USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 780 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 57 GLN : amide:sc= 1.34 K(o=1.7,f=-0.63) USER MOD Set 1.2: A 59 TYR OH : rot 32:sc= 0.36 USER MOD Set 2.1: A 53 THR OG1 : rot -55:sc= 1.37 USER MOD Set 2.2: A 55 GLN : amide:sc= 0.688 K(o=2.1,f=1.1) USER MOD Single : A 1 GLY N :NH3+ 131:sc= 0.0246 (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=0.000553 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 1.23 K(o=1.2,f=-1.4) USER MOD Single : A 14 GLN : amide:sc= 1.86 K(o=1.9,f=-7.3!) USER MOD Single : A 17 THR OG1 : rot 70:sc= 0.65 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -149:sc= 1.34 (180deg=1.03) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0.983 K(o=0.98,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.845 K(o=0.85,f=-0.64) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 47 MET CE :methyl 160:sc= -0.0922 (180deg=-0.503) USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= 2.48 (180deg=1.59) USER MOD Single : A 56 HIS : no HD1:sc= 1.27 K(o=1.3,f=-7.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 141:sc= -0.26 (180deg=-2.35) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 177:sc= 1.12 (180deg=1.11) USER MOD Single : A 90 ASN : amide:sc= 0.961 K(o=0.96,f=-6.2!) USER MOD Single : A 91 LYS NZ :NH3+ 163:sc= 1.58 (180deg=1.24) USER MOD Single : A 93 SER OG : rot 180:sc= 1.23 USER MOD Single : A 95 HIS : no HD1:sc= 1.33 K(o=1.3,f=-7.2!) USER MOD Single : A 96 ASN : amide:sc= 0.453 K(o=0.45,f=-0.17) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0.00635 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.454 -18.584 9.501 1.00 0.00 N ATOM 2 CA GLY A 1 -4.532 -17.124 9.727 1.00 0.00 C ATOM 3 C GLY A 1 -3.287 -16.412 9.220 1.00 0.00 C ATOM 4 O GLY A 1 -2.193 -16.981 9.236 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.697 -19.085 10.380 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.122 -18.856 8.752 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.488 -18.839 9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.412 -16.724 9.223 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.657 -16.926 10.792 1.00 0.00 H new ATOM 10 N SER A 2 -3.440 -15.167 8.763 1.00 0.00 N ATOM 11 CA SER A 2 -2.347 -14.314 8.261 1.00 0.00 C ATOM 12 C SER A 2 -2.639 -12.814 8.434 1.00 0.00 C ATOM 13 O SER A 2 -3.793 -12.397 8.572 1.00 0.00 O ATOM 14 CB SER A 2 -2.065 -14.625 6.781 1.00 0.00 C ATOM 15 OG SER A 2 -3.222 -14.449 5.975 1.00 0.00 O ATOM 0 H SER A 2 -4.350 -14.707 8.729 1.00 0.00 H new ATOM 0 HA SER A 2 -1.466 -14.543 8.861 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.268 -13.976 6.419 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.709 -15.651 6.687 1.00 0.00 H new ATOM 0 HG SER A 2 -3.005 -14.654 5.042 1.00 0.00 H new ATOM 21 N SER A 3 -1.577 -11.999 8.410 1.00 0.00 N ATOM 22 CA SER A 3 -1.614 -10.527 8.331 1.00 0.00 C ATOM 23 C SER A 3 -2.528 -9.815 9.348 1.00 0.00 C ATOM 24 O SER A 3 -3.310 -8.929 9.000 1.00 0.00 O ATOM 25 CB SER A 3 -1.877 -10.075 6.885 1.00 0.00 C ATOM 26 OG SER A 3 -0.925 -10.656 6.003 1.00 0.00 O ATOM 0 H SER A 3 -0.624 -12.361 8.447 1.00 0.00 H new ATOM 0 HA SER A 3 -0.620 -10.201 8.637 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.884 -10.364 6.585 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.825 -8.988 6.822 1.00 0.00 H new ATOM 0 HG SER A 3 -1.106 -10.361 5.086 1.00 0.00 H new ATOM 32 N GLY A 4 -2.426 -10.177 10.628 1.00 0.00 N ATOM 33 CA GLY A 4 -3.045 -9.432 11.727 1.00 0.00 C ATOM 34 C GLY A 4 -2.313 -8.107 11.973 1.00 0.00 C ATOM 35 O GLY A 4 -1.084 -8.076 12.079 1.00 0.00 O ATOM 0 H GLY A 4 -1.908 -11.001 10.934 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.092 -9.236 11.494 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.028 -10.035 12.635 1.00 0.00 H new ATOM 39 N SER A 5 -3.061 -7.005 12.061 1.00 0.00 N ATOM 40 CA SER A 5 -2.534 -5.643 12.271 1.00 0.00 C ATOM 41 C SER A 5 -2.371 -5.253 13.751 1.00 0.00 C ATOM 42 O SER A 5 -1.824 -4.188 14.055 1.00 0.00 O ATOM 43 CB SER A 5 -3.430 -4.635 11.539 1.00 0.00 C ATOM 44 OG SER A 5 -4.772 -4.742 11.994 1.00 0.00 O ATOM 0 H SER A 5 -4.078 -7.030 11.987 1.00 0.00 H new ATOM 0 HA SER A 5 -1.525 -5.627 11.858 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.062 -3.623 11.707 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.388 -4.815 10.465 1.00 0.00 H new ATOM 0 HG SER A 5 -5.331 -4.092 11.519 1.00 0.00 H new ATOM 50 N SER A 6 -2.826 -6.103 14.680 1.00 0.00 N ATOM 51 CA SER A 6 -2.775 -5.883 16.133 1.00 0.00 C ATOM 52 C SER A 6 -1.342 -5.716 16.659 1.00 0.00 C ATOM 53 O SER A 6 -0.426 -6.428 16.236 1.00 0.00 O ATOM 54 CB SER A 6 -3.449 -7.047 16.871 1.00 0.00 C ATOM 55 OG SER A 6 -4.780 -7.231 16.406 1.00 0.00 O ATOM 0 H SER A 6 -3.255 -6.995 14.433 1.00 0.00 H new ATOM 0 HA SER A 6 -3.309 -4.952 16.325 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.875 -7.961 16.720 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.457 -6.849 17.943 1.00 0.00 H new ATOM 0 HG SER A 6 -5.194 -7.978 16.886 1.00 0.00 H new ATOM 61 N GLY A 7 -1.148 -4.793 17.604 1.00 0.00 N ATOM 62 CA GLY A 7 0.173 -4.421 18.128 1.00 0.00 C ATOM 63 C GLY A 7 1.061 -3.689 17.101 1.00 0.00 C ATOM 64 O GLY A 7 2.140 -4.197 16.780 1.00 0.00 O ATOM 0 H GLY A 7 -1.914 -4.274 18.034 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.041 -3.783 19.002 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.688 -5.321 18.465 1.00 0.00 H new ATOM 68 N PRO A 8 0.633 -2.526 16.563 1.00 0.00 N ATOM 69 CA PRO A 8 1.414 -1.740 15.602 1.00 0.00 C ATOM 70 C PRO A 8 2.732 -1.215 16.199 1.00 0.00 C ATOM 71 O PRO A 8 2.868 -1.039 17.415 1.00 0.00 O ATOM 72 CB PRO A 8 0.493 -0.598 15.160 1.00 0.00 C ATOM 73 CG PRO A 8 -0.416 -0.395 16.370 1.00 0.00 C ATOM 74 CD PRO A 8 -0.597 -1.818 16.895 1.00 0.00 C ATOM 0 HA PRO A 8 1.724 -2.356 14.758 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.056 0.305 14.923 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.076 -0.862 14.269 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.041 0.257 17.115 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.367 0.058 16.091 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.769 -1.818 17.971 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.460 -2.298 16.434 1.00 0.00 H new ATOM 82 N ILE A 9 3.710 -0.950 15.331 1.00 0.00 N ATOM 83 CA ILE A 9 5.075 -0.533 15.688 1.00 0.00 C ATOM 84 C ILE A 9 5.207 0.998 15.639 1.00 0.00 C ATOM 85 O ILE A 9 4.853 1.635 14.649 1.00 0.00 O ATOM 86 CB ILE A 9 6.097 -1.274 14.788 1.00 0.00 C ATOM 87 CG1 ILE A 9 6.162 -2.760 15.208 1.00 0.00 C ATOM 88 CG2 ILE A 9 7.503 -0.645 14.842 1.00 0.00 C ATOM 89 CD1 ILE A 9 6.949 -3.657 14.244 1.00 0.00 C ATOM 0 H ILE A 9 3.572 -1.021 14.323 1.00 0.00 H new ATOM 0 HA ILE A 9 5.295 -0.815 16.718 1.00 0.00 H new ATOM 0 HB ILE A 9 5.754 -1.186 13.757 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.614 -2.826 16.198 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.146 -3.145 15.296 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.177 -1.204 14.193 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.452 0.390 14.506 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.876 -0.676 15.866 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.944 -4.682 14.615 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.486 -3.626 13.258 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.977 -3.302 14.174 1.00 0.00 H new ATOM 101 N SER A 10 5.769 1.590 16.696 1.00 0.00 N ATOM 102 CA SER A 10 6.080 3.029 16.791 1.00 0.00 C ATOM 103 C SER A 10 7.545 3.375 16.467 1.00 0.00 C ATOM 104 O SER A 10 7.888 4.548 16.320 1.00 0.00 O ATOM 105 CB SER A 10 5.711 3.530 18.193 1.00 0.00 C ATOM 106 OG SER A 10 6.402 2.785 19.188 1.00 0.00 O ATOM 0 H SER A 10 6.030 1.072 17.535 1.00 0.00 H new ATOM 0 HA SER A 10 5.485 3.534 16.030 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.960 4.587 18.284 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.635 3.441 18.346 1.00 0.00 H new ATOM 0 HG SER A 10 6.156 3.119 20.076 1.00 0.00 H new ATOM 112 N GLU A 11 8.419 2.368 16.349 1.00 0.00 N ATOM 113 CA GLU A 11 9.881 2.539 16.258 1.00 0.00 C ATOM 114 C GLU A 11 10.431 2.590 14.815 1.00 0.00 C ATOM 115 O GLU A 11 11.536 3.093 14.595 1.00 0.00 O ATOM 116 CB GLU A 11 10.526 1.410 17.085 1.00 0.00 C ATOM 117 CG GLU A 11 12.028 1.597 17.340 1.00 0.00 C ATOM 118 CD GLU A 11 12.554 0.547 18.337 1.00 0.00 C ATOM 119 OE1 GLU A 11 12.910 -0.579 17.909 1.00 0.00 O ATOM 120 OE2 GLU A 11 12.626 0.842 19.556 1.00 0.00 O ATOM 0 H GLU A 11 8.128 1.391 16.313 1.00 0.00 H new ATOM 0 HA GLU A 11 10.141 3.518 16.661 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.012 1.338 18.044 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.372 0.463 16.569 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.573 1.516 16.400 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.212 2.598 17.730 1.00 0.00 H new ATOM 127 N ARG A 12 9.680 2.080 13.824 1.00 0.00 N ATOM 128 CA ARG A 12 10.148 1.859 12.440 1.00 0.00 C ATOM 129 C ARG A 12 9.090 2.217 11.390 1.00 0.00 C ATOM 130 O ARG A 12 7.906 1.924 11.557 1.00 0.00 O ATOM 131 CB ARG A 12 10.622 0.394 12.328 1.00 0.00 C ATOM 132 CG ARG A 12 11.337 0.063 11.006 1.00 0.00 C ATOM 133 CD ARG A 12 12.043 -1.302 11.034 1.00 0.00 C ATOM 134 NE ARG A 12 11.108 -2.434 11.225 1.00 0.00 N ATOM 135 CZ ARG A 12 10.904 -3.141 12.323 1.00 0.00 C ATOM 136 NH1 ARG A 12 11.477 -2.870 13.461 1.00 0.00 N ATOM 137 NH2 ARG A 12 10.097 -4.158 12.280 1.00 0.00 N ATOM 0 H ARG A 12 8.708 1.803 13.963 1.00 0.00 H new ATOM 0 HA ARG A 12 10.979 2.531 12.227 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.296 0.177 13.157 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.760 -0.265 12.437 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.611 0.074 10.193 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.069 0.841 10.790 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.588 -1.442 10.101 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.780 -1.307 11.837 1.00 0.00 H new ATOM 0 HE ARG A 12 10.554 -2.700 10.411 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.118 -2.080 13.534 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.285 -3.448 14.279 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.630 -4.402 11.407 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.930 -4.713 13.120 1.00 0.00 H new ATOM 151 N ASN A 13 9.537 2.780 10.264 1.00 0.00 N ATOM 152 CA ASN A 13 8.700 3.212 9.131 1.00 0.00 C ATOM 153 C ASN A 13 7.968 2.072 8.388 1.00 0.00 C ATOM 154 O ASN A 13 7.093 2.337 7.566 1.00 0.00 O ATOM 155 CB ASN A 13 9.553 4.049 8.159 1.00 0.00 C ATOM 156 CG ASN A 13 10.543 3.220 7.350 1.00 0.00 C ATOM 157 OD1 ASN A 13 11.193 2.310 7.846 1.00 0.00 O ATOM 158 ND2 ASN A 13 10.689 3.504 6.079 1.00 0.00 N ATOM 0 H ASN A 13 10.529 2.956 10.106 1.00 0.00 H new ATOM 0 HA ASN A 13 7.898 3.816 9.555 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.892 4.581 7.475 