USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 665 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 51 TYR OH : rot 30:sc=-0.00841 USER MOD Set 1.2: A 57 LYS NZ :NH3+ 180:sc= 0.497 (180deg=0.497) USER MOD Set 1.3: A 61 TYR OH : rot 180:sc= -1.19 USER MOD Set 2.1: A 33 CYS SG : rot 180:sc= -0.84 USER MOD Set 2.2: A 38 MET CE :methyl -109:sc= -1.32 (180deg=-0.251) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -150:sc= -0.213 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1.02 X(o=-1,f=-1.3) USER MOD Single : A 46 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.51) USER MOD Single : A 49 THR OG1 : rot 96:sc= 1.22 USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= 0.12 (180deg=0.0872) USER MOD Single : A 60 ASN : amide:sc= -0.127 K(o=-0.13,f=-3!) USER MOD Single : A 64 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.063) USER MOD Single : A 66 HIS : no HD1:sc= -1.91 X(o=-1.9,f=-2.1) USER MOD Single : A 70 HIS : +bothHN:sc= -1.2 K(o=-1.2,f=-7.9!) USER MOD Single : A 83 CYS SG : rot -33:sc= 0.0559 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -14.278 12.235 5.509 1.00 0.00 N ATOM 2 CA SER A 16 -13.594 11.146 4.822 1.00 0.00 C ATOM 3 C SER A 16 -12.136 11.055 5.259 1.00 0.00 C ATOM 4 O SER A 16 -11.686 11.816 6.117 1.00 0.00 O ATOM 5 CB SER A 16 -13.677 11.336 3.305 1.00 0.00 C ATOM 6 OG SER A 16 -12.633 12.172 2.835 1.00 0.00 O ATOM 0 HA SER A 16 -14.091 10.214 5.090 1.00 0.00 H new ATOM 0 HB2 SER A 16 -13.620 10.366 2.811 1.00 0.00 H new ATOM 0 HB3 SER A 16 -14.641 11.771 3.043 1.00 0.00 H new ATOM 0 HG SER A 16 -12.709 12.275 1.863 1.00 0.00 H new ATOM 12 N GLU A 17 -11.401 10.121 4.665 1.00 0.00 N ATOM 13 CA GLU A 17 -9.992 9.932 4.995 1.00 0.00 C ATOM 14 C GLU A 17 -9.156 9.767 3.729 1.00 0.00 C ATOM 15 O GLU A 17 -9.614 10.075 2.628 1.00 0.00 O ATOM 16 CB GLU A 17 -9.824 8.714 5.909 1.00 0.00 C ATOM 17 CG GLU A 17 -10.082 7.385 5.215 1.00 0.00 C ATOM 18 CD GLU A 17 -11.300 6.666 5.762 1.00 0.00 C ATOM 19 OE1 GLU A 17 -11.146 5.887 6.726 1.00 0.00 O ATOM 20 OE2 GLU A 17 -12.407 6.884 5.226 1.00 0.00 O ATOM 0 H GLU A 17 -11.757 9.483 3.953 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.639 10.819 5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.812 8.712 6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.505 8.810 6.755 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.216 7.557 4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.207 6.745 5.327 1.00 0.00 H new ATOM 27 N PHE A 18 -7.928 9.282 3.888 1.00 0.00 N ATOM 28 CA PHE A 18 -7.034 9.082 2.753 1.00 0.00 C ATOM 29 C PHE A 18 -7.034 7.623 2.310 1.00 0.00 C ATOM 30 O PHE A 18 -7.384 6.729 3.081 1.00 0.00 O ATOM 31 CB PHE A 18 -5.611 9.517 3.114 1.00 0.00 C ATOM 32 CG PHE A 18 -4.922 10.281 2.019 1.00 0.00 C ATOM 33 CD1 PHE A 18 -4.253 9.612 1.005 1.00 0.00 C ATOM 34 CD2 PHE A 18 -4.944 11.666 2.003 1.00 0.00 C ATOM 35 CE1 PHE A 18 -3.620 10.313 -0.004 1.00 0.00 C ATOM 36 CE2 PHE A 18 -4.312 12.371 0.998 1.00 0.00 C ATOM 37 CZ PHE A 18 -3.651 11.693 -0.008 1.00 0.00 C ATOM 0 H PHE A 18 -7.530 9.021 4.790 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.395 9.694 1.927 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.645 10.135 4.011 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.020 8.634 3.357 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.226 8.532 1.004 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.462 12.201 2.786 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.102 9.782 -0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.334 13.451 0.998 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.159 12.242 -0.797 1.00 0.00 H new ATOM 47 N LYS A 19 -6.639 7.390 1.063 1.00 0.00 N ATOM 48 CA LYS A 19 -6.592 6.038 0.517 1.00 0.00 C ATOM 49 C LYS A 19 -5.728 5.985 -0.739 1.00 0.00 C ATOM 50 O LYS A 19 -6.003 6.669 -1.724 1.00 0.00 O ATOM 51 CB LYS A 19 -8.006 5.545 0.202 1.00 0.00 C ATOM 52 CG LYS A 19 -8.265 4.114 0.645 1.00 0.00 C ATOM 53 CD LYS A 19 -8.712 3.240 -0.517 1.00 0.00 C ATOM 54 CE LYS A 19 -8.647 1.763 -0.159 1.00 0.00 C ATOM 55 NZ LYS A 19 -9.835 1.328 0.623 1.00 0.00 N ATOM 0 H LYS A 19 -6.347 8.119 0.412 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.145 5.385 1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.727 6.203 0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.177 5.621 -0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.358 3.699 1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.029 4.106 1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.731 3.503 -0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.080 3.434 -1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.577 1.171 -1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.742 1.569 0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.752 0.316 0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.888 1.874 1.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.697 1.489 0.064 1.00 0.00 H new ATOM 69 N VAL A 20 -4.685 5.162 -0.697 1.00 0.00 N ATOM 70 CA VAL A 20 -3.781 5.015 -1.830 1.00 0.00 C ATOM 71 C VAL A 20 -3.438 3.550 -2.072 1.00 0.00 C ATOM 72 O VAL A 20 -3.278 2.777 -1.128 1.00 0.00 O ATOM 73 CB VAL A 20 -2.479 5.808 -1.618 1.00 0.00 C ATOM 74 CG1 VAL A 20 -2.747 7.304 -1.670 1.00 0.00 C ATOM 75 CG2 VAL A 20 -1.826 5.420 -0.300 1.00 0.00 C ATOM 0 H VAL A 20 -4.446 4.587 0.111 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.300 5.413 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.790 5.560 -2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.814 7.846 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.164 7.565 -2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.455 7.574 -0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.907 5.991 -0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.509 5.636 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.594 4.355 -0.309 1.00 0.00 H new ATOM 85 N THR A 21 -3.328 3.174 -3.343 1.00 0.00 N ATOM 86 CA THR A 21 -3.004 1.800 -3.707 1.00 0.00 C ATOM 87 C THR A 21 -1.516 1.651 -4.002 1.00 0.00 C ATOM 88 O THR A 21 -0.976 2.324 -4.879 1.00 0.00 O ATOM 89 CB THR A 21 -3.824 1.364 -4.923 1.00 0.00 C ATOM 90 OG1 THR A 21 -5.209 1.528 -4.679 1.00 0.00 O ATOM 91 CG2 THR A 21 -3.594 -0.080 -5.311 1.00 0.00 C ATOM 0 H THR A 21 -3.458 3.801 -4.137 1.00 0.00 H new ATOM 0 HA THR A 21 -3.254 1.159 -2.861 1.00 0.00 H new ATOM 0 HB THR A 21 -3.490 2.002 -5.741 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.716 1.245 -5.469 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.205 -0.325 -6.180 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.542 -0.228 -5.554 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.869 -0.729 -4.479 1.00 0.00 H new ATOM 99 N VAL A 22 -0.858 0.764 -3.263 1.00 0.00 N ATOM 100 CA VAL A 22 0.568 0.525 -3.445 1.00 0.00 C ATOM 101 C VAL A 22 0.814 -0.779 -4.195 1.00 0.00 C ATOM 102 O VAL A 22 0.559 -1.865 -3.674 1.00 0.00 O ATOM 103 CB VAL A 22 1.306 0.473 -2.093 1.00 0.00 C ATOM 104 CG1 VAL A 22 2.811 0.425 -2.306 1.00 0.00 C ATOM 105 CG2 VAL A 22 0.920 1.664 -1.230 1.00 0.00 C ATOM 0 H VAL A 22 -1.290 0.199 -2.532 1.00 0.00 H new ATOM 0 HA VAL A 22 0.957 1.358 -4.031 1.00 0.00 H new ATOM 0 HB VAL A 22 1.008 -0.437 -1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.314 0.389 -1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.069 -0.463 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.130 1.315 -2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.450 1.611 -0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.187 2.587 -1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.155 1.648 -1.048 1.00 0.00 H new ATOM 115 N CYS A 23 1.309 -0.663 -5.424 1.00 0.00 N ATOM 116 CA CYS A 23 1.589 -1.835 -6.246 1.00 0.00 C ATOM 117 C CYS A 23 2.985 -2.377 -5.960 1.00 0.00 C ATOM 118 O CYS A 23 3.982 -1.836 -6.437 1.00 0.00 O ATOM 119 CB CYS A 23 1.458 -1.486 -7.728 1.00 0.00 C ATOM 120 SG CYS A 23 1.706 -2.888 -8.843 1.00 0.00 S ATOM 0 H CYS A 23 1.524 0.228 -5.871 1.00 0.00 H new ATOM 0 HA CYS A 23 0.861 -2.607 -5.996 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.468 -1.066 -7.905 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.182 -0.709 -7.972 1.00 0.00 H new ATOM 0 HG CYS A 23 1.573 -2.492 -10.074 1.00 0.00 H new ATOM 126 N PHE A 24 3.049 -3.452 -5.181 1.00 0.00 N ATOM 127 CA PHE A 24 4.322 -4.069 -4.834 1.00 0.00 C ATOM 128 C PHE A 24 4.756 -5.056 -5.912 1.00 0.00 C ATOM 129 O PHE A 24 4.276 -6.188 -5.961 1.00 0.00 O ATOM 130 CB PHE A 24 4.214 -4.785 -3.487 1.00 0.00 C ATOM 131 CG PHE A 24 4.248 -3.853 -2.310 1.00 0.00 C ATOM 132 CD1 PHE A 24 5.449 -3.334 -1.855 1.00 0.00 C ATOM 133 CD2 PHE A 24 3.079 -3.497 -1.658 1.00 0.00 C ATOM 134 CE1 PHE A 24 5.484 -2.477 -0.772 1.00 0.00 C ATOM 135 CE2 PHE A 24 3.106 -2.639 -0.575 1.00 0.00 C ATOM 136 CZ PHE A 24 4.311 -2.129 -0.132 1.00 0.00 C ATOM 0 H PHE A 24 2.233 -3.913 -4.778 1.00 0.00 H new ATOM 0 HA PHE A 24 5.073 -3.282 -4.761 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.286 -5.356 -3.461 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.032 -5.500 -3.398 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.369 -3.603 -2.353 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.135 -3.895 -2.000 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.427 -2.080 -0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.187 -2.368 -0.076 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.336 -1.459 0.714 1.00 0.00 H new ATOM 146 N GLY A 25 5.669 -4.618 -6.775 1.00 0.00 N ATOM 147 CA GLY A 25 6.154 -5.476 -7.841 1.00 0.00 C ATOM 148 C GLY A 25 5.032 -6.024 -8.704 1.00 0.00 C ATOM 149 O GLY A 25 4.648 -5.407 -9.699 1.00 0.00 O ATOM 0 H GLY A 25 6.081 -3.685 -6.755 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.848 -4.915 -8.467 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.714 -6.306 -7.409 1.00 0.00 H new ATOM 153 N ARG A 26 4.506 -7.183 -8.321 1.00 0.00 N ATOM 154 CA ARG A 26 3.421 -7.814 -9.065 1.00 0.00 C ATOM 155 C ARG A 26 2.199 -8.024 -8.174 1.00 0.00 