USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 831 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 137 TYR OH : rot -63:sc= -2.06! USER MOD Set 1.2: A 139 TYR OH : rot -101:sc= -0.788! USER MOD Set 2.1: A 98 TYR OH : rot -60:sc= -0.394 USER MOD Set 2.2: A 136 TYR OH : rot 77:sc= -7.16! USER MOD Set 3.1: A 32 SER OG : rot 89:sc= -1.68! USER MOD Set 3.2: A 61 THR OG1 : rot 23:sc= 1.21 USER MOD Set 4.1: A 54 SER OG : rot 100:sc= -2.66! USER MOD Set 4.2: A 63 ASN : amide:sc= -10.1! C(o=-13!,f=-24!) USER MOD Set 5.1: A 18 TYR OH : rot -100:sc= -1.91! USER MOD Set 5.2: A 20 SER OG : rot -74:sc= 0.961 USER MOD Single : A 1 GLU N :NH3+ -150:sc= -4.99! (180deg=-7.08!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 7 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.049) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -4.26! K(o=-4.3!,f=-1.1) USER MOD Single : A 15 SER OG : rot -94:sc= 0.733 USER MOD Single : A 23 THR OG1 : rot -170:sc= -1.95! USER MOD Single : A 28 ASN : amide:sc= -9.39! C(o=-9.4!,f=-13!) USER MOD Single : A 38 THR OG1 : rot 68:sc= -0.252 USER MOD Single : A 44 SER OG : rot 89:sc= -0.927! USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -150:sc= -1.47! USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 162:sc= -5.99! (180deg=-6.45!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 68 CYS SG : rot -140:sc= -2.1 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0311 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0152) USER MOD Single : A 96 HIS : no HD1:sc= -0.4 X(o=-0.4,f=-0.2) USER MOD Single : A 97 HIS : no HE2:sc= -7.22! C(o=-7.2!,f=-9.1!) USER MOD Single : A 99 MET CE :methyl 140:sc= -0.541 (180deg=-2.31!) USER MOD Single : A 140 SER OG : rot 180:sc= 0.0496! USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : B 165 SER OG : rot 160:sc= 0.00883 USER MOD Single : B 166 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -7.197 -22.487 7.747 1.00 0.00 N ATOM 2 CA GLU A 1 -6.029 -21.562 7.785 1.00 0.00 C ATOM 3 C GLU A 1 -6.080 -20.597 6.597 1.00 0.00 C ATOM 4 O GLU A 1 -6.345 -19.421 6.749 1.00 0.00 O ATOM 5 CB GLU A 1 -4.802 -22.469 7.688 1.00 0.00 C ATOM 6 CG GLU A 1 -3.532 -21.629 7.852 1.00 0.00 C ATOM 7 CD GLU A 1 -2.314 -22.552 7.906 1.00 0.00 C ATOM 8 OE1 GLU A 1 -2.483 -23.739 7.680 1.00 0.00 O ATOM 9 OE2 GLU A 1 -1.230 -22.056 8.171 1.00 0.00 O ATOM 0 H1 GLU A 1 -7.454 -22.762 8.717 1.00 0.00 H new ATOM 0 H2 GLU A 1 -8.004 -22.009 7.297 1.00 0.00 H new ATOM 0 H3 GLU A 1 -6.949 -23.337 7.201 1.00 0.00 H new ATOM 0 HA GLU A 1 -6.014 -20.952 8.688 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -4.844 -23.239 8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -4.790 -22.981 6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -3.436 -20.930 7.021 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -3.592 -21.034 8.763 1.00 0.00 H new ATOM 15 N TYR A 2 -5.826 -21.085 5.414 1.00 0.00 N ATOM 16 CA TYR A 2 -5.859 -20.195 4.217 1.00 0.00 C ATOM 17 C TYR A 2 -7.278 -19.664 3.993 1.00 0.00 C ATOM 18 O TYR A 2 -7.471 -18.538 3.577 1.00 0.00 O ATOM 19 CB TYR A 2 -5.427 -21.085 3.051 1.00 0.00 C ATOM 20 CG TYR A 2 -6.547 -22.033 2.697 1.00 0.00 C ATOM 21 CD1 TYR A 2 -7.594 -21.603 1.872 1.00 0.00 C ATOM 22 CD2 TYR A 2 -6.541 -23.342 3.193 1.00 0.00 C ATOM 23 CE1 TYR A 2 -8.633 -22.481 1.543 1.00 0.00 C ATOM 24 CE2 TYR A 2 -7.581 -24.221 2.865 1.00 0.00 C ATOM 25 CZ TYR A 2 -8.627 -23.790 2.040 1.00 0.00 C ATOM 26 OH TYR A 2 -9.652 -24.656 1.716 1.00 0.00 O ATOM 0 H TYR A 2 -5.597 -22.061 5.224 1.00 0.00 H new ATOM 0 HA TYR A 2 -5.210 -19.327 4.328 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -5.170 -20.471 2.188 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -4.533 -21.647 3.321 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.600 -20.593 1.489 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.734 -23.674 3.829 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -9.439 -22.149 0.906 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -7.576 -25.231 3.248 1.00 0.00 H new ATOM 0 HH TYR A 2 -9.494 -25.524 2.142 1.00 0.00 H new ATOM 36 N GLN A 3 -8.271 -20.466 4.262 1.00 0.00 N ATOM 37 CA GLN A 3 -9.676 -20.006 4.061 1.00 0.00 C ATOM 38 C GLN A 3 -9.984 -18.823 4.984 1.00 0.00 C ATOM 39 O GLN A 3 -10.640 -17.877 4.595 1.00 0.00 O ATOM 40 CB GLN A 3 -10.543 -21.211 4.425 1.00 0.00 C ATOM 41 CG GLN A 3 -10.471 -21.459 5.932 1.00 0.00 C ATOM 42 CD GLN A 3 -11.251 -22.729 6.279 1.00 0.00 C ATOM 43 OE1 GLN A 3 -12.365 -22.912 5.832 1.00 0.00 O ATOM 44 NE2 GLN A 3 -10.708 -23.620 7.062 1.00 0.00 N ATOM 0 H GLN A 3 -8.172 -21.419 4.612 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.857 -19.667 3.041 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -11.576 -21.033 4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -10.202 -22.094 3.884 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -9.432 -21.561 6.245 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -10.884 -20.607 6.472 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -9.772 -23.466 7.438 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.219 -24.470 7.299 1.00 0.00 H new ATOM 53 N LEU A 4 -9.516 -18.866 6.202 1.00 0.00 N ATOM 54 CA LEU A 4 -9.786 -17.740 7.142 1.00 0.00 C ATOM 55 C LEU A 4 -9.065 -16.474 6.669 1.00 0.00 C ATOM 56 O LEU A 4 -9.639 -15.406 6.611 1.00 0.00 O ATOM 57 CB LEU A 4 -9.227 -18.203 8.489 1.00 0.00 C ATOM 58 CG LEU A 4 -9.891 -19.521 8.890 1.00 0.00 C ATOM 59 CD1 LEU A 4 -8.819 -20.594 9.088 1.00 0.00 C ATOM 60 CD2 LEU A 4 -10.662 -19.326 10.198 1.00 0.00 C ATOM 0 H LEU A 4 -8.960 -19.630 6.586 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.847 -17.499 7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.147 -18.333 8.421 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.409 -17.445 9.251 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.578 -19.834 8.104 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.293 -21.533 9.374 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.268 -20.734 8.158 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.131 -20.281 9.874 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.136 -20.265 10.485 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.974 -19.012 10.983 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.426 -18.562 10.059 1.00 0.00 H new ATOM 72 N VAL A 5 -7.810 -16.589 6.328 1.00 0.00 N ATOM 73 CA VAL A 5 -7.053 -15.395 5.856 1.00 0.00 C ATOM 74 C VAL A 5 -7.572 -14.943 4.486 1.00 0.00 C ATOM 75 O VAL A 5 -7.819 -13.776 4.258 1.00 0.00 O ATOM 76 CB VAL A 5 -5.598 -15.859 5.754 1.00 0.00 C ATOM 77 CG1 VAL A 5 -5.497 -17.042 4.791 1.00 0.00 C ATOM 78 CG2 VAL A 5 -4.738 -14.710 5.230 1.00 0.00 C ATOM 0 H VAL A 5 -7.277 -17.458 6.356 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.162 -14.546 6.531 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.248 -16.165 6.740 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.459 -17.368 4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.112 -17.864 5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.848 -16.739 3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.701 -15.036 5.156 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.095 -14.408 4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.804 -13.864 5.915 1.00 0.00 H new ATOM 88 N VAL A 6 -7.740 -15.858 3.573 1.00 0.00 N ATOM 89 CA VAL A 6 -8.242 -15.482 2.220 1.00 0.00 C ATOM 90 C VAL A 6 -9.609 -14.802 2.334 1.00 0.00 C ATOM 91 O VAL A 6 -9.831 -13.739 1.787 1.00 0.00 O ATOM 92 CB VAL A 6 -8.360 -16.802 1.460 1.00 0.00 C ATOM 93 CG1 VAL A 6 -9.164 -16.583 0.177 1.00 0.00 C ATOM 94 CG2 VAL A 6 -6.963 -17.312 1.104 1.00 0.00 C ATOM 0 H VAL A 6 -7.551 -16.852 3.704 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.580 -14.780 1.714 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.867 -17.536 2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.248 -17.525 -0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.160 -16.220 0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.657 -15.848 -0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.047 -18.254 0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.456 -16.577 0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.389 -17.469 2.017 1.00 0.00 H new ATOM 104 N ASN A 7 -10.527 -15.402 3.043 1.00 0.00 N ATOM 105 CA ASN A 7 -11.874 -14.780 3.191 1.00 0.00 C ATOM 106 C ASN A 7 -11.736 -13.394 3.824 1.00 0.00 C ATOM 107 O ASN A 7 -12.424 -12.460 3.460 1.00 0.00 O ATOM 108 CB ASN A 7 -12.646 -15.721 4.118 1.00 0.00 C ATOM 109 CG ASN A 7 -13.206 -16.891 3.307 1.00 0.00 C ATOM 110 OD1 ASN A 7 -14.168 -17.516 3.707 1.00 0.00 O ATOM 111 ND2 ASN A 7 -12.640 -17.217 2.177 1.00 0.00 N ATOM 0 H ASN A 7 -10.403 -16.293 3.524 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.382 -14.649 2.235 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.990 -16.092 4.906 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -13.458 -15.182 4.607 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.005 -17.996 1.630 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -11.832 -16.692 1.841 1.00 0.00 H new ATOM 118 N ALA A 8 -10.844 -13.255 4.765 1.00 0.00 N ATOM 119 CA ALA A 8 -10.644 -11.932 5.422 1.00 0.00 C ATOM 120 C ALA A 8 -9.945 -10.974 4.461 1.00 0.00 C ATOM 121 O ALA A 8 -10.245 -9.799 4.404 1.00 0.00 O ATOM 122 CB ALA A 8 -9.742 -12.225 6.613 1.00 0.00 C ATOM 0 H ALA A 8 -10.242 -14.003 5.109 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.585 -11.468 5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.543 -11.300 7.155 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.235 -12.936 7.276 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.801 -12.649 6.261 1.00 0.00 H new ATOM 128 N VAL A 9 -9.014 -11.477 3.700 1.00 0.00 N ATOM 129 CA VAL A 9 -8.291 -10.610 2.732 1.00 0.00 C ATOM 130 C VAL A 9 -9.301 -9.954 1.796 1.00 0.00 C ATOM 131 O VAL A 9 -9.179 -8.799 1.439 1.00 0.00 O ATOM 132 CB VAL A 9 -7.373 -11.562 1.961 1.00 0.00 C ATOM 133 CG1 VAL A 9 -7.045 -10.969 0.589 1.00 0.00 C ATOM 134 CG2 VAL A 9 -6.076 -11.767 2.747 1.00 0.00 C ATOM 0 H VAL A 9 -8.723 -12.454 3.708 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.726 -9.812 3.213 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.878 -12.519 1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.391 -11.651 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.967 -10.823 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.543 -10.010 0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.422 -12.445 2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.576 -10.808 2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.306 -12.195 3.723 1.00 0.00 H new ATOM 144 N ARG A 10 -10.299 -10.689 1.397 1.00 0.00 N ATOM 145 CA ARG A 10 -11.326 -10.116 0.481 1.00 0.00 C ATOM 146 C ARG A 10 -11.979 -8.889 1.124 1.00 0.00 C ATOM 147 O ARG A 10 -12.088 -7.842 0.517 1.00 0.00 O ATOM 148 CB ARG A 10 -12.353 -11.233 0.289 1.00 0.00 C ATOM 149 CG ARG A 10 -11.859 -12.204 -0.785 1.00 0.00 C ATOM 150 CD ARG A 10 -12.209 -13.637 -0.379 1.00 0.00 C ATOM 151 NE ARG A 10 -13.623 -13.572 0.082 1.00 0.00 N ATOM 152 CZ ARG A 10 -14.591 -13.484 -0.788 1.00 0.00 C ATOM 153 NH1 ARG A 10 -14.322 -13.454 -2.065 1.00 0.00 N ATOM 154 NH2 ARG A 10 -15.830 -13.427 -0.383 1.00 0.00 N ATOM 0 H ARG A 10 -10.450 -11.662 1.665 1.00 0.00 H new ATOM 0 HA ARG A 10 -10.899 -9.789 -0.467 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.509 -11.763 1.229 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.315 -10.811 -0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.317 -11.965 -1.745 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.781 -12.104 -0.912 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.099 -14.323 -1.219 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.551 -13.995 0.413 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.835 -13.596 1.079 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.354 -13.499 -2.383 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.080 -13.385 -2.744 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.042 -13.451 0.614 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.586 -13.358 -1.064 1.00 0.00 H new ATOM 168 N LYS A 11 -12.413 -9.010 2.349 1.00 0.00 N ATOM 169 CA LYS A 11 -13.056 -7.851 3.032 1.00 0.00 C ATOM 170 C LYS A 11 -11.991 -6.868 3.528 1.00 0.00 C ATOM 171 O LYS A 11 -12.204 -5.672 3.566 1.00 0.00 O ATOM 172 CB LYS A 11 -13.814 -8.458 4.212 1.00 0.00 C ATOM 173 CG LYS A 11 -14.906 -9.396 3.692 1.00 0.00 C ATOM 174 CD LYS A 11 -15.082 -10.564 4.665 1.00 0.00 C ATOM 175 CE LYS A 11 -16.449 -10.461 5.345 1.00 0.00 C ATOM 176 NZ LYS A 11 -16.678 -11.803 5.950 1.00 0.00 N ATOM 0 H LYS A 11 -12.350 -9.862 2.907 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.715 -7.294 2.366 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.126 -9.006 4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.257 -7.668 4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.845 -8.854 3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.639 -9.769 2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.000 -11.511 4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.290 -10.550 5.414 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.455 -9.679 6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.230 -10.213 4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.597 -11.812 6.