USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 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 76 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 80 GLN : amide:sc= -0.917 K(o=-0.92,f=-2.9!) USER MOD Set 2.1: A 5 ASN : amide:sc= -0.146 K(o=-24,f=-25) USER MOD Set 2.2: A 8 LYS NZ :NH3+ -160:sc= -3.82 (180deg=-2.07!) USER MOD Set 2.3: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 2.4: A 69 GLN : amide:sc= -19.7! C(o=-24!,f=-27!) USER MOD Set 3.1: A 28 ASN : amide:sc= -1.86 K(o=-1.8,f=-3.1) USER MOD Set 3.2: A 29 LYS NZ :NH3+ -139:sc= 0.107 (180deg=0) USER MOD Single : A 11 SER OG : rot -124:sc= -0.139! USER MOD Single : A 13 ASN : amide:sc= -8.92! C(o=-8.9!,f=-7.4!) USER MOD Single : A 14 CYS SG : rot -120:sc= -5.02! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.847 USER MOD Single : A 18 HIS : no HD1:sc= -11.7! C(o=-12!,f=-12!) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -2.74 K(o=-2.7,f=-3.9!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= -0.0328 (180deg=-0.0328) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -4.08! K(o=-4.1!,f=-1.9) USER MOD Single : A 41 MET CE :methyl -143:sc= -12! (180deg=-17.8!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -162:sc= -1.48 USER MOD Single : A 49 TYR OH : rot 130:sc= -1.37 USER MOD Single : A 50 GLN : amide:sc= -11.2! C(o=-11!,f=-12!) USER MOD Single : A 52 GLN : amide:sc= -4.91! K(o=-4.9!,f=-2.3) USER MOD Single : A 53 HIS : no HE2:sc= -16.3! C(o=-16!,f=-13!) USER MOD Single : A 55 LYS NZ :NH3+ 157:sc= -0.0183 (180deg=-0.362) USER MOD Single : A 56 ASN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 58 MET CE :methyl -167:sc= -8.12! (180deg=-9.48!) USER MOD Single : A 71 GLN : amide:sc= -0.017 K(o=-0.017,f=-0.95) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 31.842 9.734 -19.784 1.00 0.00 N ATOM 14 CA ASP A 2 30.459 9.224 -19.975 1.00 0.00 C ATOM 15 C ASP A 2 30.483 7.705 -20.140 1.00 0.00 C ATOM 16 O ASP A 2 29.453 7.082 -20.297 1.00 0.00 O ATOM 17 CB ASP A 2 29.838 9.856 -21.217 1.00 0.00 C ATOM 18 CG ASP A 2 30.074 11.368 -21.196 1.00 0.00 C ATOM 19 OD1 ASP A 2 30.671 11.841 -20.243 1.00 0.00 O ATOM 20 OD2 ASP A 2 29.654 12.026 -22.133 1.00 0.00 O ATOM 0 HA ASP A 2 29.864 9.485 -19.100 1.00 0.00 H new ATOM 0 HB2 ASP A 2 30.276 9.422 -22.116 1.00 0.00 H new ATOM 0 HB3 ASP A 2 28.769 9.645 -21.249 1.00 0.00 H new ATOM 25 N LEU A 3 31.640 7.097 -20.099 1.00 0.00 N ATOM 26 CA LEU A 3 31.689 5.617 -20.253 1.00 0.00 C ATOM 27 C LEU A 3 31.158 4.950 -18.981 1.00 0.00 C ATOM 28 O LEU A 3 31.117 3.740 -18.879 1.00 0.00 O ATOM 29 CB LEU A 3 33.122 5.155 -20.542 1.00 0.00 C ATOM 30 CG LEU A 3 33.917 5.102 -19.244 1.00 0.00 C ATOM 31 CD1 LEU A 3 33.660 3.750 -18.593 1.00 0.00 C ATOM 32 CD2 LEU A 3 35.409 5.260 -19.545 1.00 0.00 C ATOM 0 H LEU A 3 32.541 7.556 -19.967 1.00 0.00 H new ATOM 0 HA LEU A 3 31.062 5.326 -21.096 1.00 0.00 H new ATOM 0 HB2 LEU A 3 33.109 4.172 -21.012 1.00 0.00 H new ATOM 0 HB3 LEU A 3 33.600 5.838 -21.244 1.00 0.00 H new ATOM 0 HG LEU A 3 33.612 5.908 -18.576 1.00 0.00 H new ATOM 0 HD11 LEU A 3 34.218 3.684 -17.659 1.00 0.00 H new ATOM 0 HD12 LEU A 3 32.595 3.642 -18.388 1.00 0.00 H new ATOM 0 HD13 LEU A 3 33.983 2.955 -19.266 1.00 0.00 H new ATOM 0 HD21 LEU A 3 35.974 5.222 -18.614 1.00 0.00 H new ATOM 0 HD22 LEU A 3 35.735 4.453 -20.201 1.00 0.00 H new ATOM 0 HD23 LEU A 3 35.582 6.218 -20.035 1.00 0.00 H new ATOM 44 N ALA A 4 30.720 5.716 -18.017 1.00 0.00 N ATOM 45 CA ALA A 4 30.160 5.099 -16.796 1.00 0.00 C ATOM 46 C ALA A 4 28.887 4.392 -17.229 1.00 0.00 C ATOM 47 O ALA A 4 28.501 3.371 -16.695 1.00 0.00 O ATOM 48 CB ALA A 4 29.836 6.176 -15.758 1.00 0.00 C ATOM 0 H ALA A 4 30.729 6.736 -18.029 1.00 0.00 H new ATOM 0 HA ALA A 4 30.868 4.407 -16.339 1.00 0.00 H new ATOM 0 HB1 ALA A 4 29.424 5.708 -14.864 1.00 0.00 H new ATOM 0 HB2 ALA A 4 30.746 6.716 -15.498 1.00 0.00 H new ATOM 0 HB3 ALA A 4 29.106 6.872 -16.172 1.00 0.00 H new ATOM 54 N ASN A 5 28.262 4.926 -18.239 1.00 0.00 N ATOM 55 CA ASN A 5 27.035 4.299 -18.781 1.00 0.00 C ATOM 56 C ASN A 5 27.423 2.919 -19.311 1.00 0.00 C ATOM 57 O ASN A 5 26.627 2.006 -19.369 1.00 0.00 O ATOM 58 CB ASN A 5 26.502 5.179 -19.912 1.00 0.00 C ATOM 59 CG ASN A 5 25.085 5.643 -19.568 1.00 0.00 C ATOM 60 OD1 ASN A 5 24.182 5.525 -20.371 1.00 0.00 O ATOM 61 ND2 ASN A 5 24.851 6.172 -18.397 1.00 0.00 N ATOM 0 H ASN A 5 28.555 5.779 -18.715 1.00 0.00 H new ATOM 0 HA ASN A 5 26.261 4.198 -18.021 1.00 0.00 H new ATOM 0 HB2 ASN A 5 27.154 6.041 -20.056 1.00 0.00 H new ATOM 0 HB3 ASN A 5 26.497 4.623 -20.849 1.00 0.00 H new ATOM 0 HD21 ASN A 5 23.910 6.486 -18.158 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.609 6.272 -17.722 1.00 0.00 H new ATOM 68 N GLY A 6 28.664 2.768 -19.675 1.00 0.00 N ATOM 69 CA GLY A 6 29.159 1.457 -20.180 1.00 0.00 C ATOM 70 C GLY A 6 28.957 0.395 -19.096 1.00 0.00 C ATOM 71 O GLY A 6 28.399 -0.645 -19.340 1.00 0.00 O ATOM 0 H GLY A 6 29.367 3.507 -19.644 1.00 0.00 H new ATOM 0 HA2 GLY A 6 28.623 1.176 -21.086 1.00 0.00 H new ATOM 0 HA3 GLY A 6 30.214 1.530 -20.444 1.00 0.00 H new ATOM 75 N ALA A 7 29.403 0.646 -17.897 1.00 0.00 N ATOM 76 CA ALA A 7 29.223 -0.360 -16.815 1.00 0.00 C ATOM 77 C ALA A 7 27.795 -0.888 -16.851 1.00 0.00 C ATOM 78 O ALA A 7 27.528 -1.998 -16.448 1.00 0.00 O ATOM 79 CB ALA A 7 29.527 0.274 -15.462 1.00 0.00 C ATOM 0 H ALA A 7 29.883 1.502 -17.620 1.00 0.00 H new ATOM 0 HA ALA A 7 29.912 -1.191 -16.967 1.00 0.00 H new ATOM 0 HB1 ALA A 7 29.393 -0.468 -14.674 1.00 0.00 H new ATOM 0 HB2 ALA A 7 30.556 0.633 -15.451 1.00 0.00 H new ATOM 0 HB3 ALA A 7 28.849 1.110 -15.292 1.00 0.00 H new ATOM 85 N LYS A 8 26.880 -0.121 -17.364 1.00 0.00 N ATOM 86 CA LYS A 8 25.489 -0.624 -17.465 1.00 0.00 C ATOM 87 C LYS A 8 25.480 -1.620 -18.623 1.00 0.00 C ATOM 88 O LYS A 8 24.997 -2.730 -18.512 1.00 0.00 O ATOM 89 CB LYS A 8 24.524 0.544 -17.732 1.00 0.00 C ATOM 90 CG LYS A 8 23.325 0.080 -18.581 1.00 0.00 C ATOM 91 CD LYS A 8 23.527 0.492 -20.048 1.00 0.00 C ATOM 92 CE LYS A 8 23.882 1.975 -20.121 1.00 0.00 C ATOM 93 NZ LYS A 8 22.900 2.679 -20.994 1.00 0.00 N ATOM 0 H LYS A 8 27.033 0.824 -17.715 1.00 0.00 H new ATOM 0 HA LYS A 8 25.163 -1.102 -16.541 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.169 0.952 -16.786 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.051 1.347 -18.247 1.00 0.00 H new ATOM 0 HG2 LYS A 8 23.216 -1.002 -18.511 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.405 0.518 -18.195 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.321 -0.105 -20.497 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.619 0.297 -20.619 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.875 2.411 -19.122 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.890 2.099 -20.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.308 3.579 -21.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.676 2.082 -21.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.030 2.868 -20.456 1.00 0.00 H new ATOM 107 N VAL A 9 26.051 -1.224 -19.727 1.00 0.00 N ATOM 108 CA VAL A 9 26.134 -2.124 -20.907 1.00 0.00 C ATOM 109 C VAL A 9 26.812 -3.421 -20.494 1.00 0.00 C ATOM 110 O VAL A 9 26.240 -4.488 -20.545 1.00 0.00 O ATOM 111 CB VAL A 9 26.997 -1.464 -21.983 1.00 0.00 C ATOM 112 CG1 VAL A 9 26.917 -2.278 -23.276 1.00 0.00 C ATOM 113 CG2 VAL A 9 26.487 -0.056 -22.235 1.00 0.00 C ATOM 0 H VAL A 9 26.468 -0.303 -19.861 1.00 0.00 H new ATOM 0 HA VAL A 9 25.131 -2.318 -21.287 1.00 0.00 H new ATOM 0 HB VAL A 9 28.034 -1.424 -21.648 1.00 0.00 H new ATOM 0 HG11 VAL A 9 27.533 -1.806 -24.042 1.00 0.00 H new ATOM 0 HG12 VAL A 9 27.279 -3.290 -23.092 1.00 0.00 H new ATOM 0 HG13 VAL A 9 25.882 -2.319 -23.617 1.00 0.00 H new ATOM 0 HG21 VAL A 9 27.098 0.421 -23.001 1.00 0.00 H new ATOM 0 HG22 VAL A 9 25.451 -0.099 -22.572 1.00 0.00 H new ATOM 0 HG23 VAL A 9 26.545 0.522 -21.313 1.00 0.00 H new ATOM 123 N PHE A 10 28.049 -3.326 -20.110 1.00 0.00 N ATOM 124 CA PHE A 10 28.806 -4.527 -19.712 1.00 0.00 C ATOM 125 C PHE A 10 28.138 -5.233 -18.527 1.00 0.00 C ATOM 126 O PHE A 10 28.206 -6.438 -18.396 1.00 0.00 O ATOM 127 CB PHE A 10 30.228 -4.111 -19.346 1.00 0.00 C ATOM 128 CG PHE A 10 31.013 -5.355 -19.106 1.00 0.00 C ATOM 129 CD1 PHE A 10 30.744 -6.100 -17.970 1.00 0.00 C ATOM 130 CD2 PHE A 10 31.980 -5.785 -20.021 1.00 0.00 C ATOM 131 CE1 PHE A 10 31.431 -7.274 -17.733 1.00 0.00 C ATOM 132 CE2 PHE A 10 32.676 -6.974 -19.784 1.00 0.00 C ATOM 133 CZ PHE A 10 32.400 -7.722 -18.636 1.00 0.00 C ATOM 0 H PHE A 10 28.571 -2.452 -20.056 1.00 0.00 H new ATOM 0 HA PHE A 10 28.826 -5.229 -20.545 1.00 0.00 H new ATOM 0 HB2 PHE A 10 30.675 -3.525 -20.150 1.00 0.00 H new ATOM 0 HB3 PHE A 10 30.226 -3.482 -18.456 1.00 0.00 H new ATOM 0 HD1 PHE A 10 29.996 -5.762 -17.268 1.00 0.00 H new ATOM 0 HD2 PHE A 10 32.188 -5.201 -20.906 1.00 0.00 H new ATOM 0 HE1 PHE A 10 31.219 -7.850 -16.844 1.00 0.00 H new ATOM 0 HE2 PHE A 10 33.424 -7.313 -20.485 1.00 0.00 H new ATOM 0 HZ PHE A 10 32.933 -8.642 -18.447 1.00 0.00 H new ATOM 143 N SER A 11 27.500 -4.507 -17.664 1.00 0.00 N ATOM 144 CA SER A 11 26.838 -5.158 -16.495 1.00 0.00 C ATOM 145 C SER A 11 25.412 -5.565 -16.872 1.00 0.00 C ATOM 146 O SER A 11 24.578 -5.797 -16.020 1.00 0.00 O ATOM 147 CB SER A 11 26.792 -4.183 -15.316 1.00 0.00 C ATOM 148 OG SER A 11 25.772 -3.222 -15.537 1.00 0.00 O ATOM 0 H SER A 11 27.404 -3.493 -17.711 1.00 0.00 H new ATOM 0 HA SER A 11 27.407 -6.043 -16.211 1.00 0.00 H new ATOM 0 HB2 SER A 11 26.602 -4.725 -14.389 1.00 0.00 H new ATOM 0 HB3 SER A 11 27.756 -3.687 -15.203 1.00 0.00 H new ATOM 0 HG SER A 11 26.155 -2.321 -15.489 1.00 0.00 H new ATOM 154 N GLY A 12 25.123 -5.653 -18.142 1.00 0.00 N ATOM 155 CA GLY A 12 23.753 -6.043 -18.561 1.00 0.00 C ATOM 156 C GLY A 12 23.747 -6.664 -19.970 1.00 0.00 C ATOM 157 O GLY A 12 22.699 -6.980 -20.498 1.00 0.00 O ATOM 0 H GLY A 12 25.777 -5.472 -18.904 1.00 0.00 H new ATOM 0 HA2 GLY A 12 23.343 -6.756 -17.846 1.00 0.00 H new ATOM 0 HA3 GLY A 12 23.104 -5.167 -18.546 1.00 0.00 H new ATOM 161 N ASN A 13 24.886 -6.847 -20.587 1.00 0.00 N ATOM 162 CA ASN A 13 24.899 -7.450 -21.953 1.00 0.00 C ATOM 163 C ASN A 13 26.252 -8.117 -22.201 1.00 0.00 C ATOM 164 O ASN A 13 26.332 -9.255 -22.618 1.00 0.00 O ATOM 165 CB ASN A 13 24.684 -6.357 -23.000 1.00 0.00 C ATOM 166 CG ASN A 13 23.766 -5.276 -22.430 1.00 0.00 C ATOM 167 OD1 ASN A 13 22.580 -5.487 -22.273 1.00 0.00 O ATOM 168 ND2 ASN A 13 24.271 -4.119 -22.117 1.00 0.00 N ATOM 0 H ASN A 13 25.802 -6.607 -20.207 1.00 0.00 H new ATOM 0 HA ASN A 13 24.102 -8.190 -22.026 1.00 0.00 H new ATOM 0 HB2 ASN A 13 25.641 -5.921 -23.288 1.00 0.00 H new ATOM 0 HB3 ASN A 13 24.244 -6.784 -23.901 1.00 0.00 H new ATOM 0 HD21 ASN A 13 23.671 -3.386 -21.739 1.00 0.00 H new ATOM 0 HD22 ASN A 13 25.267 -3.945 -22.250 1.00 0.00 H new ATOM 175 N CYS A 14 27.316 -7.410 -21.949 1.00 0.00 N ATOM 176 CA CYS A 14 28.672 -7.985 -22.169 1.00 0.00 C ATOM 177 C CYS A 14 28.945 -9.034 -21.088 1.00 0.00 C ATOM 178 O CYS A 14 29.574 -10.045 -21.329 1.00 0.00 O ATOM 179 CB CYS A 14 29.707 -6.852 -22.106 1.00 0.00 C ATOM 180 SG CYS A 14 29.027 -5.350 -22.893 1.00 0.00 S ATOM 0 H CYS A 14 27.305 -6.452 -21.598 1.00 0.00 H new ATOM 0 HA CYS A 14 28.736 -8.464 -23.146 1.00 0.00 H new ATOM 0 HB2 CYS A 14 29.969 -6.644 -21.069 1.00 0.00 H new ATOM 0 HB3 CYS A 14 30.624 -7.156 -22.612 1.00 0.00 H new ATOM 0 HG CYS A 14 29.784 -5.003 -23.891 1.00 0.00 H new ATOM 185 N ALA A 15 28.457 -8.802 -19.906 1.00 0.00 N ATOM 186 CA ALA A 15 28.656 -9.771 -18.788 1.00 0.00 C ATOM 187 C ALA A 15 28.395 -11.209 -19.270 1.00 0.00 C ATOM 188 O ALA A 15 29.110 -12.130 -18.928 1.00 0.00 O ATOM 189 CB ALA A 15 27.677 -9.434 -17.662 1.00 0.00 C ATOM 0 H ALA A 15 27.920 -7.971 -19.659 1.00 0.00 H new ATOM 0 HA ALA A 15 29.684 -9.700 -18.433 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.813 -10.136 -16.839 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.864 -8.420 -17.309 1.00 0.00 H new ATOM 0 HB3 ALA A 15 26.655 -9.506 -18.035 1.00 0.00 H new ATOM 195 N ALA A 16 27.359 -11.407 -20.041 1.00 0.00 N ATOM 196 CA ALA A 16 27.020 -12.782 -20.526 1.00 0.00 C ATOM 197 C ALA A 16 28.190 -13.419 -21.292 1.00 0.00 C ATOM 198 O ALA A 16 28.561 -14.549 -21.039 1.00 0.00 O ATOM 199 CB ALA A 16 25.804 -12.699 -21.451 1.00 0.00 C ATOM 0 H ALA A 16 26.727 -10.672 -20.359 1.00 0.00 H new ATOM 0 HA ALA A 16 26.805 -13.404 -19.657 1.00 0.00 H new ATOM 0 HB1 ALA A 16 25.550 -13.697 -21.809 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.958 -12.284 -20.903 1.00 0.00 H new ATOM 0 HB3 ALA A 16 26.036 -12.057 -22.301 1.00 0.00 H new ATOM 205 N CYS A 17 28.758 -12.724 -22.238 1.00 0.00 N ATOM 206 CA CYS A 17 29.880 -13.311 -23.028 1.00 0.00 C ATOM 207 C CYS A 17 31.199 -12.715 -22.572 1.00 0.00 C ATOM 208 O CYS A 17 32.144 -12.626 -23.329 1.00 0.00 O ATOM 209 CB CYS A 17 29.672 -12.989 -24.489 1.00 0.00 C ATOM 210 SG CYS A 17 28.185 -13.848 -25.079 1.00 0.00 S ATOM 0 H CYS A 17 28.494 -11.774 -22.499 1.00 0.00 H new ATOM 0 HA CYS A 17 29.902 -14.391 -22.879 1.00 0.00 H new ATOM 0 HB2 CYS A 17 29.564 -11.913 -24.626 1.00 0.00 H new ATOM 0 HB3 CYS A 17 30.541 -13.298 -25.070 1.00 0.00 H new ATOM 0 HG CYS A 17 27.996 -13.575 -26.336 1.00 0.00 H new ATOM 215 N HIS A 18 31.269 -12.291 -21.348 1.00 0.00 N ATOM 216 CA HIS A 18 32.525 -11.680 -20.862 1.00 0.00 C ATOM 217 C HIS A 18 32.558 -11.721 -19.332 1.00 0.00 C ATOM 218 O HIS A 18 33.346 -12.427 -18.732 1.00 0.00 O ATOM 219 CB HIS A 18 32.568 -10.235 -21.355 1.00 0.00 C ATOM 220 CG HIS A 18 32.867 -10.218 -22.813 1.00 0.00 C ATOM 221 ND1 HIS A 18 34.160 -10.308 -23.277 1.00 0.00 N ATOM 222 CD2 HIS A 18 32.069 -10.127 -23.923 1.00 0.00 C ATOM 223 CE1 HIS A 18 34.114 -10.274 -24.612 1.00 0.00 C ATOM 224 NE2 HIS A 18 32.862 -10.165 -25.065 1.00 0.00 N ATOM 0 H HIS A 18 30.513 -12.341 -20.666 1.00 0.00 H new ATOM 0 HA HIS A 18 33.389 -12.227 -21.238 1.00 0.00 H new ATOM 0 HB2 HIS A 18 31.613 -9.745 -21.163 1.00 0.00 H new ATOM 0 HB3 HIS A 18 33.329 -9.676 -20.810 1.00 0.00 H new ATOM 0 HD2 HIS A 18 30.993 -10.039 -23.913 1.00 0.00 H new ATOM 0 HE1 HIS A 18 34.985 -10.328 -25.249 1.00 0.00 H new ATOM 0 HE2 HIS A 18 32.555 -10.120 -26.037 1.00 0.00 H new ATOM 232 N MET A 19 31.700 -10.972 -18.701 1.00 0.00 N ATOM 233 CA MET A 19 31.658 -10.953 -17.207 1.00 0.00 C ATOM 234 C MET A 19 33.035 -10.590 -16.647 1.00 0.00 C ATOM 235 O MET A 19 33.987 -11.331 -16.792 1.00 0.00 O ATOM 236 CB MET A 19 31.245 -12.323 -16.688 1.00 0.00 C ATOM 237 CG MET A 19 30.078 -12.171 -15.709 1.00 0.00 C ATOM 238 SD MET A 19 28.610 -12.989 -16.381 1.00 0.00 S ATOM 239 CE MET A 19 28.855 -14.592 -15.579 1.00 0.00 C ATOM 0 H MET A 19 31.018 -10.365 -19.157 1.00 0.00 H new ATOM 0 HA MET A 19 30.932 -10.207 -16.884 1.00 0.00 H new ATOM 0 HB2 MET A 19 30.954 -12.965 -17.519 1.00 0.00 H new ATOM 0 HB3 MET A 19 32.088 -12.805 -16.193 1.00 0.00 H new ATOM 0 HG2 MET A 19 30.340 -12.607 -14.745 1.00 0.00 H new ATOM 0 HG3 MET A 19 29.871 -11.115 -15.536 1.00 0.00 H new ATOM 0 HE1 MET A 19 28.047 -15.267 -15.860 1.00 0.00 H new ATOM 0 HE2 MET A 19 29.808 -15.016 -15.896 1.00 0.00 H new ATOM 0 HE3 MET A 19 28.858 -14.461 -14.497 1.00 0.00 H new ATOM 249 N GLY A 20 33.147 -9.455 -16.001 1.00 0.00 N ATOM 250 CA GLY A 20 34.461 -9.040 -15.428 1.00 0.00 C ATOM 251 C GLY A 20 35.572 -9.392 -16.417 1.00 0.00 C ATOM 252 O GLY A 20 36.447 -10.184 -16.127 1.00 0.00 O ATOM 0 H GLY A 20 32.382 -8.798 -15.847 1.00 0.00 H new ATOM 0 HA2 GLY A 20 34.462 -7.969 -15.227 1.00 0.00 H new ATOM 0 HA3 GLY A 20 34.632 -9.543 -14.476 1.00 0.00 H new ATOM 256 N GLY A 21 35.536 -8.819 -17.588 1.00 0.00 N ATOM 257 CA GLY A 21 36.578 -9.130 -18.598 1.00 0.00 C ATOM 258 C GLY A 21 36.803 -10.644 -18.633 1.00 0.00 C ATOM 259 O GLY A 21 37.742 -11.152 -18.055 1.00 0.00 O ATOM 0 H GLY A 21 34.828 -8.148 -17.887 1.00 0.00 H new ATOM 0 HA2 GLY A 21 36.269 -8.773 -19.580 1.00 0.00 H new ATOM 0 HA3 GLY A 21 37.507 -8.617 -18.350 1.00 0.00 H new ATOM 263 N GLY A 22 35.944 -11.371 -19.297 1.00 0.00 N ATOM 264 CA GLY A 22 36.115 -12.851 -19.353 1.00 0.00 C ATOM 265 C GLY A 22 35.321 -13.423 -20.528 1.00 0.00 C ATOM 266 O GLY A 22 34.213 -13.894 -20.365 1.00 0.00 O ATOM 0 H GLY A 22 35.136 -11.006 -19.800 1.00 0.00 H new ATOM 0 HA2 GLY A 22 37.171 -13.100 -19.461 1.00 0.00 H new ATOM 0 HA3 GLY A 22 35.775 -13.301 -18.420 1.00 0.00 H new ATOM 270 N ASN A 23 35.885 -13.392 -21.705 1.00 0.00 N ATOM 271 CA ASN A 23 35.176 -13.937 -22.899 1.00 0.00 C ATOM 272 C ASN A 23 34.454 -15.233 -22.520 1.00 0.00 C ATOM 273 O ASN A 23 34.760 -15.856 -21.523 1.00 0.00 O ATOM 274 CB ASN A 23 36.200 -14.223 -23.997 1.00 0.00 C ATOM 275 CG ASN A 23 35.622 -13.811 -25.353 1.00 0.00 C ATOM 276 OD1 ASN A 23 34.420 -13.781 -25.532 1.00 0.00 O ATOM 277 ND2 ASN A 23 36.433 -13.488 -26.323 1.00 0.00 N ATOM 0 H ASN A 23 36.812 -13.010 -21.892 1.00 0.00 H new ATOM 0 HA ASN A 23 34.445 -13.212 -23.257 1.00 0.00 H new ATOM 0 HB2 ASN A 23 37.122 -13.675 -23.801 1.00 0.00 H new ATOM 0 HB3 ASN A 23 36.454 -15.283 -24.005 1.00 0.00 H new ATOM 0 HD21 ASN A 23 36.058 -13.211 -27.230 1.00 0.00 H new ATOM 0 HD22 ASN A 23 37.442 -13.513 -26.174 1.00 0.00 H new ATOM 284 N VAL A 24 33.489 -15.641 -23.301 1.00 0.00 N ATOM 285 CA VAL A 24 32.747 -16.884 -22.973 1.00 0.00 C ATOM 286 C VAL A 24 32.970 -17.932 -24.061 1.00 0.00 C ATOM 287 O VAL A 24 33.234 -19.084 -23.779 1.00 0.00 O ATOM 288 CB VAL A 24 31.256 -16.564 -22.871 1.00 0.00 C ATOM 289 CG1 VAL A 24 30.738 -16.103 -24.234 1.00 0.00 C ATOM 290 CG2 VAL A 24 30.503 -17.820 -22.443 1.00 0.00 C ATOM 0 H VAL A 24 33.186 -15.165 -24.150 1.00 0.00 H new ATOM 0 HA VAL A 24 33.108 -17.279 -22.023 1.00 0.00 H new ATOM 0 HB VAL A 24 31.101 -15.773 -22.138 1.00 0.00 H new ATOM 0 HG11 VAL A 24 29.675 -15.875 -24.161 1.00 0.00 H new ATOM 0 HG12 VAL A 24 31.280 -15.210 -24.546 1.00 0.00 H new ATOM 0 HG13 VAL A 24 30.890 -16.895 -24.968 1.00 0.00 H new ATOM 0 HG21 VAL A 24 29.438 -17.598 -22.368 1.00 0.00 H new ATOM 0 HG22 VAL A 24 30.659 -18.607 -23.181 1.00 0.00 H new ATOM 0 HG23 VAL A 24 30.873 -18.153 -21.473 1.00 0.00 H new ATOM 300 N VAL A 25 32.847 -17.556 -25.302 1.00 0.00 N ATOM 301 CA VAL A 25 33.033 -18.544 -26.390 