C ATOM 156 O ARG A 26 1.441 -8.978 -8.355 1.00 0.00 O ATOM 157 CB ARG A 26 3.888 -9.152 -9.646 1.00 0.00 C ATOM 158 CG ARG A 26 4.106 -9.119 -11.150 1.00 0.00 C ATOM 159 CD ARG A 26 5.577 -8.949 -11.499 1.00 0.00 C ATOM 160 NE ARG A 26 6.073 -10.043 -12.330 1.00 0.00 N ATOM 161 CZ ARG A 26 5.649 -10.285 -13.568 1.00 0.00 C ATOM 162 NH1 ARG A 26 4.720 -9.515 -14.121 1.00 0.00 N ATOM 163 NH2 ARG A 26 6.155 -11.299 -14.255 1.00 0.00 N ATOM 0 H ARG A 26 4.813 -7.704 -7.500 1.00 0.00 H new ATOM 0 HA ARG A 26 3.137 -7.152 -9.883 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.818 -9.445 -9.159 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.149 -9.918 -9.411 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.731 -10.041 -11.593 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.532 -8.300 -11.584 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.718 -8.003 -12.023 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.163 -8.896 -10.582 1.00 0.00 H new ATOM 0 HE ARG A 26 6.786 -10.658 -11.938 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.327 -8.733 -13.597 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.399 -9.705 -15.070 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.869 -11.894 -13.835 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.830 -11.485 -15.204 1.00 0.00 H new ATOM 177 N THR A 27 2.013 -7.126 -7.212 1.00 0.00 N ATOM 178 CA THR A 27 0.884 -7.210 -6.293 1.00 0.00 C ATOM 179 C THR A 27 0.295 -5.827 -6.030 1.00 0.00 C ATOM 180 O THR A 27 1.018 -4.833 -5.979 1.00 0.00 O ATOM 181 CB THR A 27 1.318 -7.856 -4.975 1.00 0.00 C ATOM 182 OG1 THR A 27 1.834 -9.156 -5.202 1.00 0.00 O ATOM 183 CG2 THR A 27 0.196 -7.977 -3.965 1.00 0.00 C ATOM 0 H THR A 27 2.631 -6.331 -7.049 1.00 0.00 H new ATOM 0 HA THR A 27 0.115 -7.830 -6.754 1.00 0.00 H new ATOM 0 HB THR A 27 2.080 -7.192 -4.566 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.664 -9.717 -4.417 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.574 -8.443 -3.055 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.191 -6.985 -3.731 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.604 -8.590 -4.381 1.00 0.00 H new ATOM 191 N ARG A 28 -1.023 -5.772 -5.864 1.00 0.00 N ATOM 192 CA ARG A 28 -1.709 -4.511 -5.606 1.00 0.00 C ATOM 193 C ARG A 28 -2.430 -4.549 -4.263 1.00 0.00 C ATOM 194 O ARG A 28 -3.331 -5.360 -4.052 1.00 0.00 O ATOM 195 CB ARG A 28 -2.709 -4.215 -6.725 1.00 0.00 C ATOM 196 CG ARG A 28 -2.067 -4.114 -8.102 1.00 0.00 C ATOM 197 CD ARG A 28 -2.838 -4.912 -9.144 1.00 0.00 C ATOM 198 NE ARG A 28 -3.576 -4.047 -10.062 1.00 0.00 N ATOM 199 CZ ARG A 28 -4.758 -3.503 -9.782 1.00 0.00 C ATOM 200 NH1 ARG A 28 -5.339 -3.728 -8.610 1.00 0.00 N ATOM 201 NH2 ARG A 28 -5.359 -2.730 -10.676 1.00 0.00 N ATOM 0 H ARG A 28 -1.637 -6.586 -5.904 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.962 -3.718 -5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.466 -4.999 -6.742 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.224 -3.280 -6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.021 -3.068 -8.406 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.040 -4.477 -8.052 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.144 -5.533 -9.710 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.533 -5.586 -8.643 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.160 -3.848 -10.972 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.880 -4.320 -7.918 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.245 -3.308 -8.401 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.915 -2.553 -11.577 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.265 -2.313 -10.462 1.00 0.00 H new ATOM 215 N VAL A 29 -2.028 -3.665 -3.356 1.00 0.00 N ATOM 216 CA VAL A 29 -2.638 -3.595 -2.033 1.00 0.00 C ATOM 217 C VAL A 29 -3.019 -2.163 -1.678 1.00 0.00 C ATOM 218 O VAL A 29 -2.191 -1.254 -1.744 1.00 0.00 O ATOM 219 CB VAL A 29 -1.691 -4.145 -0.949 1.00 0.00 C ATOM 220 CG1 VAL A 29 -1.643 -5.664 -1.001 1.00 0.00 C ATOM 221 CG2 VAL A 29 -0.298 -3.554 -1.105 1.00 0.00 C ATOM 0 H VAL A 29 -1.282 -2.987 -3.513 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.538 -4.210 -2.067 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.077 -3.851 0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.969 -6.033 -0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.642 -6.066 -0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.283 -5.983 -1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.356 -3.955 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.100 -3.814 -2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.350 -2.469 -1.011 1.00 0.00 H new ATOM 231 N ASP A 30 -4.279 -1.967 -1.302 1.00 0.00 N ATOM 232 CA ASP A 30 -4.772 -0.643 -0.938 1.00 0.00 C ATOM 233 C ASP A 30 -4.348 -0.276 0.480 1.00 0.00 C ATOM 234 O ASP A 30 -4.248 -1.140 1.353 1.00 0.00 O ATOM 235 CB ASP A 30 -6.295 -0.593 -1.057 1.00 0.00 C ATOM 236 CG ASP A 30 -6.975 -1.695 -0.267 1.00 0.00 C ATOM 237 OD1 ASP A 30 -6.695 -2.880 -0.543 1.00 0.00 O ATOM 238 OD2 ASP A 30 -7.785 -1.372 0.626 1.00 0.00 O ATOM 0 H ASP A 30 -4.977 -2.708 -1.241 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.337 0.082 -1.627 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.652 0.375 -0.706 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.577 -0.675 -2.107 1.00 0.00 H new ATOM 243 N VAL A 31 -4.101 1.010 0.704 1.00 0.00 N ATOM 244 CA VAL A 31 -3.689 1.491 2.018 1.00 0.00 C ATOM 245 C VAL A 31 -4.555 2.665 2.469 1.00 0.00 C ATOM 246 O VAL A 31 -4.266 3.818 2.151 1.00 0.00 O ATOM 247 CB VAL A 31 -2.213 1.931 2.017 1.00 0.00 C ATOM 248 CG1 VAL A 31 -1.745 2.239 3.430 1.00 0.00 C ATOM 249 CG2 VAL A 31 -1.339 0.861 1.380 1.00 0.00 C ATOM 0 H VAL A 31 -4.179 1.738 -0.007 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.814 0.660 2.713 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.125 2.842 1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.700 2.548 3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.352 3.042 3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.847 1.348 4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.299 1.188 1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.431 -0.067 1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.659 0.694 0.352 1.00 0.00 H new ATOM 259 N PRO A 32 -5.637 2.383 3.217 1.00 0.00 N ATOM 260 CA PRO A 32 -6.552 3.413 3.710 1.00 0.00 C ATOM 261 C PRO A 32 -5.988 4.157 4.916 1.00 0.00 C ATOM 262 O PRO A 32 -5.946 3.621 6.024 1.00 0.00 O ATOM 263 CB PRO A 32 -7.814 2.626 4.112 1.00 0.00 C ATOM 264 CG PRO A 32 -7.556 1.201 3.729 1.00 0.00 C ATOM 265 CD PRO A 32 -6.066 1.047 3.634 1.00 0.00 C ATOM 0 HA PRO A 32 -6.737 4.179 2.957 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.003 2.714 5.182 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.695 3.014 3.600 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.970 0.519 4.472 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.032 0.963 2.778 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.626 0.759 4.589 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.782 0.284 2.909 1.00 0.00 H new ATOM 273 N CYS A 33 -5.561 5.397 4.697 1.00 0.00 N ATOM 274 CA CYS A 33 -5.006 6.213 5.771 1.00 0.00 C ATOM 275 C CYS A 33 -6.122 6.834 6.605 1.00 0.00 C ATOM 276 O CYS A 33 -7.121 7.310 6.065 1.00 0.00 O ATOM 277 CB CYS A 33 -4.105 7.308 5.197 1.00 0.00 C ATOM 278 SG CYS A 33 -2.526 7.493 6.060 1.00 0.00 S ATOM 0 H CYS A 33 -5.589 5.858 3.787 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.408 5.569 6.416 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.910 7.090 4.147 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.639 8.258 5.231 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.834 8.441 5.500 1.00 0.00 H new ATOM 284 N GLY A 34 -5.947 6.822 7.924 1.00 0.00 N ATOM 285 CA GLY A 34 -6.947 7.381 8.820 1.00 0.00 C ATOM 286 C GLY A 34 -7.444 8.746 8.379 1.00 0.00 C ATOM 287 O GLY A 34 -8.620 9.068 8.544 1.00 0.00 O ATOM 0 H GLY A 34 -5.127 6.434 8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.793 6.696 8.884 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.525 7.461 9.822 1.00 0.00 H new ATOM 291 N ASP A 35 -6.546 9.550 7.819 1.00 0.00 N ATOM 292 CA ASP A 35 -6.904 10.887 7.358 1.00 0.00 C ATOM 293 C ASP A 35 -6.014 11.323 6.198 1.00 0.00 C ATOM 294 O ASP A 35 -6.496 11.855 5.199 1.00 0.00 O ATOM 295 CB ASP A 35 -6.793 11.892 8.506 1.00 0.00 C ATOM 296 CG ASP A 35 -8.096 12.045 9.268 1.00 0.00 C ATOM 297 OD1 ASP A 35 -9.110 12.417 8.641 1.00 0.00 O ATOM 298 OD2 ASP A 35 -8.100 11.793 10.491 1.00 0.00 O ATOM 0 H ASP A 35 -5.568 9.300 7.674 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.936 10.857 7.008 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.009 11.571 9.192 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.491 12.861 8.109 1.00 0.00 H new ATOM 303 N GLY A 36 -4.714 11.095 6.340 1.00 0.00 N ATOM 304 CA GLY A 36 -3.776 11.469 5.296 1.00 0.00 C ATOM 305 C GLY A 36 -2.698 12.419 5.787 1.00 0.00 C ATOM 306 O GLY A 36 -1.983 13.020 4.986 1.00 0.00 O ATOM 0 H GLY A 36 -4.292 10.658 7.159 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.307 10.570 4.896 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.320 11.937 4.475 1.00 0.00 H new ATOM 310 N ARG A 37 -2.578 12.557 7.105 1.00 0.00 N ATOM 311 CA ARG A 37 -1.588 13.431 7.696 1.00 0.00 C ATOM 312 C ARG A 37 -0.375 12.610 8.156 1.00 0.00 C ATOM 313 O ARG A 37 0.321 12.964 9.105 1.00 0.00 O ATOM 314 CB ARG A 37 -2.239 14.200 8.856 1.00 0.00 C ATOM 315 CG ARG A 37 -1.273 14.680 9.917 1.00 0.00 C ATOM 316 CD ARG A 37 -1.831 15.863 10.690 1.00 0.00 C ATOM 317 NE ARG A 37 -1.494 17.137 10.060 1.00 0.00 N ATOM 318 CZ ARG A 37 -0.292 17.705 10.132 1.00 0.00 C ATOM 319 NH1 ARG A 37 0.688 17.118 10.809 1.00 0.00 N ATOM 320 NH2 ARG A 37 -0.069 18.863 9.525 1.00 0.00 N ATOM 0 H ARG A 37 -3.163 12.067 7.782 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.228 14.154 6.964 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.770 15.061 8.450 