USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 707 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 77 SER OG : rot -103:sc= 1.15 USER MOD Set 1.2: A 81 HIS : no HE2:sc= 0.281 K(o=1.4,f=-5.4!) USER MOD Set 2.1: A 8 HIS : no HD1:sc= 0.699 K(o=0.35,f=-3!) USER MOD Set 2.2: A 73 MET CE :methyl 134:sc= -0.348 (180deg=-3.02!) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.086 (180deg=-0.568) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.118 (180deg=-0.105) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.447 F(o=-1.2,f=-0.45) USER MOD Single : A 4 HIS : no HD1:sc= -0.0555 X(o=-0.055,f=-0.51) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS :FLIP no HD1:sc= -0.0585 F(o=-1.8!,f=-0.059) USER MOD Single : A 7 HIS : no HD1:sc= -0.111 X(o=-0.11,f=0.018) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.02! C(o=-2!,f=-2.6!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.95! C(o=-2!,f=-3!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN :FLIP amide:sc= -0.177 F(o=-2.5!,f=-0.18) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.522 F(o=-1.2,f=-0.52) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 37 TYR OH : rot 180:sc= 0.189 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -139:sc= 0 (180deg=-1.21) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 75:sc= 0.35 USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= -0.048 (180deg=-0.349) USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.56 K(o=-0.56,f=-4.7!) USER MOD Single : A 62 CYS SG : rot 100:sc= -3.73! USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.16) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.494 F(o=-3.1!,f=-0.49) USER MOD Single : A 84 GLN : amide:sc= -0.0213 X(o=-0.021,f=-0.43) USER MOD Single : A 85 HIS : no HE2:sc= -0.195 K(o=-0.2,f=-0.77) USER MOD Single : A 86 SER OG : rot -1:sc= 0.632 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.314 0.810 2.700 1.00 73.22 N ATOM 2 CA MET A 1 -2.359 1.372 1.331 1.00 15.13 C ATOM 3 C MET A 1 -1.816 0.362 0.327 1.00 45.32 C ATOM 4 O MET A 1 -1.445 -0.751 0.700 1.00 32.32 O ATOM 5 CB MET A 1 -1.530 2.661 1.252 1.00 22.50 C ATOM 6 CG MET A 1 -2.019 3.782 2.159 1.00 70.23 C ATOM 7 SD MET A 1 -1.013 5.276 2.009 1.00 24.24 S ATOM 8 CE MET A 1 -1.338 5.748 0.309 1.00 64.32 C ATOM 0 H1 MET A 1 -3.246 0.917 3.150 1.00 73.22 H new ATOM 0 H2 MET A 1 -2.066 -0.199 2.653 1.00 73.22 H new ATOM 0 H3 MET A 1 -1.599 1.317 3.260 1.00 73.22 H new ATOM 0 HA MET A 1 -3.398 1.599 1.091 1.00 15.13 H new ATOM 0 HB2 MET A 1 -0.496 2.429 1.507 1.00 22.50 H new ATOM 0 HB3 MET A 1 -1.532 3.017 0.222 1.00 22.50 H new ATOM 0 HG2 MET A 1 -3.055 4.018 1.914 1.00 70.23 H new ATOM 0 HG3 MET A 1 -2.006 3.440 3.194 1.00 70.23 H new ATOM 0 HE1 MET A 1 -1.077 6.797 0.166 1.00 64.32 H new ATOM 0 HE2 MET A 1 -0.739 5.131 -0.361 1.00 64.32 H new ATOM 0 HE3 MET A 1 -2.395 5.604 0.087 1.00 64.32 H new ATOM 20 N ALA A 2 -1.774 0.767 -0.942 1.00 54.21 N ATOM 21 CA ALA A 2 -1.216 -0.052 -2.012 1.00 14.23 C ATOM 22 C ALA A 2 -1.980 -1.364 -2.170 1.00 44.12 C ATOM 23 O ALA A 2 -1.478 -2.439 -1.826 1.00 53.24 O ATOM 24 CB ALA A 2 0.274 -0.304 -1.779 1.00 73.44 C ATOM 0 H ALA A 2 -2.126 1.672 -1.255 1.00 54.21 H new ATOM 0 HA ALA A 2 -1.325 0.500 -2.946 1.00 14.23 H new ATOM 0 HB1 ALA A 2 0.670 -0.917 -2.589 1.00 73.44 H new ATOM 0 HB2 ALA A 2 0.804 0.648 -1.752 1.00 73.44 H new ATOM 0 HB3 ALA A 2 0.411 -0.823 -0.830 1.00 73.44 H new ATOM 30 N HIS A 3 -3.213 -1.262 -2.664 1.00 41.44 N ATOM 31 CA HIS A 3 -4.029 -2.440 -2.947 1.00 1.43 C ATOM 32 C HIS A 3 -3.331 -3.329 -3.982 1.00 4.31 C ATOM 33 O HIS A 3 -3.485 -3.146 -5.190 1.00 2.31 O ATOM 34 CB HIS A 3 -5.445 -2.036 -3.416 1.00 5.12 C ATOM 35 CG HIS A 3 -5.492 -1.219 -4.683 1.00 63.14 C ATOM 36 ND1 HIS A 3 -4.673 -0.241 -5.147 1.00 24.54 N flip ATOM 37 CD2 HIS A 3 -6.484 -1.360 -5.630 1.00 72.24 C flip ATOM 38 CE1 HIS A 3 -5.179 0.177 -6.350 1.00 45.21 C flip ATOM 39 NE2 HIS A 3 -6.270 -0.511 -6.619 1.00 10.03 N flip ATOM 0 H HIS A 3 -3.668 -0.374 -2.876 1.00 41.44 H new ATOM 0 HA HIS A 3 -4.144 -3.012 -2.026 1.00 1.43 H new ATOM 0 HB2 HIS A 3 -6.034 -2.941 -3.564 1.00 5.12 H new ATOM 0 HB3 HIS A 3 -5.927 -1.470 -2.619 1.00 5.12 H new ATOM 0 HD2 HIS A 3 -7.308 -2.056 -5.572 1.00 72.24 H new ATOM 0 HE1 HIS A 3 -4.752 0.946 -6.977 1.00 45.21 H new ATOM 0 HE2 HIS A 3 -6.851 -0.406 -7.451 1.00 10.03 H new ATOM 48 N HIS A 4 -2.517 -4.257 -3.488 1.00 40.34 N ATOM 49 CA HIS A 4 -1.748 -5.156 -4.342 1.00 51.01 C ATOM 50 C HIS A 4 -2.635 -6.272 -4.879 1.00 53.23 C ATOM 51 O HIS A 4 -3.075 -7.144 -4.127 1.00 0.34 O ATOM 52 CB HIS A 4 -0.565 -5.760 -3.568 1.00 50.20 C ATOM 53 CG HIS A 4 0.432 -4.753 -3.087 1.00 33.32 C ATOM 54 ND1 HIS A 4 0.734 -4.571 -1.756 1.00 30.31 N ATOM 55 CD2 HIS A 4 1.215 -3.885 -3.769 1.00 2.31 C ATOM 56 CE1 HIS A 4 1.656 -3.639 -1.639 1.00 13.25 C ATOM 57 NE2 HIS A 4 1.967 -3.206 -2.845 1.00 22.43 N ATOM 0 H HIS A 4 -2.372 -4.407 -2.489 1.00 40.34 H new ATOM 0 HA HIS A 4 -1.361 -4.576 -5.180 1.00 51.01 H new ATOM 0 HB2 HIS A 4 -0.950 -6.312 -2.710 1.00 50.20 H new ATOM 0 HB3 HIS A 4 -0.057 -6.481 -4.208 1.00 50.20 H new ATOM 0 HD2 HIS A 4 1.242 -3.752 -4.840 1.00 2.31 H new ATOM 0 HE1 HIS A 4 2.085 -3.288 -0.712 1.00 13.25 H new ATOM 0 HE2 HIS A 4 2.655 -2.483 -3.056 1.00 22.43 H new ATOM 66 N HIS A 5 -2.904 -6.235 -6.178 1.00 52.40 N ATOM 67 CA HIS A 5 -3.712 -7.262 -6.826 1.00 51.23 C ATOM 68 C HIS A 5 -2.940 -8.579 -6.885 1.00 25.42 C ATOM 69 O HIS A 5 -2.194 -8.829 -7.830 1.00 52.12 O ATOM 70 CB HIS A 5 -4.125 -6.815 -8.236 1.00 11.32 C ATOM 71 CG HIS A 5 -5.003 -7.800 -8.955 1.00 24.41 C ATOM 72 ND1 HIS A 5 -6.377 -7.794 -8.857 1.00 1.43 N ATOM 73 CD2 HIS A 5 -4.695 -8.820 -9.794 1.00 64.02 C ATOM 74 CE1 HIS A 5 -6.875 -8.764 -9.600 1.00 33.02 C ATOM 75 NE2 HIS A 5 -5.876 -9.401 -10.180 1.00 22.00 N ATOM 0 H HIS A 5 -2.573 -5.502 -6.806 1.00 52.40 H new ATOM 0 HA HIS A 5 -4.618 -7.415 -6.239 1.00 51.23 H new ATOM 0 HB2 HIS A 5 -4.648 -5.861 -8.165 1.00 11.32 H new ATOM 0 HB3 HIS A 5 -3.227 -6.643 -8.829 1.00 11.32 H new ATOM 0 HD2 HIS A 5 -3.704 -9.119 -10.101 1.00 64.02 H new ATOM 0 HE1 HIS A 5 -7.923 -8.997 -9.714 1.00 33.02 H new ATOM 0 HE2 HIS A 5 -5.967 -10.196 -10.812 1.00 22.00 H new ATOM 84 N HIS A 6 -3.089 -9.392 -5.846 1.00 34.21 N ATOM 85 CA HIS A 6 -2.433 -10.698 -5.769 1.00 74.21 C ATOM 86 C HIS A 6 -3.361 -11.706 -5.102 1.00 71.31 C ATOM 87 O HIS A 6 -4.382 -11.326 -4.532 1.00 5.52 O ATOM 88 CB HIS A 6 -1.113 -10.611 -4.985 1.00 64.32 C ATOM 89 CG HIS A 6 -0.007 -9.900 -5.709 1.00 13.35 C ATOM 90 ND1 HIS A 6 0.321 -8.587 -5.758 1.00 0.10 N flip ATOM 91 CD2 HIS A 6 0.929 -10.553 -6.482 1.00 40.24 C flip ATOM 92 CE1 HIS A 6 1.437 -8.472 -6.547 1.00 55.12 C flip ATOM 93 NE2 HIS A 6 1.785 -9.673 -6.970 1.00 52.24 N flip ATOM 0 H HIS A 6 -3.665 -9.169 -5.034 1.00 34.21 H new ATOM 0 HA HIS A 6 -2.207 -11.024 -6.784 1.00 74.21 H new ATOM 0 HB2 HIS A 6 -1.299 -10.101 -4.040 1.00 64.32 H new ATOM 0 HB3 HIS A 6 -0.782 -11.621 -4.742 1.00 64.32 H new ATOM 0 HD2 HIS A 6 0.958 -11.618 -6.661 1.00 40.24 H new ATOM 0 HE1 HIS A 6 1.947 -7.550 -6.783 1.00 55.12 H new ATOM 0 HE2 HIS A 6 2.580 -9.886 -7.572 1.00 52.24 H new ATOM 102 N HIS A 7 -3.000 -12.984 -5.179 1.00 31.13 N ATOM 103 CA HIS A 7 -3.794 -14.054 -4.577 1.00 13.43 C ATOM 104 C HIS A 7 -2.988 -15.347 -4.553 1.00 13.23 C ATOM 105 O HIS A 7 -1.955 -15.447 -5.215 1.00 24.42 O ATOM 106 CB HIS A 7 -5.100 -14.272 -5.363 1.00 45.10 C ATOM 107 CG HIS A 7 -4.899 -14.852 -6.738 1.00 22.34 C ATOM 108 ND1 HIS A 7 -4.548 -14.093 -7.836 1.00 12.53 N ATOM 109 CD2 HIS A 7 -5.000 -16.129 -7.188 1.00 21.41 C ATOM 110 CE1 HIS A 7 -4.443 -14.876 -8.896 1.00 22.12 C ATOM 111 NE2 HIS A 7 -4.712 -16.114 -8.530 1.00 52.52 N ATOM 0 H HIS A 7 -2.158 -13.306 -5.655 1.00 31.13 H new ATOM 0 HA HIS A 7 -4.046 -13.763 -3.557 1.00 13.43 H new ATOM 0 HB2 HIS A 7 -5.749 -14.935 -4.792 1.00 45.10 H new ATOM 0 HB3 HIS A 7 -5.620 -13.318 -5.455 1.00 45.10 H new ATOM 0 HD2 HIS A 7 -5.259 -16.996 -6.599 1.00 21.41 H new ATOM 0 HE1 HIS A 7 -4.181 -14.556 -9.894 1.00 22.12 H new ATOM 0 HE2 HIS A 7 -4.707 -16.928 -9.144 1.00 52.52 H new ATOM 120 N HIS A 8 -3.457 -16.326 -3.787 1.00 52.21 N ATOM 121 CA HIS A 8 -2.859 -17.662 -3.778 1.00 10.20 C ATOM 122 C HIS A 8 -3.774 -18.654 -4.487 1.00 44.12 C ATOM 123 O HIS A 8 -4.930 -18.340 -4.785 1.00 2.14 O ATOM 124 CB HIS A 8 -2.579 -18.138 -2.345 1.00 2.10 C ATOM 125 CG HIS A 8 -1.361 -17.522 -1.727 1.00 65.54 C ATOM 126 ND1 HIS A 8 -0.083 -17.956 -2.001 1.00 13.43 N ATOM 127 CD2 HIS A 8 -1.228 -16.503 -0.845 1.00 64.25 C ATOM 128 CE1 HIS A 8 0.782 -17.235 -1.315 1.00 71.44 C ATOM 129 NE2 HIS A 8 0.114 -16.347 -0.607 1.00 64.15 N ATOM 0 H HIS A 8 -4.254 -16.221 -3.160 1.00 52.21 H new ATOM 0 HA HIS A 8 -1.909 -17.607 -4.309 1.00 10.20 H new ATOM 0 HB2 HIS A 8 -3.444 -17.912 -1.722 1.00 2.10 H new ATOM 0 HB3 HIS A 8 -2.464 -19.222 -2.349 1.00 2.10 H new ATOM 0 HD2 HIS A 8 -2.028 -15.922 -0.411 1.00 64.25 H new ATOM 0 HE1 HIS A 8 1.855 -17.352 -1.331 1.00 71.44 H new ATOM 0 HE2 HIS A 8 0.528 -15.655 0.018 1.00 64.15 H new ATOM 138 N MET A 9 -3.251 -19.844 -4.760 1.00 12.25 N ATOM 139 CA MET A 9 -4.014 -20.901 -5.418 1.00 2.23 C ATOM 140 C MET A 9 -3.395 -22.259 -5.110 1.00 52.43 C ATOM 141 O MET A 9 -2.254 -22.335 -4.652 1.00 54.21 O ATOM 142 CB MET A 9 -4.058 -20.671 -6.936 1.00 51.52 C ATOM 143 CG MET A 9 -2.683 -20.620 -7.589 1.00 71.54 C ATOM 144 SD MET A 9 -2.766 -20.322 -9.366 1.00 31.53 S ATOM 145 CE MET A 9 -1.026 -20.168 -9.764 1.00 44.51 C ATOM 0 H MET A 9 -2.291 -20.104 -4.533 1.00 12.25 H new ATOM 0 HA MET A 9 -5.035 -20.881 -5.037 1.00 2.23 H new ATOM 0 HB2 MET A 9 -4.640 -21.468 -7.398 1.00 51.52 H new ATOM 0 HB3 MET A 9 -4.581 -19.736 -7.138 1.00 51.52 H new ATOM 0 HG2 MET A 9 -2.092 -19.833 -7.120 1.00 71.54 H new ATOM 0 HG3 MET A 9 -2.164 -21.561 -7.407 1.00 71.54 H new ATOM 0 HE1 MET A 9 -0.912 -19.981 -10.832 1.00 44.51 H new ATOM 0 HE2 MET A 9 -0.596 -19.339 -9.202 1.00 44.51 H new ATOM 0 HE3 MET A 9 -0.509 -21.091 -9.500 1.00 44.51 H new ATOM 155 N GLY A 10 -4.150 -23.323 -5.351 1.00 33.52 N ATOM 156 CA GLY A 10 -3.658 -24.666 -5.108 1.00 73.32 C ATOM 157 C GLY A 10 -4.788 -25.669 -5.002 1.00 21.22 C ATOM 158 O GLY A 10 -5.022 -26.454 -5.922 1.00 31.32 O ATOM 0 H GLY A 10 -5.102 -23.279 -5.714 1.00 33.52 H new ATOM 0 HA2 GLY A 10 -2.987 -24.959 -5.915 1.00 73.32 H new ATOM 0 HA3 GLY A 10 -3.074 -24.678 -4.188 1.00 73.32 H new ATOM 162 N THR A 11 -5.498 -25.631 -3.885 1.00 23.20 N ATOM 163 CA THR A 11 -6.616 -26.531 -3.645 1.00 64.11 C ATOM 164 C THR A 11 -7.472 -25.984 -2.510 1.00 2.14 C ATOM 165 O THR A 11 -6.995 -25.173 -1.708 1.00 24.42 O ATOM 166 CB THR A 11 -6.126 -27.962 -3.297 1.00 61.21 C ATOM 167 OG1 THR A 11 -7.238 -28.858 -3.199 1.00 21.55 O ATOM 168 CG2 THR A 11 -5.343 -27.977 -1.988 1.00 2.40 C ATOM 0 H THR A 11 -5.317 -24.979 -3.122 1.00 23.20 H new ATOM 0 HA THR A 11 -7.208 -26.594 -4.558 1.00 64.11 H new ATOM 0 HB THR A 11 -5.464 -28.289 -4.099 1.00 61.21 H new ATOM 0 HG1 THR A 11 -6.915 -29.757 -2.981 1.00 21.55 H new ATOM 0 HG21 THR A 11 -5.014 -28.994 -1.773 1.00 2.40 H new ATOM 0 HG22 THR A 11 -4.474 -27.325 -2.076 1.00 2.40 H new ATOM 0 HG23 THR A 11 -5.981 -27.623 -1.178 1.00 2.40 H new ATOM 176 N LEU A 12 -8.731 -26.407 -2.448 1.00 10.11 N ATOM 177 CA LEU A 12 -9.636 -25.939 -1.406 1.00 62.34 C ATOM 178 C LEU A 12 -9.431 -26.748 -0.123 1.00 50.51 C ATOM 179 O LEU A 12 -8.549 -26.433 0.677 1.00 4.12 O ATOM 180 CB LEU A 12 -11.100 -26.008 -1.880 1.00 73.43 C ATOM 181 CG LEU A 12 -12.143 -25.453 -0.893 1.00 43.20 C ATOM 182 CD1 LEU A 12 -11.893 -23.972 -0.611 1.00 34.05 C ATOM 183 CD2 LEU A 12 -13.559 -25.674 -1.422 1.00 2.42 C ATOM 0 H LEU A 12 -9.145 -27.069 -3.104 1.00 10.11 H new ATOM 0 HA LEU A 12 -9.408 -24.895 -1.191 1.00 62.34 H new ATOM 0 HB2 LEU A 12 -11.186 -25.460 -2.818 1.00 73.43 H new ATOM 0 HB3 LEU A 12 -11.346 -27.048 -2.094 1.00 73.43 H new ATOM 0 HG LEU A 12 -12.043 -25.996 0.047 1.00 43.20 H new ATOM 0 HD11 LEU A 12 -12.643 -23.603 0.089 1.00 34.05 H new ATOM 0 HD12 LEU A 12 -10.900 -23.846 -0.179 1.00 34.05 H new ATOM 0 HD13 LEU A 12 -11.957 -23.408 -1.542 1.00 34.05 H new ATOM 0 HD21 LEU A 12 -14.280 -25.274 -0.709 1.00 2.42 H new ATOM 0 HD22 LEU A 12 -13.674 -25.164 -2.379 1.00 2.42 H new ATOM 0 HD23 LEU A 12 -13.735 -26.741 -1.556 1.00 2.42 H new ATOM 195 N GLU A 13 -10.211 -27.815 0.051 1.00 11.24 N ATOM 196 CA GLU A 13 -10.162 -28.615 1.272 1.00 2.42 C ATOM 197 C GLU A 13 -10.248 -30.102 0.949 1.00 25.54 C ATOM 198 O GLU A 13 -10.461 -30.493 -0.203 1.00 43.43 O ATOM 199 CB GLU A 13 -11.308 -28.225 2.223 1.00 52.23 C ATOM 200 CG GLU A 13 -11.217 -26.800 2.768 1.00 2.02 C ATOM 201 CD GLU A 13 -9.912 -26.522 3.501 1.00 23.10 C ATOM 202 OE1 GLU A 13 -9.453 -27.397 4.272 1.00 20.54 O ATOM 203 OE2 GLU A 13 -9.334 -25.427 3.312 1.00 31.04 O ATOM 0 H GLU A 13 -10.885 -28.145 -0.640 1.00 11.24 H new ATOM 0 HA GLU A 13 -9.209 -28.416 1.763 1.00 2.42 H new ATOM 0 HB2 GLU A 13 -12.256 -28.340 1.697 1.00 52.23 H new ATOM 0 HB3 GLU A 13 -11.322 -28.922 3.061 1.00 52.23 H new ATOM 0 HG2 GLU A 13 -11.321 -26.095 1.943 1.00 2.02 H new ATOM 0 HG3 GLU A 13 -12.052 -26.623 3.446 1.00 2.02 H new ATOM 210 N ALA A 14 -10.081 -30.915 1.983 1.00 34.40 N ATOM 211 CA ALA A 14 -10.167 -32.363 1.874 1.00 21.23 C ATOM 212 C ALA A 14 -10.727 -32.940 3.164 1.00 55.24 C ATOM 213 O ALA A 14 -10.931 -32.218 4.143 1.00 61.00 O ATOM 214 CB ALA A 14 -8.796 -32.956 1.565 1.00 34.11 C ATOM 0 H ALA A 14 -9.881 -30.585 2.927 1.00 34.40 H new ATOM 0 HA ALA A 14 -10.837 -32.621 1.054 1.00 21.23 H new ATOM 0 HB1 ALA A 14 -8.878 -34.040 1.487 1.00 34.11 H new ATOM 0 HB2 ALA A 14 -8.428 -32.551 0.622 1.00 34.11 H new ATOM 0 HB3 ALA A 14 -8.101 -32.701 2.365 1.00 34.11 H new ATOM 220 N GLN A 15 -10.962 -34.240 3.157 1.00 62.31 N ATOM 221 CA GLN A 15 -11.573 -34.917 4.291 1.00 61.21 C ATOM 222 C GLN A 15 -10.566 -35.070 5.422 1.00 41.33 C ATOM 223 O GLN A 15 -10.937 -35.171 6.592 1.00 55.20 O ATOM 224 CB GLN A 15 -12.104 -36.289 3.869 1.00 32.53 C ATOM 225 CG GLN A 15 -13.226 -36.244 2.826 1.00 2.10 C ATOM 226 CD GLN A 15 -12.831 -35.554 1.528 1.00 32.43 C ATOM 227 OE1 GLN A 15 -13.026 -34.350 1.363 1.00 73.03 O ATOM 228 NE2 GLN A 15 -12.253 -36.305 0.606 1.00 54.22 N ATOM 0 H GLN A 15 -10.738 -34.853 2.373 1.00 62.31 H new ATOM 0 HA GLN A 15 -12.408 -34.313 4.646 1.00 61.21 H new ATOM 0 HB2 GLN A 15 -11.278 -36.877 3.470 1.00 32.53 H new ATOM 0 HB3 GLN A 15 -12.469 -36.811 4.754 1.00 32.53 H new ATOM 0 HG2 GLN A 15 -13.543 -37.263 2.603 1.00 2.10 H new ATOM 0 HG3 GLN A 15 -14.086 -35.729 3.253 1.00 2.10 H new ATOM 0 HE21 GLN A 15 -12.107 -37.300 0.777 1.00 54.22 H new ATOM 0 HE22 GLN A 15 -11.953 -35.889 -0.276 1.00 54.22 H new ATOM 237 N THR A 16 -9.287 -35.082 5.063 1.00 54.24 N ATOM 238 CA THR A 16 -8.215 -35.164 6.043 1.00 21.43 C ATOM 239 C THR A 16 -7.999 -33.795 6.694 1.00 75.24 C ATOM 240 O THR A 16 -6.936 -33.186 6.566 1.00 55.04 O ATOM 241 CB THR A 16 -6.903 -35.654 5.383 1.00 2.14 C ATOM 242 OG1 THR A 16 -7.195 -36.752 4.507 1.00 30.03 O ATOM 243 CG2 THR A 16 -5.886 -36.102 6.430 1.00 42.53 C ATOM 0 H THR A 16 -8.968 -35.036 4.095 1.00 54.24 H new ATOM 0 HA THR A 16 -8.501 -35.884 6.810 1.00 21.43 H new ATOM 0 HB THR A 16 -6.473 -34.824 4.822 1.00 2.14 H new ATOM 0 HG1 THR A 16 -6.367 -37.064 4.086 1.00 30.03 H new ATOM 0 HG21 THR A 16 -4.977 -36.440 5.933 1.00 42.53 H new ATOM 0 HG22 THR A 16 -5.650 -35.266 7.089 1.00 42.53 H new ATOM 0 HG23 THR A 16 -6.304 -36.920 7.017 1.00 42.53 H new ATOM 251 N GLN A 17 -9.042 -33.299 7.354 1.00 13.34 N ATOM 252 CA GLN A 17 -8.973 -32.013 8.043 1.00 34.33 C ATOM 253 C GLN A 17 -8.196 -32.163 9.352 1.00 53.31 C ATOM 254 O GLN A 17 -7.219 -31.451 9.597 1.00 40.31 O ATOM 255 CB GLN A 17 -10.382 -31.472 8.336 1.00 1.43 C ATOM 256 CG GLN A 17 -10.385 -30.024 8.818 1.00 44.23 C ATOM 257 CD GLN A 17 -11.724 -29.572 9.376 1.00 62.21 C ATOM 258 OE1 GLN A 17 -12.782 -30.077 8.994 1.00 74.11 O ATOM 259 NE2 GLN A 17 -11.686 -28.595 10.268 1.00 32.34 N ATOM 0 H GLN A 17 -9.945 -33.768 7.426 1.00 13.34 H new ATOM 0 HA GLN A 17 -8.458 -31.305 7.394 1.00 34.33 H new ATOM 0 HB2 GLN A 17 -10.988 -31.548 7.433 1.00 1.43 H new ATOM 0 HB3 GLN A 17 -10.855 -32.100 9.091 1.00 1.43 H new ATOM 0 HG2 GLN A 17 -9.621 -29.904 9.586 1.00 44.23 H new ATOM 0 HG3 GLN A 17 -10.108 -29.373 7.989 1.00 44.23 H new ATOM 0 HE21 GLN A 17 -10.790 -28.204 10.558 1.00 32.34 H new ATOM 0 HE22 GLN A 17 -12.553 -28.233 10.665 1.00 32.34 H new ATOM 268 N GLY A 18 -8.645 -33.101 10.178 1.00 74.42 N ATOM 269 CA GLY A 18 -8.020 -33.358 11.462 1.00 12.00 C ATOM 270 C GLY A 18 -8.876 -34.285 12.302 1.00 35.14 C ATOM 271 O GLY A 18 -9.935 -34.716 11.838 1.00 43.04 O ATOM 0 H GLY A 18 -9.446 -33.698 9.975 1.00 74.42 H new ATOM 0 HA2 GLY A 18 -7.036 -33.802 11.310 1.00 12.00 H new ATOM 0 HA3 GLY A 18 -7.867 -32.418 11.992 1.00 12.00 H new ATOM 275 N PRO A 19 -8.451 -34.615 13.537 1.00 2.43 N ATOM 276 CA PRO A 19 -9.216 -35.499 14.429 1.00 73.41 C ATOM 277 C PRO A 19 -10.593 -34.917 14.762 1.00 73.01 C ATOM 278 O PRO A 19 -11.629 -35.475 14.383 1.00 12.24 O ATOM 279 CB PRO A 19 -8.342 -35.594 15.695 1.00 61.45 C ATOM 280 CG PRO A 19 -6.980 -35.158 15.263 1.00 2.54 C ATOM 281 CD PRO A 19 -7.195 -34.160 14.156 1.00 51.13 C ATOM 0 HA PRO A 19 -9.415 -36.469 13.973 1.00 73.41 H new ATOM 0 HB2 PRO A 19 -8.727 -34.954 16.489 1.00 61.45 H new ATOM 0 HB3 PRO A 19 -8.324 -36.611 16.086 1.00 61.45 H new ATOM 0 HG2 PRO A 19 -6.433 -34.709 16.092 1.00 2.54 H new ATOM 0 HG3 PRO A 19 -6.391 -36.006 14.914 1.00 2.54 H new ATOM 0 HD2 PRO A 19 -7.280 -33.144 14.540 1.00 51.13 H new ATOM 0 HD3 PRO A 19 -6.370 -34.164 13.444 1.00 51.13 H new ATOM 289 N GLY A 20 -10.588 -33.783 15.452 1.00 44.34 N ATOM 290 CA GLY A 20 -11.822 -33.128 15.846 1.00 15.12 C ATOM 291 C GLY A 20 -11.601 -32.179 17.003 1.00 30.50 C ATOM 292 O GLY A 20 -10.460 -31.822 17.305 1.00 30.22 O ATOM 0 H GLY A 20 -9.740 -33.300 15.749 1.00 44.34 H new ATOM 0 HA2 GLY A 20 -12.231 -32.580 14.997 1.00 15.12 H new ATOM 0 HA3 GLY A 20 -12.560 -33.879 16.126 1.00 15.12 H new ATOM 296 N SER A 21 -12.688 -31.775 17.651 1.00 5.35 N ATOM 297 CA SER A 21 -12.630 -30.863 18.785 1.00 13.22 C ATOM 298 C SER A 21 -14.030 -30.665 19.355 1.00 35.21 C ATOM 299 O SER A 21 -14.320 -31.089 20.474 1.00 61.22 O ATOM 300 CB SER A 21 -12.022 -29.509 18.374 1.00 65.31 C ATOM 301 OG SER A 21 -11.988 -28.604 19.464 1.00 31.31 O ATOM 0 H SER A 21 -13.633 -32.071 17.405 1.00 5.35 H new ATOM 0 HA SER A 21 -11.988 -31.299 19.550 1.00 13.22 H new ATOM 0 HB2 SER A 21 -11.012 -29.662 17.995 1.00 65.31 H new ATOM 0 HB3 SER A 21 -12.606 -29.079 17.560 1.00 65.31 H new ATOM 0 HG SER A 21 -11.595 -27.755 19.172 1.00 31.31 H new ATOM 307 N MET A 22 -14.896 -30.028 18.563 1.00 40.34 N ATOM 308 CA MET A 22 -16.280 -29.763 18.963 1.00 11.43 C ATOM 309 C MET A 22 -16.330 -28.964 20.272 1.00 25.31 C ATOM 310 O MET A 22 -17.348 -28.950 20.970 1.00 73.35 O ATOM 311 CB MET A 22 -17.064 -31.082 19.093 1.00 14.10 C ATOM 312 CG MET A 22 -17.246 -31.828 17.773 1.00 73.13 C ATOM 313 SD MET A 22 -15.681 -32.231 16.965 1.00 12.04 S ATOM 314 CE MET A 22 -16.263 -33.071 15.493 1.00 34.42 C ATOM 0 H MET A 22 -14.660 -29.683 17.632 1.00 40.34 H new ATOM 0 HA MET A 22 -16.751 -29.159 18.187 1.00 11.43 H new ATOM 0 HB2 MET A 22 -16.546 -31.733 19.798 1.00 14.10 H new ATOM 0 HB3 MET A 22 -18.045 -30.869 19.517 1.00 14.10 H new ATOM 0 HG2 MET A 22 -17.801 -32.748 17.956 1.00 73.13 H new ATOM 0 HG3 MET A 22 -17.850 -31.220 17.099 1.00 73.13 H new ATOM 0 HE1 MET A 22 -15.410 -33.382 14.890 1.00 34.42 H new ATOM 0 HE2 MET A 22 -16.843 -33.948 15.780 1.00 34.42 H new ATOM 0 HE3 MET A 22 -16.891 -32.395 14.913 1.00 34.42 H new ATOM 324 N ASP A 23 -15.222 -28.297 20.591 1.00 74.42 N ATOM 325 CA ASP A 23 -15.134 -27.455 21.784 1.00 12.13 C ATOM 326 C ASP A 23 -15.896 -26.158 21.564 1.00 74.30 C ATOM 327 O ASP A 23 -16.970 -25.950 22.134 1.00 71.42 O ATOM 328 CB ASP A 23 -13.664 -27.152 22.118 1.00 21.15 C ATOM 329 CG ASP A 23 -13.513 -26.120 23.231 1.00 3.10 C ATOM 330 OD1 ASP A 23 -13.609 -26.497 24.416 1.00 40.20 O ATOM 331 OD2 ASP A 23 -13.296 -24.925 22.926 1.00 33.13 O ATOM 0 H ASP A 23 -14.367 -28.324 20.036 1.00 74.42 H new ATOM 0 HA ASP A 23 -15.579 -27.991 22.622 1.00 12.13 H new ATOM 0 HB2 ASP A 23 -13.165 -28.075 22.414 1.00 21.15 H new ATOM 0 HB3 ASP A 23 -13.159 -26.790 21.222 1.00 21.15 H new ATOM 336 N ASP A 24 -15.336 -25.300 20.724 1.00 42.31 N ATOM 337 CA ASP A 24 -15.945 -24.018 20.400 1.00 42.05 C ATOM 338 C ASP A 24 -16.888 -24.187 19.210 1.00 40.34 C ATOM 339 O ASP A 24 -16.965 -25.273 18.624 1.00 21.12 O ATOM 340 CB ASP A 24 -14.845 -22.988 20.088 1.00 70.42 C ATOM 341 CG ASP A 24 -15.338 -21.549 20.139 1.00 43.13 C ATOM 342 OD1 ASP A 24 -15.837 -21.043 19.112 1.00 14.53 O ATOM 343 OD2 ASP A 24 -15.215 -20.911 21.206 1.00 1.13 O ATOM 0 H ASP A 24 -14.450 -25.472 20.249 1.00 42.31 H new ATOM 0 HA ASP A 24 -16.523 -23.657 21.251 1.00 42.05 H new ATOM 0 HB2 ASP A 24 -14.029 -23.111 20.800 1.00 70.42 H new ATOM 0 HB3 ASP A 24 -14.437 -23.190 19.098 1.00 70.42 H new ATOM 348 N GLU A 25 -17.607 -23.129 18.857 1.00 43.24 N ATOM 349 CA GLU A 25 -18.555 -23.175 17.749 1.00 32.13 C ATOM 350 C GLU A 25 -17.812 -23.163 