USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 883 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 89 ASN : amide:sc= -0.534 X(o=-1.5,f=-1.1) USER MOD Set 1.2: A 94 TYR OH : rot 30:sc= -0.959 USER MOD Set 2.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -47:sc= -0.257 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -123:sc= -0.149 (180deg=-0.718) USER MOD Single : A 22 ASN : amide:sc= 0.156 X(o=0.16,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -161:sc= -0.0202 (180deg=-0.479) USER MOD Single : A 29 LYS NZ :NH3+ 144:sc= -0.0147 (180deg=-0.768) USER MOD Single : A 31 GLN : amide:sc= -3.85! C(o=-3.8!,f=-2.3!) USER MOD Single : A 34 ASN : amide:sc= -0.679 K(o=-0.68,f=-4.8!) USER MOD Single : A 35 MET CE :methyl 145:sc= 0 (180deg=-0.341) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 158:sc= 0.647 USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= -0.0658 (180deg=-0.381) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.254 USER MOD Single : A 57 GLN : amide:sc= -0.233 K(o=-0.23,f=-2.5!) USER MOD Single : A 59 SER OG : rot 180:sc= -0.113 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.528 X(o=-0.53,f=-0.071) USER MOD Single : A 69 THR OG1 : rot -42:sc= 0.458 USER MOD Single : A 71 MET CE :methyl -125:sc= -1.18 (180deg=-5.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -4.18! C(o=-4.2!,f=-12!) USER MOD Single : A 77 LYS NZ :NH3+ -139:sc= 0.946 (180deg=-0.359) USER MOD Single : A 79 GLN : amide:sc= 0.00364 X(o=0.0036,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -157:sc= 0.101 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -2.09! K(o=-2.1!,f=-2.6) USER MOD Single : A 96 MET CE :methyl -148:sc= 0 (180deg=-0.388) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 19:sc= 0.283 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.987 28.182 4.014 1.00 0.00 N ATOM 2 CA GLY A 1 -9.959 28.825 4.879 1.00 0.00 C ATOM 3 C GLY A 1 -10.060 28.158 6.236 1.00 0.00 C ATOM 4 O GLY A 1 -9.599 28.704 7.239 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.956 28.676 3.099 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.048 28.219 4.459 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.259 27.190 3.863 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.686 29.872 5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.936 28.809 4.397 1.00 0.00 H new ATOM 8 N SER A 2 -10.665 26.975 6.269 1.00 0.00 N ATOM 9 CA SER A 2 -10.830 26.236 7.515 1.00 0.00 C ATOM 10 C SER A 2 -9.656 25.289 7.744 1.00 0.00 C ATOM 11 O SER A 2 -9.489 24.304 7.024 1.00 0.00 O ATOM 12 CB SER A 2 -12.140 25.446 7.494 1.00 0.00 C ATOM 13 OG SER A 2 -12.345 24.767 8.721 1.00 0.00 O ATOM 0 H SER A 2 -11.049 26.508 5.447 1.00 0.00 H new ATOM 0 HA SER A 2 -10.860 26.955 8.334 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.974 26.123 7.305 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.122 24.727 6.675 1.00 0.00 H new ATOM 0 HG SER A 2 -13.189 24.271 8.683 1.00 0.00 H new ATOM 19 N SER A 3 -8.845 25.595 8.751 1.00 0.00 N ATOM 20 CA SER A 3 -7.683 24.774 9.074 1.00 0.00 C ATOM 21 C SER A 3 -7.990 23.830 10.232 1.00 0.00 C ATOM 22 O SER A 3 -8.029 24.242 11.390 1.00 0.00 O ATOM 23 CB SER A 3 -6.488 25.661 9.427 1.00 0.00 C ATOM 24 OG SER A 3 -5.466 24.911 10.061 1.00 0.00 O ATOM 0 H SER A 3 -8.971 26.405 9.358 1.00 0.00 H new ATOM 0 HA SER A 3 -7.436 24.176 8.197 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.095 26.124 8.522 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.812 26.468 10.084 1.00 0.00 H new ATOM 0 HG SER A 3 -4.713 25.500 10.275 1.00 0.00 H new ATOM 30 N GLY A 4 -8.208 22.558 9.909 1.00 0.00 N ATOM 31 CA GLY A 4 -8.508 21.574 10.932 1.00 0.00 C ATOM 32 C GLY A 4 -7.843 20.239 10.666 1.00 0.00 C ATOM 33 O GLY A 4 -8.193 19.543 9.712 1.00 0.00 O ATOM 0 H GLY A 4 -8.182 22.192 8.957 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.182 21.952 11.901 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.587 21.433 10.991 1.00 0.00 H new ATOM 37 N SER A 5 -6.880 19.880 11.509 1.00 0.00 N ATOM 38 CA SER A 5 -6.161 18.621 11.356 1.00 0.00 C ATOM 39 C SER A 5 -7.087 17.433 11.595 1.00 0.00 C ATOM 40 O SER A 5 -8.066 17.533 12.335 1.00 0.00 O ATOM 41 CB SER A 5 -4.979 18.563 12.327 1.00 0.00 C ATOM 42 OG SER A 5 -4.064 19.616 12.078 1.00 0.00 O ATOM 0 H SER A 5 -6.580 20.443 12.305 1.00 0.00 H new ATOM 0 HA SER A 5 -5.787 18.568 10.334 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.343 18.628 13.352 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.470 17.604 12.229 1.00 0.00 H new ATOM 0 HG SER A 5 -3.319 19.559 12.712 1.00 0.00 H new ATOM 48 N SER A 6 -6.772 16.307 10.962 1.00 0.00 N ATOM 49 CA SER A 6 -7.577 15.100 11.101 1.00 0.00 C ATOM 50 C SER A 6 -7.430 14.507 12.499 1.00 0.00 C ATOM 51 O SER A 6 -6.319 14.307 12.987 1.00 0.00 O ATOM 52 CB SER A 6 -7.169 14.065 10.050 1.00 0.00 C ATOM 53 OG SER A 6 -8.207 13.125 9.831 1.00 0.00 O ATOM 0 H SER A 6 -5.964 16.206 10.347 1.00 0.00 H new ATOM 0 HA SER A 6 -8.622 15.370 10.948 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.926 14.568 9.114 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.267 13.547 10.376 1.00 0.00 H new ATOM 0 HG SER A 6 -8.553 12.813 10.693 1.00 0.00 H new ATOM 59 N GLY A 7 -8.562 14.228 13.139 1.00 0.00 N ATOM 60 CA GLY A 7 -8.539 13.661 14.474 1.00 0.00 C ATOM 61 C GLY A 7 -9.878 13.079 14.880 1.00 0.00 C ATOM 62 O GLY A 7 -9.963 11.919 15.286 1.00 0.00 O ATOM 0 H GLY A 7 -9.494 14.385 12.756 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.778 12.882 14.521 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.250 14.432 15.188 1.00 0.00 H new ATOM 66 N THR A 8 -10.930 13.886 14.773 1.00 0.00 N ATOM 67 CA THR A 8 -12.271 13.445 15.135 1.00 0.00 C ATOM 68 C THR A 8 -12.672 12.202 14.349 1.00 0.00 C ATOM 69 O THR A 8 -13.059 11.189 14.930 1.00 0.00 O ATOM 70 CB THR A 8 -13.312 14.553 14.887 1.00 0.00 C ATOM 71 OG1 THR A 8 -12.906 15.761 15.540 1.00 0.00 O ATOM 72 CG2 THR A 8 -14.682 14.132 15.395 1.00 0.00 C ATOM 0 H THR A 8 -10.878 14.848 14.439 1.00 0.00 H new ATOM 0 HA THR A 8 -12.250 13.208 16.199 1.00 0.00 H new ATOM 0 HB THR A 8 -13.378 14.725 13.813 1.00 0.00 H new ATOM 0 HG1 THR A 8 -13.572 16.461 15.376 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.400 14.930 15.209 1.00 0.00 H new ATOM 0 HG22 THR A 8 -15.001 13.229 14.875 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.628 13.935 16.466 1.00 0.00 H new ATOM 80 N GLU A 9 -12.576 12.287 13.026 1.00 0.00 N ATOM 81 CA GLU A 9 -12.929 11.167 12.161 1.00 0.00 C ATOM 82 C GLU A 9 -14.404 10.806 12.314 1.00 0.00 C ATOM 83 O GLU A 9 -14.759 9.632 12.419 1.00 0.00 O ATOM 84 CB GLU A 9 -12.059 9.951 12.483 1.00 0.00 C ATOM 85 CG GLU A 9 -10.666 10.022 11.880 1.00 0.00 C ATOM 86 CD GLU A 9 -9.678 10.741 12.778 1.00 0.00 C ATOM 87 OE1 GLU A 9 -9.081 10.080 13.654 1.00 0.00 O ATOM 88 OE2 GLU A 9 -9.500 11.965 12.604 1.00 0.00 O ATOM 0 H GLU A 9 -12.257 13.119 12.530 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.751 11.468 11.129 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.973 9.853 13.565 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.557 9.052 12.120 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.306 9.012 11.686 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.716 10.533 10.918 1.00 0.00 H new ATOM 95 N ASP A 10 -15.258 11.824 12.327 1.00 0.00 N ATOM 96 CA ASP A 10 -16.694 11.615 12.467 1.00 0.00 C ATOM 97 C ASP A 10 -17.405 11.814 11.132 1.00 0.00 C ATOM 98 O ASP A 10 -18.263 11.019 10.749 1.00 0.00 O ATOM 99 CB ASP A 10 -17.270 12.570 13.514 1.00 0.00 C ATOM 100 CG ASP A 10 -18.770 12.415 13.675 1.00 0.00 C ATOM 101 OD1 ASP A 10 -19.243 11.262 13.752 1.00 0.00 O ATOM 102 OD2 ASP A 10 -19.470 13.448 13.724 1.00 0.00 O ATOM 0 H ASP A 10 -14.980 12.802 12.242 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.857 10.588 12.795 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.784 12.390 14.473 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.042 13.597 13.229 1.00 0.00 H new ATOM 107 N SER A 11 -17.043 12.882 10.429 1.00 0.00 N ATOM 108 CA SER A 11 -17.649 13.190 9.139 1.00 0.00 C ATOM 109 C SER A 11 -16.581 13.529 8.103 1.00 0.00 C ATOM 110 O SER A 11 -16.392 14.693 7.748 1.00 0.00 O ATOM 111 CB SER A 11 -18.630 14.355 9.277 1.00 0.00 C ATOM 112 OG SER A 11 -19.699 14.022 10.146 1.00 0.00 O ATOM 0 H SER A 11 -16.333 13.549 10.731 1.00 0.00 H new ATOM 0 HA SER A 11 -18.191 12.307 8.801 1.00 0.00 H new ATOM 0 HB2 SER A 11 -18.107 15.232 9.659 1.00 0.00 H new ATOM 0 HB3 SER A 11 -19.024 14.621 8.296 1.00 0.00 H new ATOM 0 HG SER A 11 -20.311 14.784 10.219 1.00 0.00 H new ATOM 118 N LEU A 12 -15.885 12.504 7.623 1.00 0.00 N ATOM 119 CA LEU A 12 -14.835 12.692 6.628 1.00 0.00 C ATOM 120 C LEU A 12 -15.400 12.595 5.215 1.00 0.00 C ATOM 121 O LEU A 12 -16.083 11.629 4.874 1.00 0.00 O ATOM 122 CB LEU A 12 -13.731 11.651 6.821 1.00 0.00 C ATOM 123 CG LEU A 12 -12.727 11.937 7.938 1.00 0.00 C ATOM 124 CD1 LEU A 12 -12.040 10.653 8.380 1.00 0.00 C ATOM 125 CD2 LEU A 12 -11.700 12.963 7.483 1.00 0.00 C ATOM 0 H LEU A 12 -16.029 11.535 7.907 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.414 13.688 6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.199 10.687 7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.183 11.553 5.884 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.269 12.348 8.790 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.329 10.876 9.175 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.786 9.949 8.747 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.512 10.213 7.534 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.994 13.154 8.291 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.163 12.580 6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.206 13.891 7.217 1.00 0.00 H new ATOM 137 N MET A 13 -15.110 13.600 4.396 1.00 0.00 N ATOM 138 CA MET A 13 -15.586 13.626 3.018 1.00 0.00 C ATOM 139 C MET A 13 -15.598 12.222 2.421 1.00 0.00 C ATOM 140 O MET A 13 -14.700 11.414 2.658 1.00 0.00 O ATOM 141 CB MET A 13 -14.709 14.547 2.169 1.00 0.00 C ATOM 142 CG MET A 13 -15.462 15.235 1.042 1.00 0.00 C ATOM 143 SD MET A 13 -14.626 16.720 0.453 1.00 0.00 S ATOM 144 CE MET A 13 -14.811 17.798 1.871 1.00 0.00 C ATOM 0 H MET A 13 -14.547 14.408 4.663 1.00 0.00 H new ATOM 0 HA MET A 13 -16.606 14.010 3.020 1.00 0.00 H new ATOM 0 HB2 MET A 13 -14.263 15.305 2.813 1.00 0.00 H new ATOM 0 HB3 MET A 13 -13.890 13.966 1.746 1.00 0.00 H new ATOM 0 HG2 MET A 13 -15.583 14.538 0.213 1.00 0.00 H new ATOM 0 HG3 MET A 13 -16.462 15.498 1.386 1.00 0.00 H new ATOM 0 HE1 MET A 13 -15.318 18.714 1.568 1.00 0.00 H new ATOM 0 HE2 MET A 13 -15.400 17.294 2.637 1.00 0.00 H new ATOM 0 HE3 MET A 13 -13.828 18.043 2.272 1.00 0.00 H new ATOM 154 N PRO A 14 -16.637 11.924 1.628 1.00 0.00 N ATOM 155 CA PRO A 14 -16.789 10.618 0.980 1.00 0.00 C ATOM 156 C PRO A 14 -15.759 10.393 -0.121 1.00 0.00 C ATOM 157 O PRO A 14 -14.813 11.167 -0.265 1.00 0.00 O ATOM 158 CB PRO A 14 -18.200 10.678 0.388 1.00 0.00 C ATOM 159 CG PRO A 14 -18.466 12.130 0.189 1.00 0.00 C ATOM 160 CD PRO A 14 -17.744 12.839 1.301 1.00 0.00 C ATOM 0 HA PRO A 14 -16.640 9.796 1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.258 10.132 -0.554 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -18.931 10.230 1.061 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.106 12.463 -0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.535 12.339 0.222 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.378 13.815 0.984 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -18.394 13.006 2.160 1.00 0.00 H new ATOM 168 N GLU A 15 -15.949 9.330 -0.896 1.00 0.00 N ATOM 169 CA GLU A 15 -15.035 9.004 -1.984 1.00 0.00 C ATOM 170 C GLU A 15 -15.558 9.541 -3.313 1.00 0.00 C ATOM 171 O GLU A 15 -14.855 10.260 -4.023 1.00 0.00 O ATOM 172 CB GLU A 15 -14.835 7.490 -2.076 1.00 0.00 C ATOM 173 CG GLU A 15 -13.525 7.089 -2.733 1.00 0.00 C ATOM 174 CD GLU A 15 -13.199 5.621 -2.534 1.00 0.00 C ATOM 175 OE1 GLU A 15 -12.694 5.266 -1.449 1.00 0.00 O ATOM 176 OE2 GLU A 15 -13.449 4.827 -3.466 1.00 0.00 O ATOM 0 H GLU A 15 -16.728 8.680 -0.790 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.076 9.477 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.874 7.065 -1.073 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -15.662 7.056 -2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.577 7.305 -3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.717 7.696 -2.324 1.00 0.00 H new ATOM 183 N GLU A 16 -16.796 9.186 -3.642 1.00 0.00 N ATOM 184 CA GLU A 16 -17.412 9.631 -4.887 1.00 0.00 C ATOM 185 C GLU A 16 -17.131 11.109 -5.135 1.00 0.00 C ATOM 186 O GLU A 16 -16.938 11.532 -6.275 1.00 0.00 O ATOM 187 CB GLU A 16 -18.923 9.387 -4.849 1.00 0.00 C ATOM 188 CG GLU A 16 -19.690 10.443 -4.071 1.00 0.00 C ATOM 189 CD GLU A 16 -19.638 10.216 -2.573 1.00 0.00 C ATOM 190 OE1 GLU A 16 -19.419 9.061 -2.154 1.00 0.00 O ATOM 191 OE2 GLU A 16 -19.815 11.196 -1.819 1.00 0.00 O ATOM 0 H GLU A 16 -17.392 8.592 -3.065 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.978 9.055 -5.704 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.303 9.352 -5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.114 8.410 -4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.280 