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.100 4.803 8.725 1.00 0.00 H new ATOM 0 HD21 ASN A 13 11.342 2.967 5.508 1.00 0.00 H new ATOM 0 HD22 ASN A 13 10.149 4.262 5.660 1.00 0.00 H new ATOM 165 N GLN A 14 8.266 0.808 8.703 1.00 0.00 N ATOM 166 CA GLN A 14 7.504 -0.359 8.245 1.00 0.00 C ATOM 167 C GLN A 14 6.018 -0.274 8.654 1.00 0.00 C ATOM 168 O GLN A 14 5.154 -0.753 7.927 1.00 0.00 O ATOM 169 CB GLN A 14 8.179 -1.616 8.821 1.00 0.00 C ATOM 170 CG GLN A 14 7.557 -2.927 8.313 1.00 0.00 C ATOM 171 CD GLN A 14 8.242 -4.177 8.865 1.00 0.00 C ATOM 172 OE1 GLN A 14 9.219 -4.126 9.603 1.00 0.00 O ATOM 173 NE2 GLN A 14 7.744 -5.350 8.549 1.00 0.00 N ATOM 0 H GLN A 14 9.059 0.562 9.295 1.00 0.00 H new ATOM 0 HA GLN A 14 7.509 -0.397 7.156 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.238 -1.601 8.564 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.114 -1.589 9.909 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.502 -2.950 8.585 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.606 -2.946 7.224 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.931 -5.411 7.936 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.170 -6.201 8.917 1.00 0.00 H new ATOM 182 N ASP A 15 5.699 0.386 9.772 1.00 0.00 N ATOM 183 CA ASP A 15 4.315 0.629 10.205 1.00 0.00 C ATOM 184 C ASP A 15 3.654 1.813 9.468 1.00 0.00 C ATOM 185 O ASP A 15 2.441 1.836 9.262 1.00 0.00 O ATOM 186 CB ASP A 15 4.320 0.847 11.718 1.00 0.00 C ATOM 187 CG ASP A 15 2.964 0.495 12.334 1.00 0.00 C ATOM 188 OD1 ASP A 15 2.762 -0.705 12.633 1.00 0.00 O ATOM 189 OD2 ASP A 15 2.093 1.386 12.462 1.00 0.00 O ATOM 0 H ASP A 15 6.398 0.770 10.408 1.00 0.00 H new ATOM 0 HA ASP A 15 3.711 -0.242 9.950 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.099 0.235 12.173 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.563 1.887 11.937 1.00 0.00 H new ATOM 194 N ALA A 16 4.458 2.774 9.003 1.00 0.00 N ATOM 195 CA ALA A 16 4.034 3.851 8.106 1.00 0.00 C ATOM 196 C ALA A 16 3.901 3.385 6.639 1.00 0.00 C ATOM 197 O ALA A 16 3.435 4.140 5.787 1.00 0.00 O ATOM 198 CB ALA A 16 5.021 5.016 8.252 1.00 0.00 C ATOM 0 H ALA A 16 5.447 2.825 9.247 1.00 0.00 H new ATOM 0 HA ALA A 16 3.034 4.179 8.391 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.723 5.830 7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.020 5.367 9.284 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.023 4.680 7.985 1.00 0.00 H new ATOM 204 N THR A 17 4.287 2.141 6.338 1.00 0.00 N ATOM 205 CA THR A 17 4.171 1.520 5.013 1.00 0.00 C ATOM 206 C THR A 17 2.984 0.557 4.984 1.00 0.00 C ATOM 207 O THR A 17 2.799 -0.251 5.895 1.00 0.00 O ATOM 208 CB THR A 17 5.490 0.835 4.605 1.00 0.00 C ATOM 209 OG1 THR A 17 6.571 1.732 4.744 1.00 0.00 O ATOM 210 CG2 THR A 17 5.512 0.383 3.142 1.00 0.00 C ATOM 0 H THR A 17 4.702 1.518 7.031 1.00 0.00 H new ATOM 0 HA THR A 17 3.982 2.298 4.274 1.00 0.00 H new ATOM 0 HB THR A 17 5.574 -0.033 5.260 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.732 1.905 5.695 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.469 -0.091 2.922 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.706 -0.330 2.969 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.377 1.248 2.492 1.00 0.00 H new ATOM 218 N VAL A 18 2.174 0.620 3.927 1.00 0.00 N ATOM 219 CA VAL A 18 1.107 -0.352 3.639 1.00 0.00 C ATOM 220 C VAL A 18 1.565 -1.343 2.574 1.00 0.00 C ATOM 221 O VAL A 18 2.329 -0.992 1.676 1.00 0.00 O ATOM 222 CB VAL A 18 -0.235 0.307 3.259 1.00 0.00 C ATOM 223 CG1 VAL A 18 -0.684 1.281 4.348 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.206 1.082 1.942 1.00 0.00 C ATOM 0 H VAL A 18 2.239 1.362 3.230 1.00 0.00 H new ATOM 0 HA VAL A 18 0.915 -0.893 4.565 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.927 -0.527 3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.632 1.735 4.061 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.809 0.743 5.288 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.068 2.060 4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.189 1.512 1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.533 1.880 2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.058 0.407 1.128 1.00 0.00 H new ATOM 234 N TYR A 19 1.074 -2.573 2.671 1.00 0.00 N ATOM 235 CA TYR A 19 1.191 -3.634 1.675 1.00 0.00 C ATOM 236 C TYR A 19 -0.063 -3.654 0.792 1.00 0.00 C ATOM 237 O TYR A 19 -1.176 -3.479 1.295 1.00 0.00 O ATOM 238 CB TYR A 19 1.371 -4.969 2.413 1.00 0.00 C ATOM 239 CG TYR A 19 1.200 -6.201 1.543 1.00 0.00 C ATOM 240 CD1 TYR A 19 2.269 -6.665 0.754 1.00 0.00 C ATOM 241 CD2 TYR A 19 -0.039 -6.873 1.513 1.00 0.00 C ATOM 242 CE1 TYR A 19 2.105 -7.807 -0.054 1.00 0.00 C ATOM 243 CE2 TYR A 19 -0.208 -8.013 0.703 1.00 0.00 C ATOM 244 CZ TYR A 19 0.867 -8.485 -0.082 1.00 0.00 C ATOM 245 OH TYR A 19 0.723 -9.596 -0.857 1.00 0.00 O ATOM 0 H TYR A 19 0.553 -2.875 3.494 1.00 0.00 H new ATOM 0 HA TYR A 19 2.051 -3.463 1.028 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.365 -4.991 2.859 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.653 -5.016 3.232 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.216 -6.145 0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.861 -6.513 2.113 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.929 -8.165 -0.654 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.158 -8.525 0.682 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.188 -9.944 -0.763 1.00 0.00 H new ATOM 255 N VAL A 20 0.115 -3.897 -0.508 1.00 0.00 N ATOM 256 CA VAL A 20 -0.956 -4.038 -1.505 1.00 0.00 C ATOM 257 C VAL A 20 -0.699 -5.293 -2.343 1.00 0.00 C ATOM 258 O VAL A 20 0.197 -5.306 -3.185 1.00 0.00 O ATOM 259 CB VAL A 20 -1.053 -2.796 -2.418 1.00 0.00 C ATOM 260 CG1 VAL A 20 -2.293 -2.915 -3.314 1.00 0.00 C ATOM 261 CG2 VAL A 20 -1.151 -1.479 -1.638 1.00 0.00 C ATOM 0 H VAL A 20 1.044 -4.006 -0.914 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.907 -4.129 -0.980 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.134 -2.770 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.362 -2.039 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.213 -3.812 -3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.186 -2.979 -2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.216 -0.646 -2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.040 -1.494 -1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.266 -1.360 -1.013 1.00 0.00 H new ATOM 271 N GLY A 21 -1.482 -6.350 -2.134 1.00 0.00 N ATOM 272 CA GLY A 21 -1.407 -7.603 -2.890 1.00 0.00 C ATOM 273 C GLY A 21 -2.525 -7.739 -3.925 1.00 0.00 C ATOM 274 O GLY A 21 -3.647 -7.290 -3.695 1.00 0.00 O ATOM 0 H GLY A 21 -2.206 -6.361 -1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.442 -7.660 -3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.455 -8.443 -2.197 1.00 0.00 H new ATOM 278 N GLY A 22 -2.237 -8.393 -5.050 1.00 0.00 N ATOM 279 CA GLY A 22 -3.227 -8.730 -6.086 1.00 0.00 C ATOM 280 C GLY A 22 -3.334 -7.682 -7.197 1.00 0.00 C ATOM 281 O GLY A 22 -4.428 -7.397 -7.682 1.00 0.00 O ATOM 0 H GLY A 22 -1.295 -8.711 -5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.964 -9.691 -6.529 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.204 -8.851 -5.617 1.00 0.00 H new ATOM 285 N LEU A 23 -2.202 -7.086 -7.581 1.00 0.00 N ATOM 286 CA LEU A 23 -2.105 -5.995 -8.546 1.00 0.00 C ATOM 287 C LEU A 23 -2.297 -6.497 -9.978 1.00 0.00 C ATOM 288 O LEU A 23 -1.941 -7.631 -10.312 1.00 0.00 O ATOM 289 CB LEU A 23 -0.735 -5.307 -8.402 1.00 0.00 C ATOM 290 CG LEU A 23 -0.453 -4.666 -7.033 1.00 0.00 C ATOM 291 CD1 LEU A 23 0.917 -4.000 -7.068 1.00 0.00 C ATOM 292 CD2 LEU A 23 -1.504 -3.624 -6.657 1.00 0.00 C ATOM 0 H LEU A 23 -1.293 -7.364 -7.211 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.900 -5.279 -8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.044 -6.042 -8.606 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.654 -4.536 -9.168 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.484 -5.456 -6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.124 -3.543 -6.100 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.679 -4.748 -7.287 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.929 -3.232 -7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.263 -3.199 -5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.515 -2.832 -7.406 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.485 -4.096 -6.614 1.00 0.00 H new ATOM 304 N ASP A 24 -2.828 -5.633 -10.838 1.00 0.00 N ATOM 305 CA ASP A 24 -2.970 -5.894 -12.270 1.00 0.00 C ATOM 306 C ASP A 24 -1.719 -5.457 -13.058 1.00 0.00 C ATOM 307 O ASP A 24 -0.978 -4.575 -12.624 1.00 0.00 O ATOM 308 CB ASP A 24 -4.247 -5.200 -12.763 1.00 0.00 C ATOM 309 CG ASP A 24 -4.485 -5.420 -14.261 1.00 0.00 C ATOM 310 OD1 ASP A 24 -4.050 -4.563 -15.064 1.00 0.00 O ATOM 311 OD2 ASP A 24 -5.073 -6.456 -14.638 1.00 0.00 O ATOM 0 H ASP A 24 -3.178 -4.717 -10.557 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.060 -6.967 -12.442 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.102 -5.576 -12.202 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.179 -4.131 -12.561 1.00 0.00 H new ATOM 316 N GLU A 25 -1.477 -6.035 -14.237 1.00 0.00 N ATOM 317 CA GLU A 25 -0.317 -5.713 -15.090 1.00 0.00 C ATOM 318 C GLU A 25 -0.216 -4.230 -15.513 1.00 0.00 C ATOM 319 O GLU A 25 0.878 -3.766 -15.850 1.00 0.00 O ATOM 320 CB GLU A 25 -0.300 -6.644 -16.315 1.00 0.00 C ATOM 321 CG GLU A 25 -1.485 -6.449 -17.273 1.00 0.00 C ATOM 322 CD GLU A 25 -1.392 -7.419 -18.467 1.00 0.00 C ATOM 323 OE1 GLU A 25 -1.874 -8.574 -18.359 1.00 0.00 O ATOM 324 OE2 GLU A 25 -0.846 -7.033 -19.530 1.00 0.00 O ATOM 0 H GLU A 25 -2.085 -6.750 -14.636 1.00 0.00 H new ATOM 0 HA GLU A 25 0.568 -5.883 -14.477 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.627 -6.484 -16.865 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.292 -7.678 -15.971 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.421 -6.613 -16.738 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.500 -5.421 -17.635 1.00 0.00 H new ATOM 331 N LYS A 26 -1.319 -3.466 -15.459 1.00 0.00 N ATOM 332 CA LYS A 26 -1.352 -2.016 -15.730 1.00 0.00 C ATOM 333 C LYS A 26 -0.930 -1.142 -14.534 1.00 0.00 C ATOM 334 O LYS A 26 -0.699 0.055 -14.710 1.00 0.00 O ATOM 335 CB LYS A 26 -2.749 -1.627 -16.249 1.00 0.00 C ATOM 336 CG LYS A 26 -3.045 -2.285 -17.609 1.00 0.00 C ATOM 337 CD LYS A 26 -4.415 -1.899 -18.187 1.00 0.00 C ATOM 338 CE LYS A 26 -5.620 -2.333 -17.341 1.00 0.00 C ATOM 339 NZ LYS A 26 -5.682 -3.807 -17.152 1.00 0.00 N ATOM 0 H LYS A 26 -2.235 -3.846 -15.220 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.602 -1.816 -16.495 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.505 -1.929 -15.524 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.815 -0.543 -16.345 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.267 -2.003 -18.318 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.998 -3.368 -17.498 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.448 -0.817 -18.312 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.510 -2.337 -19.180 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.570 -1.847 -16.367 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.538 -1.992 -17.