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.985 13.559 9.326 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.055 13.865 10.607 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.330 14.963 9.450 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.915 15.770 10.763 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.441 15.848 11.708 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.222 17.620 9.534 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.522 16.227 11.277 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.607 17.558 10.861 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.818 19.318 9.003 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.852 19.299 9.580 1.00 0.00 H new ATOM 334 N MET A 38 -0.126 11.507 7.458 1.00 0.00 N ATOM 335 CA MET A 38 0.996 10.634 7.780 1.00 0.00 C ATOM 336 C MET A 38 2.080 10.740 6.717 1.00 0.00 C ATOM 337 O MET A 38 1.796 11.023 5.553 1.00 0.00 O ATOM 338 CB MET A 38 0.527 9.183 7.898 1.00 0.00 C ATOM 339 CG MET A 38 1.498 8.290 8.650 1.00 0.00 C ATOM 340 SD MET A 38 0.672 6.936 9.512 1.00 0.00 S ATOM 341 CE MET A 38 -0.331 6.257 8.192 1.00 0.00 C ATOM 0 H MET A 38 -0.687 11.197 6.665 1.00 0.00 H new ATOM 0 HA MET A 38 1.410 10.952 8.737 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.439 9.162 8.403 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.373 8.777 6.898 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.225 7.880 7.949 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.053 8.890 9.371 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.380 6.486 8.378 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.027 6.695 7.242 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.197 5.176 8.153 1.00 0.00 H new ATOM 351 N LYS A 39 3.321 10.504 7.120 1.00 0.00 N ATOM 352 CA LYS A 39 4.444 10.569 6.198 1.00 0.00 C ATOM 353 C LYS A 39 4.495 9.319 5.325 1.00 0.00 C ATOM 354 O LYS A 39 4.173 8.217 5.777 1.00 0.00 O ATOM 355 CB LYS A 39 5.758 10.731 6.967 1.00 0.00 C ATOM 356 CG LYS A 39 6.466 12.047 6.690 1.00 0.00 C ATOM 357 CD LYS A 39 7.967 11.925 6.899 1.00 0.00 C ATOM 358 CE LYS A 39 8.370 12.352 8.300 1.00 0.00 C ATOM 359 NZ LYS A 39 9.734 12.949 8.328 1.00 0.00 N ATOM 0 H LYS A 39 3.574 10.266 8.079 1.00 0.00 H new ATOM 0 HA LYS A 39 4.307 11.437 5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.556 10.654 8.035 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.424 9.908 6.709 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.264 12.362 5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.068 12.821 7.346 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.277 10.894 6.728 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.489 12.540 6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.649 13.076 8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.337 11.490 8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.971 13.227 9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.426 12.250 7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.759 13.787 7.713 1.00 0.00 H new ATOM 373 N VAL A 40 4.902 9.492 4.072 1.00 0.00 N ATOM 374 CA VAL A 40 4.994 8.373 3.141 1.00 0.00 C ATOM 375 C VAL A 40 5.726 7.197 3.778 1.00 0.00 C ATOM 376 O VAL A 40 5.325 6.046 3.620 1.00 0.00 O ATOM 377 CB VAL A 40 5.717 8.777 1.841 1.00 0.00 C ATOM 378 CG1 VAL A 40 5.765 7.610 0.864 1.00 0.00 C ATOM 379 CG2 VAL A 40 5.043 9.985 1.206 1.00 0.00 C ATOM 0 H VAL A 40 5.173 10.393 3.679 1.00 0.00 H new ATOM 0 HA VAL A 40 3.974 8.076 2.896 1.00 0.00 H new ATOM 0 HB VAL A 40 6.742 9.050 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.280 7.918 -0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.300 6.776 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.750 7.299 0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.568 10.255 0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.006 9.742 0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.071 10.824 1.901 1.00 0.00 H new ATOM 389 N PHE A 41 6.799 7.499 4.508 1.00 0.00 N ATOM 390 CA PHE A 41 7.588 6.468 5.176 1.00 0.00 C ATOM 391 C PHE A 41 6.693 5.538 5.988 1.00 0.00 C ATOM 392 O PHE A 41 6.863 4.319 5.964 1.00 0.00 O ATOM 393 CB PHE A 41 8.638 7.113 6.085 1.00 0.00 C ATOM 394 CG PHE A 41 9.485 6.119 6.828 1.00 0.00 C ATOM 395 CD1 PHE A 41 10.002 5.008 6.180 1.00 0.00 C ATOM 396 CD2 PHE A 41 9.765 6.298 8.173 1.00 0.00 C ATOM 397 CE1 PHE A 41 10.783 4.093 6.862 1.00 0.00 C ATOM 398 CE2 PHE A 41 10.543 5.386 8.859 1.00 0.00 C ATOM 399 CZ PHE A 41 11.053 4.283 8.202 1.00 0.00 C ATOM 0 H PHE A 41 7.141 8.449 4.651 1.00 0.00 H new ATOM 0 HA PHE A 41 8.093 5.877 4.412 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.285 7.750 5.483 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.135 7.759 6.805 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.793 4.855 5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.371 7.160 8.691 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.181 3.231 6.347 1.00 0.00 H new ATOM 0 HE2 PHE A 41 10.752 5.535 9.908 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.663 3.570 8.737 1.00 0.00 H new ATOM 409 N SER A 42 5.734 6.121 6.698 1.00 0.00 N ATOM 410 CA SER A 42 4.809 5.340 7.505 1.00 0.00 C ATOM 411 C SER A 42 3.863 4.554 6.607 1.00 0.00 C ATOM 412 O SER A 42 3.456 3.439 6.936 1.00 0.00 O ATOM 413 CB SER A 42 4.012 6.253 8.441 1.00 0.00 C ATOM 414 OG SER A 42 4.504 6.176 9.768 1.00 0.00 O ATOM 0 H SER A 42 5.578 7.129 6.730 1.00 0.00 H new ATOM 0 HA SER A 42 5.384 4.639 8.111 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.070 7.282 8.087 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.960 5.969 8.423 1.00 0.00 H new ATOM 0 HG SER A 42 3.980 6.769 10.346 1.00 0.00 H new ATOM 420 N LEU A 43 3.523 5.141 5.464 1.00 0.00 N ATOM 421 CA LEU A 43 2.631 4.493 4.513 1.00 0.00 C ATOM 422 C LEU A 43 3.311 3.291 3.872 1.00 0.00 C ATOM 423 O LEU A 43 2.686 2.251 3.660 1.00 0.00 O ATOM 424 CB LEU A 43 2.190 5.480 3.431 1.00 0.00 C ATOM 425 CG LEU A 43 1.156 4.937 2.443 1.00 0.00 C ATOM 426 CD1 LEU A 43 -0.248 5.338 2.864 1.00 0.00 C ATOM 427 CD2 LEU A 43 1.454 5.428 1.033 1.00 0.00 C ATOM 0 H LEU A 43 3.852 6.062 5.175 1.00 0.00 H new ATOM 0 HA LEU A 43 1.750 4.149 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.778 6.366 3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.070 5.801 2.873 1.00 0.00 H new ATOM 0 HG LEU A 43 1.216 3.849 2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.969 4.942 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.460 4.935 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.323 6.425 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.708 5.031 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.424 6.517 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.444 5.087 0.731 1.00 0.00 H new ATOM 439 N ILE A 44 4.598 3.435 3.569 1.00 0.00 N ATOM 440 CA ILE A 44 5.357 2.355 2.959 1.00 0.00 C ATOM 441 C ILE A 44 5.434 1.155 3.894 1.00 0.00 C ATOM 442 O ILE A 44 5.127 0.032 3.503 1.00 0.00 O ATOM 443 CB ILE A 44 6.783 2.798 2.585 1.00 0.00 C ATOM 444 CG1 ILE A 44 6.731 4.091 1.769 1.00 0.00 C ATOM 445 CG2 ILE A 44 7.494 1.692 1.818 1.00 0.00 C ATOM 446 CD1 ILE A 44 7.986 4.369 0.967 1.00 0.00 C ATOM 0 H ILE A 44 5.133 4.287 3.736 1.00 0.00 H new ATOM 0 HA ILE A 44 4.831 2.075 2.046 1.00 0.00 H new ATOM 0 HB ILE A 44 7.349 2.992 3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.881 4.044 1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.552 4.927 2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.501 2.018 1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.550 0.797 2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.940 1.467 0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.867 5.303 0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.838 4.451 1.642 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.157 3.554 0.264 1.00 0.00 H new ATOM 458 N GLN A 45 5.845 1.403 5.132 1.00 0.00 N ATOM 459 CA GLN A 45 5.959 0.339 6.124 1.00 0.00 C ATOM 460 C GLN A 45 4.619 -0.363 6.325 1.00 0.00 C ATOM 461 O GLN A 45 4.568 -1.578 6.519 1.00 0.00 O ATOM 462 CB GLN A 45 6.462 0.904 7.454 1.00 0.00 C ATOM 463 CG GLN A 45 7.704 0.203 7.980 1.00 0.00 C ATOM 464 CD GLN A 45 8.958 0.588 7.220 1.00 0.00 C ATOM 465 OE1 GLN A 45 9.671 1.516 7.607 1.00 0.00 O ATOM 466 NE2 GLN A 45 9.234 -0.122 6.134 1.00 0.00 N ATOM 0 H GLN A 45 6.104 2.329 5.473 1.00 0.00 H new ATOM 0 HA GLN A 45 6.678 -0.393 5.756 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.678 1.965 7.330 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.668 0.825 8.197 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.834 0.446 9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.562 -0.876 7.916 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.615 -0.882 5.851 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.065 0.092 5.582 1.00 0.00 H new ATOM 475 N GLN A 46 3.538 0.408 6.276 1.00 0.00 N ATOM 476 CA GLN A 46 2.200 -0.146 6.453 1.00 0.00 C ATOM 477 C GLN A 46 1.814 -1.027 5.268 1.00 0.00 C ATOM 478 O GLN A 46 1.334 -2.149 5.445 1.00 0.00 O ATOM 479 CB GLN A 46 1.178 0.982 6.622 1.00 0.00 C ATOM 480 CG GLN A 46 0.588 1.065 8.021 1.00 0.00 C ATOM 481 CD GLN A 46 -0.172 -0.189 8.406 1.00 0.00 C ATOM 482 OE1 GLN A 46 -0.834 -0.808 7.572 1.00 0.00 O ATOM 483 NE2 GLN A 46 -0.082 -0.570 9.674 1.00 0.00 N ATOM 0 H GLN A 46 3.561 1.415 6.116 1.00 0.00 H new ATOM 0 HA GLN A 46 2.204 -0.762 7.352 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.655 1.932 6.381 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.370 0.840 5.904 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.389 1.236 8.740 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.081 1.924 8.079 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.478 -0.027 10.331 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.573 -1.406 9.991 1.00 0.00 H new ATOM 492 N ALA A 47 2.024 -0.514 4.060 1.00 0.00 N ATOM 493 CA ALA A 47 1.697 -1.253 2.847 1.00 0.00 C ATOM 494 C ALA A 47 2.589 -2.482 2.688 1.00 0.00 C ATOM 495 O ALA A 47 