USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 751 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 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 95 ASN : amide:sc= -0.0016 X(o=-0.0016,f=-0.047) USER MOD Set 2.1: A 88 SER OG : rot 180:sc= 0.0011 USER MOD Set 2.2: A 91 LYS NZ :NH3+ -179:sc=0.000223 (180deg=0) USER MOD Set 3.1: A 74 ASN : amide:sc= -2.83! C(o=-5.2!,f=-8.9!) USER MOD Set 3.2: A 96 GLN : amide:sc= -2.35 K(o=-5.2,f=-11!) USER MOD Set 4.1: A 46 THR OG1 : rot 130:sc= -2.08 USER MOD Set 4.2: A 69 GLN : amide:sc= -7.34 K(o=-9.4,f=-14!) USER MOD Set 5.1: A 51 ASN : amide:sc= -0.749 K(o=-1.5,f=-4.9!) USER MOD Set 5.2: B -1 TYR OH : rot 161:sc= -0.755 USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= 0.128 (180deg=0.0275) USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= -6.3! (180deg=-6.49!) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0123 F(o=-0.61,f=-0.012) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 61:sc= 1.25 USER MOD Single : A 42 SER OG : rot 91:sc= -0.278 USER MOD Single : A 52 MET CE :methyl 158:sc= -3.23 (180deg=-3.9!) USER MOD Single : A 53 MET CE :methyl 179:sc= -3.84 (180deg=-3.91!) USER MOD Single : A 54 HIS : no HD1:sc= -1.58 X(o=-1.6,f=-1.6) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 110:sc= -0.615 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.24) USER MOD Single : A 71 MET CE :methyl -142:sc= -10.6! (180deg=-15.6!) USER MOD Single : A 72 SER OG : rot 145:sc= -2.5 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 86 CYS SG : rot 80:sc= -2.65! USER MOD Single : A 87 GLN : amide:sc= -5.09! C(o=-5.1!,f=-6!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 145:sc= 0.299 (180deg=-0.00485) USER MOD Single : A 102 ASN :FLIP amide:sc= -0.669 F(o=-3.6,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -15.524 -9.287 -8.794 1.00 0.00 N ATOM 2 CA GLU A 17 -14.632 -9.010 -9.914 1.00 0.00 C ATOM 3 C GLU A 17 -13.650 -7.893 -9.573 1.00 0.00 C ATOM 4 O GLU A 17 -14.037 -6.849 -9.049 1.00 0.00 O ATOM 5 CB GLU A 17 -15.441 -8.628 -11.155 1.00 0.00 C ATOM 6 CG GLU A 17 -14.649 -8.722 -12.450 1.00 0.00 C ATOM 7 CD GLU A 17 -14.846 -10.050 -13.157 1.00 0.00 C ATOM 8 OE1 GLU A 17 -15.262 -11.021 -12.490 1.00 0.00 O ATOM 9 OE2 GLU A 17 -14.581 -10.118 -14.375 1.00 0.00 O ATOM 0 HA GLU A 17 -14.063 -9.917 -10.120 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.313 -9.278 -11.224 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.811 -7.609 -11.038 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.949 -7.912 -13.115 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.590 -8.582 -12.235 1.00 0.00 H new ATOM 16 N PHE A 18 -12.375 -8.121 -9.877 1.00 0.00 N ATOM 17 CA PHE A 18 -11.332 -7.137 -9.606 1.00 0.00 C ATOM 18 C PHE A 18 -11.586 -5.850 -10.381 1.00 0.00 C ATOM 19 O PHE A 18 -12.140 -5.876 -11.479 1.00 0.00 O ATOM 20 CB PHE A 18 -9.963 -7.699 -9.987 1.00 0.00 C ATOM 21 CG PHE A 18 -9.222 -8.308 -8.835 1.00 0.00 C ATOM 22 CD1 PHE A 18 -8.433 -7.524 -8.009 1.00 0.00 C ATOM 23 CD2 PHE A 18 -9.311 -9.665 -8.583 1.00 0.00 C ATOM 24 CE1 PHE A 18 -7.749 -8.086 -6.949 1.00 0.00 C ATOM 25 CE2 PHE A 18 -8.628 -10.234 -7.526 1.00 0.00 C ATOM 26 CZ PHE A 18 -7.845 -9.444 -6.707 1.00 0.00 C ATOM 0 H PHE A 18 -12.039 -8.980 -10.312 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.348 -6.914 -8.539 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -10.092 -8.453 -10.764 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.358 -6.900 -10.416 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -8.352 -6.463 -8.196 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -9.922 -10.287 -9.220 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.139 -7.465 -6.309 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.706 -11.295 -7.340 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.309 -9.886 -5.880 1.00 0.00 H new ATOM 36 N LYS A 19 -11.173 -4.724 -9.808 1.00 0.00 N ATOM 37 CA LYS A 19 -11.357 -3.439 -10.461 1.00 0.00 C ATOM 38 C LYS A 19 -10.581 -2.333 -9.761 1.00 0.00 C ATOM 39 O LYS A 19 -10.718 -2.123 -8.555 1.00 0.00 O ATOM 40 CB LYS A 19 -12.841 -3.077 -10.510 1.00 0.00 C ATOM 41 CG LYS A 19 -13.518 -3.127 -9.151 1.00 0.00 C ATOM 42 CD LYS A 19 -13.744 -1.733 -8.588 1.00 0.00 C ATOM 43 CE LYS A 19 -14.847 -1.001 -9.335 1.00 0.00 C ATOM 44 NZ LYS A 19 -14.676 0.477 -9.269 1.00 0.00 N ATOM 0 H LYS A 19 -10.712 -4.678 -8.899 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.970 -3.531 -11.476 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.950 -2.075 -10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.352 -3.760 -11.188 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.473 -3.644 -9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.905 -3.705 -8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.004 -1.804 -7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.819 -1.160 -8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.853 -1.320 -10.377 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.814 -1.274 -8.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.173 0.920 -10.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.071 0.833 -8.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.664 0.712 -9.318 1.00 0.00 H new ATOM 58 N ASP A 20 -9.776 -1.617 -10.536 1.00 0.00 N ATOM 59 CA ASP A 20 -8.984 -0.512 -10.010 1.00 0.00 C ATOM 60 C ASP A 20 -9.901 0.629 -9.586 1.00 0.00 C ATOM 61 O ASP A 20 -10.813 1.011 -10.319 1.00 0.00 O ATOM 62 CB ASP A 20 -7.984 -0.018 -11.059 1.00 0.00 C ATOM 63 CG ASP A 20 -6.584 0.135 -10.498 1.00 0.00 C ATOM 64 OD1 ASP A 20 -6.368 1.057 -9.683 1.00 0.00 O ATOM 65 OD2 ASP A 20 -5.703 -0.667 -10.871 1.00 0.00 O ATOM 0 H ASP A 20 -9.654 -1.783 -11.535 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.428 -0.866 -9.142 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.963 -0.718 -11.894 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.320 0.940 -11.454 1.00 0.00 H new ATOM 70 N VAL A 21 -9.660 1.158 -8.396 1.00 0.00 N ATOM 71 CA VAL A 21 -10.469 2.246 -7.864 1.00 0.00 C ATOM 72 C VAL A 21 -9.642 3.506 -7.676 1.00 0.00 C ATOM 73 O VAL A 21 -8.767 3.562 -6.813 1.00 0.00 O ATOM 74 CB VAL A 21 -11.108 1.869 -6.514 1.00 0.00 C ATOM 75 CG1 VAL A 21 -12.120 2.922 -6.089 1.00 0.00 C ATOM 76 CG2 VAL A 21 -11.756 0.494 -6.596 1.00 0.00 C ATOM 0 H VAL A 21 -8.909 0.851 -7.778 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.257 2.432 -8.594 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.323 1.830 -5.759 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.561 2.638 -5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.621 3.886 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.904 2.998 -6.842 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.202 0.244 -5.633 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.530 0.502 -7.364 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.001 -0.250 -6.850 1.00 0.00 H new ATOM 86 N PHE A 22 -9.924 4.518 -8.485 1.00 0.00 N ATOM 87 CA PHE A 22 -9.203 5.774 -8.394 1.00 0.00 C ATOM 88 C PHE A 22 -10.024 6.821 -7.653 1.00 0.00 C ATOM 89 O PHE A 22 -11.088 7.234 -8.113 1.00 0.00 O ATOM 90 CB PHE A 22 -8.836 6.287 -9.788 1.00 0.00 C ATOM 91 CG PHE A 22 -7.412 6.755 -9.899 1.00 0.00 C ATOM 92 CD1 PHE A 22 -6.662 7.033 -8.763 1.00 0.00 C ATOM 93 CD2 PHE A 22 -6.817 6.911 -11.141 1.00 0.00 C ATOM 94 CE1 PHE A 22 -5.359 7.454 -8.866 1.00 0.00 C ATOM 95 CE2 PHE A 22 -5.508 7.336 -11.245 1.00 0.00 C ATOM 96 CZ PHE A 22 -4.782 7.605 -10.101 1.00 0.00 C ATOM 0 H PHE A 22 -10.644 4.492 -9.207 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.286 5.593 -7.833 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.007 5.493 -10.515 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.502 7.109 -10.051 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.109 6.917 -7.787 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.383 6.698 -12.036 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.788 7.666 -7.974 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.053 7.458 -12.217 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.757 7.935 -10.179 1.00 0.00 H new ATOM 106 N ILE A 23 -9.519 7.247 -6.501 1.00 0.00 N ATOM 107 CA ILE A 23 -10.202 8.248 -5.695 1.00 0.00 C ATOM 108 C ILE A 23 -9.382 9.531 -5.613 1.00 0.00 C ATOM 109 O ILE A 23 -8.440 9.634 -4.826 1.00 0.00 O ATOM 110 CB ILE A 23 -10.482 7.717 -4.273 1.00 0.00 C ATOM 111 CG1 ILE A 23 -11.279 6.413 -4.351 1.00 0.00 C ATOM 112 CG2 ILE A 23 -11.225 8.758 -3.443 1.00 0.00 C ATOM 113 CD1 ILE A 23 -12.746 6.612 -4.679 1.00 0.00 C ATOM 0 H ILE A 23 -8.640 6.914 -6.106 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.153 8.467 -6.180 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.531 7.516 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.831 5.769 -5.108 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.197 5.890 -3.398 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.412 8.362 -2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.621 9.662 -3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.175 8.995 -3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.245 5.644 -4.717 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.210 7.229 -3.910 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.839 7.106 -5.646 1.00 0.00 H new ATOM 125 N GLU A 24 -9.751 10.507 -6.436 1.00 0.00 N ATOM 126 CA GLU A 24 -9.064 11.792 -6.470 1.00 0.00 C ATOM 127 C GLU A 24 -9.688 12.753 -5.464 1.00 0.00 C ATOM 128 O GLU A 24 -10.905 12.947 -5.454 1.00 0.00 O ATOM 129 CB GLU A 24 -9.132 12.391 -7.878 1.00 0.00 C ATOM 130 CG GLU A 24 -7.789 12.864 -8.408 1.00 0.00 C ATOM 131 CD GLU A 24 -7.844 14.273 -8.966 1.00 0.00 C ATOM 132 OE1 GLU A 24 -8.601 15.100 -8.416 1.00 0.00 O ATOM 133 OE2 GLU A 24 -7.129 14.550 -9.952 1.00 0.00 O ATOM 0 H GLU A 24 -10.528 10.431 -7.093 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.019 11.634 -6.203 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.539 11.645 -8.561 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.826 13.231 -7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.052 12.824 -7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.450 12.182 -9.187 1.00 0.00 H new ATOM 140 N LYS A 25 -8.858 13.348 -4.617 1.00 0.00 N ATOM 141 CA LYS A 25 -9.347 14.282 -3.610 1.00 0.00 C ATOM 142 C LYS A 25 -8.243 15.228 -3.148 1.00 0.00 C ATOM 143 O LYS A 25 -7.185 15.316 -3.770 1.00 0.00 O ATOM 144 CB LYS A 25 -9.924 13.515 -2.415 1.00 0.00 C ATOM 145 CG LYS A 25 -8.875 12.824 -1.556 1.00 0.00 C ATOM 146 CD LYS A 25 -8.595 11.411 -2.045 1.00 0.00 C ATOM 147 CE LYS A 25 -7.890 10.583 -0.982 1.00 0.00 C ATOM 148 NZ LYS A 25 -8.602 9.305 -0.712 1.00 0.00 N ATOM 0 H LYS A 25 -7.849 13.202 -4.606 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.135 14.884 -4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.490 14.207 -1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.628 12.768 -2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.952 13.404 -1.570 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.215 12.791 -0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.532 10.928 -2.322 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.980 11.451 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.871 10.370 -1.305 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.818 11.160 -0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.038 8.725 -0.