11.427 -4.300 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.730 10.447 -4.398 1.00 0.00 H new ATOM 198 N GLU A 17 -17.109 11.891 -4.060 1.00 0.00 N ATOM 199 CA GLU A 17 -16.852 13.322 -4.162 1.00 0.00 C ATOM 200 C GLU A 17 -15.353 13.604 -4.207 1.00 0.00 C ATOM 201 O GLU A 17 -14.896 14.477 -4.947 1.00 0.00 O ATOM 202 CB GLU A 17 -17.486 14.062 -2.982 1.00 0.00 C ATOM 203 CG GLU A 17 -19.004 14.008 -2.975 1.00 0.00 C ATOM 204 CD GLU A 17 -19.619 14.733 -4.156 1.00 0.00 C ATOM 205 OE1 GLU A 17 -19.219 15.888 -4.416 1.00 0.00 O ATOM 206 OE2 GLU A 17 -20.499 14.147 -4.820 1.00 0.00 O ATOM 0 H GLU A 17 -17.266 11.557 -3.109 1.00 0.00 H new ATOM 0 HA GLU A 17 -17.299 13.680 -5.089 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.111 13.634 -2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -17.168 15.104 -3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.327 12.967 -2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.375 14.448 -2.050 1.00 0.00 H new ATOM 213 N PHE A 18 -14.592 12.861 -3.411 1.00 0.00 N ATOM 214 CA PHE A 18 -13.145 13.031 -3.358 1.00 0.00 C ATOM 215 C PHE A 18 -12.555 13.112 -4.763 1.00 0.00 C ATOM 216 O PHE A 18 -11.915 14.101 -5.123 1.00 0.00 O ATOM 217 CB PHE A 18 -12.502 11.875 -2.589 1.00 0.00 C ATOM 218 CG PHE A 18 -11.001 11.900 -2.614 1.00 0.00 C ATOM 219 CD1 PHE A 18 -10.307 11.554 -3.762 1.00 0.00 C ATOM 220 CD2 PHE A 18 -10.283 12.270 -1.488 1.00 0.00 C ATOM 221 CE1 PHE A 18 -8.925 11.577 -3.788 1.00 0.00 C ATOM 222 CE2 PHE A 18 -8.901 12.295 -1.508 1.00 0.00 C ATOM 223 CZ PHE A 18 -8.221 11.947 -2.659 1.00 0.00 C ATOM 0 H PHE A 18 -14.954 12.135 -2.793 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.933 13.966 -2.839 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -12.841 11.905 -1.553 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -12.849 10.931 -3.010 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.852 11.263 -4.648 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -10.809 12.542 -0.585 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.397 11.306 -4.690 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.353 12.586 -0.624 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.141 11.964 -2.676 1.00 0.00 H new ATOM 233 N LEU A 19 -12.775 12.066 -5.552 1.00 0.00 N ATOM 234 CA LEU A 19 -12.265 12.018 -6.918 1.00 0.00 C ATOM 235 C LEU A 19 -12.590 13.307 -7.666 1.00 0.00 C ATOM 236 O LEU A 19 -11.843 13.729 -8.549 1.00 0.00 O ATOM 237 CB LEU A 19 -12.858 10.820 -7.662 1.00 0.00 C ATOM 238 CG LEU A 19 -12.624 9.451 -7.024 1.00 0.00 C ATOM 239 CD1 LEU A 19 -13.137 8.344 -7.932 1.00 0.00 C ATOM 240 CD2 LEU A 19 -11.146 9.250 -6.719 1.00 0.00 C ATOM 0 H LEU A 19 -13.303 11.240 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.181 11.910 -6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.933 10.974 -7.760 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.445 10.804 -8.671 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.178 9.410 -6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.962 7.377 -7.461 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.206 8.477 -8.100 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.612 8.383 -8.886 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.998 8.270 -6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.572 9.312 -7.644 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.808 10.024 -6.030 1.00 0.00 H new ATOM 252 N ARG A 20 -13.707 13.930 -7.305 1.00 0.00 N ATOM 253 CA ARG A 20 -14.129 15.172 -7.941 1.00 0.00 C ATOM 254 C ARG A 20 -13.333 16.357 -7.403 1.00 0.00 C ATOM 255 O ARG A 20 -13.142 17.356 -8.096 1.00 0.00 O ATOM 256 CB ARG A 20 -15.624 15.403 -7.714 1.00 0.00 C ATOM 257 CG ARG A 20 -16.499 14.261 -8.206 1.00 0.00 C ATOM 258 CD ARG A 20 -17.964 14.499 -7.875 1.00 0.00 C ATOM 259 NE ARG A 20 -18.854 13.784 -8.785 1.00 0.00 N ATOM 260 CZ ARG A 20 -20.121 14.126 -8.993 1.00 0.00 C ATOM 261 NH1 ARG A 20 -20.643 15.166 -8.359 1.00 0.00 N ATOM 262 NH2 ARG A 20 -20.868 13.426 -9.838 1.00 0.00 N ATOM 0 H ARG A 20 -14.336 13.595 -6.575 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.939 15.085 -9.011 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -15.802 15.553 -6.649 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -15.922 16.322 -8.220 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -16.382 14.150 -9.284 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.169 13.327 -7.752 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -18.161 14.181 -6.851 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -18.178 15.567 -7.923 1.00 0.00 H new ATOM 0 HE ARG A 20 -18.483 12.978 -9.288 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -20.072 15.706 -7.709 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -21.616 15.426 -8.521 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -20.469 12.625 -10.328 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -21.841 13.689 -9.997 1.00 0.00 H new ATOM 276 N ARG A 21 -12.871 16.238 -6.162 1.00 0.00 N ATOM 277 CA ARG A 21 -12.097 17.300 -5.530 1.00 0.00 C ATOM 278 C ARG A 21 -10.602 17.089 -5.753 1.00 0.00 C ATOM 279 O ARG A 21 -9.945 17.887 -6.420 1.00 0.00 O ATOM 280 CB ARG A 21 -12.397 17.356 -4.031 1.00 0.00 C ATOM 281 CG ARG A 21 -13.825 17.765 -3.711 1.00 0.00 C ATOM 282 CD ARG A 21 -14.057 19.242 -3.989 1.00 0.00 C ATOM 283 NE ARG A 21 -15.479 19.575 -4.029 1.00 0.00 N ATOM 284 CZ ARG A 21 -16.202 19.842 -2.947 1.00 0.00 C ATOM 285 NH1 ARG A 21 -15.639 19.817 -1.746 1.00 0.00 N ATOM 286 NH2 ARG A 21 -17.490 20.137 -3.064 1.00 0.00 N ATOM 0 H ARG A 21 -13.019 15.417 -5.575 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.385 18.247 -5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.202 16.377 -3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.712 18.059 -3.558 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.517 17.169 -4.305 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.039 17.553 -2.664 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.567 19.837 -3.219 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.595 19.509 -4.940 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.942 19.604 -4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -14.649 19.592 -1.652 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.197 20.022 -0.917 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -17.926 20.159 -3.986 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.044 20.342 -2.232 1.00 0.00 H new ATOM 300 N ASN A 22 -10.071 16.009 -5.189 1.00 0.00 N ATOM 301 CA ASN A 22 -8.654 15.694 -5.325 1.00 0.00 C ATOM 302 C ASN A 22 -8.439 14.587 -6.353 1.00 0.00 C ATOM 303 O ASN A 22 -9.371 13.866 -6.709 1.00 0.00 O ATOM 304 CB ASN A 22 -8.072 15.271 -3.975 1.00 0.00 C ATOM 305 CG ASN A 22 -8.590 16.122 -2.831 1.00 0.00 C ATOM 306 OD1 ASN A 22 -8.125 17.241 -2.615 1.00 0.00 O ATOM 307 ND2 ASN A 22 -9.558 15.592 -2.091 1.00 0.00 N ATOM 0 H ASN A 22 -10.601 15.337 -4.633 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.140 16.591 -5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.318 14.226 -3.787 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.985 15.341 -4.013 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.946 16.117 -1.307 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.913 14.660 -2.307 1.00 0.00 H new ATOM 314 N LYS A 23 -7.204 14.457 -6.825 1.00 0.00 N ATOM 315 CA LYS A 23 -6.864 13.437 -7.810 1.00 0.00 C ATOM 316 C LYS A 23 -5.352 13.335 -7.988 1.00 0.00 C ATOM 317 O LYS A 23 -4.673 14.340 -8.194 1.00 0.00 O ATOM 318 CB LYS A 23 -7.526 13.755 -9.152 1.00 0.00 C ATOM 319 CG LYS A 23 -7.256 15.165 -9.646 1.00 0.00 C ATOM 320 CD LYS A 23 -6.041 15.214 -10.557 1.00 0.00 C ATOM 321 CE LYS A 23 -6.430 15.022 -12.015 1.00 0.00 C ATOM 322 NZ LYS A 23 -6.436 13.584 -12.402 1.00 0.00 N ATOM 0 H LYS A 23 -6.421 15.046 -6.541 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.235 12.478 -7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.173 13.044 -9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.603 13.612 -9.059 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.129 15.537 -10.182 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.100 15.826 -8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.534 16.171 -10.438 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.333 14.439 -10.263 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.418 15.448 -12.186 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.733 15.567 -12.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.384 13.503 -13.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.616 13.106 -11.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.312 13.137 -12.063 1.00 0.00 H new ATOM 336 N GLY A 24 -4.832 12.114 -7.910 1.00 0.00 N ATOM 337 CA GLY A 24 -3.405 11.904 -8.066 1.00 0.00 C ATOM 338 C GLY A 24 -2.884 12.427 -9.390 1.00 0.00 C ATOM 339 O GLY A 24 -3.562 13.171 -10.098 1.00 0.00 O ATOM 0 H GLY A 24 -5.374 11.266 -7.742 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.877 12.398 -7.250 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.187 10.839 -7.988 1.00 0.00 H new ATOM 343 N PRO A 25 -1.649 12.036 -9.740 1.00 0.00 N ATOM 344 CA PRO A 25 -0.832 11.151 -8.904 1.00 0.00 C ATOM 345 C PRO A 25 -0.359 11.835 -7.626 1.00 0.00 C ATOM 346 O PRO A 25 -0.040 13.024 -7.628 1.00 0.00 O ATOM 347 CB PRO A 25 0.360 10.815 -9.804 1.00 0.00 C ATOM 348 CG PRO A 25 0.455 11.961 -10.751 1.00 0.00 C ATOM 349 CD PRO A 25 -0.956 12.428 -10.979 1.00 0.00 C ATOM 0 HA PRO A 25 -1.390 10.277 -8.568 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.276 10.705 -9.223 1.00 0.00 H new ATOM 0 HB3 PRO A 25 0.203 9.875 -10.334 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.068 12.761 -10.336 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.921 11.656 -11.688 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.002 13.505 -11.142 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.400 11.954 -11.855 1.00 0.00 H new ATOM 357 N VAL A 26 -0.315 11.076 -6.536 1.00 0.00 N ATOM 358 CA VAL A 26 0.121 11.608 -5.251 1.00 0.00 C ATOM 359 C VAL A 26 1.422 10.955 -4.798 1.00 0.00 C ATOM 360 O VAL A 26 1.583 9.739 -4.890 1.00 0.00 O ATOM 361 CB VAL A 26 -0.951 11.399 -4.164 1.00 0.00 C ATOM 362 CG1 VAL A 26 -2.267 12.037 -4.581 1.00 0.00 C ATOM 363 CG2 VAL A 26 -1.135 9.917 -3.876 1.00 0.00 C ATOM 0 H VAL A 26 -0.576 10.090 -6.517 1.00 0.00 H new ATOM 0 HA VAL A 26 0.284 12.677 -5.390 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.614 11.885 -3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.011 11.879 -3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.121 13.107 -4.732 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.613 11.583 -5.510 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.896 9.788 -3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.449 9.406 -4.786 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.192 9.494 -3.529 1.00 0.00 H new ATOM 373 N SER A 27 2.349 11.773 -4.308 1.00 0.00 N ATOM 374 CA SER A 27 3.638 11.276 -3.844 1.00 0.00 C ATOM 375 C SER A 27 3.650 11.131 -2.325 1.00 0.00 C ATOM 376 O SER A 27 3.714 12.122 -1.597 1.00 0.00 O ATOM 377 CB SER A 27 4.761 12.216 -4.287 1.00 0.00 C ATOM 378 OG SER A 27 5.972 11.508 -4.484 1.00 0.00 O ATOM 0 H SER A 27 2.231 12.782 -4.222 1.00 0.00 H new ATOM 0 HA SER A 27 3.801 10.293 -4.287 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.475 12.718 -5.211 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.908 12.991 -3.535 1.00 0.00 H new ATOM 0 HG SER A 27 6.673 12.131 -4.768 1.00 0.00 H new ATOM 384 N ILE A 28 3.588 9.890 -1.855 1.00 0.00 N ATOM 385 CA ILE A 28 3.592 9.614 -0.424 1.00 0.00 C ATOM 386 C ILE A 28 4.950 9.089 0.031 1.00 0.00 C ATOM 387 O ILE A 28 5.622 8.359 -0.699 1.00 0.00 O ATOM 388 CB ILE A 28 2.505 8.592 -0.044 1.00 0.00 C ATOM 389 CG1 ILE A 28 2.759 7.259 -0.751 1.00 0.00 C ATOM 390 CG2 ILE A 28 1.126 9.130 -0.395 1.00 0.00 C ATOM 391 CD1 ILE A 28 2.040 6.090 -0.113 1.00 0.00 C ATOM 0 H ILE A 28 3.534 9.059 -2.445 1.00 0.00 H new ATOM 0 HA ILE A 28 3.383 10.558 0.080 1.00 0.00 H new ATOM 0 HB ILE A 28 2.544 8.424 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.446 7.343 -1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.830 7.058 -0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.368 8.396 -0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.948 10.057 0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.073 9.323 -1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.266 5.178 -0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.371 5.979 0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.965 6.269 -0.133 1.00 0.00 H new ATOM 403 N LYS A 29 5.348 9.463 1.242 1.00 0.00 N ATOM 404 CA LYS A 29 6.624 9.028 1.797 1.00 0.00 C ATOM 405 C LYS A 29 6.412 8.020 2.922 1.00 0.00 C ATOM 406 O LYS A 29 5.807 8.335 3.946 1.00 0.00 O ATOM 407 CB LYS A 29 7.413 10.231 2.318 1.00 0.00 C ATOM 408 CG LYS A 29 8.919 10.057 2.225 1.00 0.00 C ATOM 409 CD LYS A 29 9.651 11.353 2.530 1.00 0.00 C ATOM 410 CE LYS A 29 9.880 12.174 1.270 1.00 0.00 C ATOM 411 NZ LYS A 29 8.753 13.111 1.006 1.00 0.00 N ATOM 0 H LYS A 29 4.805 10.067 1.859 1.00 0.00 H new ATOM 0 HA LYS A 29 7.192 8.545 1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.123 11.117 1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.140 10.411 3.358 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.240 9.284 2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.185 9.715 1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.074 11.938 3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.609 11.129 2.999 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.807 12.739 1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.003 11.505 0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.124 13.996 0.