2.120 -3.553 2.304 1.00 0.00 O ATOM 496 CB ALA A 47 1.811 -0.343 1.632 1.00 0.00 C ATOM 0 H ALA A 47 2.420 0.412 3.896 1.00 0.00 H new ATOM 0 HA ALA A 47 0.668 -1.602 2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.565 -0.906 0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.120 0.493 1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.830 0.036 1.555 1.00 0.00 H new ATOM 502 N VAL A 48 3.874 -2.322 2.989 1.00 0.00 N ATOM 503 CA VAL A 48 4.826 -3.421 2.882 1.00 0.00 C ATOM 504 C VAL A 48 4.398 -4.590 3.763 1.00 0.00 C ATOM 505 O VAL A 48 4.369 -5.739 3.320 1.00 0.00 O ATOM 506 CB VAL A 48 6.250 -2.980 3.279 1.00 0.00 C ATOM 507 CG1 VAL A 48 7.221 -4.149 3.201 1.00 0.00 C ATOM 508 CG2 VAL A 48 6.719 -1.835 2.395 1.00 0.00 C ATOM 0 H VAL A 48 4.279 -1.442 3.309 1.00 0.00 H new ATOM 0 HA VAL A 48 4.838 -3.735 1.838 1.00 0.00 H new ATOM 0 HB VAL A 48 6.223 -2.631 4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.218 -3.813 3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.896 -4.938 3.880 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.245 -4.535 2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.725 -1.537 2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.726 -2.158 1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.042 -0.988 2.507 1.00 0.00 H new ATOM 518 N THR A 49 4.061 -4.289 5.012 1.00 0.00 N ATOM 519 CA THR A 49 3.627 -5.314 5.954 1.00 0.00 C ATOM 520 C THR A 49 2.399 -6.045 5.423 1.00 0.00 C ATOM 521 O THR A 49 2.339 -7.275 5.440 1.00 0.00 O ATOM 522 CB THR A 49 3.315 -4.690 7.315 1.00 0.00 C ATOM 523 OG1 THR A 49 4.421 -3.944 7.791 1.00 0.00 O ATOM 524 CG2 THR A 49 2.961 -5.711 8.375 1.00 0.00 C ATOM 0 H THR A 49 4.080 -3.344 5.396 1.00 0.00 H new ATOM 0 HA THR A 49 4.438 -6.033 6.073 1.00 0.00 H new ATOM 0 HB THR A 49 2.449 -4.049 7.146 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.301 -2.999 7.561 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.751 -5.201 9.315 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.080 -6.271 8.061 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.797 -6.397 8.513 1.00 0.00 H new ATOM 532 N ARG A 50 1.422 -5.280 4.945 1.00 0.00 N ATOM 533 CA ARG A 50 0.196 -5.856 4.404 1.00 0.00 C ATOM 534 C ARG A 50 0.493 -6.680 3.155 1.00 0.00 C ATOM 535 O ARG A 50 -0.161 -7.691 2.896 1.00 0.00 O ATOM 536 CB ARG A 50 -0.809 -4.752 4.074 1.00 0.00 C ATOM 537 CG ARG A 50 -2.229 -5.262 3.882 1.00 0.00 C ATOM 538 CD ARG A 50 -2.853 -5.684 5.202 1.00 0.00 C ATOM 539 NE ARG A 50 -3.320 -4.538 5.979 1.00 0.00 N ATOM 540 CZ ARG A 50 -3.814 -4.629 7.211 1.00 0.00 C ATOM 541 NH1 ARG A 50 -3.908 -5.810 7.810 1.00 0.00 N ATOM 542 NH2 ARG A 50 -4.217 -3.537 7.847 1.00 0.00 N ATOM 0 H ARG A 50 1.456 -4.261 4.921 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.234 -6.513 5.160 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.802 -4.014 4.876 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.489 -4.240 3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.838 -4.483 3.423 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.223 -6.108 3.194 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.689 -6.356 5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.122 -6.244 5.786 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.264 -3.614 5.552 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.601 -6.653 7.326 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.287 -5.874 8.755 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.148 -2.627 7.392 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.596 -3.607 8.791 1.00 0.00 H new ATOM 556 N TYR A 51 1.484 -6.243 2.385 1.00 0.00 N ATOM 557 CA TYR A 51 1.871 -6.941 1.164 1.00 0.00 C ATOM 558 C TYR A 51 2.298 -8.373 1.474 1.00 0.00 C ATOM 559 O TYR A 51 1.738 -9.326 0.936 1.00 0.00 O ATOM 560 CB TYR A 51 3.005 -6.184 0.460 1.00 0.00 C ATOM 561 CG TYR A 51 3.734 -6.996 -0.590 1.00 0.00 C ATOM 562 CD1 TYR A 51 3.067 -7.485 -1.706 1.00 0.00 C ATOM 563 CD2 TYR A 51 5.088 -7.274 -0.460 1.00 0.00 C ATOM 564 CE1 TYR A 51 3.731 -8.230 -2.663 1.00 0.00 C ATOM 565 CE2 TYR A 51 5.760 -8.016 -1.414 1.00 0.00 C ATOM 566 CZ TYR A 51 5.076 -8.491 -2.512 1.00 0.00 C ATOM 567 OH TYR A 51 5.741 -9.231 -3.464 1.00 0.00 O ATOM 0 H TYR A 51 2.034 -5.408 2.585 1.00 0.00 H new ATOM 0 HA TYR A 51 1.009 -6.979 0.499 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.594 -5.290 -0.009 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.723 -5.850 1.209 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.014 -7.280 -1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.626 -6.905 0.401 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.199 -8.605 -3.524 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.814 -8.222 -1.299 1.00 0.00 H new ATOM 0 HH TYR A 51 5.321 -9.092 -4.338 1.00 0.00 H new ATOM 577 N ARG A 52 3.293 -8.516 2.345 1.00 0.00 N ATOM 578 CA ARG A 52 3.793 -9.833 2.725 1.00 0.00 C ATOM 579 C ARG A 52 2.672 -10.694 3.301 1.00 0.00 C ATOM 580 O ARG A 52 2.590 -11.891 3.022 1.00 0.00 O ATOM 581 CB ARG A 52 4.924 -9.698 3.747 1.00 0.00 C ATOM 582 CG ARG A 52 6.037 -10.716 3.559 1.00 0.00 C ATOM 583 CD ARG A 52 7.027 -10.687 4.714 1.00 0.00 C ATOM 584 NE ARG A 52 7.352 -9.324 5.131 1.00 0.00 N ATOM 585 CZ ARG A 52 6.695 -8.657 6.080 1.00 0.00 C ATOM 586 NH1 ARG A 52 5.674 -9.220 6.715 1.00 0.00 N ATOM 587 NH2 ARG A 52 7.063 -7.424 6.395 1.00 0.00 N ATOM 0 H ARG A 52 3.768 -7.737 2.800 1.00 0.00 H new ATOM 0 HA ARG A 52 4.179 -10.320 1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.345 -8.695 3.680 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.511 -9.804 4.750 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.607 -11.714 3.473 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.561 -10.514 2.625 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.611 -11.234 5.560 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.941 -11.202 4.419 1.00 0.00 H new ATOM 0 HE ARG A 52 8.130 -8.854 4.667 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.387 -10.170 6.478 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.177 -8.703 7.440 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.848 -6.987 5.912 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.562 -6.912 7.121 1.00 0.00 H new ATOM 601 N LYS A 53 1.815 -10.077 4.107 1.00 0.00 N ATOM 602 CA LYS A 53 0.700 -10.786 4.725 1.00 0.00 C ATOM 603 C LYS A 53 -0.379 -11.121 3.698 1.00 0.00 C ATOM 604 O LYS A 53 -1.095 -12.112 3.839 1.00 0.00 O ATOM 605 CB LYS A 53 0.102 -9.949 5.857 1.00 0.00 C ATOM 606 CG LYS A 53 1.014 -9.821 7.066 1.00 0.00 C ATOM 607 CD LYS A 53 1.339 -11.180 7.666 1.00 0.00 C ATOM 608 CE LYS A 53 2.745 -11.629 7.305 1.00 0.00 C ATOM 609 NZ LYS A 53 2.962 -13.073 7.601 1.00 0.00 N ATOM 0 H LYS A 53 1.871 -9.087 4.348 1.00 0.00 H new ATOM 0 HA LYS A 53 1.083 -11.721 5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.128 -8.953 5.479 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.841 -10.397 6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.938 -9.320 6.775 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.536 -9.195 7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.239 -11.133 8.750 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.619 -11.917 7.311 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.924 -11.445 6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.470 -11.032 7.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.980 -13.285 7.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.593 -13.293 8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.465 -13.651 6.893 1.00 0.00 H new ATOM 623 N ALA A 54 -0.491 -10.287 2.667 1.00 0.00 N ATOM 624 CA ALA A 54 -1.485 -10.499 1.622 1.00 0.00 C ATOM 625 C ALA A 54 -0.983 -11.488 0.575 1.00 0.00 C ATOM 626 O ALA A 54 -1.767 -12.220 -0.029 1.00 0.00 O ATOM 627 CB ALA A 54 -1.849 -9.174 0.966 1.00 0.00 C ATOM 0 H ALA A 54 0.093 -9.461 2.534 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.376 -10.923 2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.592 -9.346 0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.259 -8.497 1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.957 -8.729 0.525 1.00 0.00 H new ATOM 633 N VAL A 55 0.329 -11.504 0.364 1.00 0.00 N ATOM 634 CA VAL A 55 0.938 -12.401 -0.608 1.00 0.00 C ATOM 635 C VAL A 55 1.218 -13.778 -0.005 1.00 0.00 C ATOM 636 O VAL A 55 1.680 -14.684 -0.698 1.00 0.00 O ATOM 637 CB VAL A 55 2.252 -11.817 -1.161 1.00 0.00 C ATOM 638 CG1 VAL A 55 3.287 -11.677 -0.054 1.00 0.00 C ATOM 639 CG2 VAL A 55 2.787 -12.678 -2.295 1.00 0.00 C ATOM 0 H VAL A 55 0.991 -10.904 0.855 1.00 0.00 H new ATOM 0 HA VAL A 55 0.222 -12.511 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 55 2.044 -10.823 -1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.207 -11.263 -0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.904 -11.011 0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.492 -12.656 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.715 -12.248 -2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.977 -13.687 -1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.053 -12.717 -3.100 1.00 0.00 H new ATOM 649 N ALA A 56 0.934 -13.932 1.289 1.00 0.00 N ATOM 650 CA ALA A 56 1.156 -15.200 1.977 1.00 0.00 C ATOM 651 C ALA A 56 2.646 -15.480 2.156 1.00 0.00 C ATOM 652 O ALA A 56 3.080 -16.629 2.104 1.00 0.00 O ATOM 653 CB ALA A 56 0.486 -16.340 1.221 1.00 0.00 C ATOM 0 H ALA A 56 0.550 -13.194 1.879 1.00 0.00 H new ATOM 0 HA ALA A 56 0.708 -15.126 2.968 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.661 -17.278 1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.586 -16.154 1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.903 -16.405 0.216 1.00 0.00 H new ATOM 659 N LYS A 57 3.423 -14.422 2.374 1.00 0.00 N ATOM 660 CA LYS A 57 4.862 -14.559 2.566 1.00 0.00 C ATOM 661 C LYS A 57 5.226 -14.432 4.042 1.00 0.00 C ATOM 662 O LYS A 57 4.351 -14.324 4.901 1.00 0.00 O ATOM 663 CB LYS A 57 5.614 -13.506 1.753 1.00 0.00 C ATOM 664 CG LYS A 57 5.967 -13.963 0.348 1.00 0.00 C ATOM 665 CD LYS A 57 6.094 -12.784 -0.602 1.00 0.00 C ATOM 666 CE LYS A 57 7.297 -12.932 -1.519 1.00 0.00 C ATOM 667 NZ LYS A 57 7.249 -11.974 -2.658 1.00 0.00 N ATOM 0 H LYS A 57 3.080 -13.463 2.422 1.00 0.00 H new ATOM 0 HA LYS A 57 5.155 -15.550 2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.006 -12.604 1.691 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.530 -13.237 2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.905 -14.518 0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.200 -14.646 -0.018 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.187 -12.699 -1.201 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.184 -11.862 -0.028 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.211 -12.771 -0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.337 -13.951 -1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.087 -12.107 -3.