00 C ATOM 529 C LYS A 34 -2.480 22.876 -20.949 1.00 0.00 C ATOM 530 O LYS A 34 -3.437 23.639 -20.821 1.00 0.00 O ATOM 531 CB LYS A 34 -0.472 23.267 -22.492 1.00 0.00 C ATOM 532 CG LYS A 34 -1.065 24.295 -23.458 1.00 0.00 C ATOM 533 CD LYS A 34 -0.029 25.353 -23.838 1.00 0.00 C ATOM 534 CE LYS A 34 -0.677 26.732 -23.975 1.00 0.00 C ATOM 535 NZ LYS A 34 0.334 27.744 -24.357 1.00 0.00 N ATOM 0 H LYS A 34 0.252 21.942 -20.414 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.120 24.505 -20.916 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.611 23.383 -22.451 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.671 22.260 -22.859 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.422 23.791 -24.356 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.928 24.775 -22.998 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.754 25.389 -23.080 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.449 25.077 -24.778 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.466 26.696 -24.726 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.146 27.015 -23.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.122 28.674 -24.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.073 27.789 -23.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.762 27.480 -25.267 1.00 0.00 H new ATOM 549 N PHE A 35 -2.571 21.555 -20.979 1.00 0.00 N ATOM 550 CA PHE A 35 -3.858 20.891 -20.858 1.00 0.00 C ATOM 551 C PHE A 35 -4.236 20.695 -19.389 1.00 0.00 C ATOM 552 O PHE A 35 -5.174 19.962 -19.078 1.00 0.00 O ATOM 553 CB PHE A 35 -3.720 19.521 -21.525 1.00 0.00 C ATOM 554 CG PHE A 35 -4.066 18.346 -20.609 1.00 0.00 C ATOM 555 CD1 PHE A 35 -3.186 17.947 -19.652 1.00 0.00 C ATOM 556 CD2 PHE A 35 -5.254 17.699 -20.752 1.00 0.00 C ATOM 557 CE1 PHE A 35 -3.507 16.856 -18.802 1.00 0.00 C ATOM 558 CE2 PHE A 35 -5.576 16.608 -19.902 1.00 0.00 C ATOM 559 CZ PHE A 35 -4.696 16.209 -18.945 1.00 0.00 C ATOM 0 H PHE A 35 -1.775 20.926 -21.085 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.634 21.495 -21.328 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.367 19.488 -22.401 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.696 19.403 -21.880 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.243 18.460 -19.539 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.953 18.015 -21.512 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.808 16.540 -18.042 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.520 16.095 -20.016 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.940 15.379 -18.299 1.00 0.00 H new ATOM 569 N LEU A 36 -3.488 21.361 -18.523 1.00 0.00 N ATOM 570 CA LEU A 36 -3.732 21.269 -17.094 1.00 0.00 C ATOM 571 C LEU A 36 -5.180 21.669 -16.802 1.00 0.00 C ATOM 572 O LEU A 36 -5.858 21.024 -16.004 1.00 0.00 O ATOM 573 CB LEU A 36 -2.699 22.089 -16.319 1.00 0.00 C ATOM 574 CG LEU A 36 -2.101 21.416 -15.081 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.577 21.544 -15.071 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.731 21.967 -13.800 1.00 0.00 C ATOM 0 H LEU A 36 -2.711 21.968 -18.784 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.609 20.241 -16.752 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.885 22.346 -16.997 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.165 23.025 -16.010 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.335 20.352 -15.123 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.177 21.058 -14.181 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.166 21.067 -15.961 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.300 22.598 -15.064 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.289 21.472 -12.935 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.549 23.040 -13.737 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.805 21.782 -13.814 1.00 0.00 H new ATOM 588 N GLU A 37 -5.611 22.732 -17.464 1.00 0.00 N ATOM 589 CA GLU A 37 -6.965 23.227 -17.287 1.00 0.00 C ATOM 590 C GLU A 37 -7.951 22.380 -18.096 1.00 0.00 C ATOM 591 O GLU A 37 -9.140 22.340 -17.786 1.00 0.00 O ATOM 592 CB GLU A 37 -7.065 24.704 -17.674 1.00 0.00 C ATOM 593 CG GLU A 37 -8.144 25.414 -16.853 1.00 0.00 C ATOM 594 CD GLU A 37 -8.902 26.432 -17.709 1.00 0.00 C ATOM 595 OE1 GLU A 37 -8.225 27.325 -18.261 1.00 0.00 O ATOM 596 OE2 GLU A 37 -10.142 26.293 -17.790 1.00 0.00 O ATOM 0 H GLU A 37 -5.046 23.265 -18.125 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.225 23.144 -16.232 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.103 25.191 -17.515 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.295 24.791 -18.736 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.842 24.680 -16.451 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.686 25.918 -16.002 1.00 0.00 H new ATOM 603 N GLU A 38 -7.418 21.723 -19.116 1.00 0.00 N ATOM 604 CA GLU A 38 -8.235 20.879 -19.971 1.00 0.00 C ATOM 605 C GLU A 38 -8.435 19.506 -19.326 1.00 0.00 C ATOM 606 O GLU A 38 -9.166 18.669 -19.855 1.00 0.00 O ATOM 607 CB GLU A 38 -7.616 20.746 -21.363 1.00 0.00 C ATOM 608 CG GLU A 38 -8.102 21.865 -22.288 1.00 0.00 C ATOM 609 CD GLU A 38 -7.046 22.200 -23.345 1.00 0.00 C ATOM 610 OE1 GLU A 38 -6.121 22.967 -23.000 1.00 0.00 O ATOM 611 OE2 GLU A 38 -7.189 21.681 -24.473 1.00 0.00 O ATOM 0 H GLU A 38 -6.431 21.758 -19.369 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.211 21.350 -20.087 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.529 20.779 -21.286 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.876 19.777 -21.790 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.028 21.561 -22.777 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.329 22.755 -21.701 1.00 0.00 H new ATOM 618 N HIS A 39 -7.773 19.317 -18.195 1.00 0.00 N ATOM 619 CA HIS A 39 -7.868 18.059 -17.473 1.00 0.00 C ATOM 620 C HIS A 39 -9.038 18.119 -16.489 1.00 0.00 C ATOM 621 O HIS A 39 -9.176 19.086 -15.740 1.00 0.00 O ATOM 622 CB HIS A 39 -6.540 17.719 -16.794 1.00 0.00 C ATOM 623 CG HIS A 39 -6.506 16.349 -16.162 1.00 0.00 C ATOM 624 ND1 HIS A 39 -6.338 16.156 -14.802 1.00 0.00 N ATOM 625 CD2 HIS A 39 -6.621 15.108 -16.717 1.00 0.00 C ATOM 626 CE1 HIS A 39 -6.352 14.853 -14.560 1.00 0.00 C ATOM 627 NE2 HIS A 39 -6.526 14.206 -15.748 1.00 0.00 N ATOM 0 H HIS A 39 -7.168 20.014 -17.760 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.068 17.249 -18.174 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.739 17.788 -17.530 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.334 18.466 -16.028 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -6.223 16.891 -14.105 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.765 14.896 -17.766 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.245 14.386 -13.592 1.00 0.00 H new ATOM 635 N PRO A 40 -9.873 17.046 -16.524 1.00 0.00 N ATOM 636 CA PRO A 40 -11.028 16.968 -15.644 1.00 0.00 C ATOM 637 C PRO A 40 -10.604 16.637 -14.212 1.00 0.00 C ATOM 638 O PRO A 40 -11.422 16.676 -13.294 