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.091 12.677 0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.256 13.316 1.896 1.00 0.00 H new ATOM 425 N VAL A 30 6.916 6.806 2.724 1.00 0.00 N ATOM 426 CA VAL A 30 6.784 5.752 3.723 1.00 0.00 C ATOM 427 C VAL A 30 7.980 5.738 4.668 1.00 0.00 C ATOM 428 O VAL A 30 9.081 5.343 4.285 1.00 0.00 O ATOM 429 CB VAL A 30 6.649 4.367 3.063 1.00 0.00 C ATOM 430 CG1 VAL A 30 6.559 3.277 4.121 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.437 4.331 2.144 1.00 0.00 C ATOM 0 H VAL A 30 7.419 6.528 1.881 1.00 0.00 H new ATOM 0 HA VAL A 30 5.878 5.965 4.291 1.00 0.00 H new ATOM 0 HB VAL A 30 7.539 4.182 2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.464 2.306 3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.460 3.290 4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.688 3.454 4.752 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.357 3.345 1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.536 4.537 2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.549 5.085 1.365 1.00 0.00 H new ATOM 441 N GLN A 31 7.756 6.170 5.905 1.00 0.00 N ATOM 442 CA GLN A 31 8.816 6.207 6.905 1.00 0.00 C ATOM 443 C GLN A 31 9.164 4.801 7.381 1.00 0.00 C ATOM 444 O GLN A 31 8.436 4.205 8.175 1.00 0.00 O ATOM 445 CB GLN A 31 8.394 7.071 8.094 1.00 0.00 C ATOM 446 CG GLN A 31 9.558 7.518 8.965 1.00 0.00 C ATOM 447 CD GLN A 31 10.414 6.359 9.435 1.00 0.00 C ATOM 448 OE1 GLN A 31 10.123 5.730 10.452 1.00 0.00 O ATOM 449 NE2 GLN A 31 11.478 6.070 8.694 1.00 0.00 N ATOM 0 H GLN A 31 6.850 6.499 6.238 1.00 0.00 H new ATOM 0 HA GLN A 31 9.701 6.644 6.444 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.869 7.952 7.724 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.687 6.511 8.706 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.178 8.219 8.405 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.173 8.055 9.832 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.682 6.618 7.858 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.091 5.300 8.961 1.00 0.00 H new ATOM 458 N VAL A 32 10.283 4.275 6.892 1.00 0.00 N ATOM 459 CA VAL A 32 10.729 2.939 7.268 1.00 0.00 C ATOM 460 C VAL A 32 11.724 2.996 8.421 1.00 0.00 C ATOM 461 O VAL A 32 12.875 3.404 8.262 1.00 0.00 O ATOM 462 CB VAL A 32 11.380 2.209 6.078 1.00 0.00 C ATOM 463 CG1 VAL A 32 11.750 0.785 6.463 1.00 0.00 C ATOM 464 CG2 VAL A 32 10.451 2.220 4.874 1.00 0.00 C ATOM 0 H VAL A 32 10.897 4.755 6.234 1.00 0.00 H new ATOM 0 HA VAL A 32 9.844 2.387 7.583 1.00 0.00 H new ATOM 0 HB VAL A 32 12.295 2.736 5.807 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.209 0.285 5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.455 0.804 7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.852 0.244 6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.927 1.700 4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.518 1.718 5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.241 3.250 4.586 1.00 0.00 H new ATOM 474 N PRO A 33 11.273 2.577 9.613 1.00 0.00 N ATOM 475 CA PRO A 33 12.109 2.570 10.818 1.00 0.00 C ATOM 476 C PRO A 33 13.209 1.516 10.754 1.00 0.00 C ATOM 477 O PRO A 33 13.231 0.683 9.849 1.00 0.00 O ATOM 478 CB PRO A 33 11.116 2.240 11.936 1.00 0.00 C ATOM 479 CG PRO A 33 10.017 1.496 11.259 1.00 0.00 C ATOM 480 CD PRO A 33 9.913 2.078 9.876 1.00 0.00 C ATOM 0 HA PRO A 33 12.631 3.517 10.958 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.582 1.636 12.714 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.744 3.146 12.415 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.236 0.429 11.218 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.078 1.608 11.801 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.612 1.327 9.146 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.175 2.879 9.832 1.00 0.00 H new ATOM 488 N ASN A 34 14.120 1.559 11.720 1.00 0.00 N ATOM 489 CA ASN A 34 15.223 0.606 11.773 1.00 0.00 C ATOM 490 C ASN A 34 15.050 -0.363 12.939 1.00 0.00 C ATOM 491 O ASN A 34 15.124 0.031 14.102 1.00 0.00 O ATOM 492 CB ASN A 34 16.556 1.346 11.904 1.00 0.00 C ATOM 493 CG ASN A 34 17.695 0.421 12.288 1.00 0.00 C ATOM 494 OD1 ASN A 34 18.189 -0.349 11.465 1.00 0.00 O ATOM 495 ND2 ASN A 34 18.116 0.493 13.546 1.00 0.00 N ATOM 0 H ASN A 34 14.117 2.243 12.477 1.00 0.00 H new ATOM 0 HA ASN A 34 15.221 0.034 10.845 1.00 0.00 H new ATOM 0 HB2 ASN A 34 16.792 1.835 10.959 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.460 2.131 12.654 1.00 0.00 H new ATOM 0 HD21 ASN A 34 18.879 -0.105 13.864 1.00 0.00 H new ATOM 0 HD22 ASN A 34 17.677 1.147 14.194 1.00 0.00 H new ATOM 502 N MET A 35 14.820 -1.632 12.617 1.00 0.00 N ATOM 503 CA MET A 35 14.638 -2.658 13.637 1.00 0.00 C ATOM 504 C MET A 35 15.809 -3.635 13.640 1.00 0.00 C ATOM 505 O MET A 35 15.922 -4.483 12.755 1.00 0.00 O ATOM 506 CB MET A 35 13.329 -3.413 13.404 1.00 0.00 C ATOM 507 CG MET A 35 12.126 -2.764 14.070 1.00 0.00 C ATOM 508 SD MET A 35 11.914 -1.039 13.592 1.00 0.00 S ATOM 509 CE MET A 35 10.476 -0.593 14.562 1.00 0.00 C ATOM 0 H MET A 35 14.755 -1.974 11.658 1.00 0.00 H new ATOM 0 HA MET A 35 14.596 -2.166 14.609 1.00 0.00 H new ATOM 0 HB2 MET A 35 13.146 -3.484 12.332 1.00 0.00 H new ATOM 0 HB3 MET A 35 13.435 -4.432 13.777 1.00 0.00 H new ATOM 0 HG2 MET A 35 11.227 -3.322 13.810 1.00 0.00 H new ATOM 0 HG3 MET A 35 12.238 -2.826 15.153 1.00 0.00 H new ATOM 0 HE1 MET A 35 10.564 0.444 14.888 1.00 0.00 H new ATOM 0 HE2 MET A 35 9.578 -0.708 13.955 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.410 -1.243 15.435 1.00 0.00 H new ATOM 519 N GLN A 36 16.677 -3.510 14.638 1.00 0.00 N ATOM 520 CA GLN A 36 17.840 -4.383 14.753 1.00 0.00 C ATOM 521 C GLN A 36 17.557 -5.543 15.702 1.00 0.00 C ATOM 522 O GLN A 36 18.418 -6.392 15.934 1.00 0.00 O ATOM 523 CB GLN A 36 19.052 -3.590 15.245 1.00 0.00 C ATOM 524 CG GLN A 36 20.374 -4.315 15.047 1.00 0.00 C ATOM 525 CD GLN A 36 20.876 -4.233 13.618 1.00 0.00 C ATOM 526 OE1 GLN A 36 20.579 -5.098 12.794 1.00 0.00 O ATOM 527 NE2 GLN A 36 21.641 -3.190 13.318 1.00 0.00 N ATOM 0 H GLN A 36 16.598 -2.813 15.379 1.00 0.00 H new ATOM 0 HA GLN A 36 18.057 -4.790 13.765 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.088 -2.635 14.720 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.924 -3.367 16.304 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.122 -3.889 15.716 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.256 -5.362 15.327 1.00 0.00 H new ATOM 0 HE21 GLN A 36 21.862 -2.497 14.033 1.00 0.00 H new ATOM 0 HE22 GLN A 36 22.008 -3.082 12.372 1.00 0.00 H new ATOM 536 N ASP A 37 16.347 -5.572 16.249 1.00 0.00 N ATOM 537 CA ASP A 37 15.951 -6.629 17.172 1.00 0.00 C ATOM 538 C ASP A 37 15.819 -7.964 16.446 1.00 0.00 C ATOM 539 O ASP A 37 14.718 -8.494 16.293 1.00 0.00 O ATOM 540 CB ASP A 37 14.628 -6.272 17.853 1.00 0.00 C ATOM 541 CG ASP A 37 14.227 -7.285 18.906 1.00 0.00 C ATOM 542 OD1 ASP A 37 15.064 -7.596 19.779 1.00 0.00 O ATOM 543 OD2 ASP A 37 13.076 -7.767 18.858 1.00 0.00 O ATOM 0 H ASP A 37 15.623 -4.876 16.069 1.00 0.00 H new ATOM 0 HA ASP A 37 16.728 -6.724 17.931 1.00 0.00 H new ATOM 0 HB2 ASP A 37 14.714 -5.288 18.314 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.842 -6.204 17.101 1.00 0.00 H new ATOM 548 N LYS A 38 16.948 -8.503 16.000 1.00 0.00 N ATOM 549 CA LYS A 38 16.961 -9.777 15.290 1.00 0.00 C ATOM 550 C LYS A 38 15.674 -9.968 14.493 1.00 0.00 C ATOM 551 O LYS A 38 14.977 -10.971 14.651 1.00 0.00 O ATOM 552 CB LYS A 38 17.139 -10.933 16.277 1.00 0.00 C ATOM 553 CG LYS A 38 17.852 -12.135 15.683 1.00 0.00 C ATOM 554 CD LYS A 38 19.335 -11.863 15.487 1.00 0.00 C ATOM 555 CE LYS A 38 20.078 -13.116 15.053 1.00 0.00 C ATOM 556 NZ LYS A 38 20.374 -14.014 16.204 1.00 0.00 N ATOM 0 H LYS A 38 17.867 -8.077 16.118 1.00 0.00 H new ATOM 0 HA LYS A 38 17.801 -9.769 14.595 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.701 -10.579 17.141 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.159 -11.245 16.639 1.00 0.00 H new ATOM 0 HG2 LYS A 38 17.723 -12.996 16.338 1.00 0.00 H new ATOM 0 HG3 LYS A 38 17.399 -12.392 14.726 1.00 0.00 H new ATOM 0 HD2 LYS A 38 19.467 -11.082 14.738 1.00 0.00 H new ATOM 0 HD3 LYS A 38 19.763 -11.488 16.417 1.00 0.00 H new ATOM 0 HE2 LYS A 38 19.482 -13.655 14.317 1.00 0.00 H new ATOM 0 HE3 LYS A 38 21.010 -12.834 14.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 20.881 -14.857 15.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 20.964 -13.509 16.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 19.483 -14.304 16.656 1.00 0.00 H new ATOM 570 N THR A 39 15.365 -9.001 13.635 1.00 0.00 N ATOM 571 CA THR A 39 14.163 -9.063 12.814 1.00 0.00 C ATOM 572 C THR A 39 14.495 -9.472 11.383 1.00 0.00 C ATOM 573 O THR A 39 15.517 -9.063 10.833 1.00 0.00 O ATOM 574 CB THR A 39 13.427 -7.710 12.791 1.00 0.00 C ATOM 575 OG1 THR A 39 12.354 -7.752 11.845 1.00 0.00 O ATOM 576 CG2 THR A 39 14.382 -6.581 12.434 1.00 0.00 C ATOM 0 H THR A 39 15.931 -8.165 13.491 1.00 0.00 H new ATOM 0 HA THR A 39 13.513 -9.814 13.263 1.00 0.00 H new ATOM 0 HB THR A 39 13.025 -7.523 13.787 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.693 -7.065 12.070 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.840 -5.635 12.424 1.00 0.00 H new ATOM 0 HG22 THR A 39 15.181 -6.533 13.173 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.810 -6.764 11.448 1.00 0.00 H new ATOM 584 N GLU A 40 13.625 -10.280 10.786 1.00 0.00 N ATOM 585 CA GLU A 40 13.828 -10.743 9.419 1.00 0.00 C ATOM 586 C GLU A 40 13.207 -9.773 8.418 1.00 0.00 C ATOM 587 O GLU A 40 12.652 -10.187 7.399 1.00 0.00 O ATOM 588 CB GLU A 40 13.226 -12.138 9.235 1.00 0.00 C ATOM 589 CG GLU A 40 11.749 -12.214 9.582 1.00 0.00 C ATOM 590 CD GLU A 40 11.153 -13.580 9.301 1.00 0.00 C ATOM 591 OE1 GLU A 40 11.737 -14.586 9.756 1.00 0.00 O ATOM 592 OE2 GLU A 40 10.104 -13.643 8.627 1.00 0.00 O ATOM 0 H GLU A 40 12.773 -10.627 11.227 1.00 0.00 H new ATOM 0 HA GLU A 40 14.901 -10.791 9.234 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.364 -12.450 8.200 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.774 -12.846 9.857 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.615 -11.973 10.636 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.206 -11.461 9.011 1.00 0.00 H new ATOM 599 N TRP A 41 13.304 -8.483 8.716 1.00 0.00 N ATOM 600 CA TRP A 41 12.751 -7.453 7.843 1.00 0.00 C ATOM 601 C TRP A 41 13.836 -6.481 7.394 1.00 0.00 C ATOM 602 O TRP A 41 14.824 -6.269 8.097 1.00 0.00 O ATOM 603 CB TRP A 41 11.633 -6.694 8.560 1.00 0.00 C ATOM 604 CG TRP A 41 10.552 -7.588 9.088 1.00 0.00 C ATOM 605 CD1 TRP A 41 10.145 -8.781 8.561 1.00 0.00 C ATOM 606 CD2 TRP A 41 9.740 -7.359 10.244 1.00 0.00 C ATOM 607 NE1 TRP A 41 9.128 -9.307 9.321 1.00 0.00 N ATOM 608 CE2 TRP A 41 8.862 -8.455 10.360 1.00 0.00 C ATOM 609 CE3 TRP A 41 9.670 -6.337 11.194 1.00 0.00 C ATOM 610 CZ2 TRP A 41 7.927 -8.553 11.387 1.00 0.00 C ATOM 611 CZ3 TRP A 41 8.742 -6.436 12.213 1.00 0.00 C ATOM 612 CH2 TRP A 41 7.880 -7.538 12.303 1.00 0.00 C ATOM 0 H TRP A 41 13.760 -8.125 9.555 1.00 0.00 H new ATOM 0 HA TRP A 41 12.340 -7.942 6.960 1.00 0.00 H new ATOM 0 HB2 TRP A 41 12.061 -6.126 9.386 1.00 0.00 H new ATOM 0 HB3 TRP A 41 11.194 -5.972 7.871 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.561 -9.242 7.678 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.649 -10.189 9.141 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.330 -5.484 11.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.262 -9.401 11.