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.390 -12.144 -3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.237 -11.000 -2.292 1.00 0.00 H new ATOM 681 N ASP A 58 6.523 -14.445 4.329 1.00 0.00 N ATOM 682 CA ASP A 58 7.002 -14.329 5.700 1.00 0.00 C ATOM 683 C ASP A 58 8.367 -13.643 5.742 1.00 0.00 C ATOM 684 O ASP A 58 8.949 -13.337 4.701 1.00 0.00 O ATOM 685 CB ASP A 58 7.088 -15.712 6.349 1.00 0.00 C ATOM 686 CG ASP A 58 5.950 -15.968 7.320 1.00 0.00 C ATOM 687 OD1 ASP A 58 5.373 -14.984 7.831 1.00 0.00 O ATOM 688 OD2 ASP A 58 5.635 -17.151 7.565 1.00 0.00 O ATOM 0 H ASP A 58 7.261 -14.535 3.630 1.00 0.00 H new ATOM 0 HA ASP A 58 6.293 -13.718 6.259 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.078 -16.476 5.572 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.038 -15.805 6.875 1.00 0.00 H new ATOM 693 N PRO A 59 8.897 -13.391 6.952 1.00 0.00 N ATOM 694 CA PRO A 59 10.200 -12.735 7.128 1.00 0.00 C ATOM 695 C PRO A 59 11.356 -13.553 6.552 1.00 0.00 C ATOM 696 O PRO A 59 12.478 -13.059 6.441 1.00 0.00 O ATOM 697 CB PRO A 59 10.346 -12.609 8.651 1.00 0.00 C ATOM 698 CG PRO A 59 8.968 -12.789 9.194 1.00 0.00 C ATOM 699 CD PRO A 59 8.270 -13.717 8.242 1.00 0.00 C ATOM 0 HA PRO A 59 10.238 -11.781 6.602 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.026 -13.364 9.045 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.754 -11.637 8.928 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.996 -13.209 10.199 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.447 -11.834 9.262 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.420 -14.762 8.512 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.194 -13.544 8.224 1.00 0.00 H new ATOM 707 N ASN A 60 11.080 -14.806 6.193 1.00 0.00 N ATOM 708 CA ASN A 60 12.099 -15.694 5.635 1.00 0.00 C ATOM 709 C ASN A 60 12.943 -14.986 4.575 1.00 0.00 C ATOM 710 O ASN A 60 14.133 -15.267 4.431 1.00 0.00 O ATOM 711 CB ASN A 60 11.444 -16.935 5.031 1.00 0.00 C ATOM 712 CG ASN A 60 10.398 -16.589 3.989 1.00 0.00 C ATOM 713 OD1 ASN A 60 9.248 -16.301 4.319 1.00 0.00 O ATOM 714 ND2 ASN A 60 10.795 -16.616 2.722 1.00 0.00 N ATOM 0 H ASN A 60 10.156 -15.230 6.279 1.00 0.00 H new ATOM 0 HA ASN A 60 12.760 -15.991 6.449 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.211 -17.563 4.577 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.981 -17.521 5.825 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.136 -16.392 1.976 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.759 -16.860 2.495 1.00 0.00 H new ATOM 721 N TYR A 61 12.324 -14.069 3.838 1.00 0.00 N ATOM 722 CA TYR A 61 13.027 -13.328 2.795 1.00 0.00 C ATOM 723 C TYR A 61 13.080 -11.838 3.125 1.00 0.00 C ATOM 724 O TYR A 61 12.144 -11.288 3.705 1.00 0.00 O ATOM 725 CB TYR A 61 12.356 -13.555 1.434 1.00 0.00 C ATOM 726 CG TYR A 61 11.150 -12.673 1.177 1.00 0.00 C ATOM 727 CD1 TYR A 61 10.009 -12.775 1.961 1.00 0.00 C ATOM 728 CD2 TYR A 61 11.159 -11.736 0.152 1.00 0.00 C ATOM 729 CE1 TYR A 61 8.910 -11.971 1.732 1.00 0.00 C ATOM 730 CE2 TYR A 61 10.064 -10.928 -0.085 1.00 0.00 C ATOM 731 CZ TYR A 61 8.942 -11.049 0.707 1.00 0.00 C ATOM 732 OH TYR A 61 7.849 -10.246 0.474 1.00 0.00 O ATOM 0 H TYR A 61 11.340 -13.821 3.943 1.00 0.00 H new ATOM 0 HA TYR A 61 14.051 -13.699 2.745 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.091 -13.384 0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.050 -14.599 1.363 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.980 -13.496 2.764 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.036 -11.637 -0.470 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.031 -12.064 2.352 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.087 -10.205 -0.887 1.00 0.00 H new ATOM 0 HH TYR A 61 8.035 -9.651 -0.282 1.00 0.00 H new ATOM 742 N TRP A 62 14.179 -11.188 2.751 1.00 0.00 N ATOM 743 CA TRP A 62 14.345 -9.763 3.010 1.00 0.00 C ATOM 744 C TRP A 62 13.541 -8.938 2.012 1.00 0.00 C ATOM 745 O TRP A 62 13.266 -9.394 0.899 1.00 0.00 O ATOM 746 CB TRP A 62 15.827 -9.371 2.947 1.00 0.00 C ATOM 747 CG TRP A 62 16.269 -8.868 1.602 1.00 0.00 C ATOM 748 CD1 TRP A 62 16.142 -9.514 0.407 1.00 0.00 C ATOM 749 CD2 TRP A 62 16.891 -7.610 1.312 1.00 0.00 C ATOM 750 NE1 TRP A 62 16.661 -8.747 -0.604 1.00 0.00 N ATOM 751 CE2 TRP A 62 17.125 -7.572 -0.076 1.00 0.00 C ATOM 752 CE3 TRP A 62 17.276 -6.517 2.089 1.00 0.00 C ATOM 753 CZ2 TRP A 62 17.728 -6.484 -0.700 1.00 0.00 C ATOM 754 CZ3 TRP A 62 17.871 -5.436 1.468 1.00 0.00 C ATOM 755 CH2 TRP A 62 18.092 -5.426 0.086 1.00 0.00 C ATOM 0 H TRP A 62 14.965 -11.625 2.269 1.00 0.00 H new ATOM 0 HA TRP A 62 13.972 -9.556 4.013 1.00 0.00 H new ATOM 0 HB2 TRP A 62 16.021 -8.600 3.693 1.00 0.00 H new ATOM 0 HB3 TRP A 62 16.433 -10.236 3.217 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.697 -10.489 0.276 1.00 0.00 H new ATOM 0 HE1 TRP A 62 16.696 -9.009 -1.589 1.00 0.00 H new ATOM 0 HE3 TRP A 62 17.112 -6.516 3.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.902 -6.476 -1.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 18.171 -4.584 2.059 1.00 0.00 H new ATOM 0 HH2 TRP A 62 18.560 -4.565 -0.369 1.00 0.00 H new ATOM 766 N ILE A 63 13.182 -7.723 2.414 1.00 0.00 N ATOM 767 CA ILE A 63 12.422 -6.823 1.558 1.00 0.00 C ATOM 768 C ILE A 63 12.898 -5.382 1.720 1.00 0.00 C ATOM 769 O ILE A 63 12.690 -4.763 2.764 1.00 0.00 O ATOM 770 CB ILE A 63 10.911 -6.887 1.867 1.00 0.00 C ATOM 771 CG1 ILE A 63 10.415 -8.331 1.794 1.00 0.00 C ATOM 772 CG2 ILE A 63 10.127 -6.006 0.904 1.00 0.00 C ATOM 773 CD1 ILE A 63 9.041 -8.528 2.395 1.00 0.00 C ATOM 0 H ILE A 63 13.407 -7.339 3.332 1.00 0.00 H new ATOM 0 HA ILE A 63 12.589 -7.150 0.532 1.00 0.00 H new ATOM 0 HB ILE A 63 10.751 -6.514 2.879 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.396 -8.648 0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.125 -8.977 2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.064 -6.066 1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.463 -4.973 1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.292 -6.347 -0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.753 -9.576 2.308 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.060 -8.242 3.447 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.319 -7.908 1.863 1.00 0.00 H new ATOM 785 N GLN A 64 13.531 -4.853 0.680 1.00 0.00 N ATOM 786 CA GLN A 64 14.030 -3.482 0.702 1.00 0.00 C ATOM 787 C GLN A 64 13.155 -2.575 -0.155 1.00 0.00 C ATOM 788 O GLN A 64 13.169 -2.662 -1.383 1.00 0.00 O ATOM 789 CB GLN A 64 15.474 -3.434 0.206 1.00 0.00 C ATOM 790 CG GLN A 64 16.343 -2.441 0.962 1.00 0.00 C ATOM 791 CD GLN A 64 16.926 -1.369 0.061 1.00 0.00 C ATOM 792 OE1 GLN A 64 18.098 -1.012 0.179 1.00 0.00 O ATOM 793 NE2 GLN A 64 16.107 -0.849 -0.846 1.00 0.00 N ATOM 0 H GLN A 64 13.711 -5.353 -0.191 1.00 0.00 H new ATOM 0 HA GLN A 64 13.997 -3.125 1.731 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.913 -4.428 0.293 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.478 -3.175 -0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 64 15.750 -1.969 1.745 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.154 -2.976 1.455 1.00 0.00 H new ATOM 0 HE21 GLN A 64 15.143 -1.175 -0.909 1.00 0.00 H new ATOM 0 HE22 GLN A 64 16.443 -0.124 -1.480 1.00 0.00 H new ATOM 802 N VAL A 65 12.391 -1.708 0.500 1.00 0.00 N ATOM 803 CA VAL A 65 11.503 -0.788 -0.204 1.00 0.00 C ATOM 804 C VAL A 65 12.272 0.415 -0.741 1.00 0.00 C ATOM 805 O VAL A 65 12.569 1.355 -0.002 1.00 0.00 O ATOM 806 CB VAL A 65 10.361 -0.286 0.705 1.00 0.00 C ATOM 807 CG1 VAL A 65 9.179 0.181 -0.131 1.00 0.00 C ATOM 808 CG2 VAL A 65 9.932 -1.368 1.688 1.00 0.00 C ATOM 0 H VAL A 65 12.368 -1.622 1.516 1.00 0.00 H new ATOM 0 HA VAL A 65 11.072 -1.347 -1.035 1.00 0.00 H new ATOM 0 HB VAL A 65 10.732 0.563 1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.384 0.531 0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.494 0.995 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.811 -0.648 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.126 -0.989 2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.583 -2.242 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.780 -1.648 2.314 1.00 0.00 H new ATOM 818 N HIS A 66 12.591 0.381 -2.031 1.00 0.00 N ATOM 819 CA HIS A 66 13.324 1.470 -2.667 1.00 0.00 C ATOM 820 C HIS A 66 12.580 2.793 -2.517 1.00 0.00 C ATOM 821 O HIS A 66 13.071 3.726 -1.883 1.00 0.00 O ATOM 822 CB HIS A 66 13.555 1.166 -4.147 1.00 0.00 C ATOM 823 CG HIS A 66 14.334 -0.091 -4.387 1.00 0.00 C ATOM 824 ND1 HIS A 66 15.687 -0.197 -4.140 1.00 0.00 N ATOM 825 CD2 HIS A 66 13.942 -1.301 -4.852 1.00 0.00 C ATOM 826 CE1 HIS A 66 16.094 -1.417 -4.445 1.00 0.00 C ATOM 827 NE2 HIS A 66 15.054 -2.107 -4.879 1.00 0.00 N ATOM 0 H HIS A 66 12.353 -0.389 -2.656 1.00 0.00 H new ATOM 0 HA HIS A 66 14.289 1.560 -2.168 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.590 1.087 -4.648 1.00 0.00 H new ATOM 0 HB3 HIS A 66 14.083 2.003 -4.603 1.00 0.00 H new ATOM 0 HD2 HIS A 66 12.941 -1.580 -5.147 1.00 0.00 H new ATOM 0 HE1 HIS A 66 17.105 -1.787 -4.355 1.00 0.00 H new ATOM 0 HE2 HIS A 66 15.074 -3.080 -5.184 1.00 0.00 H new ATOM 836 