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.674 -12.526 5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.923 -12.009 6.635 1.00 0.00 H new ATOM 190 N LEU A 12 -10.850 -7.365 3.919 1.00 0.00 N ATOM 191 CA LEU A 12 -9.774 -6.462 4.424 1.00 0.00 C ATOM 192 C LEU A 12 -9.157 -5.658 3.276 1.00 0.00 C ATOM 193 O LEU A 12 -8.923 -4.472 3.396 1.00 0.00 O ATOM 194 CB LEU A 12 -8.733 -7.396 5.041 1.00 0.00 C ATOM 195 CG LEU A 12 -7.881 -6.620 6.047 1.00 0.00 C ATOM 196 CD1 LEU A 12 -7.593 -7.505 7.260 1.00 0.00 C ATOM 197 CD2 LEU A 12 -6.561 -6.213 5.391 1.00 0.00 C ATOM 0 H LEU A 12 -10.615 -8.357 3.911 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.155 -5.737 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.227 -8.232 5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.099 -7.817 4.261 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.419 -5.728 6.366 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.986 -6.953 7.977 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.533 -7.797 7.729 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.055 -8.397 6.940 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.954 -5.660 6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.023 -7.106 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.764 -5.583 4.525 1.00 0.00 H new ATOM 209 N GLN A 13 -8.881 -6.291 2.169 1.00 0.00 N ATOM 210 CA GLN A 13 -8.270 -5.550 1.028 1.00 0.00 C ATOM 211 C GLN A 13 -9.207 -4.436 0.553 1.00 0.00 C ATOM 212 O GLN A 13 -8.778 -3.340 0.250 1.00 0.00 O ATOM 213 CB GLN A 13 -8.084 -6.599 -0.071 1.00 0.00 C ATOM 214 CG GLN A 13 -9.439 -6.926 -0.701 1.00 0.00 C ATOM 215 CD GLN A 13 -9.259 -8.015 -1.761 1.00 0.00 C ATOM 216 OE1 GLN A 13 -9.494 -7.786 -2.930 1.00 0.00 O ATOM 217 NE2 GLN A 13 -8.847 -9.200 -1.398 1.00 0.00 N ATOM 0 H GLN A 13 -9.051 -7.283 2.005 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.329 -5.074 1.303 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.398 -6.226 -0.832 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.638 -7.502 0.346 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.137 -7.262 0.066 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.868 -6.031 -1.153 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.649 -9.393 -0.416 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.723 -9.933 -2.096 1.00 0.00 H new ATOM 226 N GLU A 14 -10.482 -4.704 0.491 1.00 0.00 N ATOM 227 CA GLU A 14 -11.440 -3.655 0.040 1.00 0.00 C ATOM 228 C GLU A 14 -11.696 -2.646 1.164 1.00 0.00 C ATOM 229 O GLU A 14 -11.589 -1.450 0.976 1.00 0.00 O ATOM 230 CB GLU A 14 -12.723 -4.413 -0.300 1.00 0.00 C ATOM 231 CG GLU A 14 -13.475 -3.676 -1.410 1.00 0.00 C ATOM 232 CD GLU A 14 -14.502 -4.617 -2.044 1.00 0.00 C ATOM 233 OE1 GLU A 14 -15.352 -5.108 -1.319 1.00 0.00 O ATOM 234 OE2 GLU A 14 -14.420 -4.831 -3.241 1.00 0.00 O ATOM 0 H GLU A 14 -10.902 -5.602 0.732 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.060 -3.089 -0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.484 -5.427 -0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.353 -4.498 0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.974 -2.797 -1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.774 -3.323 -2.166 1.00 0.00 H new ATOM 241 N SER A 15 -12.042 -3.122 2.330 1.00 0.00 N ATOM 242 CA SER A 15 -12.317 -2.197 3.468 1.00 0.00 C ATOM 243 C SER A 15 -11.019 -1.585 4.003 1.00 0.00 C ATOM 244 O SER A 15 -10.954 -0.407 4.298 1.00 0.00 O ATOM 245 CB SER A 15 -12.972 -3.072 4.535 1.00 0.00 C ATOM 246 OG SER A 15 -11.963 -3.759 5.262 1.00 0.00 O ATOM 0 H SER A 15 -12.146 -4.114 2.544 1.00 0.00 H new ATOM 0 HA SER A 15 -12.951 -1.363 3.168 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.568 -2.458 5.210 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.651 -3.786 4.070 1.00 0.00 H new ATOM 0 HG SER A 15 -11.823 -4.646 4.869 1.00 0.00 H new ATOM 252 N GLY A 16 -9.990 -2.374 4.147 1.00 0.00 N ATOM 253 CA GLY A 16 -8.707 -1.832 4.682 1.00 0.00 C ATOM 254 C GLY A 16 -7.730 -1.559 3.537 1.00 0.00 C ATOM 255 O GLY A 16 -6.534 -1.704 3.691 1.00 0.00 O ATOM 0 H GLY A 16 -9.981 -3.368 3.918 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.895 -0.912 5.236 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.268 -2.542 5.383 1.00 0.00 H new ATOM 259 N PHE A 17 -8.227 -1.157 2.396 1.00 0.00 N ATOM 260 CA PHE A 17 -7.321 -0.867 1.240 1.00 0.00 C ATOM 261 C PHE A 17 -6.065 -1.742 1.308 1.00 0.00 C ATOM 262 O PHE A 17 -4.960 -1.273 1.116 1.00 0.00 O ATOM 263 CB PHE A 17 -6.951 0.613 1.381 1.00 0.00 C ATOM 264 CG PHE A 17 -6.807 0.967 2.843 1.00 0.00 C ATOM 265 CD1 PHE A 17 -5.616 0.679 3.518 1.00 0.00 C ATOM 266 CD2 PHE A 17 -7.867 1.580 3.521 1.00 0.00 C ATOM 267 CE1 PHE A 17 -5.484 1.005 4.874 1.00 0.00 C ATOM 268 CE2 PHE A 17 -7.735 1.907 4.876 1.00 0.00 C ATOM 269 CZ PHE A 17 -6.544 1.619 5.553 1.00 0.00 C ATOM 0 H PHE A 17 -9.221 -1.016 2.213 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.801 -1.079 0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.018 0.816 0.855 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.719 1.235 0.921 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.799 0.206 2.994 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.786 1.801 2.999 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.565 0.783 5.396 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.552 2.382 5.399 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.443 1.870 6.598 1.00 0.00 H new ATOM 279 N TYR A 18 -6.227 -3.006 1.584 1.00 0.00 N ATOM 280 CA TYR A 18 -5.044 -3.913 1.669 1.00 0.00 C ATOM 281 C TYR A 18 -4.793 -4.576 0.311 1.00 0.00 C ATOM 282 O TYR A 18 -5.650 -5.242 -0.233 1.00 0.00 O ATOM 283 CB TYR A 18 -5.425 -4.946 2.739 1.00 0.00 C ATOM 284 CG TYR A 18 -5.025 -6.340 2.301 1.00 0.00 C ATOM 285 CD1 TYR A 18 -3.760 -6.574 1.745 1.00 0.00 C ATOM 286 CD2 TYR A 18 -5.924 -7.402 2.458 1.00 0.00 C ATOM 287 CE1 TYR A 18 -3.396 -7.865 1.348 1.00 0.00 C ATOM 288 CE2 TYR A 18 -5.559 -8.694 2.062 1.00 0.00 C ATOM 289 CZ TYR A 18 -4.295 -8.925 1.506 1.00 0.00 C ATOM 290 OH TYR A 18 -3.937 -10.200 1.116 1.00 0.00 O ATOM 0 H TYR A 18 -7.128 -3.452 1.755 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.123 -3.390 1.928 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.934 -4.700 3.681 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.499 -4.910 2.921 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.065 -5.756 1.623 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.900 -7.224 2.885 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.421 -8.043 0.919 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.252 -9.513 2.185 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.331 -10.397 0.241 1.00 0.00 H new ATOM 300 N TRP A 19 -3.618 -4.407 -0.232 1.00 0.00 N ATOM 301 CA TRP A 19 -3.310 -5.038 -1.545 1.00 0.00 C ATOM 302 C TRP A 19 -2.042 -5.885 -1.437 1.00 0.00 C ATOM 303 O TRP A 19 -1.124 -5.558 -0.711 1.00 0.00 O ATOM 304 CB TRP A 19 -3.123 -3.889 -2.546 1.00 0.00 C ATOM 305 CG TRP A 19 -2.445 -2.713 -1.906 1.00 0.00 C ATOM 306 CD1 TRP A 19 -2.912 -2.022 -0.840 1.00 0.00 C ATOM 307 CD2 TRP A 19 -1.197 -2.067 -2.294 1.00 0.00 C ATOM 308 NE1 TRP A 19 -2.028 -1.000 -0.546 1.00 0.00 N ATOM 309 CE2 TRP A 19 -0.955 -0.986 -1.414 1.00 0.00 C ATOM 310 CE3 TRP A 19 -0.258 -2.314 -3.313 1.00 0.00 C ATOM 311 CZ2 TRP A 19 0.175 -0.178 -1.540 1.00 0.00 C ATOM 312 CZ3 TRP A 19 0.881 -1.502 -3.443 1.00 0.00 C ATOM 313 CH2 TRP A 19 1.097 -0.436 -2.558 1.00 0.00 C ATOM 0 H TRP A 19 -2.860 -3.860 0.177 1.00 0.00 H new ATOM 0 HA TRP A 19 -4.111 -5.703 -1.868 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -2.532 -4.235 -3.394 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -4.093 -3.583 -2.937 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -3.826 -2.234 -0.306 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -2.154 -0.337 0.219 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -0.414 -3.133 -3.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.336 0.642 -0.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 1.594 -1.700 -4.229 1.00 0.00 H new ATOM 0 HH2 TRP A 19 1.975 0.185 -2.663 1.00 0.00 H new ATOM 324 N SER A 20 -1.981 -6.971 -2.156 1.00 0.00 N ATOM 325 CA SER A 20 -0.771 -7.836 -2.097 1.00 0.00 C ATOM 326 C SER A 20 -0.073 -7.855 -3.455 1.00 0.00 C ATOM 327 O SER A 20 -0.543 -8.454 -4.402 1.00 0.00 O ATOM 328 CB SER A 20 -1.283 -9.228 -1.743 1.00 0.00 C ATOM 329 OG SER A 20 -2.674 -9.163 -1.455 1.00 0.00 O ATOM 0 H SER A 20 -2.717 -7.297 -2.782 1.00 0.00 H new ATOM 0 HA SER A 20 -0.046 -7.475 -1.367 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.104 -9.914 -2.571 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.740 -9.619 -0.882 1.00 0.00 H new ATOM 0 HG SER A 20 -2.807 -8.752 -0.575 1.00 0.00 H new ATOM 335 N ALA A 21 1.046 -7.202 -3.553 1.00 0.00 N ATOM 336 CA ALA A 21 1.787 -7.172 -4.845 1.00 0.00 C ATOM 337 C ALA A 21 3.248 -6.788 -4.602 1.00 0.00 C ATOM 338 O ALA A 21 3.980 -6.476 -5.520 1.00 0.00 O ATOM 339 CB ALA A 21 1.082 -6.106 -5.683 1.00 0.00 C ATOM 0 H ALA A 21 1.484 -6.684 -2.791 1.00 0.00 H new ATOM 0 HA ALA A 21 1.791 -8.141 -5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.571 -6.024 -6.654 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.038 -6.386 -5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.133 -5.146 -5.169 1.00 0.00 H new ATOM 345 N VAL A 22 3.678 -6.806 -3.370 1.00 0.00 N ATOM 346 CA VAL A 22 5.088 -6.443 -3.065 1.00 0.00 C ATOM 347 C VAL A 22 5.780 -7.611 -2.359 1.00 0.00 C ATOM 348 O VAL A 22 5.342 -8.741 -2.438 1.00 0.00 O ATOM 349 CB VAL A 22 4.997 -5.223 -2.140 1.00 0.00 C ATOM 350 CG1 VAL A 22 5.256 -3.954 -2.951 1.00 0.00 C ATOM 351 CG2 VAL A 22 3.598 -5.145 -1.516 1.00 0.00 C ATOM 0 H VAL A 22 3.111 -7.057 -2.560 1.00 0.00 H new ATOM 0 HA VAL A 22 5.667 -6.222 -3.962 1.00 0.00 H new ATOM 0 HB VAL A 22 5.741 -5.316 -1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.192 -3.085 -2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.251 -4.002 -3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.510 -3.869 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.540 -4.276 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.852 -5.054 -2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.406 -6.049 -0.938 1.00 0.00 H new ATOM 361 N THR A 23 6.854 -7.351 -1.668 1.00 0.00 N ATOM 362 CA THR A 23 7.564 -8.454 -0.960 1.00 0.00 C ATOM 363 C THR A 23 6.959 -8.657 0.431 1.00 0.00 C ATOM 364 O THR A 23 6.080 -7.929 0.846 1.00 0.00 O ATOM 365 CB THR A 23 9.019 -7.995 -0.854 1.00 0.00 C ATOM 366 OG1 THR A 23 9.275 -7.007 -1.843 1.00 0.00 O ATOM 367 CG2 THR A 23 9.950 -9.189 -1.070 1.00 0.00 C ATOM 0 H THR A 23 7.271 -6.426 -1.562 1.00 0.00 H new ATOM 0 HA THR A 23 7.480 -9.404 -1.487 1.00 0.00 H new ATOM 0 HB THR A 23 9.196 -7.574 0.136 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.237 -6.826 -1.883 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.987 -8.861 -0.994 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.753 -9.946 -0.311 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.775 -9.613 -2.059 1.00 0.00 H new ATOM 375 N GLY A 24 7.419 -9.640 1.154 1.00 0.00 N ATOM 376 CA GLY A 24 6.864 -9.883 2.513 1.00 0.00 C ATOM 377 C GLY A 24 6.979 -8.607 3.347 1.00 0.00 C ATOM 378 O GLY A 24 6.007 -7.917 3.581 1.00 0.00 O ATOM 0 H GLY A 24 8.154 -10.284 0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.821 -10.191 2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.404 -10.697 2.998 1.00 0.00 H new ATOM 382 N GLY A 25 8.159 -8.291 3.802 1.00 0.00 N ATOM 383 CA GLY A 25 8.339 -7.062 4.628 