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.680 -5.651 12.952 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.165 -7.587 13.111 1.00 0.00 H new ATOM 623 N LYS A 42 13.646 -5.891 6.218 1.00 0.00 N ATOM 624 CA LYS A 42 14.608 -4.939 5.675 1.00 0.00 C ATOM 625 C LYS A 42 14.416 -3.558 6.295 1.00 0.00 C ATOM 626 O LYS A 42 14.126 -2.587 5.596 1.00 0.00 O ATOM 627 CB LYS A 42 14.466 -4.851 4.154 1.00 0.00 C ATOM 628 CG LYS A 42 14.777 -6.153 3.438 1.00 0.00 C ATOM 629 CD LYS A 42 16.231 -6.217 3.002 1.00 0.00 C ATOM 630 CE LYS A 42 17.095 -6.909 4.045 1.00 0.00 C ATOM 631 NZ LYS A 42 16.776 -8.359 4.156 1.00 0.00 N ATOM 0 H LYS A 42 12.834 -6.056 5.623 1.00 0.00 H new ATOM 0 HA LYS A 42 15.610 -5.292 5.921 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.449 -4.546 3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.131 -4.073 3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.557 -6.993 4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.130 -6.253 2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 42 16.305 -6.751 2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 42 16.605 -5.208 2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 42 18.146 -6.787 3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.949 -6.430 5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.599 -8.867 4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.964 -8.488 4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.542 -8.736 3.215 1.00 0.00 H new ATOM 645 N LEU A 43 14.581 -3.478 7.611 1.00 0.00 N ATOM 646 CA LEU A 43 14.428 -2.215 8.325 1.00 0.00 C ATOM 647 C LEU A 43 15.787 -1.640 8.713 1.00 0.00 C ATOM 648 O LEU A 43 16.380 -2.043 9.712 1.00 0.00 O ATOM 649 CB LEU A 43 13.571 -2.415 9.576 1.00 0.00 C ATOM 650 CG LEU A 43 12.133 -2.879 9.338 1.00 0.00 C ATOM 651 CD1 LEU A 43 11.429 -3.135 10.661 1.00 0.00 C ATOM 652 CD2 LEU A 43 11.371 -1.851 8.515 1.00 0.00 C ATOM 0 H LEU A 43 14.821 -4.272 8.205 1.00 0.00 H new ATOM 0 HA LEU A 43 13.931 -1.508 7.660 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.065 -3.144 10.218 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.542 -1.474 10.126 1.00 0.00 H new ATOM 0 HG LEU A 43 12.160 -3.814 8.779 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.407 -3.464 10.472 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.963 -3.908 11.214 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.411 -2.216 11.247 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.350 -2.197 8.355 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.353 -0.900 9.047 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.864 -1.718 7.552 1.00 0.00 H new ATOM 664 N ASN A 44 16.272 -0.694 7.915 1.00 0.00 N ATOM 665 CA ASN A 44 17.560 -0.062 8.175 1.00 0.00 C ATOM 666 C ASN A 44 17.458 1.455 8.048 1.00 0.00 C ATOM 667 O ASN A 44 18.264 2.087 7.367 1.00 0.00 O ATOM 668 CB ASN A 44 18.619 -0.596 7.208 1.00 0.00 C ATOM 669 CG ASN A 44 20.011 -0.583 7.810 1.00 0.00 C ATOM 670 OD1 ASN A 44 20.320 -1.370 8.704 1.00 0.00 O ATOM 671 ND2 ASN A 44 20.858 0.314 7.320 1.00 0.00 N ATOM 0 H ASN A 44 15.793 -0.349 7.084 1.00 0.00 H new ATOM 0 HA ASN A 44 17.855 -0.304 9.196 1.00 0.00 H new ATOM 0 HB2 ASN A 44 18.361 -1.614 6.918 1.00 0.00 H new ATOM 0 HB3 ASN A 44 18.614 0.006 6.299 1.00 0.00 H new ATOM 0 HD21 ASN A 44 21.809 0.370 7.685 1.00 0.00 H new ATOM 0 HD22 ASN A 44 20.558 0.947 6.578 1.00 0.00 H new ATOM 678 N GLY A 45 16.459 2.033 8.709 1.00 0.00 N ATOM 679 CA GLY A 45 16.269 3.471 8.657 1.00 0.00 C ATOM 680 C GLY A 45 16.354 4.016 7.245 1.00 0.00 C ATOM 681 O GLY A 45 17.425 4.420 6.792 1.00 0.00 O ATOM 0 H GLY A 45 15.778 1.531 9.279 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.297 3.722 9.082 1.00 0.00 H new ATOM 0 HA3 GLY A 45 17.023 3.957 9.277 1.00 0.00 H new ATOM 685 N GLN A 46 15.222 4.027 6.548 1.00 0.00 N ATOM 686 CA GLN A 46 15.174 4.524 5.178 1.00 0.00 C ATOM 687 C GLN A 46 13.778 5.031 4.832 1.00 0.00 C ATOM 688 O GLN A 46 12.842 4.887 5.617 1.00 0.00 O ATOM 689 CB GLN A 46 15.588 3.424 4.199 1.00 0.00 C ATOM 690 CG GLN A 46 14.665 2.217 4.214 1.00 0.00 C ATOM 691 CD GLN A 46 15.186 1.073 3.368 1.00 0.00 C ATOM 692 OE1 GLN A 46 16.193 1.208 2.672 1.00 0.00 O ATOM 693 NE2 GLN A 46 14.501 -0.064 3.422 1.00 0.00 N ATOM 0 H GLN A 46 14.327 3.698 6.909 1.00 0.00 H new ATOM 0 HA GLN A 46 15.874 5.356 5.095 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.615 3.838 3.191 1.00 0.00 H new ATOM 0 HB3 GLN A 46 16.601 3.099 4.437 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.537 1.875 5.241 1.00 0.00 H new ATOM 0 HG3 GLN A 46 13.681 2.513 3.851 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.672 -0.132 4.012 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.804 -0.869 2.873 1.00 0.00 H new ATOM 702 N GLY A 47 13.646 5.627 3.650 1.00 0.00 N ATOM 703 CA GLY A 47 12.361 6.147 3.221 1.00 0.00 C ATOM 704 C GLY A 47 11.936 5.600 1.872 1.00 0.00 C ATOM 705 O GLY A 47 12.686 5.676 0.898 1.00 0.00 O ATOM 0 H GLY A 47 14.406 5.759 2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.605 5.898 3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.411 7.235 3.169 1.00 0.00 H new ATOM 709 N LEU A 48 10.730 5.045 1.815 1.00 0.00 N ATOM 710 CA LEU A 48 10.206 4.481 0.576 1.00 0.00 C ATOM 711 C LEU A 48 9.063 5.332 0.031 1.00 0.00 C ATOM 712 O LEU A 48 7.994 5.415 0.636 1.00 0.00 O ATOM 713 CB LEU A 48 9.724 3.048 0.808 1.00 0.00 C ATOM 714 CG LEU A 48 10.747 2.086 1.414 1.00 0.00 C ATOM 715 CD1 LEU A 48 10.096 0.751 1.740 1.00 0.00 C ATOM 716 CD2 LEU A 48 11.923 1.892 0.468 1.00 0.00 C ATOM 0 H LEU A 48 10.097 4.974 2.612 1.00 0.00 H new ATOM 0 HA LEU A 48 11.011 4.472 -0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.853 3.080 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.391 2.639 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 48 11.121 2.520 2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.839 0.079 2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.288 0.905 2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.693 0.310 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.641 1.205 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.566 1.480 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.406 2.852 0.286 1.00 0.00 H new ATOM 728 N VAL A 49 9.295 5.962 -1.116 1.00 0.00 N ATOM 729 CA VAL A 49 8.285 6.804 -1.745 1.00 0.00 C ATOM 730 C VAL A 49 7.664 6.109 -2.952 1.00 0.00 C ATOM 731 O VAL A 49 8.349 5.415 -3.703 1.00 0.00 O ATOM 732 CB VAL A 49 8.877 8.153 -2.192 1.00 0.00 C ATOM 733 CG1 VAL A 49 7.819 8.997 -2.888 1.00 0.00 C ATOM 734 CG2 VAL A 49 9.465 8.897 -1.002 1.00 0.00 C ATOM 0 H VAL A 49 10.175 5.905 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 49 7.514 6.985 -0.996 1.00 0.00 H new ATOM 0 HB VAL A 49 9.679 7.959 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.256 9.947 -3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.449 8.466 -3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.993 9.184 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.879 9.848 -1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.683 9.080 -0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.255 8.296 -0.551 1.00 0.00 H new ATOM 744 N PHE A 50 6.361 6.300 -3.132 1.00 0.00 N ATOM 745 CA PHE A 50 5.647 5.692 -4.248 1.00 0.00 C ATOM 746 C PHE A 50 4.547 6.617 -4.759 1.00 0.00 C ATOM 747 O PHE A 50 3.678 7.049 -4.000 1.00 0.00 O ATOM 748 CB PHE A 50 5.044 4.350 -3.825 1.00 0.00 C ATOM 749 CG PHE A 50 6.023 3.446 -3.132 1.00 0.00 C ATOM 750 CD1 PHE A 50 7.103 2.917 -3.820 1.00 0.00 C ATOM 751 CD2 PHE A 50 5.862 3.124 -1.794 1.00 0.00 C ATOM 752 CE1 PHE A 50 8.006 2.084 -3.185 1.00 0.00 C ATOM 753 CE2 PHE A 50 6.761 2.292 -1.155 1.00 0.00 C ATOM 754 CZ PHE A 50 7.834 1.771 -1.851 1.00 0.00 C ATOM 0 H PHE A 50 5.779 6.871 -2.519 1.00 0.00 H new ATOM 0 HA PHE A 50 6.361 5.524 -5.055 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.198 4.533 -3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.653 3.842 -4.707 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.241 3.158 -4.864 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.025 3.528 -1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.845 1.679 -3.732 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.625 2.049 -0.112 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.537 1.120 -1.353 1.00 0.00 H new ATOM 764 N THR A 51 4.590 6.920 -6.053 1.00 0.00 N ATOM 765 CA THR A 51 3.599 7.796 -6.667 1.00 0.00 C ATOM 766 C THR A 51 2.488 6.989 -7.329 1.00 0.00 C ATOM 767 O THR A 51 2.715 6.302 -8.326 1.00 0.00 O ATOM 768 CB THR A 51 4.242 8.722 -7.717 1.00 0.00 C ATOM 769 OG1 THR A 51 5.320 9.456 -7.127 1.00 0.00 O ATOM 770 CG2 THR A 51 3.214 9.688 -8.286 1.00 0.00 C ATOM 0 H THR A 51 5.301 6.572 -6.696 1.00 0.00 H new ATOM 0 HA THR A 51 3.176 8.404 -5.868 1.00 0.00 H new ATOM 0 HB THR A 51 4.626 8.105 -8.529 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.725 10.041 -7.801 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.690 10.332 -9.025 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.409 9.126 -8.759 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.805 10.299 -7.482 1.00 0.00 H new ATOM 778 N LEU A 52 1.286 7.078 -6.770 1.00 0.00 N ATOM 779 CA LEU A 52 0.138 6.356 -7.308 1.00 0.00 C ATOM 780 C LEU A 52 -1.136 7.185 -7.177 1.00 0.00 C ATOM 781 O LEU A 52 -1.330 7.922 -6.210 1.00 0.00 O ATOM 782 CB LEU A 52 -0.034 5.019 -6.585 1.00 0.00 C ATOM 783 CG LEU A 52 1.253 4.256 -6.270 1.00 0.00 C ATOM 784 CD1 LEU A 52 1.802 4.672 -4.914 1.00 0.00 C ATOM 785 CD2 LEU A 52 1.007 2.755 -6.310 1.00 0.00 C ATOM 0 H LEU A 52 1.081 7.642 -5.945 1.00 0.00 H new ATOM 0 HA LEU A 52 0.321 6.169 -8.366 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.564 5.200 -5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.672 4.379 -7.194 1.00 0.00 H new ATOM 0 HG LEU A 52 1.994 4.503 -7.030 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.718 4.119 -4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.017 5.740 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.065 4.455 -4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.934 2.228 -6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.250 2.491 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.661 2.469 -7.303 1.00 0.00 H new ATOM 797 N PRO A 53 -2.027 7.062 -8.172 1.00 0.00 N ATOM 798 CA PRO A 53 -3.300 7.790 -8.190 1.00 0.00 C ATOM 799 C PRO A 53 -4.270 7.287 -7.126 1.00 0.00 C ATOM 800 O PRO A 53 -4.049 6.241 -6.514 1.00 0.00 O ATOM 801 CB PRO A 53 -3.849 7.510 -9.591 1.00 0.00 C ATOM 802 CG PRO A 53 -3.225 6.218 -9.991 1.00 0.00 C ATOM 803 CD PRO A 53 -1.862 6.202 -9.356 1.00 0.00 C ATOM 0 HA PRO A 53 -3.167 8.850 -7.974 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.937 7.439 -9.583 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.587 8.308 -10.286 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.824 5.373 -9.650 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.151 6.140 -11.076 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.559 5.192 -9.080 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.099 6.590 -10.031 1.00 0.00 H new ATOM 811 N LEU A 54 -5.345 8.037 -6.911 1.00 0.00 N ATOM 812 CA LEU A 54 -6.351 7.667 -5.921 1.00 0.00 C ATOM 813 C LEU A 54 -7.378 6.711 -6.520 1.00 0.00 C ATOM 814 O LEU A 54 -8.443 7.130 -6.973 1.00 0.00 O ATOM 815 CB LEU A 54 -7.052 8.917 -5.386 1.00 0.00 C ATOM 816 CG LEU A 54 -6.266 9.743 -4.367 1.00 0.00 C ATOM 817 CD1 LEU A 54 -5.434 8.836 -3.474 1.00 0.00 C ATOM 818 CD2 LEU A 54 -5.380 10.759 -5.073 1.00 0.00 C ATOM 0 H LEU A 54 -5.543 8.905 -7.409 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.847 7.160 -5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.300 9.560 -6.231 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.994 8.613 -4.929 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.976 10.284 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.881 9.441 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.091 8.148 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.733 8.268 -4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.828 11.338 -4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.677 10.239 -5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.999 11.429 -5.669 1.00 0.00 H new ATOM 830 N THR A 55 -7.051 5.422 -6.516 1.00 0.00 N ATOM 831 CA THR A 55 -7.945 4.406 -7.057 1.00 0.00 C ATOM 832 C THR A 55 -8.180 3.288 -6.049 1.00 0.00 C ATOM 833 O THR A 55 -9.247 3.203 -5.440 1.00 0.00 O ATOM 834 CB THR A 55 -7.384 3.800 -8.357 1.00 0.00 C ATOM 835 OG1 THR A 55 -5.991 3.508 -8.201 1.00 0.00 O ATOM 836 CG2 THR A 55 -7.580 4.752 -9.528 1.00 0.00 C ATOM 0 H THR A 55 -6.174 5.058 -6.144 1.00 0.00 H new ATOM 0 HA THR A 55 -8.892 4.901 -7.274 1.00 0.00 H new ATOM 0 HB THR A 55 -7.927 2.878 -8.565 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.643 3.121 -9.032 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.176 4.302 -10.435 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.644 4.948 -9.663 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.061 5.689 -9.326 1.00 0.00 H new ATOM 844 N ASP A 56 -7.179 2.433 -5.876 1.00 0.00 N ATOM 845 CA ASP A 56 -7.277 1.320 -4.939 1.00 0.00 C ATOM 846 C ASP A 56 -7.205 1.815 -3.498 1.00 0.00 C ATOM 847 O ASP A 56 -7.156 3.019 -3.247 1.00 0.00 O ATOM 848 CB ASP A 56 -6.161 0.307 -5.199 1.00 0.00 C ATOM 849 CG ASP A 56 -6.520 -0.684 -6.289 1.00 0.00 C ATOM 850 OD1 ASP A 56 -7.117 -0.260 -7.301 1.00 0.00 O ATOM 851 OD2 ASP A 56 -6.205 -1.882 -6.130 1.00 0.00 O ATOM 0 H ASP A 56 -6.290 2.489 -6.372 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.241 0.834 -5.090 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.251 0.837 -5.480 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.943 -0.234 -4.278 1.00 0.00 H new ATOM 856 N GLN A 57 -7.202 0.878 -2.555 1.00 0.00 N ATOM 857 CA GLN A 57 -7.139 1.220 -1.139 1.00 0.00 C ATOM 858 C GLN A 57 -5.710 1.118 -0.617 1.00 0.00 C ATOM 859 O GLN A 57 -4.796 0.740 -1.350 1.00 0.00 O ATOM 860 CB GLN A 57 -8.057 0.303 -0.329 1.00 0.00 C ATOM 861 CG GLN A 57 -9.526 0.430 -0.700 1.00 0.00 C ATOM 862 CD GLN A 57 -10.295 -0.858 -0.489 1.00 0.00 C ATOM 863 OE1 GLN A 57 -9.710 -1.907 -0.216 1.00 0.00 O ATOM 864 NE2 GLN A 57 -11.616 -0.787 -0.612 1.00 0.00 N ATOM 0 H GLN A 57 -7.242 -0.123 -2.746 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.475 2.251 -1.025 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.743 -0.731 -0.473 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.938 0.528 0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.980 1.221 -0.104 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.608 0.731 -1.744 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.060 0.103 -0.839 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.186 -1.622 -0.479 1.00 0.00 H new ATOM 873 N VAL A 58 -5.523 1.457 0.654 1.00 0.00 N ATOM 874 CA VAL A 58 -4.205 1.403 1.275 1.00 0.00 C ATOM 875 C VAL A 58 -3.536 0.056 1.026 1.00 0.00 C ATOM 876 O VAL A 58 -2.309 -0.048 1.020 1.00 0.00 O ATOM 877 CB VAL A 58 -4.289 1.650 2.793 1.00 0.00 C ATOM 878 CG1 VAL A 58 -2.901 1.618 3.416 1.00 0.00 C ATOM 879 CG2 VAL A 58 -4.981 2.973 3.080 1.00 0.00 C ATOM 0 H VAL A 58 -6.268 1.772 1.275 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.607 2.192 0.819 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.881 0.852 3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.980 1.794 4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.446 0.643 3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.282 2.394 2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.031 3.131 4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.418 3.785 2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.990 2.953 2.669 1.00 0.00 H new ATOM 889 N SER A 59 -4.350 -0.974 0.820 1.00 0.00 N ATOM 890 CA SER A 59 -3.837 -2.317 0.574 1.00 0.00 C ATOM 891 C SER A 59 -2.704 -2.286 -0.447 1.00 0.00 C ATOM 892 O SER A 59 -1.633 -2.849 -0.220 1.00 0.00 O ATOM 893 CB SER A 59 -4.959 -3.232 0.080 1.00 0.00 C ATOM 894 OG SER A 59 -5.521 -2.744 -1.126 1.00 0.00 O ATOM 0 H SER A 59 -5.368 -0.905 0.818 1.00 0.00 H new ATOM 0 HA SER A 59 -3.446 -2.708 1.513 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.570 -4.238 -0.077 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.734 -3.306 0.842 1.00 0.00 H new ATOM 0 HG SER A 59 -6.234 -3.347 -1.422 1.00 0.00 H new ATOM 900 N VAL A 60 -2.949 -1.625 -1.574 1.00 0.00 N ATOM 901 CA VAL A 60 -1.950 -1.520 -2.631 1.00 0.00 C ATOM 902 C VAL A 60 -0.673 -0.864 -2.117 1.00 0.00 C ATOM 903 O VAL A 60 0.409 -1.075 -2.666 1.00 0.00 O ATOM 904 CB VAL A 60 -2.483 -0.711 -3.828 1.00 0.00 C ATOM 905 CG1 VAL A 60 -3.662 -1.424 -4.472 1.00 0.00 C ATOM 906 CG2 VAL A 60 -2.873 0.693 -3.391 1.00 0.00 C ATOM 0 H VAL A 60 -3.830 -1.154 -1.778 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.727 -2.536 -2.958 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.689 -0.629 -4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.025 -0.837 -5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.346 -2.407 -4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.461 -1.540 -3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.247 1.250 -4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.651 0.634 -2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.001 1.202 -2.980 1.00 0.00 H new ATOM 916 N ILE A 61 -0.807 -0.069 -1.061 1.00 0.00 N ATOM 917 CA ILE A 61 0.336 0.617 -0.472 1.00 0.00 C ATOM 918 C ILE A 61 1.259 -0.366 0.242 1.00 0.00 C ATOM 919 O ILE A 61 2.471 -0.164 0.304 1.00 0.00 O ATOM 920 CB ILE A 61 -0.110 1.701 0.526 1.00 0.00 C ATOM 921 CG1 ILE A 61 -1.153 2.618 -0.116 1.00 0.00 C ATOM 922 CG2 ILE A 61 1.088 2.507 1.005 1.00 0.00 C ATOM 923 CD1 ILE A 61 -0.634 3.375 -1.318 1.00 0.00 C ATOM 0 H ILE A 61 -1.696 0.116 -0.596 1.00 0.00 H new ATOM 0 HA ILE A 61 0.876 1.090 -1.292 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.563 1.214 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.014 2.021 -0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.505 3.332 0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.755 3.269 1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.800 1.844 1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.568 2.987 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.427 4.005 -1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.208 3.999 -1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.309 2.668 -2.081 1.00 0.00 H new ATOM 935 N LYS A 62 0.676 -1.433 0.778 1.00 0.00 N ATOM 936 CA LYS A 62 1.444 -2.451 1.485 1.00 0.00 C ATOM 937 C LYS A 62 2.250 -3.301 0.508 1.00 0.00 C ATOM 938 O LYS A 62 3.472 -3.403 0.619 1.00 0.00 O ATOM 939 CB LYS A 62 0.512 -3.345 2.305 1.00 0.00 C ATOM 940 CG LYS A 62 -0.357 -2.578 3.288 1.00 0.00 C ATOM 941 CD LYS A 62 -0.750 -3.440 4.475 1.00 0.00 C ATOM 942 CE LYS A 62 -1.154 -2.592 5.671 1.00 0.00 C ATOM 943 NZ LYS A 62 -1.615 -3.427 6.814 1.00 0.00 N ATOM 0 H LYS A 62 -0.327 -1.615 0.736 1.00 0.00 H new ATOM 0 HA LYS A 62 2.137 -1.945 2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.130 -3.906 1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.110 -4.073 2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.180 -1.697 3.639 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.255 -2.223 2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.577 -4.092 4.194 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.085 -4.084 4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.307 -1.982 5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.950 -1.907 5.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.881 -2.811 7.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.439 -3.991 6.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.848 -4.063 7.111 1.00 0.00 H new ATOM 957 N VAL A 63 1.559 -3.908 -0.452 1.00 0.00 N ATOM 958 CA VAL A 63 2.211 -4.747 -1.450 1.00 0.00 C ATOM 959 C VAL A 63 3.511 -4.115 -1.934 1.00 0.00 C ATOM 960 O VAL A 63 4.460 -4.815 -2.290 1.00 0.00 O ATOM 961 CB VAL A 63 1.292 -4.995 -2.661 1.00 0.00 C ATOM 962 CG1 VAL A 63 1.230 -3.760 -3.547 1.00 0.00 C ATOM 963 CG2 VAL A 63 1.768 -6.205 -3.451 1.00 0.00 C ATOM 0 H VAL A 63 0.547 -3.834 -0.559 1.00 0.00 H new ATOM 0 HA VAL A 63 2.431 -5.700 -0.968 1.00 0.00 H new ATOM 0 HB VAL A 63 0.286 -5.201 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.576 -3.955 -4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.839 -2.920 -2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.231 -3.519 -3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.108 -6.366 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.783 -6.031 -3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.755 -7.086 -2.810 1.00 0.00 H new ATOM 973 N LYS A 64 3.550 -2.787 -1.943 1.00 0.00 N ATOM 974 CA LYS A 64 4.734 -2.059 -2.381 1.00 0.00 C ATOM 975 C LYS A 64 5.866 -2.202 -1.369 1.00 0.00 C ATOM 976 O LYS A 64 7.026 -2.383 -1.742 1.00 0.00 O ATOM 977 CB LYS A 64 4.402 -0.579 -2.585 1.00 0.00 C ATOM 978 CG LYS A 64 3.361 -0.332 -3.664 1.00 0.00 C ATOM 979 CD LYS A 64 3.957 -0.469 -5.055 1.00 0.00 C ATOM 980 CE LYS A 64 3.087 0.209 -6.103 1.00 0.00 C ATOM 981 NZ LYS A 64 3.319 -0.351 -7.463 1.00 0.00 N ATOM 0 H LYS A 64 2.774 -2.193 -1.651 1.00 0.00 H new ATOM 0 HA LYS A 64 5.062 -2.485 -3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.043 -0.163 -1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.315 -0.043 -2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.540 -1.039 -3.548 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.941 0.667 -3.544 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.955 -0.030 -5.069 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.070 -1.525 -5.302 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.037 0.090 -5.836 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.295 1.279 -6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.708 0.137 -8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.315 -0.215 -7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.096 -1.367 -7.463 1.00 0.00 H new ATOM 995 N ILE A 65 5.522 -2.120 -0.088 1.00 0.00 N ATOM 996 CA ILE A 65 6.509 -2.243 0.977 1.00 0.00 C ATOM 997 C ILE A 65 7.160 -3.622 0.967 1.00 0.00 C ATOM 998 O ILE A 65 8.382 -3.743 0.872 1.00 0.00 O ATOM 999 CB ILE A 65 5.879 -1.995 2.360 1.00 0.00 C ATOM 1000 CG1 ILE A 65 5.317 -0.574 2.441 1.00 0.00 C ATOM 1001 CG2 ILE A 65 6.905 -2.227 3.459 1.00 0.00 C ATOM 1002 CD1 ILE A 65 4.263 -0.401 3.513 1.00 0.00 C ATOM 0 H ILE A 65 4.567 -1.969 0.237 1.00 0.00 H new ATOM 0 HA ILE A 65 7.269 -1.484 0.792 1.00 0.00 H new ATOM 0 HB ILE A 65 5.059 -2.699 2.501 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.135 0.121 2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.889 -0.306 1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.444 -2.048 4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.263 -3.255 3.411 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.744 -1.544 3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.910 0.630 3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.427 -1.071 3.313 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.692 -0.637 4.487 1.00 0.00 H new ATOM 1014 N HIS A 66 6.335 -4.660 1.065 1.00 0.00 N ATOM 1015 CA HIS A 66 6.830 -6.032 1.064 1.00 0.00 C ATOM 1016 C HIS A 66 7.656 -6.311 -0.188 1.00 0.00 C ATOM 1017 O HIS A 66 8.649 -7.036 -0.137 1.00 0.00 O ATOM 1018 CB HIS A 66 5.663 -7.017 1.150 1.00 0.00 C ATOM 1019 CG HIS A 66 6.090 -8.453 1.141 1.00 0.00 C ATOM 1020 ND1 HIS A 66 6.180 -9.203 -0.013 1.00 0.00 N ATOM 1021 CD2 HIS A 66 6.454 -9.275 2.152 1.00 0.00 C ATOM 1022 CE1 HIS A 66 6.579 -10.426 0.290 1.00 0.00 C ATOM 1023 NE2 HIS A 66 6.753 -10.495 1.598 1.00 0.00 N ATOM 0 H HIS A 66 5.322 -4.577 1.146 1.00 0.00 H new ATOM 0 HA HIS A 66 7.471 -6.162 1.936 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.098 -6.820 2.061 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.988 -6.842 0.312 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.501 -9.019 3.200 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.736 -11.232 -0.412 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.060 -11.321 2.113 1.00 0.00 H new ATOM 1032 N GLU A 67 7.237 -5.733 -1.309 1.00 0.00 N ATOM 1033 CA GLU A 67 7.938 -5.922 -2.573 1.00 0.00 C ATOM 1034 C GLU A 67 9.407 -5.529 -2.445 1.00 0.00 C ATOM 1035 O GLU A 67 10.287 -6.184 -3.002 1.00 0.00 O ATOM 1036 CB GLU A 67 7.273 -5.099 -3.678 1.00 0.00 C ATOM 1037 CG GLU A 67 6.194 -5.855 -4.435 1.00 0.00 C ATOM 1038 CD GLU A 67 6.762 -6.783 -5.490 1.00 0.00 C ATOM 1039 OE1 GLU A 67 7.086 -6.298 -6.594 1.00 0.00 O ATOM 1040 OE2 GLU A 67 6.882 -7.995 -5.212 1.00 0.00 O ATOM 0 H GLU A 67 6.416 -5.130 -1.368 1.00 0.00 H new ATOM 0 HA GLU A 67 7.884 -6.979 -2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.836 -4.202 -3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.036 -4.769 -4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.599 -6.435 -3.729 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.520 -5.141 -4.909 1.00 0.00 H new ATOM 1047 N ALA A 68 9.664 -4.453 -1.707 1.00 0.00 N ATOM 1048 CA ALA A 68 11.025 -3.973 -1.504 1.00 0.00 C ATOM 1049 C ALA A 68 11.631 -4.561 -0.234 1.00 0.00 C ATOM 1050 O ALA A 68 12.658 -5.238 -0.280 1.00 0.00 O ATOM 1051 CB ALA A 68 11.045 -2.453 -1.446 1.00 0.00 C ATOM 0 H ALA A 68 8.947 -3.898 -1.240 1.00 0.00 H new ATOM 0 HA ALA A 68 11.630 -4.301 -2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.068 -2.108 -1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.661 -2.048 -2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.421 -2.112 -0.620 1.00 0.00 H new ATOM 1057 N THR A 69 10.988 -4.298 0.899 1.00 0.00 N ATOM 1058 CA THR A 69 11.465 -4.800 2.182 1.00 0.00 C ATOM 1059 C THR A 69 10.888 -6.178 2.482 1.00 0.00 C ATOM 1060 O THR A 69 9.848 -6.557 1.945 1.00 0.00 O ATOM 1061 CB THR A 69 11.099 -3.841 3.331 1.00 0.00 C ATOM 1062 OG1 THR A 69 9.676 -3.746 3.455 1.00 0.00 O ATOM 1063 CG2 THR A 69 11.686 -2.459 3.091 1.00 0.00 C ATOM 0 H THR A 69 10.136 -3.740 0.955 1.00 0.00 H new ATOM 0 HA THR A 69 12.550 -4.872 2.110 1.00 0.00 H new ATOM 0 HB THR A 69 11.518 -4.240 4.255 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.274 -3.682 2.564 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.414 -1.800 3.915 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.772 -2.531 3.027 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.294 -2.054 2.158 1.00 0.00 H new ATOM 1071 N GLY A 70 11.570 -6.925 3.345 1.00 0.00 N ATOM 1072 CA GLY A 70 11.109 -8.254 3.702 1.00 0.00 C ATOM 1073 C GLY A 70 10.041 -8.228 4.776 1.00 0.00 C ATOM 1074 O GLY A 70 9.931 -9.159 5.574 1.00 0.00 O ATOM 0 H GLY A 70 12.433 -6.633 3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.715 -8.749 2.814 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.955 -8.847 4.049 1.00 0.00 H new ATOM 1078 N MET A 71 9.252 -7.159 4.798 1.00 0.00 N ATOM 1079 CA MET A 71 8.187 -7.016 5.784 1.00 0.00 C ATOM 1080 C MET A 71 6.839 -7.415 5.191 1.00 0.00 C ATOM 1081 O MET A 71 6.475 -7.009 4.087 1.00 0.00 O ATOM 1082 CB MET A 71 8.125 -5.575 6.294 1.00 0.00 C ATOM 1083 CG MET A 71 7.393 -5.429 7.618 1.00 0.00 C ATOM 1084 SD MET A 71 7.730 -3.854 8.429 1.00 0.00 S ATOM 1085 CE MET A 71 7.059 -4.163 10.061 1.00 0.00 C ATOM 0 H MET A 71 9.330 -6.379 4.145 1.00 0.00 H new ATOM 0 HA MET A 71 8.408 -7.681 6.619 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.140 -5.194 6.406 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.632 -4.954 5.546 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.320 -5.523 7.448 1.00 0.00 H new ATOM 0 HG3 MET A 71 7.684 -6.244 8.281 