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.675 -4.105 -17.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.245 -4.280 -17.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.169 -4.068 -16.286 1.00 0.00 H new ATOM 353 N VAL A 27 -0.801 -1.711 -13.330 1.00 0.00 N ATOM 354 CA VAL A 27 -0.337 -1.003 -12.119 1.00 0.00 C ATOM 355 C VAL A 27 1.176 -0.743 -12.171 1.00 0.00 C ATOM 356 O VAL A 27 1.945 -1.609 -12.591 1.00 0.00 O ATOM 357 CB VAL A 27 -0.715 -1.779 -10.838 1.00 0.00 C ATOM 358 CG1 VAL A 27 -0.243 -1.061 -9.568 1.00 0.00 C ATOM 359 CG2 VAL A 27 -2.237 -1.969 -10.723 1.00 0.00 C ATOM 0 H VAL A 27 -1.018 -2.693 -13.161 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.843 -0.038 -12.090 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.217 -2.745 -10.922 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.531 -1.643 -8.693 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.841 -0.954 -9.592 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.704 -0.075 -9.515 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.467 -2.519 -9.810 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.724 -0.994 -10.692 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.600 -2.529 -11.585 1.00 0.00 H new ATOM 369 N SER A 28 1.609 0.432 -11.702 1.00 0.00 N ATOM 370 CA SER A 28 3.027 0.770 -11.487 1.00 0.00 C ATOM 371 C SER A 28 3.216 1.657 -10.244 1.00 0.00 C ATOM 372 O SER A 28 2.249 2.203 -9.712 1.00 0.00 O ATOM 373 CB SER A 28 3.587 1.442 -12.746 1.00 0.00 C ATOM 374 OG SER A 28 5.003 1.511 -12.683 1.00 0.00 O ATOM 0 H SER A 28 0.975 1.192 -11.455 1.00 0.00 H new ATOM 0 HA SER A 28 3.582 -0.149 -11.301 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.283 0.882 -13.630 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.172 2.445 -12.846 1.00 0.00 H new ATOM 0 HG SER A 28 5.346 1.941 -13.494 1.00 0.00 H new ATOM 380 N GLU A 29 4.450 1.832 -9.770 1.00 0.00 N ATOM 381 CA GLU A 29 4.759 2.618 -8.563 1.00 0.00 C ATOM 382 C GLU A 29 4.239 4.076 -8.616 1.00 0.00 C ATOM 383 O GLU A 29 3.617 4.505 -7.639 1.00 0.00 O ATOM 384 CB GLU A 29 6.277 2.570 -8.289 1.00 0.00 C ATOM 385 CG GLU A 29 6.688 1.308 -7.515 1.00 0.00 C ATOM 386 CD GLU A 29 8.017 0.697 -8.002 1.00 0.00 C ATOM 387 OE1 GLU A 29 8.917 0.453 -7.164 1.00 0.00 O ATOM 388 OE2 GLU A 29 8.150 0.378 -9.208 1.00 0.00 O ATOM 0 H GLU A 29 5.276 1.430 -10.214 1.00 0.00 H new ATOM 0 HA GLU A 29 4.222 2.156 -7.734 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.816 2.605 -9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.570 3.453 -7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.775 1.552 -6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.899 0.562 -7.606 1.00 0.00 H new ATOM 395 N PRO A 30 4.370 4.828 -9.734 1.00 0.00 N ATOM 396 CA PRO A 30 3.782 6.165 -9.852 1.00 0.00 C ATOM 397 C PRO A 30 2.249 6.176 -9.760 1.00 0.00 C ATOM 398 O PRO A 30 1.681 7.153 -9.265 1.00 0.00 O ATOM 399 CB PRO A 30 4.254 6.715 -11.204 1.00 0.00 C ATOM 400 CG PRO A 30 5.539 5.936 -11.474 1.00 0.00 C ATOM 401 CD PRO A 30 5.204 4.565 -10.900 1.00 0.00 C ATOM 0 HA PRO A 30 4.109 6.782 -9.015 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.513 6.550 -11.986 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.437 7.789 -11.159 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.771 5.887 -12.538 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.400 6.386 -10.980 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.676 3.951 -11.630 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.108 4.023 -10.622 1.00 0.00 H new ATOM 409 N LEU A 31 1.572 5.093 -10.179 1.00 0.00 N ATOM 410 CA LEU A 31 0.125 4.955 -9.997 1.00 0.00 C ATOM 411 C LEU A 31 -0.192 4.827 -8.512 1.00 0.00 C ATOM 412 O LEU A 31 -0.991 5.605 -8.001 1.00 0.00 O ATOM 413 CB LEU A 31 -0.433 3.737 -10.757 1.00 0.00 C ATOM 414 CG LEU A 31 -1.965 3.602 -10.629 1.00 0.00 C ATOM 415 CD1 LEU A 31 -2.665 4.606 -11.536 1.00 0.00 C ATOM 416 CD2 LEU A 31 -2.383 2.197 -11.043 1.00 0.00 C ATOM 0 H LEU A 31 2.010 4.300 -10.647 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.352 5.846 -10.405 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.167 3.819 -11.811 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.040 2.831 -10.379 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.247 3.794 -9.594 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.745 4.498 -11.434 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.373 5.617 -11.253 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.378 4.422 -12.571 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.465 2.098 -10.954 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.086 2.019 -12.077 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.897 1.467 -10.395 1.00 0.00 H new ATOM 428 N LEU A 32 0.447 3.873 -7.822 1.00 0.00 N ATOM 429 CA LEU A 32 0.195 3.635 -6.400 1.00 0.00 C ATOM 430 C LEU A 32 0.397 4.907 -5.578 1.00 0.00 C ATOM 431 O LEU A 32 -0.433 5.220 -4.735 1.00 0.00 O ATOM 432 CB LEU A 32 1.103 2.525 -5.841 1.00 0.00 C ATOM 433 CG LEU A 32 0.934 1.132 -6.458 1.00 0.00 C ATOM 434 CD1 LEU A 32 1.660 0.101 -5.596 1.00 0.00 C ATOM 435 CD2 LEU A 32 -0.530 0.708 -6.524 1.00 0.00 C ATOM 0 H LEU A 32 1.145 3.252 -8.231 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.844 3.317 -6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.140 2.833 -5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.927 2.447 -4.768 1.00 0.00 H new ATOM 0 HG LEU A 32 1.343 1.180 -7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.540 -0.890 -6.035 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.720 0.350 -5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.239 0.106 -4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.602 -0.285 -6.968 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.948 0.687 -5.518 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.088 1.419 -7.134 1.00 0.00 H new ATOM 447 N TRP A 33 1.447 5.675 -5.867 1.00 0.00 N ATOM 448 CA TRP A 33 1.729 6.931 -5.179 1.00 0.00 C ATOM 449 C TRP A 33 0.564 7.915 -5.313 1.00 0.00 C ATOM 450 O TRP A 33 -0.075 8.268 -4.322 1.00 0.00 O ATOM 451 CB TRP A 33 3.035 7.515 -5.732 1.00 0.00 C ATOM 452 CG TRP A 33 3.703 8.583 -4.923 1.00 0.00 C ATOM 453 CD1 TRP A 33 3.126 9.628 -4.285 1.00 0.00 C ATOM 454 CD2 TRP A 33 5.132 8.711 -4.674 1.00 0.00 C ATOM 455 NE1 TRP A 33 4.099 10.374 -3.641 1.00 0.00 N ATOM 456 CE2 TRP A 33 5.358 9.856 -3.855 1.00 0.00 C ATOM 457 CE3 TRP A 33 6.255 7.964 -5.076 1.00 0.00 C ATOM 458 CZ2 TRP A 33 6.644 10.237 -3.449 1.00 0.00 C ATOM 459 CZ3 TRP A 33 7.554 8.336 -4.676 1.00 0.00 C ATOM 460 CH2 TRP A 33 7.749 9.471 -3.865 1.00 0.00 C ATOM 0 H TRP A 33 2.128 5.441 -6.589 1.00 0.00 H new ATOM 0 HA TRP A 33 1.848 6.742 -4.112 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.743 6.696 -5.861 1.00 0.00 H new ATOM 0 HB3 TRP A 33 2.831 7.920 -6.723 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.068 9.847 -4.279 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.908 11.203 -3.079 1.00 0.00 H new ATOM 0 HE3 TRP A 33 6.119 7.093 -5.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 6.785 11.107 -2.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 8.403 7.749 -4.992 1.00 0.00 H new ATOM 0 HH2 TRP A 33 8.747 9.753 -3.562 1.00 0.00 H new ATOM 471 N GLU A 34 0.251 8.326 -6.542 1.00 0.00 N ATOM 472 CA GLU A 34 -0.795 9.320 -6.823 1.00 0.00 C ATOM 473 C GLU A 34 -2.215 8.849 -6.460 1.00 0.00 C ATOM 474 O GLU A 34 -3.057 9.664 -6.083 1.00 0.00 O ATOM 475 CB GLU A 34 -0.742 9.724 -8.303 1.00 0.00 C ATOM 476 CG GLU A 34 0.541 10.497 -8.624 1.00 0.00 C ATOM 477 CD GLU A 34 0.459 11.167 -10.010 1.00 0.00 C ATOM 478 OE1 GLU A 34 0.849 10.541 -11.026 1.00 0.00 O ATOM 479 OE2 GLU A 34 0.006 12.336 -10.095 1.00 0.00 O ATOM 0 H GLU A 34 0.718 7.978 -7.380 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.585 10.177 -6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.798 8.832 -8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.609 10.338 -8.546 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.712 11.256 -7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.394 9.819 -8.595 1.00 0.00 H new ATOM 486 N LEU A 35 -2.477 7.541 -6.523 1.00 0.00 N ATOM 487 CA LEU A 35 -3.750 6.939 -6.116 1.00 0.00 C ATOM 488 C LEU A 35 -3.925 6.953 -4.585 1.00 0.00 C ATOM 489 O LEU A 35 -5.033 7.176 -4.099 1.00 0.00 O ATOM 490 CB LEU A 35 -3.833 5.505 -6.682 1.00 0.00 C ATOM 491 CG LEU A 35 -5.253 4.914 -6.714 1.00 0.00 C ATOM 492 CD1 LEU A 35 -6.045 5.411 -7.925 1.00 0.00 C ATOM 493 CD2 LEU A 35 -5.210 3.386 -6.733 1.00 0.00 C ATOM 0 H LEU A 35 -1.799 6.859 -6.864 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.568 7.533 -6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.429 5.503 -7.695 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.195 4.854 -6.084 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.755 5.250 -5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.042 4.972 -7.913 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.126 6.497 -7.886 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.531 5.119 -8.841 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.227 2.994 -6.755 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.671 3.048 -7.618 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.702 3.025 -5.839 1.00 0.00 H new ATOM 505 N PHE A 36 -2.854 6.748 -3.810 1.00 0.00 N ATOM 506 CA PHE A 36 -2.887 6.655 -2.344 1.00 0.00 C ATOM 507 C PHE A 36 -2.775 8.014 -1.637 1.00 0.00 C ATOM 508 O PHE A 36 -3.087 8.105 -0.448 1.00 0.00 O ATOM 509 CB PHE A 36 -1.849 5.630 -1.865 1.00 0.00 C ATOM 510 CG PHE A 36 -2.306 4.172 -1.910 1.00 0.00 C ATOM 511 CD1 PHE A 36 -2.574 3.532 -3.136 1.00 0.00 C ATOM 512 CD2 PHE A 36 -2.458 3.440 -0.715 1.00 0.00 C ATOM 513 CE1 PHE A 36 -2.984 2.188 -3.171 1.00 0.00 C ATOM 514 CE2 PHE A 36 -2.897 2.103 -0.745 1.00 0.00 C ATOM 515 CZ PHE A 36 -3.162 1.477 -1.973 1.00 0.00 C ATOM 0 H PHE A 36 -1.915 6.639 -4.194 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.875 6.296 -2.055 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.952 5.732 -2.476 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.566 5.874 -0.841 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.463 4.080 -4.060 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.236 3.909 0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.162 1.702 -4.119 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.030 1.558 0.178 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.502 0.452 -1.997 1.00 0.00 H new ATOM 525 N LEU A 37 -2.452 9.091 -2.365 1.00 0.00 N ATOM 526 CA LEU A 37 -2.537 10.481 -1.880 1.00 0.00 C ATOM 527 C LEU A 37 -3.927 10.867 -1.321 1.00 0.00 C ATOM 528 O LEU A 37 -4.044 11.806 -0.534 1.00 0.00 O ATOM 529 CB LEU A 37 -2.163 11.435 -3.032 