16.414 1.00 71.11 C ATOM 351 O GLU A 25 -16.768 -22.520 16.282 1.00 11.21 O ATOM 352 CB GLU A 25 -19.526 -21.988 17.832 1.00 24.04 C ATOM 353 CG GLU A 25 -20.225 -21.863 19.183 1.00 41.52 C ATOM 354 CD GLU A 25 -20.969 -23.129 19.582 1.00 11.45 C ATOM 355 OE1 GLU A 25 -22.099 -23.342 19.092 1.00 40.34 O ATOM 356 OE2 GLU A 25 -20.431 -23.916 20.385 1.00 25.03 O ATOM 0 H GLU A 25 -17.552 -22.224 19.324 1.00 43.24 H new ATOM 0 HA GLU A 25 -19.128 -24.099 17.818 1.00 32.13 H new ATOM 0 HB2 GLU A 25 -18.979 -21.067 17.629 1.00 24.04 H new ATOM 0 HB3 GLU A 25 -20.279 -22.090 17.051 1.00 24.04 H new ATOM 0 HG2 GLU A 25 -19.486 -21.625 19.948 1.00 41.52 H new ATOM 0 HG3 GLU A 25 -20.927 -21.030 19.148 1.00 41.52 H new ATOM 363 N LEU A 26 -18.344 -23.880 15.429 1.00 21.21 N ATOM 364 CA LEU A 26 -17.703 -23.962 14.122 1.00 15.43 C ATOM 365 C LEU A 26 -18.144 -22.823 13.213 1.00 11.11 C ATOM 366 O LEU A 26 -19.300 -22.386 13.231 1.00 33.23 O ATOM 367 CB LEU A 26 -17.977 -25.309 13.433 1.00 3.44 C ATOM 368 CG LEU A 26 -17.284 -26.535 14.057 1.00 42.43 C ATOM 369 CD1 LEU A 26 -15.809 -26.261 14.318 1.00 63.11 C ATOM 370 CD2 LEU A 26 -17.993 -26.983 15.335 1.00 21.13 C ATOM 0 H LEU A 26 -19.212 -24.409 15.510 1.00 21.21 H new ATOM 0 HA LEU A 26 -16.631 -23.877 14.298 1.00 15.43 H new ATOM 0 HB2 LEU A 26 -19.053 -25.484 13.434 1.00 3.44 H new ATOM 0 HB3 LEU A 26 -17.668 -25.232 12.391 1.00 3.44 H new ATOM 0 HG LEU A 26 -17.350 -27.351 13.337 1.00 42.43 H new ATOM 0 HD11 LEU A 26 -15.347 -27.145 14.759 1.00 63.11 H new ATOM 0 HD12 LEU A 26 -15.311 -26.022 13.378 1.00 63.11 H new ATOM 0 HD13 LEU A 26 -15.711 -25.420 15.005 1.00 63.11 H new ATOM 0 HD21 LEU A 26 -17.480 -27.850 15.751 1.00 21.13 H new ATOM 0 HD22 LEU A 26 -17.981 -26.171 16.062 1.00 21.13 H new ATOM 0 HD23 LEU A 26 -19.025 -27.248 15.105 1.00 21.13 H new ATOM 382 N TYR A 27 -17.195 -22.352 12.426 1.00 5.01 N ATOM 383 CA TYR A 27 -17.418 -21.321 11.428 1.00 1.23 C ATOM 384 C TYR A 27 -16.899 -21.807 10.084 1.00 21.45 C ATOM 385 O TYR A 27 -15.941 -22.586 10.028 1.00 35.30 O ATOM 386 CB TYR A 27 -16.690 -20.021 11.809 1.00 52.12 C ATOM 387 CG TYR A 27 -17.423 -19.147 12.813 1.00 2.32 C ATOM 388 CD1 TYR A 27 -17.758 -19.618 14.079 1.00 64.22 C ATOM 389 CD2 TYR A 27 -17.764 -17.837 12.490 1.00 22.21 C ATOM 390 CE1 TYR A 27 -18.412 -18.811 14.989 1.00 54.23 C ATOM 391 CE2 TYR A 27 -18.419 -17.028 13.393 1.00 1.01 C ATOM 392 CZ TYR A 27 -18.740 -17.515 14.641 1.00 13.21 C ATOM 393 OH TYR A 27 -19.384 -16.704 15.549 1.00 30.44 O ATOM 0 H TYR A 27 -16.230 -22.681 12.462 1.00 5.01 H new ATOM 0 HA TYR A 27 -18.487 -21.117 11.372 1.00 1.23 H new ATOM 0 HB2 TYR A 27 -15.712 -20.276 12.217 1.00 52.12 H new ATOM 0 HB3 TYR A 27 -16.516 -19.440 10.903 1.00 52.12 H new ATOM 0 HD1 TYR A 27 -17.502 -20.631 14.354 1.00 64.22 H new ATOM 0 HD2 TYR A 27 -17.511 -17.448 11.515 1.00 22.21 H new ATOM 0 HE1 TYR A 27 -18.666 -19.191 15.968 1.00 54.23 H new ATOM 0 HE2 TYR A 27 -18.680 -16.015 13.123 1.00 1.01 H new ATOM 0 HH TYR A 27 -19.541 -15.824 15.148 1.00 30.44 H new ATOM 403 N PHE A 28 -17.541 -21.358 9.018 1.00 71.32 N ATOM 404 CA PHE A 28 -17.073 -21.602 7.663 1.00 10.14 C ATOM 405 C PHE A 28 -16.666 -20.286 7.021 1.00 42.44 C ATOM 406 O PHE A 28 -17.048 -19.211 7.488 1.00 44.14 O ATOM 407 CB PHE A 28 -18.161 -22.287 6.810 1.00 40.34 C ATOM 408 CG PHE A 28 -17.827 -23.712 6.448 1.00 41.12 C ATOM 409 CD1 PHE A 28 -16.568 -24.035 5.977 1.00 65.42 C ATOM 410 CD2 PHE A 28 -18.761 -24.726 6.580 1.00 74.33 C ATOM 411 CE1 PHE A 28 -16.250 -25.333 5.651 1.00 62.14 C ATOM 412 CE2 PHE A 28 -18.437 -26.033 6.254 1.00 21.32 C ATOM 413 CZ PHE A 28 -17.183 -26.331 5.791 1.00 60.33 C ATOM 0 H PHE A 28 -18.402 -20.814 9.068 1.00 71.32 H new ATOM 0 HA PHE A 28 -16.213 -22.270 7.712 1.00 10.14 H new ATOM 0 HB2 PHE A 28 -19.105 -22.270 7.355 1.00 40.34 H new ATOM 0 HB3 PHE A 28 -18.311 -21.713 5.896 1.00 40.34 H new ATOM 0 HD1 PHE A 28 -15.825 -23.259 5.864 1.00 65.42 H new ATOM 0 HD2 PHE A 28 -19.752 -24.495 6.941 1.00 74.33 H new ATOM 0 HE1 PHE A 28 -15.262 -25.568 5.283 1.00 62.14 H new ATOM 0 HE2 PHE A 28 -19.173 -26.816 6.365 1.00 21.32 H new ATOM 0 HZ PHE A 28 -16.928 -27.349 5.536 1.00 60.33 H new ATOM 423 N VAL A 29 -15.898 -20.376 5.951 1.00 31.31 N ATOM 424 CA VAL A 29 -15.484 -19.202 5.206 1.00 3.35 C ATOM 425 C VAL A 29 -16.546 -18.907 4.150 1.00 63.31 C ATOM 426 O VAL A 29 -17.109 -19.833 3.572 1.00 22.10 O ATOM 427 CB VAL A 29 -14.106 -19.446 4.546 1.00 23.40 C ATOM 428 CG1 VAL A 29 -13.708 -18.286 3.638 1.00 63.55 C ATOM 429 CG2 VAL A 29 -13.044 -19.709 5.618 1.00 71.30 C ATOM 0 H VAL A 29 -15.546 -21.257 5.576 1.00 31.31 H new ATOM 0 HA VAL A 29 -15.384 -18.347 5.875 1.00 3.35 H new ATOM 0 HB VAL A 29 -14.181 -20.332 3.915 1.00 23.40 H new ATOM 0 HG11 VAL A 29 -12.735 -18.491 3.191 1.00 63.55 H new ATOM 0 HG12 VAL A 29 -14.452 -18.169 2.850 1.00 63.55 H new ATOM 0 HG13 VAL A 29 -13.652 -17.368 4.223 1.00 63.55 H new ATOM 0 HG21 VAL A 29 -12.079 -19.879 5.140 1.00 71.30 H new ATOM 0 HG22 VAL A 29 -12.974 -18.846 6.280 1.00 71.30 H new ATOM 0 HG23 VAL A 29 -13.322 -20.589 6.197 1.00 71.30 H new ATOM 439 N VAL A 30 -16.857 -17.639 3.922 1.00 64.44 N ATOM 440 CA VAL A 30 -17.916 -17.271 2.980 1.00 74.31 C ATOM 441 C VAL A 30 -17.568 -15.986 2.251 1.00 41.10 C ATOM 442 O VAL A 30 -16.744 -15.199 2.724 1.00 44.12 O ATOM 443 CB VAL A 30 -19.283 -17.078 3.691 1.00 20.14 C ATOM 444 CG1 VAL A 30 -19.695 -18.342 4.445 1.00 2.32 C ATOM 445 CG2 VAL A 30 -19.241 -15.868 4.625 1.00 64.13 C ATOM 0 H VAL A 30 -16.396 -16.848 4.372 1.00 64.44 H new ATOM 0 HA VAL A 30 -17.999 -18.094 2.270 1.00 74.31 H new ATOM 0 HB VAL A 30 -20.037 -16.889 2.927 1.00 20.14 H new ATOM 0 HG11 VAL A 30 -20.656 -18.178 4.933 1.00 2.32 H new ATOM 0 HG12 VAL A 30 -19.781 -19.172 3.744 1.00 2.32 H new ATOM 0 HG13 VAL A 30 -18.942 -18.579 5.197 1.00 2.32 H new ATOM 0 HG21 VAL A 30 -20.209 -15.751 5.113 1.00 64.13 H new ATOM 0 HG22 VAL A 30 -18.470 -16.018 5.380 1.00 64.13 H new ATOM 0 HG23 VAL A 30 -19.015 -14.971 4.049 1.00 64.13 H new ATOM 455 N ARG A 31 -18.185 -15.780 1.092 1.00 74.21 N ATOM 456 CA ARG A 31 -18.039 -14.511 0.365 1.00 61.34 C ATOM 457 C ARG A 31 -19.030 -14.409 -0.786 1.00 65.32 C ATOM 458 O ARG A 31 -19.699 -15.387 -1.120 1.00 35.24 O ATOM 459 CB ARG A 31 -16.610 -14.325 -0.173 1.00 41.42 C ATOM 460 CG ARG A 31 -16.116 -15.447 -1.086 1.00 24.13 C ATOM 461 CD ARG A 31 -14.927 -14.996 -1.936 1.00 34.43 C ATOM 462 NE ARG A 31 -14.247 -16.114 -2.595 1.00 52.03 N ATOM 463 CZ ARG A 31 -14.819 -16.949 -3.463 1.00 70.33 C ATOM 464 NH1 ARG A 31 -16.068 -16.752 -3.869 1.00 13.04 N ATOM 465 NH2 ARG A 31 -14.125 -17.970 -3.943 1.00 53.34 N ATOM 0 H ARG A 31 -18.787 -16.465 0.634 1.00 74.21 H new ATOM 0 HA ARG A 31 -18.249 -13.718 1.083 1.00 61.34 H new ATOM 0 HB2 ARG A 31 -16.563 -13.383 -0.720 1.00 41.42 H new ATOM 0 HB3 ARG A 31 -15.928 -14.237 0.672 1.00 41.42 H new ATOM 0 HG2 ARG A 31 -15.828 -16.308 -0.483 1.00 24.13 H new ATOM 0 HG3 ARG A 31 -16.928 -15.772 -1.737 1.00 24.13 H new ATOM 0 HD2 ARG A 31 -15.272 -14.290 -2.691 1.00 34.43 H new ATOM 0 HD3 ARG A 31 -14.215 -14.464 -1.305 1.00 34.43 H new ATOM 0 HE ARG A 31 -13.263 -16.265 -2.373 1.00 52.03 H new ATOM 0 HH11 ARG A 31 -16.599 -15.956 -3.517 1.00 13.04 H new ATOM 0 HH12 ARG A 31 -16.496 -17.397 -4.533 1.00 13.04 H new ATOM 0 HH21 ARG A 31 -13.159 -18.114 -3.648 1.00 53.34 H new ATOM 0 HH22 ARG A 31 -14.556 -18.613 -4.607 1.00 53.34 H new ATOM 479 N ASN A 32 -19.124 -13.217 -1.384 1.00 2.23 N ATOM 480 CA ASN A 32 -19.905 -13.032 -2.608 1.00 31.43 C ATOM 481 C ASN A 32 -19.439 -11.796 -3.375 1.00 1.13 C ATOM 482 O ASN A 32 -19.177 -10.754 -2.777 1.00 32.34 O ATOM 483 CB ASN A 32 -21.406 -12.887 -2.286 1.00 44.45 C ATOM 484 CG ASN A 32 -21.760 -11.623 -1.509 1.00 22.14 C ATOM 485 OD1 ASN A 32 -20.948 -11.257 -0.526 1.00 21.30 O flip ATOM 486 ND2 ASN A 32 -22.780 -10.990 -1.775 1.00 21.21 N flip ATOM 0 H ASN A 32 -18.671 -12.370 -1.041 1.00 2.23 H new ATOM 0 HA ASN A 32 -19.752 -13.917 -3.226 1.00 31.43 H new ATOM 0 HB2 ASN A 32 -21.969 -12.896 -3.219 1.00 44.45 H new ATOM 0 HB3 ASN A 32 -21.728 -13.755 -1.711 1.00 44.45 H new ATOM 0 HD21 ASN A 32 -23.386 -11.295 -2.537 1.00 21.21 H new ATOM 0 HD22 ASN A 32 -23.021 -10.160 -1.234 1.00 21.21 H new ATOM 493 N ASN A 33 -19.388 -11.932 -4.708 1.00 42.50 N ATOM 494 CA ASN A 33 -19.061 -10.848 -5.664 1.00 1.24 C ATOM 495 C ASN A 33 -18.008 -9.838 -5.146 1.00 14.24 C ATOM 496 O ASN A 33 -17.913 -8.719 -5.651 1.00 32.20 O ATOM 497 CB ASN A 33 -20.358 -10.117 -6.068 1.00 73.12 C ATOM 498 CG ASN A 33 -20.187 -9.218 -7.289 1.00 2.33 C ATOM 499 OD1 ASN A 33 -19.988 -7.926 -7.069 1.00 42.53 O flip ATOM 500 ND2 ASN A 33 -20.266 -9.684 -8.428 1.00 65.15 N flip ATOM 0 H ASN A 33 -19.577 -12.821 -5.170 1.00 42.50 H new ATOM 0 HA ASN A 33 -18.601 -11.324 -6.530 1.00 1.24 H new ATOM 0 HB2 ASN A 33 -21.134 -10.854 -6.274 1.00 73.12 H new ATOM 0 HB3 ASN A 33 -20.705 -9.515 -5.228 1.00 73.12 H new ATOM 0 HD21 ASN A 33 -20.420 -10.684 -8.561 1.00 65.15 H new ATOM 0 HD22 ASN A 33 -20.178 -9.070 -9.238 1.00 65.15 H new ATOM 507 N GLU A 34 -17.197 -10.233 -4.168 1.00 12.12 N ATOM 508 CA GLU A 34 -16.237 -9.313 -3.550 1.00 15.25 C ATOM 509 C GLU A 34 -14.797 -9.707 -3.878 1.00 55.43 C ATOM 510 O GLU A 34 -13.916 -8.854 -3.984 1.00 11.43 O ATOM 511 CB GLU A 34 -16.457 -9.266 -2.030 1.00 31.40 C ATOM 512 CG GLU A 34 -16.328 -10.620 -1.343 1.00 45.21 C ATOM 513 CD GLU A 34 -16.837 -10.601 0.090 1.00 55.45 C ATOM 514 OE1 GLU A 34 -16.094 -10.149 0.988 1.00 52.32 O ATOM 515 OE2 GLU A 34 -17.990 -11.031 0.323 1.00 70.25 O ATOM 0 H GLU A 34 -17.183 -11.178 -3.786 1.00 12.12 H new ATOM 0 HA GLU A 34 -16.405 -8.318 -3.961 1.00 15.25 H new ATOM 0 HB2 GLU A 34 -15.736 -8.577 -1.590 1.00 31.40 H new ATOM 0 HB3 GLU A 34 -17.449 -8.861 -1.829 1.00 31.40 H new ATOM 0 HG2 GLU A 34 -16.883 -11.366 -1.912 1.00 45.21 H new ATOM 0 HG3 GLU A 34 -15.282 -10.928 -1.349 1.00 45.21 H new ATOM 522 N GLY A 35 -14.569 -11.009 -4.028 1.00 13.30 N ATOM 523 CA GLY A 35 -13.223 -11.524 -4.248 1.00 3.53 C ATOM 524 C GLY A 35 -12.447 -11.668 -2.949 1.00 21.20 C ATOM 525 O GLY A 35 -11.503 -12.450 -2.864 1.00 11.05 O ATOM 0 H GLY A 35 -15.297 -11.723 -4.001 1.00 13.30 H new ATOM 0 HA2 GLY A 35 -13.282 -12.493 -4.744 1.00 3.53 H new ATOM 0 HA3 GLY A 35 -12.685 -10.855 -4.919 1.00 3.53 H new ATOM 529 N GLN A 36 -12.859 -10.914 -1.934 1.00 72.42 N ATOM 530 CA GLN A 36 -12.273 -11.002 -0.602 1.00 74.31 C ATOM 531 C GLN A 36 -12.944 -12.138 0.166 1.00 21.04 C ATOM 532 O GLN A 36 -14.027 -12.584 -0.212 1.00 51.11 O ATOM 533 CB GLN A 36 -12.457 -9.661 0.131 1.00 