N ARG A 67 11.393 2.864 -3.106 1.00 0.00 N ATOM 837 CA ARG A 67 10.579 4.074 -3.040 1.00 0.00 C ATOM 838 C ARG A 67 9.232 3.866 -3.729 1.00 0.00 C ATOM 839 O ARG A 67 8.904 2.756 -4.151 1.00 0.00 O ATOM 840 CB ARG A 67 11.318 5.248 -3.686 1.00 0.00 C ATOM 841 CG ARG A 67 11.521 5.092 -5.186 1.00 0.00 C ATOM 842 CD ARG A 67 12.903 5.554 -5.615 1.00 0.00 C ATOM 843 NE ARG A 67 12.882 6.906 -6.169 1.00 0.00 N ATOM 844 CZ ARG A 67 13.834 7.399 -6.959 1.00 0.00 C ATOM 845 NH1 ARG A 67 14.883 6.657 -7.292 1.00 0.00 N ATOM 846 NH2 ARG A 67 13.735 8.639 -7.420 1.00 0.00 N ATOM 0 H ARG A 67 10.972 2.100 -3.634 1.00 0.00 H new ATOM 0 HA ARG A 67 10.398 4.300 -1.989 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.760 6.165 -3.497 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.290 5.362 -3.207 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.383 4.048 -5.466 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.763 5.667 -5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.577 5.524 -4.759 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.301 4.864 -6.359 1.00 0.00 H new ATOM 0 HE ARG A 67 12.092 7.508 -5.937 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.964 5.702 -6.942 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.608 7.042 -7.898 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.930 9.214 -7.169 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.463 9.018 -8.025 1.00 0.00 H new ATOM 860 N LEU A 68 8.459 4.941 -3.841 1.00 0.00 N ATOM 861 CA LEU A 68 7.149 4.880 -4.480 1.00 0.00 C ATOM 862 C LEU A 68 7.057 5.887 -5.622 1.00 0.00 C ATOM 863 O LEU A 68 7.756 6.900 -5.626 1.00 0.00 O ATOM 864 CB LEU A 68 6.046 5.154 -3.455 1.00 0.00 C ATOM 865 CG LEU A 68 5.905 4.097 -2.358 1.00 0.00 C ATOM 866 CD1 LEU A 68 4.851 4.519 -1.344 1.00 0.00 C ATOM 867 CD2 LEU A 68 5.558 2.742 -2.962 1.00 0.00 C ATOM 0 H LEU A 68 8.717 5.866 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 68 7.016 3.878 -4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.238 6.119 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.095 5.239 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 68 6.861 4.006 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.764 3.756 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.143 5.465 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.891 4.639 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.462 2.003 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.615 2.816 -3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.348 2.436 -3.648 1.00 0.00 H new ATOM 879 N GLU A 69 6.192 5.603 -6.590 1.00 0.00 N ATOM 880 CA GLU A 69 6.013 6.486 -7.737 1.00 0.00 C ATOM 881 C GLU A 69 4.536 6.623 -8.096 1.00 0.00 C ATOM 882 O GLU A 69 3.780 5.654 -8.035 1.00 0.00 O ATOM 883 CB GLU A 69 6.794 5.957 -8.941 1.00 0.00 C ATOM 884 CG GLU A 69 6.863 6.938 -10.100 1.00 0.00 C ATOM 885 CD GLU A 69 7.690 6.414 -11.258 1.00 0.00 C ATOM 886 OE1 GLU A 69 7.158 5.611 -12.052 1.00 0.00 O ATOM 887 OE2 GLU A 69 8.871 6.807 -11.369 1.00 0.00 O ATOM 0 H GLU A 69 5.605 4.769 -6.603 1.00 0.00 H new ATOM 0 HA GLU A 69 6.395 7.471 -7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.807 5.708 -8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.332 5.032 -9.286 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.853 7.155 -10.448 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.289 7.879 -9.750 1.00 0.00 H new ATOM 894 N HIS A 70 4.132 7.832 -8.471 1.00 0.00 N ATOM 895 CA HIS A 70 2.746 8.094 -8.840 1.00 0.00 C ATOM 896 C HIS A 70 2.390 7.392 -10.147 1.00 0.00 C ATOM 897 O HIS A 70 1.347 6.746 -10.253 1.00 0.00 O ATOM 898 CB HIS A 70 2.505 9.599 -8.971 1.00 0.00 C ATOM 899 CG HIS A 70 1.864 10.209 -7.764 1.00 0.00 C ATOM 900 ND1 HIS A 70 0.672 9.760 -7.237 1.00 0.00 N ATOM 901 CD2 HIS A 70 2.257 11.239 -6.977 1.00 0.00 C ATOM 902 CE1 HIS A 70 0.358 10.488 -6.178 1.00 0.00 C ATOM 903 NE2 HIS A 70 1.305 11.393 -6.000 1.00 0.00 N ATOM 0 H HIS A 70 4.745 8.646 -8.527 1.00 0.00 H new ATOM 0 HA HIS A 70 2.105 7.700 -8.051 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.457 10.096 -9.157 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.874 9.783 -9.840 1.00 0.00 H new ATOM 0 HD1 HIS A 70 0.118 8.987 -7.606 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.153 11.830 -7.096 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.522 10.364 -5.564 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.325 12.092 -5.257 1.00 0.00 H new ATOM 912 N GLY A 71 3.262 7.523 -11.140 1.00 0.00 N ATOM 913 CA GLY A 71 3.021 6.895 -12.426 1.00 0.00 C ATOM 914 C GLY A 71 3.562 7.714 -13.582 1.00 0.00 C ATOM 915 O GLY A 71 4.680 7.485 -14.045 1.00 0.00 O ATOM 0 H GLY A 71 4.131 8.053 -11.078 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.483 5.908 -12.437 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.949 6.747 -12.560 1.00 0.00 H new ATOM 919 N ASP A 72 2.767 8.669 -14.051 1.00 0.00 N ATOM 920 CA ASP A 72 3.171 9.524 -15.160 1.00 0.00 C ATOM 921 C ASP A 72 3.734 10.847 -14.650 1.00 0.00 C ATOM 922 O ASP A 72 3.485 11.903 -15.229 1.00 0.00 O ATOM 923 CB ASP A 72 1.982 9.783 -16.090 1.00 0.00 C ATOM 924 CG ASP A 72 2.321 9.530 -17.545 1.00 0.00 C ATOM 925 OD1 ASP A 72 2.391 8.347 -17.942 1.00 0.00 O ATOM 926 OD2 ASP A 72 2.517 10.514 -18.290 1.00 0.00 O ATOM 0 H ASP A 72 1.838 8.870 -13.680 1.00 0.00 H new ATOM 0 HA ASP A 72 3.954 9.010 -15.718 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.149 9.144 -15.797 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.649 10.814 -15.971 1.00 0.00 H new ATOM 931 N GLY A 73 4.495 10.779 -13.563 1.00 0.00 N ATOM 932 CA GLY A 73 5.083 11.977 -12.991 1.00 0.00 C ATOM 933 C GLY A 73 4.560 12.272 -11.599 1.00 0.00 C ATOM 934 O GLY A 73 3.453 12.785 -11.440 1.00 0.00 O ATOM 0 H GLY A 73 4.715 9.915 -13.067 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.166 11.863 -12.952 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.875 12.826 -13.642 1.00 0.00 H new ATOM 938 N GLY A 74 5.360 11.948 -10.589 1.00 0.00 N ATOM 939 CA GLY A 74 4.956 12.189 -9.215 1.00 0.00 C ATOM 940 C GLY A 74 5.612 11.229 -8.243 1.00 0.00 C ATOM 941 O GLY A 74 4.929 10.518 -7.506 1.00 0.00 O ATOM 0 H GLY A 74 6.281 11.523 -10.697 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.211 13.212 -8.938 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.873 12.098 -9.136 1.00 0.00 H new ATOM 945 N ILE A 75 6.940 11.208 -8.240 1.00 0.00 N ATOM 946 CA ILE A 75 7.689 10.328 -7.350 1.00 0.00 C ATOM 947 C ILE A 75 7.360 10.612 -5.890 1.00 0.00 C ATOM 948 O ILE A 75 6.912 11.706 -5.546 1.00 0.00 O ATOM 949 CB ILE A 75 9.209 10.471 -7.558 1.00 0.00 C ATOM 950 CG1 ILE A 75 9.551 10.426 -9.052 1.00 0.00 C ATOM 951 CG2 ILE A 75 9.947 9.378 -6.800 1.00 0.00 C ATOM 952 CD1 ILE A 75 11.037 10.449 -9.338 1.00 0.00 C ATOM 0 H ILE A 75 7.520 11.790 -8.844 1.00 0.00 H new ATOM 0 HA ILE A 75 7.392 9.309 -7.596 1.00 0.00 H new ATOM 0 HB ILE A 75 9.529 11.437 -7.166 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.120 9.524 -9.487 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.081 11.275 -9.549 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.020 9.489 -6.954 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.723 9.458 -5.736 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.627 8.402 -7.165 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.201 10.415 -10.415 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.471 11.363 -8.934 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.511 9.585 -8.871 1.00 0.00 H new ATOM 964 N LEU A 76 7.586 9.622 -5.035 1.00 0.00 N ATOM 965 CA LEU A 76 7.315 9.764 -3.609 1.00 0.00 C ATOM 966 C LEU A 76 8.426 9.129 -2.779 1.00 0.00 C ATOM 967 O LEU A 76 8.734 7.947 -2.934 1.00 0.00 O ATOM 968 CB LEU A 76 5.970 9.126 -3.257 1.00 0.00 C ATOM 969 CG LEU A 76 4.816 9.487 -4.195 1.00 0.00 C ATOM 970 CD1 LEU A 76 4.752 8.513 -5.362 1.00 0.00 C ATOM 971 CD2 LEU A 76 3.498 9.500 -3.436 1.00 0.00 C ATOM 0 H LEU A 76 7.957 8.711 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 76 7.275 10.828 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.089 8.043 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.700 9.421 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 76 4.994 10.486 -4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.925 8.785 -6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.687 8.553 -5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.597 7.502 -4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.688 9.759 -4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.313 8.514 -3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.547 10.237 -2.635 1.00 0.00 H new ATOM 983 N ASP A 77 9.023 9.923 -1.897 1.00 0.00 N ATOM 984 CA ASP A 77 10.099 9.442 -1.040 1.00 0.00 C ATOM 985 C ASP A 77 9.579 9.125 0.357 1.00 0.00 C ATOM 986 O ASP A 77 8.369 9.061 0.580 1.00 0.00 O ATOM 987 CB ASP A 77 11.218 10.485 -0.958 1.00 0.00 C ATOM 988 CG ASP A 77 12.598 9.857 -0.990 1.00 0.00 C ATOM 989 OD1 ASP A 77 13.032 9.326 0.054 1.00 0.00 O ATOM 990 OD2 ASP A 77 13.242 9.896 -2.058 1.00 0.00 O ATOM 0 H ASP A 77 8.779 10.904 -1.757 1.00 0.00 H new ATOM 0 HA ASP A 77 10.497 8.526 -1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.121 11.184 -1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.106 11.063 -0.040 1.00 0.00 H new ATOM 995 N LEU A 78 10.497 8.925 1.297 1.00 0.00 N ATOM 996 CA LEU A 78 10.128 8.614 2.674 1.00 0.00 C ATOM 997 C LEU A 78 10.425 9.794 3.595 1.00 0.00 C ATOM 998 O LEU A 78 11.008 9.629 4.666 1.00 0.00 O ATOM 999 CB LEU A 78 10.878 7.371 3.158 1.00 0.00 C ATOM 1000 CG LEU A 78 11.097 6.289 2.099 1.00 0.00 C ATOM 1001 CD1 LEU A 78 12.413 6.513 1.371 1.00 0.00 C ATOM 1002 CD2 LEU A 78 11.066 4.907 2.735 1.00 0.00 C ATOM 0 H LEU A 78 11.502 8.973 1.131 1.00 0.00 H new ATOM 0 HA LEU A 78 9.057 8.415 2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.849 7.680 3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.327 6.935 3.991 1.00 0.00 H new ATOM 0 HG LEU A 78 10.288 6.351 