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.528 9.507 -0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.738 8.788 -1.604 1.00 0.00 H new ATOM 162 N GLN A 26 -8.502 15.929 -2.053 1.00 0.00 N ATOM 163 CA GLN A 26 -7.537 16.866 -1.494 1.00 0.00 C ATOM 164 C GLN A 26 -7.081 16.404 -0.116 1.00 0.00 C ATOM 165 O GLN A 26 -7.678 15.506 0.477 1.00 0.00 O ATOM 166 CB GLN A 26 -8.146 18.267 -1.401 1.00 0.00 C ATOM 167 CG GLN A 26 -8.031 19.066 -2.689 1.00 0.00 C ATOM 168 CD GLN A 26 -9.379 19.368 -3.313 1.00 0.00 C ATOM 169 OE1 GLN A 26 -10.242 18.360 -3.373 1.00 0.00 O flip ATOM 170 NE2 GLN A 26 -9.643 20.493 -3.736 1.00 0.00 N flip ATOM 0 H GLN A 26 -9.377 15.866 -1.532 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.671 16.901 -2.156 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.198 18.180 -1.130 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.654 18.815 -0.598 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.512 20.002 -2.486 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.421 18.512 -3.402 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.950 21.238 -3.670 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.555 20.680 -4.153 1.00 0.00 H new ATOM 179 N LYS A 27 -6.021 17.020 0.391 1.00 0.00 N ATOM 180 CA LYS A 27 -5.491 16.667 1.703 1.00 0.00 C ATOM 181 C LYS A 27 -6.524 16.925 2.788 1.00 0.00 C ATOM 182 O LYS A 27 -7.448 17.719 2.607 1.00 0.00 O ATOM 183 CB LYS A 27 -4.215 17.459 1.998 1.00 0.00 C ATOM 184 CG LYS A 27 -3.305 17.614 0.791 1.00 0.00 C ATOM 185 CD LYS A 27 -1.840 17.477 1.173 1.00 0.00 C ATOM 186 CE LYS A 27 -1.062 16.704 0.122 1.00 0.00 C ATOM 187 NZ LYS A 27 -0.283 17.607 -0.770 1.00 0.00 N ATOM 0 H LYS A 27 -5.512 17.765 -0.084 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.252 15.604 1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.488 18.448 2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.665 16.962 2.797 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.559 16.861 0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.472 18.588 0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.401 18.467 1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.759 16.969 2.134 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.384 16.006 0.613 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.753 16.110 -0.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.233 17.040 -1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.932 18.257 -1.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.394 18.156 -0.203 1.00 0.00 H new ATOM 201 N GLY A 28 -6.366 16.246 3.916 1.00 0.00 N ATOM 202 CA GLY A 28 -7.295 16.412 5.014 1.00 0.00 C ATOM 203 C GLY A 28 -8.646 15.782 4.733 1.00 0.00 C ATOM 204 O GLY A 28 -9.604 16.001 5.476 1.00 0.00 O ATOM 0 H GLY A 28 -5.610 15.583 4.090 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.871 15.968 5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.428 17.475 5.215 1.00 0.00 H new ATOM 208 N GLU A 29 -8.728 14.989 3.664 1.00 0.00 N ATOM 209 CA GLU A 29 -9.969 14.322 3.305 1.00 0.00 C ATOM 210 C GLU A 29 -9.752 12.823 3.212 1.00 0.00 C ATOM 211 O GLU A 29 -10.396 12.140 2.416 1.00 0.00 O ATOM 212 CB GLU A 29 -10.512 14.868 1.982 1.00 0.00 C ATOM 213 CG GLU A 29 -11.600 15.915 2.157 1.00 0.00 C ATOM 214 CD GLU A 29 -12.982 15.377 1.845 1.00 0.00 C ATOM 215 OE1 GLU A 29 -13.584 14.735 2.732 1.00 0.00 O ATOM 216 OE2 GLU A 29 -13.463 15.596 0.713 1.00 0.00 O ATOM 0 H GLU A 29 -7.948 14.796 3.036 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.706 14.520 4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.690 15.302 1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.907 14.041 1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.581 16.285 3.182 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.390 16.764 1.507 1.00 0.00 H new ATOM 223 N ILE A 30 -8.840 12.334 4.052 1.00 0.00 N ATOM 224 CA ILE A 30 -8.482 10.911 4.134 1.00 0.00 C ATOM 225 C ILE A 30 -9.063 10.079 2.993 1.00 0.00 C ATOM 226 O ILE A 30 -8.361 9.721 2.047 1.00 0.00 O ATOM 227 CB ILE A 30 -8.934 10.296 5.476 1.00 0.00 C ATOM 228 CG1 ILE A 30 -10.021 11.147 6.126 1.00 0.00 C ATOM 229 CG2 ILE A 30 -7.750 10.139 6.418 1.00 0.00 C ATOM 230 CD1 ILE A 30 -10.923 10.352 7.036 1.00 0.00 C ATOM 0 H ILE A 30 -8.320 12.920 4.705 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.395 10.881 4.055 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.349 9.309 5.272 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.554 11.950 6.697 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.622 11.617 5.347 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.088 9.704 7.358 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.007 9.485 5.962 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.305 11.116 6.609 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.676 11.011 7.469 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.415 9.566 6.464 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.331 9.904 7.834 1.00 0.00 H new ATOM 242 N LEU A 31 -10.348 9.776 3.103 1.00 0.00 N ATOM 243 CA LEU A 31 -11.054 8.982 2.103 1.00 0.00 C ATOM 244 C LEU A 31 -12.491 8.755 2.549 1.00 0.00 C ATOM 245 O LEU A 31 -13.429 8.880 1.761 1.00 0.00 O ATOM 246 CB LEU A 31 -10.352 7.638 1.889 1.00 0.00 C ATOM 247 CG LEU A 31 -10.988 6.733 0.833 1.00 0.00 C ATOM 248 CD1 LEU A 31 -10.915 7.384 -0.540 1.00 0.00 C ATOM 249 CD2 LEU A 31 -10.305 5.374 0.820 1.00 0.00 C ATOM 0 H LEU A 31 -10.931 10.072 3.886 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.052 9.526 1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.317 7.828 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.330 7.102 2.838 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.038 6.588 1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.372 6.726 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.448 8.334 -0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.872 7.558 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.769 4.741 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.247 5.501 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.409 4.905 1.799 1.00 0.00 H new ATOM 261 N GLY A 32 -12.652 8.441 3.830 1.00 0.00 N ATOM 262 CA GLY A 32 -13.973 8.218 4.386 1.00 0.00 C ATOM 263 C GLY A 32 -14.498 6.813 4.165 1.00 0.00 C ATOM 264 O GLY A 32 -15.512 6.624 3.494 1.00 0.00 O ATOM 0 H GLY A 32 -11.886 8.337 4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.946 8.422 5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.669 8.930 3.943 1.00 0.00 H new ATOM 268 N VAL A 33 -13.821 5.822 4.740 1.00 0.00 N ATOM 269 CA VAL A 33 -14.251 4.429 4.605 1.00 0.00 C ATOM 270 C VAL A 33 -13.809 3.591 5.801 1.00 0.00 C ATOM 271 O VAL A 33 -12.847 3.928 6.487 1.00 0.00 O ATOM 272 CB VAL A 33 -13.754 3.774 3.283 1.00 0.00 C ATOM 273 CG1 VAL A 33 -13.528 4.825 2.206 1.00 0.00 C ATOM 274 CG2 VAL A 33 -12.490 2.944 3.490 1.00 0.00 C ATOM 0 H VAL A 33 -12.979 5.954 5.300 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.340 4.451 4.573 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.540 3.095 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.181 4.341 1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.463 5.349 2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.778 5.539 2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.182 2.507 2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.693 3.583 3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.691 2.148 4.207 1.00 0.00 H new ATOM 284 N VAL A 34 -14.516 2.493 6.038 1.00 0.00 N ATOM 285 CA VAL A 34 -14.189 1.597 7.142 1.00 0.00 C ATOM 286 C VAL A 34 -13.917 0.192 6.627 1.00 0.00 C ATOM 287 O VAL A 34 -14.792 -0.454 6.051 1.00 0.00 O ATOM 288 CB VAL A 34 -15.309 1.545 8.194 1.00 0.00 C ATOM 289 CG1 VAL A 34 -14.890 0.694 9.384 1.00 0.00 C ATOM 290 CG2 VAL A 34 -15.683 2.950 8.643 1.00 0.00 C ATOM 0 H VAL A 34 -15.319 2.201 5.481 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.293 1.995 7.618 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.186 1.085 7.739 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.697 0.670 10.117 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.675 -0.320 9.048 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -13.998 1.122 9.841 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.477 2.895 9.388 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.811 3.437 9.078 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.030 3.526 7.785 1.00 0.00 H new ATOM 300 N ILE A 35 -12.693 -0.268 6.834 1.00 0.00 N ATOM 301 CA ILE A 35 -12.282 -1.586 6.390 1.00 0.00 C ATOM 302 C ILE A 35 -12.162 -2.557 7.560 1.00 0.00 C ATOM 303 O ILE A 35 -11.813 -2.163 8.674 1.00 0.00 O ATOM 304 CB ILE A 35 -10.938 -1.517 5.654 1.00 0.00 C ATOM 305 CG1 ILE A 35 -9.920 -0.724 6.471 1.00 0.00 C ATOM 306 CG2 ILE A 35 -11.116 -0.901 4.274 1.00 0.00 C ATOM 307 CD1 ILE A 35 -8.544 -1.347 6.472 1.00 0.00 C ATOM 0 H ILE A 35 -11.962 0.260 7.312 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.052 -1.950 5.710 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.561 -2.532 5.529 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.853 0.288 6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.274 -0.640 7.498 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.152 -0.860 3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.808 -1.509 3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.516 0.108 4.375 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.868 -0.735 7.070 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.599 -2.349 6.897 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.171 -1.407 5.450 1.00 0.00 H new ATOM 319 N VAL A 36 -12.457 -3.827 7.299 1.00 0.00 N ATOM 320 CA VAL A 36 -12.385 -4.858 8.328 1.00 0.00 C ATOM 321 C VAL A 36 -11.810 -6.155 7.766 1.00 0.00 C ATOM 322 O VAL A 36 -11.653 -6.302 6.555 1.00 0.00 O ATOM 323 CB VAL A 36 -13.773 -5.145 8.931 1.00 0.00 C ATOM 324 CG1 VAL A 36 -14.318 -3.909 9.631 1.00 0.00 C ATOM 325 CG2 VAL A 36 -14.738 -5.627 7.856 1.00 0.00 C ATOM 0 H VAL A 36 -12.748 -4.167 6.382 1.00 0.00 H new ATOM 0 HA VAL A 36 -11.727 -4.480 9.111 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.668 -5.938 9.672 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.299 -4.131 10.051 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.639 -3.615 10.432 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.407 -3.094 8.913 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.712 -5.824 8.303 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.840 -4.860 7.088 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.354 -6.542 7.406 1.00 0.00 H new ATOM 335 N GLU A 37 -11.500 -7.095 8.653 1.00 0.00 N ATOM 336 CA GLU A 37 -10.944 -8.381 8.242 1.00 0.00 C ATOM 337 C GLU A 37 -11.937 -9.153 7.378 1.00 0.00 C ATOM 338 O GLU A 37 -13.099 -9.315 7.744 1.00 0.00 O ATOM 339 CB GLU A 37 -10.565 -9.211 9.472 1.00 0.00 C ATOM 340 CG GLU A 37 -9.100 -9.088 