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.329 -3.392 10.306 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.575 -5.139 10.076 1.00 0.00 H new ATOM 0 HE3 MET A 71 7.865 -4.146 10.795 1.00 0.00 H new ATOM 1095 N PRO A 72 6.081 -8.231 5.938 1.00 0.00 N ATOM 1096 CA PRO A 72 4.762 -8.703 5.506 1.00 0.00 C ATOM 1097 C PRO A 72 3.723 -7.587 5.493 1.00 0.00 C ATOM 1098 O PRO A 72 3.885 -6.567 6.162 1.00 0.00 O ATOM 1099 CB PRO A 72 4.402 -9.758 6.554 1.00 0.00 C ATOM 1100 CG PRO A 72 5.174 -9.367 7.767 1.00 0.00 C ATOM 1101 CD PRO A 72 6.452 -8.755 7.263 1.00 0.00 C ATOM 0 HA PRO A 72 4.780 -9.086 4.486 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.330 -9.768 6.753 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.673 -10.759 6.218 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.614 -8.656 8.374 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.377 -10.233 8.396 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.806 -7.963 7.923 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.251 -9.493 7.194 1.00 0.00 H new ATOM 1109 N ALA A 73 2.655 -7.789 4.729 1.00 0.00 N ATOM 1110 CA ALA A 73 1.587 -6.801 4.632 1.00 0.00 C ATOM 1111 C ALA A 73 0.552 -7.002 5.733 1.00 0.00 C ATOM 1112 O ALA A 73 -0.651 -6.895 5.494 1.00 0.00 O ATOM 1113 CB ALA A 73 0.926 -6.871 3.263 1.00 0.00 C ATOM 0 H ALA A 73 2.506 -8.628 4.168 1.00 0.00 H new ATOM 0 HA ALA A 73 2.027 -5.812 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.131 -6.128 3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.668 -6.670 2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.505 -7.865 3.112 1.00 0.00 H new ATOM 1119 N GLY A 74 1.027 -7.294 6.940 1.00 0.00 N ATOM 1120 CA GLY A 74 0.128 -7.506 8.059 1.00 0.00 C ATOM 1121 C GLY A 74 0.694 -6.982 9.364 1.00 0.00 C ATOM 1122 O GLY A 74 0.101 -6.111 10.002 1.00 0.00 O ATOM 0 H GLY A 74 2.018 -7.387 7.163 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.823 -7.014 7.855 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.079 -8.572 8.158 1.00 0.00 H new ATOM 1126 N LYS A 75 1.843 -7.514 9.765 1.00 0.00 N ATOM 1127 CA LYS A 75 2.491 -7.096 11.003 1.00 0.00 C ATOM 1128 C LYS A 75 2.693 -5.584 11.027 1.00 0.00 C ATOM 1129 O LYS A 75 2.413 -4.928 12.030 1.00 0.00 O ATOM 1130 CB LYS A 75 3.838 -7.804 11.162 1.00 0.00 C ATOM 1131 CG LYS A 75 3.735 -9.162 11.836 1.00 0.00 C ATOM 1132 CD LYS A 75 3.790 -9.039 13.349 1.00 0.00 C ATOM 1133 CE LYS A 75 4.282 -10.326 13.995 1.00 0.00 C ATOM 1134 NZ LYS A 75 3.183 -11.316 14.165 1.00 0.00 N ATOM 0 H LYS A 75 2.346 -8.237 9.250 1.00 0.00 H new ATOM 0 HA LYS A 75 1.843 -7.372 11.835 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.292 -7.929 10.179 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.507 -7.169 11.743 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.803 -9.645 11.543 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.547 -9.802 11.492 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.450 -8.217 13.625 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.799 -8.794 13.732 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.071 -10.761 13.382 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.721 -10.100 14.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.558 -12.179 14.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.441 -10.910 14.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.781 -11.551 13.235 1.00 0.00 H new ATOM 1148 N GLN A 76 3.180 -5.039 9.917 1.00 0.00 N ATOM 1149 CA GLN A 76 3.419 -3.604 9.812 1.00 0.00 C ATOM 1150 C GLN A 76 2.103 -2.833 9.803 1.00 0.00 C ATOM 1151 O GLN A 76 1.187 -3.156 9.047 1.00 0.00 O ATOM 1152 CB GLN A 76 4.218 -3.290 8.546 1.00 0.00 C ATOM 1153 CG GLN A 76 3.405 -3.415 7.268 1.00 0.00 C ATOM 1154 CD GLN A 76 4.188 -3.003 6.036 1.00 0.00 C ATOM 1155 OE1 GLN A 76 4.977 -2.059 6.075 1.00 0.00 O ATOM 1156 NE2 GLN A 76 3.973 -3.711 4.934 1.00 0.00 N ATOM 0 H GLN A 76 3.417 -5.569 9.078 1.00 0.00 H new ATOM 0 HA GLN A 76 3.996 -3.292 10.683 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.613 -2.277 8.618 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.074 -3.963 8.490 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.071 -4.446 7.154 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.511 -2.797 7.349 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.310 -4.486 4.947 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.471 -3.480 4.074 1.00 0.00 H new ATOM 1165 N LYS A 77 2.016 -1.811 10.647 1.00 0.00 N ATOM 1166 CA LYS A 77 0.813 -0.991 10.736 1.00 0.00 C ATOM 1167 C LYS A 77 1.051 0.390 10.135 1.00 0.00 C ATOM 1168 O LYS A 77 1.906 1.143 10.601 1.00 0.00 O ATOM 1169 CB LYS A 77 0.371 -0.855 12.195 1.00 0.00 C ATOM 1170 CG LYS A 77 -1.128 -0.675 12.361 1.00 0.00 C ATOM 1171 CD LYS A 77 -1.584 -1.063 13.758 1.00 0.00 C ATOM 1172 CE LYS A 77 -1.315 0.047 14.762 1.00 0.00 C ATOM 1173 NZ LYS A 77 -2.176 -0.077 15.970 1.00 0.00 N ATOM 0 H LYS A 77 2.765 -1.530 11.280 1.00 0.00 H new ATOM 0 HA LYS A 77 0.024 -1.484 10.168 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.685 -1.742 12.745 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.883 -0.003 12.643 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.395 0.364 12.165 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.652 -1.283 11.624 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.650 -1.291 13.743 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.068 -1.971 14.071 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.267 0.022 15.059 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.489 1.014 14.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.513 0.865 16.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.991 -0.685 15.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.626 -0.497 16.746 1.00 0.00 H new ATOM 1187 N LEU A 78 0.287 0.718 9.098 1.00 0.00 N ATOM 1188 CA LEU A 78 0.413 2.011 8.434 1.00 0.00 C ATOM 1189 C LEU A 78 -0.356 3.089 9.190 1.00 0.00 C ATOM 1190 O LEU A 78 -1.548 2.941 9.458 1.00 0.00 O ATOM 1191 CB LEU A 78 -0.098 1.918 6.995 1.00 0.00 C ATOM 1192 CG LEU A 78 0.543 0.838 6.123 1.00 0.00 C ATOM 1193 CD1 LEU A 78 -0.103 0.810 4.747 1.00 0.00 C ATOM 1194 CD2 LEU A 78 2.043 1.068 6.005 1.00 0.00 C ATOM 0 H LEU A 78 -0.426 0.107 8.699 1.00 0.00 H new ATOM 0 HA LEU A 78 1.468 2.285 8.422 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.173 1.743 7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.055 2.884 6.513 1.00 0.00 H new ATOM 0 HG LEU A 78 0.380 -0.129 6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.366 0.035 4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.167 0.596 4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.028 1.778 4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.482 0.290 5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.227 2.043 5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.495 1.036 6.996 1.00 0.00 H new ATOM 1206 N GLN A 79 0.334 4.174 9.528 1.00 0.00 N ATOM 1207 CA GLN A 79 -0.285 5.277 10.252 1.00 0.00 C ATOM 1208 C GLN A 79 -0.162 6.580 9.469 1.00 0.00 C ATOM 1209 O GLN A 79 0.916 6.924 8.982 1.00 0.00 O ATOM 1210 CB GLN A 79 0.357 5.435 11.631 1.00 0.00 C ATOM 1211 CG GLN A 79 -0.542 6.121 12.647 1.00 0.00 C ATOM 1212 CD GLN A 79 0.205 6.545 13.896 1.00 0.00 C ATOM 1213 OE1 GLN A 79 0.826 7.608 13.931 1.00 0.00 O ATOM 1214 NE2 GLN A 79 0.150 5.714 14.930 1.00 0.00 N ATOM 0 H GLN A 79 1.321 4.312 9.312 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.343 5.047 10.376 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.633 4.450 12.009 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.279 6.007 11.530 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.000 6.997 12.188 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.352 5.446 12.924 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.377 4.843 14.857 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.634 5.946 15.797 1.00 0.00 H new ATOM 1223 N TYR A 80 -1.271 7.300 9.350 1.00 0.00 N ATOM 1224 CA TYR A 80 -1.288 8.564 8.622 1.00 0.00 C ATOM 1225 C TYR A 80 -2.024 9.640 9.416 1.00 0.00 C ATOM 1226 O TYR A 80 -3.133 9.418 9.901 1.00 0.00 O ATOM 1227 CB TYR A 80 -1.949 8.381 7.255 1.00 0.00 C ATOM 1228 CG TYR A 80 -2.219 9.682 6.534 1.00 0.00 C ATOM 1229 CD1 TYR A 80 -1.199 10.600 6.311 1.00 0.00 C ATOM 1230 CD2 TYR A 80 -3.493 9.995 6.078 1.00 0.00 C ATOM 1231 CE1 TYR A 80 -1.441 11.790 5.653 1.00 0.00 C ATOM 1232 CE2 TYR A 80 -3.744 11.183 5.418 1.00 0.00 C ATOM 1233 CZ TYR A 80 -2.715 12.077 5.208 1.00 0.00 C ATOM 1234 OH TYR A 80 -2.961 13.262 4.553 1.00 0.00 O ATOM 0 H TYR A 80 -2.171 7.031 9.748 1.00 0.00 H new ATOM 0 HA TYR A 80 -0.256 8.885 8.479 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.309 7.756 6.632 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -2.889 7.845 7.384 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.201 10.379 6.658 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.301 9.298 6.242 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.637 12.492 5.488 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -4.740 11.410 5.069 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.908 13.308 4.305 1.00 0.00 H new ATOM 1244 N GLU A 81 -1.397 10.805 9.542 1.00 0.00 N ATOM 1245 CA GLU A 81 -1.991 11.916 10.277 1.00 0.00 C ATOM 1246 C GLU A 81 -2.559 11.443 11.612 1.00 0.00 C ATOM 1247 O GLU A 81 -3.658 11.833 12.005 1.00 0.00 O ATOM 1248 CB GLU A 81 -3.095 12.573 9.446 1.00 0.00 C ATOM 1249 CG GLU A 81 -2.583 13.627 8.478 1.00 0.00 C ATOM 1250 CD GLU A 81 -2.319 14.959 9.152 1.00 0.00 C ATOM 1251 OE1 GLU A 81 -3.155 15.383 9.978 1.00 0.00 O ATOM 1252 OE2 GLU A 81 -1.276 15.578 8.854 1.00 0.00 O ATOM 0 H GLU A 81 -0.479 11.004 9.145 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.208 12.648 10.473 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.623 11.802 8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.820 13.031 10.118 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.664 13.271 8.012 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.312 13.766 7.680 1.00 0.00 H new ATOM 1259 N GLY A 82 -1.800 10.600 12.306 1.00 0.00 N ATOM 1260 CA GLY A 82 -2.243 10.087 13.589 1.00 0.00 C ATOM 1261 C GLY A 82 -3.466 9.200 13.468 1.00 0.00 C ATOM 1262 O GLY A 82 -4.326 9.194 14.349 1.00 0.00 O ATOM 0 H GLY A 82 -0.886 10.263 12.002 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.433 9.522 14.050 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.468 10.922 14.253 1.00 0.00 H new ATOM 1266 N ILE A 83 -3.544 8.450 12.374 1.00 0.00 N ATOM 1267 CA ILE A 83 -4.672 7.555 12.141 1.00 0.00 C ATOM 1268 C ILE A 83 -4.197 6.132 11.868 1.00 0.00 C ATOM 1269 O ILE A 83 -3.094 5.920 11.362 1.00 0.00 O ATOM 1270 CB ILE A 83 -5.534 8.033 10.958 1.00 0.00 C ATOM 1271 CG1 ILE A 83 -6.109 9.421 11.246 1.00 0.00 C ATOM 1272 CG2 ILE A 83 -6.651 7.038 10.681 1.00 0.00 C ATOM 1273 CD1 ILE A 83 -6.846 10.025 10.071 1.00 0.00 C ATOM 0 H ILE A 83 -2.841 8.444 11.635 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.277 7.566 13.048 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.904 8.098 10.071 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.789 9.355 12.096 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.298 10.088 11.538 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.252 7.390 9.842 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.221 6.067 10.437 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.282 6.944 11.565 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.227 11.008 10.347 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.165 10.123 9.226 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.678 9.379 9.793 1.00 0.00 H new ATOM 1285 N PHE A 84 -5.037 5.159 12.204 1.00 0.00 N ATOM 1286 CA PHE A 84 -4.704 3.755 11.994 1.00 0.00 C ATOM 1287 C PHE A 84 -5.308 3.242 10.690 1.00 0.00 C ATOM 1288 O PHE A 84 -5.991 2.218 10.670 1.00 0.00 O ATOM 1289 CB PHE A 84 -5.204 2.909 13.168 1.00 0.00 C ATOM 1290 CG PHE A 84 -4.364 3.046 14.405 1.00 0.00 C ATOM 1291 CD1 PHE A 84 -2.997 2.825 14.359 1.00 0.00 C ATOM 1292 CD2 PHE A 84 -4.941 3.396 15.615 1.00 0.00 C ATOM 1293 CE1 PHE A 84 -2.222 2.949 15.496 1.00 0.00 C ATOM 1294 CE2 PHE A 84 -4.171 3.523 16.756 1.00 0.00 C ATOM 1295 CZ PHE A 84 -2.810 3.300 16.696 1.00 0.00 C ATOM 0 H PHE A 84 -5.953 5.317 12.623 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.619 3.670 11.930 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -6.230 3.195 13.401 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.226 1.861 12.867 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.532 2.553 13.423 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.005 3.572 15.667 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.158 2.772 15.447 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.633 3.796 17.693 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.206 3.400 17.586 1.00 0.00 H new ATOM 1305 N ILE A 85 -5.051 3.962 9.603 1.00 0.00 N ATOM 1306 CA ILE A 85 -5.567 3.580 8.295 1.00 0.00 C ATOM 1307 C ILE A 85 -5.452 2.075 8.076 1.00 0.00 C ATOM 1308 O ILE A 85 -4.420 1.471 8.369 1.00 0.00 O ATOM 1309 CB ILE A 85 -4.825 4.311 7.161 1.00 0.00 C ATOM 1310 CG1 ILE A 85 -3.312 4.146 7.322 1.00 0.00 C ATOM 1311 CG2 ILE A 85 -5.204 