1.00 0.00 C ATOM 384 C GLY A 25 8.394 -5.831 3.728 1.00 0.00 C ATOM 385 O GLY A 25 7.980 -4.755 4.109 1.00 0.00 O ATOM 0 H GLY A 25 9.009 -8.831 3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.517 -6.967 5.338 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.257 -7.137 5.211 1.00 0.00 H new ATOM 389 N GLU A 26 8.906 -5.971 2.536 1.00 0.00 N ATOM 390 CA GLU A 26 8.984 -4.792 1.632 1.00 0.00 C ATOM 391 C GLU A 26 7.585 -4.237 1.398 1.00 0.00 C ATOM 392 O GLU A 26 7.386 -3.041 1.316 1.00 0.00 O ATOM 393 CB GLU A 26 9.582 -5.322 0.328 1.00 0.00 C ATOM 394 CG GLU A 26 10.300 -4.186 -0.403 1.00 0.00 C ATOM 395 CD GLU A 26 11.780 -4.183 -0.017 1.00 0.00 C ATOM 396 OE1 GLU A 26 12.514 -4.998 -0.552 1.00 0.00 O ATOM 397 OE2 GLU A 26 12.155 -3.368 0.809 1.00 0.00 O ATOM 0 H GLU A 26 9.270 -6.843 2.153 1.00 0.00 H new ATOM 0 HA GLU A 26 9.588 -3.985 2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.280 -6.132 0.539 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.796 -5.735 -0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.195 -4.310 -1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.845 -3.230 -0.146 1.00 0.00 H new ATOM 404 N ALA A 27 6.608 -5.091 1.310 1.00 0.00 N ATOM 405 CA ALA A 27 5.221 -4.600 1.105 1.00 0.00 C ATOM 406 C ALA A 27 4.815 -3.713 2.281 1.00 0.00 C ATOM 407 O ALA A 27 4.356 -2.602 2.108 1.00 0.00 O ATOM 408 CB ALA A 27 4.353 -5.857 1.061 1.00 0.00 C ATOM 0 H ALA A 27 6.709 -6.104 1.371 1.00 0.00 H new ATOM 0 HA ALA A 27 5.118 -4.008 0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.311 -5.575 0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.678 -6.495 0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.451 -6.400 2.001 1.00 0.00 H new ATOM 414 N ASN A 28 4.984 -4.201 3.480 1.00 0.00 N ATOM 415 CA ASN A 28 4.610 -3.390 4.677 1.00 0.00 C ATOM 416 C ASN A 28 5.567 -2.205 4.858 1.00 0.00 C ATOM 417 O ASN A 28 5.159 -1.112 5.178 1.00 0.00 O ATOM 418 CB ASN A 28 4.711 -4.348 5.866 1.00 0.00 C ATOM 419 CG ASN A 28 4.245 -5.743 5.447 1.00 0.00 C ATOM 420 OD1 ASN A 28 3.105 -5.931 5.073 1.00 0.00 O ATOM 421 ND2 ASN A 28 5.088 -6.735 5.498 1.00 0.00 N ATOM 0 H ASN A 28 5.364 -5.125 3.684 1.00 0.00 H new ATOM 0 HA ASN A 28 3.610 -2.968 4.578 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.739 -4.390 6.225 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.100 -3.983 6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.791 -7.671 5.224 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.045 -6.575 5.812 1.00 0.00 H new ATOM 428 N LEU A 29 6.840 -2.431 4.688 1.00 0.00 N ATOM 429 CA LEU A 29 7.840 -1.336 4.880 1.00 0.00 C ATOM 430 C LEU A 29 7.774 -0.283 3.763 1.00 0.00 C ATOM 431 O LEU A 29 8.048 0.878 3.989 1.00 0.00 O ATOM 432 CB LEU A 29 9.197 -2.041 4.881 1.00 0.00 C ATOM 433 CG LEU A 29 9.695 -2.184 6.322 1.00 0.00 C ATOM 434 CD1 LEU A 29 8.526 -2.546 7.243 1.00 0.00 C ATOM 435 CD2 LEU A 29 10.753 -3.288 6.387 1.00 0.00 C ATOM 0 H LEU A 29 7.236 -3.333 4.422 1.00 0.00 H new ATOM 0 HA LEU A 29 7.650 -0.788 5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.109 -3.023 4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.915 -1.472 4.291 1.00 0.00 H new ATOM 0 HG LEU A 29 10.129 -1.239 6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.887 -2.646 8.267 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.772 -1.760 7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.086 -3.489 6.919 1.00 0.00 H new ATOM 0 HD21 LEU A 29 11.109 -3.391 7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.316 -4.231 6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.589 -3.029 5.737 1.00 0.00 H new ATOM 447 N LEU A 30 7.449 -0.669 2.559 1.00 0.00 N ATOM 448 CA LEU A 30 7.412 0.334 1.449 1.00 0.00 C ATOM 449 C LEU A 30 6.488 1.502 1.798 1.00 0.00 C ATOM 450 O LEU A 30 6.753 2.633 1.445 1.00 0.00 O ATOM 451 CB LEU A 30 6.882 -0.425 0.231 1.00 0.00 C ATOM 452 CG LEU A 30 5.374 -0.634 0.370 1.00 0.00 C ATOM 453 CD1 LEU A 30 4.637 0.619 -0.105 1.00 0.00 C ATOM 454 CD2 LEU A 30 4.945 -1.830 -0.484 1.00 0.00 C ATOM 0 H LEU A 30 7.209 -1.625 2.295 1.00 0.00 H new ATOM 0 HA LEU A 30 8.397 0.763 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.099 0.133 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.386 -1.388 0.143 1.00 0.00 H new ATOM 0 HG LEU A 30 5.130 -0.824 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.562 0.469 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.942 1.472 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.881 0.811 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.870 -1.980 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.191 -1.638 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.469 -2.724 -0.147 1.00 0.00 H new ATOM 466 N LEU A 31 5.415 1.254 2.493 1.00 0.00 N ATOM 467 CA LEU A 31 4.509 2.379 2.856 1.00 0.00 C ATOM 468 C LEU A 31 5.234 3.320 3.821 1.00 0.00 C ATOM 469 O LEU A 31 5.073 4.524 3.776 1.00 0.00 O ATOM 470 CB LEU A 31 3.308 1.728 3.539 1.00 0.00 C ATOM 471 CG LEU A 31 3.781 0.989 4.787 1.00 0.00 C ATOM 472 CD1 LEU A 31 3.866 1.964 5.961 1.00 0.00 C ATOM 473 CD2 LEU A 31 2.794 -0.131 5.123 1.00 0.00 C ATOM 0 H LEU A 31 5.127 0.333 2.823 1.00 0.00 H new ATOM 0 HA LEU A 31 4.202 2.967 1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.572 2.486 3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.817 1.035 2.856 1.00 0.00 H new ATOM 0 HG LEU A 31 4.766 0.561 4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.204 1.433 6.851 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.572 2.760 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.883 2.395 6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.132 -0.659 6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.808 0.296 5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.738 -0.829 4.288 1.00 0.00 H new ATOM 485 N SER A 32 6.036 2.770 4.691 1.00 0.00 N ATOM 486 CA SER A 32 6.787 3.615 5.664 1.00 0.00 C ATOM 487 C SER A 32 7.863 4.430 4.941 1.00 0.00 C ATOM 488 O SER A 32 8.189 5.532 5.336 1.00 0.00 O ATOM 489 CB SER A 32 7.429 2.624 6.635 1.00 0.00 C ATOM 490 OG SER A 32 7.274 1.303 6.133 1.00 0.00 O ATOM 0 H SER A 32 6.205 1.767 4.771 1.00 0.00 H new ATOM 0 HA SER A 32 6.140 4.328 6.175 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.487 2.855 6.761 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.965 2.708 7.618 1.00 0.00 H new ATOM 0 HG SER A 32 8.031 1.083 5.551 1.00 0.00 H new ATOM 496 N ALA A 33 8.429 3.891 3.894 1.00 0.00 N ATOM 497 CA ALA A 33 9.493 4.634 3.161 1.00 0.00 C ATOM 498 C ALA A 33 8.876 5.668 2.214 1.00 0.00 C ATOM 499 O ALA A 33 9.523 6.615 1.816 1.00 0.00 O ATOM 500 CB ALA A 33 10.247 3.565 2.368 1.00 0.00 C ATOM 0 H ALA A 33 8.201 2.971 3.516 1.00 0.00 H new ATOM 0 HA ALA A 33 10.148 5.182 3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.050 4.033 1.799 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.669 2.832 3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.560 3.067 1.684 1.00 0.00 H new ATOM 506 N GLU A 34 7.633 5.502 1.854 1.00 0.00 N ATOM 507 CA GLU A 34 6.996 6.494 0.939 1.00 0.00 C ATOM 508 C GLU A 34 5.826 7.201 1.642 1.00 0.00 C ATOM 509 O GLU A 34 5.957 8.338 2.050 1.00 0.00 O ATOM 510 CB GLU A 34 6.522 5.687 -0.271 1.00 0.00 C ATOM 511 CG GLU A 34 7.613 5.684 -1.344 1.00 0.00 C ATOM 512 CD GLU A 34 7.035 6.199 -2.663 1.00 0.00 C ATOM 513 OE1 GLU A 34 5.898 5.867 -2.957 1.00 0.00 O ATOM 514 OE2 GLU A 34 7.737 6.917 -3.355 1.00 0.00 O ATOM 0 H GLU A 34 7.035 4.731 2.150 1.00 0.00 H new ATOM 0 HA GLU A 34 7.688 7.281 0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.290 4.665 0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.605 6.118 -0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.447 6.312 -1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.005 4.676 -1.476 1.00 0.00 H new ATOM 521 N PRO A 35 4.715 6.514 1.768 1.00 0.00 N ATOM 522 CA PRO A 35 3.534 7.115 2.438 1.00 0.00 C ATOM 523 C PRO A 35 3.761 7.195 3.951 1.00 0.00 C ATOM 524 O PRO A 35 3.153 6.476 4.717 1.00 0.00 O ATOM 525 CB PRO A 35 2.404 6.143 2.115 1.00 0.00 C ATOM 526 CG PRO A 35 3.082 4.836 1.866 1.00 0.00 C ATOM 527 CD PRO A 35 4.449 5.145 1.312 1.00 0.00 C ATOM 0 HA PRO A 35 3.326 8.132 2.105 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.697 6.070 2.941 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.840 6.469 1.241 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.161 4.261 2.789 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.509 4.232 1.163 1.00 0.00 H new ATOM 0 HD2 PRO A 35 5.198 4.447 1.686 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.464 5.077 0.224 1.00 0.00 H new ATOM 535 N ALA A 36 4.631 8.064 4.387 1.00 0.00 N ATOM 536 CA ALA A 36 4.893 8.186 5.851 1.00 0.00 C ATOM 537 C ALA A 36 3.584 8.433 6.607 1.00 0.00 C ATOM 538 O ALA A 36 2.719 9.154 6.150 1.00 0.00 O ATOM 539 CB ALA A 36 5.824 9.388 5.989 1.00 0.00 C ATOM 0 H ALA A 36 5.172 8.694 3.795 1.00 0.00 H new ATOM 0 HA ALA A 36 5.333 7.279 6.266 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.064 9.544 7.041 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.742 9.203 5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.332 10.277 5.594 1.00 0.00 H new ATOM 545 N GLY A 37 3.433 7.840 7.761 1.00 0.00 N ATOM 546 CA GLY A 37 2.181 8.042 8.545 1.00 0.00 C ATOM 547 C GLY A 37 1.080 7.146 7.979 1.00 0.00 C ATOM 548 O GLY A 37 -0.093 7.357 8.217 1.00 0.00 O ATOM 0 H GLY A 37 4.122 7.225 8.194 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.354 7.806 9.595 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.874 9.087 8.499 1.00 0.00 H new ATOM 552 N THR A 38 1.451 6.147 7.228 1.00 0.00 N ATOM 553 CA THR A 38 0.433 5.231 6.636 1.00 0.00 C ATOM 554 C THR A 38 0.868 3.775 6.820 1.00 0.00 C ATOM 555 O THR A 38 2.042 3.469 6.820 1.00 0.00 O ATOM 556 CB THR A 38 0.377 5.597 5.153 1.00 0.00 C ATOM 557 OG1 THR A 38 0.896 6.907 4.971 1.00 0.00 O ATOM 558 CG2 THR A 38 -1.072 5.549 4.669 1.00 0.00 C ATOM 0 H THR A 38 2.419 5.924 6.997 1.00 0.00 H new ATOM 0 HA THR A 38 -0.542 5.334 7.111 1.00 0.00 H new ATOM 0 HB THR A 38 0.973 4.887 4.580 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.856 6.909 5.168 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.111 5.810 3.611 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.469 4.544 4.810 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.670 6.259 5.240 1.00 0.00 H new ATOM 566 N PHE A 39 -0.063 2.875 6.987 1.00 0.00 N ATOM 567 CA PHE A 39 0.313 1.442 7.180 1.00 0.00 C ATOM 568 C PHE A 39 -0.358 0.571 6.114 1.00 0.00 C ATOM 569 O PHE A 39 -1.294 0.985 5.459 1.00 0.00 O ATOM 570 CB PHE A 39 -0.204 1.070 8.574 1.00 0.00 C ATOM 571 CG PHE A 39 -0.308 2.313 9.427 1.00 0.00 C ATOM 572 CD1 PHE A 39 0.835 3.077 9.692 1.00 0.00 C ATOM 573 CD2 PHE A 39 -1.547 2.701 9.948 1.00 0.00 C ATOM 574 CE1 PHE A 39 0.737 4.229 10.479 1.00 0.00 C ATOM 575 CE2 PHE A 39 -1.644 3.854 10.735 1.00 0.00 C ATOM 576 CZ PHE A 39 -0.502 4.618 11.001 1.00 0.00 C ATOM 0 H PHE A 39 -1.065 3.067 6.998 1.00 0.00 H new ATOM 0 HA PHE A 39 1.388 1.287 7.092 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.179 0.589 8.494 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.469 0.351 9.042 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.791 2.777 9.289 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.428 2.111 9.743 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.618 4.819 10.684 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.600 4.154 11.137 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.577 5.508 11.609 1.00 0.00 H new ATOM 586 N LEU A 40 0.119 -0.631 5.927 1.00 0.00 N ATOM 587 CA LEU A 40 -0.488 -1.521 4.896 1.00 0.00 C ATOM 588 C LEU A 40 -0.307 -2.991 5.277 1.00 0.00 C ATOM 589 O LEU A 40 0.562 -3.343 6.049 1.00 0.00 O ATOM 590 CB LEU A 40 0.281 -1.211 3.610 1.00 0.00 C ATOM 591 CG LEU A 40 -0.213 -2.117 2.481 1.00 0.00 C ATOM 592 CD1 LEU A 40 0.102 -1.470 1.134 1.00 0.00 C ATOM 593 CD2 LEU A 40 0.496 -3.470 2.557 1.00 0.00 C ATOM 0 H LEU A 40 0.901 -1.034 6.443 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.560 -1.352 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.143 -0.165 3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.349 -1.361 3.769 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.289 -2.259 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.250 -2.115 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.398 -0.503 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.179 -1.329 1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.141 -4.112 1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.571 -3.323 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.281 -3.940 3.517 1.00 0.00 H new ATOM 605 N ILE A 41 -1.115 -3.854 4.726 1.00 0.00 N ATOM 606 CA ILE A 41 -0.990 -5.304 5.041 1.00 0.00 C ATOM 607 C ILE A 41 -0.683 -6.082 3.756 1.00 0.00 C ATOM 608 O ILE A 41 -1.354 -5.930 2.754 1.00 0.00 O ATOM 609 CB ILE A 41 -2.354 -5.703 5.612 1.00 0.00 C ATOM 610 CG1 ILE A 41 -2.158 -6.729 6.735 1.00 0.00 C ATOM 611 CG2 ILE A 41 -3.223 -6.301 4.506 1.00 0.00 C ATOM 612 CD1 ILE A 41 -2.358 -8.145 6.194 1.00 0.00 C ATOM 0 H ILE A 41 -1.858 -3.616 4.069 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.185 -5.518 5.744 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.851 -4.820 6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.158 -6.631 7.157 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.865 -6.536 7.542 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.192 -6.583 4.917 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.365 -5.564 3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.733 -7.183 4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.217 -8.866 6.999 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.367 -8.242 5.793 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.633 -8.338 5.403 1.00 0.00 H new ATOM 624 N ARG A 42 0.325 -6.907 3.768 1.00 0.00 N ATOM 625 CA ARG A 42 0.666 -7.678 2.537 1.00 0.00 C ATOM 626 C ARG A 42 0.392 -9.169 2.750 1.00 0.00 C ATOM 627 O ARG A 42 0.397 -9.658 3.861 1.00 0.00 O ATOM 628 CB ARG A 42 2.161 -7.438 2.321 1.00 0.00 C ATOM 629 CG ARG A 42 2.953 -8.074 3.466 1.00 0.00 C ATOM 630 CD ARG A 42 3.259 -9.536 3.131 1.00 0.00 C ATOM 631 NE ARG A 42 4.377 -9.913 4.040 1.00 0.00 N ATOM 632 CZ ARG A 42 4.546 -11.159 4.393 1.00 0.00 C ATOM 633 NH1 ARG A 42 3.741 -12.084 3.945 1.00 0.00 N ATOM 634 NH2 ARG A 42 5.523 -11.481 5.196 1.00 0.00 N ATOM 0 H ARG A 42 0.927 -7.082 4.573 1.00 0.00 H new ATOM 0 HA ARG A 42 0.072 -7.365 1.679 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.474 -7.864 1.368 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.365 -6.368 2.274 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.881 -7.526 3.628 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.382 -8.015 4.393 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.387 -10.169 3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.545 -9.650 2.085 1.00 0.00 H new ATOM 0 HE ARG A 42 5.013 -9.195 4.388 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.977 -11.835 3.317 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.876 -13.056 4.223 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.153 -10.760 5.547 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.656 -12.454 5.473 1.00 0.00 H new ATOM 648 N ASP A 43 0.154 -9.894 1.690 1.00 0.00 N ATOM 649 CA ASP A 43 -0.120 -11.354 1.830 1.00 0.00 C ATOM 650 C ASP A 43 1.140 -12.162 1.506 1.00 0.00 C ATOM 651 O ASP A 43 1.796 -11.935 0.509 1.00 0.00 O ATOM 652 CB ASP A 43 -1.222 -11.649 0.814 1.00 0.00 C ATOM 653 CG ASP A 43 -1.888 -12.983 1.157 1.00 0.00 C ATOM 654 OD1 ASP A 43 -1.869 -13.350 2.320 1.00 0.00 O ATOM 655 OD2 ASP A 43 -2.405 -13.615 0.251 1.00 0.00 O ATOM 0 H ASP A 43 0.137 -9.539 0.734 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.418 -11.623 2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.962 -10.849 0.821 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.803 -11.687 -0.192 1.00 0.00 H new ATOM 660 N SER A 44 1.483 -13.104 2.342 1.00 0.00 N ATOM 661 CA SER A 44 2.700 -13.927 2.082 1.00 0.00 C ATOM 662 C SER A 44 2.611 -14.584 0.703 1.00 0.00 C ATOM 663 O SER A 44 1.538 -14.818 0.184 1.00 0.00 O ATOM 664 CB SER A 44 2.705 -14.988 3.181 1.00 0.00 C ATOM 665 OG SER A 44 1.776 -14.622 4.194 1.00 0.00 O ATOM 0 H SER A 44 0.974 -13.340 3.194 1.00 0.00 H new ATOM 0 HA SER A 44 3.611 -13.328 2.090 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.442 -15.960 2.765 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.704 -15.083 3.606 1.00 0.00 H new ATOM 0 HG SER A 44 0.894 -14.991 3.978 1.00 0.00 H new ATOM 735 N HIS A 49 -1.071 -19.555 4.618 1.00 0.00 N ATOM 736 CA HIS A 49 -0.458 -18.986 5.853 1.00 0.00 C ATOM 737 C HIS A 49 -1.323 -17.845 6.397 1.00 0.00 C ATOM 738 O HIS A 49 -2.253 -18.064 7.146 1.00 0.00 O ATOM 739 CB HIS A 49 0.910 -18.461 5.411 1.00 0.00 C ATOM 740 CG HIS A 49 1.778 -19.614 4.989 1.00 0.00 C ATOM 741 ND1 HIS A 49 2.430 -19.641 3.766 1.00 0.00 N ATOM 742 CD2 HIS A 49 2.113 -20.789 5.618 1.00 0.00 C ATOM 743 CE1 HIS A 49 3.116 -20.797 3.698 1.00 0.00 C ATOM 744 NE2 HIS A 49 2.957 -21.533 4.801 1.00 0.00 N ATOM 0 HA HIS A 49 -0.372 -19.725 6.650 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.792 -17.759 4.585 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.383 -17.916 6.228 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.772 -21.089 6.598 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.721 -21.093 2.854 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.367 -22.445 5.001 1.00 0.00 H new ATOM 752 N PHE A 50 -1.022 -16.630 6.027 1.00 0.00 N ATOM 753 CA PHE A 50 -1.828 -15.476 6.525 1.00 0.00 C ATOM 754 C PHE A 50 -1.212 -14.159 6.044 1.00 0.00 C ATOM 755 O PHE A 50 -0.189 -14.146 5.390 1.00 0.00 O ATOM 756 CB PHE A 50 -1.759 -15.574 8.048 1.00 0.00 C ATOM 757 CG PHE A 50 -0.330 -15.817 8.472 1.00 0.00 C ATOM 758 CD1 PHE A 50 0.587 -14.760 8.479 1.00 0.00 C ATOM 759 CD2 PHE A 50 0.077 -17.100 8.859 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.912 -14.985 8.872 1.00 0.00 C ATOM 761 CE2 PHE A 50 1.402 -17.325 9.252 1.00 0.00 C ATOM 762 CZ PHE A 50 2.319 -16.267 9.258 1.00 0.00 C ATOM 0 H PHE A 50 -0.254 -16.385 5.402 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.855 -15.500 6.162 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.132 -14.655 8.500 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.397 -16.384 8.400 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.273 -13.771 8.181 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.631 -17.916 8.854 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.620 -14.169 8.877 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.716 -18.314 9.550 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.341 -16.440 9.561 1.00 0.00 H new ATOM 772 N PHE A 51 -1.824 -13.049 6.363 1.00 0.00 N ATOM 773 CA PHE A 51 -1.259 -11.742 5.921 1.00 0.00 C ATOM 774 C PHE A 51 -0.838 -10.907 7.135 1.00 0.00 C ATOM 775 O PHE A 51 -1.416 -11.005 8.199 1.00 0.00 O ATOM 776 CB PHE A 51 -2.383 -11.056 5.141 1.00 0.00 C ATOM 777 CG PHE A 51 -3.694 -11.181 5.885 1.00 0.00 C ATOM 778 CD1 PHE A 51 -3.885 -10.521 7.109 1.00 0.00 C ATOM 779 CD2 PHE A 51 -4.732 -11.945 5.336 1.00 0.00 C ATOM 780 CE1 PHE A 51 -5.108 -10.632 7.777 1.00 0.00 C ATOM 781 CE2 PHE A 51 -5.955 -12.052 6.007 1.00 0.00 C ATOM 782 CZ PHE A 51 -6.143 -11.396 7.226 1.00 0.00 C ATOM 0 H PHE A 51 -2.685 -12.991 6.907 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.368 -11.866 5.306 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.141 -10.004 4.992 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.475 -11.505 4.152 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.088 -9.928 7.534 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.588 -12.452 4.393 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.254 -10.127 8.720 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.754 -12.642 5.582 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.087 -11.478 7.743 1.00 0.00 H new ATOM 792 N THR A 52 0.178 -10.098 6.986 1.00 0.00 N ATOM 793 CA THR A 52 0.652 -9.269 8.136 1.00 0.00 C ATOM 794 C THR A 52 0.724 -7.787 7.748 1.00 0.00 C ATOM 795 O THR A 52 0.872 -7.444 6.592 1.00 0.00 O ATOM 796 CB THR A 52 2.050 -9.802 8.457 1.00 0.00 C ATOM 797 OG1 THR A 52 3.001 -9.168 7.614 1.00 0.00 O ATOM 798 CG2 THR A 52 2.093 -11.314 8.229 1.00 0.00 C ATOM 0 H THR A 52 0.700 -9.975 6.119 1.00 0.00 H new ATOM 0 HA THR A 52 -0.023 -9.336 8.989 1.00 0.00 H new ATOM 0 HB THR A 52 2.286 -9.590 9.500 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.897 -9.507 7.819 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.091 -11.688 8.459 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.364 -11.801 8.877 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.855 -11.532 7.188 1.00 0.00 H new ATOM 806 N LEU A 53 0.633 -6.908 8.712 1.00 0.00 N ATOM 807 CA LEU A 53 0.710 -5.448 8.405 1.00 0.00 C ATOM 808 C LEU A 53 1.826 -4.798 9.222 1.00 0.00 C ATOM 809 O LEU A 53 2.182 -5.260 10.288 1.00 0.00 O ATOM 810 CB LEU A 53 -0.646 -4.872 8.821 1.00 0.00 C ATOM 811 CG LEU A 53 -0.577 -3.340 8.847 1.00 0.00 C ATOM 812 CD1 LEU A 53 -1.996 -2.771 8.831 1.00 0.00 C ATOM 813 CD2 LEU A 53 0.137 -2.868 10.118 1.00 0.00 C ATOM 0 H LEU A 53 0.509 -7.138 9.698 1.00 0.00 H new ATOM 0 HA LEU A 53 0.925 -5.265 7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.418 -5.198 8.125 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.924 -5.249 9.805 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.025 -2.993 7.974 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.952 -1.682 8.849 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.509 -3.098 7.927 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.541 -3.127 9.706 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.181 -1.779 10.127 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.411 -3.217 10.994 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.149 -3.272 10.138 1.00 0.00 H new ATOM 825 N SER A 54 2.368 -3.719 8.736 1.00 0.00 N ATOM 826 CA SER A 54 3.448 -3.021 9.487 1.00 0.00 C ATOM 827 C SER A 54 3.232 -1.509 9.397 1.00 0.00 C ATOM 828 O SER A 54 2.627 -1.017 8.466 1.00 0.00 O ATOM 829 CB SER A 54 4.749 -3.428 8.799 1.00 0.00 C ATOM 830 OG SER A 54 5.049 -2.494 7.770 1.00 0.00 O ATOM 0 H SER A 54 2.110 -3.288 7.848 1.00 0.00 H new ATOM 0 HA SER A 54 3.463 -3.285 10.544 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.562 -3.461 9.524 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.654 -4.430 8.380 1.00 0.00 H new ATOM 0 HG SER A 54 5.721 -1.858 8.092 1.00 0.00 H new ATOM 836 N VAL A 55 3.705 -0.769 10.358 1.00 0.00 N ATOM 837 CA VAL A 55 3.501 0.708 10.318 1.00 0.00 C ATOM 838 C VAL A 55 4.823 1.446 10.550 1.00 0.00 C ATOM 839 O VAL A 55 5.840 0.848 10.840 1.00 0.00 O ATOM 840 CB VAL A 55 2.521 0.995 11.455 1.00 0.00 C ATOM 841 CG1 VAL A 55 1.401 -0.048 11.438 1.00 0.00 C ATOM 842 CG2 VAL A 55 3.257 0.927 12.795 1.00 0.00 C ATOM 0 H VAL A 55 4.221 -1.118 11.166 1.00 0.00 H new ATOM 0 HA VAL A 55 3.125 1.044 9.352 1.00 0.00 H new ATOM 0 HB VAL A 55 2.096 1.990 11.324 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.702 0.156 12.249 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.875 -0.001 10.485 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.828 -1.042 11.569 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.557 1.132 13.605 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.683 -0.068 12.926 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.056 1.668 12.809 1.00 0.00 H new ATOM 852 N LYS A 56 4.809 2.745 10.423 1.00 0.00 N ATOM 853 CA LYS A 56 6.056 3.533 10.634 1.00 0.00 C ATOM 854 C LYS A 56 5.869 4.512 11.796 1.00 0.00 C ATOM 855 O LYS A 56 4.831 5.129 11.938 1.00 0.00 O ATOM 856 CB LYS A 56 6.265 4.293 9.323 1.00 0.00 C ATOM 857 CG LYS A 56 7.762 4.404 9.029 1.00 0.00 C ATOM 858 CD LYS A 56 8.326 5.649 9.717 1.00 0.00 C ATOM 859 CE LYS A 56 9.029 6.530 8.682 1.00 0.00 C ATOM 860 NZ LYS A 56 10.483 6.356 8.953 1.00 0.00 N ATOM 0 H LYS A 56 3.985 3.296 10.181 1.00 0.00 H new ATOM 0 HA LYS A 56 6.910 2.902 10.883 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.761 3.776 8.507 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.823 5.287 9.392 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.280 3.513 9.384 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.929 4.463 7.953 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.523 6.206 10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.027 5.359 10.500 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.777 6.224 7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.730 7.573 8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.032 6.930 8.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.694 6.662 9.