1.00 0.00 C ATOM 302 C VAL A 25 34.469 -18.489 -26.929 1.00 0.00 C ATOM 303 O VAL A 25 35.056 -19.507 -27.238 1.00 0.00 O ATOM 304 CB VAL A 25 32.033 -18.242 -27.503 1.00 0.00 C ATOM 305 CG1 VAL A 25 32.269 -16.836 -28.054 1.00 0.00 C ATOM 306 CG2 VAL A 25 32.198 -19.269 -28.620 1.00 0.00 C ATOM 0 H VAL A 25 32.626 -16.608 -25.606 1.00 0.00 H new ATOM 0 HA VAL A 25 32.860 -19.549 -26.004 1.00 0.00 H new ATOM 0 HB VAL A 25 31.021 -18.296 -27.102 1.00 0.00 H new ATOM 0 HG11 VAL A 25 31.550 -16.631 -28.847 1.00 0.00 H new ATOM 0 HG12 VAL A 25 32.145 -16.106 -27.254 1.00 0.00 H new ATOM 0 HG13 VAL A 25 33.281 -16.767 -28.454 1.00 0.00 H new ATOM 0 HG21 VAL A 25 31.486 -19.057 -29.417 1.00 0.00 H new ATOM 0 HG22 VAL A 25 33.212 -19.216 -29.016 1.00 0.00 H new ATOM 0 HG23 VAL A 25 32.014 -20.268 -28.225 1.00 0.00 H new ATOM 316 N MET A 26 35.049 -17.323 -27.042 1.00 0.00 N ATOM 317 CA MET A 26 36.447 -17.245 -27.559 1.00 0.00 C ATOM 318 C MET A 26 37.422 -17.174 -26.382 1.00 0.00 C ATOM 319 O MET A 26 37.416 -16.232 -25.615 1.00 0.00 O ATOM 320 CB MET A 26 36.603 -15.998 -28.427 1.00 0.00 C ATOM 321 CG MET A 26 36.188 -16.330 -29.862 1.00 0.00 C ATOM 322 SD MET A 26 37.559 -15.968 -30.987 1.00 0.00 S ATOM 323 CE MET A 26 37.430 -17.471 -31.985 1.00 0.00 C ATOM 0 H MET A 26 34.620 -16.429 -26.801 1.00 0.00 H new ATOM 0 HA MET A 26 36.662 -18.131 -28.157 1.00 0.00 H new ATOM 0 HB2 MET A 26 35.987 -15.188 -28.036 1.00 0.00 H new ATOM 0 HB3 MET A 26 37.636 -15.652 -28.405 1.00 0.00 H new ATOM 0 HG2 MET A 26 35.910 -17.381 -29.937 1.00 0.00 H new ATOM 0 HG3 MET A 26 35.310 -15.747 -30.142 1.00 0.00 H new ATOM 0 HE1 MET A 26 38.197 -17.461 -32.759 1.00 0.00 H new ATOM 0 HE2 MET A 26 37.569 -18.344 -31.348 1.00 0.00 H new ATOM 0 HE3 MET A 26 36.445 -17.515 -32.451 1.00 0.00 H new ATOM 333 N ALA A 27 38.259 -18.165 -26.230 1.00 0.00 N ATOM 334 CA ALA A 27 39.232 -18.154 -25.100 1.00 0.00 C ATOM 335 C ALA A 27 40.528 -17.472 -25.545 1.00 0.00 C ATOM 336 O ALA A 27 41.546 -18.110 -25.725 1.00 0.00 O ATOM 337 CB ALA A 27 39.535 -19.590 -24.670 1.00 0.00 C ATOM 0 H ALA A 27 38.311 -18.981 -26.839 1.00 0.00 H new ATOM 0 HA ALA A 27 38.803 -17.606 -24.261 1.00 0.00 H new ATOM 0 HB1 ALA A 27 40.246 -19.580 -23.844 1.00 0.00 H new ATOM 0 HB2 ALA A 27 38.613 -20.076 -24.349 1.00 0.00 H new ATOM 0 HB3 ALA A 27 39.962 -20.139 -25.510 1.00 0.00 H new ATOM 343 N ASN A 28 40.498 -16.180 -25.714 1.00 0.00 N ATOM 344 CA ASN A 28 41.721 -15.449 -26.137 1.00 0.00 C ATOM 345 C ASN A 28 41.382 -13.970 -26.313 1.00 0.00 C ATOM 346 O ASN A 28 42.169 -13.099 -25.998 1.00 0.00 O ATOM 347 CB ASN A 28 42.237 -16.018 -27.463 1.00 0.00 C ATOM 348 CG ASN A 28 41.308 -15.587 -28.601 1.00 0.00 C ATOM 349 OD1 ASN A 28 41.710 -14.857 -29.484 1.00 0.00 O ATOM 350 ND2 ASN A 28 40.075 -16.011 -28.616 1.00 0.00 N ATOM 0 H ASN A 28 39.673 -15.597 -25.576 1.00 0.00 H new ATOM 0 HA ASN A 28 42.494 -15.564 -25.377 1.00 0.00 H new ATOM 0 HB2 ASN A 28 43.250 -15.664 -27.653 1.00 0.00 H new ATOM 0 HB3 ASN A 28 42.284 -17.106 -27.410 1.00 0.00 H new ATOM 0 HD21 ASN A 28 39.448 -15.729 -29.370 1.00 0.00 H new ATOM 0 HD22 ASN A 28 39.738 -16.624 -27.874 1.00 0.00 H new ATOM 357 N LYS A 29 40.212 -13.678 -26.812 1.00 0.00 N ATOM 358 CA LYS A 29 39.819 -12.256 -27.004 1.00 0.00 C ATOM 359 C LYS A 29 39.050 -11.774 -25.775 1.00 0.00 C ATOM 360 O LYS A 29 37.896 -11.402 -25.854 1.00 0.00 O ATOM 361 CB LYS A 29 38.939 -12.134 -28.248 1.00 0.00 C ATOM 362 CG LYS A 29 39.775 -11.593 -29.408 1.00 0.00 C ATOM 363 CD LYS A 29 38.985 -11.725 -30.710 1.00 0.00 C ATOM 364 CE LYS A 29 38.922 -13.197 -31.123 1.00 0.00 C ATOM 365 NZ LYS A 29 40.125 -13.537 -31.936 1.00 0.00 N ATOM 0 H LYS A 29 39.512 -14.364 -27.095 1.00 0.00 H new ATOM 0 HA LYS A 29 40.711 -11.643 -27.135 1.00 0.00 H new ATOM 0 HB2 LYS A 29 38.521 -13.106 -28.509 1.00 0.00 H new ATOM 0 HB3 LYS A 29 38.099 -11.469 -28.049 1.00 0.00 H new ATOM 0 HG2 LYS A 29 40.031 -10.549 -29.230 1.00 0.00 H new ATOM 0 HG3 LYS A 29 40.713 -12.143 -29.482 1.00 0.00 H new ATOM 0 HD2 LYS A 29 37.978 -11.330 -30.578 1.00 0.00 H new ATOM 0 HD3 LYS A 29 39.458 -11.136 -31.496 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.876 -13.832 -30.238 1.00 0.00 H new ATOM 0 HE3 LYS A 29 38.016 -13.386 -31.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.846 -14.148 -32.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 40.553 -12.664 -32.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.816 -14.037 -31.341 1.00 0.00 H new ATOM 379 N THR A 30 39.686 -11.786 -24.636 1.00 0.00 N ATOM 380 CA THR A 30 39.007 -11.336 -23.387 1.00 0.00 C ATOM 381 C THR A 30 39.125 -9.815 -23.260 1.00 0.00 C ATOM 382 O THR A 30 39.904 -9.186 -23.947 1.00 0.00 O ATOM 383 CB THR A 30 39.684 -11.998 -22.184 1.00 0.00 C ATOM 384 OG1 THR A 30 39.931 -13.366 -22.476 1.00 0.00 O ATOM 385 CG2 THR A 30 38.776 -11.893 -20.959 1.00 0.00 C ATOM 0 H THR A 30 40.652 -12.090 -24.516 1.00 0.00 H new ATOM 0 HA THR A 30 37.954 -11.616 -23.421 1.00 0.00 H new ATOM 0 HB THR A 30 40.627 -11.493 -21.976 1.00 0.00 H new ATOM 0 HG1 THR A 30 40.366 -13.791 -21.708 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.261 -12.365 -20.105 1.00 0.00 H new ATOM 0 HG22 THR A 30 38.588 -10.843 -20.735 1.00 0.00 H new ATOM 0 HG23 THR A 30 37.831 -12.396 -21.163 1.00 0.00 H new ATOM 393 N LEU A 31 38.361 -9.220 -22.383 1.00 0.00 N ATOM 394 CA LEU A 31 38.441 -7.741 -22.212 1.00 0.00 C ATOM 395 C LEU A 31 39.409 -7.417 -21.077 1.00 0.00 C ATOM 396 O LEU A 31 39.794 -6.286 -20.889 1.00 0.00 O ATOM 397 CB LEU A 31 37.064 -7.169 -21.870 1.00 0.00 C ATOM 398 CG LEU A 31 35.955 -7.966 -22.575 1.00 0.00 C ATOM 399 CD1 LEU A 31 34.718 -7.082 -22.743 1.00 0.00 C ATOM 400 CD2 LEU A 31 36.420 -8.411 -23.964 1.00 0.00 C ATOM 0 H LEU A 31 37.688 -9.692 -21.780 1.00 0.00 H new ATOM 0 HA LEU A 31 38.791 -7.297 -23.144 1.00 0.00 H new ATOM 0 HB2 LEU A 31 36.910 -7.198 -20.791 1.00 0.00 H new ATOM 0 HB3 LEU A 31 37.014 -6.123 -22.171 1.00 0.00 H new ATOM 0 HG LEU A 31 35.720 -8.841 -21.969 1.00 0.00 H new ATOM 0 HD11 LEU A 31 33.932 -7.648 -23.243 1.00 0.00 H new ATOM 0 HD12 LEU A 31 34.366 -6.759 -21.763 1.00 0.00 H new ATOM 0 HD13 LEU A 31 34.974 -6.208 -23.343 1.00 0.00 H new ATOM 0 HD21 LEU A 31 35.624 -8.974 -24.451 1.00 0.00 H new ATOM 0 HD22 LEU A 31 36.664 -7.534 -24.564 1.00 0.00 H new ATOM 0 HD23 LEU A 31 37.304 -9.042 -23.867 1.00 0.00 H new ATOM 412 N LYS A 32 39.791 -8.406 -20.313 1.00 0.00 N ATOM 413 CA LYS A 32 40.717 -8.169 -19.168 1.00 0.00 C ATOM 414 C LYS A 32 41.771 -7.116 -19.518 1.00 0.00 C ATOM 415 O LYS A 32 41.610 -5.949 -19.221 1.00 0.00 O ATOM 416 CB LYS A 32 41.416 -9.475 -18.798 1.00 0.00 C ATOM 417 CG LYS A 32 40.972 -9.912 -17.403 1.00 0.00 C ATOM 418 CD LYS A 32 40.374 -11.313 -17.486 1.00 0.00 C ATOM 419 CE LYS A 32 41.502 -12.346 -17.506 1.00 0.00 C ATOM 420 NZ LYS A 32 41.371 -13.203 -18.718 1.00 0.00 N ATOM 0 H LYS A 32 39.498 -9.376 -20.435 1.00 0.00 H new ATOM 0 HA LYS A 32 40.130 -7.804 -18.325 1.00 0.00 H new ATOM 0 HB2 LYS A 32 41.175 -10.248 -19.527 1.00 0.00 H new ATOM 0 HB3 LYS A 32 42.497 -9.341 -18.822 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.821 -9.905 -16.719 1.00 0.00 H new ATOM 0 HG3 LYS A 32 40.237 -9.212 -17.006 1.00 0.00 H new ATOM 0 HD2 LYS A 32 39.718 -11.491 -16.634 1.00 0.00 H new ATOM 0 HD3 LYS A 32 39.764 -11.407 -18.384 1.00 0.00 H new ATOM 0 HE2 LYS A 32 42.469 -11.844 -17.506 1.00 0.00 H new ATOM 0 HE3 LYS A 32 41.462 -12.961 -16.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 42.138 -13.905 -18.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 40.454 -13.693 -18.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 41.430 -12.610 -19.570 1.00 0.00 H new ATOM 434 N LYS A 33 42.856 -7.509 -20.134 1.00 0.00 N ATOM 435 CA LYS A 33 43.913 -6.510 -20.474 1.00 0.00 C ATOM 436 C LYS A 33 44.902 -7.102 -21.480 1.00 0.00 C ATOM 437 O LYS A 33 45.320 -6.450 -22.415 1.00 0.00 O ATOM 438 CB LYS A 33 44.672 -6.141 -19.201 1.00 0.00 C ATOM 439 CG LYS A 33 45.512 -7.339 -18.745 1.00 0.00 C ATOM 440 CD LYS A 33 46.068 -7.070 -17.344 1.00 0.00 C ATOM 441 CE LYS A 33 47.195 -6.038 -17.429 1.00 0.00 C ATOM 442 NZ LYS A 33 46.809 -4.820 -16.662 1.00 0.00 N ATOM 0 H LYS A 33 43.055 -8.469 -20.414 1.00 0.00 H new ATOM 0 HA LYS A 33 43.442 -5.629 -20.910 1.00 0.00 H new ATOM 0 HB2 LYS A 33 45.315 -5.280 -19.384 1.00 0.00 H new ATOM 0 HB3 LYS A 33 43.971 -5.854 -18.417 1.00 0.00 H new ATOM 0 HG2 LYS A 33 44.902 -8.243 -18.738 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.329 -7.511 -19.445 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.275 -6.705 -16.691 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.441 -7.996 -16.906 1.00 0.00 H new ATOM 0 HE2 LYS A 33 48.118 -6.457 -17.028 1.00 0.00 H new ATOM 0 HE3 LYS A 33 47.389 -5.780 -18.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 47.574 -4.117 -16.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.939 -4.418 -17.