1.00 0.00 C ATOM 530 CG LEU A 37 -0.665 11.563 -3.348 1.00 0.00 C ATOM 531 CD1 LEU A 37 -0.460 12.580 -4.471 1.00 0.00 C ATOM 532 CD2 LEU A 37 0.148 12.024 -2.141 1.00 0.00 C ATOM 0 H LEU A 37 -2.118 9.023 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.840 10.568 -1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.676 11.101 -3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.549 12.426 -2.795 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.319 10.572 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.604 12.668 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.990 12.248 -5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.847 13.550 -4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.200 12.098 -2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.210 12.999 -1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.036 11.304 -1.330 1.00 0.00 H new ATOM 544 N GLN A 38 -4.974 10.125 -1.698 1.00 0.00 N ATOM 545 CA GLN A 38 -6.340 10.256 -1.164 1.00 0.00 C ATOM 546 C GLN A 38 -6.423 9.935 0.337 1.00 0.00 C ATOM 547 O GLN A 38 -7.223 10.536 1.058 1.00 0.00 O ATOM 548 CB GLN A 38 -7.291 9.302 -1.909 1.00 0.00 C ATOM 549 CG GLN A 38 -7.278 9.526 -3.421 1.00 0.00 C ATOM 550 CD GLN A 38 -8.261 8.605 -4.141 1.00 0.00 C ATOM 551 OE1 GLN A 38 -9.424 8.924 -4.351 1.00 0.00 O ATOM 552 NE2 GLN A 38 -7.837 7.422 -4.532 1.00 0.00 N ATOM 0 H GLN A 38 -4.895 9.394 -2.405 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.630 11.296 -1.311 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.008 8.271 -1.695 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.305 9.438 -1.533 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.529 10.565 -3.636 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.272 9.355 -3.805 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.870 7.145 -4.363 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.475 6.782 -5.005 1.00 0.00 H new ATOM 561 N ALA A 39 -5.602 8.992 0.808 1.00 0.00 N ATOM 562 CA ALA A 39 -5.544 8.602 2.216 1.00 0.00 C ATOM 563 C ALA A 39 -4.768 9.616 3.075 1.00 0.00 C ATOM 564 O ALA A 39 -5.229 10.020 4.143 1.00 0.00 O ATOM 565 CB ALA A 39 -4.902 7.219 2.317 1.00 0.00 C ATOM 0 H ALA A 39 -4.953 8.474 0.215 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.562 8.578 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.853 6.916 3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.500 6.499 1.758 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.895 7.254 1.902 1.00 0.00 H new ATOM 571 N GLY A 40 -3.595 10.030 2.592 1.00 0.00 N ATOM 572 CA GLY A 40 -2.700 10.974 3.261 1.00 0.00 C ATOM 573 C GLY A 40 -1.425 11.255 2.453 1.00 0.00 C ATOM 574 O GLY A 40 -1.310 10.806 1.311 1.00 0.00 O ATOM 0 H GLY A 40 -3.231 9.707 1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.230 11.911 3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.426 10.578 4.239 1.00 0.00 H new ATOM 578 N PRO A 41 -0.452 11.987 3.021 1.00 0.00 N ATOM 579 CA PRO A 41 0.798 12.334 2.346 1.00 0.00 C ATOM 580 C PRO A 41 1.674 11.093 2.108 1.00 0.00 C ATOM 581 O PRO A 41 2.226 10.510 3.046 1.00 0.00 O ATOM 582 CB PRO A 41 1.470 13.375 3.250 1.00 0.00 C ATOM 583 CG PRO A 41 0.918 13.050 4.638 1.00 0.00 C ATOM 584 CD PRO A 41 -0.503 12.578 4.348 1.00 0.00 C ATOM 0 HA PRO A 41 0.628 12.741 1.349 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.556 13.291 3.220 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.220 14.392 2.946 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.505 12.277 5.134 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.927 13.924 5.289 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.834 11.851 5.089 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.207 13.409 4.381 1.00 0.00 H new ATOM 592 N VAL A 42 1.812 10.704 0.837 1.00 0.00 N ATOM 593 CA VAL A 42 2.689 9.613 0.383 1.00 0.00 C ATOM 594 C VAL A 42 4.106 10.143 0.152 1.00 0.00 C ATOM 595 O VAL A 42 4.303 11.185 -0.480 1.00 0.00 O ATOM 596 CB VAL A 42 2.145 8.918 -0.882 1.00 0.00 C ATOM 597 CG1 VAL A 42 3.077 7.790 -1.343 1.00 0.00 C ATOM 598 CG2 VAL A 42 0.759 8.304 -0.648 1.00 0.00 C ATOM 0 H VAL A 42 1.304 11.149 0.072 1.00 0.00 H new ATOM 0 HA VAL A 42 2.716 8.858 1.168 1.00 0.00 H new ATOM 0 HB VAL A 42 2.081 9.695 -1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.665 7.320 -2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.061 8.201 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.168 7.046 -0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.414 7.825 -1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.819 7.562 0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.058 9.088 -0.362 1.00 0.00 H new ATOM 608 N VAL A 43 5.089 9.409 0.667 1.00 0.00 N ATOM 609 CA VAL A 43 6.513 9.780 0.738 1.00 0.00 C ATOM 610 C VAL A 43 7.371 8.941 -0.217 1.00 0.00 C ATOM 611 O VAL A 43 8.376 9.429 -0.736 1.00 0.00 O ATOM 612 CB VAL A 43 7.022 9.599 2.188 1.00 0.00 C ATOM 613 CG1 VAL A 43 8.376 10.274 2.428 1.00 0.00 C ATOM 614 CG2 VAL A 43 6.060 10.182 3.227 1.00 0.00 C ATOM 0 H VAL A 43 4.911 8.489 1.069 1.00 0.00 H new ATOM 0 HA VAL A 43 6.602 10.823 0.435 1.00 0.00 H new ATOM 0 HB VAL A 43 7.106 8.519 2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.684 10.115 3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.120 9.845 1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.288 11.343 2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.467 10.027 4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.934 11.250 3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.093 9.684 3.147 1.00 0.00 H new ATOM 624 N ASN A 44 6.996 7.673 -0.422 1.00 0.00 N ATOM 625 CA ASN A 44 7.734 6.670 -1.198 1.00 0.00 C ATOM 626 C ASN A 44 6.806 5.501 -1.624 1.00 0.00 C ATOM 627 O ASN A 44 5.738 5.297 -1.042 1.00 0.00 O ATOM 628 CB ASN A 44 8.928 6.232 -0.319 1.00 0.00 C ATOM 629 CG ASN A 44 9.704 5.032 -0.828 1.00 0.00 C ATOM 630 OD1 ASN A 44 10.107 4.970 -1.980 1.00 0.00 O ATOM 631 ND2 ASN A 44 9.933 4.051 0.014 1.00 0.00 N ATOM 0 H ASN A 44 6.129 7.301 -0.033 1.00 0.00 H new ATOM 0 HA ASN A 44 8.109 7.073 -2.138 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.614 7.073 -0.223 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.558 6.007 0.681 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.452 3.227 -0.291 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.592 4.112 0.973 1.00 0.00 H new ATOM 638 N THR A 45 7.219 4.707 -2.616 1.00 0.00 N ATOM 639 CA THR A 45 6.545 3.481 -3.100 1.00 0.00 C ATOM 640 C THR A 45 7.559 2.387 -3.444 1.00 0.00 C ATOM 641 O THR A 45 8.693 2.689 -3.821 1.00 0.00 O ATOM 642 CB THR A 45 5.697 3.731 -4.363 1.00 0.00 C ATOM 643 OG1 THR A 45 6.371 4.555 -5.291 1.00 0.00 O ATOM 644 CG2 THR A 45 4.351 4.374 -4.057 1.00 0.00 C ATOM 0 H THR A 45 8.075 4.905 -3.135 1.00 0.00 H new ATOM 0 HA THR A 45 5.897 3.166 -2.282 1.00 0.00 H new ATOM 0 HB THR A 45 5.529 2.742 -4.789 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.805 4.691 -6.079 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.800 4.525 -4.986 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.778 3.722 -3.397 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.510 5.336 -3.569 1.00 0.00 H new ATOM 652 N HIS A 46 7.157 1.112 -3.363 1.00 0.00 N ATOM 653 CA HIS A 46 7.992 -0.023 -3.774 1.00 0.00 C ATOM 654 C HIS A 46 7.155 -1.117 -4.447 1.00 0.00 C ATOM 655 O HIS A 46 6.136 -1.525 -3.900 1.00 0.00 O ATOM 656 CB HIS A 46 8.735 -0.581 -2.547 1.00 0.00 C ATOM 657 CG HIS A 46 9.939 -1.402 -2.933 1.00 0.00 C ATOM 658 ND1 HIS A 46 9.906 -2.709 -3.424 1.00 0.00 N ATOM 659 CD2 HIS A 46 11.233 -0.971 -2.911 1.00 0.00 C ATOM 660 CE1 HIS A 46 11.183 -3.040 -3.680 1.00 0.00 C ATOM 661 NE2 HIS A 46 12.001 -2.016 -3.381 1.00 0.00 N ATOM 0 H HIS A 46 6.240 0.838 -3.009 1.00 0.00 H new ATOM 0 HA HIS A 46 8.719 0.325 -4.508 1.00 0.00 H new ATOM 0 HB2 HIS A 46 9.050 0.245 -1.909 1.00 0.00 H new ATOM 0 HB3 HIS A 46 8.052 -1.195 -1.960 1.00 0.00 H new ATOM 0 HD2 HIS A 46 11.586 -0.003 -2.589 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.506 -3.994 -4.071 1.00 0.00 H new ATOM 0 HE2 HIS A 46 13.016 -2.012 -3.484 1.00 0.00 H new ATOM 669 N MET A 47 7.568 -1.619 -5.609 1.00 0.00 N ATOM 670 CA MET A 47 6.985 -2.810 -6.245 1.00 0.00 C ATOM 671 C MET A 47 8.108 -3.756 -6.695 1.00 0.00 C ATOM 672 O MET A 47 8.778 -3.454 -7.689 1.00 0.00 O ATOM 673 CB MET A 47 6.077 -2.422 -7.426 1.00 0.00 C ATOM 674 CG MET A 47 4.731 -1.866 -6.945 1.00 0.00 C ATOM 675 SD MET A 47 3.659 -1.137 -8.212 1.00 0.00 S ATOM 676 CE MET A 47 3.466 -2.553 -9.310 1.00 0.00 C ATOM 0 H MET A 47 8.329 -1.207 -6.148 1.00 0.00 H new ATOM 0 HA MET A 47 6.361 -3.327 -5.516 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.580 -1.677 -8.042 1.00 0.00 H new ATOM 0 HB3 MET A 47 5.906 -3.295 -8.056 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.183 -2.672 -6.457 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.926 -1.108 -6.186 1.00 0.00 H new ATOM 0 HE1 MET A 47 2.582 -2.413 -9.932 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.347 -2.643 -9.946 1.00 0.00 H new ATOM 0 HE3 MET A 47 3.352 -3.460 -8.717 1.00 0.00 H new ATOM 686 N PRO A 48 8.332 -4.891 -6.007 1.00 0.00 N ATOM 687 CA PRO A 48 9.328 -5.887 -6.405 1.00 0.00 C ATOM 688 C PRO A 48 9.105 -6.417 -7.830 1.00 0.00 C ATOM 689 O PRO A 48 7.961 -6.590 -8.264 1.00 0.00 O ATOM 690 CB PRO A 48 9.245 -6.991 -5.346 1.00 0.00 C ATOM 691 CG PRO A 48 8.778 -6.226 -4.107 1.00 0.00 C ATOM 692 CD PRO A 48 7.785 -5.227 -4.699 1.00 0.00 C ATOM 0 HA PRO A 48 10.326 -5.450 -6.446 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.541 -7.773 -5.629 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.209 -7.473 -5.186 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.307 -6.883 -3.376 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.605 -5.727 -3.601 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.790 -5.663 -4.786 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.691 -4.342 -4.070 1.00 0.00 H new ATOM 700 N LYS A 49 10.198 -6.671 -8.564 1.00 0.00 N ATOM 701 CA LYS A 49 10.186 -7.031 -9.996 1.00 0.00 C ATOM 702 C LYS A 49 10.552 -8.496 -10.259 1.00 0.00 C ATOM 703 O LYS A 49 11.250 -9.136 -9.472 1.00 0.00 O ATOM 704 CB LYS A 49 11.088 -6.078 -10.808 1.00 0.00 C ATOM 705 CG LYS A 49 10.773 -4.575 -10.679 1.00 0.00 C ATOM 706 CD LYS A 49 9.322 -4.206 -11.035 1.00 0.00 C ATOM 707 CE LYS A 49 9.088 -2.689 -11.165 1.00 0.00 C ATOM 708 NZ LYS A 49 9.467 -1.944 -9.938 1.00 0.00 N ATOM 0 H LYS A 49 11.139 -6.632 -8.172 1.00 0.00 H new ATOM 0 HA LYS A 49 9.156 -6.914 -10.333 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.122 -6.240 -10.502 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.020 -6.354 -11.860 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.977 -4.258 -9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.448 -4.016 -11.327 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.053 -4.689 -11.974 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.656 -4.604 -10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.663 -2.308 -12.009 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.037 -2.505 -11.