41.20 C ATOM 534 CG GLN A 36 -11.772 -9.580 1.493 1.00 14.33 C ATOM 535 CD GLN A 36 -12.010 -8.251 2.194 1.00 24.11 C ATOM 536 OE1 GLN A 36 -13.051 -7.616 2.016 1.00 61.54 O ATOM 537 NE2 GLN A 36 -11.046 -7.817 2.993 1.00 51.11 N ATOM 0 H GLN A 36 -13.608 -10.226 -2.012 1.00 72.42 H new ATOM 0 HA GLN A 36 -11.206 -11.210 -0.675 1.00 74.31 H new ATOM 0 HB2 GLN A 36 -12.073 -8.861 -0.502 1.00 41.20 H new ATOM 0 HB3 GLN A 36 -13.523 -9.478 0.264 1.00 41.20 H new ATOM 0 HG2 GLN A 36 -12.135 -10.390 2.126 1.00 14.33 H new ATOM 0 HG3 GLN A 36 -10.700 -9.731 1.365 1.00 14.33 H new ATOM 0 HE21 GLN A 36 -10.198 -8.370 3.116 1.00 51.11 H new ATOM 0 HE22 GLN A 36 -11.152 -6.930 3.485 1.00 51.11 H new ATOM 546 N TYR A 37 -12.310 -12.612 1.229 1.00 44.03 N ATOM 547 CA TYR A 37 -12.860 -13.713 2.017 1.00 31.33 C ATOM 548 C TYR A 37 -13.411 -13.231 3.348 1.00 72.14 C ATOM 549 O TYR A 37 -12.808 -12.394 4.020 1.00 73.10 O ATOM 550 CB TYR A 37 -11.810 -14.810 2.236 1.00 65.43 C ATOM 551 CG TYR A 37 -11.746 -15.789 1.085 1.00 23.52 C ATOM 552 CD1 TYR A 37 -12.846 -16.579 0.788 1.00 60.30 C ATOM 553 CD2 TYR A 37 -10.617 -15.907 0.287 1.00 24.31 C ATOM 554 CE1 TYR A 37 -12.822 -17.467 -0.267 1.00 72.34 C ATOM 555 CE2 TYR A 37 -10.584 -16.790 -0.778 1.00 24.44 C ATOM 556 CZ TYR A 37 -11.692 -17.567 -1.051 1.00 11.32 C ATOM 557 OH TYR A 37 -11.679 -18.442 -2.118 1.00 0.35 O ATOM 0 H TYR A 37 -11.417 -12.255 1.567 1.00 44.03 H new ATOM 0 HA TYR A 37 -13.688 -14.135 1.448 1.00 31.33 H new ATOM 0 HB2 TYR A 37 -10.831 -14.350 2.372 1.00 65.43 H new ATOM 0 HB3 TYR A 37 -12.039 -15.349 3.155 1.00 65.43 H new ATOM 0 HD1 TYR A 37 -13.737 -16.498 1.393 1.00 60.30 H new ATOM 0 HD2 TYR A 37 -9.750 -15.300 0.501 1.00 24.31 H new ATOM 0 HE1 TYR A 37 -13.685 -18.082 -0.478 1.00 72.34 H new ATOM 0 HE2 TYR A 37 -9.698 -16.871 -1.391 1.00 24.44 H new ATOM 0 HH TYR A 37 -10.811 -18.393 -2.570 1.00 0.35 H new ATOM 567 N SER A 38 -14.573 -13.766 3.702 1.00 71.15 N ATOM 568 CA SER A 38 -15.219 -13.479 4.973 1.00 73.51 C ATOM 569 C SER A 38 -15.484 -14.785 5.724 1.00 12.10 C ATOM 570 O SER A 38 -15.132 -15.862 5.240 1.00 11.10 O ATOM 571 CB SER A 38 -16.530 -12.715 4.735 1.00 52.44 C ATOM 572 OG SER A 38 -16.304 -11.521 3.999 1.00 71.45 O ATOM 0 H SER A 38 -15.095 -14.414 3.112 1.00 71.15 H new ATOM 0 HA SER A 38 -14.562 -12.855 5.579 1.00 73.51 H new ATOM 0 HB2 SER A 38 -17.231 -13.351 4.195 1.00 52.44 H new ATOM 0 HB3 SER A 38 -16.992 -12.473 5.692 1.00 52.44 H new ATOM 0 HG SER A 38 -17.155 -11.056 3.861 1.00 71.45 H new ATOM 578 N VAL A 39 -16.089 -14.690 6.905 1.00 63.03 N ATOM 579 CA VAL A 39 -16.412 -15.868 7.708 1.00 5.30 C ATOM 580 C VAL A 39 -17.852 -15.808 8.206 1.00 14.12 C ATOM 581 O VAL A 39 -18.445 -14.729 8.302 1.00 3.12 O ATOM 582 CB VAL A 39 -15.441 -16.032 8.903 1.00 35.10 C ATOM 583 CG1 VAL A 39 -14.049 -16.424 8.406 1.00 34.34 C ATOM 584 CG2 VAL A 39 -15.383 -14.749 9.732 1.00 24.42 C ATOM 0 H VAL A 39 -16.367 -13.805 7.330 1.00 63.03 H new ATOM 0 HA VAL A 39 -16.299 -16.738 7.062 1.00 5.30 H new ATOM 0 HB VAL A 39 -15.813 -16.830 9.545 1.00 35.10 H new ATOM 0 HG11 VAL A 39 -13.377 -16.536 9.257 1.00 34.34 H new ATOM 0 HG12 VAL A 39 -14.109 -17.368 7.864 1.00 34.34 H new ATOM 0 HG13 VAL A 39 -13.668 -15.648 7.742 1.00 34.34 H new ATOM 0 HG21 VAL A 39 -14.695 -14.886 10.566 1.00 24.42 H new ATOM 0 HG22 VAL A 39 -15.035 -13.927 9.106 1.00 24.42 H new ATOM 0 HG23 VAL A 39 -16.377 -14.518 10.115 1.00 24.42 H new ATOM 594 N TRP A 40 -18.397 -16.974 8.524 1.00 31.10 N ATOM 595 CA TRP A 40 -19.814 -17.128 8.842 1.00 74.31 C ATOM 596 C TRP A 40 -19.991 -18.367 9.711 1.00 25.31 C ATOM 597 O TRP A 40 -19.214 -19.311 9.598 1.00 1.51 O ATOM 598 CB TRP A 40 -20.578 -17.269 7.519 1.00 25.04 C ATOM 599 CG TRP A 40 -22.073 -17.332 7.611 1.00 64.03 C ATOM 600 CD1 TRP A 40 -22.852 -18.452 7.539 1.00 73.50 C ATOM 601 CD2 TRP A 40 -22.973 -16.224 7.742 1.00 63.34 C ATOM 602 NE1 TRP A 40 -24.178 -18.108 7.605 1.00 4.55 N ATOM 603 CE2 TRP A 40 -24.277 -16.748 7.736 1.00 73.33 C ATOM 604 CE3 TRP A 40 -22.801 -14.843 7.861 1.00 72.11 C ATOM 605 CZ2 TRP A 40 -25.405 -15.941 7.844 1.00 64.30 C ATOM 606 CZ3 TRP A 40 -23.922 -14.041 7.972 1.00 51.14 C ATOM 607 CH2 TRP A 40 -25.209 -14.592 7.960 1.00 71.21 C ATOM 0 H TRP A 40 -17.868 -17.845 8.569 1.00 31.10 H new ATOM 0 HA TRP A 40 -20.197 -16.268 9.391 1.00 74.31 H new ATOM 0 HB2 TRP A 40 -20.311 -16.427 6.880 1.00 25.04 H new ATOM 0 HB3 TRP A 40 -20.229 -18.172 7.019 1.00 25.04 H new ATOM 0 HD1 TRP A 40 -22.478 -19.461 7.444 1.00 73.50 H new ATOM 0 HE1 TRP A 40 -24.962 -18.759 7.563 1.00 4.55 H new ATOM 0 HE3 TRP A 40 -21.812 -14.410 7.866 1.00 72.11 H new ATOM 0 HZ2 TRP A 40 -26.399 -16.364 7.837 1.00 64.30 H new ATOM 0 HZ3 TRP A 40 -23.803 -12.972 8.070 1.00 51.14 H new ATOM 0 HH2 TRP A 40 -26.065 -13.939 8.044 1.00 71.21 H new ATOM 618 N MET A 41 -20.985 -18.369 10.590 1.00 15.53 N ATOM 619 CA MET A 41 -21.180 -19.506 11.489 1.00 1.22 C ATOM 620 C MET A 41 -21.688 -20.723 10.713 1.00 72.33 C ATOM 621 O MET A 41 -22.640 -20.624 9.938 1.00 71.32 O ATOM 622 CB MET A 41 -22.146 -19.149 12.625 1.00 42.31 C ATOM 623 CG MET A 41 -22.199 -20.196 13.731 1.00 31.15 C ATOM 624 SD MET A 41 -23.203 -19.673 15.136 1.00 32.11 S ATOM 625 CE MET A 41 -22.940 -21.046 16.259 1.00 73.30 C ATOM 0 H MET A 41 -21.659 -17.612 10.702 1.00 15.53 H new ATOM 0 HA MET A 41 -20.216 -19.756 11.932 1.00 1.22 H new ATOM 0 HB2 MET A 41 -21.850 -18.192 13.055 1.00 42.31 H new ATOM 0 HB3 MET A 41 -23.146 -19.017 12.212 1.00 42.31 H new ATOM 0 HG2 MET A 41 -22.602 -21.125 13.327 1.00 31.15 H new ATOM 0 HG3 MET A 41 -21.186 -20.410 14.073 1.00 31.15 H new ATOM 0 HE1 MET A 41 -23.880 -21.302 16.747 1.00 73.30 H new ATOM 0 HE2 MET A 41 -22.574 -21.908 15.701 1.00 73.30 H new ATOM 0 HE3 MET A 41 -22.205 -20.764 17.013 1.00 73.30 H new ATOM 635 N ASP A 42 -21.035 -21.865 10.925 1.00 51.30 N ATOM 636 CA ASP A 42 -21.361 -23.106 10.216 1.00 11.42 C ATOM 637 C ASP A 42 -22.834 -23.482 10.386 1.00 34.45 C ATOM 638 O ASP A 42 -23.426 -23.249 11.441 1.00 34.15 O ATOM 639 CB ASP A 42 -20.467 -24.250 10.725 1.00 70.44 C ATOM 640 CG ASP A 42 -20.898 -25.620 10.214 1.00 62.11 C ATOM 641 OD1 ASP A 42 -20.754 -25.883 9.001 1.00 14.52 O ATOM 642 OD2 ASP A 42 -21.375 -26.444 11.029 1.00 62.33 O ATOM 0 H ASP A 42 -20.267 -21.958 11.590 1.00 51.30 H new ATOM 0 HA ASP A 42 -21.178 -22.942 9.154 1.00 11.42 H new ATOM 0 HB2 ASP A 42 -19.438 -24.062 10.419 1.00 70.44 H new ATOM 0 HB3 ASP A 42 -20.480 -24.255 11.815 1.00 70.44 H new ATOM 647 N GLY A 43 -23.422 -24.045 9.330 1.00 43.50 N ATOM 648 CA GLY A 43 -24.797 -24.518 9.390 1.00 3.14 C ATOM 649 C GLY A 43 -25.820 -23.423 9.135 1.00 31.24 C ATOM 650 O GLY A 43 -26.963 -23.711 8.770 1.00 3.04 O ATOM 0 H GLY A 43 -22.966 -24.182 8.428 1.00 43.50 H new ATOM 0 HA2 GLY A 43 -24.933 -25.312 8.655 1.00 3.14 H new ATOM 0 HA3 GLY A 43 -24.981 -24.956 10.371 1.00 3.14 H new ATOM 654 N ARG A 44 -25.414 -22.172 9.315 1.00 4.12 N ATOM 655 CA ARG A 44 -26.321 -21.035 9.172 1.00 32.44 C ATOM 656 C ARG A 44 -26.509 -20.689 7.692 1.00 64.22 C ATOM 657 O ARG A 44 -25.531 -20.571 6.952 1.00 52.23 O ATOM 658 CB ARG A 44 -25.763 -19.834 9.948 1.00 0.23 C ATOM 659 CG ARG A 44 -26.728 -18.659 10.082 1.00 25.34 C ATOM 660 CD ARG A 44 -26.122 -17.543 10.924 1.00 30.41 C ATOM 661 NE ARG A 44 -27.056 -16.434 11.140 1.00 65.32 N ATOM 662 CZ ARG A 44 -26.677 -15.177 11.377 1.00 41.11 C ATOM 663 NH1 ARG A 44 -25.389 -14.858 11.385 1.00 33.33 N ATOM 664 NH2 ARG A 44 -27.584 -14.234 11.600 1.00 23.54 N ATOM 0 H ARG A 44 -24.458 -21.916 9.562 1.00 4.12 H new ATOM 0 HA ARG A 44 -27.296 -21.296 9.583 1.00 32.44 H new ATOM 0 HB2 ARG A 44 -25.474 -20.165 10.945 1.00 0.23 H new ATOM 0 HB3 ARG A 44 -24.856 -19.488 9.452 1.00 0.23 H new ATOM 0 HG2 ARG A 44 -26.979 -18.277 9.093 1.00 25.34 H new ATOM 0 HG3 ARG A 44 -27.658 -18.999 10.538 1.00 25.34 H new ATOM 0 HD2 ARG A 44 -25.813 -17.946 11.888 1.00 30.41 H new ATOM 0 HD3 ARG A 44 -25.224 -17.168 10.433 1.00 30.41 H new ATOM 0 HE ARG A 44 -28.055 -16.635 11.107 1.00 65.32 H new ATOM 0 HH11 ARG A 44 -24.685 -15.575 11.210 1.00 33.33 H new ATOM 0 HH12 ARG A 44 -25.103 -13.896 11.567 1.00 33.33 H new ATOM 0 HH21 ARG A 44 -28.577 -14.469 11.591 1.00 23.54 H new ATOM 0 HH22 ARG A 44 -27.288 -13.275 11.781 1.00 23.54 H new ATOM 678 N SER A 45 -27.764 -20.532 7.268 1.00 20.53 N ATOM 679 CA SER A 45 -28.083 -20.259 5.864 1.00 5.15 C ATOM 680 C SER A 45 -27.561 -18.894 5.418 1.00 72.32 C ATOM 681 O SER A 45 -27.476 -17.951 6.208 1.00 4.10 O ATOM 682 CB SER A 45 -29.598 -20.339 5.636 1.00 43.33 C ATOM 683 OG SER A 45 -30.098 -21.631 5.948 1.00 24.12 O ATOM 0 H SER A 45 -28.579 -20.589 7.878 1.00 20.53 H new ATOM 0 HA SER A 45 -27.585 -21.020 5.263 1.00 5.15 H new ATOM 0 HB2 SER A 45 -30.101 -19.593 6.252 1.00 43.33 H new ATOM 0 HB3 SER A 45 -29.825 -20.100 4.597 1.00 43.33 H new ATOM 0 HG SER A 45 -31.066 -21.653 5.795 1.00 24.12 H new ATOM 689 N LEU A 46 -27.212 -18.815 4.140 1.00 30.11 N ATOM 690 CA LEU A 46 -26.703 -17.594 3.533 1.00 41.30 C ATOM 691 C LEU A 46 -27.703 -17.016 2.531 1.00 52.25 C ATOM 692 O LEU A 46 -28.441 -17.762 1.877 1.00 65.25 O ATOM 693 CB LEU A 46 -25.373 -17.886 2.835 1.00 31.30 C ATOM 694 CG LEU A 46 -24.148 -17.936 3.756 1.00 40.51 C ATOM 695 CD1 LEU A 46 -22.922 -18.395 2.985 1.00 14.34 C ATOM 696 CD2 LEU A 46 -23.899 -16.569 4.390 1.00 11.43 C ATOM 0 H LEU A 46 -27.275 -19.601 3.493 1.00 30.11 H new ATOM 0 HA LEU A 46 -26.551 -16.855 4.320 1.00 41.30 H new ATOM 0 HB2 LEU A 46 -25.456 -18.841 2.315 1.00 31.30 H new ATOM 0 HB3 LEU A 46 -25.205 -17.123 2.075 1.00 31.30 H new ATOM 0 HG LEU A 46 -24.345 -18.654 4.552 1.00 40.51 H new ATOM 0 HD11 LEU A 46 -22.062 -18.425 3.654 1.00 14.34 H new ATOM 0 HD12 LEU A 46 -23.100 -19.390 2.578 1.00 14.34 H new ATOM 0 HD13 LEU A 46 -22.724 -17.700 2.169 1.00 14.34 H new ATOM 0 HD21 LEU A 46 -23.026 -16.623 5.040 1.00 11.43 H new ATOM 0 HD22 LEU A 46 -23.723 -15.831 3.607 1.00 11.43 H new ATOM 0 HD23 LEU A 46 -24.770 -16.275 4.976 1.00 11.43 H new ATOM 708 N PRO A 47 -27.735 -15.675 2.402 1.00 40.22 N ATOM 709 CA PRO A 47 -28.620 -14.988 1.462 1.00 35.22 C ATOM 710 C PRO A 47 -28.074 -14.970 0.026 1.00 3.22 C ATOM 711 O PRO A 47 -26.946 -15.423 -0.246 1.00 43.43 O ATOM 712 CB PRO A 47 -28.700 -13.571 2.040 1.00 55.23 C ATOM 713 CG PRO A 47 -27.389 -13.363 2.725 1.00 33.22 C ATOM 714 CD PRO A 47 -26.920 -14.724 3.187 1.00 72.34 C ATOM 0 HA PRO A 47 -29.586 -15.484 1.371 1.00 35.22 H new ATOM 0 HB2 PRO A 47 -28.857 -12.832 1.255 1.00 55.23 H new ATOM 0 HB3 PRO A 47 -29.531 -13.475 2.739 1.00 55.23 H new ATOM 0 HG2 PRO A 47 -26.664 -12.914 