1.00 0.00 O ATOM 639 CB PRO A 40 -11.921 15.905 -16.261 1.00 0.00 C ATOM 640 CG PRO A 40 -11.029 15.102 -17.194 1.00 0.00 C ATOM 641 CD PRO A 40 -9.742 15.884 -17.397 1.00 0.00 C ATOM 0 HA PRO A 40 -11.560 17.916 -15.561 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.357 15.267 -15.492 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.749 16.359 -16.806 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.817 14.121 -16.768 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.528 14.934 -18.148 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.870 15.286 -17.133 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.620 16.183 -18.438 1.00 0.00 H new ATOM 649 N GLY A 41 -9.327 16.319 -14.065 1.00 0.00 N ATOM 650 CA GLY A 41 -8.784 15.980 -12.760 1.00 0.00 C ATOM 651 C GLY A 41 -8.869 17.172 -11.806 1.00 0.00 C ATOM 652 O GLY A 41 -9.778 17.249 -10.980 1.00 0.00 O ATOM 0 H GLY A 41 -8.651 16.289 -14.829 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.332 15.135 -12.342 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.745 15.666 -12.864 1.00 0.00 H new ATOM 656 N GLY A 42 -7.909 18.075 -11.950 1.00 0.00 N ATOM 657 CA GLY A 42 -7.863 19.260 -11.112 1.00 0.00 C ATOM 658 C GLY A 42 -6.756 20.211 -11.566 1.00 0.00 C ATOM 659 O GLY A 42 -6.195 20.045 -12.649 1.00 0.00 O ATOM 0 H GLY A 42 -7.157 18.009 -12.636 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.824 19.772 -11.148 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.695 18.970 -10.075 1.00 0.00 H new ATOM 663 N GLU A 43 -6.473 21.188 -10.717 1.00 0.00 N ATOM 664 CA GLU A 43 -5.442 22.166 -11.018 1.00 0.00 C ATOM 665 C GLU A 43 -4.375 22.170 -9.921 1.00 0.00 C ATOM 666 O GLU A 43 -3.309 22.760 -10.088 1.00 0.00 O ATOM 667 CB GLU A 43 -6.045 23.561 -11.201 1.00 0.00 C ATOM 668 CG GLU A 43 -5.007 24.649 -10.919 1.00 0.00 C ATOM 669 CD GLU A 43 -5.631 26.042 -11.024 1.00 0.00 C ATOM 670 OE1 GLU A 43 -5.795 26.505 -12.173 1.00 0.00 O ATOM 671 OE2 GLU A 43 -5.929 26.612 -9.951 1.00 0.00 O ATOM 0 H GLU A 43 -6.940 21.323 -9.820 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.967 21.885 -11.958 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.421 23.668 -12.218 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.896 23.684 -10.532 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.589 24.508 -9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.182 24.562 -11.626 1.00 0.00 H new ATOM 678 N GLU A 44 -4.701 21.506 -8.822 1.00 0.00 N ATOM 679 CA GLU A 44 -3.786 21.424 -7.696 1.00 0.00 C ATOM 680 C GLU A 44 -3.404 19.967 -7.426 1.00 0.00 C ATOM 681 O GLU A 44 -2.599 19.687 -6.540 1.00 0.00 O ATOM 682 CB GLU A 44 -4.390 22.073 -6.450 1.00 0.00 C ATOM 683 CG GLU A 44 -3.882 21.393 -5.177 1.00 0.00 C ATOM 684 CD GLU A 44 -4.410 22.102 -3.928 1.00 0.00 C ATOM 685 OE1 GLU A 44 -5.623 21.956 -3.662 1.00 0.00 O ATOM 686 OE2 GLU A 44 -3.589 22.775 -3.269 1.00 0.00 O ATOM 0 H GLU A 44 -5.587 21.019 -8.687 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.880 21.975 -7.949 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.135 23.132 -6.427 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.477 22.008 -6.492 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.197 20.349 -5.168 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.792 21.397 -5.168 1.00 0.00 H new ATOM 693 N VAL A 45 -4.001 19.078 -8.206 1.00 0.00 N ATOM 694 CA VAL A 45 -3.734 17.658 -8.063 1.00 0.00 C ATOM 695 C VAL A 45 -2.734 17.219 -9.135 1.00 0.00 C ATOM 696 O VAL A 45 -1.946 16.301 -8.915 1.00 0.00 O ATOM 697 CB VAL A 45 -5.046 16.870 -8.112 1.00 0.00 C ATOM 698 CG1 VAL A 45 -6.122 17.646 -8.875 1.00 0.00 C ATOM 699 CG2 VAL A 45 -4.832 15.484 -8.722 1.00 0.00 C ATOM 0 H VAL A 45 -4.669 19.314 -8.940 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.282 17.452 -7.093 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.393 16.733 -7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.044 17.065 -8.896 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.305 18.599 -8.378 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.785 17.828 -9.895 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.780 14.946 -8.745 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.450 15.588 -9.737 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.114 14.928 -8.119 1.00 0.00 H new ATOM 709 N LEU A 46 -2.800 17.896 -10.271 1.00 0.00 N ATOM 710 CA LEU A 46 -1.911 17.588 -11.378 1.00 0.00 C ATOM 711 C LEU A 46 -0.505 18.101 -11.055 1.00 0.00 C ATOM 712 O LEU A 46 0.487 17.468 -11.411 1.00 0.00 O ATOM 713 CB LEU A 46 -2.479 18.134 -12.690 1.00 0.00 C ATOM 714 CG LEU A 46 -4.003 18.143 -12.809 1.00 0.00 C ATOM 715 CD1 LEU A 46 -4.443 18.617 -14.196 1.00 0.00 C ATOM 716 CD2 LEU A 46 -4.589 16.772 -12.461 1.00 0.00 C ATOM 0 H LEU A 46 -3.455 18.657 -10.449 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.834 16.510 -11.516 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.118 19.154 -12.822 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.074 17.543 -13.512 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.397 18.856 -12.085 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.531 18.614 -14.253 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.074 19.628 -14.369 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.038 17.948 -14.955 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.675 16.806 -12.554 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.190 16.022 -13.144 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.320 16.511 -11.437 1.00 0.00 H new ATOM 728 N ARG A 47 -0.467 19.244 -10.387 1.00 0.00 N ATOM 729 CA ARG A 47 0.800 19.849 -10.012 1.00 0.00 C ATOM 730 C ARG A 47 1.281 19.288 -8.673 1.00 0.00 C ATOM 731 O ARG A 47 2.481 19.262 -8.402 1.00 0.00 O ATOM 732 CB ARG A 47 0.673 21.370 -9.903 1.00 0.00 C ATOM 733 CG ARG A 47 -0.605 21.762 -9.158 1.00 0.00 C ATOM 734 CD ARG A 47 -0.523 23.201 -8.647 1.00 0.00 C ATOM 735 NE ARG A 47 0.307 23.259 -7.423 1.00 0.00 N ATOM 736 CZ ARG A 47 0.923 24.364 -6.983 1.00 0.00 C ATOM 737 NH1 ARG A 47 0.806 25.512 -7.665 1.00 0.00 N ATOM 738 NH2 ARG A 47 1.655 24.322 -5.862 1.00 0.00 N ATOM 0 H ARG A 47 -1.293 19.767 -10.096 1.00 0.00 H new ATOM 0 HA ARG A 47 1.524 19.610 -10.791 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.541 21.774 -9.382 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.666 21.810 -10.900 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.464 21.656 -9.821 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.764 21.083 -8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.096 23.845 -9.416 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.524 23.578 -8.435 1.00 0.00 H new ATOM 0 HE ARG A 47 0.417 22.403 -6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.248 25.544 -8.518 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.275 26.354 -7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.743 