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 78 12.552 5.734 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.397 7.487 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.235 6.479 2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.223 4.150 1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.854 4.834 3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.098 4.747 3.210 1.00 0.00 H new ATOM 1014 N ASP A 79 10.020 10.988 3.171 1.00 0.00 N ATOM 1015 CA ASP A 79 10.243 12.195 3.959 1.00 0.00 C ATOM 1016 C ASP A 79 9.254 13.294 3.578 1.00 0.00 C ATOM 1017 O ASP A 79 9.548 14.480 3.718 1.00 0.00 O ATOM 1018 CB ASP A 79 11.677 12.693 3.768 1.00 0.00 C ATOM 1019 CG ASP A 79 12.161 13.523 4.940 1.00 0.00 C ATOM 1020 OD1 ASP A 79 12.662 12.932 5.920 1.00 0.00 O ATOM 1021 OD2 ASP A 79 12.040 14.764 4.879 1.00 0.00 O ATOM 0 H ASP A 79 9.536 11.145 2.287 1.00 0.00 H new ATOM 0 HA ASP A 79 10.086 11.945 5.008 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.340 11.839 3.633 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.734 13.288 2.857 1.00 0.00 H new ATOM 1026 N ASP A 80 8.082 12.892 3.096 1.00 0.00 N ATOM 1027 CA ASP A 80 7.055 13.848 2.697 1.00 0.00 C ATOM 1028 C ASP A 80 5.663 13.332 3.053 1.00 0.00 C ATOM 1029 O ASP A 80 5.341 12.171 2.811 1.00 0.00 O ATOM 1030 CB ASP A 80 7.140 14.122 1.196 1.00 0.00 C ATOM 1031 CG ASP A 80 8.371 14.924 0.822 1.00 0.00 C ATOM 1032 OD1 ASP A 80 8.653 15.932 1.505 1.00 0.00 O ATOM 1033 OD2 ASP A 80 9.054 14.544 -0.154 1.00 0.00 O ATOM 0 H ASP A 80 7.820 11.914 2.973 1.00 0.00 H new ATOM 0 HA ASP A 80 7.229 14.777 3.240 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.150 13.175 0.657 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.248 14.661 0.877 1.00 0.00 H new ATOM 1038 N ILE A 81 4.843 14.205 3.635 1.00 0.00 N ATOM 1039 CA ILE A 81 3.489 13.842 4.029 1.00 0.00 C ATOM 1040 C ILE A 81 2.717 13.222 2.868 1.00 0.00 C ATOM 1041 O ILE A 81 3.033 13.451 1.703 1.00 0.00 O ATOM 1042 CB ILE A 81 2.732 15.072 4.567 1.00 0.00 C ATOM 1043 CG1 ILE A 81 3.316 15.470 5.916 1.00 0.00 C ATOM 1044 CG2 ILE A 81 1.240 14.790 4.693 1.00 0.00 C ATOM 1045 CD1 ILE A 81 3.087 14.428 6.989 1.00 0.00 C ATOM 0 H ILE A 81 5.096 15.171 3.843 1.00 0.00 H new ATOM 0 HA ILE A 81 3.567 13.098 4.821 1.00 0.00 H new ATOM 0 HB ILE A 81 2.851 15.894 3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.387 15.641 5.806 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.873 16.414 6.233 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.733 15.676 5.075 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.834 14.533 3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.084 13.958 5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.526 14.769 7.927 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.016 14.274 7.124 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.554 13.489 6.690 1.00 0.00 H new ATOM 1057 N LEU A 82 1.705 12.428 3.205 1.00 0.00 N ATOM 1058 CA LEU A 82 0.890 11.764 2.200 1.00 0.00 C ATOM 1059 C LEU A 82 -0.039 12.749 1.497 1.00 0.00 C ATOM 1060 O LEU A 82 -0.116 12.776 0.270 1.00 0.00 O ATOM 1061 CB LEU A 82 0.072 10.638 2.838 1.00 0.00 C ATOM 1062 CG LEU A 82 0.074 9.320 2.063 1.00 0.00 C ATOM 1063 CD1 LEU A 82 1.282 8.480 2.445 1.00 0.00 C ATOM 1064 CD2 LEU A 82 -1.215 8.552 2.317 1.00 0.00 C ATOM 0 H LEU A 82 1.432 12.230 4.168 1.00 0.00 H new ATOM 0 HA LEU A 82 1.562 11.341 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.457 10.453 3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.958 10.976 2.949 1.00 0.00 H new ATOM 0 HG LEU A 82 0.136 9.545 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.267 7.546 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.195 9.029 2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.251 8.263 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.197 7.616 1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.307 8.337 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.066 9.152 1.994 1.00 0.00 H new ATOM 1076 N CYS A 83 -0.748 13.553 2.281 1.00 0.00 N ATOM 1077 CA CYS A 83 -1.676 14.535 1.730 1.00 0.00 C ATOM 1078 C CYS A 83 -0.946 15.608 0.922 1.00 0.00 C ATOM 1079 O CYS A 83 -1.570 16.363 0.177 1.00 0.00 O ATOM 1080 CB CYS A 83 -2.480 15.191 2.855 1.00 0.00 C ATOM 1081 SG CYS A 83 -3.848 16.222 2.278 1.00 0.00 S ATOM 0 H CYS A 83 -0.698 13.545 3.300 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.353 14.008 1.058 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -2.876 14.412 3.507 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -1.809 15.801 3.459 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.526 16.777 1.148 1.00 0.00 H new ATOM 1087 N ASP A 84 0.374 15.680 1.079 1.00 0.00 N ATOM 1088 CA ASP A 84 1.171 16.672 0.365 1.00 0.00 C ATOM 1089 C ASP A 84 1.676 16.132 -0.971 1.00 0.00 C ATOM 1090 O ASP A 84 1.602 16.815 -1.992 1.00 0.00 O ATOM 1091 CB ASP A 84 2.353 17.119 1.228 1.00 0.00 C ATOM 1092 CG ASP A 84 2.557 18.621 1.197 1.00 0.00 C ATOM 1093 OD1 ASP A 84 2.189 19.249 0.182 1.00 0.00 O ATOM 1094 OD2 ASP A 84 3.087 19.168 2.186 1.00 0.00 O ATOM 0 H ASP A 84 0.911 15.066 1.691 1.00 0.00 H new ATOM 0 HA ASP A 84 0.528 17.528 0.159 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.190 16.799 2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.260 16.625 0.881 1.00 0.00 H new ATOM 1099 N VAL A 85 2.201 14.909 -0.958 1.00 0.00 N ATOM 1100 CA VAL A 85 2.727 14.296 -2.174 1.00 0.00 C ATOM 1101 C VAL A 85 1.695 13.393 -2.847 1.00 0.00 C ATOM 1102 O VAL A 85 1.594 13.360 -4.072 1.00 0.00 O ATOM 1103 CB VAL A 85 4.004 13.479 -1.887 1.00 0.00 C ATOM 1104 CG1 VAL A 85 5.084 14.369 -1.293 1.00 0.00 C ATOM 1105 CG2 VAL A 85 3.701 12.309 -0.961 1.00 0.00 C ATOM 0 H VAL A 85 2.273 14.326 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 85 2.971 15.115 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 85 4.371 13.077 -2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.977 13.776 -1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.325 15.167 -1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.725 14.803 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.616 11.747 -0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.305 12.685 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.964 11.656 -1.429 1.00 0.00 H new ATOM 1115 N ALA A 86 0.939 12.659 -2.041 1.00 0.00 N ATOM 1116 CA ALA A 86 -0.079 11.755 -2.562 1.00 0.00 C ATOM 1117 C ALA A 86 -1.453 12.413 -2.566 1.00 0.00 C ATOM 1118 O ALA A 86 -1.623 13.524 -2.064 1.00 0.00 O ATOM 1119 CB ALA A 86 -0.110 10.472 -1.746 1.00 0.00 C ATOM 0 H ALA A 86 1.011 12.672 -1.024 1.00 0.00 H new ATOM 0 HA ALA A 86 0.180 11.514 -3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.874 9.805 -2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.863 9.983 -1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.340 10.707 -0.707 1.00 0.00 H new ATOM 1125 N ASP A 87 -2.434 11.718 -3.135 1.00 0.00 N ATOM 1126 CA ASP A 87 -3.797 12.231 -3.205 1.00 0.00 C ATOM 1127 C ASP A 87 -4.800 11.156 -2.798 1.00 0.00 C ATOM 1128 O ASP A 87 -4.608 9.974 -3.085 1.00 0.00 O ATOM 1129 CB ASP A 87 -4.105 12.730 -4.619 1.00 0.00 C ATOM 1130 CG ASP A 87 -4.781 14.088 -4.616 1.00 0.00 C ATOM 1131 OD1 ASP A 87 -4.333 14.972 -3.856 1.00 0.00 O ATOM 1132 OD2 ASP A 87 -5.758 14.267 -5.375 1.00 0.00 O ATOM 0 H ASP A 87 -2.309 10.797 -3.555 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.884 13.066 -2.509 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.179 12.789 -5.191 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.747 12.008 -5.125 1.00 0.00 H new ATOM 1137 N ASP A 88 -5.871 11.574 -2.129 1.00 0.00 N ATOM 1138 CA ASP A 88 -6.905 10.644 -1.681 1.00 0.00 C ATOM 1139 C ASP A 88 -7.451 9.832 -2.849 1.00 0.00 C ATOM 1140 O ASP A 88 -7.778 10.380 -3.903 1.00 0.00 O ATOM 1141 CB ASP A 88 -8.041 11.406 -0.998 1.00 0.00 C ATOM 1142 CG ASP A 88 -7.546 12.314 0.110 1.00 0.00 C ATOM 1143 OD1 ASP A 88 -6.721 13.207 -0.178 1.00 0.00 O ATOM 1144 OD2 ASP A 88 -7.984 12.135 1.266 1.00 0.00 O ATOM 0 H ASP A 88 -6.046 12.549 -1.885 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.455 9.956 -0.965 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.573 12.001 -1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.757 10.694 -0.587 1.00 0.00 H new ATOM 1149 N LYS A 89 -7.549 8.520 -2.657 1.00 0.00 N ATOM 1150 CA LYS A 89 -8.056 7.629 -3.693 1.00 0.00 C ATOM 1151 C LYS A 89 -7.167 7.674 -4.933 1.00 0.00 C ATOM 1152 O LYS A 89 -7.628 7.987 -6.031 1.00 0.00 O ATOM 1153 CB LYS A 89 -9.492 8.006 -4.064 1.00 0.00 C ATOM 1154 CG LYS A 89 -10.238 6.909 -4.806 1.00 0.00 C ATOM 1155 CD LYS A 89 -11.198 6.168 -3.889 1.00 0.00 C ATOM 1156 CE LYS A 89 -12.454 5.738 -4.628 1.00 0.00 C ATOM 1157 NZ LYS A 89 -13.488 5.198 -3.701 1.00 0.00 N ATOM 0 H LYS A 89 -7.283 8.050 -1.791 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.047 6.613 -3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.040 8.255 -3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.475 8.904 -4.682 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.791 7.343 -5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.523 6.205 -5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.702 5.291 -3.473 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.470 6.809 -3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.864 6.589 -5.173 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.198 4.979 -5.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.329 4.916 -4.