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 46.645 -5.074 -15.667 1.00 0.00 H new ATOM 456 N GLU A 34 45.301 -8.322 -21.272 1.00 0.00 N ATOM 457 CA GLU A 34 46.290 -8.956 -22.184 1.00 0.00 C ATOM 458 C GLU A 34 45.691 -9.179 -23.576 1.00 0.00 C ATOM 459 O GLU A 34 46.307 -8.880 -24.580 1.00 0.00 O ATOM 460 CB GLU A 34 46.722 -10.304 -21.604 1.00 0.00 C ATOM 461 CG GLU A 34 47.816 -10.081 -20.559 1.00 0.00 C ATOM 462 CD GLU A 34 49.068 -10.864 -20.957 1.00 0.00 C ATOM 463 OE1 GLU A 34 49.167 -12.019 -20.576 1.00 0.00 O ATOM 464 OE2 GLU A 34 49.906 -10.297 -21.639 1.00 0.00 O ATOM 0 H GLU A 34 44.983 -8.912 -20.504 1.00 0.00 H new ATOM 0 HA GLU A 34 47.148 -8.290 -22.277 1.00 0.00 H new ATOM 0 HB2 GLU A 34 45.868 -10.808 -21.151 1.00 0.00 H new ATOM 0 HB3 GLU A 34 47.090 -10.953 -22.399 1.00 0.00 H new ATOM 0 HG2 GLU A 34 48.048 -9.019 -20.481 1.00 0.00 H new ATOM 0 HG3 GLU A 34 47.468 -10.405 -19.578 1.00 0.00 H new ATOM 471 N ALA A 35 44.511 -9.724 -23.647 1.00 0.00 N ATOM 472 CA ALA A 35 43.891 -9.993 -24.972 1.00 0.00 C ATOM 473 C ALA A 35 43.590 -8.684 -25.703 1.00 0.00 C ATOM 474 O ALA A 35 43.861 -8.544 -26.878 1.00 0.00 O ATOM 475 CB ALA A 35 42.590 -10.775 -24.775 1.00 0.00 C ATOM 0 H ALA A 35 43.947 -9.996 -22.842 1.00 0.00 H new ATOM 0 HA ALA A 35 44.589 -10.576 -25.572 1.00 0.00 H new ATOM 0 HB1 ALA A 35 42.134 -10.973 -25.745 1.00 0.00 H new ATOM 0 HB2 ALA A 35 42.805 -11.720 -24.276 1.00 0.00 H new ATOM 0 HB3 ALA A 35 41.903 -10.190 -24.164 1.00 0.00 H new ATOM 481 N LEU A 36 43.017 -7.734 -25.025 1.00 0.00 N ATOM 482 CA LEU A 36 42.681 -6.445 -25.697 1.00 0.00 C ATOM 483 C LEU A 36 43.953 -5.755 -26.183 1.00 0.00 C ATOM 484 O LEU A 36 43.969 -5.129 -27.223 1.00 0.00 O ATOM 485 CB LEU A 36 41.933 -5.520 -24.732 1.00 0.00 C ATOM 486 CG LEU A 36 42.628 -5.487 -23.381 1.00 0.00 C ATOM 487 CD1 LEU A 36 42.503 -4.088 -22.780 1.00 0.00 C ATOM 488 CD2 LEU A 36 41.948 -6.486 -22.455 1.00 0.00 C ATOM 0 H LEU A 36 42.766 -7.790 -24.038 1.00 0.00 H new ATOM 0 HA LEU A 36 42.041 -6.660 -26.553 1.00 0.00 H new ATOM 0 HB2 LEU A 36 41.885 -4.513 -25.148 1.00 0.00 H new ATOM 0 HB3 LEU A 36 40.906 -5.865 -24.611 1.00 0.00 H new ATOM 0 HG LEU A 36 43.681 -5.741 -23.501 1.00 0.00 H new ATOM 0 HD11 LEU A 36 43.001 -4.063 -21.811 1.00 0.00 H new ATOM 0 HD12 LEU A 36 42.969 -3.363 -23.447 1.00 0.00 H new ATOM 0 HD13 LEU A 36 41.449 -3.839 -22.653 1.00 0.00 H new ATOM 0 HD21 LEU A 36 42.438 -6.472 -21.481 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.898 -6.217 -22.337 1.00 0.00 H new ATOM 0 HD23 LEU A 36 42.020 -7.486 -22.883 1.00 0.00 H new ATOM 500 N GLU A 37 45.016 -5.859 -25.444 1.00 0.00 N ATOM 501 CA GLU A 37 46.270 -5.207 -25.870 1.00 0.00 C ATOM 502 C GLU A 37 47.105 -6.195 -26.681 1.00 0.00 C ATOM 503 O GLU A 37 48.222 -5.915 -27.068 1.00 0.00 O ATOM 504 CB GLU A 37 47.037 -4.746 -24.635 1.00 0.00 C ATOM 505 CG GLU A 37 46.085 -3.951 -23.738 1.00 0.00 C ATOM 506 CD GLU A 37 46.472 -4.161 -22.273 1.00 0.00 C ATOM 507 OE1 GLU A 37 47.191 -5.108 -22.000 1.00 0.00 O ATOM 508 OE2 GLU A 37 46.042 -3.371 -21.449 1.00 0.00 O ATOM 0 H GLU A 37 45.067 -6.369 -24.562 1.00 0.00 H new ATOM 0 HA GLU A 37 46.049 -4.341 -26.494 1.00 0.00 H new ATOM 0 HB2 GLU A 37 47.437 -5.605 -24.095 1.00 0.00 H new ATOM 0 HB3 GLU A 37 47.887 -4.129 -24.926 1.00 0.00 H new ATOM 0 HG2 GLU A 37 46.131 -2.891 -23.989 1.00 0.00 H new ATOM 0 HG3 GLU A 37 45.057 -4.274 -23.904 1.00 0.00 H new ATOM 515 N GLN A 38 46.558 -7.348 -26.959 1.00 0.00 N ATOM 516 CA GLN A 38 47.282 -8.352 -27.752 1.00 0.00 C ATOM 517 C GLN A 38 46.940 -8.118 -29.220 1.00 0.00 C ATOM 518 O GLN A 38 47.801 -7.929 -30.054 1.00 0.00 O ATOM 519 CB GLN A 38 46.821 -9.749 -27.320 1.00 0.00 C ATOM 520 CG GLN A 38 47.134 -10.756 -28.423 1.00 0.00 C ATOM 521 CD GLN A 38 48.600 -10.614 -28.830 1.00 0.00 C ATOM 522 OE1 GLN A 38 48.975 -10.967 -29.931 1.00 0.00 O ATOM 523 NE2 GLN A 38 49.451 -10.106 -27.980 1.00 0.00 N ATOM 0 H GLN A 38 45.625 -7.630 -26.660 1.00 0.00 H new ATOM 0 HA GLN A 38 48.359 -8.273 -27.603 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.322 -10.039 -26.396 1.00 0.00 H new ATOM 0 HB3 GLN A 38 45.751 -9.742 -27.113 1.00 0.00 H new ATOM 0 HG2 GLN A 38 46.938 -11.770 -28.073 1.00 0.00 H new ATOM 0 HG3 GLN A 38 46.487 -10.584 -29.283 1.00 0.00 H new ATOM 0 HE21 GLN A 38 49.135 -9.810 -27.057 1.00 0.00 H new ATOM 0 HE22 GLN A 38 50.432 -10.005 -28.239 1.00 0.00 H new ATOM 532 N PHE A 39 45.673 -8.125 -29.532 1.00 0.00 N ATOM 533 CA PHE A 39 45.256 -7.898 -30.934 1.00 0.00 C ATOM 534 C PHE A 39 45.070 -6.399 -31.190 1.00 0.00 C ATOM 535 O PHE A 39 45.608 -5.856 -32.136 1.00 0.00 O ATOM 536 CB PHE A 39 43.955 -8.645 -31.247 1.00 0.00 C ATOM 537 CG PHE A 39 43.147 -8.904 -29.998 1.00 0.00 C ATOM 538 CD1 PHE A 39 42.341 -7.896 -29.451 1.00 0.00 C ATOM 539 CD2 PHE A 39 43.187 -10.168 -29.396 1.00 0.00 C ATOM 540 CE1 PHE A 39 41.581 -8.155 -28.304 1.00 0.00 C ATOM 541 CE2 PHE A 39 42.426 -10.424 -28.251 1.00 0.00 C ATOM 542 CZ PHE A 39 41.623 -9.418 -27.705 1.00 0.00 C ATOM 0 H PHE A 39 44.911 -8.279 -28.871 1.00 0.00 H new ATOM 0 HA PHE A 39 46.039 -8.282 -31.588 1.00 0.00 H new ATOM 0 HB2 PHE A 39 43.361 -8.062 -31.951 1.00 0.00 H new ATOM 0 HB3 PHE A 39 44.187 -9.592 -31.734 1.00 0.00 H new ATOM 0 HD1 PHE A 39 42.306 -6.921 -29.914 1.00 0.00 H new ATOM 0 HD2 PHE A 39 43.807 -10.946 -29.817 1.00 0.00 H new ATOM 0 HE1 PHE A 39 40.961 -7.378 -27.881 1.00 0.00 H new ATOM 0 HE2 PHE A 39 42.459 -11.399 -27.788 1.00 0.00 H new ATOM 0 HZ PHE A 39 41.035 -9.616 -26.821 1.00 0.00 H new ATOM 552 N GLY A 40 44.327 -5.715 -30.360 1.00 0.00 N ATOM 553 CA GLY A 40 44.142 -4.251 -30.581 1.00 0.00 C ATOM 554 C GLY A 40 42.697 -3.819 -30.291 1.00 0.00 C ATOM 555 O GLY A 40 42.183 -2.911 -30.914 1.00 0.00 O ATOM 0 H GLY A 40 43.845 -6.101 -29.548 1.00 0.00 H new ATOM 0 HA2 GLY A 40 44.825 -3.695 -29.939 1.00 0.00 H new ATOM 0 HA3 GLY A 40 44.398 -4.002 -31.611 1.00 0.00 H new ATOM 559 N MET A 41 42.039 -4.433 -29.344 1.00 0.00 N ATOM 560 CA MET A 41 40.640 -4.011 -29.027 1.00 0.00 C ATOM 561 C MET A 41 40.695 -2.853 -28.027 1.00 0.00 C ATOM 562 O MET A 41 39.800 -2.036 -27.939 1.00 0.00 O ATOM 563 CB MET A 41 39.861 -5.178 -28.422 1.00 0.00 C ATOM 564 CG MET A 41 40.202 -5.300 -26.940 1.00 0.00 C ATOM 565 SD MET A 41 39.078 -4.258 -25.971 1.00 0.00 S ATOM 566 CE MET A 41 38.688 -5.457 -24.672 1.00 0.00 C ATOM 0 H MET A 41 42.403 -5.201 -28.780 1.00 0.00 H new ATOM 0 HA MET A 41 40.136 -3.695 -29.940 1.00 0.00 H new ATOM 0 HB2 MET A 41 38.790 -5.019 -28.548 1.00 0.00 H new ATOM 0 HB3 MET A 41 40.109 -6.104 -28.941 1.00 0.00 H new ATOM 0 HG2 MET A 41 40.117 -6.339 -26.621 1.00 0.00 H new ATOM 0 HG3 MET A 41 41.235 -4.997 -26.768 1.00 0.00 H new ATOM 0 HE1 MET A 41 37.642 -5.353 -24.383 1.00 0.00 H new ATOM 0 HE2 MET A 41 38.863 -6.466 -25.044 1.00 0.00 H new ATOM 0 HE3 MET A 41 39.324 -5.274 -23.806 1.00 0.00 H new ATOM 576 N TYR A 42 41.754 -2.797 -27.270 1.00 0.00 N ATOM 577 CA TYR A 42 41.925 -1.725 -26.252 1.00 0.00 C ATOM 578 C TYR A 42 41.481 -0.370 -26.814 1.00 0.00 C ATOM 579 O TYR A 42 41.145 0.536 -26.078 1.00 0.00 O ATOM 580 CB TYR A 42 43.408 -1.661 -25.872 1.00 0.00 C ATOM 581 CG TYR A 42 43.591 -0.849 -24.611 1.00 0.00 C ATOM 582 CD1 TYR A 42 43.378 0.536 -24.628 1.00 0.00 C ATOM 583 CD2 TYR A 42 43.973 -1.481 -23.423 1.00 0.00 C ATOM 584 CE1 TYR A 42 43.548 1.285 -23.458 1.00 0.00 C ATOM 585 CE2 TYR A 42 44.141 -0.733 -22.252 1.00 0.00 C ATOM 586 CZ TYR A 42 43.929 0.651 -22.270 1.00 0.00 C ATOM 587 OH TYR A 42 44.095 1.388 -21.115 1.00 0.00 O ATOM 0 H TYR A 42 42.524 -3.464 -27.316 1.00 0.00 H new ATOM 0 HA TYR A 42 41.312 -1.949 -25.379 1.00 0.00 H new ATOM 0 HB2 TYR A 42 43.796 -2.669 -25.723 1.00 0.00 H new ATOM 0 HB3 TYR A 42 43.980 -1.216 -26.686 1.00 0.00 H new ATOM 0 HD1 TYR A 42 43.083 1.026 -25.544 1.00 0.00 H new ATOM 0 HD2 TYR A 42 44.139 -2.548 -23.409 1.00 0.00 H new ATOM 0 HE1 TYR A 42 43.385 2.353 -23.472 1.00 0.00 H new ATOM 0 HE2 TYR A 42 44.434 -1.223 -21.335 1.00 0.00 H new ATOM 0 HH TYR A 42 44.359 0.793 -20.383 1.00 0.00 H new ATOM 597 N SER A 43 41.485 -0.214 -28.108 1.00 0.00 N ATOM 598 CA SER A 43 41.078 1.091 -28.698 1.00 0.00 C ATOM 599 C SER A 43 39.555 1.159 -28.839 1.00 0.00 C ATOM 600 O SER A 43 38.918 0.228 -29.293 1.00 0.00 O ATOM 601 CB SER A 43 41.723 1.252 -30.077 1.00 0.00 C ATOM 602 OG SER A 43 40.981 0.512 -31.036 1.00 0.00 O ATOM 0 H SER A 43 41.752 -0.932 -28.781 1.00 0.00 H new ATOM 0 HA SER A 43 41.409 1.894 -28.039 1.00 0.00 H new ATOM 0 HB2 SER A 43 41.751 2.305 -30.357 1.00 0.00 H new ATOM 0 HB3 SER A 43 42.755 0.902 -30.051 1.00 0.00 H new ATOM 0 HG SER A 43 41.528 0.374 -31.837 1.00 0.00 H new ATOM 608 N GLU A 44 38.972 2.262 -28.456 1.00 0.00 N ATOM 609 CA GLU A 44 37.499 2.415 -28.569 1.00 0.00 C ATOM 610 C GLU A 44 37.051 2.010 -29.967 1.00 0.00 C ATOM 611 O GLU A 44 36.201 1.180 -30.122 1.00 0.00 O ATOM 612 CB GLU A 44 37.118 3.874 -28.313 1.00 0.00 C ATOM 613 CG GLU A 44 36.594 4.020 -26.882 1.00 0.00 C ATOM 614 CD GLU A 44 35.553 5.142 -26.832 1.00 0.00 C ATOM 615 OE1 GLU A 44 35.922 6.277 -27.081 1.00 0.00 O ATOM 616 OE2 GLU A 44 34.405 4.845 -26.543 1.00 0.00 O ATOM 0 H GLU A 44 39.460 3.069 -28.067 1.00 0.00 H new ATOM 0 HA GLU A 44 37.010 1.777 -27.833 1.00 0.00 H new ATOM 0 HB2 GLU A 44 37.984 4.519 -28.462 1.00 0.00 H new ATOM 0 HB3 GLU A 44 36.357 4.193 -29.025 1.00 0.00 H new ATOM 0 HG2 GLU A 44 36.150 3.082 -26.548 1.00 0.00 H new ATOM 0 HG3 GLU A 44 37.417 4.242 -26.203 1.00 0.00 H new ATOM 623 N ASP A 45 37.603 2.591 -30.988 1.00 0.00 N ATOM 624 CA ASP A 45 37.170 2.221 -32.364 1.00 0.00 C ATOM 625 C ASP A 45 37.233 0.699 -32.562 1.00 0.00 C ATOM 626 O ASP A 45 36.451 0.131 -33.296 1.00 0.00 O ATOM 627 CB ASP A 45 38.073 2.902 -33.378 1.00 0.00 C ATOM 628 CG ASP A 45 37.623 2.539 -34.795 1.00 0.00 C ATOM 629 OD1 ASP A 45 36.492 2.106 -34.943 1.00 0.00 O ATOM 630 OD2 ASP A 45 38.417 2.702 -35.707 1.00 0.00 O ATOM 0 H ASP A 45 38.332 3.303 -30.934 1.00 0.00 H new ATOM 0 HA ASP A 45 36.140 2.548 -32.506 1.00 0.00 H new ATOM 0 HB2 ASP A 45 38.040 3.983 -33.241 1.00 0.00 H new ATOM 0 HB3 ASP A 45 39.107 2.593 -33.224 1.00 0.00 H new ATOM 635 N ALA A 46 38.167 0.040 -31.930 1.00 0.00 N ATOM 636 CA ALA A 46 38.293 -1.441 -32.099 1.00 0.00 C ATOM 637 C ALA A 46 37.099 -2.170 -31.483 1.00 0.00 C ATOM 638 O ALA A 46 36.285 -2.748 -32.177 1.00 0.00 O ATOM 639 CB ALA A 46 39.579 -1.918 -31.425 1.00 0.00 C ATOM 0 H ALA A 46 38.851 0.463 -31.302 1.00 0.00 H new ATOM 0 HA ALA A 46 38.320 -1.665 -33.165 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.675 -2.997 -31.546 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.435 -1.424 -31.884 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.546 -1.673 -30.363 1.00 0.00 H new ATOM 645 N ILE A 47 37.002 -2.165 -30.188 1.00 0.00 N ATOM 646 CA ILE A 47 35.878 -2.871 -29.511 1.00 0.00 C ATOM 647 C ILE A 47 34.561 -2.178 -29.838 1.00 0.00 C ATOM 648 O ILE A 47 33.497 -2.750 -29.732 1.00 0.00 O ATOM 649 CB ILE A 47 36.142 -2.840 -28.018 1.00 0.00 C ATOM 650 CG1 ILE A 47 35.020 -3.529 -27.254 1.00 0.00 C ATOM 651 CG2 ILE A 47 36.221 -1.402 -27.534 1.00 0.00 C ATOM 652 CD1 ILE A 47 35.326 -3.411 -25.759 1.00 0.00 C ATOM 0 H ILE A 47 37.657 -1.699 -29.561 1.00 0.00 H new ATOM 0 HA ILE A 47 35.808 -3.903 -29.854 1.00 0.00 H new ATOM 0 HB ILE A 47 37.084 -3.359 -27.838 1.00 0.00 H new ATOM 0 HG12 ILE A 47 34.061 -3.065 -27.485 1.00 0.00 H new ATOM 0 HG13 ILE A 47 34.946 -4.576 -27.547 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.411 -1.389 -26.461 1.00 0.00 H new ATOM 0 HG22 ILE A 47 37.031 -0.888 -28.052 1.00 0.00 H new ATOM 0 HG23 ILE A 47 35.278 -0.896 -27.742 1.00 0.00 H new ATOM 0 HD11 ILE A 47 34.536 -3.897 -25.186 1.00 0.00 H new ATOM 0 HD12 ILE A 47 36.280 -3.893 -25.544 1.00 0.00 H new ATOM 0 HD13 ILE A 47 35.380 -2.359 -25.481 1.00 0.00 H new ATOM 664 N ILE A 48 34.633 -0.960 -30.268 1.00 0.00 N ATOM 665 CA ILE A 48 33.395 -0.228 -30.644 1.00 0.00 C ATOM 666 C ILE A 48 32.845 -0.905 -31.897 1.00 0.00 C ATOM 667 O ILE A 48 31.663 -0.871 -32.178 1.00 0.00 O ATOM 668 CB ILE A 48 33.726 1.246 -30.938 1.00 0.00 C ATOM 669 CG1 ILE A 48 33.824 2.032 -29.628 1.00 0.00 C ATOM 670 CG2 ILE A 48 32.629 1.871 -31.789 1.00 0.00 C ATOM 671 CD1 ILE A 48 34.184 3.487 -29.932 1.00 0.00 C ATOM 0 H ILE A 48 35.499 -0.432 -30.378 1.00 0.00 H new ATOM 0 HA ILE A 48 32.663 -0.251 -29.836 1.00 0.00 H new ATOM 0 HB ILE A 48 34.677 1.283 -31.470 1.00 0.00 H new ATOM 0 HG12 ILE A 48 32.876 1.985 -29.092 1.00 0.00 H new ATOM 0 HG13 ILE A 48 34.579 1.587 -28.980 1.00 0.00 H new ATOM 0 HG21 ILE A 48 32.874 2.914 -31.990 1.00 0.00 H new ATOM 0 HG22 ILE A 48 32.546 1.329 -32.731 1.00 0.00 H new ATOM 0 HG23 ILE A 48 31.680 1.818 -31.255 1.00 0.00 H new ATOM 0 HD11 ILE A 48 34.254 4.047 -28.999 1.00 0.00 H new ATOM 0 HD12 ILE A 48 35.142 3.524 -30.450 1.00 0.00 H new ATOM 0 HD13 ILE A 48 33.413 3.928 -30.563 1.00 0.00 H new ATOM 683 N TYR A 49 33.714 -1.532 -32.643 1.00 0.00 N ATOM 684 CA TYR A 49 33.287 -2.237 -33.878 1.00 0.00 C ATOM 685 C TYR A 49 32.853 -3.664 -33.525 1.00 0.00 C ATOM 686 O TYR A 49 31.690 -3.995 -33.607 1.00 0.00 O ATOM 687 CB TYR A 49 34.452 -2.281 -34.869 1.00 0.00 C ATOM 688 CG TYR A 49 34.081 -3.144 -36.050 1.00 0.00 C ATOM 689 CD1 TYR A 49 33.093 -2.716 -36.945 1.00 0.00 C ATOM 690 CD2 TYR A 49 34.725 -4.370 -36.253 1.00 0.00 C ATOM 691 CE1 TYR A 49 32.751 -3.513 -38.044 1.00 0.00 C ATOM 692 CE2 TYR A 49 34.383 -5.168 -37.351 1.00 0.00 C ATOM 693 CZ TYR A 49 33.396 -4.740 -38.247 1.00 0.00 C ATOM 694 OH TYR A 49 33.058 -5.527 -39.329 1.00 0.00 O ATOM 0 H TYR A 49 34.713 -1.584 -32.444 1.00 0.00 H new ATOM 0 HA TYR A 49 32.449 -1.707 -34.331 1.00 0.00 H new ATOM 0 HB2 TYR A 49 34.695 -1.273 -35.205 1.00 0.00 H new ATOM 0 HB3 TYR A 49 35.342 -2.678 -34.381 1.00 0.00 H new ATOM 0 HD1 TYR A 49 32.595 -1.771 -36.788 1.00 0.00 H new ATOM 0 HD2 TYR A 49 35.486 -4.701 -35.562 1.00 0.00 H new ATOM 0 HE1 TYR A 49 31.990 -3.182 -38.735 1.00 0.00 H new ATOM 0 HE2 TYR A 49 34.880 -6.114 -37.507 1.00 0.00 H new ATOM 0 HH TYR A 49 33.871 -5.794 -39.806 1.00 0.00 H new ATOM 704 N GLN A 50 33.765 -4.523 -33.127 1.00 0.00 N ATOM 705 CA GLN A 50 33.339 -5.916 -32.788 1.00 0.00 C ATOM 706 C GLN A 50 32.060 -5.851 -31.947 1.00 0.00 C ATOM 707 O GLN A 50 31.252 -6.754 -31.958 1.00 0.00 O ATOM 708 CB GLN A 50 34.437 -6.684 -32.045 1.00 0.00 C ATOM 709 CG GLN A 50 35.144 -5.773 -31.059 1.00 0.00 C ATOM 710 CD GLN A 50 36.448 -5.244 -31.674 1.00 0.00 C ATOM 711 OE1 GLN A 50 37.324 -4.784 -30.969 1.00 0.00 O ATOM 712 NE2 GLN A 50 36.616 -5.279 -32.969 1.00 0.00 N ATOM 0 H GLN A 50 34.760 -4.325 -33.025 1.00 0.00 H new ATOM 0 HA GLN A 50 33.148 -6.458 -33.714 1.00 0.00 H new ATOM 0 HB2 GLN A 50 34.003 -7.534 -31.518 1.00 0.00 H new ATOM 0 HB3 GLN A 50 35.156 -7.085 -32.759 1.00 0.00 H new ATOM 0 HG2 GLN A 50 34.494 -4.940 -30.791 1.00 0.00 H new ATOM 0 HG3 GLN A 50 35.360 -6.317 -30.140 1.00 0.00 H new ATOM 0 HE21 GLN A 50 35.885 -5.664 -33.568 1.00 0.00 H new ATOM 0 HE22 GLN A 50 37.478 -4.922 -33.381 1.00 0.00 H new ATOM 721 N VAL A 51 31.851 -4.764 -31.251 1.00 0.00 N ATOM 722 CA VAL A 51 30.604 -4.615 -30.451 1.00 0.00 C ATOM 723 C VAL A 51 29.469 -4.190 -31.387 1.00 0.00 C ATOM 724 O VAL A 51 28.371 -4.705 -31.341 1.00 0.00 O ATOM 725 CB VAL A 51 30.798 -3.515 -29.407 1.00 0.00 C ATOM 726 CG1 VAL A 51 29.453 -3.178 -28.759 1.00 0.00 C ATOM 727 CG2 VAL A 51 31.769 -3.996 -28.328 1.00 0.00 C ATOM 0 H VAL A 51 32.493 -3.973 -31.203 1.00 0.00 H new ATOM 0 HA VAL A 51 30.369 -5.560 -29.961 1.00 0.00 H new ATOM 0 HB VAL A 51 31.202 -2.627 -29.894 1.00 0.00 H new ATOM 0 HG11 VAL A 51 29.594 -2.394 -28.015 1.00 0.00 H new ATOM 0 HG12 VAL A 51 28.757 -2.832 -29.524 1.00 0.00 H new ATOM 0 HG13 VAL A 51 29.049 -4.068 -28.276 1.00 0.00 H new ATOM 0 HG21 VAL A 51 31.906 -3.210 -27.585 1.00 0.00 H new ATOM 0 HG22 VAL A 51 31.365 -4.886 -27.845 1.00 0.00 H new ATOM 0 HG23 VAL A 51 32.730 -4.235 -28.784 1.00 0.00 H new ATOM 737 N GLN A 52 29.738 -3.228 -32.225 1.00 0.00 N ATOM 738 CA GLN A 52 28.699 -2.710 -33.156 1.00 0.00 C ATOM 739 C GLN A 52 28.273 -3.757 -34.171 1.00 0.00 C ATOM 740 O GLN A 52 27.283 -3.588 -34.855 1.00 0.00 O ATOM 741 CB GLN A 52 29.256 -1.521 -33.907 1.00 0.00 C ATOM 742 CG GLN A 52 28.547 -0.248 -33.434 1.00 0.00 C ATOM 743 CD GLN A 52 29.574 0.853 -33.176 1.00 0.00 C ATOM 744 OE1 GLN A 52 29.397 1.669 -32.292 1.00 0.00 O ATOM 745 NE2 GLN A 52 30.644 0.919 -33.914 1.00 0.00 N ATOM 0 H GLN A 52 30.647 -2.773 -32.305 1.00 0.00 H new ATOM 0 HA GLN A 52 27.830 -2.432 -32.560 1.00 0.00 H new ATOM 0 HB2 GLN A 52 30.329 -1.438 -33.736 1.00 0.00 H new ATOM 0 HB3 GLN A 52 29.113 -1.654 -34.979 1.00 0.00 H new ATOM 0 HG2 GLN A 52 27.830 0.080 -34.186 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.983 -0.452 -32.524 1.00 0.00 H new ATOM 0 HE21 GLN A 52 30.795 0.236 -34.656 1.00 0.00 H new ATOM 0 HE22 GLN A 52 31.332 1.654 -33.750 1.00 0.00 H new ATOM 754 N HIS A 53 28.988 -4.828 -34.305 1.00 0.00 N ATOM 755 CA HIS A 53 28.572 -5.830 -35.296 1.00 0.00 C ATOM 756 C HIS A 53 29.106 -7.174 -34.871 1.00 0.00 C ATOM 757 O HIS A 53 29.248 -8.078 -35.670 1.00 0.00 O ATOM 758 CB HIS A 53 29.151 -5.505 -36.655 1.00 0.00 C ATOM 759 CG HIS A 53 29.470 -4.033 -36.779 1.00 0.00 C ATOM 760 ND1 HIS A 53 28.786 -3.197 -37.650 1.00 0.00 N ATOM 761 CD2 HIS A 53 30.415 -3.238 -36.175 1.00 0.00 C ATOM 762 CE1 HIS A 53 29.328 -1.968 -37.543 1.00 0.00 C ATOM 763 NE2 HIS A 53 30.324 -1.942 -36.662 1.00 0.00 N ATOM 0 H HIS A 53 29.832 -5.048 -33.776 1.00 0.00 H new ATOM 0 HA HIS A 53 27.484 -5.835 -35.358 1.00 0.00 H new ATOM 0 HB2 HIS A 53 30.056 -6.090 -36.816 1.00 0.00 H new ATOM 0 HB3 HIS A 53 28.443 -5.792 -37.432 1.00 0.00 H new ATOM 0 HD1 HIS A 53 28.014 -3.464 -38.260 1.00 0.00 H new ATOM 0 HD2 HIS A 53 31.123 -3.573 -35.432 1.00 0.00 H new ATOM 0 HE1 HIS A 53 28.994 -1.108 -38.105 1.00 0.00 H new ATOM 771 N GLY A 54 29.440 -7.320 -33.625 1.00 0.00 N ATOM 772 CA GLY A 54 29.995 -8.606 -33.206 1.00 0.00 C ATOM 773 C GLY A 54 31.201 -8.868 -34.081 1.00 0.00 C ATOM 774 O GLY A 54 31.957 -7.977 -34.405 1.00 0.00 O ATOM 0 H GLY A 54 29.351 -6.611 -32.897 1.00 0.00 H new ATOM 0 HA2 GLY A 54 30.279 -8.580 -32.154 1.00 0.00 H new ATOM 0 HA3 GLY A 54 29.257 -9.400 -33.317 1.00 0.00 H new ATOM 778 N LYS A 55 31.348 -10.081 -34.463 1.00 0.00 N ATOM 779 CA LYS A 55 32.479 -10.506 -35.338 1.00 0.00 C ATOM 780 C LYS A 55 32.758 -11.981 -35.074 1.00 0.00 C ATOM 781 O LYS A 55 32.809 -12.415 -33.943 1.00 0.00 O ATOM 782 CB LYS A 55 33.731 -9.682 -35.033 1.00 0.00 C ATOM 783 CG LYS A 55 34.046 -8.728 -36.205 1.00 0.00 C ATOM 784 CD LYS A 55 32.762 -8.167 -36.845 1.00 0.00 C ATOM 785 CE LYS A 55 32.729 -8.544 -38.328 1.00 0.00 C ATOM 786 NZ LYS A 55 31.416 -9.172 -38.650 1.00 0.00 N ATOM 0 H LYS A 55 30.714 -10.837 -34.203 1.00 0.00 H new ATOM 0 HA LYS A 55 32.214 -10.349 -36.383 1.00 0.00 H new ATOM 0 HB2 LYS A 55 33.582 -9.108 -34.118 1.00 0.00 H new ATOM 0 HB3 LYS A 55 34.578 -10.346 -34.859 1.00 0.00 H new ATOM 0 HG2 LYS A 55 34.664 -7.904 -35.848 1.00 0.00 H new ATOM 0 HG3 LYS A 55 34.627 -9.258 -36.960 1.00 0.00 H new ATOM 0 HD2 LYS A 55 31.884 -8.566 -36.337 1.00 0.00 H new ATOM 0 HD3 LYS A 55 32.730 -7.083 -36.733 1.00 0.00 H new ATOM 0 HE2 LYS A 55 32.881 -7.657 -38.943 1.00 0.00 H new ATOM 0 HE3 LYS A 55 33.541 -9.234 -38.