5.784 7.143 1.00 0.00 C ATOM 1312 CD1 ILE A 85 -2.532 4.462 6.066 1.00 0.00 C ATOM 0 H ILE A 85 -4.489 4.813 9.603 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.618 3.868 8.275 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.120 3.869 6.210 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.968 4.796 8.127 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.097 3.121 7.625 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.671 6.287 6.336 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.278 5.881 6.985 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.935 6.241 8.095 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.467 4.323 6.254 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.848 3.795 5.264 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.717 5.495 5.773 1.00 0.00 H new ATOM 1324 N LYS A 86 -6.517 1.474 7.557 1.00 0.00 N ATOM 1325 CA LYS A 86 -6.536 0.040 7.294 1.00 0.00 C ATOM 1326 C LYS A 86 -6.607 -0.238 5.796 1.00 0.00 C ATOM 1327 O LYS A 86 -7.149 0.561 5.032 1.00 0.00 O ATOM 1328 CB LYS A 86 -7.725 -0.613 8.002 1.00 0.00 C ATOM 1329 CG LYS A 86 -7.409 -1.090 9.409 1.00 0.00 C ATOM 1330 CD LYS A 86 -8.675 -1.379 10.198 1.00 0.00 C ATOM 1331 CE LYS A 86 -8.357 -1.957 11.569 1.00 0.00 C ATOM 1332 NZ LYS A 86 -8.183 -0.891 12.593 1.00 0.00 N ATOM 0 H LYS A 86 -7.380 1.959 7.310 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.611 -0.387 7.681 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.548 0.101 8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.069 -1.460 7.409 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.797 -1.990 9.360 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.821 -0.332 9.927 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.251 -0.461 10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.299 -2.079 9.643 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.160 -2.628 11.876 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.448 -2.555 11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.968 -1.325 13.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.400 -0.266 12.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.059 -0.336 12.669 1.00 0.00 H new ATOM 1346 N ASP A 87 -6.058 -1.375 5.384 1.00 0.00 N ATOM 1347 CA ASP A 87 -6.061 -1.760 3.977 1.00 0.00 C ATOM 1348 C ASP A 87 -7.462 -1.641 3.385 1.00 0.00 C ATOM 1349 O ASP A 87 -7.625 -1.281 2.219 1.00 0.00 O ATOM 1350 CB ASP A 87 -5.546 -3.191 3.816 1.00 0.00 C ATOM 1351 CG ASP A 87 -5.849 -4.054 5.025 1.00 0.00 C ATOM 1352 OD1 ASP A 87 -7.025 -4.436 5.202 1.00 0.00 O ATOM 1353 OD2 ASP A 87 -4.910 -4.349 5.793 1.00 0.00 O ATOM 0 H ASP A 87 -5.605 -2.047 6.004 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.399 -1.082 3.439 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.997 -3.639 2.931 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.469 -3.170 3.649 1.00 0.00 H new ATOM 1358 N SER A 88 -8.470 -1.947 4.196 1.00 0.00 N ATOM 1359 CA SER A 88 -9.857 -1.880 3.750 1.00 0.00 C ATOM 1360 C SER A 88 -10.267 -0.437 3.469 1.00 0.00 C ATOM 1361 O SER A 88 -11.140 -0.180 2.641 1.00 0.00 O ATOM 1362 CB SER A 88 -10.783 -2.489 4.804 1.00 0.00 C ATOM 1363 OG SER A 88 -10.511 -3.868 4.987 1.00 0.00 O ATOM 0 H SER A 88 -8.352 -2.244 5.165 1.00 0.00 H new ATOM 0 HA SER A 88 -9.945 -2.451 2.826 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.659 -1.962 5.750 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.821 -2.357 4.500 1.00 0.00 H new ATOM 0 HG SER A 88 -11.115 -4.233 5.667 1.00 0.00 H new ATOM 1369 N ASN A 89 -9.630 0.499 4.164 1.00 0.00 N ATOM 1370 CA ASN A 89 -9.928 1.916 3.990 1.00 0.00 C ATOM 1371 C ASN A 89 -9.209 2.477 2.767 1.00 0.00 C ATOM 1372 O ASN A 89 -8.013 2.253 2.580 1.00 0.00 O ATOM 1373 CB ASN A 89 -9.523 2.701 5.239 1.00 0.00 C ATOM 1374 CG ASN A 89 -10.573 2.634 6.330 1.00 0.00 C ATOM 1375 OD1 ASN A 89 -11.346 3.573 6.522 1.00 0.00 O ATOM 1376 ND2 ASN A 89 -10.606 1.520 7.052 1.00 0.00 N ATOM 0 H ASN A 89 -8.904 0.302 4.853 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.002 2.020 3.837 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.580 2.309 5.621 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.349 3.743 4.969 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.291 1.417 7.800 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -9.946 0.767 6.858 1.00 0.00 H new ATOM 1383 N SER A 90 -9.946 3.209 1.937 1.00 0.00 N ATOM 1384 CA SER A 90 -9.380 3.800 0.731 1.00 0.00 C ATOM 1385 C SER A 90 -8.674 5.115 1.049 1.00 0.00 C ATOM 1386 O SER A 90 -8.959 5.756 2.062 1.00 0.00 O ATOM 1387 CB SER A 90 -10.476 4.036 -0.310 1.00 0.00 C ATOM 1388 OG SER A 90 -9.921 4.403 -1.561 1.00 0.00 O ATOM 0 H SER A 90 -10.937 3.407 2.078 1.00 0.00 H new ATOM 0 HA SER A 90 -8.647 3.103 0.325 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.073 3.132 -0.425 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.149 4.820 0.037 1.00 0.00 H new ATOM 0 HG SER A 90 -10.591 4.889 -2.086 1.00 0.00 H new ATOM 1394 N LEU A 91 -7.753 5.510 0.178 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.005 6.749 0.365 1.00 0.00 C ATOM 1396 C LEU A 91 -7.896 7.964 0.130 1.00 0.00 C ATOM 1397 O LEU A 91 -7.854 8.933 0.886 1.00 0.00 O ATOM 1398 CB LEU A 91 -5.805 6.791 -0.582 1.00 0.00 C ATOM 1399 CG LEU A 91 -4.796 5.651 -0.439 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -5.155 4.500 -1.366 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -3.386 6.148 -0.724 1.00 0.00 C ATOM 0 H LEU A 91 -7.506 4.991 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.648 6.777 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.176 6.794 -1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.281 7.734 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.831 5.287 0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.426 3.698 -1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.148 4.127 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.149 4.849 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.681 5.323 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.336 6.539 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.129 6.938 -0.018 1.00 0.00 H new ATOM 1413 N ALA A 92 -8.705 7.903 -0.924 1.00 0.00 N ATOM 1414 CA ALA A 92 -9.610 8.996 -1.256 1.00 0.00 C ATOM 1415 C ALA A 92 -10.601 9.251 -0.127 1.00 0.00 C ATOM 1416 O ALA A 92 -11.005 10.389 0.113 1.00 0.00 O ATOM 1417 CB ALA A 92 -10.348 8.694 -2.552 1.00 0.00 C ATOM 0 H ALA A 92 -8.751 7.108 -1.562 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.015 9.899 -1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.021 9.519 -2.788 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -9.628 8.570 -3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.925 7.777 -2.437 1.00 0.00 H new ATOM 1423 N TYR A 93 -10.991 8.185 0.563 1.00 0.00 N ATOM 1424 CA TYR A 93 -11.939 8.293 1.666 1.00 0.00 C ATOM 1425 C TYR A 93 -11.354 9.118 2.808 1.00 0.00 C ATOM 1426 O TYR A 93 -12.041 9.947 3.406 1.00 0.00 O ATOM 1427 CB TYR A 93 -12.325 6.902 2.173 1.00 0.00 C ATOM 1428 CG TYR A 93 -13.212 6.929 3.397 1.00 0.00 C ATOM 1429 CD1 TYR A 93 -12.671 7.074 4.668 1.00 0.00 C ATOM 1430 CD2 TYR A 93 -14.592 6.807 3.283 1.00 0.00 C ATOM 1431 CE1 TYR A 93 -13.477 7.098 5.790 1.00 0.00 C ATOM 1432 CE2 TYR A 93 -15.406 6.831 4.398 1.00 0.00 C ATOM 1433 CZ TYR A 93 -14.844 6.977 5.650 1.00 0.00 C ATOM 1434 OH TYR A 93 -15.651 7.000 6.763 1.00 0.00 O ATOM 0 H TYR A 93 -10.665 7.236 0.378 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.831 8.798 1.296 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.836 6.363 1.376 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.418 6.344 2.404 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.601 7.170 4.781 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -15.035 6.691 2.305 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.039 7.211 6.771 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.476 6.736 4.291 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.587 6.904 6.490 1.00 0.00 H new ATOM 1444 N TYR A 94 -10.080 8.886 3.105 1.00 0.00 N ATOM 1445 CA TYR A 94 -9.402 9.606 4.176 1.00 0.00 C ATOM 1446 C TYR A 94 -9.122 11.049 3.770 1.00 0.00 C ATOM 1447 O TYR A 94 -8.667 11.856 4.580 1.00 0.00 O ATOM 1448 CB TYR A 94 -8.092 8.904 4.541 1.00 0.00 C ATOM 1449 CG TYR A 94 -8.279 7.706 5.444 1.00 0.00 C ATOM 1450 CD1 TYR A 94 -8.963 7.818 6.648 1.00 0.00 C ATOM 1451 CD2 TYR A 94 -7.771 6.461 5.093 1.00 0.00 C ATOM 1452 CE1 TYR A 94 -9.135 6.726 7.476 1.00 0.00 C ATOM 1453 CE2 TYR A 94 -7.939 5.363 5.915 1.00 0.00 C ATOM 1454 CZ TYR A 94 -8.622 5.501 7.106 1.00 0.00 C ATOM 1455 OH TYR A 94 -8.792 4.411 7.928 1.00 0.00 O ATOM 0 H TYR A 94 -9.496 8.205 2.619 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.058 9.613 5.047 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.593 8.584 3.626 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.431 9.619 5.031 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -9.367 8.775 6.942 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.236 6.350 4.162 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.669 6.831 8.409 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.538 4.402 5.627 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.628 4.507 8.431 1.00 0.00 H new ATOM 1465 N ASN A 95 -9.398 11.367 2.510 1.00 0.00 N ATOM 1466 CA ASN A 95 -9.177 12.713 1.995 1.00 0.00 C ATOM 1467 C ASN A 95 -7.686 13.028 1.918 1.00 0.00 C ATOM 1468 O ASN A 95 -7.252 14.119 2.289 1.00 0.00 O ATOM 1469 CB ASN A 95 -9.883 13.743 2.880 1.00 0.00 C ATOM 1470 CG ASN A 95 -11.282 13.308 3.270 1.00 0.00 C ATOM 1471 OD1 ASN A 95 -11.675 13.411 4.432 1.00 0.00 O ATOM 1472 ND2 ASN A 95 -12.042 12.817 2.297 1.00 0.00 N ATOM 0 H ASN A 95 -9.775 10.711 1.826 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.593 12.763 0.989 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.293 13.909 3.781 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.935 14.696 2.353 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -12.992 12.507 2.499 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -11.675 12.750 1.348 1.00 0.00 H new ATOM 1479 N MET A 96 -6.908 12.066 1.435 1.00 0.00 N ATOM 1480 CA MET A 96 -5.466 12.241 1.308 1.00 0.00 C ATOM 1481 C MET A 96 -5.132 13.198 0.168 1.00 0.00 C ATOM 1482 O MET A 96 -5.927 13.379 -0.754 1.00 0.00 O ATOM 1483 CB MET A 96 -4.785 10.892 1.073 1.00 0.00 C ATOM 1484 CG MET A 96 -4.889 9.944 2.257 1.00 0.00 C ATOM 1485 SD MET A 96 -3.517 8.776 2.335 1.00 0.00 S ATOM 1486 CE MET A 96 -4.235 7.476 3.335 1.00 0.00 C ATOM 0 H MET A 96 -7.252 11.157 1.125 1.00 0.00 H new ATOM 0 HA MET A 96 -5.095 12.670 2.239 1.00 0.00 H new ATOM 0 HB2 MET A 96 -5.229 10.418 0.198 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.733 11.060 0.844 1.00 0.00 H new ATOM 0 HG2 MET A 96 -4.921 10.523 3.180 1.00 0.00 H new ATOM 0 HG3 MET A 96 -5.827 9.393 2.195 1.00 0.00 H new ATOM 0 HE1 MET A 96 -3.455 7.004 3.933 1.00 0.00 H new ATOM 0 HE2 MET A 96 -4.992 7.900 3.995 1.00 0.00 H new ATOM 0 HE3 MET A 96 -4.696 6.731 2.687 1.00 0.00 H new ATOM 1496 N ALA A 97 -3.953 13.807 0.238 1.00 0.00 N ATOM 1497 CA ALA A 97 -3.515 14.744 -0.790 1.00 0.00 C ATOM 1498 C ALA A 97 -2.057 14.505 -1.164 1.00 0.00 C ATOM 1499 O ALA A 97 -1.310 13.872 -0.418 1.00 0.00 O ATOM 1500 CB ALA A 97 -3.713 16.176 -0.317 1.00 0.00 C ATOM 0 H ALA A 97 -3.284 13.669 0.995 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.123 14.580 -1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.382 16.865 -1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.769 16.347 -0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -3.130 16.344 0.589 1.00 0.00 H new ATOM 1506 N SER A 98 -1.657 15.014 -2.325 1.00 0.00 N ATOM 1507 CA SER A 98 -0.288 14.852 -2.801 1.00 0.00 C ATOM 1508 C SER A 98 0.711 15.327 -1.751 1.00 0.00 C ATOM 1509 O SER A 98 0.368 16.094 -0.853 1.00 0.00 O ATOM 1510 CB SER A 98 -0.084 15.626 -4.104 1.00 0.00 C ATOM 1511 OG SER A 98 -0.158 17.024 -3.884 1.00 0.00 O ATOM 0 H SER A 98 -2.262 15.542 -2.954 1.00 0.00 H new ATOM 0 HA SER A 98 -0.116 13.792 -2.987 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.886 15.373 -4.533 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.841 15.328 -4.830 1.00 0.00 H new ATOM 0 HG SER A 98 -0.023 17.496 -4.732 1.00 0.00 H new ATOM 1517 N GLY A 99 1.952 14.865 -1.872 1.00 0.00 N ATOM 1518 CA GLY A 99 2.984 15.252 -0.928 1.00 0.00 C ATOM 1519 C GLY A 99 2.677 14.797 0.485 1.00 0.00 C ATOM 1520 O GLY A 99 2.909 15.531 1.445 1.00 0.00 O ATOM 0 H GLY A 99 2.261 14.229 -2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.938 14.829 -1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.096 16.336 -0.941 1.00 0.00 H new ATOM 1524 N ALA A 100 2.152 13.583 0.613 1.00 0.00 N ATOM 1525 CA ALA A 100 1.813 13.031 1.919 1.00 0.00 C ATOM 1526 C ALA A 100 2.957 12.189 2.473 1.00 0.00 C ATOM 1527 O ALA A 100 3.939 11.924 1.779 1.00 0.00 O ATOM 1528 CB ALA A 100 0.541 12.201 1.827 1.00 0.00 C ATOM 0 H ALA A 100 1.952 12.963 -0.172 1.00 0.00 H new ATOM 0 HA ALA A 100 1.643 13.862 2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.300 11.795 2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.280 12.830 1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.691 