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.739 5.354 8.842 1.00 0.00 H new ATOM 874 N THR A 57 6.863 4.662 12.628 1.00 0.00 N ATOM 875 CA THR A 57 6.736 5.602 13.779 1.00 0.00 C ATOM 876 C THR A 57 8.060 5.687 14.542 1.00 0.00 C ATOM 877 O THR A 57 8.792 4.723 14.643 1.00 0.00 O ATOM 878 CB THR A 57 5.644 4.999 14.664 1.00 0.00 C ATOM 879 OG1 THR A 57 5.379 3.666 14.249 1.00 0.00 O ATOM 880 CG2 THR A 57 4.368 5.835 14.546 1.00 0.00 C ATOM 0 H THR A 57 7.757 4.175 12.561 1.00 0.00 H new ATOM 0 HA THR A 57 6.489 6.615 13.460 1.00 0.00 H new ATOM 0 HB THR A 57 5.979 4.996 15.701 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.443 3.445 14.437 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.591 5.404 15.177 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.571 6.857 14.867 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.031 5.841 13.509 1.00 0.00 H new ATOM 888 N GLN A 58 8.372 6.834 15.081 1.00 0.00 N ATOM 889 CA GLN A 58 9.649 6.979 15.837 1.00 0.00 C ATOM 890 C GLN A 58 10.842 6.843 14.889 1.00 0.00 C ATOM 891 O GLN A 58 11.641 7.746 14.744 1.00 0.00 O ATOM 892 CB GLN A 58 9.639 5.838 16.856 1.00 0.00 C ATOM 893 CG GLN A 58 10.552 6.193 18.030 1.00 0.00 C ATOM 894 CD GLN A 58 11.677 5.162 18.133 1.00 0.00 C ATOM 895 OE1 GLN A 58 11.426 3.977 18.216 1.00 0.00 O ATOM 896 NE2 GLN A 58 12.918 5.567 18.132 1.00 0.00 N ATOM 0 H GLN A 58 7.799 7.676 15.031 1.00 0.00 H new ATOM 0 HA GLN A 58 9.736 7.953 16.318 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.624 5.663 17.212 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.976 4.914 16.386 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.970 7.190 17.891 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.978 6.215 18.957 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.130 6.562 18.062 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.676 4.888 18.201 1.00 0.00 H new ATOM 905 N SER A 59 10.966 5.716 14.244 1.00 0.00 N ATOM 906 CA SER A 59 12.105 5.508 13.302 1.00 0.00 C ATOM 907 C SER A 59 12.225 4.023 12.953 1.00 0.00 C ATOM 908 O SER A 59 12.773 3.657 11.933 1.00 0.00 O ATOM 909 CB SER A 59 13.345 5.980 14.062 1.00 0.00 C ATOM 910 OG SER A 59 14.451 5.159 13.711 1.00 0.00 O ATOM 0 H SER A 59 10.326 4.926 14.328 1.00 0.00 H new ATOM 0 HA SER A 59 11.974 6.051 12.366 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.559 7.021 13.821 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.168 5.932 15.136 1.00 0.00 H new ATOM 0 HG SER A 59 15.248 5.460 14.195 1.00 0.00 H new ATOM 916 N GLY A 60 11.713 3.168 13.795 1.00 0.00 N ATOM 917 CA GLY A 60 11.794 1.706 13.514 1.00 0.00 C ATOM 918 C GLY A 60 10.422 1.191 13.079 1.00 0.00 C ATOM 919 O GLY A 60 9.465 1.232 13.829 1.00 0.00 O ATOM 0 H GLY A 60 11.242 3.418 14.665 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.530 1.516 12.732 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.129 1.172 14.404 1.00 0.00 H new ATOM 923 N THR A 61 10.314 0.704 11.873 1.00 0.00 N ATOM 924 CA THR A 61 9.001 0.186 11.391 1.00 0.00 C ATOM 925 C THR A 61 8.944 -1.337 11.546 1.00 0.00 C ATOM 926 O THR A 61 9.702 -2.062 10.932 1.00 0.00 O ATOM 927 CB THR A 61 8.938 0.577 9.914 1.00 0.00 C ATOM 928 OG1 THR A 61 7.707 0.134 9.361 1.00 0.00 O ATOM 929 CG2 THR A 61 10.101 -0.073 9.161 1.00 0.00 C ATOM 0 H THR A 61 11.078 0.642 11.200 1.00 0.00 H new ATOM 0 HA THR A 61 8.164 0.595 11.957 1.00 0.00 H new ATOM 0 HB THR A 61 9.010 1.661 9.822 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.046 0.027 10.077 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.055 0.207 8.109 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.045 0.268 9.586 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.033 -1.157 9.252 1.00 0.00 H new ATOM 937 N LYS A 62 8.051 -1.828 12.361 1.00 0.00 N ATOM 938 CA LYS A 62 7.945 -3.304 12.552 1.00 0.00 C ATOM 939 C LYS A 62 6.692 -3.837 11.853 1.00 0.00 C ATOM 940 O LYS A 62 5.781 -3.096 11.542 1.00 0.00 O ATOM 941 CB LYS A 62 7.844 -3.500 14.064 1.00 0.00 C ATOM 942 CG LYS A 62 9.227 -3.836 14.629 1.00 0.00 C ATOM 943 CD LYS A 62 9.859 -2.573 15.216 1.00 0.00 C ATOM 944 CE LYS A 62 11.302 -2.447 14.719 1.00 0.00 C ATOM 945 NZ LYS A 62 11.407 -1.054 14.199 1.00 0.00 N ATOM 0 H LYS A 62 7.390 -1.272 12.903 1.00 0.00 H new ATOM 0 HA LYS A 62 8.795 -3.840 12.129 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.458 -2.595 14.534 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.142 -4.302 14.291 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.141 -4.603 15.398 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.864 -4.243 13.843 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.284 -1.695 14.922 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.840 -2.616 16.305 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.014 -2.623 15.525 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.517 -3.177 13.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.409 -0.786 14.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.964 -1.000 13.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.921 -0.403 14.849 1.00 0.00 H new ATOM 959 N ASN A 63 6.639 -5.117 11.601 1.00 0.00 N ATOM 960 CA ASN A 63 5.444 -5.694 10.918 1.00 0.00 C ATOM 961 C ASN A 63 4.762 -6.730 11.817 1.00 0.00 C ATOM 962 O ASN A 63 5.409 -7.557 12.429 1.00 0.00 O ATOM 963 CB ASN A 63 5.993 -6.361 9.655 1.00 0.00 C ATOM 964 CG ASN A 63 7.027 -5.444 8.999 1.00 0.00 C ATOM 965 OD1 ASN A 63 6.751 -4.818 7.995 1.00 0.00 O ATOM 966 ND2 ASN A 63 8.217 -5.342 9.525 1.00 0.00 N ATOM 0 H ASN A 63 7.370 -5.788 11.838 1.00 0.00 H new ATOM 0 HA ASN A 63 4.696 -4.935 10.689 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.449 -7.319 9.906 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.181 -6.567 8.958 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.915 -4.737 9.093 1.00 0.00 H new ATOM 0 HD22 ASN A 63 8.449 -5.868 10.368 1.00 0.00 H new ATOM 973 N LEU A 64 3.461 -6.690 11.901 1.00 0.00 N ATOM 974 CA LEU A 64 2.737 -7.673 12.759 1.00 0.00 C ATOM 975 C LEU A 64 2.080 -8.749 11.889 1.00 0.00 C ATOM 976 O LEU A 64 1.352 -8.452 10.963 1.00 0.00 O ATOM 977 CB LEU A 64 1.676 -6.847 13.487 1.00 0.00 C ATOM 978 CG LEU A 64 2.312 -6.120 14.676 1.00 0.00 C ATOM 979 CD1 LEU A 64 2.477 -7.094 15.842 1.00 0.00 C ATOM 980 CD2 LEU A 64 3.685 -5.574 14.273 1.00 0.00 C ATOM 0 H LEU A 64 2.867 -6.020 11.413 1.00 0.00 H new ATOM 0 HA LEU A 64 3.400 -8.190 13.453 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.231 -6.125 12.803 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.871 -7.495 13.833 1.00 0.00 H new ATOM 0 HG LEU A 64 1.668 -5.294 14.978 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.930 -6.576 16.688 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.501 -7.481 16.134 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.119 -7.921 15.537 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.134 -5.058 15.121 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.329 -6.399 13.967 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.570 -4.877 13.443 1.00 0.00 H new ATOM 992 N ARG A 65 2.335 -9.996 12.176 1.00 0.00 N ATOM 993 CA ARG A 65 1.729 -11.090 11.361 1.00 0.00 C ATOM 994 C ARG A 65 0.823 -11.966 12.230 1.00 0.00 C ATOM 995 O ARG A 65 1.155 -12.300 13.350 1.00 0.00 O ATOM 996 CB ARG A 65 2.918 -11.904 10.848 1.00 0.00 C ATOM 997 CG ARG A 65 3.540 -12.684 12.008 1.00 0.00 C ATOM 998 CD ARG A 65 3.087 -14.144 11.942 1.00 0.00 C ATOM 999 NE ARG A 65 3.860 -14.835 13.011 1.00 0.00 N ATOM 1000 CZ ARG A 65 3.502 -14.715 14.261 1.00 0.00 C ATOM 1001 NH1 ARG A 65 2.465 -13.987 14.577 1.00 0.00 N ATOM 1002 NH2 ARG A 65 4.178 -15.325 15.195 1.00 0.00 N ATOM 0 H ARG A 65 2.937 -10.306 12.939 1.00 0.00 H new ATOM 0 HA ARG A 65 1.112 -10.703 10.550 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.592 -12.591 10.067 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.660 -11.242 10.401 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.627 -12.627 11.957 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.242 -12.242 12.959 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.014 -14.232 12.111 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.293 -14.577 10.963 1.00 0.00 H new ATOM 0 HE ARG A 65 4.671 -15.403 12.766 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.934 -13.512 13.847 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.186 -13.894 15.554 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.987 -15.896 14.949 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.898 -15.231 16.171 1.00 0.00 H new ATOM 1016 N ILE A 66 -0.318 -12.348 11.720 1.00 0.00 N ATOM 1017 CA ILE A 66 -1.237 -13.209 12.516 1.00 0.00 C ATOM 1018 C ILE A 66 -0.818 -14.677 12.397 1.00 0.00 C ATOM 1019 O ILE A 66 -0.298 -15.104 11.385 1.00 0.00 O ATOM 1020 CB ILE A 66 -2.617 -12.994 11.897 1.00 0.00 C ATOM 1021 CG1 ILE A 66 -3.676 -13.668 12.770 1.00 0.00 C ATOM 1022 CG2 ILE A 66 -2.649 -13.605 10.496 1.00 0.00 C ATOM 1023 CD1 ILE A 66 -4.347 -12.618 13.656 1.00 0.00 C ATOM 0 H ILE A 66 -0.652 -12.101 10.788 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.224 -12.959 13.577 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.824 -11.926 11.832 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.420 -14.160 12.144 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.217 -14.441 13.387 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.634 -13.452 10.055 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.893 -13.126 9.873 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.443 -14.673 10.560 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.102 -13.097 14.279 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.598 -12.146 14.292 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.820 -11.862 13.029 1.00 0.00 H new ATOM 1035 N GLN A 67 -1.039 -15.454 13.422 1.00 0.00 N ATOM 1036 CA GLN A 67 -0.651 -16.893 13.364 1.00 0.00 C ATOM 1037 C GLN A 67 -1.899 -17.779 13.376 1.00 0.00 C ATOM 1038 O GLN A 67 -2.923 -17.419 13.921 1.00 0.00 O ATOM 1039 CB GLN A 67 0.186 -17.128 14.623 1.00 0.00 C ATOM 1040 CG GLN A 67 0.514 -18.617 14.748 1.00 0.00 C ATOM 1041 CD GLN A 67 1.809 -18.920 13.992 1.00 0.00 C ATOM 1042 OE1 GLN A 67 2.855 -18.397 14.320 1.00 0.00 O ATOM 1043 NE2 GLN A 67 1.783 -19.751 12.986 1.00 0.00 N ATOM 0 H GLN A 67 -1.471 -15.156 14.296 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.099 -17.136 12.456 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.106 -16.545 14.575 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.360 -16.790 15.504 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.621 -18.890 15.798 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.303 -19.215 14.345 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.905 -20.191 12.710 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.641 -19.961 12.476 1.00 0.00 H new ATOM 1052 N CYS A 68 -1.823 -18.936 12.776 1.00 0.00 N ATOM 1053 CA CYS A 68 -3.005 -19.844 12.753 1.00 0.00 C ATOM 1054 C CYS A 68 -2.835 -20.961 13.787 1.00 0.00 C ATOM 1055 O CYS A 68 -1.832 -21.645 13.816 1.00 0.00 O ATOM 1056 CB CYS A 68 -3.034 -20.422 11.338 1.00 0.00 C ATOM 1057 SG CYS A 68 -4.517 -21.438 11.132 1.00 0.00 S ATOM 0 H CYS A 68 -0.993 -19.292 12.301 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.930 -19.323 12.999 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.028 -19.616 10.604 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.142 -21.022 11.160 1.00 0.00 H new ATOM 0 HG CYS A 68 -4.222 -22.503 10.447 1.00 0.00 H new ATOM 1063 N GLU A 69 -3.809 -21.150 14.634 1.00 0.00 N ATOM 1064 CA GLU A 69 -3.702 -22.224 15.665 1.00 0.00 C ATOM 1065 C GLU A 69 -4.859 -23.216 15.514 1.00 0.00 C ATOM 1066 O GLU A 69 -5.976 -22.945 15.909 1.00 0.00 O ATOM 1067 CB GLU A 69 -3.791 -21.495 17.005 1.00 0.00 C ATOM 1068 CG GLU A 69 -2.958 -22.242 18.049 1.00 0.00 C ATOM 1069 CD GLU A 69 -2.296 -21.236 18.992 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -3.020 -20.533 19.678 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -1.077 -21.183 19.011 1.00 0.00 O ATOM 0 H GLU A 69 -4.673 -20.609 14.658 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.779 -22.796 15.574 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.429 -20.472 16.899 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.830 -21.434 17.329 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.592 -22.924 18.615 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.198 -22.849 17.557 1.00 0.00 H new ATOM 1078 N GLY A 70 -4.600 -24.362 14.947 1.00 0.00 N ATOM 1079 CA GLY A 70 -5.685 -25.369 14.773 1.00 0.00 C ATOM 1080 C GLY A 70 -6.730 -24.829 13.797 1.00 0.00 C ATOM 1081 O GLY A 70 -6.874 -25.316 12.693 1.00 0.00 O