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.994 -1.018 -9.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.175 -2.485 -9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.498 -1.807 -9.920 1.00 0.00 H new ATOM 722 N ASP A 50 10.064 -9.026 -11.373 1.00 0.00 N ATOM 723 CA ASP A 50 10.288 -10.383 -11.873 1.00 0.00 C ATOM 724 C ASP A 50 11.656 -10.535 -12.572 1.00 0.00 C ATOM 725 O ASP A 50 12.112 -9.631 -13.277 1.00 0.00 O ATOM 726 CB ASP A 50 9.137 -10.736 -12.826 1.00 0.00 C ATOM 727 CG ASP A 50 9.328 -12.123 -13.436 1.00 0.00 C ATOM 728 OD1 ASP A 50 9.790 -12.171 -14.596 1.00 0.00 O ATOM 729 OD2 ASP A 50 9.090 -13.138 -12.740 1.00 0.00 O ATOM 0 H ASP A 50 9.461 -8.487 -11.995 1.00 0.00 H new ATOM 0 HA ASP A 50 10.307 -11.073 -11.030 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.191 -10.701 -12.286 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.078 -9.992 -13.620 1.00 0.00 H new ATOM 734 N ARG A 51 12.294 -11.702 -12.420 1.00 0.00 N ATOM 735 CA ARG A 51 13.657 -11.991 -12.917 1.00 0.00 C ATOM 736 C ARG A 51 13.745 -12.507 -14.367 1.00 0.00 C ATOM 737 O ARG A 51 14.824 -12.925 -14.791 1.00 0.00 O ATOM 738 CB ARG A 51 14.389 -12.896 -11.903 1.00 0.00 C ATOM 739 CG ARG A 51 13.824 -14.325 -11.826 1.00 0.00 C ATOM 740 CD ARG A 51 14.576 -15.158 -10.779 1.00 0.00 C ATOM 741 NE ARG A 51 14.018 -16.523 -10.672 1.00 0.00 N ATOM 742 CZ ARG A 51 14.307 -17.571 -11.426 1.00 0.00 C ATOM 743 NH1 ARG A 51 15.164 -17.513 -12.408 1.00 0.00 N ATOM 744 NH2 ARG A 51 13.726 -18.716 -11.207 1.00 0.00 N ATOM 0 H ARG A 51 11.872 -12.495 -11.937 1.00 0.00 H new ATOM 0 HA ARG A 51 14.172 -11.033 -12.986 1.00 0.00 H new ATOM 0 HB2 ARG A 51 15.444 -12.946 -12.171 1.00 0.00 H new ATOM 0 HB3 ARG A 51 14.332 -12.439 -10.915 1.00 0.00 H new ATOM 0 HG2 ARG A 51 12.764 -14.288 -11.574 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.903 -14.804 -12.802 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.631 -15.215 -11.047 1.00 0.00 H new ATOM 0 HD3 ARG A 51 14.519 -14.663 -9.809 1.00 0.00 H new ATOM 0 HE ARG A 51 13.332 -16.674 -9.932 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.640 -16.636 -12.618 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.358 -18.345 -12.965 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.046 -18.807 -10.452 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.951 -19.522 -11.790 1.00 0.00 H new ATOM 758 N VAL A 52 12.641 -12.502 -15.124 1.00 0.00 N ATOM 759 CA VAL A 52 12.544 -13.090 -16.480 1.00 0.00 C ATOM 760 C VAL A 52 11.885 -12.118 -17.465 1.00 0.00 C ATOM 761 O VAL A 52 12.312 -12.017 -18.617 1.00 0.00 O ATOM 762 CB VAL A 52 11.756 -14.423 -16.450 1.00 0.00 C ATOM 763 CG1 VAL A 52 11.770 -15.124 -17.817 1.00 0.00 C ATOM 764 CG2 VAL A 52 12.324 -15.417 -15.425 1.00 0.00 C ATOM 0 H VAL A 52 11.766 -12.081 -14.810 1.00 0.00 H new ATOM 0 HA VAL A 52 13.560 -13.288 -16.820 1.00 0.00 H new ATOM 0 HB VAL A 52 10.739 -14.145 -16.173 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.207 -16.055 -17.754 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.314 -14.474 -18.564 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.799 -15.341 -18.104 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.736 -16.335 -15.444 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.360 -15.645 -15.675 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.279 -14.978 -14.429 1.00 0.00 H new ATOM 774 N THR A 53 10.874 -11.372 -17.009 1.00 0.00 N ATOM 775 CA THR A 53 10.057 -10.451 -17.815 1.00 0.00 C ATOM 776 C THR A 53 10.198 -8.997 -17.370 1.00 0.00 C ATOM 777 O THR A 53 9.852 -8.080 -18.117 1.00 0.00 O ATOM 778 CB THR A 53 8.570 -10.839 -17.761 1.00 0.00 C ATOM 779 OG1 THR A 53 8.073 -10.748 -16.439 1.00 0.00 O ATOM 780 CG2 THR A 53 8.300 -12.259 -18.257 1.00 0.00 C ATOM 0 H THR A 53 10.589 -11.392 -16.030 1.00 0.00 H new ATOM 0 HA THR A 53 10.430 -10.537 -18.836 1.00 0.00 H new ATOM 0 HB THR A 53 8.065 -10.134 -18.422 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.631 -11.289 -15.842 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.233 -12.470 -18.193 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.626 -12.351 -19.293 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.848 -12.971 -17.639 1.00 0.00 H new ATOM 788 N GLY A 54 10.692 -8.775 -16.148 1.00 0.00 N ATOM 789 CA GLY A 54 10.847 -7.458 -15.537 1.00 0.00 C ATOM 790 C GLY A 54 9.530 -6.767 -15.137 1.00 0.00 C ATOM 791 O GLY A 54 9.543 -5.596 -14.751 1.00 0.00 O ATOM 0 H GLY A 54 11.004 -9.533 -15.541 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.472 -7.557 -14.649 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.382 -6.812 -16.233 1.00 0.00 H new ATOM 795 N GLN A 55 8.400 -7.481 -15.210 1.00 0.00 N ATOM 796 CA GLN A 55 7.095 -7.058 -14.676 1.00 0.00 C ATOM 797 C GLN A 55 7.128 -6.995 -13.137 1.00 0.00 C ATOM 798 O GLN A 55 8.086 -7.459 -12.518 1.00 0.00 O ATOM 799 CB GLN A 55 6.018 -8.054 -15.145 1.00 0.00 C ATOM 800 CG GLN A 55 5.867 -8.123 -16.674 1.00 0.00 C ATOM 801 CD GLN A 55 4.847 -9.184 -17.080 1.00 0.00 C ATOM 802 OE1 GLN A 55 3.708 -8.898 -17.427 1.00 0.00 O ATOM 803 NE2 GLN A 55 5.212 -10.448 -17.039 1.00 0.00 N ATOM 0 H GLN A 55 8.365 -8.398 -15.656 1.00 0.00 H new ATOM 0 HA GLN A 55 6.862 -6.060 -15.047 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.264 -9.047 -14.767 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.060 -7.774 -14.706 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.556 -7.151 -17.056 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.832 -8.350 -17.128 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.159 -10.696 -16.751 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.548 -11.179 -17.295 1.00 0.00 H new ATOM 812 N HIS A 56 6.093 -6.464 -12.480 1.00 0.00 N ATOM 813 CA HIS A 56 5.971 -6.576 -11.016 1.00 0.00 C ATOM 814 C HIS A 56 5.566 -7.996 -10.572 1.00 0.00 C ATOM 815 O HIS A 56 4.996 -8.768 -11.347 1.00 0.00 O ATOM 816 CB HIS A 56 5.048 -5.482 -10.464 1.00 0.00 C ATOM 817 CG HIS A 56 3.600 -5.605 -10.870 1.00 0.00 C ATOM 818 ND1 HIS A 56 2.704 -6.555 -10.376 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.936 -4.776 -11.727 1.00 0.00 C ATOM 820 CE1 HIS A 56 1.525 -6.287 -10.959 1.00 0.00 C ATOM 821 NE2 HIS A 56 1.632 -5.217 -11.759 1.00 0.00 N ATOM 0 H HIS A 56 5.332 -5.956 -12.930 1.00 0.00 H new ATOM 0 HA HIS A 56 6.956 -6.410 -10.580 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.107 -5.493 -9.376 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.421 -4.512 -10.794 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.351 -3.941 -12.272 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.618 -6.853 -10.805 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.875 -4.800 -12.300 1.00 0.00 H new ATOM 829 N GLN A 57 5.859 -8.352 -9.316 1.00 0.00 N ATOM 830 CA GLN A 57 5.590 -9.684 -8.741 1.00 0.00 C ATOM 831 C GLN A 57 4.117 -9.913 -8.310 1.00 0.00 C ATOM 832 O GLN A 57 3.818 -10.876 -7.601 1.00 0.00 O ATOM 833 CB GLN A 57 6.572 -9.959 -7.584 1.00 0.00 C ATOM 834 CG GLN A 57 8.041 -10.092 -8.024 1.00 0.00 C ATOM 835 CD GLN A 57 8.984 -10.434 -6.865 1.00 0.00 C ATOM 836 OE1 GLN A 57 8.590 -10.869 -5.789 1.00 0.00 O ATOM 837 NE2 GLN A 57 10.278 -10.266 -7.031 1.00 0.00 N ATOM 0 H GLN A 57 6.299 -7.713 -8.654 1.00 0.00 H new ATOM 0 HA GLN A 57 5.753 -10.407 -9.541 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.494 -9.152 -6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.271 -10.876 -7.077 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.117 -10.866 -8.788 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.363 -9.158 -8.484 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.636 -9.906 -7.915 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.923 -10.496 -6.275 1.00 0.00 H new ATOM 846 N GLY A 58 3.182 -9.040 -8.707 1.00 0.00 N ATOM 847 CA GLY A 58 1.762 -9.094 -8.327 1.00 0.00 C ATOM 848 C GLY A 58 1.415 -8.368 -7.020 1.00 0.00 C ATOM 849 O GLY A 58 0.251 -8.368 -6.613 1.00 0.00 O ATOM 0 H GLY A 58 3.398 -8.253 -9.319 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.168 -8.663 -9.133 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.465 -10.139 -8.235 1.00 0.00 H new ATOM 853 N TYR A 59 2.393 -7.735 -6.364 1.00 0.00 N ATOM 854 CA TYR A 59 2.215 -6.967 -5.127 1.00 0.00 C ATOM 855 C TYR A 59 3.136 -5.735 -5.066 1.00 0.00 C ATOM 856 O TYR A 59 4.138 -5.642 -5.781 1.00 0.00 O ATOM 857 CB TYR A 59 2.409 -7.876 -3.903 1.00 0.00 C ATOM 858 CG TYR A 59 3.827 -8.373 -3.684 1.00 0.00 C ATOM 859 CD1 TYR A 59 4.290 -9.509 -4.376 1.00 0.00 C ATOM 860 CD2 TYR A 59 4.678 -7.708 -2.777 1.00 0.00 C ATOM 861 CE1 TYR A 59 5.606 -9.969 -4.182 1.00 0.00 C ATOM 862 CE2 TYR A 59 5.985 -8.182 -2.563 1.00 0.00 C ATOM 863 CZ TYR A 59 6.462 -9.301 -3.279 1.00 0.00 C ATOM 864 OH TYR A 59 7.741 -9.726 -3.097 1.00 0.00 O ATOM 0 H TYR A 59 3.360 -7.743 -6.689 1.00 0.00 H new ATOM 0 HA TYR A 59 1.193 -6.587 -5.118 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.090 -7.333 -3.013 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.750 -8.739 -4.003 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.633 -10.029 -5.058 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.326 -6.835 -2.247 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.961 -10.833 -4.724 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.626 -7.688 -1.848 1.00 0.00 H new ATOM 0 HH TYR A 59 8.080 -10.110 -3.932 1.00 0.00 H new ATOM 874 N GLY A 60 2.778 -4.782 -4.205 1.00 0.00 N ATOM 875 CA GLY A 60 3.468 -3.512 -3.996 1.00 0.00 C ATOM 876 C GLY A 60 3.307 -2.960 -2.579 1.00 0.00 C ATOM 877 O GLY A 60 2.663 -3.565 -1.718 1.00 0.00 O ATOM 0 H GLY A 60 1.959 -4.881 -3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.529 -3.644 -4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.089 -2.779 -4.709 1.00 0.00 H new ATOM 881 N PHE A 61 3.889 -1.786 -2.354 1.00 0.00 N ATOM 882 CA PHE A 61 3.912 -1.066 -1.085 1.00 0.00 C ATOM 883 C PHE A 61 3.805 0.450 -1.293 1.00 0.00 C ATOM 884 O PHE A 61 4.322 0.988 -2.278 1.00 0.00 O ATOM 885 CB PHE A 61 5.218 -1.355 -0.329 1.00 0.00 C ATOM 886 CG PHE A 61 5.489 -2.806 0.012 1.00 0.00 C ATOM 887 CD1 PHE A 61 5.016 -3.344 1.224 1.00 0.00 C ATOM 888 CD2 PHE A 61 6.259 -3.604 -0.855 1.00 0.00 C ATOM 889 CE1 PHE A 61 5.323 -4.672 1.574 1.00 0.00 C ATOM 890 CE2 PHE A 61 6.560 -4.932 -0.509 1.00 0.00 C ATOM 891 CZ PHE A 61 6.092 -5.467 0.705 1.00 0.00 C ATOM 0 H PHE A 61 4.384 -1.285 -3.092 1.00 0.00 H new ATOM 0 HA PHE A 61 3.053 -1.411 -0.509 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.049 -0.983 -0.928 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.211 -0.781 0.598 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.417 -2.737 1.886 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.619 -3.195 -1.787 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.969 -5.080 2.509 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.151 -5.543 -1.176 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.323 -6.488 0.970 1.00 0.00 H new ATOM 901 N VAL A 62 3.204 1.144 -0.323 1.00 0.00 N ATOM 902 CA VAL A 62 3.098 2.614 -0.288 1.00 0.00 C ATOM 903 C VAL A 62 3.485 3.123 1.099 1.00 0.00 C ATOM 904 O VAL A 62 2.963 2.642 2.101 1.00 0.00 O ATOM 905 CB VAL A 62 1.682 3.093 -0.664 1.00 0.00 C ATOM 906 CG1 VAL A 62 1.639 4.618 -0.779 1.00 0.00 C ATOM 907 CG2 VAL A 62 1.196 2.488 -1.986 1.00 0.00 C ATOM 0 H VAL A 62 2.766 0.694 0.481 1.00 0.00 H new ATOM 0 HA VAL A 62 3.785 3.023 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 62 1.021 2.757 0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.630 4.935 -1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.919 5.063 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.337 4.945 -1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.194 2.855 -2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.874 2.776 -2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.174 1.401 -1.902 1.00 0.00 H new ATOM 917 N GLU A 63 4.396 4.088 1.173 1.00 0.00 N ATOM 918 CA GLU A 63 4.902 4.658 2.425 1.00 0.00 C ATOM 919 C GLU A 63 4.298 6.041 2.681 1.00 0.00 C ATOM 920 O GLU A 63 4.456 6.958 1.875 1.00 0.00 O ATOM 921 CB GLU A 63 6.430 4.714 2.370 1.00 0.00 C ATOM 922 CG GLU A 63 7.059 5.119 3.709 1.00 0.00 C ATOM 923 CD GLU A 63 8.600 5.020 3.711 1.00 0.00 C ATOM 924 OE1 GLU A 63 9.213 4.527 2.732 1.00 0.00 O ATOM 925 OE2 GLU A 63 9.214 5.447 4.718 1.00 0.00 O ATOM 0 H GLU A 63 4.816 4.509 0.344 1.00 0.00 H new ATOM 0 HA GLU A 63 4.603 4.022 3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.814 3.738 2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.735 5.424 1.601 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.767 6.142 3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.659 4.482 4.498 1.00 0.00 H new ATOM 932 N PHE A 64 3.637 6.196 3.823 1.00 0.00 N ATOM 933 CA PHE A 64 3.056 7.450 4.292 1.00 0.00 C ATOM 934 C PHE A 64 3.982 8.189 5.261 1.00 0.00 C ATOM 935 O PHE A 64 4.913 7.615 5.829 1.00 0.00 O ATOM 936 CB PHE A 64 1.697 7.163 4.935 1.00 0.00 C ATOM 937 CG PHE A 64 0.646 6.782 3.917 1.00 0.00 C ATOM 938 CD1 PHE A 64 0.418 5.432 3.591 1.00 0.00 C ATOM 939 CD2 PHE A 64 -0.063 7.799 3.256 1.00 0.00 C ATOM 940 CE1 PHE A 64 -0.539 5.101 2.615 1.00 0.00 C ATOM 941 CE2 PHE A 64 -1.015 7.467 2.281 1.00 0.00 C ATOM 942 CZ PHE A 64 -1.257 6.122 1.967 1.00 0.00 C ATOM 0 H PHE A 64 3.485 5.424 4.472 1.00 0.00 H new ATOM 0 HA PHE A 64 2.921 8.110 3.435 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.805 6.357 5.661 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.365 8.044 5.484 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.976 4.653 4.089 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.125 8.835 3.498 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.722 4.067 2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.562 8.247 1.772 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.999 5.869 1.224 1.00 0.00 H new ATOM 952 N LEU A 65 3.700 9.475 5.479 1.00 0.00 N ATOM 953 CA LEU A 65 4.422 10.293 6.457 1.00 0.00 C ATOM 954 C LEU A 65 4.236 9.780 7.899 1.00 0.00 C ATOM 955 O LEU A 65 5.170 9.859 8.702 1.00 0.00 O ATOM 956 CB LEU A 65 3.947 11.749 6.312 1.00 0.00 C ATOM 957 CG LEU A 65 4.880 12.772 6.980 1.00 0.00 C ATOM 958 CD1 LEU A 65 6.155 12.988 6.162 1.00 0.00 C ATOM 959 CD2 LEU A 65 4.167 14.120 7.101 1.00 0.00 C ATOM 0 H LEU A 65 2.965 9.979 4.983 1.00 0.00 H new ATOM 0 HA LEU A 65 5.491 10.229 6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.858 11.989 5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.951 11.842 6.745 1.00 0.00 H new ATOM 0 HG LEU A 65 5.144 12.378 7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.790 13.717 6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.691 12.044 6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.893 13.357 5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.832 14.842 7.575 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.892 14.477 6.108 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.268 14.003 7.706 1.00 0.00 H new ATOM 971 N SER A 66 3.057 9.225 8.208 1.00 0.00 N ATOM 972 CA SER A 66 2.689 8.749 9.549 1.00 0.00 C ATOM 973 C SER A 66 1.856 7.469 9.511 1.00 0.00 C ATOM 974 O SER A 66 1.195 7.131 8.528 1.00 0.00 O ATOM 975 CB SER A 66 1.930 9.832 10.334 1.00 0.00 C ATOM 976 OG SER A 66 2.573 11.100 10.281 1.00 0.00 O ATOM 0 H SER A 66 2.317 9.091 7.519 1.00 0.00 H new ATOM 0 HA SER A 66 3.627 8.523 10.057 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.920 9.924 9.934 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.834 9.521 11.374 1.00 0.00 H new ATOM 0 HG SER A 66 2.051 11.753 10.793 1.00 0.00 H new ATOM 982 N GLU A 67 1.876 6.750 10.626 1.00 0.00 N ATOM 983 CA GLU A 67 1.266 5.434 10.804 1.00 0.00 C ATOM 984 C GLU A 67 -0.272 5.460 10.764 1.00 0.00 C ATOM 985 O GLU A 67 -0.897 4.494 10.327 1.00 0.00 O ATOM 986 CB GLU A 67 1.731 4.887 12.156 1.00 0.00 C ATOM 987 CG GLU A 67 3.236 4.569 12.247 1.00 0.00 C ATOM 988 CD GLU A 67 4.172 5.790 12.403 1.00 0.00 C ATOM 989 OE1 GLU A 67 3.704 6.900 12.760 1.00 0.00 O ATOM 990 OE2 GLU A 67 5.394 5.643 12.167 1.00 0.00 O ATOM 0 H GLU A 67 2.339 7.082 11.472 1.00 0.00 H new ATOM 0 HA GLU A 67 1.580 4.802 9.974 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.481 5.613 12.930 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.169 3.979 12.376 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.397 3.901 13.093 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.528 4.023 11.350 1.00 0.00 H new ATOM 997 N GLU A 68 -0.885 6.572 11.179 1.00 0.00 N ATOM 998 CA GLU A 68 -2.339 6.784 11.111 1.00 0.00 C ATOM 999 C GLU A 68 -2.835 7.064 9.681 1.00 0.00 C ATOM 1000 O GLU A 68 -3.967 6.721 9.338 1.00 0.00 O ATOM 1001 CB GLU A 68 -2.755 7.894 12.092 1.00 0.00 C ATOM 1002 CG GLU A 68 -2.162 9.277 11.781 1.00 0.00 C ATOM 1003 CD GLU A 68 -2.592 10.308 12.843 1.00 0.00 C ATOM 1004 OE1 GLU A 68 -3.680 10.918 12.701 1.00 0.00 O ATOM 1005 OE2 GLU A 68 -1.844 10.519 13.830 1.00 0.00 O ATOM 0 H GLU A 68 -0.380 7.364 11.578 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.824 5.855 11.411 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.842 7.971 12.093 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.455 7.602 13.099 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.074 9.213 11.750 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.491 9.605 10.795 1.00 0.00 H new ATOM 1012 N ASP A 69 -1.980 7.619 8.814 1.00 0.00 N ATOM 1013 CA ASP A 69 -2.270 7.780 7.385 1.00 0.00 C ATOM 1014 C ASP A 69 -2.196 6.430 6.652 1.00 0.00 C ATOM 1015 O ASP A 69 -3.014 6.163 5.771 1.00 0.00 O ATOM 1016 CB ASP A 69 -1.313 8.815 6.775 1.00 0.00 C ATOM 1017 CG ASP A 69 -1.579 10.231 7.307 1.00 0.00 C ATOM 1018 OD1 ASP A 69 -0.682 10.807 7.965 1.00 0.00 O ATOM 1019 OD2 ASP A 69 -2.675 10.782 7.046 1.00 0.00 O ATOM 0 H ASP A 69 -1.062 7.971 9.086 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.289 8.148 7.267 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.284 8.532 6.997 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.418 8.810 5.690 1.00 0.00 H new ATOM 1024 N ALA A 70 -1.294 5.535 7.082 1.00 0.00 N ATOM 1025 CA ALA A 70 -1.258 4.152 6.612 1.00 0.00 C ATOM 1026 C ALA A 70 -2.504 3.373 7.076 1.00 0.00 C ATOM 1027 O ALA A 70 -3.179 2.747 6.260 1.00 0.00 O ATOM 1028 CB ALA A 70 0.049 3.501 7.104 1.00 0.00 C ATOM 0 H ALA A 70 -0.570 5.755 7.766 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.275 4.131 5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.092 2.467 6.762 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.902 4.051 6.706 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.079 3.524 8.193 1.00 0.00 H new ATOM 1034 N ASP A 71 -2.867 3.468 8.361 1.00 0.00 N ATOM 1035 CA ASP A 71 -4.079 2.845 8.920 1.00 0.00 C ATOM 1036 C ASP A 71 -5.367 3.278 8.191 1.00 0.00 C ATOM 1037 O ASP A 71 -6.264 2.462 7.963 1.00 0.00 O ATOM 1038 CB ASP A 71 -4.159 3.176 10.416 1.00 0.00 C ATOM 1039 CG ASP A 71 -5.334 2.454 11.097 1.00 0.00 C ATOM 1040 OD1 ASP A 71 -5.241 1.221 11.306 1.00 0.00 O ATOM 1041 OD2 ASP A 71 -6.336 3.120 11.448 1.00 0.00 O ATOM 0 H ASP A 71 -2.323 3.985 9.052 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.003 1.767 8.776 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.226 2.891 10.902 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.270 4.253 10.545 1.00 0.00 H new ATOM 1046 N TYR A 72 -5.434 4.539 7.752 1.00 0.00 N ATOM 1047 CA TYR A 72 -6.561 5.065 6.981 1.00 0.00 C ATOM 1048 C TYR A 72 -6.554 4.595 5.520 1.00 0.00 C ATOM 1049 O TYR A 72 -7.614 4.283 4.979 1.00 0.00 O ATOM 1050 CB TYR A 72 -6.564 6.594 7.055 1.00 0.00 C ATOM 1051 CG TYR A 72 -7.818 7.207 6.460 1.00 0.00 C ATOM 1052 CD1 TYR A 72 -9.048 7.106 7.142 1.00 0.00 C ATOM 1053 CD2 TYR A 72 -7.762 7.841 5.207 1.00 0.00 C ATOM 1054 CE1 TYR A 72 -10.220 7.637 6.567 1.00 0.00 C ATOM 1055 CE2 TYR A 72 -8.929 8.376 4.628 1.00 0.00 C ATOM 1056 CZ TYR A 72 -10.162 8.273 5.305 1.00 0.00 C ATOM 1057 OH TYR A 72 -11.288 8.792 4.742 1.00 0.00 O ATOM 0 H TYR A 72 -4.701 5.227 7.924 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.475 4.671 7.426 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.472 6.903 8.096 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.691 6.981 6.529 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.092 6.621 8.106 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.819 7.918 4.686 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.162 7.558 7.090 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.880 8.865 3.666 1.00 0.00 H new ATOM 0 HH TYR A 72 -11.066 9.193 3.876 1.00 0.00 H new ATOM 1067 N ALA A 73 -5.388 4.467 4.878 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.298 3.969 3.503 1.00 0.00 C ATOM 1069 C ALA A 73 -5.826 2.528 3.388 1.00 0.00 C ATOM 1070 O ALA A 73 -6.564 2.201 2.459 1.00 0.00 O ATOM 1071 CB ALA A 73 -3.849 4.093 3.029 1.00 0.00 C ATOM 0 H ALA A 73 -4.487 4.704 5.294 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.933 4.572 2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.768 3.725 2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.543 5.139 3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.202 3.504 3.679 1.00 0.00 H new ATOM 1077 N ILE A 74 -5.533 1.700 4.394 1.00 0.00 N ATOM 1078 CA ILE A 74 -6.030 0.322 4.522 1.00 0.00 C ATOM 1079 C ILE A 74 -7.564 0.296 4.630 1.00 0.00 C ATOM 1080 O ILE A 74 -8.212 -0.554 4.019 1.00 0.00 O ATOM 1081 CB ILE A 74 -5.350 -0.344 5.743 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -3.817 -0.377 5.551 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -5.868 -1.774 5.978 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -3.052 -0.572 6.856 1.00 0.00 C ATOM 0 H ILE A 74 -4.926 1.975 5.166 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.775 -0.246 3.627 