9.861 1.00 0.00 C ATOM 341 CD GLU A 37 -8.851 -9.446 11.313 1.00 0.00 C ATOM 342 OE1 GLU A 37 -9.736 -9.180 12.152 1.00 0.00 O ATOM 343 OE2 GLU A 37 -7.767 -9.994 11.610 1.00 0.00 O ATOM 0 H GLU A 37 -11.624 -6.991 9.660 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.049 -8.190 7.650 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.183 -8.900 10.314 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.794 -10.259 9.278 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.502 -9.739 9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.764 -8.067 9.679 1.00 0.00 H new ATOM 350 N SER A 38 -11.467 -9.622 6.226 1.00 0.00 N ATOM 351 CA SER A 38 -12.310 -10.373 5.299 1.00 0.00 C ATOM 352 C SER A 38 -12.636 -11.761 5.844 1.00 0.00 C ATOM 353 O SER A 38 -11.985 -12.745 5.492 1.00 0.00 O ATOM 354 CB SER A 38 -11.617 -10.497 3.942 1.00 0.00 C ATOM 355 OG SER A 38 -10.536 -11.410 4.000 1.00 0.00 O ATOM 0 H SER A 38 -10.505 -9.495 5.911 1.00 0.00 H new ATOM 0 HA SER A 38 -13.246 -9.827 5.180 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.336 -10.828 3.193 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.254 -9.519 3.626 1.00 0.00 H new ATOM 0 HG SER A 38 -10.870 -12.298 4.246 1.00 0.00 H new ATOM 361 N GLY A 39 -13.655 -11.836 6.696 1.00 0.00 N ATOM 362 CA GLY A 39 -14.051 -13.114 7.265 1.00 0.00 C ATOM 363 C GLY A 39 -14.977 -13.897 6.356 1.00 0.00 C ATOM 364 O GLY A 39 -15.341 -15.035 6.659 1.00 0.00 O ATOM 0 H GLY A 39 -14.212 -11.038 7.002 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.160 -13.708 7.468 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.546 -12.944 8.221 1.00 0.00 H new ATOM 368 N TRP A 40 -15.347 -13.292 5.233 1.00 0.00 N ATOM 369 CA TRP A 40 -16.220 -13.930 4.256 1.00 0.00 C ATOM 370 C TRP A 40 -15.638 -15.274 3.810 1.00 0.00 C ATOM 371 O TRP A 40 -14.741 -15.815 4.455 1.00 0.00 O ATOM 372 CB TRP A 40 -16.372 -13.006 3.049 1.00 0.00 C ATOM 373 CG TRP A 40 -15.076 -12.776 2.330 1.00 0.00 C ATOM 374 CD1 TRP A 40 -13.816 -12.866 2.856 1.00 0.00 C ATOM 375 CD2 TRP A 40 -14.910 -12.418 0.956 1.00 0.00 C ATOM 376 NE1 TRP A 40 -12.881 -12.595 1.890 1.00 0.00 N ATOM 377 CE2 TRP A 40 -13.527 -12.314 0.717 1.00 0.00 C ATOM 378 CE3 TRP A 40 -15.796 -12.178 -0.095 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -13.010 -11.983 -0.529 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -15.283 -11.845 -1.334 1.00 0.00 C ATOM 381 CH2 TRP A 40 -13.902 -11.751 -1.542 1.00 0.00 C ATOM 0 H TRP A 40 -15.052 -12.350 4.975 1.00 0.00 H new ATOM 0 HA TRP A 40 -17.194 -14.112 4.711 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -17.096 -13.436 2.356 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -16.775 -12.048 3.378 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.591 -13.114 3.883 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -11.870 -12.602 2.024 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -16.863 -12.251 0.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.945 -11.911 -0.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -15.958 -11.654 -2.155 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -13.532 -11.490 -2.522 1.00 0.00 H new ATOM 392 N GLY A 41 -16.137 -15.800 2.693 1.00 0.00 N ATOM 393 CA GLY A 41 -15.626 -17.064 2.183 1.00 0.00 C ATOM 394 C GLY A 41 -14.110 -17.065 2.094 1.00 0.00 C ATOM 395 O GLY A 41 -13.474 -18.119 2.136 1.00 0.00 O ATOM 0 H GLY A 41 -16.880 -15.378 2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.952 -17.876 2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -16.048 -17.255 1.196 1.00 0.00 H new ATOM 399 N SER A 42 -13.537 -15.866 1.978 1.00 0.00 N ATOM 400 CA SER A 42 -12.092 -15.683 1.889 1.00 0.00 C ATOM 401 C SER A 42 -11.591 -15.894 0.478 1.00 0.00 C ATOM 402 O SER A 42 -10.480 -16.376 0.262 1.00 0.00 O ATOM 403 CB SER A 42 -11.344 -16.599 2.856 1.00 0.00 C ATOM 404 OG SER A 42 -12.154 -16.946 3.967 1.00 0.00 O ATOM 0 H SER A 42 -14.065 -14.994 1.943 1.00 0.00 H new ATOM 0 HA SER A 42 -11.890 -14.651 2.175 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.031 -17.504 2.335 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.439 -16.102 3.204 1.00 0.00 H new ATOM 0 HG SER A 42 -12.644 -17.771 3.769 1.00 0.00 H new ATOM 410 N ILE A 43 -12.406 -15.486 -0.476 1.00 0.00 N ATOM 411 CA ILE A 43 -12.048 -15.577 -1.873 1.00 0.00 C ATOM 412 C ILE A 43 -10.653 -14.997 -2.087 1.00 0.00 C ATOM 413 O ILE A 43 -9.842 -15.527 -2.847 1.00 0.00 O ATOM 414 CB ILE A 43 -13.062 -14.799 -2.704 1.00 0.00 C ATOM 415 CG1 ILE A 43 -14.446 -15.417 -2.540 1.00 0.00 C ATOM 416 CG2 ILE A 43 -12.650 -14.762 -4.156 1.00 0.00 C ATOM 417 CD1 ILE A 43 -15.563 -14.500 -2.963 1.00 0.00 C ATOM 0 H ILE A 43 -13.328 -15.085 -0.303 1.00 0.00 H new ATOM 0 HA ILE A 43 -12.049 -16.622 -2.182 1.00 0.00 H new ATOM 0 HB ILE A 43 -13.097 -13.770 -2.347 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -14.498 -16.335 -3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -14.590 -15.696 -1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -13.388 -14.202 -4.730 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -11.677 -14.278 -4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -12.586 -15.779 -4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -16.520 -15.002 -2.820 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -15.536 -13.592 -2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -15.443 -14.241 -4.015 1.00 0.00 H new ATOM 429 N LEU A 44 -10.397 -13.908 -1.375 1.00 0.00 N ATOM 430 CA LEU A 44 -9.119 -13.214 -1.413 1.00 0.00 C ATOM 431 C LEU A 44 -8.853 -12.587 -0.048 1.00 0.00 C ATOM 432 O LEU A 44 -9.556 -11.662 0.358 1.00 0.00 O ATOM 433 CB LEU A 44 -9.118 -12.125 -2.488 1.00 0.00 C ATOM 434 CG LEU A 44 -9.923 -12.438 -3.751 1.00 0.00 C ATOM 435 CD1 LEU A 44 -11.364 -11.984 -3.590 1.00 0.00 C ATOM 436 CD2 LEU A 44 -9.286 -11.776 -4.963 1.00 0.00 C ATOM 0 H LEU A 44 -11.078 -13.478 -0.749 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.336 -13.932 -1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.508 -11.207 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.086 -11.927 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.919 -13.517 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.922 -12.215 -4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.816 -12.502 -2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.389 -10.909 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.870 -12.008 -5.853 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.261 -10.696 -4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.269 -12.149 -5.089 1.00 0.00 H new ATOM 448 N PRO A 45 -7.854 -13.087 0.695 1.00 0.00 N ATOM 449 CA PRO A 45 -7.536 -12.563 2.026 1.00 0.00 C ATOM 450 C PRO A 45 -7.166 -11.083 2.001 1.00 0.00 C ATOM 451 O PRO A 45 -6.032 -10.722 1.698 1.00 0.00 O ATOM 452 CB PRO A 45 -6.341 -13.409 2.475 1.00 0.00 C ATOM 453 CG PRO A 45 -6.387 -14.633 1.627 1.00 0.00 C ATOM 454 CD PRO A 45 -6.973 -14.203 0.313 1.00 0.00 C ATOM 0 HA PRO A 45 -8.392 -12.627 2.697 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.404 -12.870 2.338 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.412 -13.660 3.533 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.390 -15.052 1.491 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.997 -15.407 2.092 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.202 -13.887 -0.389 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.528 -15.010 -0.165 1.00 0.00 H new ATOM 462 N THR A 46 -8.134 -10.235 2.332 1.00 0.00 N ATOM 463 CA THR A 46 -7.923 -8.789 2.359 1.00 0.00 C ATOM 464 C THR A 46 -8.877 -8.139 3.365 1.00 0.00 C ATOM 465 O THR A 46 -9.334 -8.792 4.303 1.00 0.00 O ATOM 466 CB THR A 46 -8.122 -8.176 0.960 1.00 0.00 C ATOM 467 OG1 THR A 46 -9.442 -7.684 0.803 1.00 0.00 O ATOM 468 CG2 THR A 46 -7.867 -9.138 -0.181 1.00 0.00 C ATOM 0 H THR A 46 -9.078 -10.525 2.587 1.00 0.00 H new ATOM 0 HA THR A 46 -6.895 -8.598 2.668 1.00 0.00 H new ATOM 0 HB THR A 46 -7.383 -7.376 0.909 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.410 -6.765 0.465 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.029 -8.628 -1.130 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.839 -9.496 -0.132 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.550 -9.984 -0.103 1.00 0.00 H new ATOM 476 N VAL A 47 -9.185 -6.860 3.162 1.00 0.00 N ATOM 477 CA VAL A 47 -10.098 -6.149 4.049 1.00 0.00 C ATOM 478 C VAL A 47 -11.446 -5.938 3.367 1.00 0.00 C ATOM 479 O VAL A 47 -11.565 -6.101 2.152 1.00 0.00 O ATOM 480 CB VAL A 47 -9.535 -4.783 4.486 1.00 0.00 C ATOM 481 CG1 VAL A 47 -8.609 -4.944 5.682 1.00 0.00 C ATOM 482 CG2 VAL A 47 -8.816 -4.097 3.335 1.00 0.00 C ATOM 0 H VAL A 47 -8.817 -6.298 2.394 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.222 -6.768 4.938 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.372 -4.151 4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.221 -3.969 5.976 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.162 -5.381 6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.779 -5.598 5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.428 -3.135 3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.990 -4.723 2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.513 -3.940 2.512 1.00 0.00 H new ATOM 492 N ILE A 48 -12.462 -5.584 4.147 1.00 0.00 N ATOM 493 CA ILE A 48 -13.799 -5.367 3.600 1.00 0.00 C ATOM 494 C ILE A 48 -14.350 -3.997 3.964 1.00 0.00 C ATOM 495 O ILE A 48 -14.363 -3.612 5.133 1.00 0.00 O ATOM 496 CB ILE A 48 -14.818 -6.423 4.092 1.00 0.00 C ATOM 497 CG1 ILE A 48 -14.141 -7.540 4.885 1.00 0.00 C ATOM 498 CG2 ILE A 48 -15.582 -7.005 2.921 1.00 0.00 C ATOM 499 CD1 ILE A 48 -15.122 -8.388 5.663 1.00 0.00 C ATOM 0 H ILE A 48 -12.388 -5.442 5.154 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.677 -5.448 2.520 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.515 -5.917 4.760 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.581 -8.177 4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.419 -7.103 5.575 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.295 -7.746 3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.118 -6.209 2.404 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -14.884 -7.480 2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -14.582 -9.164 6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -15.664 -7.761 6.371 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -15.828 -8.852 4.974 1.00 0.00 H new ATOM 511 N ILE A 49 -14.850 -3.279 2.962 1.00 0.00 N ATOM 512 CA ILE A 49 -15.443 -1.984 3.188 1.00 0.00 C ATOM 513 C ILE A 49 -16.771 -2.162 3.896 1.00 0.00 C ATOM 514 O ILE A 49 -17.801 -2.403 3.270 1.00 0.00 O ATOM 515 CB ILE A 49 -15.649 -1.240 1.865 1.00 0.00 C ATOM 516 CG1 ILE A 49 -14.310 -1.089 1.154 1.00 0.00 C ATOM 517 CG2 ILE A 49 -16.292 0.113 2.103 1.00 0.00 C ATOM 518 CD1 ILE A 49 -14.422 -0.429 -0.195 1.00 0.00 C ATOM 0 H ILE A 49 -14.852 -3.581 1.988 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.771 -1.390 3.808 1.00 0.00 H new ATOM 0 HB ILE A 49 -16.323 -1.818 1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.637 -0.505 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.858 -2.073 