23.448 -5.343 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.124 25.164 -5.527 1.00 0.00 H new ATOM 752 N GLU A 48 0.321 18.852 -7.870 1.00 0.00 N ATOM 753 CA GLU A 48 0.632 18.292 -6.567 1.00 0.00 C ATOM 754 C GLU A 48 1.703 17.209 -6.696 1.00 0.00 C ATOM 755 O GLU A 48 2.384 16.884 -5.723 1.00 0.00 O ATOM 756 CB GLU A 48 -0.626 17.741 -5.893 1.00 0.00 C ATOM 757 CG GLU A 48 -0.892 18.451 -4.563 1.00 0.00 C ATOM 758 CD GLU A 48 0.313 18.332 -3.627 1.00 0.00 C ATOM 759 OE1 GLU A 48 0.343 17.344 -2.862 1.00 0.00 O ATOM 760 OE2 GLU A 48 1.179 19.231 -3.700 1.00 0.00 O ATOM 0 H GLU A 48 -0.673 18.876 -8.098 1.00 0.00 H new ATOM 0 HA GLU A 48 1.024 19.089 -5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.483 17.868 -6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.512 16.671 -5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.112 19.503 -4.746 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.772 18.019 -4.086 1.00 0.00 H new ATOM 767 N GLN A 49 1.823 16.679 -7.905 1.00 0.00 N ATOM 768 CA GLN A 49 2.800 15.639 -8.173 1.00 0.00 C ATOM 769 C GLN A 49 3.770 16.092 -9.268 1.00 0.00 C ATOM 770 O GLN A 49 4.322 15.266 -9.994 1.00 0.00 O ATOM 771 CB GLN A 49 2.113 14.327 -8.559 1.00 0.00 C ATOM 772 CG GLN A 49 0.784 14.166 -7.818 1.00 0.00 C ATOM 773 CD GLN A 49 0.148 12.808 -8.123 1.00 0.00 C ATOM 774 OE1 GLN A 49 0.339 11.832 -7.418 1.00 0.00 O ATOM 775 NE2 GLN A 49 -0.618 12.802 -9.210 1.00 0.00 N ATOM 0 H GLN A 49 1.259 16.951 -8.710 1.00 0.00 H new ATOM 0 HA GLN A 49 3.369 15.459 -7.261 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.939 14.306 -9.635 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.768 13.487 -8.326 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.948 14.262 -6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.102 14.965 -8.109 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.735 13.656 -9.756 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.088 11.944 -9.498 1.00 0.00 H new ATOM 784 N ALA A 50 3.947 17.402 -9.351 1.00 0.00 N ATOM 785 CA ALA A 50 4.840 17.974 -10.345 1.00 0.00 C ATOM 786 C ALA A 50 6.245 18.097 -9.750 1.00 0.00 C ATOM 787 O ALA A 50 6.788 19.197 -9.653 1.00 0.00 O ATOM 788 CB ALA A 50 4.286 19.320 -10.814 1.00 0.00 C ATOM 0 H ALA A 50 3.488 18.084 -8.747 1.00 0.00 H new ATOM 0 HA ALA A 50 4.907 17.327 -11.219 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.956 19.749 -11.559 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.299 19.174 -11.254 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.208 19.997 -9.964 1.00 0.00 H new ATOM 794 N GLY A 51 6.794 16.953 -9.368 1.00 0.00 N ATOM 795 CA GLY A 51 8.124 16.920 -8.786 1.00 0.00 C ATOM 796 C GLY A 51 8.629 15.481 -8.656 1.00 0.00 C ATOM 797 O GLY A 51 9.814 15.215 -8.850 1.00 0.00 O ATOM 0 H GLY A 51 6.342 16.043 -9.450 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.811 17.496 -9.406 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.107 17.394 -7.804 1.00 0.00 H new ATOM 801 N GLY A 52 7.704 14.591 -8.326 1.00 0.00 N ATOM 802 CA GLY A 52 8.041 13.186 -8.167 1.00 0.00 C ATOM 803 C GLY A 52 7.394 12.341 -9.266 1.00 0.00 C ATOM 804 O GLY A 52 7.414 12.716 -10.437 1.00 0.00 O ATOM 0 H GLY A 52 6.722 14.815 -8.164 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.123 13.062 -8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.707 12.836 -7.190 1.00 0.00 H new ATOM 808 N ASP A 53 6.836 11.213 -8.850 1.00 0.00 N ATOM 809 CA ASP A 53 6.185 10.310 -9.784 1.00 0.00 C ATOM 810 C ASP A 53 4.674 10.345 -9.550 1.00 0.00 C ATOM 811 O ASP A 53 4.204 10.036 -8.456 1.00 0.00 O ATOM 812 CB ASP A 53 6.663 8.871 -9.583 1.00 0.00 C ATOM 813 CG ASP A 53 6.474 8.319 -8.168 1.00 0.00 C ATOM 814 OD1 ASP A 53 6.954 8.988 -7.228 1.00 0.00 O ATOM 815 OD2 ASP A 53 5.852 7.239 -8.058 1.00 0.00 O ATOM 0 H ASP A 53 6.821 10.904 -7.878 1.00 0.00 H new ATOM 0 HA ASP A 53 6.433 10.633 -10.795 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.131 8.226 -10.283 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.721 8.816 -9.840 1.00 0.00 H new ATOM 820 N ALA A 54 3.954 10.722 -10.595 1.00 0.00 N ATOM 821 CA ALA A 54 2.505 10.801 -10.518 1.00 0.00 C ATOM 822 C ALA A 54 1.897 9.534 -11.123 1.00 0.00 C ATOM 823 O ALA A 54 0.712 9.260 -10.937 1.00 0.00 O ATOM 824 CB ALA A 54 2.024 12.072 -11.221 1.00 0.00 C ATOM 0 H ALA A 54 4.347 10.977 -11.501 1.00 0.00 H new ATOM 0 HA ALA A 54 2.179 10.860 -9.480 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.937 12.131 -11.163 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.461 12.944 -10.735 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.331 12.048 -12.267 1.00 0.00 H new ATOM 830 N THR A 55 2.735 8.796 -11.836 1.00 0.00 N ATOM 831 CA THR A 55 2.294 7.565 -12.470 1.00 0.00 C ATOM 832 C THR A 55 1.548 6.684 -11.465 1.00 0.00 C ATOM 833 O THR A 55 0.678 5.904 -11.844 1.00 0.00 O ATOM 834 CB THR A 55 3.519 6.883 -13.082 1.00 0.00 C ATOM 835 OG1 THR A 55 3.105 5.534 -13.279 1.00 0.00 O ATOM 836 CG2 THR A 55 4.684 6.776 -12.096 1.00 0.00 C ATOM 0 H THR A 55 3.717 9.027 -11.989 1.00 0.00 H new ATOM 0 HA THR A 55 1.582 7.766 -13.270 1.00 0.00 H new ATOM 0 HB THR A 55 3.840 7.438 -13.963 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.840 5.021 -13.675 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.527 6.284 -12.581 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.982 7.774 -11.775 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.374 6.193 -11.229 1.00 0.00 H new ATOM 844 N GLU A 56 1.919 6.840 -10.202 1.00 0.00 N ATOM 845 CA GLU A 56 1.297 6.070 -9.139 1.00 0.00 C ATOM 846 C GLU A 56 -0.139 6.546 -8.908 1.00 0.00 C ATOM 847 O GLU A 56 -1.043 5.734 -8.720 1.00 0.00 O ATOM 848 CB GLU A 56 2.116 6.152 -7.850 1.00 0.00 C ATOM 849 CG GLU A 56 2.633 7.573 -7.619 1.00 0.00 C ATOM 850 CD GLU A 56 2.894 7.827 -6.133 1.00 0.00 C ATOM 851 OE1 GLU A 56 3.854 7.219 -5.614 1.00 0.00 O ATOM 852 OE2 GLU A 56 2.127 8.624 -5.550 1.00 0.00 O ATOM 0 H GLU A 56 2.643 7.488 -9.892 1.00 0.00 H new ATOM 0 HA GLU A 56 1.267 5.024 -9.445 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.502 5.843 -7.004 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.956 5.460 -7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.552 7.726 -8.185 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.905 8.294 -7.992 1.00 0.00 H new ATOM 859 N ASN A 57 -0.303 7.860 -8.931 1.00 0.00 N ATOM 860 CA ASN A 57 -1.612 8.455 -8.727 1.00 0.00 C ATOM 861 C ASN A 57 -2.369 8.481 -10.056 1.00 0.00 C ATOM 862 O ASN A 57 -3.587 8.313 -10.085 1.00 0.00 O ATOM 863 CB ASN A 57 -1.491 9.895 -8.223 1.00 0.00 C ATOM 864 CG ASN A 57 -1.493 9.942 -6.694 1.00 0.00 C ATOM 865 OD1 ASN A 57 -0.706 9.293 -6.026 1.00 0.00 O ATOM 866 ND2 ASN A 57 -2.419 10.747 -6.179 1.00 0.00 N ATOM 0 H ASN A 57 0.450 8.530 -9.088 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.142 7.857 -7.985 