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.599 0.255 6.619 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.561 -1.183 4.863 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.496 0.554 5.085 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.365 -2.205 6.844 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.943 -1.747 6.159 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.663 -2.384 5.098 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.981 -0.586 6.652 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.281 0.247 7.538 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.347 -1.517 7.313 1.00 0.00 H new ATOM 1096 N LYS A 75 -8.162 1.265 5.336 1.00 0.00 N ATOM 1097 CA LYS A 75 -9.619 1.406 5.482 1.00 0.00 C ATOM 1098 C LYS A 75 -10.331 1.732 4.157 1.00 0.00 C ATOM 1099 O LYS A 75 -11.439 1.238 3.940 1.00 0.00 O ATOM 1100 CB LYS A 75 -9.899 2.443 6.588 1.00 0.00 C ATOM 1101 CG LYS A 75 -11.392 2.709 6.812 1.00 0.00 C ATOM 1102 CD LYS A 75 -11.614 3.595 8.048 1.00 0.00 C ATOM 1103 CE LYS A 75 -13.091 3.964 8.250 1.00 0.00 C ATOM 1104 NZ LYS A 75 -13.926 2.795 8.638 1.00 0.00 N ATOM 0 H LYS A 75 -7.638 1.987 5.831 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.041 0.445 5.778 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.456 2.096 7.521 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.406 3.380 6.330 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.815 3.194 5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.919 1.763 6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.248 3.076 8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.026 4.507 7.948 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.168 4.732 9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.483 4.396 7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.913 3.099 8.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.877 2.071 7.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.572 2.397 9.531 1.00 0.00 H new ATOM 1118 N ILE A 76 -9.716 2.521 3.267 1.00 0.00 N ATOM 1119 CA ILE A 76 -10.359 3.025 2.038 1.00 0.00 C ATOM 1120 C ILE A 76 -9.978 2.300 0.733 1.00 0.00 C ATOM 1121 O ILE A 76 -10.657 2.513 -0.269 1.00 0.00 O ATOM 1122 CB ILE A 76 -10.152 4.544 1.889 1.00 0.00 C ATOM 1123 CG1 ILE A 76 -8.666 4.909 1.716 1.00 0.00 C ATOM 1124 CG2 ILE A 76 -10.784 5.307 3.067 1.00 0.00 C ATOM 1125 CD1 ILE A 76 -8.481 6.285 1.087 1.00 0.00 C ATOM 0 H ILE A 76 -8.751 2.832 3.377 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.416 2.800 2.181 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.663 4.852 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.172 4.886 2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.179 4.158 1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.623 6.377 2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.854 5.103 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.323 4.982 4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.417 6.498 0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.950 6.301 0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.943 7.041 1.722 1.00 0.00 H new ATOM 1137 N MET A 77 -8.916 1.484 0.714 1.00 0.00 N ATOM 1138 CA MET A 77 -8.397 0.796 -0.495 1.00 0.00 C ATOM 1139 C MET A 77 -8.533 -0.742 -0.495 1.00 0.00 C ATOM 1140 O MET A 77 -8.191 -1.388 -1.485 1.00 0.00 O ATOM 1141 CB MET A 77 -6.926 1.170 -0.683 1.00 0.00 C ATOM 1142 CG MET A 77 -6.727 2.628 -1.089 1.00 0.00 C ATOM 1143 SD MET A 77 -6.630 2.869 -2.877 1.00 0.00 S ATOM 1144 CE MET A 77 -5.940 4.534 -2.838 1.00 0.00 C ATOM 0 H MET A 77 -8.376 1.273 1.553 1.00 0.00 H new ATOM 0 HA MET A 77 -9.022 1.140 -1.319 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.387 0.981 0.246 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.487 0.524 -1.443 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.550 3.223 -0.694 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.813 3.004 -0.629 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.198 4.639 -3.629 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.737 5.262 -2.989 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.467 4.709 -1.872 1.00 0.00 H new ATOM 1154 N ASP A 78 -9.014 -1.354 0.587 1.00 0.00 N ATOM 1155 CA ASP A 78 -9.068 -2.824 0.721 1.00 0.00 C ATOM 1156 C ASP A 78 -10.277 -3.470 0.003 1.00 0.00 C ATOM 1157 O ASP A 78 -11.363 -2.891 -0.056 1.00 0.00 O ATOM 1158 CB ASP A 78 -8.991 -3.220 2.202 1.00 0.00 C ATOM 1159 CG ASP A 78 -8.847 -4.738 2.396 1.00 0.00 C ATOM 1160 OD1 ASP A 78 -8.069 -5.360 1.636 1.00 0.00 O ATOM 1161 OD2 ASP A 78 -9.514 -5.296 3.299 1.00 0.00 O ATOM 0 H ASP A 78 -9.378 -0.853 1.398 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.195 -3.226 0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.144 -2.715 2.667 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.889 -2.874 2.715 1.00 0.00 H new ATOM 1166 N MET A 79 -10.081 -4.680 -0.538 1.00 0.00 N ATOM 1167 CA MET A 79 -11.024 -5.474 -1.359 1.00 0.00 C ATOM 1168 C MET A 79 -11.526 -4.795 -2.655 1.00 0.00 C ATOM 1169 O MET A 79 -12.433 -5.298 -3.324 1.00 0.00 O ATOM 1170 CB MET A 79 -12.173 -6.043 -0.500 1.00 0.00 C ATOM 1171 CG MET A 79 -11.675 -6.957 0.624 1.00 0.00 C ATOM 1172 SD MET A 79 -10.844 -8.471 0.063 1.00 0.00 S ATOM 1173 CE MET A 79 -10.182 -9.018 1.656 1.00 0.00 C ATOM 0 H MET A 79 -9.197 -5.171 -0.408 1.00 0.00 H new ATOM 0 HA MET A 79 -10.430 -6.307 -1.734 1.00 0.00 H new ATOM 0 HB2 MET A 79 -12.740 -5.219 -0.068 1.00 0.00 H new ATOM 0 HB3 MET A 79 -12.857 -6.600 -1.139 1.00 0.00 H new ATOM 0 HG2 MET A 79 -10.986 -6.393 1.253 1.00 0.00 H new ATOM 0 HG3 MET A 79 -12.523 -7.235 1.249 1.00 0.00 H new ATOM 0 HE1 MET A 79 -9.630 -9.948 1.520 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.514 -8.254 2.054 1.00 0.00 H new ATOM 0 HE3 MET A 79 -11.003 -9.182 2.354 1.00 0.00 H new ATOM 1183 N ILE A 80 -10.937 -3.659 -3.031 1.00 0.00 N ATOM 1184 CA ILE A 80 -11.300 -2.813 -4.174 1.00 0.00 C ATOM 1185 C ILE A 80 -10.682 -3.319 -5.481 1.00 0.00 C ATOM 1186 O ILE A 80 -9.597 -3.891 -5.488 1.00 0.00 O ATOM 1187 CB ILE A 80 -10.934 -1.363 -3.796 1.00 0.00 C ATOM 1188 CG1 ILE A 80 -12.074 -0.817 -2.912 1.00 0.00 C ATOM 1189 CG2 ILE A 80 -10.643 -0.437 -4.981 1.00 0.00 C ATOM 1190 CD1 ILE A 80 -11.677 0.388 -2.066 1.00 0.00 C ATOM 0 H ILE A 80 -10.144 -3.279 -2.514 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.370 -2.853 -4.379 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.986 -1.385 -3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.914 -0.540 -3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.422 -1.612 -2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -10.396 0.559 -4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.803 -0.831 -5.553 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.523 -0.379 -5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.532 0.713 -1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.858 0.112 -1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.357 1.201 -2.718 1.00 0.00 H new ATOM 1202 N LYS A 81 -11.367 -3.119 -6.610 1.00 0.00 N ATOM 1203 CA LYS A 81 -11.029 -3.729 -7.906 1.00 0.00 C ATOM 1204 C LYS A 81 -10.270 -2.767 -8.825 1.00 0.00 C ATOM 1205 O LYS A 81 -10.798 -2.327 -9.849 1.00 0.00 O ATOM 1206 CB LYS A 81 -12.294 -4.333 -8.540 1.00 0.00 C ATOM 1207 CG LYS A 81 -12.919 -5.430 -7.660 1.00 0.00 C ATOM 1208 CD LYS A 81 -14.058 -6.187 -8.361 1.00 0.00 C ATOM 1209 CE LYS A 81 -13.519 -7.232 -9.348 1.00 0.00 C ATOM 1210 NZ LYS A 81 -14.613 -7.859 -10.136 1.00 0.00 N ATOM 0 H LYS A 81 -12.189 -2.517 -6.653 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.328 -4.547 -7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.026 -3.543 -8.708 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.045 -4.750 -9.516 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.144 -6.139 -7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.300 -4.980 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.682 -6.679 -7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.694 -5.478 -8.892 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.807 -6.760 -10.025 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.976 -8.003 -8.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.211 -8.559 -10.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.279 -8.331 -9.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.115 -7.126 -10.677 1.00 0.00 H new ATOM 1224 N LEU A 82 -9.020 -2.457 -8.475 1.00 0.00 N ATOM 1225 CA LEU A 82 -8.112 -1.658 -9.315 1.00 0.00 C ATOM 1226 C LEU A 82 -7.951 -2.340 -10.689 1.00 0.00 C ATOM 1227 O LEU A 82 -7.614 -3.525 -10.742 1.00 0.00 O ATOM 1228 CB LEU A 82 -6.765 -1.486 -8.578 1.00 0.00 C ATOM 1229 CG LEU A 82 -5.740 -0.564 -9.267 1.00 0.00 C ATOM 1230 CD1 LEU A 82 -6.291 0.838 -9.536 1.00 0.00 C ATOM 1231 CD2 LEU A 82 -4.512 -0.421 -8.365 1.00 0.00 C ATOM 0 H LEU A 82 -8.601 -2.754 -7.594 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.521 -0.664 -9.493 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.965 -1.095 -7.580 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.313 -2.470 -8.450 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.492 -1.022 -10.225 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.525 1.443 -10.022 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.164 0.768 -10.185 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.576 1.304 -8.593 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.782 0.230 -8.845 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.810 0.011 -7.410 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.068 -1.402 -8.197 1.00 0.00 H new ATOM 1243 N TYR A 83 -8.252 -1.636 -11.791 1.00 0.00 N ATOM 1244 CA TYR A 83 -8.369 -2.244 -13.135 1.00 0.00 C ATOM 1245 C TYR A 83 -9.192 -3.568 -13.231 1.00 0.00 C ATOM 1246 O TYR A 83 -8.948 -4.382 -14.126 1.00 0.00 O ATOM 1247 CB TYR A 83 -6.977 -2.383 -13.777 1.00 0.00 C ATOM 1248 CG TYR A 83 -6.174 -1.102 -13.896 1.00 0.00 C ATOM 1249 CD1 TYR A 83 -4.941 -0.984 -13.229 1.00 0.00 C ATOM 1250 CD2 TYR A 83 -6.627 -0.056 -14.724 1.00 0.00 C ATOM 1251 CE1 TYR A 83 -4.156 0.171 -13.397 1.00 0.00 C ATOM 1252 CE2 TYR A 83 -5.848 1.107 -14.885 1.00 0.00 C ATOM 1253 CZ TYR A 83 -4.606 1.222 -14.223 1.00 0.00 C ATOM 1254 OH TYR A 83 -3.839 2.334 -14.383 1.00 0.00 O ATOM 0 H TYR A 83 -8.422 -0.630 -11.781 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.977 -1.543 -13.707 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.399 -3.099 -13.194 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.098 -2.808 -14.774 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.597 -1.781 -12.587 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.573 -0.146 -15.236 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.205 0.253 -12.892 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -6.201 1.910 -15.515 1.00 0.00 H new ATOM 0 HH TYR A 83 -4.293 2.961 -14.984 1.00 0.00 H new ATOM 1264 N GLY A 84 -10.167 -3.814 -12.341 1.00 0.00 N ATOM 1265 CA GLY A 84 -11.047 -4.999 -12.385 1.00 0.00 C ATOM 1266 C GLY A 84 -10.513 -6.286 -11.720 1.00 0.00 C ATOM 1267 O GLY A 84 -11.042 -7.368 -11.984 1.00 0.00 O ATOM 0 H GLY A 84 -10.371 -3.190 -11.560 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.993 -4.738 -11.910 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.266 -5.222 -13.429 1.00 0.00 H new ATOM 1271 N LYS A 85 -9.503 -6.188 -10.847 1.00 0.00 N ATOM 1272 CA LYS A 85 -8.840 -7.262 -10.097 1.00 0.00 C ATOM 1273 C LYS A 85 -8.757 -6.829 -8.616 1.00 0.00 C ATOM 1274 O LYS A 85 -8.231 -5.748 -8.344 1.00 0.00 O ATOM 1275 CB LYS A 85 -7.447 -7.495 -10.710 1.00 0.00 C ATOM 1276 CG LYS A 85 -6.714 -8.683 -10.072 1.00 0.00 C ATOM 1277 CD LYS A 85 -5.324 -8.850 -10.701 1.00 0.00 C ATOM 1278 CE LYS A 85 -4.568 -10.004 -10.032 1.00 0.00 C ATOM 1279 NZ LYS A 85 -3.206 -10.168 -10.608 1.00 0.00 N ATOM 0 H LYS A 85 -9.094 -5.279 -10.629 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.393 -8.200 -10.151 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.550 -7.669 -11.781 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.845 -6.594 -10.589 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.618 -8.526 -8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.295 -9.595 -10.210 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.422 -9.043 -11.769 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.757 -7.925 -10.595 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.491 -9.818 -8.961 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.131 -10.929 -10.