1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.429 0.624 1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -17.261 -0.024 2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.649 0.713 2.747 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.433 -0.353 -0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.069 -1.024 -0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.845 0.569 -0.078 1.00 0.00 H new ATOM 530 N ALA A 50 -16.723 -2.077 5.210 1.00 0.00 N ATOM 531 CA ALA A 50 -17.900 -2.258 6.032 1.00 0.00 C ATOM 532 C ALA A 50 -18.610 -0.937 6.318 1.00 0.00 C ATOM 533 O ALA A 50 -19.683 -0.920 6.920 1.00 0.00 O ATOM 534 CB ALA A 50 -17.497 -2.950 7.319 1.00 0.00 C ATOM 0 H ALA A 50 -15.871 -1.881 5.735 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.613 -2.878 5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -18.377 -3.092 7.947 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -17.056 -3.920 7.088 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.768 -2.337 7.849 1.00 0.00 H new ATOM 540 N ASN A 51 -18.013 0.168 5.880 1.00 0.00 N ATOM 541 CA ASN A 51 -18.605 1.484 6.089 1.00 0.00 C ATOM 542 C ASN A 51 -17.973 2.516 5.159 1.00 0.00 C ATOM 543 O ASN A 51 -16.915 2.277 4.576 1.00 0.00 O ATOM 544 CB ASN A 51 -18.445 1.917 7.545 1.00 0.00 C ATOM 545 CG ASN A 51 -19.770 2.271 8.191 1.00 0.00 C ATOM 546 OD1 ASN A 51 -20.469 3.179 7.745 1.00 0.00 O ATOM 547 ND2 ASN A 51 -20.119 1.554 9.253 1.00 0.00 N ATOM 0 H ASN A 51 -17.124 0.178 5.380 1.00 0.00 H new ATOM 0 HA ASN A 51 -19.668 1.418 5.858 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.971 1.114 8.110 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.778 2.778 7.594 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.998 1.748 9.733 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -19.508 0.809 9.589 1.00 0.00 H new ATOM 554 N MET A 52 -18.633 3.663 5.019 1.00 0.00 N ATOM 555 CA MET A 52 -18.136 4.725 4.153 1.00 0.00 C ATOM 556 C MET A 52 -18.766 6.069 4.502 1.00 0.00 C ATOM 557 O MET A 52 -19.983 6.176 4.649 1.00 0.00 O ATOM 558 CB MET A 52 -18.424 4.382 2.691 1.00 0.00 C ATOM 559 CG MET A 52 -17.328 4.819 1.732 1.00 0.00 C ATOM 560 SD MET A 52 -17.164 3.718 0.311 1.00 0.00 S ATOM 561 CE MET A 52 -18.851 3.143 0.121 1.00 0.00 C ATOM 0 H MET A 52 -19.510 3.879 5.493 1.00 0.00 H new ATOM 0 HA MET A 52 -17.060 4.807 4.305 1.00 0.00 H new ATOM 0 HB2 MET A 52 -18.565 3.305 2.601 1.00 0.00 H new ATOM 0 HB3 MET A 52 -19.362 4.852 2.395 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.540 5.829 1.381 1.00 0.00 H new ATOM 0 HG3 MET A 52 -16.379 4.860 2.266 1.00 0.00 H new ATOM 0 HE1 MET A 52 -19.002 2.789 -0.899 1.00 0.00 H new ATOM 0 HE2 MET A 52 -19.038 2.328 0.820 1.00 0.00 H new ATOM 0 HE3 MET A 52 -19.540 3.962 0.326 1.00 0.00 H new ATOM 571 N MET A 53 -17.928 7.094 4.625 1.00 0.00 N ATOM 572 CA MET A 53 -18.404 8.435 4.946 1.00 0.00 C ATOM 573 C MET A 53 -19.184 9.015 3.773 1.00 0.00 C ATOM 574 O MET A 53 -18.598 9.469 2.792 1.00 0.00 O ATOM 575 CB MET A 53 -17.227 9.351 5.290 1.00 0.00 C ATOM 576 CG MET A 53 -16.511 8.977 6.576 1.00 0.00 C ATOM 577 SD MET A 53 -15.856 10.412 7.452 1.00 0.00 S ATOM 578 CE MET A 53 -14.132 10.352 6.970 1.00 0.00 C ATOM 0 H MET A 53 -16.917 7.022 4.507 1.00 0.00 H new ATOM 0 HA MET A 53 -19.063 8.367 5.811 1.00 0.00 H new ATOM 0 HB2 MET A 53 -16.511 9.331 4.468 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.589 10.376 5.372 1.00 0.00 H new ATOM 0 HG2 MET A 53 -17.201 8.442 7.229 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.694 8.293 6.346 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.599 11.189 7.420 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.691 9.415 7.311 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.055 10.415 5.885 1.00 0.00 H new ATOM 588 N HIS A 54 -20.508 8.994 3.879 1.00 0.00 N ATOM 589 CA HIS A 54 -21.366 9.516 2.823 1.00 0.00 C ATOM 590 C HIS A 54 -21.154 11.016 2.639 1.00 0.00 C ATOM 591 O HIS A 54 -21.955 11.827 3.101 1.00 0.00 O ATOM 592 CB HIS A 54 -22.835 9.234 3.147 1.00 0.00 C ATOM 593 CG HIS A 54 -23.286 9.830 4.444 1.00 0.00 C ATOM 594 ND1 HIS A 54 -24.104 10.936 4.520 1.00 0.00 N ATOM 595 CD2 HIS A 54 -23.028 9.465 5.723 1.00 0.00 C ATOM 596 CE1 HIS A 54 -24.329 11.228 5.789 1.00 0.00 C ATOM 597 NE2 HIS A 54 -23.688 10.351 6.537 1.00 0.00 N ATOM 0 H HIS A 54 -21.010 8.621 4.685 1.00 0.00 H new ATOM 0 HA HIS A 54 -21.101 9.014 1.893 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -23.458 9.623 2.341 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -22.991 8.156 3.178 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.418 8.633 6.042 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -24.935 12.045 6.152 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.684 10.334 7.557 1.00 0.00 H new ATOM 606 N GLY A 55 -20.069 11.378 1.960 1.00 0.00 N ATOM 607 CA GLY A 55 -19.774 12.778 1.731 1.00 0.00 C ATOM 608 C GLY A 55 -18.344 12.995 1.291 1.00 0.00 C ATOM 609 O GLY A 55 -18.049 13.924 0.539 1.00 0.00 O ATOM 0 H GLY A 55 -19.391 10.726 1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.450 13.171 0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.961 13.341 2.645 1.00 0.00 H new ATOM 613 N GLY A 56 -17.453 12.127 1.757 1.00 0.00 N ATOM 614 CA GLY A 56 -16.055 12.236 1.393 1.00 0.00 C ATOM 615 C GLY A 56 -15.796 11.763 -0.024 1.00 0.00 C ATOM 616 O GLY A 56 -16.731 11.418 -0.745 1.00 0.00 O ATOM 0 H GLY A 56 -17.675 11.350 2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.735 13.273 1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.453 11.648 2.087 1.00 0.00 H new ATOM 620 N PRO A 57 -14.526 11.738 -0.456 1.00 0.00 N ATOM 621 CA PRO A 57 -14.160 11.302 -1.806 1.00 0.00 C ATOM 622 C PRO A 57 -14.583 9.864 -2.096 1.00 0.00 C ATOM 623 O PRO A 57 -14.625 9.446 -3.254 1.00 0.00 O ATOM 624 CB PRO A 57 -12.631 11.417 -1.829 1.00 0.00 C ATOM 625 CG PRO A 57 -12.297 12.353 -0.717 1.00 0.00 C ATOM 626 CD PRO A 57 -13.348 12.135 0.333 1.00 0.00 C ATOM 0 HA PRO A 57 -14.658 11.905 -2.565 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.160 10.445 -1.682 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.278 11.800 -2.787 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.302 12.151 -0.322 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.298 13.387 -1.063 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.056 11.359 1.041 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.535 13.040 0.911 1.00 0.00 H new ATOM 634 N ALA A 58 -14.892 9.106 -1.047 1.00 0.00 N ATOM 635 CA ALA A 58 -15.303 7.724 -1.210 1.00 0.00 C ATOM 636 C ALA A 58 -16.706 7.641 -1.796 1.00 0.00 C ATOM 637 O ALA A 58 -16.941 6.939 -2.779 1.00 0.00 O ATOM 638 CB ALA A 58 -15.232 6.990 0.118 1.00 0.00 C ATOM 0 H ALA A 58 -14.864 9.429 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.617 7.243 -1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.543 5.955 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.209 7.014 0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.893 7.474 0.837 1.00 0.00 H new ATOM 644 N GLU A 59 -17.633 8.377 -1.193 1.00 0.00 N ATOM 645 CA GLU A 59 -19.012 8.402 -1.661 1.00 0.00 C ATOM 646 C GLU A 59 -19.140 9.301 -2.886 1.00 0.00 C ATOM 647 O GLU A 59 -19.960 9.054 -3.770 1.00 0.00 O ATOM 648 CB GLU A 59 -19.942 8.893 -0.551 1.00 0.00 C ATOM 649 CG GLU A 59 -21.368 8.384 -0.684 1.00 0.00 C ATOM 650 CD GLU A 59 -22.334 9.464 -1.133 1.00 0.00 C ATOM 651 OE1 GLU A 59 -21.937 10.306 -1.966 1.00 0.00 O ATOM 652 OE2 GLU A 59 -23.486 9.468 -0.652 1.00 0.00 O ATOM 0 H GLU A 59 -17.453 8.964 -0.379 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.301 7.388 -1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.541 8.579 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -19.952 9.983 -0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -21.391 7.561 -1.399 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.697 7.983 0.274 1.00 0.00 H new ATOM 659 N LYS A 60 -18.324 10.351 -2.923 1.00 0.00 N ATOM 660 CA LYS A 60 -18.337 11.299 -4.026 1.00 0.00 C ATOM 661 C LYS A 60 -17.892 10.640 -5.328 1.00 0.00 C ATOM 662 O LYS A 60 -18.531 10.805 -6.367 1.00 0.00 O ATOM 663 CB LYS A 60 -17.438 12.492 -3.708 1.00 0.00 C ATOM 664 CG LYS A 60 -18.183 13.655 -3.079 1.00 0.00 C ATOM 665 CD LYS A 60 -17.229 14.626 -2.406 1.00 0.00 C ATOM 666 CE LYS A 60 -17.832 16.019 -2.294 1.00 0.00 C ATOM 667 NZ LYS A 60 -17.049 17.026 -3.061 1.00 0.00 N ATOM 0 H LYS A 60 -17.642 10.565 -2.195 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.361 11.648 -4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.645 12.170 -3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -16.958 12.831 -4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -18.757 14.178 -3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -18.897 13.278 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.976 14.258 -1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.300 14.676 -2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.858 16.001 -2.661 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -17.874 16.313 -1.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.492 17.961 -2.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.076 17.062 -2.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.031 16.759 -4.066 1.00 0.00 H new ATOM 681 N SER A 61 -16.792 9.898 -5.263 1.00 0.00 N ATOM 682 CA SER A 61 -16.257 9.218 -6.437 1.00 0.00 C ATOM 683 C SER A 61 -17.301 8.297 -7.060 1.00 0.00 C ATOM 684 O SER A 61 -17.804 8.559 -8.153 1.00 0.00 O ATOM 685 CB SER A 61 -15.012 8.414 -6.063 1.00 0.00 C ATOM 686 OG SER A 61 -14.443 7.792 -7.203 1.00 0.00 O ATOM 0 H SER A 61 -16.253 9.752 -4.409 1.00 0.00 H new ATOM 0 HA SER A 61 -15.986 9.977 -7.171 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.277 9.072 -5.599 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.273 7.656 -5.324 1.00 0.00 H new ATOM 0 HG SER A 61 -13.592 8.226 -7.422 1.00 0.00 H new ATOM 692 N GLY A 62 -17.618 7.214 -6.360 1.00 0.00 N ATOM 693 CA GLY A 62 -18.595 6.266 -6.860 1.00 0.00 C ATOM 694 C GLY A 62 -17.947 4.996 -7.374 1.00 0.00 C ATOM 695 O GLY A 62 -18.524 4.281 -8.192 1.00 0.00 O ATOM 0 H GLY A 62 -17.215 6.976 -5.454 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -19.298 6.017 -6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -19.171 6.729 -7.662 1.00 0.00 H new ATOM 699 N LYS A 63 -16.741 4.719 -6.890 1.00 0.00 N ATOM 700 CA LYS A 63 -16.003 3.532 -7.299 1.00 0.00 C ATOM 701 C LYS A 63 -15.967 2.505 -6.175 1.00 0.00 C ATOM 702 O LYS A 63 -15.972 1.299 -6.421 1.00 0.00 O ATOM 703 CB LYS A 63 -14.583 3.914 -7.706 1.00 0.00 C ATOM 704 CG LYS A 63 -14.536 4.864 -8.889 1.00 0.00 C ATOM 705 CD LYS A 63 -13.136 4.964 -9.459 1.00 0.00 C ATOM 706 CE LYS A 63 -12.846 3.830 -10.429 1.00 0.00 C ATOM 707 NZ LYS A 63 -12.815 4.304 -11.841 1.00 0.00 N ATOM 0 H LYS A 63 -16.253 5.304 -6.211 1.00 0.00 H new ATOM 0 HA LYS A 63 -16.512 3.087 -8.154 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.080 4.376 -6.857 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.027 3.010 -7.952 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.222 4.519 -9.663 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.876 5.852 -8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.017 5.920 -9.969 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.409 4.944 -8.647 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.889 3.373 -10.178 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.607 3.057 -10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.615 3.502 -12.