2.046 1.00 33.22 H new ATOM 0 HG3 PRO A 47 -27.497 -12.683 3.570 1.00 33.22 H new ATOM 0 HD2 PRO A 47 -25.855 -14.863 3.000 1.00 72.34 H new ATOM 0 HD3 PRO A 47 -27.075 -14.856 4.258 1.00 72.34 H new ATOM 722 N ALA A 48 -28.888 -14.425 -0.877 1.00 24.10 N ATOM 723 CA ALA A 48 -28.595 -14.402 -2.306 1.00 45.31 C ATOM 724 C ALA A 48 -27.183 -13.902 -2.590 1.00 10.30 C ATOM 725 O ALA A 48 -26.791 -12.820 -2.142 1.00 50.42 O ATOM 726 CB ALA A 48 -29.616 -13.537 -3.033 1.00 71.43 C ATOM 0 H ALA A 48 -29.775 -13.984 -0.634 1.00 24.10 H new ATOM 0 HA ALA A 48 -28.659 -15.426 -2.674 1.00 45.31 H new ATOM 0 HB1 ALA A 48 -29.390 -13.525 -4.099 1.00 71.43 H new ATOM 0 HB2 ALA A 48 -30.615 -13.945 -2.878 1.00 71.43 H new ATOM 0 HB3 ALA A 48 -29.575 -12.520 -2.642 1.00 71.43 H new ATOM 732 N GLY A 49 -26.425 -14.708 -3.324 1.00 61.20 N ATOM 733 CA GLY A 49 -25.087 -14.330 -3.724 1.00 60.31 C ATOM 734 C GLY A 49 -24.013 -14.969 -2.865 1.00 71.01 C ATOM 735 O GLY A 49 -22.926 -15.273 -3.359 1.00 13.20 O ATOM 0 H GLY A 49 -26.720 -15.628 -3.652 1.00 61.20 H new ATOM 0 HA2 GLY A 49 -24.930 -14.614 -4.765 1.00 60.31 H new ATOM 0 HA3 GLY A 49 -24.990 -13.246 -3.672 1.00 60.31 H new ATOM 739 N TRP A 50 -24.313 -15.191 -1.586 1.00 52.24 N ATOM 740 CA TRP A 50 -23.297 -15.655 -0.639 1.00 31.12 C ATOM 741 C TRP A 50 -23.003 -17.145 -0.811 1.00 32.34 C ATOM 742 O TRP A 50 -23.920 -17.963 -0.916 1.00 34.24 O ATOM 743 CB TRP A 50 -23.731 -15.353 0.798 1.00 51.44 C ATOM 744 CG TRP A 50 -23.743 -13.885 1.113 1.00 52.31 C ATOM 745 CD1 TRP A 50 -24.589 -12.946 0.604 1.00 43.21 C ATOM 746 CD2 TRP A 50 -22.864 -13.190 2.008 1.00 52.50 C ATOM 747 NE1 TRP A 50 -24.292 -11.711 1.121 1.00 1.04 N ATOM 748 CE2 TRP A 50 -23.236 -11.834 1.988 1.00 0.44 C ATOM 749 CE3 TRP A 50 -21.799 -13.584 2.821 1.00 71.24 C ATOM 750 CZ2 TRP A 50 -22.582 -10.869 2.753 1.00 41.50 C ATOM 751 CZ3 TRP A 50 -21.149 -12.627 3.582 1.00 43.03 C ATOM 752 CH2 TRP A 50 -21.543 -11.283 3.542 1.00 53.43 C ATOM 0 H TRP A 50 -25.241 -15.059 -1.184 1.00 52.24 H new ATOM 0 HA TRP A 50 -22.375 -15.114 -0.850 1.00 31.12 H new ATOM 0 HB2 TRP A 50 -24.727 -15.762 0.964 1.00 51.44 H new ATOM 0 HB3 TRP A 50 -23.058 -15.861 1.489 1.00 51.44 H new ATOM 0 HD1 TRP A 50 -25.379 -13.146 -0.104 1.00 43.21 H new ATOM 0 HE1 TRP A 50 -24.777 -10.842 0.897 1.00 1.04 H new ATOM 0 HE3 TRP A 50 -21.488 -14.618 2.856 1.00 71.24 H new ATOM 0 HZ2 TRP A 50 -22.884 -9.833 2.724 1.00 41.50 H new ATOM 0 HZ3 TRP A 50 -20.326 -12.921 4.216 1.00 43.03 H new ATOM 0 HH2 TRP A 50 -21.016 -10.559 4.146 1.00 53.43 H new ATOM 763 N GLU A 51 -21.714 -17.481 -0.840 1.00 31.52 N ATOM 764 CA GLU A 51 -21.261 -18.861 -1.010 1.00 65.54 C ATOM 765 C GLU A 51 -20.275 -19.239 0.098 1.00 44.41 C ATOM 766 O GLU A 51 -19.576 -18.364 0.649 1.00 23.22 O ATOM 767 CB GLU A 51 -20.610 -19.027 -2.391 1.00 21.21 C ATOM 768 CG GLU A 51 -19.366 -18.166 -2.582 1.00 31.04 C ATOM 769 CD GLU A 51 -18.961 -18.021 -4.042 1.00 61.44 C ATOM 770 OE1 GLU A 51 -19.654 -17.294 -4.783 1.00 74.23 O ATOM 771 OE2 GLU A 51 -17.952 -18.631 -4.458 1.00 2.31 O ATOM 0 H GLU A 51 -20.955 -16.806 -0.746 1.00 31.52 H new ATOM 0 HA GLU A 51 -22.120 -19.528 -0.943 1.00 65.54 H new ATOM 0 HB2 GLU A 51 -20.344 -20.074 -2.535 1.00 21.21 H new ATOM 0 HB3 GLU A 51 -21.339 -18.775 -3.161 1.00 21.21 H new ATOM 0 HG2 GLU A 51 -19.547 -17.177 -2.161 1.00 31.04 H new ATOM 0 HG3 GLU A 51 -18.539 -18.604 -2.023 1.00 31.04 H new ATOM 778 N THR A 52 -20.230 -20.543 0.402 1.00 32.54 N ATOM 779 CA THR A 52 -19.415 -21.088 1.491 1.00 63.35 C ATOM 780 C THR A 52 -18.137 -21.740 0.960 1.00 21.15 C ATOM 781 O THR A 52 -18.070 -22.136 -0.206 1.00 10.23 O ATOM 782 CB THR A 52 -20.206 -22.134 2.318 1.00 43.32 C ATOM 783 OG1 THR A 52 -20.747 -23.145 1.452 1.00 14.24 O ATOM 784 CG2 THR A 52 -21.339 -21.483 3.105 1.00 41.04 C ATOM 0 H THR A 52 -20.761 -21.251 -0.104 1.00 32.54 H new ATOM 0 HA THR A 52 -19.149 -20.248 2.133 1.00 63.35 H new ATOM 0 HB THR A 52 -19.512 -22.588 3.025 1.00 43.32 H new ATOM 0 HG1 THR A 52 -21.243 -23.801 1.985 1.00 14.24 H new ATOM 0 HG21 THR A 52 -21.872 -22.245 3.673 1.00 41.04 H new ATOM 0 HG22 THR A 52 -20.927 -20.742 3.790 1.00 41.04 H new ATOM 0 HG23 THR A 52 -22.028 -20.996 2.415 1.00 41.04 H new ATOM 792 N VAL A 53 -17.147 -21.884 1.846 1.00 23.41 N ATOM 793 CA VAL A 53 -15.806 -22.364 1.498 1.00 22.34 C ATOM 794 C VAL A 53 -14.969 -22.561 2.762 1.00 44.25 C ATOM 795 O VAL A 53 -15.408 -22.237 3.872 1.00 74.21 O ATOM 796 CB VAL A 53 -15.035 -21.379 0.556 1.00 51.30 C ATOM 797 CG1 VAL A 53 -15.272 -21.699 -0.920 1.00 62.24 C ATOM 798 CG2 VAL A 53 -15.412 -19.926 0.858 1.00 31.43 C ATOM 0 H VAL A 53 -17.255 -21.668 2.837 1.00 23.41 H new ATOM 0 HA VAL A 53 -15.949 -23.307 0.971 1.00 22.34 H new ATOM 0 HB VAL A 53 -13.971 -21.511 0.754 1.00 51.30 H new ATOM 0 HG11 VAL A 53 -14.719 -20.992 -1.539 1.00 62.24 H new ATOM 0 HG12 VAL A 53 -14.930 -22.712 -1.132 1.00 62.24 H new ATOM 0 HG13 VAL A 53 -16.336 -21.621 -1.143 1.00 62.24 H new ATOM 0 HG21 VAL A 53 -14.863 -19.261 0.191 1.00 31.43 H new ATOM 0 HG22 VAL A 53 -16.483 -19.789 0.707 1.00 31.43 H new ATOM 0 HG23 VAL A 53 -15.159 -19.692 1.892 1.00 31.43 H new ATOM 808 N GLY A 54 -13.763 -23.092 2.579 1.00 3.04 N ATOM 809 CA GLY A 54 -12.819 -23.218 3.669 1.00 22.23 C ATOM 810 C GLY A 54 -13.059 -24.449 4.516 1.00 33.01 C ATOM 811 O GLY A 54 -13.715 -25.397 4.083 1.00 72.20 O ATOM 0 H GLY A 54 -13.423 -23.440 1.683 1.00 3.04 H new ATOM 0 HA2 GLY A 54 -11.807 -23.253 3.265 1.00 22.23 H new ATOM 0 HA3 GLY A 54 -12.880 -22.331 4.300 1.00 22.23 H new ATOM 815 N GLU A 55 -12.506 -24.422 5.718 1.00 4.43 N ATOM 816 CA GLU A 55 -12.617 -25.517 6.678 1.00 31.03 C ATOM 817 C GLU A 55 -13.541 -25.102 7.825 1.00 24.14 C ATOM 818 O GLU A 55 -13.484 -23.953 8.273 1.00 23.13 O ATOM 819 CB GLU A 55 -11.207 -25.871 7.210 1.00 24.22 C ATOM 820 CG GLU A 55 -11.089 -25.917 8.736 1.00 31.31 C ATOM 821 CD GLU A 55 -9.648 -25.996 9.218 1.00 15.13 C ATOM 822 OE1 GLU A 55 -8.969 -24.946 9.241 1.00 54.04 O ATOM 823 OE2 GLU A 55 -9.184 -27.104 9.567 1.00 72.41 O ATOM 0 H GLU A 55 -11.960 -23.632 6.062 1.00 4.43 H new ATOM 0 HA GLU A 55 -13.042 -26.396 6.194 1.00 31.03 H new ATOM 0 HB2 GLU A 55 -10.915 -26.841 6.808 1.00 24.22 H new ATOM 0 HB3 GLU A 55 -10.495 -25.140 6.827 1.00 24.22 H new ATOM 0 HG2 GLU A 55 -11.560 -25.029 9.158 1.00 31.31 H new ATOM 0 HG3 GLU A 55 -11.640 -26.779 9.112 1.00 31.31 H new ATOM 830 N PRO A 56 -14.429 -26.002 8.301 1.00 15.13 N ATOM 831 CA PRO A 56 -15.237 -25.729 9.488 1.00 1.52 C ATOM 832 C PRO A 56 -14.380 -25.761 10.757 1.00 72.40 C ATOM 833 O PRO A 56 -13.861 -26.813 11.149 1.00 53.12 O ATOM 834 CB PRO A 56 -16.277 -26.855 9.481 1.00 31.21 C ATOM 835 CG PRO A 56 -15.611 -27.975 8.756 1.00 3.01 C ATOM 836 CD PRO A 56 -14.742 -27.327 7.712 1.00 64.45 C ATOM 0 HA PRO A 56 -15.693 -24.739 9.476 1.00 1.52 H new ATOM 0 HB2 PRO A 56 -16.553 -27.147 10.494 1.00 31.21 H new ATOM 0 HB3 PRO A 56 -17.193 -26.546 8.978 1.00 31.21 H new ATOM 0 HG2 PRO A 56 -15.016 -28.583 9.437 1.00 3.01 H new ATOM 0 HG3 PRO A 56 -16.346 -28.636 8.298 1.00 3.01 H new ATOM 0 HD2 PRO A 56 -13.838 -27.907 7.524 1.00 64.45 H new ATOM 0 HD3 PRO A 56 -15.262 -27.231 6.759 1.00 64.45 H new ATOM 844 N ALA A 57 -14.239 -24.600 11.387 1.00 33.55 N ATOM 845 CA ALA A 57 -13.355 -24.431 12.541 1.00 55.44 C ATOM 846 C ALA A 57 -13.755 -23.187 13.324 1.00 31.23 C ATOM 847 O ALA A 57 -14.529 -22.372 12.829 1.00 52.10 O ATOM 848 CB ALA A 57 -11.898 -24.336 12.093 1.00 52.45 C ATOM 0 H ALA A 57 -14.732 -23.749 11.115 1.00 33.55 H new ATOM 0 HA ALA A 57 -13.455 -25.302 13.189 1.00 55.44 H new ATOM 0 HB1 ALA A 57 -11.257 -24.211 12.965 1.00 52.45 H new ATOM 0 HB2 ALA A 57 -11.619 -25.248 11.566 1.00 52.45 H new ATOM 0 HB3 ALA A 57 -11.777 -23.481 11.428 1.00 52.45 H new ATOM 854 N THR A 58 -13.227 -23.038 14.535 1.00 61.34 N ATOM 855 CA THR A 58 -13.587 -21.909 15.388 1.00 41.54 C ATOM 856 C THR A 58 -13.197 -20.580 14.732 1.00 53.23 C ATOM 857 O THR A 58 -12.361 -20.547 13.825 1.00 72.34 O ATOM 858 CB THR A 58 -12.937 -22.017 16.788 1.00 32.00 C ATOM 859 OG1 THR A 58 -13.412 -20.959 17.635 1.00 12.31 O ATOM 860 CG2 THR A 58 -11.414 -21.955 16.703 1.00 4.31 C ATOM 0 H THR A 58 -12.551 -23.681 14.947 1.00 61.34 H new ATOM 0 HA THR A 58 -14.669 -21.937 15.514 1.00 41.54 H new ATOM 0 HB THR A 58 -13.218 -22.982 17.210 1.00 32.00 H new ATOM 0 HG1 THR A 58 -14.329 -21.155 17.920 1.00 12.31 H new ATOM 0 HG21 THR A 58 -10.990 -22.034 17.704 1.00 4.31 H new ATOM 0 HG22 THR A 58 -11.050 -22.779 16.089 1.00 4.31 H new ATOM 0 HG23 THR A 58 -11.113 -21.008 16.255 1.00 4.31 H new ATOM 868 N LYS A 59 -13.804 -19.494 15.212 1.00 20.01 N ATOM 869 CA LYS A 59 -13.611 -18.156 14.647 1.00 44.32 C ATOM 870 C LYS A 59 -12.128 -17.849 14.416 1.00 75.31 C ATOM 871 O LYS A 59 -11.740 -17.406 13.331 1.00 55.41 O ATOM 872 CB LYS A 59 -14.227 -17.110 15.590 1.00 22.43 C ATOM 873 CG LYS A 59 -14.138 -15.670 15.087 1.00 75.31 C ATOM 874 CD LYS A 59 -14.913 -15.469 13.788 1.00 22.03 C ATOM 875 CE LYS A 59 -14.952 -14.003 13.369 1.00 60.14 C ATOM 876 NZ LYS A 59 -15.635 -13.151 14.380 1.00 44.44 N ATOM 0 H LYS A 59 -14.445 -19.516 16.005 1.00 20.01 H new ATOM 0 HA LYS A 59 -14.109 -18.119 13.678 1.00 44.32 H new ATOM 0 HB2 LYS A 59 -15.275 -17.360 15.753 1.00 22.43 H new ATOM 0 HB3 LYS A 59 -13.729 -17.174 16.558 1.00 22.43 H new ATOM 0 HG2 LYS A 59 -14.527 -14.995 15.849 1.00 75.31 H new ATOM 0 HG3 LYS A 59 -13.092 -15.405 14.930 1.00 75.31 H new ATOM 0 HD2 LYS A 59 -14.454 -16.061 12.996 1.00 22.03 H new ATOM 0 HD3 LYS A 59 -15.931 -15.838 13.912 1.00 22.03 H new ATOM 0 HE2 LYS A 59 -13.935 -13.642 13.219 1.00 60.14 H new ATOM 0 HE3 LYS A 59 -15.467 -13.913 12.412 1.00 60.14 H new ATOM 0 HZ1 LYS A 59 -15.897 -12.242 13.948 1.00 44.44 H new ATOM 0 HZ2 LYS A 59 -16.492 -13.633 14.718 1.00 44.44 H new ATOM 0 HZ3 LYS A 59 -14.994 -12.982 15.181 1.00 44.44 H new ATOM 890 N GLN A 60 -11.313 -18.107 15.437 1.00 12.52 N ATOM 891 CA GLN A 60 -9.880 -17.813 15.391 1.00 60.11 C ATOM 892 C GLN A 60 -9.201 -18.522 14.214 1.00 73.42 C ATOM 893 O GLN A 60 -8.415 -17.917 13.486 1.00 12.21 O ATOM 894 CB GLN A 60 -9.215 -18.222 16.712 1.00 71.20 C ATOM 895 CG GLN A 60 -7.735 -17.855 16.805 1.00 21.32 C ATOM 896 CD GLN A 60 -7.089 -18.278 18.119 1.00 4.32 C ATOM 897 OE1 GLN A 60 -7.856 -18.266 19.203 1.00 72.30 O flip ATOM 898 NE2 GLN A 60 -5.901 -18.594 18.164 1.00 42.31 N flip ATOM 0 H GLN A 60 -11.624 -18.523 16.315 1.00 12.52 H new ATOM 0 HA GLN A 60 -9.761 -16.739 15.247 1.00 60.11 H new ATOM 0 HB2 GLN A 60 -9.748 -17.749 17.537 1.00 71.20 H new ATOM 0 HB3 GLN A 60 -9.320 -19.299 16.841 1.00 71.20 H new ATOM 0 HG2 GLN A 60 -7.200 -18.322 15.978 1.00 21.32 H new ATOM 0 HG3 GLN A 60 -7.627 -16.777 16.686 1.00 21.32 H new ATOM 0 HE21 GLN A 60 -5.340 -18.593 17.312 1.00 42.31 H new ATOM 0 HE22 GLN A 60 -5.477 -18.858 19.053 1.00 42.31 H new ATOM 907 N GLN A 61 -9.519 -19.799 14.019 1.00 11.51 N ATOM 908 CA GLN A 61 -8.907 -20.586 12.948 1.00 25.23 C ATOM 909 C GLN A 61 -9.470 -20.178 11.589 1.00 25.12 C ATOM 910 O GLN A 61 -8.742 -20.099 10.599 1.00 72.45 O ATOM 911 CB GLN A 61 -9.136 -22.084 13.177 1.00 32.13 C ATOM 912 CG GLN A 61 -8.533 -22.607 14.476 1.00 4.10 C ATOM 913 CD GLN A 61 -8.759 -24.097 14.665 1.00 71.32 C ATOM 914 OE1 GLN A 61 -9.773 -24.516 15.228 1.00 3.32 O ATOM 915 NE2 GLN A 61 -7.820 -24.905 14.198 1.00 15.31 N ATOM 0 H GLN A 61 -10.195 -20.311 14.586 1.00 11.51 H new ATOM 0 HA GLN A 61 -7.835 -20.389 12.958 1.00 25.23 H new ATOM 0 HB2 GLN A 61 -10.208 -22.282 13.179 1.00 32.13 H new ATOM 0 HB3 GLN A 61 -8.711 -22.639 12.341 1.00 32.13 H new ATOM 0 HG2 GLN A 61 -7.463 -22.401 14.484 1.00 4.10 H new ATOM 0 HG3 GLN A 61 -8.968 -22.067 15.317 1.00 4.10 H new ATOM 0 HE21 GLN A 61 -6.996 -24.517 13.738 1.00 15.31 H new ATOM 0 HE22 GLN A 61 -7.921 -25.915 14.298 1.00 15.31 H new ATOM 924 N CYS A 62 -10.770 -19.908 11.561 1.00 12.43 N ATOM 925 CA CYS A 62 -11.464 -19.541 10.332 1.00 63.15 C ATOM 926 C CYS A 62 -10.839 -18.279 9.728 1.00 45.14 C ATOM 927 O CYS A 62 -10.502 -18.246 8.539 1.00 24.33 O ATOM 928 CB CYS A 62 -12.957 -19.334 10.625 1.00 43.44 C ATOM 929 SG CYS A 62 -14.019 -19.414 9.166 1.00 5.43 S ATOM 0 H CYS A 62 -11.370 -19.937 12.385 1.00 12.43 H new ATOM 0 HA CYS A 62 -11.363 -20.346 9.604 1.00 63.15 H new ATOM 0 HB2 CYS A 62 -13.283 -20.090 11.339 1.00 43.44 H new ATOM 0 HB3 CYS A 62 -13.090 -18.364 11.104 1.00 43.44 H new ATOM 0 HG CYS A 62 -14.576 -20.587 9.098 1.00 5.43 H new ATOM 935 N LEU A 63 -10.658 -17.249 10.559 1.00 32.10 N ATOM 936 CA LEU A 63 -10.031 -16.008 10.107 1.00 54.21 C ATOM 937 C LEU A 63 -8.554 -16.240 9.786 1.00 45.12 C ATOM 938 O LEU A 63 -8.028 -15.693 8.819 1.00 0.30 O ATOM 939 CB LEU A 63 -10.230 -14.870 11.136 1.00 51.43 C ATOM 940 CG LEU A 63 -9.609 -15.068 12.539 1.00 12.23 C ATOM 941 CD1 LEU A 63 -8.136 -14.657 12.563 1.00 32.23 C ATOM 942 CD2 LEU A 63 -10.397 -14.291 13.594 1.00 43.32 C ATOM 0 H LEU A 63 -10.935 -17.251 11.541 1.00 32.10 H new ATOM 0 HA LEU A 63 -10.522 -15.689 9.188 1.00 54.21 H new ATOM 0 HB2 LEU A 63 -9.819 -13.955 10.711 1.00 51.43 H new ATOM 0 HB3 LEU A 63 -11.301 -14.711 11.260 1.00 51.43 H new ATOM 0 HG LEU A 63 -9.663 -16.131 12.775 1.00 12.23 H new ATOM 0 HD11 LEU A 63 -7.732 -14.809 13.564 1.00 32.23 H new ATOM 0 HD12 LEU A 63 -7.577 -15.263 11.850 1.00 32.23 H new ATOM 0 HD13 LEU A 63 -8.047 -13.605 12.292 1.00 32.23 H new ATOM 0 HD21 LEU A 63 -9.943 -14.444 14.573 1.00 43.32 H new ATOM 0 HD22 LEU A 63 -10.383 -13.229 13.350 1.00 43.32 H new ATOM 0 HD23 LEU A 63 -11.428 -14.645 13.612 1.00 43.32 H new ATOM 954 N GLN A 64 -7.899 -17.085 10.583 1.00 23.35 N ATOM 955 CA GLN A 64 -6.500 -17.449 10.340 1.00 61.05 C ATOM 956 C GLN A 64 -6.353 -18.114 8.977 1.00 42.03 C ATOM 957 O GLN A 64 -5.331 -17.962 8.300 1.00 43.03 O ATOM 958 CB GLN A 64 -5.993 -18.396 11.441 1.00 61.12 C ATOM 959 CG GLN A 64 -4.567 -18.898 11.220 1.00 33.54 C ATOM 960 CD GLN A 64 -4.123 -19.902 12.268 1.00 74.01 C ATOM 961 OE1 GLN A 64 -4.302 -21.114 12.107 1.00 25.14 O ATOM 962 NE2 GLN A 64 -3.541 -19.406 13.347 1.00 60.21 N ATOM 0 H GLN A 64 -8.313 -17.531 11.402 1.00 23.35 H new ATOM 0 HA GLN A 64 -5.901 -16.538 10.355 1.00 61.05 H new ATOM 0 HB2 GLN A 64 -6.041 -17.880 12.400 1.00 61.12 H new ATOM 0 HB3 GLN A 64 -6.663 -19.253 11.506 1.00 61.12 H new ATOM 0 HG2 GLN A 64 -4.498 -19.356 10.233 1.00 33.54 H new ATOM 0 HG3 GLN A 64 -3.884 -18.049 11.226 1.00 33.54 H new ATOM 0 HE21 GLN A 64 -3.413 -18.398 13.440 1.00 60.21 H new ATOM 0 HE22 GLN A 64 -3.220 -20.031 14.086 1.00 60.21 H new ATOM 971 N ARG A 65 -7.385 -18.841 8.571 1.00 40.34 N ATOM 972 CA ARG A 65 -7.338 -19.603 7.334 1.00 13.52 C ATOM 973 C ARG A 65 -7.510 -18.681 6.130 1.00 14.24 C ATOM 974 O ARG A 65 -6.773 -18.789 5.152 1.00 44.41 O ATOM 975 CB ARG A 65 -8.404 -20.708 7.345 1.00 2.22 C ATOM 976 CG ARG A 65 -8.218 -21.740 6.237 1.00 23.32 C ATOM 977 CD ARG A 65 -8.974 -23.033 6.520 1.00 54.45 C ATOM 978 NE ARG A 65 -8.508 -24.119 5.653 1.00 65.22 N ATOM 979 CZ ARG A 65 -7.583 -25.015 6.005 1.00 14.34 C ATOM 980 NH1 ARG A 65 -7.142 -25.074 7.253 1.00 74.43 N ATOM 981 NH2 ARG A 65 -7.144 -25.897 5.122 1.00 73.25 N ATOM 0 H ARG A 65 -8.265 -18.918 9.082 1.00 40.34 H new ATOM 0 HA ARG A 65 -6.361 -20.079 7.253 1.00 13.52 H new ATOM 0 HB2 ARG A 65 -8.382 -21.214 8.310 1.00 2.22 H new ATOM 0 HB3 ARG A 65 -9.389 -20.253 7.246 1.00 2.22 H new ATOM 0 HG2 ARG A 65 -8.561 -21.321 5.291 1.00 23.32 H new ATOM 0 HG3 ARG A 65 -7.157 -21.960 6.122 1.00 23.32 H new ATOM 0 HD2 ARG A 65 -8.840 -23.315 7.564 1.00 54.45 H new ATOM 0 HD3 ARG A 65 -10.041 -22.874 6.367 1.00 54.45 H new ATOM 0 HE ARG A 65 -8.916 -24.195 4.721 1.00 65.22 H new ATOM 0 HH11 ARG A 65 -7.509 -24.431 7.955 1.00 74.43 H new ATOM 0 HH12 ARG A 65 -6.435 -25.762 7.512 1.00 74.43 H new ATOM 0 HH21 ARG A 65 -7.512 -25.893 4.171 1.00 73.25 H new ATOM 0 HH22 ARG A 65 -6.437 -26.581 5.392 1.00 73.25 H new ATOM 995 N ILE A 66 -8.461 -17.753 6.214 1.00 5.32 N ATOM 996 CA ILE A 66 -8.693 -16.806 5.123 1.00 74.32 C ATOM 997 C ILE A 66 -7.514 -15.852 4.979 1.00 34.13 C ATOM 998 O ILE A 66 -7.167 -15.450 3.860 1.00 70.50 O ATOM 999 CB ILE A 66 -9.996 -15.989 5.309 1.00 74.43 C ATOM 1000 CG1 ILE A 66 -9.960 -15.158 6.598 1.00 1.20 C ATOM 1001 CG2 ILE A 66 -11.200 -16.915 5.314 1.00 14.24 C ATOM 1002 CD1 ILE A 66 -11.150 -14.236 6.764 1.00 42.21 C ATOM 0 H ILE A 66 -9.078 -17.636 7.017 1.00 5.32 H new ATOM 0 HA ILE A 66 -8.800 -17.401 4.216 1.00 74.32 H new ATOM 0 HB ILE A 66 -10.079 -15.298 4.470 1.00 74.43 H new ATOM 0 HG12 ILE A 66 -9.913 -15.833 7.453 1.00 1.20 H new ATOM 0 HG13 ILE A 66 -9.047 -14.563 6.610 1.00 1.20 H new ATOM 0 HG21 ILE A 66 -12.109 -16.329 5.445 1.00 14.24 H new ATOM 0 HG22 ILE A 66 -11.249 -17.453 4.367 1.00 14.24 H new ATOM 0 HG23 ILE A 66 -11.107 -17.629 6.133 1.00 14.24 H new ATOM 0 HD11 ILE A 66 -11.054 -13.682 7.698 1.00 42.21 H new ATOM 0 HD12 ILE A 66 -11.187 -13.536 5.929 1.00 42.21 H new ATOM 0 HD13 ILE A 66 -12.067 -14.825 6.785 1.00 42.21 H new ATOM 1014 N GLU A 67 -6.895 -15.501 6.112 1.00 53.30 N ATOM 1015 CA GLU A 67 -5.704 -14.663 6.098 1.00 71.01 C ATOM 1016 C GLU A 67 -4.649 -15.269 5.186 1.00 51.43 C ATOM 1017 O GLU A 67 -4.220 -14.650 4.227 1.00 55.34 O ATOM 1018 CB GLU A 67 -5.104 -14.519 7.505 1.00 61.10 C ATOM 1019 CG GLU A 67 -5.810 -13.542 8.428 1.00 14.42 C ATOM 1020 CD GLU A 67 -5.048 -13.368 9.732 1.00 33.42 C ATOM 1021 OE1 GLU A 67 -4.136 -12.514 9.781 1.00 24.22 O ATOM 1022 OE2 GLU A 67 -5.335 -14.102 10.700 1.00 43.23 O ATOM 0 H GLU A 67 -7.202 -15.785 7.042 1.00 53.30 H new ATOM 0 HA GLU A 67 -6.002 -13.680 5.734 1.00 71.01 H new ATOM 0 HB2 GLU A 67 -5.100 -15.500 7.980 1.00 61.10 H new ATOM 0 HB3 GLU A 67 -4.064 -14.209 7.406 1.00 61.10 H new ATOM 0 HG2 GLU A 67 -5.911 -12.577 7.931 1.00 14.42 H new ATOM 0 HG3 GLU A 67 -6.818 -13.900 8.638 1.00 14.42 H new ATOM 1029 N GLN A 68 -4.293 -16.513 5.465 1.00 2.11 N ATOM 1030 CA GLN A 68 -3.178 -17.176 4.794 1.00 35.25 C ATOM 1031 C GLN A 68 -3.443 -17.396 3.301 1.00 3.20 C ATOM 1032 O GLN A 68 -2.538 -17.786 2.555 1.00 2.44 O ATOM 1033 CB GLN A 68 -2.900 -18.521 5.477 1.00 75.11 C ATOM 1034 CG GLN A 68 -2.483 -18.396 6.941 1.00 72.43 C ATOM 1035 CD GLN A 68 -2.325 -19.749 7.614 1.00 64.25 C ATOM 1036 OE1 GLN A 68 -1.256 -20.361 7.571 1.00 23.20 O ATOM 1037 NE2 GLN A 68 -3.390 -20.224 8.243 1.00 13.54 N ATOM 0 H GLN A 68 -4.764 -17.092 6.160 1.00 2.11 H new ATOM 0 HA GLN A 68 -2.308 -16.524 4.874 1.00 35.25 H new ATOM 0 HB2 GLN A 68 -3.795 -19.140 5.416 1.00 75.11 H new ATOM 0 HB3 GLN A 68 -2.114 -19.041 4.928 1.00 75.11 H new ATOM 0 HG2 GLN A 68 -1.542 -17.850 7.003 1.00 72.43 H new ATOM 0 HG3 GLN A 68 -3.227 -17.810 7.480 1.00 72.43 H new ATOM 0 HE21 GLN A 68 -4.257 -19.686 8.256 1.00 13.54 H new ATOM 0 HE22 GLN A 68 -3.343 -21.127 8.715 1.00 13.54 H new ATOM 1046 N LEU A 69 -4.678 -17.166 2.865 1.00 70.13 N ATOM 1047 CA LEU A 69 -5.056 -17.478 1.482 1.00 22.31 C ATOM 1048 C LEU A 69 -5.152 -16.224 0.608 1.00 33.43 C ATOM 1049 O LEU A 69 -4.348 -16.027 -0.308 1.00 63.24 O ATOM 1050 CB LEU A 69 -6.406 -18.218 1.469 1.00 23.42 C ATOM 1051 CG LEU A 69 -6.417 -19.592 2.161 1.00 43.12 C ATOM 1052 CD1 LEU A 69 -7.819 -20.199 2.144 1.00 35.21 C ATOM 1053 CD2 LEU A 69 -5.414 -20.538 1.503 1.00 42.22 C ATOM 0 H LEU A 69 -5.426 -16.771 3.435 1.00 70.13 H new ATOM 0 HA LEU A 69 -4.273 -18.111 1.065 1.00 22.31 H new ATOM 0 HB2 LEU A 69 -7.152 -17.584 1.948 1.00 23.42 H new ATOM 0 HB3 LEU A 69 -6.718 -18.350 0.433 1.00 23.42 H new ATOM 0 HG LEU A 69 -6.121 -19.448 3.200 1.00 43.12 H new ATOM 0 HD11 LEU A 69 -7.801 -21.170 2.639 1.00 35.21 H new ATOM 0 HD12 LEU A 69 -8.508 -19.537 2.668 1.00 35.21 H new ATOM 0 HD13 LEU A 69 -8.149 -20.324 1.113 1.00 35.21 H new ATOM 0 HD21 LEU A 69 -5.439 -21.503 2.008 1.00 42.22 H new ATOM 0 HD22 LEU A 69 -5.674 -20.671 0.453 1.00 42.22 H new ATOM 0 HD23 LEU A 69 -4.412 -20.115 1.577 1.00 42.22 H new ATOM 1065 N TRP A 70 -6.144 -15.384 0.898 1.00 4.00 N ATOM 1066 CA TRP A 70 -6.356 -14.137 0.162 1.00 33.32 C ATOM 1067 C TRP A 70 -5.533 -13.002 0.755 1.00 14.11 C ATOM 1068 O TRP A 70 -4.721 -12.364 0.082 1.00 5.44 O ATOM 1069 CB TRP A 70 -7.847 -13.773 0.168 1.00 44.12 C ATOM 1070 CG TRP A 70 -8.161 -12.456 -0.488 1.00 4.32 C ATOM 1071 CD1 TRP A 70 -8.403 -11.264 0.139 1.00 43.22 C ATOM 1072 CD2 TRP A 70 -8.262 -12.195 -1.894 1.00 25.42 C ATOM 1073 NE1 TRP A 70 -8.649 -10.283 -0.789 1.00 41.21 N ATOM 1074 CE2 TRP A 70 -8.567 -10.827 -2.043 1.00 11.33 C ATOM 1075 CE3 TRP A 70 -8.125 -12.981 -3.042 1.00 42.41 C ATOM 1076 CZ2 TRP A 70 -8.735 -10.231 -3.292 1.00 23.42 C ATOM 1077 CZ3 TRP A 70 -8.292 -12.388 -4.281 1.00 45.11 C ATOM 1078 CH2 TRP A 70 -8.595 -11.026 -4.397 1.00 22.44 C ATOM 0 H TRP A 70 -6.820 -15.546 1.645 1.00 4.00 H new ATOM 0 HA TRP A 70 -6.028 -14.287 -0.867 1.00 33.32 H new ATOM 0 HB2 TRP A 70 -8.404 -14.561 -0.339 1.00 44.12 H new ATOM 0 HB3 TRP A 70 -8.199 -13.746 1.199 1.00 44.12 H new ATOM 0 HD1 TRP A 70 -8.401 -11.116 1.209 1.00 43.22 H new ATOM 0 HE1 TRP A 70 -8.859 -9.307 -0.579 1.00 41.21 H new ATOM 0 HE3 TRP A 70 -7.893 -14.033 -2.963 1.00 42.41 H new ATOM 0 HZ2 TRP A 70 -8.967 -9.180 -3.384 1.00 23.42 H new ATOM 0 HZ3 TRP A 70 -8.187 -12.986 -5.174 1.00 45.11 