11.383 1.123 1.00 0.00 H new ATOM 1534 N VAL A 101 2.825 11.771 3.728 1.00 0.00 N ATOM 1535 CA VAL A 101 3.848 10.959 4.375 1.00 0.00 C ATOM 1536 C VAL A 101 3.221 9.880 5.250 1.00 0.00 C ATOM 1537 O VAL A 101 2.574 10.179 6.254 1.00 0.00 O ATOM 1538 CB VAL A 101 4.788 11.822 5.238 1.00 0.00 C ATOM 1539 CG1 VAL A 101 3.986 12.703 6.184 1.00 0.00 C ATOM 1540 CG2 VAL A 101 5.760 10.943 6.010 1.00 0.00 C ATOM 0 H VAL A 101 2.019 11.982 4.317 1.00 0.00 H new ATOM 0 HA VAL A 101 4.427 10.488 3.581 1.00 0.00 H new ATOM 0 HB VAL A 101 5.365 12.470 4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.667 13.305 6.785 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.335 13.359 5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.381 12.077 6.839 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.416 11.570 6.614 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.203 10.268 6.660 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.358 10.360 5.310 1.00 0.00 H new ATOM 1550 N ILE A 102 3.417 8.624 4.863 1.00 0.00 N ATOM 1551 CA ILE A 102 2.872 7.500 5.614 1.00 0.00 C ATOM 1552 C ILE A 102 3.879 6.979 6.634 1.00 0.00 C ATOM 1553 O ILE A 102 4.884 6.366 6.273 1.00 0.00 O ATOM 1554 CB ILE A 102 2.461 6.346 4.681 1.00 0.00 C ATOM 1555 CG1 ILE A 102 1.421 6.827 3.666 1.00 0.00 C ATOM 1556 CG2 ILE A 102 1.917 5.178 5.490 1.00 0.00 C ATOM 1557 CD1 ILE A 102 0.108 7.236 4.295 1.00 0.00 C ATOM 0 H ILE A 102 3.949 8.359 4.034 1.00 0.00 H new ATOM 0 HA ILE A 102 1.988 7.868 6.135 1.00 0.00 H new ATOM 0 HB ILE A 102 3.343 6.007 4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.829 7.673 3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.236 6.033 2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.631 4.371 4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.685 4.822 6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.045 5.503 6.057 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.581 7.566 3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.322 6.386 4.824 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.279 8.052 4.997 1.00 0.00 H new ATOM 1569 N HIS A 103 3.602 7.226 7.910 1.00 0.00 N ATOM 1570 CA HIS A 103 4.483 6.781 8.984 1.00 0.00 C ATOM 1571 C HIS A 103 4.246 5.308 9.305 1.00 0.00 C ATOM 1572 O HIS A 103 3.115 4.891 9.559 1.00 0.00 O ATOM 1573 CB HIS A 103 4.264 7.629 10.237 1.00 0.00 C ATOM 1574 CG HIS A 103 4.689 9.056 10.077 1.00 0.00 C ATOM 1575 ND1 HIS A 103 5.984 9.482 10.283 1.00 0.00 N ATOM 1576 CD2 HIS A 103 3.984 10.156 9.726 1.00 0.00 C ATOM 1577 CE1 HIS A 103 6.056 10.784 10.068 1.00 0.00 C ATOM 1578 NE2 HIS A 103 4.856 11.217 9.728 1.00 0.00 N ATOM 0 H HIS A 103 2.774 7.732 8.226 1.00 0.00 H new ATOM 0 HA HIS A 103 5.513 6.901 8.649 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.208 7.601 10.504 1.00 0.00 H new ATOM 0 HB3 HIS A 103 4.815 7.185 11.067 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.931 10.193 9.488 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.945 11.391 10.156 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.616 12.182 9.503 1.00 0.00 H new ATOM 1587 N LEU A 104 5.319 4.525 9.290 1.00 0.00 N ATOM 1588 CA LEU A 104 5.229 3.097 9.578 1.00 0.00 C ATOM 1589 C LEU A 104 5.436 2.828 11.065 1.00 0.00 C ATOM 1590 O LEU A 104 6.269 3.463 11.711 1.00 0.00 O ATOM 1591 CB LEU A 104 6.264 2.325 8.759 1.00 0.00 C ATOM 1592 CG LEU A 104 6.170 0.800 8.825 1.00 0.00 C ATOM 1593 CD1 LEU A 104 4.817 0.326 8.316 1.00 0.00 C ATOM 1594 CD2 LEU A 104 7.296 0.161 8.025 1.00 0.00 C ATOM 0 H LEU A 104 6.262 4.854 9.082 1.00 0.00 H new ATOM 0 HA LEU A 104 4.231 2.758 9.302 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.174 2.630 7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.258 2.623 9.093 1.00 0.00 H new ATOM 0 HG LEU A 104 6.271 0.494 9.866 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.768 -0.762 8.370 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.026 0.756 8.931 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.686 0.644 7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.213 -0.924 8.083 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.226 0.475 6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.256 0.474 8.434 1.00 0.00 H new ATOM 1606 N ALA A 105 4.674 1.881 11.602 1.00 0.00 N ATOM 1607 CA ALA A 105 4.777 1.524 13.011 1.00 0.00 C ATOM 1608 C ALA A 105 4.612 0.021 13.211 1.00 0.00 C ATOM 1609 O ALA A 105 3.686 -0.589 12.673 1.00 0.00 O ATOM 1610 CB ALA A 105 3.740 2.284 13.825 1.00 0.00 C ATOM 0 H ALA A 105 3.978 1.347 11.082 1.00 0.00 H new ATOM 0 HA ALA A 105 5.772 1.803 13.359 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.828 2.008 14.876 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.906 3.356 13.716 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.741 2.034 13.467 1.00 0.00 H new ATOM 1616 N LEU A 106 5.514 -0.571 13.986 1.00 0.00 N ATOM 1617 CA LEU A 106 5.468 -2.003 14.256 1.00 0.00 C ATOM 1618 C LEU A 106 4.316 -2.344 15.196 1.00 0.00 C ATOM 1619 O LEU A 106 4.126 -1.693 16.224 1.00 0.00 O ATOM 1620 CB LEU A 106 6.792 -2.470 14.864 1.00 0.00 C ATOM 1621 CG LEU A 106 7.222 -3.896 14.520 1.00 0.00 C ATOM 1622 CD1 LEU A 106 8.636 -4.162 15.015 1.00 0.00 C ATOM 1623 CD2 LEU A 106 6.249 -4.905 15.113 1.00 0.00 C ATOM 0 H LEU A 106 6.286 -0.081 14.438 1.00 0.00 H new ATOM 0 HA LEU A 106 5.306 -2.521 13.310 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.578 -1.787 14.541 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.721 -2.385 15.948 1.00 0.00 H new ATOM 0 HG LEU A 106 7.212 -4.006 13.436 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.925 -5.182 14.761 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.325 -3.462 14.542 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.673 -4.033 16.097 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.571 -5.915 14.858 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.226 -4.795 16.197 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.252 -4.729 14.709 1.00 0.00 H new ATOM 1635 N LYS A 107 3.550 -3.369 14.838 1.00 0.00 N ATOM 1636 CA LYS A 107 2.418 -3.799 15.650 1.00 0.00 C ATOM 1637 C LYS A 107 2.884 -4.655 16.823 1.00 0.00 C ATOM 1638 O LYS A 107 3.704 -5.557 16.657 1.00 0.00 O ATOM 1639 CB LYS A 107 1.421 -4.586 14.796 1.00 0.00 C ATOM 1640 CG LYS A 107 0.012 -4.600 15.363 1.00 0.00 C ATOM 1641 CD LYS A 107 -0.952 -5.329 14.443 1.00 0.00 C ATOM 1642 CE LYS A 107 -2.299 -5.556 15.113 1.00 0.00 C ATOM 1643 NZ LYS A 107 -3.238 -4.427 14.867 1.00 0.00 N ATOM 0 H LYS A 107 3.693 -3.918 13.990 1.00 0.00 H new ATOM 0 HA LYS A 107 1.927 -2.909 16.044 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.396 -4.157 13.794 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.773 -5.613 14.695 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.017 -5.081 16.341 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.331 -3.576 15.513 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.092 -4.751 13.529 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.523 -6.288 14.151 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.738 -6.481 14.741 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.154 -5.681 16.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.144 -4.620 15.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.830 -3.548 15.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.396 -4.324 13.844 1.00 0.00 H new ATOM 1657 N GLU A 108 2.354 -4.366 18.008 1.00 0.00 N ATOM 1658 CA GLU A 108 2.717 -5.110 19.208 1.00 0.00 C ATOM 1659 C GLU A 108 2.000 -6.457 19.250 1.00 0.00 C ATOM 1660 O GLU A 108 0.956 -6.596 19.886 1.00 0.00 O ATOM 1661 CB GLU A 108 2.377 -4.299 20.460 1.00 0.00 C ATOM 1662 CG GLU A 108 3.059 -4.808 21.719 1.00 0.00 C ATOM 1663 CD GLU A 108 4.571 -4.734 21.634 1.00 0.00 C ATOM 1664 OE1 GLU A 108 5.186 -5.709 21.152 1.00 0.00 O ATOM 1665 OE2 GLU A 108 5.140 -3.702 22.047 1.00 0.00 O ATOM 0 H GLU A 108 1.673 -3.623 18.162 1.00 0.00 H new ATOM 0 HA GLU A 108 3.792 -5.290 19.182 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.662 -3.259 20.298 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.298 -4.314 20.610 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.718 -4.224 22.574 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.759 -5.840 21.898 1.00 0.00 H new ATOM 1672 N ARG A 109 2.570 -7.445 18.568 1.00 0.00 N ATOM 1673 CA ARG A 109 1.985 -8.780 18.526 1.00 0.00 C ATOM 1674 C ARG A 109 3.030 -9.842 18.858 1.00 0.00 C ATOM 1675 O ARG A 109 4.120 -9.855 18.287 1.00 0.00 O ATOM 1676 CB ARG A 109 1.386 -9.054 17.145 1.00 0.00 C ATOM 1677 CG ARG A 109 0.085 -8.310 16.888 1.00 0.00 C ATOM 1678 CD ARG A 109 -0.461 -8.607 15.500 1.00 0.00 C ATOM 1679 NE ARG A 109 -0.953 -9.977 15.387 1.00 0.00 N ATOM 1680 CZ ARG A 109 -2.127 -10.378 15.864 1.00 0.00 C ATOM 1681 NH1 ARG A 109 -2.923 -9.517 16.483 1.00 0.00 N ATOM 1682 NH2 ARG A 109 -2.505 -11.642 15.722 1.00 0.00 N ATOM 0 H ARG A 109 3.436 -7.346 18.037 1.00 0.00 H new ATOM 0 HA ARG A 109 1.194 -8.826 19.274 1.00 0.00 H new ATOM 0 HB2 ARG A 109 2.112 -8.774 16.381 1.00 0.00 H new ATOM 0 HB3 ARG A 109 1.210 -10.125 17.040 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.652 -8.594 17.639 1.00 0.00 H new ATOM 0 HG3 ARG A 109 0.251 -7.238 16.993 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -1.269 -7.912 15.272 1.00 0.00 H new ATOM 0 HD3 ARG A 109 0.321 -8.441 14.759 1.00 0.00 H new ATOM 0 HE ARG A 109 -0.364 -10.664 14.916 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -2.635 -8.545 16.594 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -3.824 -9.827 16.848 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -1.894 -12.307 15.247 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -3.406 -11.949 16.088 1.00 0.00 H new ATOM 1696 N SER A 110 2.689 -10.730 19.786 1.00 0.00 N ATOM 1697 CA SER A 110 3.598 -11.793 20.198 1.00 0.00 C ATOM 1698 C SER A 110 2.823 -13.027 20.649 1.00 0.00 C ATOM 1699 O SER A 110 1.596 -13.005 20.738 1.00 0.00 O ATOM 1700 CB SER A 110 4.506 -11.306 21.329 1.00 0.00 C ATOM 1701 OG SER A 110 5.576 -10.526 20.825 1.00 0.00 O ATOM 0 H SER A 110 1.790 -10.734 20.267 1.00 0.00 H new ATOM 0 HA SER A 110 4.212 -12.065 19.339 1.00 0.00 H new ATOM 0 HB2 SER A 110 3.925 -10.716 22.038 1.00 0.00 H new ATOM 0 HB3 SER A 110 4.902 -12.162 21.876 1.00 0.00 H new ATOM 0 HG SER A 110 5.354 -10.209 19.925 1.00 0.00 H new ATOM 1707 N GLY A 111 3.549 -14.104 20.931 1.00 0.00 N ATOM 1708 CA GLY A 111 2.914 -15.333 21.369 1.00 0.00 C ATOM 1709 C GLY A 111 1.739 -15.723 20.493 1.00 0.00 C ATOM 1710 O GLY A 111 0.580 -15.473 20.825 1.00 0.00 O ATOM 0 H GLY A 111 4.566 -14.147 20.864 1.00 0.00 H new ATOM 0 HA2 GLY A 111 3.648 -16.139 21.366 1.00 0.00 H new ATOM 0 HA3 GLY A 111 2.573 -15.216 22.398 1.00 0.00 H new ATOM 1714 N PRO A 112 2.035 -16.349 19.344 1.00 0.00 N ATOM 1715 CA PRO A 112 1.008 -16.785 18.394 1.00 0.00 C ATOM 1716 C PRO A 112 0.180 -17.949 18.929 1.00 0.00 C ATOM 1717 O PRO A 112 -0.821 -18.339 18.327 1.00 0.00 O ATOM 1718 CB PRO A 112 1.818 -17.223 17.171 1.00 0.00 C ATOM 1719 CG PRO A 112 3.154 -17.595 17.716 1.00 0.00 C ATOM 1720 CD PRO A 112 3.394 -16.679 18.884 1.00 0.00 C ATOM 0 HA PRO A 112 0.286 -15.996 18.184 1.00 0.00 H new ATOM 0 HB2 PRO A 112 1.348 -18.066 16.666 1.00 0.00 H new ATOM 0 HB3 PRO A 112 1.898 -16.418 16.440 1.00 0.00 H new ATOM 0 HG2 PRO A 112 3.171 -18.639 18.029 1.00 0.00 H new ATOM 0 HG3 PRO A 112 3.931 -17.476 16.961 1.00 0.00 H new ATOM 0 HD2 PRO A 112 3.975 -17.168 19.666 1.00 0.00 H new ATOM 0 HD3 PRO A 112 3.946 -15.787 18.588 1.00 0.00 H new ATOM 1728 N SER A 113 0.603 -18.498 20.062 1.00 0.00 N ATOM 1729 CA SER A 113 -0.098 -19.620 20.677 1.00 0.00 C ATOM 1730 C SER A 113 -0.225 -20.783 19.697 1.00 0.00 C ATOM 1731 O SER A 113 -1.274 -21.421 19.608 1.00 0.00 O ATOM 1732 CB SER A 113 -1.485 -19.183 21.151 1.00 0.00 C ATOM 1733 OG SER A 113 -1.424 -18.610 22.446 1.00 0.00 O ATOM 0 H SER A 113 1.428 -18.185 20.574 1.00 0.00 H new ATOM 0 HA SER A 113 0.483 -19.954 21.537 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.902 -18.460 20.449 1.00 0.00 H new ATOM 0 HB3 SER A 113 -2.157 -20.041 21.161 1.00 0.00 H new ATOM 0 HG SER A 113 -2.323 -18.337 22.726 1.00 0.00 H new ATOM 1739 N SER A 114 0.851 -21.052 18.965 1.00 0.00 N ATOM 1740 CA SER A 114 0.860 -22.135 17.989 1.00 0.00 C ATOM 1741 C SER A 114 0.466 -23.457 18.641 1.00 0.00 C ATOM 1742 O SER A 114 -0.395 -24.179 18.138 1.00 0.00 O ATOM 1743 CB SER A 114 2.243 -22.262 17.348 1.00 0.00 C ATOM 1744 OG SER A 114 2.213 -23.143 16.239 1.00 0.00 O ATOM 0 H SER A 114 1.728 -20.535 19.029 1.00 0.00 H new ATOM 0 HA SER A 114 0.130 -21.899 17.215 1.00 0.00 H new ATOM 0 HB2 SER A 114 2.590 -21.280 17.027 1.00 0.00 H new ATOM 0 HB3 SER A 114 2.957 -22.626 18.086 1.00 0.00 H new ATOM 0 HG SER A 114 3.109 -23.205 15.846 1.00 0.00 H new ATOM 1750 N GLY A 115 1.104 -23.769 19.765 1.00 0.00 N ATOM 1751 CA GLY A 115 0.808 -25.003 20.469 1.00 0.00 C ATOM 1752 C GLY A 115 0.623 -26.177 19.528 1.00 0.00 C ATOM 1753 O GLY A 115 -0.156 -27.088 19.807 1.00 0.00 O ATOM 0 H GLY A 115 1.821 -23.189 20.201 1.00 0.00 H new ATOM 0 HA2 GLY A 115 1.617 -25.223 21.165 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -0.097 -24.871 21.063 1.00 0.00 H new TER 1757 GLY A 115