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.572 10.341 -8.603 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.318 10.490 -8.610 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.501 10.849 -5.167 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.047 11.262 -6.796 1.00 0.00 H new ATOM 873 N PHE A 58 -1.616 8.694 -11.126 1.00 0.00 N ATOM 874 CA PHE A 58 -2.200 8.745 -12.455 1.00 0.00 C ATOM 875 C PHE A 58 -2.762 7.380 -12.859 1.00 0.00 C ATOM 876 O PHE A 58 -3.826 7.300 -13.471 1.00 0.00 O ATOM 877 CB PHE A 58 -1.078 9.127 -13.423 1.00 0.00 C ATOM 878 CG PHE A 58 -1.441 8.948 -14.898 1.00 0.00 C ATOM 879 CD1 PHE A 58 -1.612 7.699 -15.409 1.00 0.00 C ATOM 880 CD2 PHE A 58 -1.592 10.037 -15.698 1.00 0.00 C ATOM 881 CE1 PHE A 58 -1.947 7.533 -16.778 1.00 0.00 C ATOM 882 CE2 PHE A 58 -1.928 9.870 -17.068 1.00 0.00 C ATOM 883 CZ PHE A 58 -2.099 8.621 -17.579 1.00 0.00 C ATOM 0 H PHE A 58 -0.606 8.833 -11.099 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.017 9.466 -12.475 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.802 10.167 -13.251 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.198 8.523 -13.200 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.493 6.834 -14.773 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.457 11.029 -15.292 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.081 6.541 -17.184 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.048 10.735 -17.704 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.355 8.494 -18.620 1.00 0.00 H new ATOM 893 N GLU A 59 -2.024 6.342 -12.499 1.00 0.00 N ATOM 894 CA GLU A 59 -2.435 4.985 -12.817 1.00 0.00 C ATOM 895 C GLU A 59 -3.511 4.513 -11.837 1.00 0.00 C ATOM 896 O GLU A 59 -4.273 3.597 -12.139 1.00 0.00 O ATOM 897 CB GLU A 59 -1.237 4.033 -12.814 1.00 0.00 C ATOM 898 CG GLU A 59 -0.763 3.751 -11.388 1.00 0.00 C ATOM 899 CD GLU A 59 -1.635 2.685 -10.721 1.00 0.00 C ATOM 900 OE1 GLU A 59 -1.972 1.707 -11.423 1.00 0.00 O ATOM 901 OE2 GLU A 59 -1.945 2.872 -9.525 1.00 0.00 O ATOM 0 H GLU A 59 -1.143 6.412 -11.990 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.858 4.981 -13.822 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.511 3.097 -13.302 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.422 4.467 -13.393 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.275 3.418 -11.405 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.794 4.670 -10.802 1.00 0.00 H new ATOM 908 N ASP A 60 -3.538 5.161 -10.680 1.00 0.00 N ATOM 909 CA ASP A 60 -4.506 4.820 -9.653 1.00 0.00 C ATOM 910 C ASP A 60 -5.919 5.048 -10.195 1.00 0.00 C ATOM 911 O ASP A 60 -6.741 4.133 -10.202 1.00 0.00 O ATOM 912 CB ASP A 60 -4.328 5.697 -8.414 1.00 0.00 C ATOM 913 CG ASP A 60 -5.572 5.833 -7.532 1.00 0.00 C ATOM 914 OD1 ASP A 60 -6.403 6.710 -7.855 1.00 0.00 O ATOM 915 OD2 ASP A 60 -5.663 5.058 -6.556 1.00 0.00 O ATOM 0 H ASP A 60 -2.904 5.921 -10.432 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.353 3.776 -9.380 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.517 5.288 -7.811 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.017 6.692 -8.733 1.00 0.00 H new ATOM 920 N VAL A 61 -6.158 6.274 -10.637 1.00 0.00 N ATOM 921 CA VAL A 61 -7.456 6.635 -11.180 1.00 0.00 C ATOM 922 C VAL A 61 -7.763 5.750 -12.390 1.00 0.00 C ATOM 923 O VAL A 61 -8.910 5.660 -12.823 1.00 0.00 O ATOM 924 CB VAL A 61 -7.490 8.129 -11.507 1.00 0.00 C ATOM 925 CG1 VAL A 61 -6.163 8.586 -12.116 1.00 0.00 C ATOM 926 CG2 VAL A 61 -8.662 8.460 -12.433 1.00 0.00 C ATOM 0 H VAL A 61 -5.474 7.030 -10.630 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.240 6.460 -10.443 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.636 8.674 -10.574 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.213 9.652 -12.339 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.355 8.401 -11.408 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.974 8.031 -13.035 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.664 9.528 -12.650 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.560 7.901 -13.363 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.598 8.187 -11.946 1.00 0.00 H new ATOM 936 N GLY A 62 -6.715 5.119 -12.902 1.00 0.00 N ATOM 937 CA GLY A 62 -6.857 4.245 -14.053 1.00 0.00 C ATOM 938 C GLY A 62 -7.284 5.034 -15.292 1.00 0.00 C ATOM 939 O GLY A 62 -8.462 5.055 -15.645 1.00 0.00 O ATOM 0 H GLY A 62 -5.765 5.196 -12.540 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.912 3.738 -14.248 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.595 3.472 -13.838 1.00 0.00 H new ATOM 943 N HIS A 63 -6.303 5.666 -15.919 1.00 0.00 N ATOM 944 CA HIS A 63 -6.561 6.455 -17.110 1.00 0.00 C ATOM 945 C HIS A 63 -6.921 5.528 -18.273 1.00 0.00 C ATOM 946 O HIS A 63 -6.323 4.464 -18.431 1.00 0.00 O ATOM 947 CB HIS A 63 -5.375 7.369 -17.426 1.00 0.00 C ATOM 948 CG HIS A 63 -5.310 8.609 -16.568 1.00 0.00 C ATOM 949 ND1 HIS A 63 -4.825 8.600 -15.272 1.00 0.00 N ATOM 950 CD2 HIS A 63 -5.672 9.897 -16.835 1.00 0.00 C ATOM 951 CE1 HIS A 63 -4.897 9.832 -14.789 1.00 0.00 C ATOM 952 NE2 HIS A 63 -5.423 10.634 -15.758 1.00 0.00 N ATOM 0 H HIS A 63 -5.327 5.647 -15.624 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.414 7.111 -16.936 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.451 6.804 -17.301 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.428 7.667 -18.473 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -4.472 7.783 -14.773 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.090 10.256 -17.764 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.593 10.146 -13.801 1.00 0.00 H new ATOM 960 N SER A 64 -7.896 5.963 -19.057 1.00 0.00 N ATOM 961 CA SER A 64 -8.342 5.185 -20.199 1.00 0.00 C ATOM 962 C SER A 64 -7.150 4.838 -21.093 1.00 0.00 C ATOM 963 O SER A 64 -6.064 5.390 -20.928 1.00 0.00 O ATOM 964 CB SER A 64 -9.404 5.942 -21.000 1.00 0.00 C ATOM 965 OG SER A 64 -10.722 5.498 -20.692 1.00 0.00 O ATOM 0 H SER A 64 -8.390 6.845 -18.923 1.00 0.00 H new ATOM 0 HA SER A 64 -8.792 4.263 -19.831 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.323 7.009 -20.792 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.217 5.810 -22.066 1.00 0.00 H new ATOM 0 HG SER A 64 -11.371 6.006 -21.222 1.00 0.00 H new ATOM 971 N THR A 65 -7.394 3.924 -22.022 1.00 0.00 N ATOM 972 CA THR A 65 -6.354 3.497 -22.943 1.00 0.00 C ATOM 973 C THR A 65 -6.125 4.560 -24.019 1.00 0.00 C ATOM 974 O THR A 65 -5.102 4.546 -24.703 1.00 0.00 O ATOM 975 CB THR A 65 -6.757 2.134 -23.510 1.00 0.00 C ATOM 976 OG1 THR A 65 -7.826 2.432 -24.404 1.00 0.00 O ATOM 977 CG2 THR A 65 -7.393 1.226 -22.457 1.00 0.00 C ATOM 0 H THR A 65 -8.296 3.468 -22.156 1.00 0.00 H new ATOM 0 HA THR A 65 -5.396 3.384 -22.435 1.00 0.00 H new ATOM 0 HB THR A 65 -5.880 1.642 -23.930 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.147 1.604 -24.818 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.660 0.272 -22.912 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.684 