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.737 4.718 -12.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.072 5.024 -11.949 1.00 0.00 H new ATOM 721 N LEU A 64 -15.937 2.994 -4.941 1.00 0.00 N ATOM 722 CA LEU A 64 -15.903 2.121 -3.774 1.00 0.00 C ATOM 723 C LEU A 64 -17.306 1.913 -3.217 1.00 0.00 C ATOM 724 O LEU A 64 -17.998 2.871 -2.874 1.00 0.00 O ATOM 725 CB LEU A 64 -14.996 2.712 -2.694 1.00 0.00 C ATOM 726 CG LEU A 64 -13.528 2.864 -3.095 1.00 0.00 C ATOM 727 CD1 LEU A 64 -12.799 3.771 -2.117 1.00 0.00 C ATOM 728 CD2 LEU A 64 -12.851 1.502 -3.172 1.00 0.00 C ATOM 0 H LEU A 64 -15.936 3.990 -4.723 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.504 1.155 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.383 3.691 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.051 2.079 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.487 3.323 -4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.756 3.867 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.268 4.755 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.849 3.342 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.807 1.630 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.903 1.014 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.358 0.885 -3.914 1.00 0.00 H new ATOM 740 N ASN A 65 -17.718 0.654 -3.126 1.00 0.00 N ATOM 741 CA ASN A 65 -19.036 0.316 -2.608 1.00 0.00 C ATOM 742 C ASN A 65 -18.925 -0.715 -1.493 1.00 0.00 C ATOM 743 O ASN A 65 -18.210 -1.708 -1.624 1.00 0.00 O ATOM 744 CB ASN A 65 -19.927 -0.222 -3.731 1.00 0.00 C ATOM 745 CG ASN A 65 -20.543 0.886 -4.562 1.00 0.00 C ATOM 746 OD1 ASN A 65 -21.589 1.433 -4.211 1.00 0.00 O ATOM 747 ND2 ASN A 65 -19.896 1.223 -5.671 1.00 0.00 N ATOM 0 H ASN A 65 -17.156 -0.150 -3.405 1.00 0.00 H new ATOM 0 HA ASN A 65 -19.487 1.222 -2.202 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.338 -0.873 -4.378 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -20.720 -0.833 -3.300 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -20.263 1.962 -6.271 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -19.032 0.743 -5.923 1.00 0.00 H new ATOM 754 N ILE A 66 -19.630 -0.471 -0.391 1.00 0.00 N ATOM 755 CA ILE A 66 -19.607 -1.373 0.748 1.00 0.00 C ATOM 756 C ILE A 66 -19.750 -2.830 0.323 1.00 0.00 C ATOM 757 O ILE A 66 -20.492 -3.151 -0.605 1.00 0.00 O ATOM 758 CB ILE A 66 -20.709 -0.998 1.746 1.00 0.00 C ATOM 759 CG1 ILE A 66 -20.443 0.410 2.255 1.00 0.00 C ATOM 760 CG2 ILE A 66 -20.776 -1.991 2.900 1.00 0.00 C ATOM 761 CD1 ILE A 66 -19.119 0.552 2.967 1.00 0.00 C ATOM 0 H ILE A 66 -20.225 0.348 -0.267 1.00 0.00 H new ATOM 0 HA ILE A 66 -18.636 -1.267 1.231 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.676 -1.032 1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.471 1.103 1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -21.245 0.700 2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -21.567 -1.696 3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -20.987 -2.987 2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.822 -2.001 3.427 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -18.995 1.581 3.303 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.095 -0.116 3.828 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.309 0.293 2.285 1.00 0.00 H new ATOM 773 N GLY A 67 -19.020 -3.701 1.005 1.00 0.00 N ATOM 774 CA GLY A 67 -19.059 -5.115 0.687 1.00 0.00 C ATOM 775 C GLY A 67 -18.001 -5.504 -0.330 1.00 0.00 C ATOM 776 O GLY A 67 -18.063 -6.584 -0.914 1.00 0.00 O ATOM 0 H GLY A 67 -18.399 -3.453 1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -18.915 -5.695 1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.045 -5.371 0.299 1.00 0.00 H new ATOM 780 N ASP A 68 -17.025 -4.621 -0.541 1.00 0.00 N ATOM 781 CA ASP A 68 -15.952 -4.883 -1.493 1.00 0.00 C ATOM 782 C ASP A 68 -14.685 -5.322 -0.769 1.00 0.00 C ATOM 783 O ASP A 68 -14.562 -5.153 0.444 1.00 0.00 O ATOM 784 CB ASP A 68 -15.667 -3.637 -2.330 1.00 0.00 C ATOM 785 CG ASP A 68 -16.782 -3.330 -3.310 1.00 0.00 C ATOM 786 OD1 ASP A 68 -17.625 -4.221 -3.549 1.00 0.00 O ATOM 787 OD2 ASP A 68 -16.814 -2.199 -3.838 1.00 0.00 O ATOM 0 H ASP A 68 -16.957 -3.721 -0.066 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.273 -5.688 -2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.524 -2.783 -1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.735 -3.776 -2.877 1.00 0.00 H new ATOM 792 N GLN A 69 -13.746 -5.888 -1.518 1.00 0.00 N ATOM 793 CA GLN A 69 -12.490 -6.350 -0.940 1.00 0.00 C ATOM 794 C GLN A 69 -11.301 -5.641 -1.577 1.00 0.00 C ATOM 795 O GLN A 69 -11.037 -5.803 -2.768 1.00 0.00 O ATOM 796 CB GLN A 69 -12.347 -7.859 -1.119 1.00 0.00 C ATOM 797 CG GLN A 69 -13.064 -8.661 -0.051 1.00 0.00 C ATOM 798 CD GLN A 69 -12.208 -8.888 1.177 1.00 0.00 C ATOM 799 OE1 GLN A 69 -12.512 -8.391 2.260 1.00 0.00 O ATOM 800 NE2 GLN A 69 -11.130 -9.644 1.011 1.00 0.00 N ATOM 0 H GLN A 69 -13.830 -6.038 -2.523 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.504 -6.114 0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.737 -8.140 -2.097 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.289 -8.120 -1.110 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.977 -8.140 0.238 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.363 -9.624 -0.464 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.918 -10.035 0.093 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.514 -9.834 1.801 1.00 0.00 H new ATOM 809 N ILE A 70 -10.588 -4.858 -0.778 1.00 0.00 N ATOM 810 CA ILE A 70 -9.428 -4.125 -1.269 1.00 0.00 C ATOM 811 C ILE A 70 -8.160 -4.962 -1.141 1.00 0.00 C ATOM 812 O ILE A 70 -7.759 -5.334 -0.038 1.00 0.00 O ATOM 813 CB ILE A 70 -9.236 -2.796 -0.514 1.00 0.00 C ATOM 814 CG1 ILE A 70 -10.572 -2.060 -0.371 1.00 0.00 C ATOM 815 CG2 ILE A 70 -8.216 -1.922 -1.232 1.00 0.00 C ATOM 816 CD1 ILE A 70 -10.824 -1.534 1.026 1.00 0.00 C ATOM 0 H ILE A 70 -10.792 -4.714 0.211 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.613 -3.907 -2.321 1.00 0.00 H new ATOM 0 HB ILE A 70 -8.860 -3.016 0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.596 -1.228 -1.074 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -11.381 -2.735 -0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.091 -0.986 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.260 -2.444 -1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.566 -1.709 -2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.787 -1.024 1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.832 -2.365 1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.035 -0.834 1.299 1.00 0.00 H new ATOM 828 N MET A 71 -7.535 -5.261 -2.277 1.00 0.00 N ATOM 829 CA MET A 71 -6.315 -6.062 -2.288 1.00 0.00 C ATOM 830 C MET A 71 -5.090 -5.213 -1.968 1.00 0.00 C ATOM 831 O MET A 71 -4.420 -5.428 -0.958 1.00 0.00 O ATOM 832 CB MET A 71 -6.128 -6.732 -3.647 1.00 0.00 C ATOM 833 CG MET A 71 -6.981 -7.971 -3.833 1.00 0.00 C ATOM 834 SD MET A 71 -8.735 -7.586 -3.969 1.00 0.00 S ATOM 835 CE MET A 71 -9.450 -9.012 -3.157 1.00 0.00 C ATOM 0 H MET A 71 -7.852 -4.962 -3.199 1.00 0.00 H new ATOM 0 HA MET A 71 -6.418 -6.826 -1.517 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.367 -6.015 -4.433 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.079 -7.001 -3.769 1.00 0.00 H new ATOM 0 HG2 MET A 71 -6.658 -8.500 -4.730 1.00 0.00 H new ATOM 0 HG3 MET A 71 -6.825 -8.646 -2.991 1.00 0.00 H new ATOM 0 HE1 MET A 71 -10.361 -9.309 -3.678 1.00 0.00 H new ATOM 0 HE2 MET A 71 -8.737 -9.836 -3.175 1.00 0.00 H new ATOM 0 HE3 MET A 71 -9.688 -8.761 -2.123 1.00 0.00 H new ATOM 845 N SER A 72 -4.792 -4.258 -2.845 1.00 0.00 N ATOM 846 CA SER A 72 -3.635 -3.389 -2.660 1.00 0.00 C ATOM 847 C SER A 72 -4.003 -1.923 -2.864 1.00 0.00 C ATOM 848 O SER A 72 -4.858 -1.595 -3.688 1.00 0.00 O ATOM 849 CB SER A 72 -2.524 -3.785 -3.635 1.00 0.00 C ATOM 850 OG SER A 72 -1.380 -2.967 -3.468 1.00 0.00 O ATOM 0 H SER A 72 -5.334 -4.067 -3.688 1.00 0.00 H new ATOM 0 HA SER A 72 -3.283 -3.511 -1.636 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.254 -4.829 -3.478 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.888 -3.701 -4.659 1.00 0.00 H new ATOM 0 HG SER A 72 -0.572 -3.498 -3.628 1.00 0.00 H new ATOM 856 N ILE A 73 -3.350 -1.046 -2.109 1.00 0.00 N ATOM 857 CA ILE A 73 -3.600 0.382 -2.203 1.00 0.00 C ATOM 858 C ILE A 73 -2.350 1.124 -2.669 1.00 0.00 C ATOM 859 O ILE A 73 -1.359 1.208 -1.941 1.00 0.00 O ATOM 860 CB ILE A 73 -4.056 0.954 -0.849 1.00 0.00 C ATOM 861 CG1 ILE A 73 -5.349 0.275 -0.394 1.00 0.00 C ATOM 862 CG2 ILE A 73 -4.248 2.458 -0.946 1.00 0.00 C ATOM 863 CD1 ILE A 73 -5.253 -0.335 0.985 1.00 0.00 C ATOM 0 H ILE A 73 -2.641 -1.304 -1.423 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.395 0.525 -2.935 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.282 0.754 -0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.158 1.006 -0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.613 -0.503 -1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.571 2.847 0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.306 2.927 -1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.005 2.680 -1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.204 -0.799 1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.466 -1.089 0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.019 0.443 1.712 1.00 0.00 H new ATOM 875 N ASN A 74 -2.403 1.659 -3.883 1.00 0.00 N ATOM 876 CA ASN A 74 -1.275 2.394 -4.444 1.00 0.00 C ATOM 877 C ASN A 74 -0.042 1.503 -4.561 1.00 0.00 C ATOM 878 O ASN A 74 1.088 1.990 -4.550 1.00 0.00 O ATOM 879 CB ASN A 74 -0.955 3.614 -3.580 1.00 0.00 C ATOM 880 CG ASN A 74 -2.052 4.659 -3.625 1.00 0.00 C ATOM 881 OD1 ASN A 74 -2.616 4.938 -4.683 1.00 0.00 O ATOM 882 ND2 ASN A 74 -2.359 5.246 -2.474 1.00 0.00 N ATOM 0 H ASN A 74 -3.215 1.598 -4.498 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.555 2.726 -5.444 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.803 3.295 -2.549 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.019 4.059 -3.918 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.088 5.959 -2.444 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.866 4.984 -1.620 1.00 0.00 H new ATOM 889 N GLY A 75 -0.266 0.197 -4.676 1.00 0.00 N ATOM 890 CA GLY A 75 0.840 -0.735 -4.796 1.00 0.00 C ATOM 891 C GLY A 75 1.043 -1.564 -3.542 1.00 0.00 C ATOM 892 O GLY A 75 1.526 -2.693 -3.610 1.00 0.00 O ATOM 0 H GLY A 75 -1.192 -0.231 -4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.660 -1.399 -5.641 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.754 -0.182 -5.014 1.00 0.00 H new ATOM 896 N THR A 76 0.673 -1.003 -2.394 1.00 0.00 N ATOM 897 CA THR A 76 0.820 -1.704 -1.124 1.00 0.00 C ATOM 898 C THR A 76 -0.053 -2.953 -1.083 1.00 0.00 C ATOM 899 O THR A 76 -1.241 -2.881 -0.769 1.00 0.00 O ATOM 900 CB