ATOM 0 H GLY A 70 -3.685 -24.645 14.597 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.271 -26.305 14.398 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.149 -25.589 15.734 1.00 0.00 H new ATOM 1085 N GLY A 71 -7.463 -23.825 14.194 1.00 0.00 N ATOM 1086 CA GLY A 71 -8.499 -23.252 13.289 1.00 0.00 C ATOM 1087 C GLY A 71 -8.801 -21.812 13.705 1.00 0.00 C ATOM 1088 O GLY A 71 -9.887 -21.310 13.496 1.00 0.00 O ATOM 0 H GLY A 71 -7.389 -23.376 15.107 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.150 -23.278 12.257 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.408 -23.852 13.333 1.00 0.00 H new ATOM 1092 N SER A 72 -7.847 -21.142 14.292 1.00 0.00 N ATOM 1093 CA SER A 72 -8.081 -19.734 14.721 1.00 0.00 C ATOM 1094 C SER A 72 -6.873 -18.864 14.359 1.00 0.00 C ATOM 1095 O SER A 72 -5.791 -19.360 14.117 1.00 0.00 O ATOM 1096 CB SER A 72 -8.253 -19.805 16.238 1.00 0.00 C ATOM 1097 OG SER A 72 -7.288 -20.698 16.779 1.00 0.00 O ATOM 0 H SER A 72 -6.917 -21.508 14.493 1.00 0.00 H new ATOM 0 HA SER A 72 -8.950 -19.293 14.232 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.134 -18.814 16.676 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.259 -20.144 16.486 1.00 0.00 H new ATOM 0 HG SER A 72 -7.395 -20.745 17.752 1.00 0.00 H new ATOM 1103 N PHE A 73 -7.050 -17.572 14.318 1.00 0.00 N ATOM 1104 CA PHE A 73 -5.910 -16.675 13.969 1.00 0.00 C ATOM 1105 C PHE A 73 -5.515 -15.825 15.181 1.00 0.00 C ATOM 1106 O PHE A 73 -6.336 -15.502 16.017 1.00 0.00 O ATOM 1107 CB PHE A 73 -6.437 -15.789 12.840 1.00 0.00 C ATOM 1108 CG PHE A 73 -5.954 -16.323 11.512 1.00 0.00 C ATOM 1109 CD1 PHE A 73 -5.691 -17.691 11.358 1.00 0.00 C ATOM 1110 CD2 PHE A 73 -5.767 -15.451 10.433 1.00 0.00 C ATOM 1111 CE1 PHE A 73 -5.242 -18.183 10.127 1.00 0.00 C ATOM 1112 CE2 PHE A 73 -5.319 -15.943 9.203 1.00 0.00 C ATOM 1113 CZ PHE A 73 -5.056 -17.310 9.049 1.00 0.00 C ATOM 0 H PHE A 73 -7.933 -17.098 14.511 1.00 0.00 H new ATOM 0 HA PHE A 73 -5.022 -17.231 13.670 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -7.527 -15.766 12.860 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.094 -14.764 12.978 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.835 -18.365 12.189 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.969 -14.397 10.551 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.039 -19.237 10.009 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.176 -15.269 8.372 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.710 -17.690 8.099 1.00 0.00 H new ATOM 1123 N SER A 74 -4.265 -15.462 15.285 1.00 0.00 N ATOM 1124 CA SER A 74 -3.823 -14.634 16.445 1.00 0.00 C ATOM 1125 C SER A 74 -2.630 -13.757 16.053 1.00 0.00 C ATOM 1126 O SER A 74 -1.731 -14.188 15.361 1.00 0.00 O ATOM 1127 CB SER A 74 -3.414 -15.643 17.517 1.00 0.00 C ATOM 1128 OG SER A 74 -3.187 -14.961 18.743 1.00 0.00 O ATOM 0 H SER A 74 -3.531 -15.702 14.618 1.00 0.00 H new ATOM 0 HA SER A 74 -4.608 -13.962 16.792 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.195 -16.393 17.644 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.512 -16.172 17.209 1.00 0.00 H new ATOM 0 HG SER A 74 -2.926 -15.606 19.433 1.00 0.00 H new ATOM 1134 N LEU A 75 -2.616 -12.526 16.492 1.00 0.00 N ATOM 1135 CA LEU A 75 -1.481 -11.621 16.147 1.00 0.00 C ATOM 1136 C LEU A 75 -0.453 -11.609 17.281 1.00 0.00 C ATOM 1137 O LEU A 75 0.706 -11.305 17.080 1.00 0.00 O ATOM 1138 CB LEU A 75 -2.111 -10.237 15.979 1.00 0.00 C ATOM 1139 CG LEU A 75 -1.028 -9.224 15.599 1.00 0.00 C ATOM 1140 CD1 LEU A 75 -0.604 -9.446 14.145 1.00 0.00 C ATOM 1141 CD2 LEU A 75 -1.579 -7.802 15.754 1.00 0.00 C ATOM 0 H LEU A 75 -3.342 -12.108 17.075 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.958 -11.941 15.246 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.881 -10.268 15.208 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.599 -9.933 16.905 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.167 -9.356 16.254 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.167 -8.724 13.877 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.211 -10.456 14.031 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.466 -9.316 13.491 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.807 -7.081 15.483 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.442 -7.673 15.100 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.880 -7.639 16.789 1.00 0.00 H new ATOM 1384 N VAL A 91 -7.099 -11.746 13.655 1.00 0.00 N ATOM 1385 CA VAL A 91 -6.704 -11.145 12.349 1.00 0.00 C ATOM 1386 C VAL A 91 -7.765 -10.135 11.905 1.00 0.00 C ATOM 1387 O VAL A 91 -7.460 -9.007 11.576 1.00 0.00 O ATOM 1388 CB VAL A 91 -6.610 -12.315 11.369 1.00 0.00 C ATOM 1389 CG1 VAL A 91 -7.910 -13.121 11.398 1.00 0.00 C ATOM 1390 CG2 VAL A 91 -6.376 -11.776 9.960 1.00 0.00 C ATOM 0 HA VAL A 91 -5.757 -10.608 12.407 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.781 -12.962 11.657 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.838 -13.953 10.698 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.077 -13.506 12.404 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.743 -12.478 11.113 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.308 -12.608 9.259 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.205 -11.128 9.676 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.447 -11.207 9.938 1.00 0.00 H new ATOM 1400 N LEU A 92 -9.014 -10.519 11.914 1.00 0.00 N ATOM 1401 CA LEU A 92 -10.080 -9.556 11.517 1.00 0.00 C ATOM 1402 C LEU A 92 -10.087 -8.402 12.520 1.00 0.00 C ATOM 1403 O LEU A 92 -10.106 -7.243 12.156 1.00 0.00 O ATOM 1404 CB LEU A 92 -11.387 -10.347 11.583 1.00 0.00 C ATOM 1405 CG LEU A 92 -11.419 -11.382 10.456 1.00 0.00 C ATOM 1406 CD1 LEU A 92 -12.841 -11.921 10.299 1.00 0.00 C ATOM 1407 CD2 LEU A 92 -10.977 -10.726 9.145 1.00 0.00 C ATOM 0 H LEU A 92 -9.339 -11.449 12.177 1.00 0.00 H new ATOM 0 HA LEU A 92 -9.932 -9.135 10.523 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -11.475 -10.844 12.549 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -12.238 -9.671 11.494 1.00 0.00 H new ATOM 0 HG LEU A 92 -10.743 -12.202 10.699 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.864 -12.658 9.496 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.158 -12.389 11.231 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -13.517 -11.100 10.057 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.000 -11.464 8.343 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.653 -9.906 8.903 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -9.963 -10.341 9.255 1.00 0.00 H new ATOM 1419 N LYS A 93 -10.034 -8.723 13.784 1.00 0.00 N ATOM 1420 CA LYS A 93 -9.998 -7.663 14.829 1.00 0.00 C ATOM 1421 C LYS A 93 -8.753 -6.802 14.611 1.00 0.00 C ATOM 1422 O LYS A 93 -8.726 -5.628 14.923 1.00 0.00 O ATOM 1423 CB LYS A 93 -9.913 -8.413 16.159 1.00 0.00 C ATOM 1424 CG LYS A 93 -9.650 -7.420 17.292 1.00 0.00 C ATOM 1425 CD LYS A 93 -10.096 -8.031 18.622 1.00 0.00 C ATOM 1426 CE LYS A 93 -8.867 -8.344 19.478 1.00 0.00 C ATOM 1427 NZ LYS A 93 -8.361 -9.647 18.962 1.00 0.00 N ATOM 0 H LYS A 93 -10.014 -9.679 14.139 1.00 0.00 H new ATOM 0 HA LYS A 93 -10.867 -7.006 14.803 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -10.842 -8.953 16.343 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -9.115 -9.155 16.119 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -8.590 -7.170 17.332 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.189 -6.491 17.108 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -10.753 -7.340 19.150 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -10.669 -8.941 18.442 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.112 -7.563 19.386 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.128 -8.412 20.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.548 -9.954 19.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -9.115 -10.361 19.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.066 -9.537 17.971 1.00 0.00 H new ATOM 1441 N LEU A 94 -7.721 -7.395 14.077 1.00 0.00 N ATOM 1442 CA LEU A 94 -6.458 -6.646 13.826 1.00 0.00 C ATOM 1443 C LEU A 94 -6.730 -5.447 12.915 1.00 0.00 C ATOM 1444 O LEU A 94 -6.114 -4.408 13.046 1.00 0.00 O ATOM 1445 CB LEU A 94 -5.542 -7.650 13.127 1.00 0.00 C ATOM 1446 CG LEU A 94 -4.269 -7.841 13.949 1.00 0.00 C ATOM 1447 CD1 LEU A 94 -4.581 -8.695 15.180 1.00 0.00 C ATOM 1448 CD2 LEU A 94 -3.217 -8.548 13.092 1.00 0.00 C ATOM 0 H LEU A 94 -7.699 -8.377 13.801 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.016 -6.256 14.743 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.056 -8.604 13.007 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.292 -7.295 12.127 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.890 -6.870 14.268 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.673 -8.832 15.767 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.335 -8.195 15.788 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.958 -9.667 14.862 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.306 -8.687 13.675 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.598 -9.520 12.777 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.997 -7.942 12.213 1.00 0.00 H new ATOM 1460 N VAL A 95 -7.646 -5.576 11.994 1.00 0.00 N ATOM 1461 CA VAL A 95 -7.940 -4.431 11.090 1.00 0.00 C ATOM 1462 C VAL A 95 -8.259 -3.199 11.937 1.00 0.00 C ATOM 1463 O VAL A 95 -7.798 -2.108 11.662 1.00 0.00 O ATOM 1464 CB VAL A 95 -9.165 -4.862 10.284 1.00 0.00 C ATOM 1465 CG1 VAL A 95 -9.749 -3.650 9.555 1.00 0.00 C ATOM 1466 CG2 VAL A 95 -8.753 -5.922 9.260 1.00 0.00 C ATOM 0 H VAL A 95 -8.199 -6.418 11.830 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.104 -4.178 10.438 1.00 0.00 H new ATOM 0 HB VAL A 95 -9.915 -5.277 10.957 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -10.623 -3.957 8.980 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -10.042 -2.894 10.283 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.999 -3.235 8.882 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -9.626 -6.230 8.684 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.003 -5.506 8.587 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.336 -6.786 9.778 1.00 0.00 H new ATOM 1476 N HIS A 96 -9.019 -3.368 12.984 1.00 0.00 N ATOM 1477 CA HIS A 96 -9.334 -2.208 13.863 1.00 0.00 C ATOM 1478 C HIS A 96 -8.055 -1.776 14.584 1.00 0.00 C ATOM 1479 O HIS A 96 -7.853 -0.614 14.876 1.00 0.00 O ATOM 1480 CB HIS A 96 -10.371 -2.729 14.859 1.00 0.00 C ATOM 1481 CG HIS A 96 -11.711 -2.118 14.552 1.00 0.00 C ATOM 1482 ND1 HIS A 96 -12.761 -2.145 15.457 1.00 0.00 N ATOM 1483 CD2 HIS A 96 -12.188 -1.460 13.445 1.00 0.00 C ATOM 1484 CE1 HIS A 96 -13.807 -1.521 14.884 1.00 0.00 C ATOM 1485 NE2 HIS A 96 -13.511 -1.085 13.656 1.00 0.00 N ATOM 0 H HIS A 96 -9.434 -4.256 13.268 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.714 -1.346 13.315 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -10.433 -3.816 14.801 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.070 -2.481 15.877 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -11.622 -1.263 12.547 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -14.768 -1.389 15.359 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -14.123 -0.585 13.012 1.00 0.00 H new ATOM 1493 N HIS A 97 -7.186 -2.713 14.856 1.00 0.00 N ATOM 1494 CA HIS A 97 -5.905 -2.380 15.543 1.00 0.00 C ATOM 1495 C HIS A 97 -4.928 -1.771 14.535 1.00 0.00 C ATOM 1496 O HIS A 97 -4.257 -0.797 14.813 1.00 0.00 O ATOM 1497 CB HIS A 97 -5.373 -3.721 16.055 1.00 0.00 C ATOM 1498 CG HIS A 97 -5.048 -3.614 17.519 1.00 0.00 C ATOM 1499 ND1 HIS A 97 -6.014 -3.336 18.473 1.00 0.00 N ATOM 1500 CD2 HIS A 97 -3.868 -3.755 18.210 1.00 0.00 C ATOM 1501 CE1 HIS A 97 -5.406 -3.320 19.674 1.00 0.00 C ATOM 1502 NE2 HIS A 97 -4.098 -3.569 19.570 1.00 0.00 N ATOM 0 H HIS A 97 -7.310 -3.700 14.630 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.036 -1.659 16.350 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -6.115 -4.503 15.894 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -4.483 -4.007 15.495 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -7.005 -3.173 18.297 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -2.909 -3.976 17.765 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.914 -3.129 20.608 1.00 0.00 H new ATOM 1510 N TYR A 98 -4.848 -2.342 13.364 1.00 0.00 N ATOM 1511 CA TYR A 98 -3.920 -1.806 12.329 1.00 0.00 C ATOM 1512 C TYR A 98 -4.347 -0.394 11.922 1.00 0.00 C ATOM 1513 O TYR A 98 -3.562 0.382 11.414 1.00 0.00 O ATOM 1514 CB