1.056 -21.647 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.290 1.702 -22.060 1.00 0.00 H new ATOM 985 N ASP A 66 -7.093 5.457 -24.136 1.00 0.00 N ATOM 986 CA ASP A 66 -7.009 6.525 -25.117 1.00 0.00 C ATOM 987 C ASP A 66 -6.307 7.732 -24.492 1.00 0.00 C ATOM 988 O ASP A 66 -6.258 8.805 -25.091 1.00 0.00 O ATOM 989 CB ASP A 66 -8.403 6.970 -25.568 1.00 0.00 C ATOM 990 CG ASP A 66 -9.161 7.838 -24.561 1.00 0.00 C ATOM 991 OD1 ASP A 66 -8.828 9.040 -24.485 1.00 0.00 O ATOM 992 OD2 ASP A 66 -10.056 7.280 -23.891 1.00 0.00 O ATOM 0 H ASP A 66 -7.940 5.466 -23.567 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.454 6.150 -25.977 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.307 7.523 -26.502 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.000 6.083 -25.782 1.00 0.00 H new ATOM 997 N VAL A 67 -5.780 7.516 -23.296 1.00 0.00 N ATOM 998 CA VAL A 67 -5.082 8.573 -22.583 1.00 0.00 C ATOM 999 C VAL A 67 -3.673 8.727 -23.160 1.00 0.00 C ATOM 1000 O VAL A 67 -3.111 9.821 -23.150 1.00 0.00 O ATOM 1001 CB VAL A 67 -5.084 8.281 -21.081 1.00 0.00 C ATOM 1002 CG1 VAL A 67 -3.747 7.683 -20.637 1.00 0.00 C ATOM 1003 CG2 VAL A 67 -5.416 9.541 -20.279 1.00 0.00 C ATOM 0 H VAL A 67 -5.822 6.624 -22.802 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.594 9.526 -22.716 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.862 7.544 -20.883 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.775 7.485 -19.566 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.569 6.751 -21.174 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.943 8.386 -20.855 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.411 9.307 -19.215 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.671 10.310 -20.485 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.403 9.905 -20.566 1.00 0.00 H new ATOM 1013 N ARG A 68 -3.144 7.616 -23.651 1.00 0.00 N ATOM 1014 CA ARG A 68 -1.813 7.613 -24.231 1.00 0.00 C ATOM 1015 C ARG A 68 -1.785 8.472 -25.498 1.00 0.00 C ATOM 1016 O ARG A 68 -0.743 9.017 -25.859 1.00 0.00 O ATOM 1017 CB ARG A 68 -1.365 6.192 -24.576 1.00 0.00 C ATOM 1018 CG ARG A 68 -2.193 5.621 -25.729 1.00 0.00 C ATOM 1019 CD ARG A 68 -1.482 4.433 -26.379 1.00 0.00 C ATOM 1020 NE ARG A 68 -1.758 4.410 -27.833 1.00 0.00 N ATOM 1021 CZ ARG A 68 -0.953 3.844 -28.743 1.00 0.00 C ATOM 1022 NH1 ARG A 68 0.183 3.249 -28.354 1.00 0.00 N ATOM 1023 NH2 ARG A 68 -1.285 3.872 -30.040 1.00 0.00 N ATOM 0 H ARG A 68 -3.614 6.711 -23.659 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.128 8.027 -23.491 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.310 6.196 -24.848 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.466 5.552 -23.699 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.169 5.307 -25.360 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.368 6.397 -26.474 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.408 4.502 -26.206 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.819 3.503 -25.922 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.615 4.853 -28.163 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.435 3.227 -27.366 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.796 2.818 -29.046 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.150 4.324 -30.335 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.672 3.441 -30.733 1.00 0.00 H new ATOM 1037 N GLU A 69 -2.941 8.564 -26.138 1.00 0.00 N ATOM 1038 CA GLU A 69 -3.061 9.346 -27.356 1.00 0.00 C ATOM 1039 C GLU A 69 -3.683 10.710 -27.052 1.00 0.00 C ATOM 1040 O GLU A 69 -4.165 11.393 -27.955 1.00 0.00 O ATOM 1041 CB GLU A 69 -3.876 8.595 -28.412 1.00 0.00 C ATOM 1042 CG GLU A 69 -5.324 8.404 -27.953 1.00 0.00 C ATOM 1043 CD GLU A 69 -6.059 7.414 -28.858 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -5.441 6.378 -29.187 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -7.223 7.715 -29.201 1.00 0.00 O ATOM 0 H GLU A 69 -3.803 8.110 -25.836 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.062 9.506 -27.761 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.858 9.148 -29.351 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.421 7.624 -28.605 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.339 8.043 -26.925 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.842 9.363 -27.961 1.00 0.00 H new ATOM 1052 N LEU A 70 -3.653 11.067 -25.776 1.00 0.00 N ATOM 1053 CA LEU A 70 -4.208 12.338 -25.341 1.00 0.00 C ATOM 1054 C LEU A 70 -3.133 13.422 -25.449 1.00 0.00 C ATOM 1055 O LEU A 70 -3.267 14.358 -26.236 1.00 0.00 O ATOM 1056 CB LEU A 70 -4.813 12.208 -23.942 1.00 0.00 C ATOM 1057 CG LEU A 70 -6.249 12.708 -23.783 1.00 0.00 C ATOM 1058 CD1 LEU A 70 -6.344 14.207 -24.073 1.00 0.00 C ATOM 1059 CD2 LEU A 70 -7.212 11.894 -24.650 1.00 0.00 C ATOM 0 H LEU A 70 -3.253 10.498 -25.030 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.030 12.638 -25.991 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.781 11.158 -23.650 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.180 12.753 -23.242 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.548 12.562 -22.745 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.376 14.536 -23.953 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.706 14.753 -23.379 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.018 14.401 -25.095 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.227 12.270 -24.518 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.924 11.985 -25.697 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.172 10.846 -24.353 1.00 0.00 H new ATOM 1071 N SER A 71 -2.091 13.260 -24.646 1.00 0.00 N ATOM 1072 CA SER A 71 -0.995 14.212 -24.641 1.00 0.00 C ATOM 1073 C SER A 71 0.066 13.795 -25.661 1.00 0.00 C ATOM 1074 O SER A 71 0.923 12.964 -25.366 1.00 0.00 O ATOM 1075 CB SER A 71 -0.374 14.331 -23.248 1.00 0.00 C ATOM 1076 OG SER A 71 -1.287 14.879 -22.301 1.00 0.00 O ATOM 0 H SER A 71 -1.984 12.483 -23.994 1.00 0.00 H new ATOM 0 HA SER A 71 -1.391 15.189 -24.917 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.049 13.347 -22.911 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.515 14.960 -23.300 1.00 0.00 H new ATOM 0 HG SER A 71 -0.853 14.937 -21.424 1.00 0.00 H new ATOM 1082 N LYS A 72 -0.027 14.391 -26.841 1.00 0.00 N ATOM 1083 CA LYS A 72 0.914 14.092 -27.907 1.00 0.00 C ATOM 1084 C LYS A 72 1.948 15.216 -28.000 1.00 0.00 C ATOM 1085 O LYS A 72 3.137 14.990 -27.781 1.00 0.00 O ATOM 1086 CB LYS A 72 0.172 13.830 -29.219 1.00 0.00 C ATOM 1087 CG LYS A 72 0.464 12.421 -29.742 1.00 0.00 C ATOM 1088 CD LYS A 72 -0.340 11.373 -28.971 1.00 0.00 C ATOM 1089 CE LYS A 72 0.221 9.969 -29.205 1.00 0.00 C ATOM 1090 NZ LYS A 72 -0.756 9.135 -29.940 1.00 0.00 N ATOM 0 H LYS A 72 -0.740 15.080 -27.082 1.00 0.00 H new ATOM 0 HA LYS A 72 1.459 13.174 -27.687 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.900 13.950 -29.065 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.471 14.568 -29.964 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.219 12.365 -30.803 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.529 12.208 -29.649 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.318 11.604 -27.906 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.384 11.408 -29.284 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.151 10.032 -29.770 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.460 9.503 -28.