THR A 76 0.460 -0.782 0.039 1.00 0.00 C ATOM 901 OG1 THR A 76 1.277 0.375 0.036 1.00 0.00 O ATOM 902 CG2 THR A 76 0.599 -1.444 1.394 1.00 0.00 C ATOM 0 H THR A 76 0.271 -0.069 -2.318 1.00 0.00 H new ATOM 0 HA THR A 76 1.862 -2.008 -1.029 1.00 0.00 H new ATOM 0 HB THR A 76 -0.588 -0.523 -0.113 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.029 0.953 0.788 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.328 -0.734 2.175 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.061 -2.310 1.445 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.631 -1.765 1.538 1.00 0.00 H new ATOM 910 N SER A 77 0.543 -4.095 -1.402 1.00 0.00 N ATOM 911 CA SER A 77 -0.181 -5.359 -1.400 1.00 0.00 C ATOM 912 C SER A 77 -0.430 -5.836 0.027 1.00 0.00 C ATOM 913 O SER A 77 0.512 -6.094 0.777 1.00 0.00 O ATOM 914 CB SER A 77 0.599 -6.422 -2.175 1.00 0.00 C ATOM 915 OG SER A 77 0.219 -6.438 -3.541 1.00 0.00 O ATOM 0 H SER A 77 1.525 -4.172 -1.665 1.00 0.00 H new ATOM 0 HA SER A 77 -1.143 -5.199 -1.887 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.668 -6.225 -2.094 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.421 -7.402 -1.733 1.00 0.00 H new ATOM 0 HG SER A 77 0.733 -7.125 -4.015 1.00 0.00 H new ATOM 921 N LEU A 78 -1.700 -5.950 0.398 1.00 0.00 N ATOM 922 CA LEU A 78 -2.064 -6.398 1.737 1.00 0.00 C ATOM 923 C LEU A 78 -3.001 -7.599 1.674 1.00 0.00 C ATOM 924 O LEU A 78 -3.805 -7.819 2.581 1.00 0.00 O ATOM 925 CB LEU A 78 -2.722 -5.262 2.524 1.00 0.00 C ATOM 926 CG LEU A 78 -3.683 -4.384 1.725 1.00 0.00 C ATOM 927 CD1 LEU A 78 -5.065 -5.014 1.673 1.00 0.00 C ATOM 928 CD2 LEU A 78 -3.754 -2.989 2.330 1.00 0.00 C ATOM 0 H LEU A 78 -2.493 -5.739 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.150 -6.699 2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.264 -5.692 3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.938 -4.629 2.940 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.307 -4.300 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.735 -4.374 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.001 -5.992 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.451 -5.129 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.443 -2.375 1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.107 -3.056 3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.763 -2.535 2.315 1.00 0.00 H new ATOM 940 N VAL A 79 -2.893 -8.375 0.601 1.00 0.00 N ATOM 941 CA VAL A 79 -3.730 -9.554 0.425 1.00 0.00 C ATOM 942 C VAL A 79 -3.271 -10.687 1.338 1.00 0.00 C ATOM 943 O VAL A 79 -2.571 -11.603 0.904 1.00 0.00 O ATOM 944 CB VAL A 79 -3.711 -10.044 -1.036 1.00 0.00 C ATOM 945 CG1 VAL A 79 -4.716 -11.166 -1.237 1.00 0.00 C ATOM 946 CG2 VAL A 79 -3.988 -8.891 -1.989 1.00 0.00 C ATOM 0 H VAL A 79 -2.234 -8.208 -0.159 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.748 -9.266 0.687 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.718 -10.436 -1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.688 -11.498 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.466 -12.000 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.717 -10.805 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.971 -9.256 -3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.968 -8.466 -1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.224 -8.124 -1.864 1.00 0.00 H new ATOM 956 N GLY A 80 -3.668 -10.619 2.605 1.00 0.00 N ATOM 957 CA GLY A 80 -3.285 -11.642 3.559 1.00 0.00 C ATOM 958 C GLY A 80 -2.914 -11.071 4.916 1.00 0.00 C ATOM 959 O GLY A 80 -2.804 -11.809 5.895 1.00 0.00 O ATOM 0 H GLY A 80 -4.249 -9.873 2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.108 -12.347 3.679 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.439 -12.204 3.163 1.00 0.00 H new ATOM 963 N LEU A 81 -2.721 -9.757 4.977 1.00 0.00 N ATOM 964 CA LEU A 81 -2.360 -9.095 6.227 1.00 0.00 C ATOM 965 C LEU A 81 -3.601 -8.812 7.069 1.00 0.00 C ATOM 966 O LEU A 81 -4.713 -8.737 6.544 1.00 0.00 O ATOM 967 CB LEU A 81 -1.611 -7.784 5.955 1.00 0.00 C ATOM 968 CG LEU A 81 -0.902 -7.695 4.604 1.00 0.00 C ATOM 969 CD1 LEU A 81 -0.124 -6.393 4.496 1.00 0.00 C ATOM 970 CD2 LEU A 81 0.023 -8.888 4.407 1.00 0.00 C ATOM 0 H LEU A 81 -2.808 -9.130 4.177 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.704 -9.768 6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.320 -6.960 6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.872 -7.639 6.743 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.656 -7.712 3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.375 -6.346 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.809 -5.551 4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.621 -6.347 5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.519 -8.808 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.772 -8.903 5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.559 -9.809 4.441 1.00 0.00 H new ATOM 982 N PRO A 82 -3.426 -8.641 8.389 1.00 0.00 N ATOM 983 CA PRO A 82 -4.538 -8.354 9.303 1.00 0.00 C ATOM 984 C PRO A 82 -5.192 -7.013 8.998 1.00 0.00 C ATOM 985 O PRO A 82 -4.841 -6.349 8.023 1.00 0.00 O ATOM 986 CB PRO A 82 -3.874 -8.323 10.683 1.00 0.00 C ATOM 987 CG PRO A 82 -2.435 -8.047 10.411 1.00 0.00 C ATOM 988 CD PRO A 82 -2.135 -8.705 9.096 1.00 0.00 C ATOM 0 HA PRO A 82 -5.336 -9.093 9.221 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.312 -7.550 11.315 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.003 -9.271 11.205 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.244 -6.975 10.364 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.803 -8.449 11.203 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.351 -8.179 8.552 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.798 -9.733 9.227 1.00 0.00 H new ATOM 996 N LEU A 83 -6.142 -6.616 9.837 1.00 0.00 N ATOM 997 CA LEU A 83 -6.839 -5.348 9.649 1.00 0.00 C ATOM 998 C LEU A 83 -5.978 -4.184 10.126 1.00 0.00 C ATOM 999 O LEU A 83 -5.938 -3.130 9.490 1.00 0.00 O ATOM 1000 CB LEU A 83 -8.176 -5.358 10.393 1.00 0.00 C ATOM 1001 CG LEU A 83 -8.910 -4.015 10.429 1.00 0.00 C ATOM 1002 CD1 LEU A 83 -9.061 -3.450 9.025 1.00 0.00 C ATOM 1003 CD2 LEU A 83 -10.267 -4.169 11.095 1.00 0.00 C ATOM 0 H LEU A 83 -6.447 -7.151 10.651 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.033 -5.219 8.584 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -8.827 -6.098 9.928 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.001 -5.686 11.418 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.317 -3.314 11.016 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.585 -2.495 9.071 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.075 -3.302 8.585 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.631 -4.148 8.411 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.775 -3.205 11.112 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.868 -4.886 10.535 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.133 -4.527 12.116 1.00 0.00 H new ATOM 1015 N SER A 84 -5.286 -4.379 11.243 1.00 0.00 N ATOM 1016 CA SER A 84 -4.421 -3.342 11.795 1.00 0.00 C ATOM 1017 C SER A 84 -3.433 -2.858 10.739 1.00 0.00 C ATOM 1018 O SER A 84 -3.217 -1.657 10.573 1.00 0.00 O ATOM 1019 CB SER A 84 -3.666 -3.872 13.015 1.00 0.00 C ATOM 1020 OG SER A 84 -3.067 -5.127 12.739 1.00 0.00 O ATOM 0 H SER A 84 -5.307 -5.244 11.783 1.00 0.00 H new ATOM 0 HA SER A 84 -5.043 -2.503 12.105 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.899 -3.157 13.311 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.352 -3.970 13.857 1.00 0.00 H new ATOM 0 HG SER A 84 -2.589 -5.443 13.534 1.00 0.00 H new ATOM 1026 N THR A 85 -2.844 -3.809 10.023 1.00 0.00 N ATOM 1027 CA THR A 85 -1.884 -3.492 8.977 1.00 0.00 C ATOM 1028 C THR A 85 -2.548 -2.708 7.850 1.00 0.00 C ATOM 1029 O THR A 85 -2.074 -1.639 7.472 1.00 0.00 O ATOM 1030 CB THR A 85 -1.256 -4.770 8.428 1.00 0.00 C ATOM 1031 OG1 THR A 85 -0.570 -5.473 9.451 1.00 0.00 O ATOM 1032 CG2 THR A 85 -0.272 -4.525 7.305 1.00 0.00 C ATOM 0 H THR A 85 -3.016 -4.806 10.149 1.00 0.00 H new ATOM 0 HA THR A 85 -1.100 -2.872 9.412 1.00 0.00 H new ATOM 0 HB THR A 85 -2.091 -5.352 8.037 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.176 -6.290 9.079 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.135 -5.477 6.964 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.780 -4.030 6.477 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.539 -3.891 7.664 1.00 0.00 H new ATOM 1040 N CYS A 86 -3.646 -3.243 7.317 1.00 0.00 N ATOM 1041 CA CYS A 86 -4.366 -2.585 6.229 1.00 0.00 C ATOM 1042 C CYS A 86 -4.764 -1.166 6.617 1.00 0.00 C ATOM 1043 O CYS A 86 -4.474 -0.209 5.894 1.00 0.00 O ATOM 1044 CB CYS A 86 -5.607 -3.393 5.849 1.00 0.00 C ATOM 1045 SG CYS A 86 -5.245 -5.044 5.207 1.00 0.00 S ATOM 0 H CYS A 86 -4.055 -4.127 7.620 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.700 -2.530 5.368 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.248 -3.488 6.726 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.172 -2.839 5.099 1.00 0.00 H new ATOM 0 HG CYS A 86 -4.998 -5.850 6.197 1.00 0.00 H new ATOM 1051 N GLN A 87 -5.421 -1.027 7.767 1.00 0.00 N ATOM 1052 CA GLN A 87 -5.843 0.285 8.245 1.00 0.00 C ATOM 1053 C GLN A 87 -4.671 1.258 8.192 1.00 0.00 C ATOM 1054 O GLN A 87 -4.817 2.404 7.769 1.00 0.00 O ATOM 1055 CB GLN A 87 -6.385 0.188 9.671 1.00 0.00 C ATOM 1056 CG GLN A 87 -7.825 -0.297 9.741 1.00 0.00 C ATOM 1057 CD GLN A 87 -8.281 -0.568 11.160 1.00 0.00 C ATOM 1058 OE1 GLN A 87 -9.331 -0.088 11.589 1.00 0.00 O ATOM 1059 NE2 GLN A 87 -7.497 -1.342 11.898 1.00 0.00 N ATOM 0 H GLN A 87 -5.671 -1.803 8.381 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.640 0.653 7.599 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.753 -0.489 10.246 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.316 1.167 10.145 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.478 0.450 9.290 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.927 -1.208 9.151 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -6.635 -1.719 11.503 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -7.756 -1.560 12.860 1.00 0.00 H new ATOM 1068 N SER A 88 -3.503 0.780 8.609 1.00 0.00 N ATOM 1069 CA SER A 88 -2.299 1.592 8.595 1.00 0.00 C ATOM 1070 C SER A 88 -1.971 2.027 7.169 1.00 0.00 C ATOM 1071 O SER A 88 -1.507 3.145 6.937 1.00 0.00 O ATOM 1072 CB SER A 88 -1.123 0.810 9.186 1.00 0.00 C ATOM 1073 OG SER A 88 -0.994 1.056 10.575 1.00 0.00 O ATOM 0 H SER A 88 -3.368 -0.168 8.961 1.00 0.00 H new ATOM 0 HA SER A 88 -2.473 2.479 9.204 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.268 -0.257 9.014 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.202 1.092 8.676 1.00 0.00 H new ATOM 0 HG SER A 88 -0.237 0.544 10.929 1.00 0.00 H new ATOM 1079 N ILE A 89 -2.219 1.131 6.216 1.00 0.00 N ATOM 1080 CA ILE A 89 -1.954 1.407 4.810 1.00 0.00 C ATOM 1081 C ILE A 89 -2.735 2.624 4.325 1.00 0.00 C ATOM 1082 O ILE A 89 -2.174 3.518 3.690 1.00 0.00 O ATOM 1083 CB ILE A 89 -2.331 0.203 3.921 1.00 0.00 C ATOM 1084 CG1 ILE A 89 -1.708 -1.085 4.465 1.00 0.00 C ATOM 1085 CG2 ILE A 89 -1.898 0.444 2.483 1.00 0.00 C ATOM 1086 CD1 ILE A 89 -0.209 -1.169 4.278 1.00 0.00 C ATOM 0 H ILE A 89 -2.605 0.204 6.396 