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 31.225 -9.075 -39.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 31.442 -10.180 -38.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 30.663 -8.699 -38.110 1.00 0.00 H new ATOM 800 N ASN A 56 32.918 -12.759 -36.105 1.00 0.00 N ATOM 801 CA ASN A 56 33.169 -14.210 -35.902 1.00 0.00 C ATOM 802 C ASN A 56 31.970 -14.810 -35.161 1.00 0.00 C ATOM 803 O ASN A 56 31.022 -15.271 -35.763 1.00 0.00 O ATOM 804 CB ASN A 56 34.438 -14.403 -35.071 1.00 0.00 C ATOM 805 CG ASN A 56 35.661 -14.050 -35.919 1.00 0.00 C ATOM 806 OD1 ASN A 56 36.373 -14.926 -36.371 1.00 0.00 O ATOM 807 ND2 ASN A 56 35.939 -12.797 -36.155 1.00 0.00 N ATOM 0 H ASN A 56 32.886 -12.454 -37.078 1.00 0.00 H new ATOM 0 HA ASN A 56 33.300 -14.705 -36.864 1.00 0.00 H new ATOM 0 HB2 ASN A 56 34.403 -13.772 -34.183 1.00 0.00 H new ATOM 0 HB3 ASN A 56 34.507 -15.435 -34.726 1.00 0.00 H new ATOM 0 HD21 ASN A 56 36.753 -12.553 -36.719 1.00 0.00 H new ATOM 0 HD22 ASN A 56 35.342 -12.062 -35.776 1.00 0.00 H new ATOM 814 N ALA A 57 32.004 -14.793 -33.855 1.00 0.00 N ATOM 815 CA ALA A 57 30.866 -15.344 -33.064 1.00 0.00 C ATOM 816 C ALA A 57 30.439 -14.303 -32.021 1.00 0.00 C ATOM 817 O ALA A 57 30.203 -14.619 -30.872 1.00 0.00 O ATOM 818 CB ALA A 57 31.313 -16.626 -32.359 1.00 0.00 C ATOM 0 H ALA A 57 32.774 -14.420 -33.300 1.00 0.00 H new ATOM 0 HA ALA A 57 30.028 -15.571 -33.723 1.00 0.00 H new ATOM 0 HB1 ALA A 57 30.483 -17.031 -31.780 1.00 0.00 H new ATOM 0 HB2 ALA A 57 31.629 -17.359 -33.102 1.00 0.00 H new ATOM 0 HB3 ALA A 57 32.146 -16.403 -31.692 1.00 0.00 H new ATOM 824 N MET A 58 30.360 -13.060 -32.417 1.00 0.00 N ATOM 825 CA MET A 58 29.975 -11.978 -31.460 1.00 0.00 C ATOM 826 C MET A 58 28.662 -11.318 -31.930 1.00 0.00 C ATOM 827 O MET A 58 28.399 -11.241 -33.115 1.00 0.00 O ATOM 828 CB MET A 58 31.122 -10.968 -31.425 1.00 0.00 C ATOM 829 CG MET A 58 30.928 -9.961 -30.303 1.00 0.00 C ATOM 830 SD MET A 58 32.378 -8.884 -30.225 1.00 0.00 S ATOM 831 CE MET A 58 31.563 -7.474 -29.455 1.00 0.00 C ATOM 0 H MET A 58 30.547 -12.745 -33.369 1.00 0.00 H new ATOM 0 HA MET A 58 29.805 -12.374 -30.459 1.00 0.00 H new ATOM 0 HB2 MET A 58 32.068 -11.492 -31.289 1.00 0.00 H new ATOM 0 HB3 MET A 58 31.181 -10.446 -32.380 1.00 0.00 H new ATOM 0 HG2 MET A 58 30.029 -9.370 -30.478 1.00 0.00 H new ATOM 0 HG3 MET A 58 30.790 -10.477 -29.353 1.00 0.00 H new ATOM 0 HE1 MET A 58 32.212 -6.600 -29.518 1.00 0.00 H new ATOM 0 HE2 MET A 58 30.626 -7.268 -29.972 1.00 0.00 H new ATOM 0 HE3 MET A 58 31.358 -7.699 -28.408 1.00 0.00 H new ATOM 841 N PRO A 59 27.853 -10.906 -30.976 1.00 0.00 N ATOM 842 CA PRO A 59 26.526 -10.296 -31.238 1.00 0.00 C ATOM 843 C PRO A 59 26.570 -8.798 -31.592 1.00 0.00 C ATOM 844 O PRO A 59 26.660 -7.953 -30.723 1.00 0.00 O ATOM 845 CB PRO A 59 25.793 -10.477 -29.908 1.00 0.00 C ATOM 846 CG PRO A 59 26.878 -10.642 -28.821 1.00 0.00 C ATOM 847 CD PRO A 59 28.179 -11.027 -29.539 1.00 0.00 C ATOM 0 HA PRO A 59 26.056 -10.765 -32.102 1.00 0.00 H new ATOM 0 HB2 PRO A 59 25.160 -9.616 -29.695 1.00 0.00 H new ATOM 0 HB3 PRO A 59 25.142 -11.351 -29.941 1.00 0.00 H new ATOM 0 HG2 PRO A 59 27.006 -9.716 -28.261 1.00 0.00 H new ATOM 0 HG3 PRO A 59 26.591 -11.411 -28.104 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.998 -10.365 -29.260 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.488 -12.041 -29.285 1.00 0.00 H new ATOM 855 N ALA A 60 26.451 -8.466 -32.855 1.00 0.00 N ATOM 856 CA ALA A 60 26.420 -7.038 -33.269 1.00 0.00 C ATOM 857 C ALA A 60 25.624 -6.202 -32.260 1.00 0.00 C ATOM 858 O ALA A 60 24.768 -6.701 -31.556 1.00 0.00 O ATOM 859 CB ALA A 60 25.720 -6.952 -34.626 1.00 0.00 C ATOM 0 H ALA A 60 26.374 -9.135 -33.621 1.00 0.00 H new ATOM 0 HA ALA A 60 27.439 -6.656 -33.321 1.00 0.00 H new ATOM 0 HB1 ALA A 60 25.685 -5.912 -34.952 1.00 0.00 H new ATOM 0 HB2 ALA A 60 26.271 -7.543 -35.358 1.00 0.00 H new ATOM 0 HB3 ALA A 60 24.705 -7.339 -34.537 1.00 0.00 H new ATOM 865 N PHE A 61 25.894 -4.926 -32.208 1.00 0.00 N ATOM 866 CA PHE A 61 25.166 -4.030 -31.285 1.00 0.00 C ATOM 867 C PHE A 61 24.810 -2.732 -32.011 1.00 0.00 C ATOM 868 O PHE A 61 24.271 -1.811 -31.429 1.00 0.00 O ATOM 869 CB PHE A 61 26.044 -3.702 -30.083 1.00 0.00 C ATOM 870 CG PHE A 61 26.118 -4.899 -29.176 1.00 0.00 C ATOM 871 CD1 PHE A 61 24.950 -5.413 -28.612 1.00 0.00 C ATOM 872 CD2 PHE A 61 27.353 -5.487 -28.888 1.00 0.00 C ATOM 873 CE1 PHE A 61 25.013 -6.516 -27.754 1.00 0.00 C ATOM 874 CE2 PHE A 61 27.418 -6.588 -28.038 1.00 0.00 C ATOM 875 CZ PHE A 61 26.250 -7.103 -27.469 1.00 0.00 C ATOM 0 H PHE A 61 26.602 -4.465 -32.779 1.00 0.00 H new ATOM 0 HA PHE A 61 24.257 -4.528 -30.947 1.00 0.00 H new ATOM 0 HB2 PHE A 61 27.044 -3.421 -30.415 1.00 0.00 H new ATOM 0 HB3 PHE A 61 25.636 -2.848 -29.543 1.00 0.00 H new ATOM 0 HD1 PHE A 61 23.997 -4.959 -28.838 1.00 0.00 H new ATOM 0 HD2 PHE A 61 28.256 -5.088 -29.325 1.00 0.00 H new ATOM 0 HE1 PHE A 61 24.110 -6.913 -27.314 1.00 0.00 H new ATOM 0 HE2 PHE A 61 28.372 -7.044 -27.818 1.00 0.00 H new ATOM 0 HZ PHE A 61 26.303 -7.956 -26.808 1.00 0.00 H new ATOM 885 N ALA A 62 25.113 -2.647 -33.280 1.00 0.00 N ATOM 886 CA ALA A 62 24.799 -1.411 -34.040 1.00 0.00 C ATOM 887 C ALA A 62 23.399 -0.932 -33.674 1.00 0.00 C ATOM 888 O ALA A 62 23.094 0.241 -33.770 1.00 0.00 O ATOM 889 CB ALA A 62 24.864 -1.702 -35.541 1.00 0.00 C ATOM 0 H ALA A 62 25.565 -3.385 -33.820 1.00 0.00 H new ATOM 0 HA ALA A 62 25.525 -0.637 -33.790 1.00 0.00 H new ATOM 0 HB1 ALA A 62 24.633 -0.794 -36.098 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.866 -2.043 -35.802 1.00 0.00 H new ATOM 0 HB3 ALA A 62 24.139 -2.476 -35.793 1.00 0.00 H new ATOM 895 N GLY A 63 22.541 -1.819 -33.247 1.00 0.00 N ATOM 896 CA GLY A 63 21.170 -1.386 -32.875 1.00 0.00 C ATOM 897 C GLY A 63 20.508 -2.463 -32.030 1.00 0.00 C ATOM 898 O GLY A 63 19.310 -2.665 -32.078 1.00 0.00 O ATOM 0 H GLY A 63 22.731 -2.816 -33.141 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.211 -0.448 -32.321 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.580 -1.200 -33.773 1.00 0.00 H new ATOM 902 N ARG A 64 21.280 -3.141 -31.241 1.00 0.00 N ATOM 903 CA ARG A 64 20.715 -4.192 -30.367 1.00 0.00 C ATOM 904 C ARG A 64 20.642 -3.577 -28.987 1.00 0.00 C ATOM 905 O ARG A 64 19.636 -3.622 -28.305 1.00 0.00 O ATOM 906 CB ARG A 64 21.661 -5.384 -30.356 1.00 0.00 C ATOM 907 CG ARG A 64 20.880 -6.670 -30.113 1.00 0.00 C ATOM 908 CD ARG A 64 21.875 -7.755 -29.721 1.00 0.00 C ATOM 909 NE ARG A 64 21.271 -9.099 -29.931 1.00 0.00 N ATOM 910 CZ ARG A 64 20.640 -9.367 -31.041 1.00 0.00 C ATOM 911 NH1 ARG A 64 21.196 -9.093 -32.189 1.00 0.00 N ATOM 912 NH2 ARG A 64 19.455 -9.914 -31.004 1.00 0.00 N ATOM 0 H ARG A 64 22.289 -3.011 -31.163 1.00 0.00 H new ATOM 0 HA ARG A 64 19.736 -4.534 -30.704 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.192 -5.446 -31.306 1.00 0.00 H new ATOM 0 HB3 ARG A 64 22.414 -5.254 -29.578 1.00 0.00 H new ATOM 0 HG2 ARG A 64 20.143 -6.525 -29.323 1.00 0.00 H new ATOM 0 HG3 ARG A 64 20.333 -6.960 -31.010 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.784 -7.659 -30.315 1.00 0.00 H new ATOM 0 HD3 ARG A 64 22.163 -7.636 -28.677 1.00 0.00 H new ATOM 0 HE ARG A 64 21.351 -9.812 -29.206 1.00 0.00 H new ATOM 0 HH11 ARG A 64 22.123 -8.670 -32.218 1.00 0.00 H new ATOM 0 HH12 ARG A 64 20.703 -9.302 -33.057 1.00 0.00 H new ATOM 0 HH21 ARG A 64 19.022 -10.132 -30.107 1.00 0.00 H new ATOM 0 HH22 ARG A 64 18.962 -10.123 -31.872 1.00 0.00 H new ATOM 926 N LEU A 65 21.715 -2.949 -28.609 1.00 0.00 N ATOM 927 CA LEU A 65 21.765 -2.252 -27.308 1.00 0.00 C ATOM 928 C LEU A 65 21.618 -0.756 -27.588 1.00 0.00 C ATOM 929 O LEU A 65 20.929 -0.349 -28.502 1.00 0.00 O ATOM 930 CB LEU A 65 23.102 -2.546 -26.623 1.00 0.00 C ATOM 931 CG LEU A 65 23.232 -4.053 -26.388 1.00 0.00 C ATOM 932 CD1 LEU A 65 24.654 -4.373 -25.926 1.00 0.00 C ATOM 933 CD2 LEU A 65 22.236 -4.488 -25.311 1.00 0.00 C ATOM 0 H LEU A 65 22.572 -2.891 -29.159 1.00 0.00 H new ATOM 0 HA