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.007 8.306 -29.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.612 9.693 -30.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.337 8.819 -30.838 1.00 0.00 H new ATOM 1104 N THR A 73 1.457 16.402 -28.324 1.00 0.00 N ATOM 1105 CA THR A 73 2.323 17.562 -28.448 1.00 0.00 C ATOM 1106 C THR A 73 2.810 18.015 -27.069 1.00 0.00 C ATOM 1107 O THR A 73 3.959 18.424 -26.916 1.00 0.00 O ATOM 1108 CB THR A 73 1.556 18.647 -29.208 1.00 0.00 C ATOM 1109 OG1 THR A 73 1.652 18.248 -30.573 1.00 0.00 O ATOM 1110 CG2 THR A 73 2.262 20.003 -29.165 1.00 0.00 C ATOM 0 H THR A 73 0.470 16.585 -28.505 1.00 0.00 H new ATOM 0 HA THR A 73 3.224 17.324 -29.014 1.00 0.00 H new ATOM 0 HB THR A 73 0.555 18.746 -28.787 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.180 18.895 -31.137 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.676 20.736 -29.719 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.364 20.328 -28.129 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.250 19.913 -29.616 1.00 0.00 H new ATOM 1118 N TYR A 74 1.908 17.927 -26.102 1.00 0.00 N ATOM 1119 CA TYR A 74 2.232 18.322 -24.741 1.00 0.00 C ATOM 1120 C TYR A 74 3.474 17.586 -24.237 1.00 0.00 C ATOM 1121 O TYR A 74 4.327 18.179 -23.577 1.00 0.00 O ATOM 1122 CB TYR A 74 1.029 17.914 -23.886 1.00 0.00 C ATOM 1123 CG TYR A 74 -0.298 18.514 -24.353 1.00 0.00 C ATOM 1124 CD1 TYR A 74 -0.327 19.776 -24.913 1.00 0.00 C ATOM 1125 CD2 TYR A 74 -1.467 17.794 -24.216 1.00 0.00 C ATOM 1126 CE1 TYR A 74 -1.576 20.341 -25.352 1.00 0.00 C ATOM 1127 CE2 TYR A 74 -2.716 18.358 -24.655 1.00 0.00 C ATOM 1128 CZ TYR A 74 -2.710 19.604 -25.202 1.00 0.00 C ATOM 1129 OH TYR A 74 -3.890 20.137 -25.617 1.00 0.00 O ATOM 0 H TYR A 74 0.955 17.589 -26.233 1.00 0.00 H new ATOM 0 HA TYR A 74 2.438 19.391 -24.690 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.946 16.827 -23.889 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.210 18.217 -22.855 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.588 20.339 -25.022 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.445 16.807 -23.779 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.612 21.327 -25.790 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.638 17.805 -24.553 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.614 19.499 -25.449 1.00 0.00 H new ATOM 1139 N ILE A 75 3.538 16.304 -24.566 1.00 0.00 N ATOM 1140 CA ILE A 75 4.663 15.481 -24.154 1.00 0.00 C ATOM 1141 C ILE A 75 5.941 16.320 -24.185 1.00 0.00 C ATOM 1142 O ILE A 75 6.119 17.156 -25.069 1.00 0.00 O ATOM 1143 CB ILE A 75 4.739 14.212 -25.007 1.00 0.00 C ATOM 1144 CG1 ILE A 75 3.942 13.074 -24.369 1.00 0.00 C ATOM 1145 CG2 ILE A 75 6.192 13.817 -25.273 1.00 0.00 C ATOM 1146 CD1 ILE A 75 4.728 12.430 -23.224 1.00 0.00 C ATOM 0 H ILE A 75 2.829 15.815 -25.113 1.00 0.00 H new ATOM 0 HA ILE A 75 4.530 15.140 -23.127 1.00 0.00 H new ATOM 0 HB ILE A 75 4.281 14.422 -25.974 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.993 13.456 -23.994 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.708 12.322 -25.122 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.218 12.913 -25.881 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.698 14.625 -25.802 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.698 13.632 -24.325 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.139 11.623 -22.787 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.666 12.028 -23.607 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.939 13.179 -22.461 1.00 0.00 H new ATOM 1158 N ILE A 76 6.800 16.068 -23.207 1.00 0.00 N ATOM 1159 CA ILE A 76 8.057 16.790 -23.110 1.00 0.00 C ATOM 1160 C ILE A 76 9.204 15.864 -23.519 1.00 0.00 C ATOM 1161 O ILE A 76 10.100 16.268 -24.259 1.00 0.00 O ATOM 1162 CB ILE A 76 8.222 17.394 -21.714 1.00 0.00 C ATOM 1163 CG1 ILE A 76 9.311 16.663 -20.925 1.00 0.00 C ATOM 1164 CG2 ILE A 76 6.889 17.415 -20.965 1.00 0.00 C ATOM 1165 CD1 ILE A 76 9.865 17.548 -19.807 1.00 0.00 C ATOM 0 H ILE A 76 6.650 15.374 -22.475 1.00 0.00 H new ATOM 0 HA ILE A 76 8.066 17.634 -23.800 1.00 0.00 H new ATOM 0 HB ILE A 76 8.545 18.429 -21.826 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.903 15.746 -20.500 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.118 16.371 -21.597 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.034 17.849 -19.976 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.168 18.014 -21.522 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.513 16.397 -20.863 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.637 17.005 -19.262 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.293 18.453 -20.238 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.060 17.818 -19.124 1.00 0.00 H new ATOM 1177 N GLY A 77 9.140 14.638 -23.019 1.00 0.00 N ATOM 1178 CA GLY A 77 10.162 13.652 -23.323 1.00 0.00 C ATOM 1179 C GLY A 77 10.230 12.578 -22.234 1.00 0.00 C ATOM 1180 O GLY A 77 9.311 11.774 -22.093 1.00 0.00 O ATOM 0 H GLY A 77 8.396 14.306 -22.405 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.948 13.186 -24.285 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.131 14.143 -23.415 1.00 0.00 H new ATOM 1184 N GLU A 78 11.327 12.602 -21.492 1.00 0.00 N ATOM 1185 CA GLU A 78 11.527 11.642 -20.420 1.00 0.00 C ATOM 1186 C GLU A 78 12.737 12.036 -19.572 1.00 0.00 C ATOM 1187 O GLU A 78 13.854 12.122 -20.079 1.00 0.00 O ATOM 1188 CB GLU A 78 11.686 10.225 -20.976 1.00 0.00 C ATOM 1189 CG GLU A 78 12.486 10.235 -22.280 1.00 0.00 C ATOM 1190 CD GLU A 78 12.382 8.887 -22.997 1.00 0.00 C ATOM 1191 OE1 GLU A 78 11.265 8.580 -23.469 1.00 0.00 O ATOM 1192 OE2 GLU A 78 13.420 8.194 -23.057 1.00 0.00 O ATOM 0 H GLU A 78 12.087 13.272 -21.612 1.00 0.00 H new ATOM 0 HA GLU A 78 10.643 11.651 -19.782 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.189 9.596 -20.241 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.703 9.787 -21.151 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.117 11.027 -22.931 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.532 10.458 -22.068 1.00 0.00 H new ATOM 1199 N LEU A 79 12.474 12.268 -18.294 1.00 0.00 N ATOM 1200 CA LEU A 79 13.527 12.652 -17.370 1.00 0.00 C ATOM 1201 C LEU A 79 14.577 11.541 -17.311 1.00 0.00 C ATOM 1202 O LEU A 79 14.267 10.375 -17.546 1.00 0.00 O ATOM 1203 CB LEU A 79 12.938 13.015 -16.006 1.00 0.00 C ATOM 1204 CG LEU A 79 13.011 11.927 -14.932 1.00 0.00 C ATOM 1205 CD1 LEU A 79 12.611 10.566 -15.504 1.00 0.00 C ATOM 1206 CD2 LEU A 79 14.395 11.891 -14.283 1.00 0.00 C ATOM 0 H LEU A 79 11.546 12.197 -17.877 1.00 0.00 H new ATOM 0 HA LEU A 79 14.033 13.551 -17.721 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.454 13.900 -15.634 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.893 13.290 -16.146 1.00 0.00 H new ATOM 0 HG LEU A 79 12.294 12.171 -14.148 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.671 9.810 -14.721 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.590 10.616 -15.882 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.286 10.300 -16.317 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.421 11.110 -13.524 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.148 11.683 -15.043 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.604 12.855 -13.819 1.00 0.00 H new ATOM 1218 N HIS A 80 15.800 11.943 -16.995 1.00 0.00 N ATOM 1219 CA HIS A 80 16.897 10.997 -16.901 1.00 0.00 C ATOM 1220 C HIS A 80 16.366 9.637 -16.442 1.00 0.00 C ATOM 1221 O HIS A 80 15.532 9.566 -15.541 1.00 0.00 O ATOM 1222 CB HIS A 80 18.005 11.537 -15.996 1.00 0.00 C ATOM 1223 CG HIS A 80 19.395 11.105 -16.399 1.00 0.00 C ATOM 1224 ND1 HIS A 80 20.144 10.203 -15.664 1.00 0.00 N ATOM 1225 CD2 HIS A 80 20.162 11.460 -17.470 1.00 0.00 C ATOM 1226 CE1 HIS A 80 21.308 10.032 -16.273 1.00 0.00 C ATOM 1227 NE2 HIS A 80 21.318 10.811 -17.392 1.00 0.00 N ATOM 0 H HIS A 80 16.054 12.912 -16.801 1.00 0.00 H new ATOM 0 HA HIS A 80 17.347 10.859 -17.884 1.00 0.00 H new ATOM 0 HB2 HIS A 80 17.960 12.626 -15.995 1.00 0.00 H new ATOM 0 HB3 HIS A 80 17.816 11.210 -14.974 1.00 0.00 H new ATOM 0 HD2 HIS A 80 19.877 12.152 -18.249 1.00 0.00 H new ATOM 0 HE1 HIS A 80 22.109 9.388 -15.941 1.00 0.00 H new ATOM 0 HE2 HIS A 80 22.086 10.883 -18.059 1.00 0.00 H new ATOM 1235 N PRO A 81 16.884 8.565 -17.099 1.00 0.00 N ATOM 1236 CA PRO A 81 16.469 7.213 -16.768 1.00 0.00 C ATOM 1237 C PRO A 81 17.100 6.753 -15.451 1.00 0.00 C ATOM 1238 O PRO A 81 16.620 5.810 -14.825 1.00 0.00 O ATOM 1239 CB PRO A 81 16.896 6.368 -17.957 1.00 0.00 C ATOM 1240 CG PRO A 81 17.940 7.188 -18.698 1.00 0.00 C ATOM 1241 CD PRO A 81 17.873 8.613 -18.172 1.00 0.00 C ATOM 0 HA PRO A 81 15.395 7.131 -16.603 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.309 5.414 -17.630 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.046 6.143 -18.602 1.00 0.00 H new ATOM 0 HG2 PRO A 81 18.935 6.770 -18.542 1.00 0.00 H new ATOM 0 HG3 PRO A 81 17.750 7.168 -19.771 1.00 0.00 H new ATOM 0 HD2 PRO A 81 18.843 8.945 -17.802 1.00 0.00 H new ATOM 0 HD3 PRO A 81 17.575 9.311 -18.955 1.00 0.00 H new ATOM 1249 N ASP A 82 18.166 7.442 -15.071 1.00 0.00 N ATOM 1250 CA ASP A 82 18.867 7.117 -13.841 1.00 0.00 C ATOM 1251 C ASP A 82 18.112 7.718 -12.654 1.00 0.00 C ATOM 1252 O ASP A 82 17.907 7.050 -11.641 1.00 0.00 O ATOM 1253 CB ASP A 82 20.283 7.697 -13.844 1.00 0.00 C ATOM 1254 CG ASP A 82 21.357 6.786 -13.247 1.00 0.00 C ATOM 1255 OD1 ASP A 82 21.204 6.431 -12.057 1.00 0.00 O ATOM 1256 OD2 ASP A 82 22.307 6.464 -13.993 1.00 0.00 O ATOM 0 H ASP A 82 18.561 8.224 -15.593 1.00 0.00 H new ATOM 0 HA ASP A 82 18.922 6.031 -13.762 1.00 0.00 H new ATOM 0 HB2 ASP A 82 20.560 7.935 -14.871 1.00 0.00 H new ATOM 0 HB3 ASP A 82 20.276 8.636 -13.290 1.00 0.00 H new ATOM 1261 N ASP A 83 17.718 8.972 -12.819 1.00 0.00 N ATOM 1262 CA ASP A 83 16.989 9.671 -11.773 1.00 0.00 C ATOM 1263 C ASP A 83 15.617 9.020 -11.592 1.00 0.00 C ATOM 1264 O ASP A 83 15.083 8.985 -10.484 1.00 0.00 O ATOM 1265 CB ASP A 83 16.771 11.140 -12.141 1.00 0.00 C ATOM 1266 CG ASP A 83 17.808 12.110 -11.573 1.00 0.00 C ATOM 1267 OD1 ASP A 83 18.999 11.933 -11.914 1.00 0.00 O ATOM 1268 OD2 ASP A 83 17.389 13.007 -10.810 1.00 0.00 O ATOM 0 H ASP A 83 17.889 9.522 -13.661 1.00 0.00 H new ATOM 0 HA ASP A 83 17.575 9.612 -10.856 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.768 11.230 -13.227 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.783 11.443 -11.793 1.00 0.00 H new ATOM 1273 N ARG A 84 15.084 8.521 -12.698 1.00 0.00 N ATOM 1274 CA ARG A 84 13.783 7.873 -12.675 1.00 0.00 C ATOM 1275 C ARG A 84 13.838 6.601 -11.828 1.00 0.00 C ATOM 1276 O ARG A 84 12.902 6.301 -11.088 1.00 0.00 O ATOM 1277 CB ARG A 84 13.320 7.517 -14.089 1.00 0.00 C ATOM 1278 CG ARG A 84 12.356 6.329 -14.067 1.00 0.00 C ATOM 1279 CD ARG A 84 13.059 5.043 -14.509 1.00 0.00 C ATOM 1280 NE ARG A 84 12.156 4.241 -15.362 1.00 0.00 N ATOM 1281 CZ ARG A 84 12.462 3.031 -15.850 1.00 0.00 C ATOM 1282 NH1 ARG A 84 13.650 2.477 -15.571 1.00 0.00 N ATOM 1283 NH2 ARG A 84 11.581 2.374 -16.617 1.00 0.00 N ATOM 0 H ARG A 84 15.529 8.552 -13.615 1.00 0.00 H new ATOM 0 HA ARG A 84 13.072 8.574 -12.238 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.831 8.379 -14.543 1.00 0.00 H new ATOM 0 HB3 ARG A 84 14.184 7.278 -14.709 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.954 6.201 -13.062 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.511 6.530 -14.725 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.969 5.286 -15.057 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.358 4.463 -13.636 1.00 0.00 H new ATOM 0 HE ARG A 84 11.243 4.633 -15.593 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.321 2.976 -14.987 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.883 1.556 -15.942 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.677 2.795 -16.830 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.815 1.453 -16.988 1.00 0.00 H new ATOM 1297 N SER A 85 14.945 5.885 -11.964 1.00 0.00 N ATOM 1298 CA SER A 85 15.135 4.651 -11.221 1.00 0.00 C ATOM 1299 C SER A 85 15.751 4.953 -9.854 1.00 0.00 C ATOM 1300 O SER A 85 15.916 4.054 -9.031 1.00 0.00 O ATOM 1301 CB SER A 85 16.018 3.671 -11.997 1.00 0.00 C ATOM 1302 OG SER A 85 16.218 2.453 -11.284 1.00 0.00 O ATOM 0 H SER A 85 15.720 6.136 -12.578 1.00 0.00 H new ATOM 0 HA SER A 85 14.160 4.184 -11.078 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.559 3.455 -12.962 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.983 4.135 -12.200 1.00 0.00 H new ATOM 0 HG SER A 85 16.021 2.594 -10.334 1.00 0.00 H new ATOM 1308 N LYS A 86 16.076 6.222 -9.654 1.00 0.00 N ATOM 1309 CA LYS A 86 16.670 6.655 -8.401 1.00 0.00 C ATOM 1310 C LYS A 86 15.612 6.609 -7.297 1.00 0.00 C ATOM 1311 O LYS A 86 15.893 6.181 -6.178 1.00 0.00 O ATOM 1312 CB LYS A 86 17.329 8.026 -8.565 1.00 0.00 C ATOM 1313 CG LYS A 86 18.836 7.885 -8.789 1.00 0.00 C ATOM 1314 CD LYS A 86 19.622 8.659 -7.728 1.00 0.00 C ATOM 1315 CE LYS A 86 20.970 7.991 -7.449 1.00 0.00 C ATOM 1316 NZ LYS A 86 21.661 8.666 -6.327 1.00 0.00 N ATOM 0 H LYS A 86 15.939 6.965 -10.340 1.00 0.00 H new ATOM 0 HA LYS A 86 17.470 5.977 -8.105 1.00 0.00 H new ATOM 0 HB2 LYS A 86 16.880 8.551 -9.408 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.144 8.631 -7.677 1.00 0.00 H new ATOM 0 HG2 LYS A 86 19.115 6.832 -8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.096 8.254 -9.781 1.00 0.00 H new ATOM 0 HD2 LYS A 86 19.782 9.683 -8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 86 19.041 8.713 -6.807 1.00 0.00 H new ATOM 0 HE2 LYS A 86 20.818 6.938 -7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 86 21.593 8.028 -8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 22.574 8.200 -6.