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.885 1.603 4.729 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.415 0.091 3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.937 -1.167 5.528 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.174 -1.938 3.972 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.172 -0.416 1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.393 1.336 2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.818 0.585 2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.157 -2.110 4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.028 -1.121 3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.269 -0.337 4.795 1.00 0.00 H new ATOM 1098 N ILE A 90 -4.032 2.644 4.609 1.00 0.00 N ATOM 1099 CA ILE A 90 -4.886 3.735 4.187 1.00 0.00 C ATOM 1100 C ILE A 90 -4.630 5.007 4.990 1.00 0.00 C ATOM 1101 O ILE A 90 -4.451 6.083 4.419 1.00 0.00 O ATOM 1102 CB ILE A 90 -6.365 3.348 4.314 1.00 0.00 C ATOM 1103 CG1 ILE A 90 -6.623 1.990 3.657 1.00 0.00 C ATOM 1104 CG2 ILE A 90 -7.228 4.418 3.683 1.00 0.00 C ATOM 1105 CD1 ILE A 90 -7.983 1.411 3.978 1.00 0.00 C ATOM 0 H ILE A 90 -4.512 1.911 5.132 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.646 3.934 3.143 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.621 3.266 5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.528 2.095 2.576 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.853 1.288 3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.278 4.140 3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.059 5.368 4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.970 4.518 2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.096 0.449 3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.075 1.274 5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.760 2.093 3.631 1.00 0.00 H new ATOM 1117 N LYS A 91 -4.618 4.891 6.312 1.00 0.00 N ATOM 1118 CA LYS A 91 -4.385 6.051 7.167 1.00 0.00 C ATOM 1119 C LYS A 91 -3.030 6.684 6.870 1.00 0.00 C ATOM 1120 O LYS A 91 -2.795 7.851 7.184 1.00 0.00 O ATOM 1121 CB LYS A 91 -4.475 5.663 8.640 1.00 0.00 C ATOM 1122 CG LYS A 91 -3.435 4.645 9.055 1.00 0.00 C ATOM 1123 CD LYS A 91 -2.230 5.310 9.702 1.00 0.00 C ATOM 1124 CE LYS A 91 -2.250 5.156 11.215 1.00 0.00 C ATOM 1125 NZ LYS A 91 -1.155 4.268 11.697 1.00 0.00 N ATOM 0 H LYS A 91 -4.765 4.015 6.813 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.161 6.785 6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.362 6.558 9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.468 5.261 8.843 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.878 3.935 9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.113 4.076 8.183 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.315 4.872 9.303 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.216 6.369 9.444 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.154 6.137 11.681 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.212 4.748 11.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.213 4.175 12.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.251 3.330 11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.235 4.679 11.438 1.00 0.00 H new ATOM 1139 N GLY A 92 -2.144 5.908 6.255 1.00 0.00 N ATOM 1140 CA GLY A 92 -0.825 6.410 5.917 1.00 0.00 C ATOM 1141 C GLY A 92 -0.861 7.399 4.767 1.00 0.00 C ATOM 1142 O GLY A 92 -0.013 8.287 4.679 1.00 0.00 O ATOM 0 H GLY A 92 -2.316 4.940 5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.386 6.890 6.792 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.177 5.574 5.654 1.00 0.00 H new ATOM 1146 N LEU A 93 -1.846 7.248 3.886 1.00 0.00 N ATOM 1147 CA LEU A 93 -1.987 8.140 2.737 1.00 0.00 C ATOM 1148 C LEU A 93 -3.166 9.092 2.927 1.00 0.00 C ATOM 1149 O LEU A 93 -4.085 9.132 2.110 1.00 0.00 O ATOM 1150 CB LEU A 93 -2.160 7.338 1.445 1.00 0.00 C ATOM 1151 CG LEU A 93 -3.266 6.285 1.479 1.00 0.00 C ATOM 1152 CD1 LEU A 93 -4.500 6.780 0.740 1.00 0.00 C ATOM 1153 CD2 LEU A 93 -2.777 4.973 0.885 1.00 0.00 C ATOM 0 H LEU A 93 -2.557 6.519 3.944 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.075 8.731 2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.365 8.032 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.216 6.844 1.213 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.537 6.109 2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.276 6.016 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.866 7.691 1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.243 6.988 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.580 4.237 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.474 5.133 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.926 4.608 1.460 1.00 0.00 H new ATOM 1165 N LYS A 94 -3.128 9.860 4.012 1.00 0.00 N ATOM 1166 CA LYS A 94 -4.190 10.813 4.314 1.00 0.00 C ATOM 1167 C LYS A 94 -3.991 12.119 3.548 1.00 0.00 C ATOM 1168 O LYS A 94 -4.955 12.802 3.205 1.00 0.00 O ATOM 1169 CB LYS A 94 -4.237 11.092 5.816 1.00 0.00 C ATOM 1170 CG LYS A 94 -5.317 12.085 6.221 1.00 0.00 C ATOM 1171 CD LYS A 94 -4.719 13.410 6.669 1.00 0.00 C ATOM 1172 CE LYS A 94 -4.530 13.453 8.176 1.00 0.00 C ATOM 1173 NZ LYS A 94 -3.352 14.275 8.565 1.00 0.00 N ATOM 0 H LYS A 94 -2.372 9.841 4.697 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.137 10.373 4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.402 10.154 6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.267 11.473 6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.990 12.254 5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.915 11.663 7.029 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.759 13.562 6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.370 14.228 6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.427 13.860 8.643 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.406 12.439 8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.258 14.279 9.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.492 13.872 8.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.481 15.250 8.226 1.00 0.00 H new ATOM 1187 N ASN A 95 -2.732 12.461 3.287 1.00 0.00 N ATOM 1188 CA ASN A 95 -2.408 13.687 2.566 1.00 0.00 C ATOM 1189 C ASN A 95 -2.190 13.412 1.082 1.00 0.00 C ATOM 1190 O ASN A 95 -1.319 14.009 0.451 1.00 0.00 O ATOM 1191 CB ASN A 95 -1.160 14.337 3.164 1.00 0.00 C ATOM 1192 CG ASN A 95 -1.352 14.734 4.614 1.00 0.00 C ATOM 1193 OD1 ASN A 95 -1.735 15.866 4.915 1.00 0.00 O ATOM 1194 ND2 ASN A 95 -1.086 13.803 5.523 1.00 0.00 N ATOM 0 H ASN A 95 -1.921 11.907 3.564 1.00 0.00 H new ATOM 0 HA ASN A 95 -3.252 14.369 2.667 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.322 13.645 3.088 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.899 15.220 2.580 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.197 14.013 6.515 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -0.771 12.878 5.229 1.00 0.00 H new ATOM 1201 N GLN A 96 -2.984 12.500 0.528 1.00 0.00 N ATOM 1202 CA GLN A 96 -2.870 12.145 -0.879 1.00 0.00 C ATOM 1203 C GLN A 96 -3.942 12.835 -1.714 1.00 0.00 C ATOM 1204 O GLN A 96 -5.078 13.004 -1.273 1.00 0.00 O ATOM 1205 CB GLN A 96 -2.980 10.630 -1.051 1.00 0.00 C ATOM 1206 CG GLN A 96 -1.636 9.943 -1.165 1.00 0.00 C ATOM 1207 CD GLN A 96 -1.742 8.534 -1.714 1.00 0.00 C ATOM 1208 OE1 GLN A 96 -2.789 8.129 -2.221 1.00 0.00 O ATOM 1209 NE2 GLN A 96 -0.655 7.778 -1.615 1.00 0.00 N ATOM 0 H GLN A 96 -3.712 11.995 1.033 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.894 12.482 -1.229 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.523 10.213 -0.203 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.568 10.414 -1.943 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -0.985 10.532 -1.811 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.165 9.911 -0.183 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.191 8.155 -1.187 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.666 6.821 -1.967 1.00 0.00 H new ATOM 1218 N SER A 97 -3.571 13.217 -2.931 1.00 0.00 N ATOM 1219 CA SER A 97 -4.497 13.873 -3.844 1.00 0.00 C ATOM 1220 C SER A 97 -5.108 12.858 -4.811 1.00 0.00 C ATOM 1221 O SER A 97 -5.998 13.189 -5.595 1.00 0.00 O ATOM 1222 CB SER A 97 -3.783 14.979 -4.623 1.00 0.00 C ATOM 1223 OG SER A 97 -3.112 14.458 -5.757 1.00 0.00 O ATOM 0 H SER A 97 -2.633 13.083 -3.308 1.00 0.00 H new ATOM 0 HA SER A 97 -5.299 14.319 -3.257 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.507 15.730 -4.939 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.067 15.481 -3.973 1.00 0.00 H new ATOM 0 HG SER A 97 -2.666 15.187 -6.237 1.00 0.00 H new ATOM 1229 N ARG A 98 -4.623 11.620 -4.745 1.00 0.00 N ATOM 1230 CA ARG A 98 -5.113 10.547 -5.603 1.00 0.00 C ATOM 1231 C ARG A 98 -4.831 9.194 -4.967 1.00 0.00 C ATOM 1232 O ARG A 98 -3.756 8.978 -4.407 1.00 0.00 O ATOM 1233 CB ARG A 98 -4.461 10.626 -6.977 1.00 0.00 C ATOM 1234 CG ARG A 98 -5.432 10.357 -8.108 1.00 0.00 C ATOM 1235 CD ARG A 98 -4.758 10.471 -9.455 1.00 0.00 C ATOM 1236 NE ARG A 98 -4.416 11.854 -9.777 1.00 0.00 N ATOM 1237 CZ ARG A 98 -3.639 12.207 -10.799 1.00 0.00 C ATOM 1238 NH1 ARG A 98 -3.123 11.281 -11.600 1.00 0.00 N ATOM 1239 NH2 ARG A 98 -3.375 13.488 -11.021 1.00 0.00 N ATOM 0 H ARG A 98 -3.885 11.335 -4.101 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.190 10.663 -5.721 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.023 11.615 -7.109 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.644 9.906 -7.028 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.856 9.359 -7.995 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.260 11.063 -8.054 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -3.854 9.862 -9.461 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -5.417 10.071 -10.226 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.795 12.593 -9.184 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -3.322 10.294 -11.433 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.528 11.557 -12.382 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.767 14.203 -10.409 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.780 13.758 -11.804 1.00 0.00 H new ATOM 1253 N VAL A 99 -5.799 8.285 -5.032 1.00 0.00 N ATOM 1254 CA VAL A 99 -5.629 6.967 -4.433 1.00 0.00 C ATOM 1255 C VAL A 99 -6.031 5.842 -5.382 1.00 0.00 C ATOM 1256 O VAL A 99 -7.163 5.791 -5.863 1.00 0.00 O ATOM 1257 CB VAL A 99 -6.445 6.834 -3.133 1.00 0.00 C ATOM 1258 CG1 VAL A 99 -5.893 5.709 -2.273 1.00 0.00 C ATOM 1259 CG2 VAL A 99 -6.455 8.146 -2.363 1.00 0.00 C ATOM 0 H VAL A 99 -6.699 8.434 -5.488 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.566 6.873 -4.212 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.474 6.592 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.481 5.628 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.948 4.770 -2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.854 5.921 -2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.037 8.027 -1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.433 8.426 -2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.902 8.926 -2.979 1.00 0.00 H new ATOM 1269 N LYS A 100 -5.096 4.927 -5.623 1.00 0.00 N ATOM 1270 CA LYS A 100 -5.344 3.780 -6.487 1.00 0.00 C ATOM 1271 C LYS A 100 -5.621 2.545 -5.633 1.00 0.00 C ATOM 1272 O LYS A 100 -4.849 2.235 -4.726 1.00 0.00 O ATOM 1273 CB LYS A 100 -4.135 3.513 -7.389 1.00 0.00 C ATOM 1274 CG LYS A 100 -3.590 4.759 -8.065 1.00 0.00 C ATOM 1275 CD LYS A 100 -3.488 4.580 -9.573 1.00 0.00 C ATOM 1276 CE LYS A 100 -4.851 4.342 -10.203 1.00 0.00 C ATOM 1277 NZ LYS A 100 -4.761 4.189 -11.681 1.00 0.00 N ATOM 0 H LYS A 100 -4.156 4.960 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.209 3.998 -7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.343 3.057 -6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.416 2.789 -8.154 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.237 5.607 -7.842 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.606 4.993 -7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.032 5.466 -10.015 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.832 3.739 -9.796 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.299 3.446 -9.772 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.512 5.175 -9.