H new ATOM 0 HH2 TRP A 70 -8.721 -10.594 -5.379 1.00 22.44 H new ATOM 1089 N THR A 71 -5.746 -12.799 2.044 1.00 54.12 N ATOM 1090 CA THR A 71 -5.234 -11.647 2.770 1.00 14.01 C ATOM 1091 C THR A 71 -3.729 -11.763 3.022 1.00 15.51 C ATOM 1092 O THR A 71 -3.080 -10.802 3.412 1.00 20.13 O ATOM 1093 CB THR A 71 -5.987 -11.520 4.113 1.00 13.44 C ATOM 1094 OG1 THR A 71 -7.390 -11.732 3.895 1.00 21.02 O ATOM 1095 CG2 THR A 71 -5.780 -10.153 4.741 1.00 55.35 C ATOM 0 H THR A 71 -6.287 -13.439 2.625 1.00 54.12 H new ATOM 0 HA THR A 71 -5.397 -10.756 2.163 1.00 14.01 H new ATOM 0 HB THR A 71 -5.590 -12.272 4.795 1.00 13.44 H new ATOM 0 HG1 THR A 71 -7.869 -11.653 4.746 1.00 21.02 H new ATOM 0 HG21 THR A 71 -6.324 -10.100 5.684 1.00 55.35 H new ATOM 0 HG22 THR A 71 -4.718 -9.995 4.926 1.00 55.35 H new ATOM 0 HG23 THR A 71 -6.150 -9.382 4.065 1.00 55.35 H new ATOM 1103 N ASP A 72 -3.199 -12.951 2.770 1.00 23.54 N ATOM 1104 CA ASP A 72 -1.826 -13.329 3.124 1.00 73.31 C ATOM 1105 C ASP A 72 -0.779 -12.266 2.782 1.00 64.32 C ATOM 1106 O ASP A 72 0.293 -12.228 3.391 1.00 42.51 O ATOM 1107 CB ASP A 72 -1.477 -14.626 2.420 1.00 14.44 C ATOM 1108 CG ASP A 72 -0.038 -15.074 2.642 1.00 72.24 C ATOM 1109 OD1 ASP A 72 0.260 -15.644 3.712 1.00 35.04 O ATOM 1110 OD2 ASP A 72 0.799 -14.870 1.736 1.00 33.45 O ATOM 0 H ASP A 72 -3.716 -13.698 2.305 1.00 23.54 H new ATOM 0 HA ASP A 72 -1.801 -13.442 4.208 1.00 73.31 H new ATOM 0 HB2 ASP A 72 -2.150 -15.410 2.767 1.00 14.44 H new ATOM 0 HB3 ASP A 72 -1.650 -14.507 1.351 1.00 14.44 H new ATOM 1115 N MET A 73 -1.082 -11.427 1.798 1.00 3.33 N ATOM 1116 CA MET A 73 -0.155 -10.392 1.344 1.00 42.30 C ATOM 1117 C MET A 73 0.050 -9.341 2.439 1.00 21.21 C ATOM 1118 O MET A 73 -0.501 -8.237 2.379 1.00 61.04 O ATOM 1119 CB MET A 73 -0.674 -9.746 0.049 1.00 75.02 C ATOM 1120 CG MET A 73 -1.041 -10.763 -1.026 1.00 60.21 C ATOM 1121 SD MET A 73 0.346 -11.828 -1.478 1.00 34.12 S ATOM 1122 CE MET A 73 -0.480 -13.064 -2.484 1.00 71.41 C ATOM 0 H MET A 73 -1.969 -11.443 1.295 1.00 3.33 H new ATOM 0 HA MET A 73 0.811 -10.851 1.133 1.00 42.30 H new ATOM 0 HB2 MET A 73 -1.550 -9.139 0.279 1.00 75.02 H new ATOM 0 HB3 MET A 73 0.087 -9.072 -0.343 1.00 75.02 H new ATOM 0 HG2 MET A 73 -1.867 -11.379 -0.671 1.00 60.21 H new ATOM 0 HG3 MET A 73 -1.394 -10.237 -1.913 1.00 60.21 H new ATOM 0 HE1 MET A 73 0.095 -13.236 -3.394 1.00 71.41 H new ATOM 0 HE2 MET A 73 -0.559 -13.995 -1.924 1.00 71.41 H new ATOM 0 HE3 MET A 73 -1.478 -12.712 -2.746 1.00 71.41 H new ATOM 1132 N VAL A 74 0.837 -9.708 3.444 1.00 33.41 N ATOM 1133 CA VAL A 74 1.053 -8.880 4.624 1.00 45.22 C ATOM 1134 C VAL A 74 2.247 -7.940 4.427 1.00 1.21 C ATOM 1135 O VAL A 74 3.299 -8.359 3.945 1.00 54.40 O ATOM 1136 CB VAL A 74 1.273 -9.769 5.882 1.00 10.10 C ATOM 1137 CG1 VAL A 74 2.413 -10.767 5.664 1.00 23.42 C ATOM 1138 CG2 VAL A 74 1.527 -8.918 7.124 1.00 71.12 C ATOM 0 H VAL A 74 1.345 -10.592 3.463 1.00 33.41 H new ATOM 0 HA VAL A 74 0.161 -8.272 4.774 1.00 45.22 H new ATOM 0 HB VAL A 74 0.357 -10.336 6.046 1.00 10.10 H new ATOM 0 HG11 VAL A 74 2.542 -11.373 6.560 1.00 23.42 H new ATOM 0 HG12 VAL A 74 2.174 -11.414 4.820 1.00 23.42 H new ATOM 0 HG13 VAL A 74 3.336 -10.225 5.456 1.00 23.42 H new ATOM 0 HG21 VAL A 74 1.677 -9.568 7.986 1.00 71.12 H new ATOM 0 HG22 VAL A 74 2.417 -8.307 6.971 1.00 71.12 H new ATOM 0 HG23 VAL A 74 0.669 -8.270 7.303 1.00 71.12 H new ATOM 1148 N PRO A 75 2.085 -6.644 4.767 1.00 55.42 N ATOM 1149 CA PRO A 75 3.172 -5.651 4.684 1.00 60.35 C ATOM 1150 C PRO A 75 4.307 -5.927 5.686 1.00 72.13 C ATOM 1151 O PRO A 75 4.474 -7.054 6.163 1.00 1.32 O ATOM 1152 CB PRO A 75 2.469 -4.316 5.013 1.00 71.04 C ATOM 1153 CG PRO A 75 1.010 -4.587 4.855 1.00 45.31 C ATOM 1154 CD PRO A 75 0.825 -6.029 5.227 1.00 22.00 C ATOM 0 HA PRO A 75 3.655 -5.663 3.707 1.00 60.35 H new ATOM 0 HB2 PRO A 75 2.700 -3.990 6.027 1.00 71.04 H new ATOM 0 HB3 PRO A 75 2.796 -3.523 4.340 1.00 71.04 H new ATOM 0 HG2 PRO A 75 0.418 -3.937 5.500 1.00 45.31 H new ATOM 0 HG3 PRO A 75 0.685 -4.402 3.831 1.00 45.31 H new ATOM 0 HD2 PRO A 75 0.680 -6.156 6.300 1.00 22.00 H new ATOM 0 HD3 PRO A 75 -0.043 -6.467 4.734 1.00 22.00 H new ATOM 1162 N ALA A 76 5.068 -4.878 6.016 1.00 51.25 N ATOM 1163 CA ALA A 76 6.210 -4.974 6.936 1.00 24.45 C ATOM 1164 C ALA A 76 5.822 -5.614 8.274 1.00 43.13 C ATOM 1165 O ALA A 76 6.690 -6.042 9.041 1.00 43.44 O ATOM 1166 CB ALA A 76 6.812 -3.590 7.164 1.00 60.32 C ATOM 0 H ALA A 76 4.911 -3.938 5.654 1.00 51.25 H new ATOM 0 HA ALA A 76 6.954 -5.623 6.473 1.00 24.45 H new ATOM 0 HB1 ALA A 76 7.658 -3.669 7.847 1.00 60.32 H new ATOM 0 HB2 ALA A 76 7.151 -3.179 6.213 1.00 60.32 H new ATOM 0 HB3 ALA A 76 6.058 -2.932 7.595 1.00 60.32 H new ATOM 1172 N SER A 77 4.519 -5.684 8.535 1.00 71.53 N ATOM 1173 CA SER A 77 3.984 -6.313 9.740 1.00 24.45 C ATOM 1174 C SER A 77 4.583 -7.714 9.942 1.00 52.41 C ATOM 1175 O SER A 77 4.697 -8.191 11.074 1.00 1.13 O ATOM 1176 CB SER A 77 2.452 -6.386 9.638 1.00 43.23 C ATOM 1177 OG SER A 77 1.865 -6.857 10.839 1.00 75.44 O ATOM 0 H SER A 77 3.803 -5.305 7.915 1.00 71.53 H new ATOM 0 HA SER A 77 4.258 -5.711 10.606 1.00 24.45 H new ATOM 0 HB2 SER A 77 2.056 -5.398 9.403 1.00 43.23 H new ATOM 0 HB3 SER A 77 2.174 -7.044 8.815 1.00 43.23 H new ATOM 0 HG SER A 77 1.598 -7.793 10.727 1.00 75.44 H new ATOM 1183 N VAL A 78 4.986 -8.355 8.841 1.00 50.43 N ATOM 1184 CA VAL A 78 5.612 -9.679 8.892 1.00 1.34 C ATOM 1185 C VAL A 78 6.779 -9.704 9.889 1.00 72.15 C ATOM 1186 O VAL A 78 6.928 -10.652 10.663 1.00 61.33 O ATOM 1187 CB VAL A 78 6.111 -10.122 7.488 1.00 12.41 C ATOM 1188 CG1 VAL A 78 7.078 -9.095 6.893 1.00 13.13 C ATOM 1189 CG2 VAL A 78 6.757 -11.508 7.550 1.00 22.14 C ATOM 0 H VAL A 78 4.889 -7.976 7.899 1.00 50.43 H new ATOM 0 HA VAL A 78 4.849 -10.381 9.228 1.00 1.34 H new ATOM 0 HB VAL A 78 5.243 -10.181 6.831 1.00 12.41 H new ATOM 0 HG11 VAL A 78 7.409 -9.433 5.911 1.00 13.13 H new ATOM 0 HG12 VAL A 78 6.573 -8.134 6.794 1.00 13.13 H new ATOM 0 HG13 VAL A 78 7.941 -8.985 7.549 1.00 13.13 H new ATOM 0 HG21 VAL A 78 7.098 -11.795 6.555 1.00 22.14 H new ATOM 0 HG22 VAL A 78 7.607 -11.483 8.232 1.00 22.14 H new ATOM 0 HG23 VAL A 78 6.027 -12.234 7.907 1.00 22.14 H new ATOM 1199 N ARG A 79 7.580 -8.640 9.886 1.00 61.45 N ATOM 1200 CA ARG A 79 8.739 -8.539 10.774 1.00 14.22 C ATOM 1201 C ARG A 79 8.283 -8.329 12.215 1.00 51.30 C ATOM 1202 O ARG A 79 8.925 -8.798 13.157 1.00 43.03 O ATOM 1203 CB ARG A 79 9.643 -7.372 10.345 1.00 63.44 C ATOM 1204 CG ARG A 79 10.198 -7.489 8.928 1.00 63.40 C ATOM 1205 CD ARG A 79 11.195 -8.640 8.788 1.00 74.44 C ATOM 1206 NE ARG A 79 12.325 -8.521 9.720 1.00 53.13 N ATOM 1207 CZ ARG A 79 13.266 -7.568 9.659 1.00 42.11 C ATOM 1208 NH1 ARG A 79 13.227 -6.642 8.707 1.00 73.33 N ATOM 1209 NH2 ARG A 79 14.255 -7.549 10.549 1.00 64.44 N ATOM 0 H ARG A 79 7.448 -7.833 9.277 1.00 61.45 H new ATOM 0 HA ARG A 79 9.304 -9.469 10.708 1.00 14.22 H new ATOM 0 HB2 ARG A 79 9.078 -6.443 10.425 1.00 63.44 H new ATOM 0 HB3 ARG A 79 10.477 -7.299 11.043 1.00 63.44 H new ATOM 0 HG2 ARG A 79 9.375 -7.637 8.229 1.00 63.40 H new ATOM 0 HG3 ARG A 79 10.685 -6.554 8.653 1.00 63.40 H new ATOM 0 HD2 ARG A 79 10.681 -9.585 8.964 1.00 74.44 H new ATOM 0 HD3 ARG A 79 11.572 -8.667 7.766 1.00 74.44 H new ATOM 0 HE ARG A 79 12.399 -9.212 10.466 1.00 53.13 H new ATOM 0 HH11 ARG A 79 12.477 -6.653 8.016 1.00 73.33 H new ATOM 0 HH12 ARG A 79 13.947 -5.920 8.668 1.00 73.33 H new ATOM 0 HH21 ARG A 79 14.298 -8.260 11.279 1.00 64.44 H new ATOM 0 HH22 ARG A 79 14.970 -6.823 10.501 1.00 64.44 H new ATOM 1223 N GLU A 80 7.166 -7.627 12.371 1.00 45.44 N ATOM 1224 CA GLU A 80 6.636 -7.293 13.688 1.00 22.12 C ATOM 1225 C GLU A 80 5.994 -8.523 14.332 1.00 4.33 C ATOM 1226 O GLU A 80 5.984 -8.663 15.552 1.00 13.03 O ATOM 1227 CB GLU A 80 5.623 -6.142 13.567 1.00 62.53 C ATOM 1228 CG GLU A 80 5.167 -5.564 14.904 1.00 73.11 C ATOM 1229 CD GLU A 80 6.324 -5.060 15.755 1.00 33.40 C ATOM 1230 OE1 GLU A 80 6.970 -4.063 15.367 1.00 33.42 O ATOM 1231 OE2 GLU A 80 6.594 -5.655 16.820 1.00 51.44 O ATOM 0 H GLU A 80 6.606 -7.276 11.594 1.00 45.44 H new ATOM 0 HA GLU A 80 7.454 -6.967 14.330 1.00 22.12 H new ATOM 0 HB2 GLU A 80 6.067 -5.344 12.972 1.00 62.53 H new ATOM 0 HB3 GLU A 80 4.749 -6.498 13.021 1.00 62.53 H new ATOM 0 HG2 GLU A 80 4.472 -4.744 14.722 1.00 73.11 H new ATOM 0 HG3 GLU A 80 4.621 -6.328 15.457 1.00 73.11 H new ATOM 1238 N HIS A 81 5.477 -9.425 13.496 1.00 54.53 N ATOM 1239 CA HIS A 81 4.860 -10.664 13.980 1.00 0.23 C ATOM 1240 C HIS A 81 5.893 -11.529 14.696 1.00 2.25 C ATOM 1241 O HIS A 81 5.572 -12.261 15.630 1.00 34.22 O ATOM 1242 CB HIS A 81 4.249 -11.464 12.820 1.00 32.20 C ATOM 1243 CG HIS A 81 3.139 -10.759 12.103 1.00 2.42 C ATOM 1244 ND1 HIS A 81 2.621 -11.202 10.908 1.00 13.53 N ATOM 1245 CD2 HIS A 81 2.445 -9.641 12.419 1.00 0.35 C ATOM 1246 CE1 HIS A 81 1.661 -10.387 10.521 1.00 43.44 C ATOM 1247 NE2 HIS A 81 1.532 -9.430 11.419 1.00 2.53 N ATOM 0 H HIS A 81 5.473 -9.322 12.481 1.00 54.53 H new ATOM 0 HA HIS A 81 4.068 -10.389 14.677 1.00 0.23 H new ATOM 0 HB2 HIS A 81 5.036 -11.701 12.104 1.00 32.20 H new ATOM 0 HB3 HIS A 81 3.873 -12.411 13.206 1.00 32.20 H new ATOM 0 HD1 HIS A 81 2.931 -12.031 10.401 1.00 13.53 H new ATOM 0 HD2 HIS A 81 2.585 -9.028 13.297 1.00 0.35 H new ATOM 0 HE1 HIS A 81 1.077 -10.486 9.618 1.00 43.44 H new ATOM 1256 N LEU A 82 7.141 -11.410 14.261 1.00 52.02 N ATOM 1257 CA LEU A 82 8.238 -12.224 14.778 1.00 15.11 C ATOM 1258 C LEU A 82 8.605 -11.829 16.212 1.00 65.10 C ATOM 1259 O LEU A 82 9.424 -12.495 16.854 1.00 73.43 O ATOM 1260 CB LEU A 82 9.457 -12.084 13.853 1.00 12.10 C ATOM 1261 CG LEU A 82 9.217 -12.494 12.390 1.00 72.24 C ATOM 1262 CD1 LEU A 82 10.480 -12.295 11.556 1.00 41.43 C ATOM 1263 CD2 LEU A 82 8.729 -13.940 12.302 1.00 53.35 C ATOM 0 H LEU A 82 7.423 -10.747 13.539 1.00 52.02 H new ATOM 0 HA LEU A 82 7.914 -13.265 14.801 1.00 15.11 H new ATOM 0 HB2 LEU A 82 9.792 -11.047 13.873 1.00 12.10 H new ATOM 0 HB3 LEU A 82 10.270 -12.689 14.255 1.00 12.10 H new ATOM 0 HG LEU A 82 8.438 -11.850 11.983 1.00 72.24 H new ATOM 0 HD11 LEU A 82 10.286 -12.592 10.525 1.00 41.43 H new ATOM 0 HD12 LEU A 82 10.772 -11.245 11.583 1.00 41.43 H new ATOM 0 HD13 LEU A 82 11.285 -12.906 11.964 1.00 41.43 H new ATOM 0 HD21 LEU A 82 8.566 -14.206 11.258 1.00 53.35 H new ATOM 0 HD22 LEU A 82 9.478 -14.604 12.733 1.00 53.35 H new ATOM 0 HD23 LEU A 82 7.794 -14.042 12.852 1.00 53.35 H new ATOM 1275 N ASN A 83 7.994 -10.747 16.703 1.00 23.21 N ATOM 1276 CA ASN A 83 8.269 -10.232 18.047 1.00 34.30 C ATOM 1277 C ASN A 83 8.083 -11.312 19.117 1.00 64.54 C ATOM 1278 O ASN A 83 7.022 -11.929 