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.107 4.371 -3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.752 5.930 -3.011 1.00 0.00 H new ATOM 1171 N ASP A 90 -5.888 7.364 -4.749 1.00 0.00 N ATOM 1172 CA ASP A 90 -4.934 7.372 -5.852 1.00 0.00 C ATOM 1173 C ASP A 90 -4.134 6.072 -5.894 1.00 0.00 C ATOM 1174 O ASP A 90 -4.113 5.314 -4.925 1.00 0.00 O ATOM 1175 CB ASP A 90 -3.985 8.565 -5.725 1.00 0.00 C ATOM 1176 CG ASP A 90 -3.217 8.832 -7.005 1.00 0.00 C ATOM 1177 OD1 ASP A 90 -3.863 9.076 -8.046 1.00 0.00 O ATOM 1178 OD2 ASP A 90 -1.969 8.795 -6.967 1.00 0.00 O ATOM 0 H ASP A 90 -5.488 7.104 -3.847 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.495 7.460 -6.782 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.556 9.453 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.281 8.381 -4.914 1.00 0.00 H new ATOM 1183 N ARG A 91 -3.475 5.825 -7.021 1.00 0.00 N ATOM 1184 CA ARG A 91 -2.671 4.620 -7.190 1.00 0.00 C ATOM 1185 C ARG A 91 -1.186 4.965 -7.250 1.00 0.00 C ATOM 1186 O ARG A 91 -0.810 6.054 -7.680 1.00 0.00 O ATOM 1187 CB ARG A 91 -3.087 3.879 -8.462 1.00 0.00 C ATOM 1188 CG ARG A 91 -2.833 2.380 -8.401 1.00 0.00 C ATOM 1189 CD ARG A 91 -2.778 1.766 -9.791 1.00 0.00 C ATOM 1190 NE ARG A 91 -4.021 1.079 -10.136 1.00 0.00 N ATOM 1191 CZ ARG A 91 -4.371 0.760 -11.379 1.00 0.00 C ATOM 1192 NH1 ARG A 91 -3.577 1.065 -12.398 1.00 0.00 N ATOM 1193 NH2 ARG A 91 -5.518 0.135 -11.605 1.00 0.00 N ATOM 0 H ARG A 91 -3.482 6.444 -7.832 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.842 3.973 -6.330 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.148 4.053 -8.644 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.545 4.297 -9.310 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.894 2.190 -7.881 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.621 1.900 -7.821 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.580 2.547 -10.525 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.948 1.062 -9.844 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.658 0.829 -9.379 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.694 1.546 -12.230 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.850 0.818 -13.349 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.132 -0.101 -10.826 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.786 -0.110 -12.558 1.00 0.00 H new ATOM 1207 N LEU A 92 -0.347 4.031 -6.814 1.00 0.00 N ATOM 1208 CA LEU A 92 1.096 4.240 -6.818 1.00 0.00 C ATOM 1209 C LEU A 92 1.838 2.951 -7.158 1.00 0.00 C ATOM 1210 O LEU A 92 1.262 1.864 -7.127 1.00 0.00 O ATOM 1211 CB LEU A 92 1.560 4.760 -5.456 1.00 0.00 C ATOM 1212 CG LEU A 92 0.774 5.956 -4.914 1.00 0.00 C ATOM 1213 CD1 LEU A 92 0.992 6.103 -3.416 1.00 0.00 C ATOM 1214 CD2 LEU A 92 1.176 7.230 -5.641 1.00 0.00 C ATOM 0 H LEU A 92 -0.641 3.123 -6.454 1.00 0.00 H new ATOM 0 HA LEU A 92 1.325 4.981 -7.584 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.497 3.946 -4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.611 5.040 -5.530 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.287 5.780 -5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.425 6.958 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.655 5.199 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.052 6.257 -3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.608 8.071 -5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.241 7.411 -5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.968 7.123 -6.706 1.00 0.00 H new ATOM 1226 N VAL A 93 3.121 3.084 -7.479 1.00 0.00 N ATOM 1227 CA VAL A 93 3.951 1.935 -7.821 1.00 0.00 C ATOM 1228 C VAL A 93 5.038 1.722 -6.774 1.00 0.00 C ATOM 1229 O VAL A 93 5.888 2.587 -6.565 1.00 0.00 O ATOM 1230 CB VAL A 93 4.607 2.107 -9.203 1.00 0.00 C ATOM 1231 CG1 VAL A 93 5.307 0.824 -9.626 1.00 0.00 C ATOM 1232 CG2 VAL A 93 3.573 2.524 -10.237 1.00 0.00 C ATOM 0 H VAL A 93 3.609 3.979 -7.509 1.00 0.00 H new ATOM 0 HA VAL A 93 3.297 1.063 -7.848 1.00 0.00 H new ATOM 0 HB VAL A 93 5.356 2.896 -9.133 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.765 0.965 -10.605 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.078 0.573 -8.898 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.580 0.013 -9.679 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.055 2.641 -11.207 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.799 1.760 -10.306 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.122 3.471 -9.940 1.00 0.00 H new ATOM 1242 N ALA A 94 4.999 0.572 -6.111 1.00 0.00 N ATOM 1243 CA ALA A 94 5.974 0.253 -5.078 1.00 0.00 C ATOM 1244 C ALA A 94 7.105 -0.615 -5.621 1.00 0.00 C ATOM 1245 O ALA A 94 6.895 -1.774 -5.987 1.00 0.00 O ATOM 1246 CB ALA A 94 5.291 -0.437 -3.906 1.00 0.00 C ATOM 0 H ALA A 94 4.302 -0.155 -6.271 1.00 0.00 H new ATOM 0 HA ALA A 94 6.414 1.189 -4.734 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.031 -0.671 -3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.531 0.223 -3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.821 -1.359 -4.250 1.00 0.00 H new ATOM 1252 N VAL A 95 8.307 -0.048 -5.656 1.00 0.00 N ATOM 1253 CA VAL A 95 9.483 -0.763 -6.136 1.00 0.00 C ATOM 1254 C VAL A 95 10.381 -1.153 -4.968 1.00 0.00 C ATOM 1255 O VAL A 95 10.879 -0.292 -4.242 1.00 0.00 O ATOM 1256 CB VAL A 95 10.292 0.086 -7.136 1.00 0.00 C ATOM 1257 CG1 VAL A 95 11.390 -0.748 -7.777 1.00 0.00 C ATOM 1258 CG2 VAL A 95 9.376 0.680 -8.195 1.00 0.00 C ATOM 0 H VAL A 95 8.492 0.909 -5.356 1.00 0.00 H new ATOM 0 HA VAL A 95 9.132 -1.660 -6.646 1.00 0.00 H new ATOM 0 HB VAL A 95 10.761 0.907 -6.593 1.00 0.00 H new ATOM 0 HG11 VAL A 95 11.951 -0.132 -8.480 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.062 -1.120 -7.004 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.945 -1.590 -8.307 1.00 0.00 H new ATOM 0 HG21 VAL A 95 9.965 1.276 -8.892 1.00 0.00 H new ATOM 0 HG22 VAL A 95 8.877 -0.124 -8.736 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.629 1.314 -7.716 1.00 0.00 H new ATOM 1268 N PHE A 96 10.571 -2.453 -4.779 1.00 0.00 N ATOM 1269 CA PHE A 96 11.397 -2.948 -3.684 1.00 0.00 C ATOM 1270 C PHE A 96 12.180 -4.190 -4.093 1.00 0.00 C ATOM 1271 O PHE A 96 11.993 -4.728 -5.184 1.00 0.00 O ATOM 1272 CB PHE A 96 10.515 -3.274 -2.478 1.00 0.00 C ATOM 1273 CG PHE A 96 9.558 -4.404 -2.729 1.00 0.00 C ATOM 1274 CD1 PHE A 96 8.452 -4.222 -3.541 1.00 0.00 C ATOM 1275 CD2 PHE A 96 9.768 -5.647 -2.155 1.00 0.00 C ATOM 1276 CE1 PHE A 96 7.571 -5.260 -3.777 1.00 0.00 C ATOM 1277 CE2 PHE A 96 8.890 -6.690 -2.386 1.00 0.00 C ATOM 1278 CZ PHE A 96 7.790 -6.496 -3.199 1.00 0.00 C ATOM 0 H PHE A 96 10.166 -3.181 -5.367 1.00 0.00 H new ATOM 0 HA PHE A 96 12.111 -2.167 -3.422 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.151 -3.527 -1.630 1.00 0.00 H new ATOM 0 HB3 PHE A 96 9.950 -2.384 -2.199 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.276 -3.258 -3.995 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.627 -5.803 -1.520 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.712 -5.105 -4.413 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.064 -7.654 -1.932 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.103 -7.309 -3.382 1.00 0.00 H new ATOM 1288 N ASP A 97 13.047 -4.646 -3.196 1.00 0.00 N ATOM 1289 CA ASP A 97 13.852 -5.836 -3.438 1.00 0.00 C ATOM 1290 C ASP A 97 13.340 -6.988 -2.582 1.00 0.00 C ATOM 1291 O ASP A 97 12.672 -6.765 -1.575 1.00 0.00 O ATOM 1292 CB ASP A 97 15.323 -5.556 -3.120 1.00 0.00 C ATOM 1293 CG ASP A 97 16.173 -5.449 -4.371 1.00 0.00 C ATOM 1294 OD1 ASP A 97 16.339 -6.472 -5.067 1.00 0.00 O ATOM 1295 OD2 ASP A 97 16.674 -4.340 -4.655 1.00 0.00 O ATOM 0 H ASP A 97 13.210 -4.206 -2.290 1.00 0.00 H new ATOM 0 HA ASP A 97 13.771 -6.110 -4.490 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.399 -4.629 -2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.713 -6.352 -2.486 1.00 0.00 H new ATOM 1300 N GLU A 98 13.643 -8.215 -2.986 1.00 0.00 N ATOM 1301 CA GLU A 98 13.193 -9.385 -2.241 1.00 0.00 C ATOM 1302 C GLU A 98 14.108 -10.582 -2.473 1.00 0.00 C ATOM 1303 O GLU A 98 14.521 -10.849 -3.601 1.00 0.00 O ATOM 1304 CB GLU A 98 11.761 -9.743 -2.641 1.00 0.00 C ATOM 1305 CG GLU A 98 11.547 -9.797 -4.145 1.00 0.00 C ATOM 1306 CD GLU A 98 10.164 -10.294 -4.519 1.00 0.00 C ATOM 1307 OE1 GLU A 98 9.203 -9.985 -3.785 1.00 0.00 O ATOM 1308 OE2 GLU A 98 10.043 -10.992 -5.548 1.00 0.00 O ATOM 0 H GLU A 98 14.194 -8.426 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 98 13.225 -9.136 -1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.503 -10.711 -2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.078 -9.010 -2.211 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.698 -8.803 -4.566 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.297 -10.450 -4.592 1.00 0.00 H new ATOM 1315 N GLN A 99 14.413 -11.309 -1.400 1.00 0.00 N ATOM 1316 CA GLN A 99 15.271 -12.488 -1.504 1.00 0.00 C ATOM 1317 C GLN A 99 14.449 -13.769 -1.386 1.00 0.00 C ATOM 1318 O GLN A 99 14.657 -14.572 -0.475 1.00 0.00 O ATOM 1319 CB GLN A 99 16.369 -12.470 -0.434 1.00 0.00 C ATOM 1320 CG GLN A 99 17.252 -13.708 -0.441 1.00 0.00 C ATOM 1321 CD GLN A 99 18.658 -13.424 0.051 1.00 0.00 C ATOM 1322 OE1 GLN A 99 19.393 -12.643 -0.552 1.00 0.00 O ATOM 1323 NE2 GLN A 99 19.038 -14.062 1.152 1.00 0.00 N ATOM 0 H GLN A 99 14.083 -11.105 -0.457 1.00 0.00 H new ATOM 0 HA GLN A 99 15.745 -12.464 -2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.993 -11.589 -0.582 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.905 -12.371 0.548 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.800 -14.476 0.186 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.299 -14.110 -1.453 1.00 0.00 H new ATOM 0 HE21 GLN A 99 18.394 -14.701 1.619 1.00 0.00 H new ATOM 0 HE22 GLN A 99 19.973 -13.913 1.531 1.00 0.00 H new ATOM 1332 N ASP A 100 13.512 -13.953 -2.310 1.00 0.00 N ATOM 1333 CA ASP A 100 12.658 -15.135 -2.308 1.00 0.00 C ATOM 1334 C ASP A 100 12.967 -16.030 -3.503 1.00 0.00 C ATOM 1335 O ASP A 100 12.489 -17.185 -3.516 1.00 0.00 O ATOM 1336 CB ASP A 100 11.186 -14.726 -2.328 1.00 0.00 C ATOM 1337 CG ASP A 100 10.851 -13.825 -3.500 1.00 0.00 C ATOM 1338 OD1 ASP A 100 11.624 -13.816 -4.481 1.00 0.00 O ATOM 1339 OD2 ASP A 100 9.817 -13.128 -3.437 1.00 0.00 O ATOM 1340 OXT ASP A 100 13.681 -15.570 -4.418 1.00 0.00 O ATOM 0 H ASP A 100 13.325 -13.299 -3.070 1.00 0.00 H new ATOM 0 HA ASP A 100 12.858 -15.697 -1.395 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.564 -15.620 -2.372 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.942 -14.213 -1.398 1.00 0.00 H new TER 1345 ASP A 100