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.467 3.496 -12.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.943 5.106 -12.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.809 3.858 -11.938 1.00 0.00 H new ATOM 1291 N LEU A 101 -6.719 1.847 -5.904 1.00 0.00 N ATOM 1292 CA LEU A 101 -7.056 0.661 -5.122 1.00 0.00 C ATOM 1293 C LEU A 101 -7.591 -0.461 -5.995 1.00 0.00 C ATOM 1294 O LEU A 101 -8.657 -0.345 -6.595 1.00 0.00 O ATOM 1295 CB LEU A 101 -8.094 0.997 -4.051 1.00 0.00 C ATOM 1296 CG LEU A 101 -8.009 2.410 -3.486 1.00 0.00 C ATOM 1297 CD1 LEU A 101 -9.389 2.911 -3.095 1.00 0.00 C ATOM 1298 CD2 LEU A 101 -7.061 2.448 -2.297 1.00 0.00 C ATOM 0 H LEU A 101 -7.381 2.076 -6.646 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.134 0.323 -4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.088 0.851 -4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.988 0.288 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.615 3.071 -4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.309 3.921 -2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -10.035 2.919 -3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.814 2.252 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.011 3.464 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -7.425 1.776 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.067 2.132 -2.614 1.00 0.00 H new ATOM 1310 N ASN A 102 -6.864 -1.564 -6.028 1.00 0.00 N ATOM 1311 CA ASN A 102 -7.288 -2.724 -6.795 1.00 0.00 C ATOM 1312 C ASN A 102 -8.159 -3.612 -5.923 1.00 0.00 C ATOM 1313 O ASN A 102 -7.660 -4.448 -5.172 1.00 0.00 O ATOM 1314 CB ASN A 102 -6.081 -3.502 -7.325 1.00 0.00 C ATOM 1315 CG ASN A 102 -6.173 -3.752 -8.817 1.00 0.00 C ATOM 1316 OD1 ASN A 102 -6.613 -2.739 -9.559 1.00 0.00 O flip ATOM 1317 ND2 ASN A 102 -5.853 -4.838 -9.300 1.00 0.00 N flip ATOM 0 H ASN A 102 -5.979 -1.682 -5.534 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.866 -2.388 -7.656 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.169 -2.947 -7.107 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.007 -4.456 -6.802 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -5.521 -5.588 -8.694 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -5.920 -4.988 -10.307 1.00 0.00 H new ATOM 1324 N ILE A 103 -9.466 -3.397 -6.001 1.00 0.00 N ATOM 1325 CA ILE A 103 -10.408 -4.154 -5.189 1.00 0.00 C ATOM 1326 C ILE A 103 -11.343 -5.005 -6.043 1.00 0.00 C ATOM 1327 O ILE A 103 -11.403 -4.853 -7.262 1.00 0.00 O ATOM 1328 CB ILE A 103 -11.227 -3.209 -4.279 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -12.435 -2.621 -5.010 1.00 0.00 C ATOM 1330 CG2 ILE A 103 -10.347 -2.082 -3.758 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -13.473 -2.067 -4.067 1.00 0.00 C ATOM 0 H ILE A 103 -9.896 -2.707 -6.616 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.824 -4.830 -4.565 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.595 -3.803 -3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.099 -1.829 -5.680 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -12.889 -3.393 -5.631 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.937 -1.425 -3.119 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -9.521 -2.501 -3.183 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.951 -1.511 -4.598 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.307 -1.663 -4.641 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.833 -2.862 -3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.030 -1.275 -3.463 1.00 0.00 H new ATOM 1343 N VAL A 104 -12.075 -5.896 -5.382 1.00 0.00 N ATOM 1344 CA VAL A 104 -13.017 -6.772 -6.065 1.00 0.00 C ATOM 1345 C VAL A 104 -14.447 -6.463 -5.631 1.00 0.00 C ATOM 1346 O VAL A 104 -14.783 -6.566 -4.451 1.00 0.00 O ATOM 1347 CB VAL A 104 -12.707 -8.255 -5.785 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -13.610 -9.159 -6.611 1.00 0.00 C ATOM 1349 CG2 VAL A 104 -11.243 -8.556 -6.068 1.00 0.00 C ATOM 0 H VAL A 104 -12.033 -6.030 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.915 -6.591 -7.135 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.901 -8.452 -4.731 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -13.374 -10.202 -6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.652 -8.963 -6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.452 -8.961 -7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -11.042 -9.608 -5.865 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.023 -8.340 -7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.614 -7.936 -5.429 1.00 0.00 H new ATOM 1359 N ARG A 105 -15.279 -6.074 -6.591 1.00 0.00 N ATOM 1360 CA ARG A 105 -16.669 -5.739 -6.307 1.00 0.00 C ATOM 1361 C ARG A 105 -17.573 -6.961 -6.443 1.00 0.00 C ATOM 1362 O ARG A 105 -17.639 -7.580 -7.505 1.00 0.00 O ATOM 1363 CB ARG A 105 -17.148 -4.631 -7.246 1.00 0.00 C ATOM 1364 CG ARG A 105 -17.867 -3.499 -6.532 1.00 0.00 C ATOM 1365 CD ARG A 105 -18.921 -2.860 -7.421 1.00 0.00 C ATOM 1366 NE ARG A 105 -19.975 -2.213 -6.644 1.00 0.00 N ATOM 1367 CZ ARG A 105 -20.833 -2.871 -5.868 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -20.765 -4.193 -5.761 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -21.762 -2.206 -5.194 1.00 0.00 N ATOM 0 H ARG A 105 -15.015 -5.983 -7.572 1.00 0.00 H new ATOM 0 HA ARG A 105 -16.724 -5.388 -5.277 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -16.291 -4.225 -7.783 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -17.816 -5.062 -7.992 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -18.337 -3.880 -5.625 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -17.144 -2.744 -6.224 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -18.448 -2.125 -8.073 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -19.361 -3.621 -8.065 1.00 0.00 H new ATOM 0 HE ARG A 105 -20.058 -1.198 -6.699 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -20.052 -4.710 -6.275 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -21.426 -4.691 -5.164 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -21.819 -1.190 -5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -22.420 -2.710 -4.599 1.00 0.00 H new ATOM 1384 N PRO B -3 -17.153 2.371 14.004 1.00 0.00 N ATOM 1385 CA PRO B -3 -15.820 1.893 13.636 1.00 0.00 C ATOM 1386 C PRO B -3 -14.915 3.016 13.140 1.00 0.00 C ATOM 1387 O PRO B -3 -15.391 4.071 12.721 1.00 0.00 O ATOM 1388 CB PRO B -3 -16.111 0.906 12.508 1.00 0.00 C ATOM 1389 CG PRO B -3 -17.341 1.435 11.860 1.00 0.00 C ATOM 1390 CD PRO B -3 -18.152 2.077 12.957 1.00 0.00 C ATOM 0 H2 PRO B -3 -17.120 3.377 14.169 1.00 0.00 H new ATOM 0 H3 PRO B -3 -17.441 1.935 14.880 1.00 0.00 H new ATOM 0 HA PRO B -3 -15.290 1.458 14.483 1.00 0.00 H new ATOM 0 HB2 PRO B -3 -15.282 0.853 11.803 1.00 0.00 H new ATOM 0 HB3 PRO B -3 -16.267 -0.102 12.893 1.00 0.00 H new ATOM 0 HG2 PRO B -3 -17.092 2.160 11.085 1.00 0.00 H new ATOM 0 HG3 PRO B -3 -17.902 0.634 11.379 1.00 0.00 H new ATOM 0 HD2 PRO B -3 -18.648 2.984 12.610 1.00 0.00 H new ATOM 0 HD3 PRO B -3 -18.931 1.408 13.323 1.00 0.00 H new ATOM 1398 N VAL B -2 -13.608 2.783 13.191 1.00 0.00 N ATOM 1399 CA VAL B -2 -12.637 3.775 12.745 1.00 0.00 C ATOM 1400 C VAL B -2 -12.777 4.043 11.250 1.00 0.00 C ATOM 1401 O VAL B -2 -13.049 3.132 10.468 1.00 0.00 O ATOM 1402 CB VAL B -2 -11.195 3.323 13.050 1.00 0.00 C ATOM 1403 CG1 VAL B -2 -10.879 2.017 12.339 1.00 0.00 C ATOM 1404 CG2 VAL B -2 -10.200 4.408 12.663 1.00 0.00 C ATOM 0 H VAL B -2 -13.197 1.916 13.537 1.00 0.00 H new ATOM 0 HA VAL B -2 -12.842 4.694 13.294 1.00 0.00 H new ATOM 0 HB VAL B -2 -11.109 3.152 14.123 1.00 0.00 H new ATOM 0 HG11 VAL B -2 -9.857 1.716 12.568 1.00 0.00 H new ATOM 0 HG12 VAL B -2 -11.569 1.243 12.676 1.00 0.00 H new ATOM 0 HG13 VAL B -2 -10.985 2.154 11.263 1.00 0.00 H new ATOM 0 HG21 VAL B -2 -9.188 4.070 12.886 1.00 0.00 H new ATOM 0 HG22 VAL B -2 -10.286 4.617 11.597 1.00 0.00 H new ATOM 0 HG23 VAL B -2 -10.412 5.315 13.229 1.00 0.00 H new ATOM 1414 N TYR B -1 -12.593 5.301 10.859 1.00 0.00 N ATOM 1415 CA TYR B -1 -12.702 5.688 9.457 1.00 0.00 C ATOM 1416 C TYR B -1 -11.347 6.106 8.895 1.00 0.00 C ATOM 1417 O TYR B -1 -10.600 6.847 9.534 1.00 0.00 O ATOM 1418 CB TYR B -1 -13.705 6.835 9.303 1.00 0.00 C ATOM 1419 CG TYR B -1 -15.097 6.380 8.928 1.00 0.00 C ATOM 1420 CD1 TYR B -1 -15.456 6.207 7.597 1.00 0.00 C ATOM 1421 CD2 TYR B -1 -16.051 6.124 9.904 1.00 0.00 C ATOM 1422 CE1 TYR B -1 -16.728 5.794 7.250 1.00 0.00 C ATOM 1423 CE2 TYR B -1 -17.325 5.710 9.564 1.00 0.00 C ATOM 1424 CZ TYR B -1 -17.659 5.546 8.237 1.00 0.00 C ATOM 1425 OH TYR B -1 -18.927 5.133 7.894 1.00 0.00 O ATOM 0 H TYR B -1 -12.368 6.068 11.493 1.00 0.00 H new ATOM 0 HA TYR B -1 -13.054 4.823 8.895 1.00 0.00 H new ATOM 0 HB2 TYR B -1 -13.754 7.391 10.239 1.00 0.00 H new ATOM 0 HB3 TYR B -1 -13.340 7.525 8.542 1.00 0.00 H new ATOM 0 HD1 TYR B -1 -14.729 6.398 6.821 1.00 0.00 H new ATOM 0 HD2 TYR B -1 -15.793 6.250 10.945 1.00 0.00 H new ATOM 0 HE1 TYR B -1 -16.992 5.666 6.211 1.00 0.00 H new ATOM 0 HE2 TYR B -1 -18.056 5.516 10.335 1.00 0.00 H new ATOM 0 HH TYR B -1 -19.356 4.716 8.670 1.00 0.00 H new ATOM 1435 N ILE B 0 -11.039 5.632 7.692 1.00 0.00 N ATOM 1436 CA ILE B 0 -9.778 5.962 7.039 1.00 0.00 C ATOM 1437 C ILE B 0 -10.004 6.891 5.855 1.00 0.00 C ATOM 1438 O ILE B 0 -11.173 7.252 5.605 1.00 0.00 O ATOM 1439 CB ILE B 0 -9.031 4.694 6.569 1.00 0.00 C ATOM 1440 CG1 ILE B 0 -9.873 3.887 5.570 1.00 0.00 C ATOM 1441 CG2 ILE B 0 -8.665 3.831 7.765 1.00 0.00 C ATOM 1442 CD1 ILE B 0 -10.159 4.607 4.267 1.00 0.00 C ATOM 1443 OXT ILE B 0 -9.012 7.240 5.183 1.00 0.00 O ATOM 0 H ILE B 0 -11.646 5.018 7.150 1.00 0.00 H new ATOM 0 HA ILE B 0 -9.160 6.471 7.779 1.00 0.00 H new ATOM 0 HB ILE B 0 -8.119 5.008 6.061 1.00 0.00 H new ATOM 0 HG12 ILE B 0 -9.356 2.953 5.349 1.00 0.00 H new ATOM 0 HG13 ILE B 0 -10.820 3.624 6.041 1.00 0.00 H new ATOM 0 HG21 ILE B 0 -8.139 2.940 7.423 1.00 0.00 H new ATOM 0 HG22 ILE B 0 -8.021 4.397 8.438 1.00 0.00 H new ATOM 0 HG23 ILE B 0 -9.572 3.537 8.293 1.00 0.00 H new ATOM 0 HD11 ILE B 0 -10.758 3.966 3.621 1.00 0.00 H new ATOM 0 HD12 ILE B 0 -10.705 5.527 4.472 1.00 0.00 H new ATOM 0 HD13 ILE B 0 -9.219 4.846 3.770 1.00 0.00 H new