LEU A 65 20.967 -2.589 -26.646 1.00 0.00 H new ATOM 0 HB2 LEU A 65 23.926 -2.191 -27.242 1.00 0.00 H new ATOM 0 HB3 LEU A 65 23.162 -2.012 -25.675 1.00 0.00 H new ATOM 0 HG LEU A 65 23.021 -4.587 -27.315 1.00 0.00 H new ATOM 0 HD11 LEU A 65 24.749 -5.446 -25.758 1.00 0.00 H new ATOM 0 HD12 LEU A 65 25.364 -4.061 -26.692 1.00 0.00 H new ATOM 0 HD13 LEU A 65 24.864 -3.840 -24.998 1.00 0.00 H new ATOM 0 HD21 LEU A 65 22.328 -5.561 -25.143 1.00 0.00 H new ATOM 0 HD22 LEU A 65 22.448 -3.956 -24.384 1.00 0.00 H new ATOM 0 HD23 LEU A 65 21.222 -4.257 -25.638 1.00 0.00 H new ATOM 945 N THR A 66 22.264 0.055 -26.822 1.00 0.00 N ATOM 946 CA THR A 66 22.179 1.526 -27.037 1.00 0.00 C ATOM 947 C THR A 66 23.405 1.996 -27.826 1.00 0.00 C ATOM 948 O THR A 66 24.362 1.271 -27.979 1.00 0.00 O ATOM 949 CB THR A 66 22.133 2.244 -25.687 1.00 0.00 C ATOM 950 OG1 THR A 66 21.196 1.594 -24.840 1.00 0.00 O ATOM 951 CG2 THR A 66 21.708 3.690 -25.912 1.00 0.00 C ATOM 0 H THR A 66 22.857 -0.233 -26.044 1.00 0.00 H new ATOM 0 HA THR A 66 21.273 1.758 -27.597 1.00 0.00 H new ATOM 0 HB THR A 66 23.116 2.220 -25.217 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.166 2.051 -23.974 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.672 4.212 -24.956 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.426 4.183 -26.567 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.721 3.711 -26.375 1.00 0.00 H new ATOM 959 N ASP A 67 23.384 3.205 -28.325 1.00 0.00 N ATOM 960 CA ASP A 67 24.545 3.714 -29.101 1.00 0.00 C ATOM 961 C ASP A 67 25.605 4.233 -28.133 1.00 0.00 C ATOM 962 O ASP A 67 26.762 3.872 -28.205 1.00 0.00 O ATOM 963 CB ASP A 67 24.091 4.845 -30.026 1.00 0.00 C ATOM 964 CG ASP A 67 22.889 4.377 -30.850 1.00 0.00 C ATOM 965 OD1 ASP A 67 22.664 3.179 -30.905 1.00 0.00 O ATOM 966 OD2 ASP A 67 22.215 5.224 -31.413 1.00 0.00 O ATOM 0 H ASP A 67 22.609 3.861 -28.226 1.00 0.00 H new ATOM 0 HA ASP A 67 24.964 2.909 -29.704 1.00 0.00 H new ATOM 0 HB2 ASP A 67 23.824 5.724 -29.440 1.00 0.00 H new ATOM 0 HB3 ASP A 67 24.907 5.139 -30.687 1.00 0.00 H new ATOM 971 N GLU A 68 25.202 5.059 -27.206 1.00 0.00 N ATOM 972 CA GLU A 68 26.162 5.595 -26.197 1.00 0.00 C ATOM 973 C GLU A 68 26.683 4.442 -25.332 1.00 0.00 C ATOM 974 O GLU A 68 27.554 4.614 -24.511 1.00 0.00 O ATOM 975 CB GLU A 68 25.423 6.588 -25.303 1.00 0.00 C ATOM 976 CG GLU A 68 26.375 7.123 -24.233 1.00 0.00 C ATOM 977 CD GLU A 68 26.073 8.601 -23.973 1.00 0.00 C ATOM 978 OE1 GLU A 68 26.443 9.417 -24.802 1.00 0.00 O ATOM 979 OE2 GLU A 68 25.475 8.892 -22.950 1.00 0.00 O ATOM 0 H GLU A 68 24.242 5.388 -27.103 1.00 0.00 H new ATOM 0 HA GLU A 68 26.997 6.084 -26.699 1.00 0.00 H new ATOM 0 HB2 GLU A 68 25.033 7.411 -25.902 1.00 0.00 H new ATOM 0 HB3 GLU A 68 24.568 6.103 -24.833 1.00 0.00 H new ATOM 0 HG2 GLU A 68 26.263 6.551 -23.312 1.00 0.00 H new ATOM 0 HG3 GLU A 68 27.408 7.004 -24.558 1.00 0.00 H new ATOM 986 N GLN A 69 26.128 3.277 -25.511 1.00 0.00 N ATOM 987 CA GLN A 69 26.534 2.076 -24.727 1.00 0.00 C ATOM 988 C GLN A 69 27.551 1.298 -25.560 1.00 0.00 C ATOM 989 O GLN A 69 28.500 0.774 -25.042 1.00 0.00 O ATOM 990 CB GLN A 69 25.285 1.236 -24.485 1.00 0.00 C ATOM 991 CG GLN A 69 24.480 1.777 -23.291 1.00 0.00 C ATOM 992 CD GLN A 69 24.264 3.265 -23.466 1.00 0.00 C ATOM 993 OE1 GLN A 69 23.192 3.709 -23.821 1.00 0.00 O ATOM 994 NE2 GLN A 69 25.244 4.062 -23.204 1.00 0.00 N ATOM 0 H GLN A 69 25.387 3.102 -26.189 1.00 0.00 H new ATOM 0 HA GLN A 69 26.981 2.343 -23.769 1.00 0.00 H new ATOM 0 HB2 GLN A 69 24.662 1.238 -25.379 1.00 0.00 H new ATOM 0 HB3 GLN A 69 25.569 0.201 -24.297 1.00 0.00 H new ATOM 0 HG2 GLN A 69 23.521 1.264 -23.222 1.00 0.00 H new ATOM 0 HG3 GLN A 69 25.013 1.582 -22.360 1.00 0.00 H new ATOM 0 HE21 GLN A 69 26.143 3.684 -22.906 1.00 0.00 H new ATOM 0 HE22 GLN A 69 25.120 5.070 -23.295 1.00 0.00 H new ATOM 1003 N ILE A 70 27.400 1.265 -26.858 1.00 0.00 N ATOM 1004 CA ILE A 70 28.434 0.572 -27.679 1.00 0.00 C ATOM 1005 C ILE A 70 29.671 1.468 -27.656 1.00 0.00 C ATOM 1006 O ILE A 70 30.752 1.092 -28.062 1.00 0.00 O ATOM 1007 CB ILE A 70 27.961 0.405 -29.129 1.00 0.00 C ATOM 1008 CG1 ILE A 70 26.616 -0.329 -29.183 1.00 0.00 C ATOM 1009 CG2 ILE A 70 29.000 -0.400 -29.909 1.00 0.00 C ATOM 1010 CD1 ILE A 70 26.510 -1.343 -28.037 1.00 0.00 C ATOM 0 H ILE A 70 26.624 1.678 -27.375 1.00 0.00 H new ATOM 0 HA ILE A 70 28.636 -0.422 -27.279 1.00 0.00 H new ATOM 0 HB ILE A 70 27.839 1.394 -29.570 1.00 0.00 H new ATOM 0 HG12 ILE A 70 25.800 0.390 -29.116 1.00 0.00 H new ATOM 0 HG13 ILE A 70 26.513 -0.841 -30.140 1.00 0.00 H new ATOM 0 HG21 ILE A 70 28.668 -0.521 -30.940 1.00 0.00 H new ATOM 0 HG22 ILE A 70 29.954 0.127 -29.895 1.00 0.00 H new ATOM 0 HG23 ILE A 70 29.120 -1.381 -29.449 1.00 0.00 H new ATOM 0 HD11 ILE A 70 25.549 -1.854 -28.091 1.00 0.00 H new ATOM 0 HD12 ILE A 70 27.315 -2.073 -28.122 1.00 0.00 H new ATOM 0 HD13 ILE A 70 26.591 -0.823 -27.082 1.00 0.00 H new ATOM 1022 N GLN A 71 29.488 2.668 -27.172 1.00 0.00 N ATOM 1023 CA GLN A 71 30.577 3.650 -27.081 1.00 0.00 C ATOM 1024 C GLN A 71 31.163 3.596 -25.681 1.00 0.00 C ATOM 1025 O GLN A 71 32.284 3.199 -25.465 1.00 0.00 O ATOM 1026 CB GLN A 71 29.956 5.023 -27.300 1.00 0.00 C ATOM 1027 CG GLN A 71 30.034 5.392 -28.780 1.00 0.00 C ATOM 1028 CD GLN A 71 31.130 6.436 -28.980 1.00 0.00 C ATOM 1029 OE1 GLN A 71 32.151 6.156 -29.576 1.00 0.00 O ATOM 1030 NE2 GLN A 71 30.962 7.635 -28.500 1.00 0.00 N ATOM 0 H GLN A 71 28.590 3.007 -26.827 1.00 0.00 H new ATOM 0 HA GLN A 71 31.358 3.448 -27.814 1.00 0.00 H new ATOM 0 HB2 GLN A 71 28.917 5.020 -26.970 1.00 0.00 H new ATOM 0 HB3 GLN A 71 30.478 5.769 -26.701 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.246 4.505 -29.377 1.00 0.00 H new ATOM 0 HG3 GLN A 71 29.075 5.784 -29.120 1.00 0.00 H new ATOM 0 HE21 GLN A 71 30.104 7.869 -28.000 1.00 0.00 H new ATOM 0 HE22 GLN A 71 31.688 8.340 -28.624 1.00 0.00 H new ATOM 1039 N ASP A 72 30.375 3.997 -24.739 1.00 0.00 N ATOM 1040 CA ASP A 72 30.775 3.999 -23.330 1.00 0.00 C ATOM 1041 C ASP A 72 31.274 2.611 -22.944 1.00 0.00 C ATOM 1042 O ASP A 72 32.201 2.490 -22.192 1.00 0.00 O ATOM 1043 CB ASP A 72 29.538 4.347 -22.515 1.00 0.00 C ATOM 1044 CG ASP A 72 29.332 5.862 -22.527 1.00 0.00 C ATOM 1045 OD1 ASP A 72 30.315 6.572 -22.666 1.00 0.00 O ATOM 1046 OD2 ASP A 72 28.196 6.288 -22.395 1.00 0.00 O ATOM 0 H ASP A 72 29.428 4.338 -24.903 1.00 0.00 H new ATOM 0 HA ASP A 72 31.574 4.718 -23.148 1.00 0.00 H new ATOM 0 HB2 ASP A 72 28.663 3.847 -22.930 1.00 0.00 H new ATOM 0 HB3 ASP A 72 29.652 3.992 -21.491 1.00 0.00 H new ATOM 1051 N VAL A 73 30.650 1.574 -23.456 1.00 0.00 N ATOM 1052 CA VAL A 73 31.069 0.177 -23.127 1.00 0.00 C ATOM 1053 C VAL A 73 32.454 -0.102 -23.739 1.00 0.00 C ATOM 1054 O VAL A 73 33.232 -0.883 -23.224 1.00 0.00 O ATOM 1055 CB VAL A 73 30.050 -0.822 -23.693 1.00 0.00 C ATOM 1056 CG1 VAL A 73 30.277 -1.013 -25.197 1.00 0.00 C ATOM 1057 CG2 VAL A 73 30.215 -2.167 -22.989 1.00 0.00 C ATOM 0 H VAL A 73 29.858 1.640 -24.096 1.00 0.00 H new ATOM 0 HA VAL A 73 31.118 0.065 -22.044 1.00 0.00 H new ATOM 0 HB VAL A 73 29.045 -0.434 -23.528 1.00 0.00 H new ATOM 0 HG11 VAL A 73 29.549 -1.724 -25.588 1.00 0.00 H new ATOM 0 HG12 VAL A 73 30.160 -0.057 -25.707 1.00 0.00 H new ATOM 0 HG13 VAL A 73 31.284 -1.395 -25.367 1.00 0.00 H new ATOM 0 HG21 VAL A 73 29.492 -2.878 -23.389 1.00 0.00 H new ATOM 0 HG22 VAL A 73 31.224 -2.543 -23.155 1.00 0.00 H new ATOM 0 HG23 VAL A 73 30.046 -2.041 -21.920 1.00 0.00 H new ATOM 1067 N ALA A 74 32.782 0.537 -24.825 1.00 0.00 N ATOM 1068 CA ALA A 74 34.126 0.318 -25.420 1.00 0.00 C ATOM 1069 C ALA A 74 35.107 1.068 -24.534 1.00 0.00 C ATOM 1070 O ALA A 74 35.981 0.494 -23.914 1.00 0.00 O ATOM 1071 CB ALA A 74 34.168 0.877 -26.839 1.00 0.00 C ATOM 0 H ALA A 74 32.183 1.196 -25.322 1.00 0.00 H new ATOM 0 HA ALA A 74 34.370 -0.743 -25.476 1.00 0.00 H new ATOM 0 HB1 ALA A 74 35.157 0.712 -27.266 1.00 0.00 H new ATOM 0 HB2 ALA A 74 33.420 0.373 -27.451 1.00 0.00 H new ATOM 0 HB3 ALA A 74 33.957 1.946 -26.815 1.00 0.00 H new ATOM 1077 N ALA A 75 34.914 2.350 -24.414 1.00 0.00 N ATOM 1078 CA ALA A 75 35.765 3.143 -23.505 1.00 0.00 C ATOM 1079 C ALA A 75 35.593 2.528 -22.115 1.00 0.00 C ATOM 1080 O ALA A 75 36.425 2.666 -21.241 1.00 0.00 O ATOM 1081 CB ALA A 75 35.268 4.594 -23.495 1.00 0.00 C ATOM 0 H ALA A 75 34.198 2.880 -24.911 1.00 0.00 H new ATOM 0 HA ALA A 75 36.810 3.136 -23.814 1.00 0.00 H new ATOM 0 HB1 ALA A 75 35.891 5.187 -22.826 1.00 0.00 H new ATOM 0 HB2 ALA A 75 35.324 5.005 -24.503 1.00 0.00 H new ATOM 0 HB3 ALA A 75 34.235 4.622 -23.149 1.00 0.00 H new ATOM 1087 N TYR A 76 34.504 1.819 -21.933 1.00 0.00 N ATOM 1088 CA TYR A 76 34.223 1.153 -20.636 1.00 0.00 C ATOM 1089 C TYR A 76 35.265 0.066 -20.429 1.00 0.00 C ATOM 1090 O TYR A 76 35.793 -0.105 -19.353 1.00 0.00 O ATOM 1091 CB TYR A 76 32.829 0.503 -20.680 1.00 0.00 C ATOM 1092 CG TYR A 76 32.590 -0.256 -19.421 1.00 0.00 C ATOM 1093 CD1 TYR A 76 32.227 0.410 -18.284 1.00 0.00 C ATOM 1094 CD2 TYR A 76 32.734 -1.627 -19.406 1.00 0.00 C ATOM 1095 CE1 TYR A 76 32.004 -0.281 -17.108 1.00 0.00 