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 21.823 9.664 -6.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 21.072 8.608 -5.472 1.00 0.00 H new ATOM 1330 N ILE A 87 14.415 7.058 -7.649 1.00 0.00 N ATOM 1331 CA ILE A 87 13.314 7.074 -6.703 1.00 0.00 C ATOM 1332 C ILE A 87 12.631 5.704 -6.697 1.00 0.00 C ATOM 1333 O ILE A 87 11.755 5.447 -5.873 1.00 0.00 O ATOM 1334 CB ILE A 87 12.362 8.233 -7.007 1.00 0.00 C ATOM 1335 CG1 ILE A 87 12.902 9.548 -6.440 1.00 0.00 C ATOM 1336 CG2 ILE A 87 10.949 7.929 -6.505 1.00 0.00 C ATOM 1337 CD1 ILE A 87 12.194 10.748 -7.072 1.00 0.00 C ATOM 0 H ILE A 87 14.185 7.413 -8.577 1.00 0.00 H new ATOM 0 HA ILE A 87 13.684 7.251 -5.693 1.00 0.00 H new ATOM 0 HB ILE A 87 12.300 8.350 -8.089 1.00 0.00 H new ATOM 0 HG12 ILE A 87 12.763 9.567 -5.359 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.974 9.615 -6.625 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.293 8.769 -6.734 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.574 7.031 -6.996 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.972 7.770 -5.427 1.00 0.00 H new ATOM 0 HD11 ILE A 87 12.596 11.670 -6.652 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.356 10.739 -8.150 1.00 0.00 H new ATOM 0 HD13 ILE A 87 11.125 10.691 -6.865 1.00 0.00 H new ATOM 1349 N ALA A 88 13.059 4.862 -7.626 1.00 0.00 N ATOM 1350 CA ALA A 88 12.501 3.525 -7.738 1.00 0.00 C ATOM 1351 C ALA A 88 12.932 2.693 -6.528 1.00 0.00 C ATOM 1352 O ALA A 88 13.524 1.627 -6.683 1.00 0.00 O ATOM 1353 CB ALA A 88 12.940 2.898 -9.063 1.00 0.00 C ATOM 0 H ALA A 88 13.786 5.080 -8.308 1.00 0.00 H new ATOM 0 HA ALA A 88 11.412 3.563 -7.740 1.00 0.00 H new ATOM 0 HB1 ALA A 88 12.522 1.895 -9.147 1.00 0.00 H new ATOM 0 HB2 ALA A 88 12.584 3.511 -9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.028 2.841 -9.096 1.00 0.00 H new TER 1359 ALA A 88 HETATM 1360 FE HEM A 95 -6.030 12.364 -15.808 1.00 0.00 FE HETATM 1361 CHA HEM A 95 -9.344 11.814 -15.764 1.00 0.00 C HETATM 1362 CHB HEM A 95 -6.071 12.365 -19.205 1.00 0.00 C HETATM 1363 CHC HEM A 95 -2.702 12.942 -15.833 1.00 0.00 C HETATM 1364 CHD HEM A 95 -5.974 12.388 -12.395 1.00 0.00 C HETATM 1365 NA HEM A 95 -7.450 12.121 -17.192 1.00 0.00 N HETATM 1366 C1A HEM A 95 -8.780 11.913 -16.960 1.00 0.00 C HETATM 1367 C2A HEM A 95 -9.462 11.795 -18.245 1.00 0.00 C HETATM 1368 C3A HEM A 95 -8.538 11.957 -19.206 1.00 0.00 C HETATM 1369 C4A HEM A 95 -7.281 12.173 -18.546 1.00 0.00 C HETATM 1370 CMA HEM A 95 -8.800 11.873 -20.702 1.00 0.00 C HETATM 1371 CAA HEM A 95 -10.755 10.962 -18.564 1.00 0.00 C HETATM 1372 CBA HEM A 95 -10.713 9.449 -18.878 1.00 0.00 C HETATM 1373 CGA HEM A 95 -10.003 8.634 -17.805 1.00 0.00 C HETATM 1374 O1A HEM A 95 -9.262 9.230 -16.983 1.00 0.00 O HETATM 1375 O2A HEM A 95 -10.187 7.391 -17.758 1.00 0.00 O HETATM 1376 NB HEM A 95 -4.650 12.597 -17.225 1.00 0.00 N HETATM 1377 C1B HEM A 95 -4.863 12.560 -18.570 1.00 0.00 C HETATM 1378 C2B HEM A 95 -3.617 12.780 -19.284 1.00 0.00 C HETATM 1379 C3B HEM A 95 -2.669 12.941 -18.347 1.00 0.00 C HETATM 1380 C4B HEM A 95 -3.316 12.846 -17.039 1.00 0.00 C HETATM 1381 CMB HEM A 95 -3.383 12.803 -20.786 1.00 0.00 C HETATM 1382 CAB HEM A 95 -1.203 13.186 -18.605 1.00 0.00 C HETATM 1383 CBB HEM A 95 -0.498 14.171 -18.438 1.00 0.00 C HETATM 1384 NC HEM A 95 -4.612 12.630 -14.395 1.00 0.00 N HETATM 1385 C1C HEM A 95 -3.281 12.849 -14.613 1.00 0.00 C HETATM 1386 C2C HEM A 95 -2.582 12.958 -13.355 1.00 0.00 C HETATM 1387 C3C HEM A 95 -3.537 12.820 -12.361 1.00 0.00 C HETATM 1388 C4C HEM A 95 -4.785 12.591 -13.025 1.00 0.00 C HETATM 1389 CMC HEM A 95 -1.133 13.213 -13.102 1.00 0.00 C HETATM 1390 CAC HEM A 95 -3.247 12.881 -10.897 1.00 0.00 C HETATM 1391 CBC HEM A 95 -3.406 12.120 -10.120 1.00 0.00 C HETATM 1392 ND HEM A 95 -7.411 12.148 -14.368 1.00 0.00 N HETATM 1393 C1D HEM A 95 -7.191 12.185 -13.004 1.00 0.00 C HETATM 1394 C2D HEM A 95 -8.471 11.970 -12.301 1.00 0.00 C HETATM 1395 C3D HEM A 95 -9.376 11.814 -13.254 1.00 0.00 C HETATM 1396 C4D HEM A 95 -8.731 11.927 -14.541 1.00 0.00 C HETATM 1397 CMD HEM A 95 -8.661 11.952 -10.815 1.00 0.00 C HETATM 1398 CAD HEM A 95 -10.989 11.796 -13.213 1.00 0.00 C HETATM 1399 CBD HEM A 95 -11.520 13.106 -12.582 1.00 0.00 C HETATM 1400 CGD HEM A 95 -13.029 13.252 -12.778 1.00 0.00 C HETATM 1401 O1D HEM A 95 -13.890 12.837 -12.004 1.00 0.00 O HETATM 1402 O2D HEM A 95 -13.258 13.614 -14.032 1.00 0.00 O HETATM 0 HMA1 HEM A 95 -8.077 12.491 -21.233 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 -9.808 12.229 -20.915 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 -8.704 10.838 -21.031 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 -4.098 12.142 -21.276 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 -2.370 12.464 -21.002 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 -3.513 13.819 -21.159 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 -0.543 12.806 -13.923 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 -0.836 12.732 -12.170 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 -0.960 14.287 -13.028 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 -7.750 11.594 -10.336 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 -9.489 11.289 -10.562 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 -8.883 12.960 -10.464 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 0.560 14.134 -18.696 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 -0.928 15.086 -18.031 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 -3.135 12.332 -9.086 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 -3.835 11.153 -10.384 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 -10.211 9.296 -19.833 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 -11.732 9.079 -18.991 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 -11.234 11.444 -19.416 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 -11.423 11.085 -17.712 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 -11.010 13.959 -13.029 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 -11.288 13.118 -11.517 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 -11.336 10.939 -12.636 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 -11.385 11.683 -14.222 1.00 0.00 H new HETATM 0 HHA HEM A 95 -10.407 11.623 -15.751 1.00 0.00 H new HETATM 0 HHB HEM A 95 -6.078 12.361 -20.285 1.00 0.00 H new HETATM 0 HHC HEM A 95 -1.635 13.111 -15.848 1.00 0.00 H new HETATM 0 HHD HEM A 95 -5.961 12.386 -11.315 1.00 0.00 H new HETATM 0 HAB HEM A 95 -0.675 12.326 -19.016 1.00 0.00 H new HETATM 0 HAC HEM A 95 -2.814 13.818 -10.548 1.00 0.00 H new