19.211 1.00 24.35 O ATOM 1279 CB ASN A 83 7.372 -9.017 18.363 1.00 5.33 C ATOM 1280 CG ASN A 83 5.887 -9.348 18.530 1.00 13.22 C ATOM 1281 OD1 ASN A 83 5.402 -10.373 17.843 1.00 20.11 O flip ATOM 1282 ND2 ASN A 83 5.173 -8.671 19.274 1.00 42.20 N flip ATOM 0 H ASN A 83 7.301 -10.207 16.185 1.00 23.21 H new ATOM 0 HA ASN A 83 9.312 -9.917 18.063 1.00 34.30 H new ATOM 0 HB2 ASN A 83 7.731 -8.545 19.278 1.00 5.33 H new ATOM 0 HB3 ASN A 83 7.480 -8.284 17.563 1.00 5.33 H new ATOM 0 HD21 ASN A 83 5.573 -7.888 19.791 1.00 42.20 H new ATOM 0 HD22 ASN A 83 4.183 -8.894 19.372 1.00 42.20 H new ATOM 1289 N GLN A 84 9.138 -11.547 19.895 1.00 54.12 N ATOM 1290 CA GLN A 84 9.093 -12.465 21.036 1.00 32.44 C ATOM 1291 C GLN A 84 8.535 -13.833 20.632 1.00 35.52 C ATOM 1292 O GLN A 84 7.932 -14.533 21.452 1.00 62.41 O ATOM 1293 CB GLN A 84 8.249 -11.852 22.166 1.00 74.55 C ATOM 1294 CG GLN A 84 8.712 -10.460 22.586 1.00 74.02 C ATOM 1295 CD GLN A 84 10.147 -10.439 23.092 1.00 54.40 C ATOM 1296 OE1 GLN A 84 10.631 -11.411 23.674 1.00 71.43 O ATOM 1297 NE2 GLN A 84 10.838 -9.336 22.857 1.00 3.04 N ATOM 0 H GLN A 84 10.048 -11.108 19.754 1.00 54.12 H new ATOM 0 HA GLN A 84 10.112 -12.617 21.391 1.00 32.44 H new ATOM 0 HB2 GLN A 84 7.209 -11.798 21.844 1.00 74.55 H new ATOM 0 HB3 GLN A 84 8.281 -12.513 23.032 1.00 74.55 H new ATOM 0 HG2 GLN A 84 8.622 -9.782 21.738 1.00 74.02 H new ATOM 0 HG3 GLN A 84 8.051 -10.084 23.367 1.00 74.02 H new ATOM 0 HE21 GLN A 84 10.400 -8.553 22.372 1.00 3.04 H new ATOM 0 HE22 GLN A 84 11.809 -9.268 23.161 1.00 3.04 H new ATOM 1306 N HIS A 85 8.771 -14.203 19.367 1.00 50.13 N ATOM 1307 CA HIS A 85 8.276 -15.460 18.788 1.00 23.14 C ATOM 1308 C HIS A 85 8.312 -16.609 19.800 1.00 22.41 C ATOM 1309 O HIS A 85 9.376 -17.127 20.141 1.00 2.45 O ATOM 1310 CB HIS A 85 9.079 -15.816 17.527 1.00 52.30 C ATOM 1311 CG HIS A 85 10.565 -15.894 17.737 1.00 34.32 C ATOM 1312 ND1 HIS A 85 11.385 -14.784 17.750 1.00 73.50 N ATOM 1313 CD2 HIS A 85 11.380 -16.959 17.930 1.00 52.32 C ATOM 1314 CE1 HIS A 85 12.635 -15.165 17.939 1.00 52.11 C ATOM 1315 NE2 HIS A 85 12.659 -16.480 18.052 1.00 52.35 N ATOM 0 H HIS A 85 9.313 -13.637 18.713 1.00 50.13 H new ATOM 0 HA HIS A 85 7.232 -15.310 18.511 1.00 23.14 H new ATOM 0 HB2 HIS A 85 8.728 -16.775 17.146 1.00 52.30 H new ATOM 0 HB3 HIS A 85 8.872 -15.072 16.757 1.00 52.30 H new ATOM 0 HD1 HIS A 85 11.074 -13.820 17.632 1.00 73.50 H new ATOM 0 HD2 HIS A 85 11.078 -17.995 17.979 1.00 52.32 H new ATOM 0 HE1 HIS A 85 13.493 -14.511 17.992 1.00 52.11 H new ATOM 1324 N SER A 86 7.129 -16.982 20.285 1.00 2.41 N ATOM 1325 CA SER A 86 6.996 -17.962 21.357 1.00 53.33 C ATOM 1326 C SER A 86 6.719 -19.367 20.810 1.00 3.22 C ATOM 1327 O SER A 86 5.876 -19.543 19.924 1.00 51.12 O ATOM 1328 CB SER A 86 5.857 -17.533 22.291 1.00 53.13 C ATOM 1329 OG SER A 86 5.985 -16.168 22.664 1.00 2.23 O ATOM 0 H SER A 86 6.240 -16.614 19.946 1.00 2.41 H new ATOM 0 HA SER A 86 7.938 -18.002 21.904 1.00 53.33 H new ATOM 0 HB2 SER A 86 4.899 -17.689 21.796 1.00 53.13 H new ATOM 0 HB3 SER A 86 5.860 -18.158 23.184 1.00 53.13 H new ATOM 0 HG SER A 86 6.794 -15.792 22.257 1.00 2.23 H new ATOM 1335 N GLY A 87 7.449 -20.351 21.339 1.00 74.42 N ATOM 1336 CA GLY A 87 7.189 -21.754 21.045 1.00 31.33 C ATOM 1337 C GLY A 87 7.189 -22.075 19.558 1.00 32.32 C ATOM 1338 O GLY A 87 8.172 -21.803 18.867 1.00 53.13 O ATOM 0 H GLY A 87 8.229 -20.196 21.977 1.00 74.42 H new ATOM 0 HA2 GLY A 87 7.943 -22.366 21.540 1.00 31.33 H new ATOM 0 HA3 GLY A 87 6.224 -22.032 21.468 1.00 31.33 H new ATOM 1342 N PRO A 88 6.082 -22.643 19.030 1.00 70.20 N ATOM 1343 CA PRO A 88 5.977 -23.033 17.613 1.00 73.53 C ATOM 1344 C PRO A 88 6.102 -21.838 16.668 1.00 3.41 C ATOM 1345 O PRO A 88 6.242 -22.003 15.456 1.00 45.03 O ATOM 1346 CB PRO A 88 4.575 -23.666 17.507 1.00 5.34 C ATOM 1347 CG PRO A 88 4.191 -23.997 18.912 1.00 11.52 C ATOM 1348 CD PRO A 88 4.845 -22.950 19.770 1.00 42.10 C ATOM 0 HA PRO A 88 6.781 -23.709 17.321 1.00 73.53 H new ATOM 0 HB2 PRO A 88 3.863 -22.975 17.056 1.00 5.34 H new ATOM 0 HB3 PRO A 88 4.592 -24.559 16.882 1.00 5.34 H new ATOM 0 HG2 PRO A 88 3.108 -23.984 19.035 1.00 11.52 H new ATOM 0 HG3 PRO A 88 4.531 -24.996 19.186 1.00 11.52 H new ATOM 0 HD2 PRO A 88 4.213 -22.069 19.884 1.00 42.10 H new ATOM 0 HD3 PRO A 88 5.056 -23.323 20.772 1.00 42.10 H new ATOM 1356 N GLY A 89 6.051 -20.636 17.232 1.00 45.11 N ATOM 1357 CA GLY A 89 6.149 -19.428 16.438 1.00 73.43 C ATOM 1358 C GLY A 89 4.817 -18.720 16.326 1.00 22.31 C ATOM 1359 O GLY A 89 3.845 -19.286 15.816 1.00 11.13 O ATOM 0 H GLY A 89 5.943 -20.478 18.234 1.00 45.11 H new ATOM 0 HA2 GLY A 89 6.881 -18.756 16.887 1.00 73.43 H new ATOM 0 HA3 GLY A 89 6.513 -19.677 15.441 1.00 73.43 H new ATOM 1363 N ILE A 90 4.762 -17.488 16.815 1.00 5.14 N ATOM 1364 CA ILE A 90 3.547 -16.691 16.754 1.00 21.42 C ATOM 1365 C ILE A 90 3.567 -15.796 15.516 1.00 23.35 C ATOM 1366 O ILE A 90 4.241 -14.766 15.481 1.00 33.33 O ATOM 1367 CB ILE A 90 3.346 -15.841 18.044 1.00 44.04 C ATOM 1368 CG1 ILE A 90 4.605 -15.010 18.364 1.00 14.02 C ATOM 1369 CG2 ILE A 90 2.986 -16.747 19.223 1.00 43.22 C ATOM 1370 CD1 ILE A 90 4.475 -14.141 19.602 1.00 22.10 C ATOM 0 H ILE A 90 5.550 -17.018 17.260 1.00 5.14 H new ATOM 0 HA ILE A 90 2.702 -17.376 16.684 1.00 21.42 H new ATOM 0 HB ILE A 90 2.523 -15.147 17.870 1.00 44.04 H new ATOM 0 HG12 ILE A 90 5.450 -15.686 18.495 1.00 14.02 H new ATOM 0 HG13 ILE A 90 4.835 -14.374 17.509 1.00 14.02 H new ATOM 0 HG21 ILE A 90 2.848 -16.141 20.119 1.00 43.22 H new ATOM 0 HG22 ILE A 90 2.063 -17.283 19.002 1.00 43.22 H new ATOM 0 HG23 ILE A 90 3.790 -17.464 19.390 1.00 43.22 H new ATOM 0 HD11 ILE A 90 5.402 -13.589 19.758 1.00 22.10 H new ATOM 0 HD12 ILE A 90 3.652 -13.438 19.469 1.00 22.10 H new ATOM 0 HD13 ILE A 90 4.277 -14.771 20.469 1.00 22.10 H new ATOM 1382 N ASP A 91 2.855 -16.224 14.482 1.00 1.23 N ATOM 1383 CA ASP A 91 2.794 -15.481 13.227 1.00 74.51 C ATOM 1384 C ASP A 91 1.427 -15.645 12.577 1.00 2.04 C ATOM 1385 O ASP A 91 0.712 -16.612 12.845 1.00 62.54 O ATOM 1386 CB ASP A 91 3.903 -15.937 12.262 1.00 44.12 C ATOM 1387 CG ASP A 91 3.796 -15.275 10.893 1.00 15.41 C ATOM 1388 OD1 ASP A 91 3.842 -14.028 10.824 1.00 43.31 O ATOM 1389 OD2 ASP A 91 3.657 -15.996 9.880 1.00 24.45 O ATOM 0 H ASP A 91 2.309 -17.085 14.486 1.00 1.23 H new ATOM 0 HA ASP A 91 2.951 -14.426 13.451 1.00 74.51 H new ATOM 0 HB2 ASP A 91 4.876 -15.708 12.697 1.00 44.12 H new ATOM 0 HB3 ASP A 91 3.854 -17.019 12.143 1.00 44.12 H new ATOM 1394 N TYR A 92 1.080 -14.683 11.739 1.00 33.23 N ATOM 1395 CA TYR A 92 -0.188 -14.670 11.027 1.00 55.10 C ATOM 1396 C TYR A 92 -0.081 -13.706 9.853 1.00 54.42 C ATOM 1397 O TYR A 92 1.003 -13.182 9.581 1.00 72.11 O ATOM 1398 CB TYR A 92 -1.343 -14.275 11.967 1.00 14.33 C ATOM 1399 CG TYR A 92 -1.151 -12.947 12.687 1.00 5.32 C ATOM 1400 CD1 TYR A 92 -0.275 -12.834 13.764 1.00 74.10 C ATOM 1401 CD2 TYR A 92 -1.856 -11.813 12.298 1.00 64.52 C ATOM 1402 CE1 TYR A 92 -0.107 -11.634 14.426 1.00 61.43 C ATOM 1403 CE2 TYR A 92 -1.693 -10.609 12.957 1.00 43.34 C ATOM 1404 CZ TYR A 92 -0.819 -10.525 14.018 1.00 34.30 C ATOM 1405 OH TYR A 92 -0.653 -9.328 14.675 1.00 4.12 O ATOM 0 H TYR A 92 1.676 -13.881 11.531 1.00 33.23 H new ATOM 0 HA TYR A 92 -0.407 -15.670 10.653 1.00 55.10 H new ATOM 0 HB2 TYR A 92 -2.265 -14.229 11.388 1.00 14.33 H new ATOM 0 HB3 TYR A 92 -1.473 -15.061 12.711 1.00 14.33 H new ATOM 0 HD1 TYR A 92 0.283 -13.701 14.087 1.00 74.10 H new ATOM 0 HD2 TYR A 92 -2.543 -11.874 11.467 1.00 64.52 H new ATOM 0 HE1 TYR A 92 0.578 -11.564 15.258 1.00 61.43 H new ATOM 0 HE2 TYR A 92 -2.248 -9.738 12.641 1.00 43.34 H new ATOM 0 HH TYR A 92 -1.225 -8.647 14.264 1.00 4.12 H new ATOM 1415 N ALA A 93 -1.181 -13.474 9.158 1.00 11.13 N ATOM 1416 CA ALA A 93 -1.178 -12.576 8.011 1.00 53.10 C ATOM 1417 C ALA A 93 -1.645 -11.182 8.426 1.00 2.23 C ATOM 1418 O ALA A 93 -1.307 -10.706 9.513 1.00 73.52 O ATOM 1419 CB ALA A 93 -2.036 -13.152 6.893 1.00 75.12 C ATOM 0 H ALA A 93 -2.087 -13.893 9.366 1.00 11.13 H new ATOM 0 HA ALA A 93 -0.161 -12.480 7.632 1.00 53.10 H new ATOM 0 HB1 ALA A 93 -2.027 -12.473 6.041 1.00 75.12 H new ATOM 0 HB2 ALA A 93 -1.637 -14.120 6.590 1.00 75.12 H new ATOM 0 HB3 ALA A 93 -3.059 -13.276 7.247 1.00 75.12 H new ATOM 1425 N VAL A 94 -2.401 -10.524 7.560 1.00 65.13 N ATOM 1426 CA VAL A 94 -2.840 -9.157 7.800 1.00 73.34 C ATOM 1427 C VAL A 94 -4.368 -9.074 7.930 1.00 64.21 C ATOM 1428 O VAL A 94 -5.067 -8.443 7.129 1.00 24.50 O ATOM 1429 CB VAL A 94 -2.286 -8.236 6.690 1.00 52.51 C ATOM 1430 CG1 VAL A 94 -2.628 -8.776 5.300 1.00 75.41 C ATOM 1431 CG2 VAL A 94 -2.750 -6.787 6.865 1.00 41.25 C ATOM 0 H VAL A 94 -2.726 -10.919 6.677 1.00 65.13 H new ATOM 0 HA VAL A 94 -2.440 -8.812 8.754 1.00 73.34 H new ATOM 0 HB VAL A 94 -1.200 -8.232 6.783 1.00 52.51 H new ATOM 0 HG11 VAL A 94 -2.225 -8.106 4.540 1.00 75.41 H new ATOM 0 HG12 VAL A 94 -2.193 -9.768 5.178 1.00 75.41 H new ATOM 0 HG13 VAL A 94 -3.711 -8.839 5.190 1.00 75.41 H new ATOM 0 HG21 VAL A 94 -2.338 -6.174 6.064 1.00 41.25 H new ATOM 0 HG22 VAL A 94 -3.839 -6.747 6.829 1.00 41.25 H new ATOM 0 HG23 VAL A 94 -2.404 -6.408 7.827 1.00 41.25 H new ATOM 1441 N ARG A 95 -4.865 -9.782 8.932 1.00 64.15 N ATOM 1442 CA ARG A 95 -6.270 -9.713 9.352 1.00 53.51 C ATOM 1443 C ARG A 95 -6.746 -8.258 9.514 1.00 63.34 C ATOM 1444 O ARG A 95 -7.656 -7.837 8.763 1.00 22.32 O ATOM 1445 CB ARG A 95 -6.463 -10.499 10.667 1.00 22.34 C ATOM 1446 CG ARG A 95 -5.494 -10.097 11.783 1.00 23.40 C ATOM 1447 CD ARG A 95 -5.336 -11.188 12.839 1.00 44.34 C ATOM 1448 NE ARG A 95 -6.616 -11.618 13.407 1.00 74.54 N ATOM 1449 CZ ARG A 95 -7.049 -11.284 14.626 1.00 11.51 C ATOM 1450 NH1 ARG A 95 -6.343 -10.456 15.388 1.00 11.43 N ATOM 1451 NH2 ARG A 95 -8.198 -11.774 15.076 1.00 42.22 N ATOM 1452 OXT ARG A 95 -6.203 -7.536 10.372 1.00 0.00 O ATOM 0 H ARG A 95 -4.305 -10.429 9.487 1.00 64.15 H new ATOM 0 HA ARG A 95 -6.879 -10.167 8.570 1.00 53.51 H new ATOM 0 HB2 ARG A 95 -7.485 -10.354 11.018 1.00 22.34 H new ATOM 0 HB3 ARG A 95 -6.344 -11.563 10.463 1.00 22.34 H new ATOM 0 HG2 ARG A 95 -4.520 -9.871 11.350 1.00 23.40 H new ATOM 0 HG3 ARG A 95 -5.851 -9.184 12.259 1.00 23.40 H new ATOM 0 HD2 ARG A 95 -4.834 -12.047 12.395 1.00 44.34 H new ATOM 0 HD3 ARG A 95 -4.693 -10.822 13.640 1.00 44.34 H new ATOM 0 HE ARG A 95 -7.216 -12.211 12.834 1.00 74.54 H new ATOM 0 HH11 ARG A 95 -5.464 -10.070 15.044 1.00 11.43 H new ATOM 0 HH12 ARG A 95 -6.680 -10.206 16.318 1.00 11.43 H new ATOM 0 HH21 ARG A 95 -8.748 -12.404 14.491 1.00 42.22 H new ATOM 0 HH22 ARG A 95 -8.531 -11.521 16.006 1.00 42.22 H new TER 1466 ARG A 95