TYR A 98 -4.056 -2.764 11.144 1.00 0.00 C ATOM 1515 CG TYR A 98 -3.162 -3.963 11.346 1.00 0.00 C ATOM 1516 CD1 TYR A 98 -1.872 -3.798 11.865 1.00 0.00 C ATOM 1517 CD2 TYR A 98 -3.622 -5.243 11.009 1.00 0.00 C ATOM 1518 CE1 TYR A 98 -1.044 -4.912 12.048 1.00 0.00 C ATOM 1519 CE2 TYR A 98 -2.793 -6.357 11.191 1.00 0.00 C ATOM 1520 CZ TYR A 98 -1.503 -6.191 11.712 1.00 0.00 C ATOM 1521 OH TYR A 98 -0.686 -7.288 11.892 1.00 0.00 O ATOM 0 H TYR A 98 -5.387 -3.159 13.079 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.893 -1.740 12.688 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -5.093 -3.086 11.043 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.789 -2.252 10.219 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.516 -2.812 12.124 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -4.617 -5.371 10.609 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.049 -4.784 12.449 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -3.148 -7.343 10.930 1.00 0.00 H new ATOM 0 HH TYR A 98 0.129 -7.180 11.358 1.00 0.00 H new ATOM 1531 N MET A 99 -5.588 -0.058 12.138 1.00 0.00 N ATOM 1532 CA MET A 99 -6.070 1.302 11.761 1.00 0.00 C ATOM 1533 C MET A 99 -6.801 1.951 12.940 1.00 0.00 C ATOM 1534 O MET A 99 -6.906 1.369 14.002 1.00 0.00 O ATOM 1535 CB MET A 99 -7.031 1.071 10.595 1.00 0.00 C ATOM 1536 CG MET A 99 -6.448 1.691 9.324 1.00 0.00 C ATOM 1537 SD MET A 99 -5.478 0.447 8.437 1.00 0.00 S ATOM 1538 CE MET A 99 -6.842 -0.685 8.070 1.00 0.00 C ATOM 0 H MET A 99 -6.290 -0.666 12.559 1.00 0.00 H new ATOM 0 HA MET A 99 -5.252 1.970 11.490 1.00 0.00 H new ATOM 0 HB2 MET A 99 -7.194 0.003 10.450 1.00 0.00 H new ATOM 0 HB3 MET A 99 -8.002 1.514 10.817 1.00 0.00 H new ATOM 0 HG2 MET A 99 -7.250 2.064 8.687 1.00 0.00 H new ATOM 0 HG3 MET A 99 -5.820 2.545 9.578 1.00 0.00 H new ATOM 0 HE1 MET A 99 -6.727 -1.077 7.060 1.00 0.00 H new ATOM 0 HE2 MET A 99 -6.832 -1.510 8.783 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.789 -0.151 8.146 1.00 0.00 H new ATOM 2022 N ARG A 134 -7.888 0.909 22.302 1.00 0.00 N ATOM 2023 CA ARG A 134 -7.165 0.308 21.145 1.00 0.00 C ATOM 2024 C ARG A 134 -5.896 1.109 20.840 1.00 0.00 C ATOM 2025 O ARG A 134 -5.857 2.312 21.000 1.00 0.00 O ATOM 2026 CB ARG A 134 -8.148 0.389 19.976 1.00 0.00 C ATOM 2027 CG ARG A 134 -9.362 -0.495 20.268 1.00 0.00 C ATOM 2028 CD ARG A 134 -9.468 -1.585 19.198 1.00 0.00 C ATOM 2029 NE ARG A 134 -10.848 -1.456 18.654 1.00 0.00 N ATOM 2030 CZ ARG A 134 -11.875 -1.779 19.392 1.00 0.00 C ATOM 2031 NH1 ARG A 134 -11.695 -2.220 20.608 1.00 0.00 N ATOM 2032 NH2 ARG A 134 -13.084 -1.663 18.915 1.00 0.00 N ATOM 0 HA ARG A 134 -6.852 -0.717 21.341 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -8.464 1.421 19.824 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -7.662 0.066 19.055 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -9.267 -0.947 21.255 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -10.270 0.108 20.280 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -8.721 -1.445 18.417 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -9.302 -2.574 19.624 1.00 0.00 H new ATOM 0 HE ARG A 134 -10.991 -1.115 17.703 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -10.751 -2.312 20.982 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -12.499 -2.472 21.183 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -13.227 -1.320 17.965 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -13.886 -1.916 19.492 1.00 0.00 H new ATOM 2046 N ALA A 135 -4.859 0.450 20.401 1.00 0.00 N ATOM 2047 CA ALA A 135 -3.593 1.173 20.088 1.00 0.00 C ATOM 2048 C ALA A 135 -2.590 0.220 19.438 1.00 0.00 C ATOM 2049 O ALA A 135 -2.610 -0.970 19.673 1.00 0.00 O ATOM 2050 CB ALA A 135 -3.063 1.652 21.443 1.00 0.00 C ATOM 0 H ALA A 135 -4.833 -0.558 20.245 1.00 0.00 H new ATOM 0 HA ALA A 135 -3.752 1.998 19.394 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -2.129 2.195 21.297 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -3.797 2.310 21.909 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -2.885 0.792 22.089 1.00 0.00 H new ATOM 2056 N TYR A 136 -1.700 0.732 18.635 1.00 0.00 N ATOM 2057 CA TYR A 136 -0.688 -0.157 17.999 1.00 0.00 C ATOM 2058 C TYR A 136 0.704 0.448 18.183 1.00 0.00 C ATOM 2059 O TYR A 136 0.958 1.561 17.778 1.00 0.00 O ATOM 2060 CB TYR A 136 -1.066 -0.178 16.513 1.00 0.00 C ATOM 2061 CG TYR A 136 -0.863 -1.564 15.948 1.00 0.00 C ATOM 2062 CD1 TYR A 136 -1.766 -2.583 16.263 1.00 0.00 C ATOM 2063 CD2 TYR A 136 0.227 -1.829 15.107 1.00 0.00 C ATOM 2064 CE1 TYR A 136 -1.583 -3.868 15.742 1.00 0.00 C ATOM 2065 CE2 TYR A 136 0.411 -3.116 14.583 1.00 0.00 C ATOM 2066 CZ TYR A 136 -0.495 -4.136 14.902 1.00 0.00 C ATOM 2067 OH TYR A 136 -0.315 -5.405 14.393 1.00 0.00 O ATOM 0 H TYR A 136 -1.629 1.720 18.393 1.00 0.00 H new ATOM 0 HA TYR A 136 -0.672 -1.158 18.430 1.00 0.00 H new ATOM 0 HB2 TYR A 136 -2.106 0.125 16.389 1.00 0.00 H new ATOM 0 HB3 TYR A 136 -0.457 0.540 15.964 1.00 0.00 H new ATOM 0 HD1 TYR A 136 -2.606 -2.378 16.910 1.00 0.00 H new ATOM 0 HD2 TYR A 136 0.925 -1.042 14.863 1.00 0.00 H new ATOM 0 HE1 TYR A 136 -2.281 -4.654 15.988 1.00 0.00 H new ATOM 0 HE2 TYR A 136 1.250 -3.321 13.934 1.00 0.00 H new ATOM 0 HH TYR A 136 -0.938 -5.551 13.651 1.00 0.00 H new ATOM 2077 N TYR A 137 1.618 -0.266 18.777 1.00 0.00 N ATOM 2078 CA TYR A 137 2.977 0.312 18.956 1.00 0.00 C ATOM 2079 C TYR A 137 4.038 -0.775 19.082 1.00 0.00 C ATOM 2080 O TYR A 137 3.740 -1.944 19.220 1.00 0.00 O ATOM 2081 CB TYR A 137 2.895 1.194 20.200 1.00 0.00 C ATOM 2082 CG TYR A 137 2.925 0.392 21.475 1.00 0.00 C ATOM 2083 CD1 TYR A 137 4.133 -0.093 21.997 1.00 0.00 C ATOM 2084 CD2 TYR A 137 1.729 0.169 22.156 1.00 0.00 C ATOM 2085 CE1 TYR A 137 4.133 -0.807 23.199 1.00 0.00 C ATOM 2086 CE2 TYR A 137 1.726 -0.540 23.358 1.00 0.00 C ATOM 2087 CZ TYR A 137 2.928 -1.030 23.882 1.00 0.00 C ATOM 2088 OH TYR A 137 2.927 -1.728 25.073 1.00 0.00 O ATOM 0 H TYR A 137 1.486 -1.210 19.141 1.00 0.00 H new ATOM 0 HA TYR A 137 3.280 0.898 18.088 1.00 0.00 H new ATOM 0 HB2 TYR A 137 3.726 1.899 20.198 1.00 0.00 H new ATOM 0 HB3 TYR A 137 1.978 1.782 20.165 1.00 0.00 H new ATOM 0 HD1 TYR A 137 5.060 0.084 21.472 1.00 0.00 H new ATOM 0 HD2 TYR A 137 0.801 0.546 21.752 1.00 0.00 H new ATOM 0 HE1 TYR A 137 5.060 -1.187 23.602 1.00 0.00 H new ATOM 0 HE2 TYR A 137 0.798 -0.710 23.883 1.00 0.00 H new ATOM 0 HH TYR A 137 3.242 -2.643 24.916 1.00 0.00 H new ATOM 2098 N ILE A 138 5.281 -0.392 19.001 1.00 0.00 N ATOM 2099 CA ILE A 138 6.376 -1.398 19.079 1.00 0.00 C ATOM 2100 C ILE A 138 7.020 -1.390 20.463 1.00 0.00 C ATOM 2101 O ILE A 138 7.167 -0.361 21.091 1.00 0.00 O ATOM 2102 CB ILE A 138 7.386 -0.961 18.019 1.00 0.00 C ATOM 2103 CG1 ILE A 138 6.768 -1.125 16.629 1.00 0.00 C ATOM 2104 CG2 ILE A 138 8.642 -1.829 18.122 1.00 0.00 C ATOM 2105 CD1 ILE A 138 6.117 0.192 16.201 1.00 0.00 C ATOM 0 H ILE A 138 5.586 0.574 18.884 1.00 0.00 H new ATOM 0 HA ILE A 138 6.012 -2.411 18.911 1.00 0.00 H new ATOM 0 HB ILE A 138 7.652 0.084 18.179 1.00 0.00 H new ATOM 0 HG12 ILE A 138 7.535 -1.414 15.910 1.00 0.00 H new ATOM 0 HG13 ILE A 138 6.025 -1.923 16.641 1.00 0.00 H new ATOM 0 HG21 ILE A 138 9.363 -1.517 17.366 1.00 0.00 H new ATOM 0 HG22 ILE A 138 9.083 -1.715 19.112 1.00 0.00 H new ATOM 0 HG23 ILE A 138 8.376 -2.874 17.961 1.00 0.00 H new ATOM 0 HD11 ILE A 138 5.677 0.075 15.211 1.00 0.00 H new ATOM 0 HD12 ILE A 138 5.339 0.462 16.915 1.00 0.00 H new ATOM 0 HD13 ILE A 138 6.871 0.978 16.172 1.00 0.00 H new ATOM 2117 N TYR A 139 7.394 -2.540 20.939 1.00 0.00 N ATOM 2118 CA TYR A 139 8.022 -2.625 22.286 1.00 0.00 C ATOM 2119 C TYR A 139 9.543 -2.563 22.183 1.00 0.00 C ATOM 2120 O TYR A 139 10.157 -3.240 21.383 1.00 0.00 O ATOM 2121 CB TYR A 139 7.573 -3.969 22.839 1.00 0.00 C ATOM 2122 CG TYR A 139 6.097 -3.897 23.116 1.00 0.00 C ATOM 2123 CD1 TYR A 139 5.197 -3.761 22.055 1.00 0.00 C ATOM 2124 CD2 TYR A 139 5.634 -3.956 24.429 1.00 0.00 C ATOM 2125 CE1 TYR A 139 3.825 -3.687 22.308 1.00 0.00 C ATOM 2126 CE2 TYR A 139 4.259 -3.884 24.688 1.00 0.00 C ATOM 2127 CZ TYR A 139 3.354 -3.751 23.625 1.00 0.00 C ATOM 2128 OH TYR A 139 1.999 -3.678 23.877 1.00 0.00 O ATOM 0 H TYR A 139 7.292 -3.431 20.452 1.00 0.00 H new ATOM 0 HA TYR A 139 7.727 -1.796 22.929 1.00 0.00 H new ATOM 0 HB2 TYR A 139 7.787 -4.764 22.125 1.00 0.00 H new ATOM 0 HB3 TYR A 139 8.119 -4.206 23.752 1.00 0.00 H new ATOM 0 HD1 TYR A 139 5.562 -3.713 21.040 1.00 0.00 H new ATOM 0 HD2 TYR A 139 6.334 -4.057 25.245 1.00 0.00 H new ATOM 0 HE1 TYR A 139 3.129 -3.581 21.489 1.00 0.00 H new ATOM 0 HE2 TYR A 139 3.897 -3.931 25.704 1.00 0.00 H new ATOM 0 HH TYR A 139 1.770 -2.773 24.174 1.00 0.00 H new ATOM 2138 N SER A 140 10.147 -1.750 22.996 1.00 0.00 N ATOM 2139 CA SER A 140 11.634 -1.627 22.966 1.00 0.00 C ATOM 2140 C SER A 140 12.250 -2.415 24.124 1.00 0.00 C ATOM 2141 O SER A 140 11.610 -3.252 24.727 1.00 0.00 O ATOM 2142 CB SER A 140 11.911 -0.133 23.124 1.00 0.00 C ATOM 2143 OG SER A 140 13.285 0.061 23.434 1.00 0.00 O ATOM 0 H SER A 140 9.678 -1.161 23.684 1.00 0.00 H new ATOM 0 HA SER A 140 12.065 -2.024 22.047 1.00 0.00 H new ATOM 0 HB2 SER A 140 11.656 0.395 22.205 1.00 0.00 H new ATOM 0 HB3 SER A 140 11.286 0.283 23.914 1.00 0.00 H new ATOM 0 HG SER A 140 13.466 1.019 23.534 1.00 0.00 H new ATOM 2149 N GLY A 141 13.489 -2.153 24.440 1.00 0.00 N ATOM 2150 CA GLY A 141 14.142 -2.889 25.561 1.00 0.00 C ATOM 2151 C GLY A 141 13.307 -2.724 26.831 1.00 0.00 C ATOM 2152 O GLY A 141 13.552 -1.849 27.638 1.00 0.00 O ATOM 0 H GLY A 141 14.077 -1.463 23.972 1.00 0.00 H new ATOM 0 HA2 GLY A 141 14.238 -3.945 25.310 1.00 0.00 H new ATOM 0 HA3 GLY A 141 15.150 -2.507 25.723 1.00 0.00 H new ATOM 2156 N GLY A 142 12.319 -3.556 27.015 1.00 0.00 N ATOM 2157 CA GLY A 142 11.467 -3.443 28.232 1.00 0.00 C ATOM 2158 C GLY A 142 10.729 -2.104 28.214 1.00 0.00 C ATOM 2159 O GLY A 142 10.151 -1.689 29.199 1.00 0.00 O ATOM 0 H GLY A 142 12.065 -4.309 26.375 1.00 0.00 H new ATOM 0 HA2 GLY A 142 10.751 -4.265 28.266 1.00 0.00 H new ATOM 0 HA3 GLY A 142 12.082 -3.519 29.128 1.00 0.00 H new ATOM 2163 N GLU A 143 10.742 -1.423 27.099 1.00 0.00 N ATOM 2164 CA GLU A 143 10.040 -0.110 27.019 1.00 0.00 C ATOM 2165 C GLU A 143 8.959 -0.154 25.937 1.00 0.00 C ATOM 2166 O GLU A 143 9.230 -0.417 24.783 1.00 0.00 O ATOM 2167 CB GLU A 143 11.128 0.899 26.650 1.00 0.00 C ATOM 2168 CG GLU A 143 12.190 0.932 27.752 1.00 0.00 C ATOM 2169 CD GLU A 143 12.008 2.193 28.599 1.00 0.00 C ATOM 2170 OE1 GLU A 143 12.122 3.275 28.046 1.00 0.00 O ATOM 2171 OE2 GLU A 143 11.758 2.055 29.784 1.00 0.00 O ATOM 0 H GLU A 143 11.208 -1.719 26.241 1.00 0.00 H new ATOM 0 HA GLU A 143 9.543 0.151 27.953 1.00 0.00 H new ATOM 0 HB2 GLU A 143 11.584 0.626 25.699 1.00 0.00 H new ATOM 0 HB3 GLU A 143 10.692 1.889 26.521 1.00 0.00 H new ATOM 0 HG2 GLU A 143 12.106 0.045 28.379 1.00 0.00 H new ATOM 0 HG3 GLU A 143 13.187 0.918 27.311 1.00 0.00 H new ATOM 2178 N LYS A 144 7.732 0.101 26.302 1.00 0.00 N ATOM 2179 CA LYS A 144 6.632 0.076 25.295 1.00 0.00 C ATOM 2180 C LYS A 144 6.494 1.439 24.621 1.00 0.00 C ATOM 2181 O LYS A 144 5.971 2.378 25.187 1.00 0.00 O ATOM 2182 CB LYS A 144 5.375 -0.257 26.099 1.00 0.00 C ATOM 2183 CG LYS A 144 5.065 0.889 27.065 1.00 0.00 C ATOM 2184 CD LYS A 144 4.246 0.358 28.243 1.00 0.00 C ATOM 2185 CE LYS A 144 2.807 0.869 28.135 1.00 0.00 C ATOM 2186 NZ LYS A 144 2.782 2.117 28.948 1.00 0.00 N ATOM 0 H LYS A 144 7.443 0.326 27.254 1.00 0.00 H new ATOM 0 HA LYS A 144 6.815 -0.647 24.501 1.00 0.00 H new ATOM 0 HB2 LYS A 144 4.532 -0.417 25.426 1.00 0.00 H new ATOM 0 HB3 LYS A 144 5.521 -1.184 26.653 1.00 0.00 H new ATOM 0 HG2 LYS A 144 5.992 1.336 27.425 1.00 0.00 H new ATOM 0 HG3 LYS A 144 4.512 1.674 26.549 1.00 0.00 H new ATOM 0 HD2 LYS A 144 4.257 -0.732 28.246 1.00 0.00 H new ATOM 0 HD3 LYS A 144 4.689 0.683 29.184 1.00 0.00 H new ATOM 0 HE2 LYS A 144 2.535 1.067 27.098 1.00 0.00 H new ATOM 0 HE3 LYS A 144 2.097 0.135 28.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 1.827 2.528 28.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 3.039 1.896 29.