C ATOM 1096 CE2 TYR A 76 32.507 -2.341 -18.225 1.00 0.00 C ATOM 1097 CZ TYR A 76 32.142 -1.664 -17.071 1.00 0.00 C ATOM 1098 OH TYR A 76 31.921 -2.356 -15.898 1.00 0.00 O ATOM 0 H TYR A 76 33.789 1.676 -22.646 1.00 0.00 H new ATOM 0 HA TYR A 76 34.256 1.882 -19.826 1.00 0.00 H new ATOM 0 HB2 TYR A 76 32.064 1.269 -20.805 1.00 0.00 H new ATOM 0 HB3 TYR A 76 32.755 -0.165 -21.538 1.00 0.00 H new ATOM 0 HD1 TYR A 76 32.114 1.484 -18.305 1.00 0.00 H new ATOM 0 HD2 TYR A 76 33.022 -2.150 -20.306 1.00 0.00 H new ATOM 0 HE1 TYR A 76 31.721 0.255 -16.214 1.00 0.00 H new ATOM 0 HE2 TYR A 76 32.616 -3.415 -18.212 1.00 0.00 H new ATOM 0 HH TYR A 76 32.061 -3.314 -16.052 1.00 0.00 H new ATOM 1108 N VAL A 77 35.567 -0.667 -21.461 1.00 0.00 N ATOM 1109 CA VAL A 77 36.583 -1.736 -21.328 1.00 0.00 C ATOM 1110 C VAL A 77 37.951 -1.087 -21.159 1.00 0.00 C ATOM 1111 O VAL A 77 38.869 -1.673 -20.620 1.00 0.00 O ATOM 1112 CB VAL A 77 36.584 -2.617 -22.577 1.00 0.00 C ATOM 1113 CG1 VAL A 77 37.814 -3.523 -22.554 1.00 0.00 C ATOM 1114 CG2 VAL A 77 35.317 -3.474 -22.603 1.00 0.00 C ATOM 0 H VAL A 77 35.153 -0.570 -22.388 1.00 0.00 H new ATOM 0 HA VAL A 77 36.352 -2.357 -20.463 1.00 0.00 H new ATOM 0 HB VAL A 77 36.610 -1.988 -23.467 1.00 0.00 H new ATOM 0 HG11 VAL A 77 37.818 -4.153 -23.443 1.00 0.00 H new ATOM 0 HG12 VAL A 77 38.716 -2.911 -22.538 1.00 0.00 H new ATOM 0 HG13 VAL A 77 37.786 -4.152 -21.664 1.00 0.00 H new ATOM 0 HG21 VAL A 77 35.320 -4.101 -23.494 1.00 0.00 H new ATOM 0 HG22 VAL A 77 35.287 -4.106 -21.715 1.00 0.00 H new ATOM 0 HG23 VAL A 77 34.440 -2.827 -22.618 1.00 0.00 H new ATOM 1124 N LEU A 78 38.093 0.131 -21.600 1.00 0.00 N ATOM 1125 CA LEU A 78 39.396 0.819 -21.442 1.00 0.00 C ATOM 1126 C LEU A 78 39.479 1.374 -20.019 1.00 0.00 C ATOM 1127 O LEU A 78 40.502 1.874 -19.592 1.00 0.00 O ATOM 1128 CB LEU A 78 39.503 1.965 -22.459 1.00 0.00 C ATOM 1129 CG LEU A 78 38.997 1.514 -23.843 1.00 0.00 C ATOM 1130 CD1 LEU A 78 39.693 2.344 -24.925 1.00 0.00 C ATOM 1131 CD2 LEU A 78 39.297 0.030 -24.074 1.00 0.00 C ATOM 0 H LEU A 78 37.364 0.675 -22.061 1.00 0.00 H new ATOM 0 HA LEU A 78 40.214 0.121 -21.617 1.00 0.00 H new ATOM 0 HB2 LEU A 78 38.921 2.819 -22.114 1.00 0.00 H new ATOM 0 HB3 LEU A 78 40.539 2.295 -22.535 1.00 0.00 H new ATOM 0 HG LEU A 78 37.918 1.662 -23.888 1.00 0.00 H new ATOM 0 HD11 LEU A 78 39.340 2.030 -25.907 1.00 0.00 H new ATOM 0 HD12 LEU A 78 39.465 3.399 -24.777 1.00 0.00 H new ATOM 0 HD13 LEU A 78 40.771 2.194 -24.862 1.00 0.00 H new ATOM 0 HD21 LEU A 78 38.931 -0.266 -25.057 1.00 0.00 H new ATOM 0 HD22 LEU A 78 40.373 -0.136 -24.022 1.00 0.00 H new ATOM 0 HD23 LEU A 78 38.801 -0.565 -23.307 1.00 0.00 H new ATOM 1143 N ASP A 79 38.398 1.300 -19.284 1.00 0.00 N ATOM 1144 CA ASP A 79 38.379 1.821 -17.908 1.00 0.00 C ATOM 1145 C ASP A 79 38.565 0.660 -16.936 1.00 0.00 C ATOM 1146 O ASP A 79 39.346 0.715 -16.008 1.00 0.00 O ATOM 1147 CB ASP A 79 37.012 2.457 -17.662 1.00 0.00 C ATOM 1148 CG ASP A 79 37.157 3.631 -16.693 1.00 0.00 C ATOM 1149 OD1 ASP A 79 38.033 3.571 -15.847 1.00 0.00 O ATOM 1150 OD2 ASP A 79 36.387 4.570 -16.812 1.00 0.00 O ATOM 0 H ASP A 79 37.518 0.891 -19.597 1.00 0.00 H new ATOM 0 HA ASP A 79 39.174 2.552 -17.765 1.00 0.00 H new ATOM 0 HB2 ASP A 79 36.585 2.801 -18.604 1.00 0.00 H new ATOM 0 HB3 ASP A 79 36.324 1.717 -17.252 1.00 0.00 H new ATOM 1155 N GLN A 80 37.823 -0.386 -17.157 1.00 0.00 N ATOM 1156 CA GLN A 80 37.887 -1.577 -16.281 1.00 0.00 C ATOM 1157 C GLN A 80 39.220 -2.307 -16.453 1.00 0.00 C ATOM 1158 O GLN A 80 39.795 -2.791 -15.499 1.00 0.00 O ATOM 1159 CB GLN A 80 36.760 -2.512 -16.684 1.00 0.00 C ATOM 1160 CG GLN A 80 35.429 -1.764 -16.651 1.00 0.00 C ATOM 1161 CD GLN A 80 34.979 -1.587 -15.201 1.00 0.00 C ATOM 1162 OE1 GLN A 80 35.233 -2.433 -14.366 1.00 0.00 O ATOM 1163 NE2 GLN A 80 34.318 -0.513 -14.864 1.00 0.00 N ATOM 0 H GLN A 80 37.160 -0.463 -17.928 1.00 0.00 H new ATOM 0 HA GLN A 80 37.794 -1.268 -15.240 1.00 0.00 H new ATOM 0 HB2 GLN A 80 36.942 -2.905 -17.684 1.00 0.00 H new ATOM 0 HB3 GLN A 80 36.724 -3.366 -16.007 1.00 0.00 H new ATOM 0 HG2 GLN A 80 35.534 -0.791 -17.131 1.00 0.00 H new ATOM 0 HG3 GLN A 80 34.675 -2.317 -17.212 1.00 0.00 H new ATOM 0 HE21 GLN A 80 34.105 0.196 -15.566 1.00 0.00 H new ATOM 0 HE22 GLN A 80 34.014 -0.383 -13.899 1.00 0.00 H new ATOM 1172 N ALA A 81 39.707 -2.408 -17.657 1.00 0.00 N ATOM 1173 CA ALA A 81 40.993 -3.124 -17.877 1.00 0.00 C ATOM 1174 C ALA A 81 42.095 -2.431 -17.082 1.00 0.00 C ATOM 1175 O ALA A 81 42.898 -3.064 -16.424 1.00 0.00 O ATOM 1176 CB ALA A 81 41.344 -3.096 -19.365 1.00 0.00 C ATOM 0 H ALA A 81 39.271 -2.027 -18.497 1.00 0.00 H new ATOM 0 HA ALA A 81 40.898 -4.159 -17.547 1.00 0.00 H new ATOM 0 HB1 ALA A 81 42.286 -3.620 -19.527 1.00 0.00 H new ATOM 0 HB2 ALA A 81 40.554 -3.585 -19.934 1.00 0.00 H new ATOM 0 HB3 ALA A 81 41.443 -2.062 -19.696 1.00 0.00 H new ATOM 1182 N ALA A 82 42.147 -1.133 -17.152 1.00 0.00 N ATOM 1183 CA ALA A 82 43.199 -0.390 -16.424 1.00 0.00 C ATOM 1184 C ALA A 82 42.730 -0.041 -15.008 1.00 0.00 C ATOM 1185 O ALA A 82 43.329 0.779 -14.342 1.00 0.00 O ATOM 1186 CB ALA A 82 43.520 0.901 -17.182 1.00 0.00 C ATOM 0 H ALA A 82 41.500 -0.554 -17.687 1.00 0.00 H new ATOM 0 HA ALA A 82 44.088 -1.016 -16.355 1.00 0.00 H new ATOM 0 HB1 ALA A 82 44.295 1.452 -16.650 1.00 0.00 H new ATOM 0 HB2 ALA A 82 43.872 0.657 -18.184 1.00 0.00 H new ATOM 0 HB3 ALA A 82 42.622 1.514 -17.253 1.00 0.00 H new ATOM 1192 N LYS A 83 41.665 -0.636 -14.535 1.00 0.00 N ATOM 1193 CA LYS A 83 41.198 -0.290 -13.162 1.00 0.00 C ATOM 1194 C LYS A 83 40.785 -1.536 -12.377 1.00 0.00 C ATOM 1195 O LYS A 83 40.080 -1.446 -11.391 1.00 0.00 O ATOM 1196 CB LYS A 83 40.022 0.693 -13.248 1.00 0.00 C ATOM 1197 CG LYS A 83 38.717 -0.068 -13.497 1.00 0.00 C ATOM 1198 CD LYS A 83 37.869 -0.057 -12.223 1.00 0.00 C ATOM 1199 CE LYS A 83 36.388 0.028 -12.596 1.00 0.00 C ATOM 1200 NZ LYS A 83 35.672 0.869 -11.597 1.00 0.00 N ATOM 0 H LYS A 83 41.109 -1.333 -15.030 1.00 0.00 H new ATOM 0 HA LYS A 83 42.027 0.176 -12.630 1.00 0.00 H new ATOM 0 HB2 LYS A 83 39.948 1.265 -12.323 1.00 0.00 H new ATOM 0 HB3 LYS A 83 40.194 1.408 -14.052 1.00 0.00 H new ATOM 0 HG2 LYS A 83 38.166 0.392 -14.317 1.00 0.00 H new ATOM 0 HG3 LYS A 83 38.933 -1.094 -13.794 1.00 0.00 H new ATOM 0 HD2 LYS A 83 38.057 -0.959 -11.641 1.00 0.00 H new ATOM 0 HD3 LYS A 83 38.146 0.791 -11.596 1.00 0.00 H new ATOM 0 HE2 LYS A 83 36.277 0.455 -13.593 1.00 0.00 H new ATOM 0 HE3 LYS A 83 35.952 -0.970 -12.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 34.665 0.927 -11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 35.768 0.444 -10.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 36.083 1.824 -11.589 1.00 0.00 H new ATOM 1214 N GLY A 84 41.217 -2.694 -12.781 1.00 0.00 N ATOM 1215 CA GLY A 84 40.840 -3.911 -12.021 1.00 0.00 C ATOM 1216 C GLY A 84 39.481 -4.404 -12.499 1.00 0.00 C ATOM 1217 O GLY A 84 38.489 -4.260 -11.822 1.00 0.00 O ATOM 0 H GLY A 84 41.809 -2.849 -13.597 1.00 0.00 H new ATOM 0 HA2 GLY A 84 41.591 -4.688 -12.161 1.00 0.00 H new ATOM 0 HA3 GLY A 84 40.805 -3.691 -10.954 1.00 0.00 H new ATOM 1221 N TRP A 85 39.448 -4.971 -13.669 1.00 0.00 N ATOM 1222 CA TRP A 85 38.170 -5.499 -14.251 1.00 0.00 C ATOM 1223 C TRP A 85 37.330 -6.204 -13.176 1.00 0.00 C ATOM 1224 O TRP A 85 37.370 -7.411 -13.038 1.00 0.00 O ATOM 1225 CB TRP A 85 38.494 -6.519 -15.346 1.00 0.00 C ATOM 1226 CG TRP A 85 38.219 -5.938 -16.692 1.00 0.00 C ATOM 1227 CD1 TRP A 85 39.124 -5.805 -17.686 1.00 0.00 C ATOM 1228 CD2 TRP A 85 36.971 -5.414 -17.207 1.00 0.00 C ATOM 1229 NE1 TRP A 85 38.501 -5.227 -18.777 1.00 0.00 N ATOM 1230 CE2 TRP A 85 37.175 -4.968 -18.529 1.00 0.00 C ATOM 1231 CE3 TRP A 85 35.698 -5.282 -16.654 1.00 0.00 C ATOM 1232 CZ2 TRP A 85 36.142 -4.408 -19.282 1.00 0.00 C ATOM 1233 CZ3 TRP A 85 34.655 -4.713 -17.402 1.00 0.00 C ATOM 1234 CH2 TRP A 85 34.873 -4.276 -18.715 1.00 0.00 C ATOM 0 H TRP A 85 40.266 -5.097 -14.265 1.00 0.00 H new ATOM 0 HA TRP A 85 37.608 -4.658 -14.657 1.00 0.00 H new ATOM 0 HB2 TRP A 85 39.540 -6.816 -15.278 1.00 0.00 H new ATOM 0 HB3 TRP A 85 37.897 -7.419 -15.202 1.00 0.00 H new ATOM 0 HD1 TRP A 85 40.162 -6.101 -17.637 1.00 0.00 H new ATOM 0 HE1 TRP A 85 38.969 -5.018 -19.659 1.00 0.00 H new ATOM 0 HE3 TRP A 85 35.513 -5.619 -15.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 36.323 -4.079 -20.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 33.675 -4.611 -16.961 1.00 0.00 H new ATOM 0 HH2 TRP A 85 34.065 -3.840 -19.284 1.00 0.00 H new ATOM 1245 N ALA A 86 36.564 -5.468 -12.425 1.00 0.00 N ATOM 1246 CA ALA A 86 35.713 -6.098 -11.374 1.00 0.00 C ATOM 1247 C ALA A 86 36.556 -7.066 -10.545 1.00 0.00 C ATOM 1248 O ALA A 86 36.086 -8.095 -10.101 1.00 0.00 O ATOM 1249 CB ALA A 86 34.564 -6.859 -12.039 1.00 0.00 C ATOM 0 H ALA A 86 36.488 -4.453 -12.492 1.00 0.00 H new ATOM 0 HA ALA A 86 35.307 -5.324 -10.722 1.00 0.00 H new ATOM 0 HB1 ALA A 86 33.941 -7.320 -11.272 1.00 0.00 H new ATOM 0 HB2 ALA A 86 33.962 -6.167 -12.628 1.00 0.00 H new ATOM 0 HB3 ALA A 86 34.969 -7.633 -12.691 1.00 0.00 H new