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 3.463 2.799 28.557 1.00 0.00 H new ATOM 2200 N ILE A 145 6.940 1.541 23.402 1.00 0.00 N ATOM 2201 CA ILE A 145 6.819 2.826 22.662 1.00 0.00 C ATOM 2202 C ILE A 145 5.480 2.828 21.926 1.00 0.00 C ATOM 2203 O ILE A 145 5.294 2.078 20.993 1.00 0.00 O ATOM 2204 CB ILE A 145 7.993 2.814 21.683 1.00 0.00 C ATOM 2205 CG1 ILE A 145 9.229 3.404 22.365 1.00 0.00 C ATOM 2206 CG2 ILE A 145 7.645 3.643 20.452 1.00 0.00 C ATOM 2207 CD1 ILE A 145 9.968 2.295 23.115 1.00 0.00 C ATOM 0 H ILE A 145 7.386 0.785 22.883 1.00 0.00 H new ATOM 0 HA ILE A 145 6.846 3.711 23.297 1.00 0.00 H new ATOM 0 HB ILE A 145 8.199 1.788 21.378 1.00 0.00 H new ATOM 0 HG12 ILE A 145 9.886 3.858 21.623 1.00 0.00 H new ATOM 0 HG13 ILE A 145 8.935 4.194 23.057 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.484 3.632 19.757 1.00 0.00 H new ATOM 0 HG22 ILE A 145 6.765 3.221 19.966 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.436 4.670 20.752 1.00 0.00 H new ATOM 0 HD11 ILE A 145 10.850 2.711 23.603 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.308 1.862 23.867 1.00 0.00 H new ATOM 0 HD13 ILE A 145 10.274 1.521 22.411 1.00 0.00 H new ATOM 2219 N PRO A 146 4.573 3.637 22.407 1.00 0.00 N ATOM 2220 CA PRO A 146 3.211 3.694 21.819 1.00 0.00 C ATOM 2221 C PRO A 146 3.153 4.463 20.492 1.00 0.00 C ATOM 2222 O PRO A 146 3.589 5.591 20.383 1.00 0.00 O ATOM 2223 CB PRO A 146 2.397 4.417 22.886 1.00 0.00 C ATOM 2224 CG PRO A 146 3.387 5.238 23.653 1.00 0.00 C ATOM 2225 CD PRO A 146 4.730 4.562 23.533 1.00 0.00 C ATOM 0 HA PRO A 146 2.843 2.698 21.573 1.00 0.00 H new ATOM 0 HB2 PRO A 146 1.630 5.047 22.435 1.00 0.00 H new ATOM 0 HB3 PRO A 146 1.886 3.708 23.537 1.00 0.00 H new ATOM 0 HG2 PRO A 146 3.432 6.252 23.257 1.00 0.00 H new ATOM 0 HG3 PRO A 146 3.090 5.317 24.699 1.00 0.00 H new ATOM 0 HD2 PRO A 146 5.524 5.285 23.345 1.00 0.00 H new ATOM 0 HD3 PRO A 146 4.992 4.032 24.449 1.00 0.00 H new ATOM 2233 N LEU A 147 2.561 3.851 19.500 1.00 0.00 N ATOM 2234 CA LEU A 147 2.382 4.498 18.169 1.00 0.00 C ATOM 2235 C LEU A 147 0.893 4.450 17.827 1.00 0.00 C ATOM 2236 O LEU A 147 0.252 3.438 18.012 1.00 0.00 O ATOM 2237 CB LEU A 147 3.180 3.647 17.174 1.00 0.00 C ATOM 2238 CG LEU A 147 4.682 3.795 17.431 1.00 0.00 C ATOM 2239 CD1 LEU A 147 5.013 5.243 17.799 1.00 0.00 C ATOM 2240 CD2 LEU A 147 5.089 2.872 18.578 1.00 0.00 C ATOM 0 H LEU A 147 2.185 2.905 19.560 1.00 0.00 H new ATOM 0 HA LEU A 147 2.721 5.534 18.149 1.00 0.00 H new ATOM 0 HB2 LEU A 147 2.890 2.600 17.266 1.00 0.00 H new ATOM 0 HB3 LEU A 147 2.947 3.954 16.154 1.00 0.00 H new ATOM 0 HG LEU A 147 5.229 3.526 16.527 1.00 0.00 H new ATOM 0 HD11 LEU A 147 6.084 5.337 17.980 1.00 0.00 H new ATOM 0 HD12 LEU A 147 4.724 5.902 16.980 1.00 0.00 H new ATOM 0 HD13 LEU A 147 4.467 5.523 18.700 1.00 0.00 H new ATOM 0 HD21 LEU A 147 6.158 2.974 18.765 1.00 0.00 H new ATOM 0 HD22 LEU A 147 4.536 3.143 19.477 1.00 0.00 H new ATOM 0 HD23 LEU A 147 4.864 1.839 18.311 1.00 0.00 H new ATOM 2252 N VAL A 148 0.310 5.506 17.351 1.00 0.00 N ATOM 2253 CA VAL A 148 -1.144 5.417 17.043 1.00 0.00 C ATOM 2254 C VAL A 148 -1.374 5.227 15.542 1.00 0.00 C ATOM 2255 O VAL A 148 -1.068 6.090 14.744 1.00 0.00 O ATOM 2256 CB VAL A 148 -1.725 6.752 17.507 1.00 0.00 C ATOM 2257 CG1 VAL A 148 -1.670 6.831 19.033 1.00 0.00 C ATOM 2258 CG2 VAL A 148 -0.907 7.899 16.908 1.00 0.00 C ATOM 0 H VAL A 148 0.757 6.404 17.165 1.00 0.00 H new ATOM 0 HA VAL A 148 -1.613 4.566 17.537 1.00 0.00 H new ATOM 0 HB VAL A 148 -2.761 6.831 17.177 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -2.085 7.783 19.363 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -2.251 6.014 19.461 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -0.635 6.752 19.364 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -1.320 8.852 17.238 1.00 0.00 H new ATOM 0 HG22 VAL A 148 0.129 7.819 17.239 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.946 7.844 15.820 1.00 0.00 H new ATOM 2268 N LEU A 149 -1.940 4.111 15.150 1.00 0.00 N ATOM 2269 CA LEU A 149 -2.213 3.893 13.699 1.00 0.00 C ATOM 2270 C LEU A 149 -3.553 4.542 13.334 1.00 0.00 C ATOM 2271 O LEU A 149 -4.593 4.139 13.815 1.00 0.00 O ATOM 2272 CB LEU A 149 -2.294 2.376 13.524 1.00 0.00 C ATOM 2273 CG LEU A 149 -0.914 1.752 13.741 1.00 0.00 C ATOM 2274 CD1 LEU A 149 -0.993 0.248 13.481 1.00 0.00 C ATOM 2275 CD2 LEU A 149 0.093 2.377 12.775 1.00 0.00 C ATOM 0 H LEU A 149 -2.222 3.349 15.767 1.00 0.00 H new ATOM 0 HA LEU A 149 -1.445 4.329 13.060 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -3.008 1.957 14.233 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -2.659 2.135 12.525 1.00 0.00 H new ATOM 0 HG LEU A 149 -0.593 1.934 14.767 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -0.011 -0.200 13.635 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -1.709 -0.203 14.168 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -1.315 0.073 12.455 1.00 0.00 H new ATOM 0 HD21 LEU A 149 1.074 1.930 12.933 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -0.227 2.197 11.749 1.00 0.00 H new ATOM 0 HD23 LEU A 149 0.151 3.451 12.954 1.00 0.00 H new ATOM 2287 N SER A 150 -3.543 5.548 12.500 1.00 0.00 N ATOM 2288 CA SER A 150 -4.830 6.210 12.136 1.00 0.00 C ATOM 2289 C SER A 150 -4.799 6.739 10.697 1.00 0.00 C ATOM 2290 O SER A 150 -5.471 7.698 10.372 1.00 0.00 O ATOM 2291 CB SER A 150 -4.966 7.366 13.124 1.00 0.00 C ATOM 2292 OG SER A 150 -3.675 7.875 13.434 1.00 0.00 O ATOM 0 H SER A 150 -2.709 5.937 12.059 1.00 0.00 H new ATOM 0 HA SER A 150 -5.668 5.515 12.186 1.00 0.00 H new ATOM 0 HB2 SER A 150 -5.587 8.153 12.697 1.00 0.00 H new ATOM 0 HB3 SER A 150 -5.463 7.026 14.033 1.00 0.00 H new ATOM 0 HG SER A 150 -3.760 8.618 14.067 1.00 0.00 H new ATOM 2298 N ARG A 151 -4.040 6.129 9.827 1.00 0.00 N ATOM 2299 CA ARG A 151 -4.002 6.620 8.419 1.00 0.00 C ATOM 2300 C ARG A 151 -4.117 5.448 7.437 1.00 0.00 C ATOM 2301 O ARG A 151 -3.325 4.529 7.470 1.00 0.00 O ATOM 2302 CB ARG A 151 -2.643 7.303 8.277 1.00 0.00 C ATOM 2303 CG ARG A 151 -2.845 8.798 8.019 1.00 0.00 C ATOM 2304 CD ARG A 151 -1.566 9.555 8.385 1.00 0.00 C ATOM 2305 NE ARG A 151 -2.034 10.867 8.914 1.00 0.00 N ATOM 2306 CZ ARG A 151 -1.167 11.770 9.283 1.00 0.00 C ATOM 2307 NH1 ARG A 151 0.112 11.525 9.190 1.00 0.00 N ATOM 2308 NH2 ARG A 151 -1.579 12.919 9.745 1.00 0.00 N ATOM 0 H ARG A 151 -3.451 5.321 10.027 1.00 0.00 H new ATOM 0 HA ARG A 151 -4.828 7.296 8.199 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -2.054 7.156 9.183 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -2.083 6.854 7.457 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -3.093 8.967 6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -3.682 9.170 8.609 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -0.986 9.012 9.131 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -0.922 9.687 7.515 1.00 0.00 H new ATOM 0 HE ARG A 151 -3.033 11.060 8.988 1.00 0.00 H new ATOM 0 HH11 ARG A 151 0.434 10.627 8.829 1.00 0.00 H new ATOM 0 HH12 ARG A 151 0.789 12.231 9.479 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -2.578 13.111 9.818 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -0.902 13.625 10.034 1.00 0.00 H new ATOM 2322 N PRO A 152 -5.109 5.530 6.589 1.00 0.00 N ATOM 2323 CA PRO A 152 -5.340 4.475 5.576 1.00 0.00 C ATOM 2324 C PRO A 152 -4.384 4.640 4.390 1.00 0.00 C ATOM 2325 O PRO A 152 -4.190 5.728 3.885 1.00 0.00 O ATOM 2326 CB PRO A 152 -6.782 4.712 5.139 1.00 0.00 C ATOM 2327 CG PRO A 152 -7.049 6.160 5.416 1.00 0.00 C ATOM 2328 CD PRO A 152 -6.101 6.606 6.502 1.00 0.00 C ATOM 0 HA PRO A 152 -5.170 3.471 5.964 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -6.915 4.483 4.082 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -7.470 4.073 5.692 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -6.903 6.754 4.514 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -8.083 6.304 5.729 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -5.633 7.558 6.253 1.00 0.00 H new ATOM 0 HD3 PRO A 152 -6.621 6.744 7.450 1.00 0.00 H new ATOM 2336 N LEU A 153 -3.796 3.569 3.931 1.00 0.00 N ATOM 2337 CA LEU A 153 -2.869 3.672 2.767 1.00 0.00 C ATOM 2338 C LEU A 153 -3.639 3.428 1.465 1.00 0.00 C ATOM 2339 O LEU A 153 -4.575 2.654 1.424 1.00 0.00 O ATOM 2340 CB LEU A 153 -1.819 2.581 2.988 1.00 0.00 C ATOM 2341 CG LEU A 153 -0.765 2.652 1.880 1.00 0.00 C ATOM 2342 CD1 LEU A 153 -0.305 4.099 1.698 1.00 0.00 C ATOM 2343 CD2 LEU A 153 0.437 1.788 2.264 1.00 0.00 C ATOM 0 H LEU A 153 -3.916 2.630 4.310 1.00 0.00 H new ATOM 0 HA LEU A 153 -2.410 4.658 2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 153 -1.347 2.708 3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 153 -2.294 1.600 2.990 1.00 0.00 H new ATOM 0 HG LEU A 153 -1.198 2.288 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 153 0.445 4.146 0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 153 -1.158 4.720 1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 153 0.126 4.464 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 153 1.188 1.838 1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 153 0.865 2.155 3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 153 0.116 0.755 2.394 1.00 0.00 H new ATOM 2355 N SER A 154 -3.257 4.081 0.402 1.00 0.00 N ATOM 2356 CA SER A 154 -3.973 3.884 -0.892 1.00 0.00 C ATOM 2357 C SER A 154 -3.852 2.428 -1.351 1.00 0.00 C ATOM 2358 O SER A 154 -2.779 1.955 -1.669 1.00 0.00 O ATOM 2359 CB SER A 154 -3.271 4.817 -1.879 1.00 0.00 C ATOM 2360 OG SER A 154 -3.679 6.155 -1.630 1.00 0.00 O ATOM 0 H SER A 154 -2.481 4.742 0.373 1.00 0.00 H new ATOM 0 HA SER A 154 -5.038 4.102 -0.810 1.00 0.00 H new ATOM 0 HB2 SER A 154 -2.190 4.729 -1.775 1.00 0.00 H new ATOM 0 HB3 SER A 154 -3.517 4.534 -2.903 1.00 0.00 H new ATOM 0 HG SER A 154 -3.230 6.757 -2.260 1.00 0.00 H new ATOM 2510 N SER B 165 8.388 -6.821 16.451 1.00 0.00 N ATOM 2511 CA SER B 165 7.922 -7.066 17.847 1.00 0.00 C ATOM 2512 C SER B 165 6.402 -7.236 17.878 1.00 0.00 C ATOM 2513 O SER B 165 5.817 -7.842 17.002 1.00 0.00 O ATOM 2514 CB SER B 165 8.339 -5.820 18.628 1.00 0.00 C ATOM 2515 OG SER B 165 8.498 -6.156 19.999 1.00 0.00 O ATOM 0 HA SER B 165 8.350 -7.975 18.270 1.00 0.00 H new ATOM 0 HB2 SER B 165 9.272 -5.422 18.229 1.00 0.00 H new ATOM 0 HB3 SER B 165 7.586 -5.039 18.518 1.00 0.00 H new ATOM 0 HG SER B 165 9.057 -5.481 20.438 1.00 0.00 H new ATOM 2521 N THR B 166 5.755 -6.709 18.883 1.00 0.00 N ATOM 2522 CA THR B 166 4.272 -6.845 18.969 1.00 0.00 C ATOM 2523 C THR B 166 3.629 -5.484 19.253 1.00 0.00 C ATOM 2524 O THR B 166 4.288 -4.462 19.259 1.00 0.00 O ATOM 2525 CB THR B 166 4.030 -7.806 20.133 1.00 0.00 C ATOM 2526 OG1 THR B 166 4.686 -7.316 21.293 1.00 0.00 O ATOM 2527 CG2 THR B 166 4.579 -9.189 19.779 1.00 0.00 C ATOM 0 H THR B 166 6.189 -6.191 19.647 1.00 0.00 H new ATOM 0 HA THR B 166 3.837 -7.212 18.039 1.00 0.00 H new ATOM 0 HB THR B 166 2.960 -7.882 20.325 1.00 0.00 H new ATOM 0 HG1 THR B 166 4.530 -7.930 22.041 1.00 0.00 H new ATOM 0 HG21 THR B 166 4.406 -9.873 20.610 1.00 0.00 H new ATOM 0 HG22 THR B 166 4.074 -9.564 18.889 1.00 0.00 H new ATOM 0 HG23 THR B 166 5.649 -9.117 19.586 1.00 0.00 H new ATOM 2535 N VAL B 167 2.346 -5.464 19.492 1.00 0.00 N ATOM 2536 CA VAL B 167 1.655 -4.171 19.777 1.00 0.00 C ATOM 2537 C VAL B 167 0.931 -4.247 21.123 1.00 0.00 C ATOM 2538 O VAL B 167 1.236 -5.075 21.957 1.00 0.00 O ATOM 2539 CB VAL B 167 0.650 -3.976 18.635 1.00 0.00 C ATOM 2540 CG1 VAL B 167 1.150 -2.874 17.697 1.00 0.00 C ATOM 2541 CG2 VAL B 167 0.501 -5.279 17.847 1.00 0.00 C ATOM 0 H VAL B 167 1.744 -6.288 19.503 1.00 0.00 H new ATOM 0 HA VAL B 167 2.357 -3.339 19.836 1.00 0.00 H new ATOM 0 HB VAL B 167 -0.316 -3.693 19.053 1.00 0.00 H new ATOM 0 HG11 VAL B 167 0.436 -2.735 16.885 1.00 0.00 H new ATOM 0 HG12 VAL B 167 1.253 -1.942 18.253 1.00 0.00 H new ATOM 0 HG13 VAL B 167 2.118 -3.159 17.284 1.00 0.00 H new ATOM 0 HG21 VAL B 167 -0.214 -5.135 17.037 1.00 0.00 H new ATOM 0 HG22 VAL B 167 1.467 -5.565 17.431 1.00 0.00 H new ATOM 0 HG23 VAL B 167 0.144 -6.067 18.510 1.00 0.00 H new ATOM 2551 N VAL B 168 -0.022 -3.384 21.341 1.00 0.00 N ATOM 2552 CA VAL B 168 -0.763 -3.401 22.637 1.00 0.00 C ATOM 2553 C VAL B 168 -1.648 -4.649 22.722 1.00 0.00 C ATOM 2554 O VAL B 168 -1.411 -5.637 22.057 1.00 0.00 O ATOM 2555 CB VAL B 168 -1.620 -2.131 22.630 1.00 0.00 C ATOM 2556 CG1 VAL B 168 -0.809 -0.960 22.069 1.00 0.00 C ATOM 2557 CG2 VAL B 168 -2.855 -2.356 21.756 1.00 0.00 C ATOM 0 H VAL B 168 -0.321 -2.668 20.679 1.00 0.00 H new ATOM 0 HA VAL B 168 -0.091 -3.428 23.495 1.00 0.00 H new ATOM 0 HB VAL B 168 -1.928 -1.900 23.650 1.00 0.00 H new ATOM 0 HG11 VAL B 168 -1.424 -0.060 22.067 1.00 0.00 H new ATOM 0 HG12 VAL B 168 0.072 -0.796 22.690 1.00 0.00 H new ATOM 0 HG13 VAL B 168 -0.497 -1.189 21.050 1.00 0.00 H new ATOM 0 HG21 VAL B 168 -3.466 -1.453 21.750 1.00 0.00 H new ATOM 0 HG22 VAL B 168 -2.543 -2.590 20.738 1.00 0.00 H new ATOM 0 HG23 VAL B 168 -3.438 -3.186 22.156 1.00 0.00 H new