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.703 -10.923 -10.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.283 -10.420 -11.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.679 -9.276 -10.513 1.00 0.00 H new ATOM 1293 N PRO A 86 -9.315 -7.597 -7.663 1.00 0.00 N ATOM 1294 CA PRO A 86 -9.478 -7.161 -6.276 1.00 0.00 C ATOM 1295 C PRO A 86 -8.146 -7.119 -5.509 1.00 0.00 C ATOM 1296 O PRO A 86 -7.571 -8.159 -5.174 1.00 0.00 O ATOM 1297 CB PRO A 86 -10.520 -8.103 -5.661 1.00 0.00 C ATOM 1298 CG PRO A 86 -10.462 -9.354 -6.536 1.00 0.00 C ATOM 1299 CD PRO A 86 -10.059 -8.818 -7.907 1.00 0.00 C ATOM 0 HA PRO A 86 -9.826 -6.129 -6.220 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.284 -8.333 -4.622 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.514 -7.657 -5.671 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.736 -10.074 -6.158 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.425 -9.862 -6.572 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.449 -9.544 -8.445 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.938 -8.622 -8.522 1.00 0.00 H new ATOM 1307 N ILE A 87 -7.675 -5.909 -5.192 1.00 0.00 N ATOM 1308 CA ILE A 87 -6.486 -5.681 -4.365 1.00 0.00 C ATOM 1309 C ILE A 87 -6.807 -5.861 -2.875 1.00 0.00 C ATOM 1310 O ILE A 87 -7.873 -5.470 -2.395 1.00 0.00 O ATOM 1311 CB ILE A 87 -5.800 -4.322 -4.648 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -6.713 -3.087 -4.462 1.00 0.00 C ATOM 1313 CG2 ILE A 87 -5.212 -4.334 -6.068 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -5.952 -1.774 -4.259 1.00 0.00 C ATOM 0 H ILE A 87 -8.117 -5.046 -5.508 1.00 0.00 H new ATOM 0 HA ILE A 87 -5.759 -6.443 -4.647 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.015 -4.217 -3.899 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.358 -2.990 -5.336 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.363 -3.255 -3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.728 -3.378 -6.270 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.479 -5.136 -6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.011 -4.496 -6.791 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.663 -0.957 -4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.328 -1.849 -3.368 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.323 -1.580 -5.128 1.00 0.00 H new ATOM 1326 N ARG A 88 -5.870 -6.458 -2.138 1.00 0.00 N ATOM 1327 CA ARG A 88 -5.914 -6.644 -0.680 1.00 0.00 C ATOM 1328 C ARG A 88 -4.886 -5.725 -0.037 1.00 0.00 C ATOM 1329 O ARG A 88 -3.726 -5.724 -0.449 1.00 0.00 O ATOM 1330 CB ARG A 88 -5.664 -8.114 -0.306 1.00 0.00 C ATOM 1331 CG ARG A 88 -6.901 -9.020 -0.415 1.00 0.00 C ATOM 1332 CD ARG A 88 -7.541 -9.051 -1.809 1.00 0.00 C ATOM 1333 NE ARG A 88 -8.429 -10.222 -1.957 1.00 0.00 N ATOM 1334 CZ ARG A 88 -8.533 -11.024 -3.000 1.00 0.00 C ATOM 1335 NH1 ARG A 88 -7.962 -10.772 -4.143 1.00 0.00 N ATOM 1336 NH2 ARG A 88 -9.231 -12.120 -2.914 1.00 0.00 N ATOM 0 H ARG A 88 -5.022 -6.843 -2.554 1.00 0.00 H new ATOM 0 HA ARG A 88 -6.906 -6.386 -0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.881 -8.511 -0.951 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.287 -8.156 0.716 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.619 -10.035 -0.135 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.646 -8.686 0.307 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -8.110 -8.136 -1.973 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -6.762 -9.082 -2.570 1.00 0.00 H new ATOM 0 HE ARG A 88 -9.031 -10.435 -1.162 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.406 -9.925 -4.260 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.071 -11.422 -4.922 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.698 -12.360 -2.040 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.310 -12.739 -3.721 1.00 0.00 H new ATOM 1350 N VAL A 89 -5.308 -4.942 0.952 1.00 0.00 N ATOM 1351 CA VAL A 89 -4.504 -3.872 1.568 1.00 0.00 C ATOM 1352 C VAL A 89 -4.420 -4.054 3.084 1.00 0.00 C ATOM 1353 O VAL A 89 -5.412 -4.400 3.725 1.00 0.00 O ATOM 1354 CB VAL A 89 -5.033 -2.475 1.186 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -4.076 -1.364 1.637 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -5.180 -2.330 -0.332 1.00 0.00 C ATOM 0 H VAL A 89 -6.238 -5.030 1.362 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.491 -3.946 1.173 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.998 -2.378 1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.483 -0.394 1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.959 -1.402 2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.105 -1.505 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.555 -1.334 -0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.210 -2.474 -0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.880 -3.078 -0.703 1.00 0.00 H new ATOM 1366 N ASN A 90 -3.227 -3.853 3.657 1.00 0.00 N ATOM 1367 CA ASN A 90 -2.933 -4.030 5.089 1.00 0.00 C ATOM 1368 C ASN A 90 -1.611 -3.325 5.474 1.00 0.00 C ATOM 1369 O ASN A 90 -0.934 -2.762 4.614 1.00 0.00 O ATOM 1370 CB ASN A 90 -2.877 -5.547 5.357 1.00 0.00 C ATOM 1371 CG ASN A 90 -3.239 -5.960 6.773 1.00 0.00 C ATOM 1372 OD1 ASN A 90 -2.988 -5.271 7.751 1.00 0.00 O ATOM 1373 ND2 ASN A 90 -3.829 -7.120 6.916 1.00 0.00 N ATOM 0 H ASN A 90 -2.412 -3.553 3.122 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.707 -3.573 5.705 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.552 -6.049 4.664 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.871 -5.903 5.136 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.081 -7.453 7.847 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.036 -7.691 6.097 1.00 0.00 H new ATOM 1380 N LYS A 91 -1.215 -3.349 6.750 1.00 0.00 N ATOM 1381 CA LYS A 91 0.071 -2.810 7.232 1.00 0.00 C ATOM 1382 C LYS A 91 1.231 -3.681 6.729 1.00 0.00 C ATOM 1383 O LYS A 91 1.140 -4.908 6.780 1.00 0.00 O ATOM 1384 CB LYS A 91 0.091 -2.771 8.775 1.00 0.00 C ATOM 1385 CG LYS A 91 -1.067 -2.017 9.453 1.00 0.00 C ATOM 1386 CD LYS A 91 -0.950 -0.485 9.400 1.00 0.00 C ATOM 1387 CE LYS A 91 0.029 -0.002 10.474 1.00 0.00 C ATOM 1388 NZ LYS A 91 0.058 1.470 10.628 1.00 0.00 N ATOM 0 H LYS A 91 -1.786 -3.750 7.494 1.00 0.00 H new ATOM 0 HA LYS A 91 0.186 -1.797 6.847 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.093 -3.797 9.143 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.029 -2.316 9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.003 -2.314 8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.125 -2.328 10.496 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.607 -0.171 8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.928 -0.031 9.556 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.240 -0.454 11.429 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.031 -0.353 10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.503 1.715 11.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.605 1.890 9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.914 1.840 10.607 1.00 0.00 H new ATOM 1402 N ALA A 92 2.358 -3.083 6.339 1.00 0.00 N ATOM 1403 CA ALA A 92 3.584 -3.843 6.053 1.00 0.00 C ATOM 1404 C ALA A 92 4.260 -4.384 7.340 1.00 0.00 C ATOM 1405 O ALA A 92 5.151 -5.232 7.269 1.00 0.00 O ATOM 1406 CB ALA A 92 4.523 -2.976 5.206 1.00 0.00 C ATOM 0 H ALA A 92 2.451 -2.075 6.213 1.00 0.00 H new ATOM 0 HA ALA A 92 3.324 -4.733 5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.435 -3.532 4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.029 -2.711 4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.773 -2.068 5.754 1.00 0.00 H new ATOM 1412 N SER A 93 3.817 -3.929 8.520 1.00 0.00 N ATOM 1413 CA SER A 93 4.170 -4.444 9.855 1.00 0.00 C ATOM 1414 C SER A 93 3.273 -5.599 10.352 1.00 0.00 C ATOM 1415 O SER A 93 3.509 -6.127 11.442 1.00 0.00 O ATOM 1416 CB SER A 93 4.136 -3.285 10.862 1.00 0.00 C ATOM 1417 OG SER A 93 2.854 -2.684 10.863 1.00 0.00 O ATOM 0 H SER A 93 3.165 -3.147 8.574 1.00 0.00 H new ATOM 0 HA SER A 93 5.171 -4.867 9.770 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.376 -3.652 11.860 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.894 -2.545 10.604 1.00 0.00 H new ATOM 0 HG SER A 93 2.839 -1.947 11.509 1.00 0.00 H new ATOM 1423 N ALA A 94 2.253 -6.011 9.585 1.00 0.00 N ATOM 1424 CA ALA A 94 1.310 -7.064 9.978 1.00 0.00 C ATOM 1425 C ALA A 94 1.977 -8.452 10.122 1.00 0.00 C ATOM 1426 O ALA A 94 2.954 -8.767 9.437 1.00 0.00 O ATOM 1427 CB ALA A 94 0.146 -7.090 8.979 1.00 0.00 C ATOM 0 H ALA A 94 2.059 -5.617 8.664 1.00 0.00 H new ATOM 0 HA ALA A 94 0.931 -6.827 10.972 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.560 -7.870 9.263 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.359 -6.124 8.984 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.529 -7.294 7.979 1.00 0.00 H new ATOM 1433 N HIS A 95 1.440 -9.289 11.018 1.00 0.00 N ATOM 1434 CA HIS A 95 2.032 -10.574 11.442 1.00 0.00 C ATOM 1435 C HIS A 95 0.970 -11.603 11.872 1.00 0.00 C ATOM 1436 O HIS A 95 -0.220 -11.299 11.932 1.00 0.00 O ATOM 1437 CB HIS A 95 3.006 -10.318 12.609 1.00 0.00 C ATOM 1438 CG HIS A 95 2.300 -9.872 13.866 1.00 0.00 C ATOM 1439 ND1 HIS A 95 1.851 -10.702 14.901 1.00 0.00 N ATOM 1440 CD2 HIS A 95 1.856 -8.605 14.083 1.00 0.00 C ATOM 1441 CE1 HIS A 95 1.138 -9.902 15.716 1.00 0.00 C ATOM 1442 NE2 HIS A 95 1.133 -8.639 15.253 1.00 0.00 N ATOM 0 H HIS A 95 0.555 -9.089 11.485 1.00 0.00 H new ATOM 0 HA HIS A 95 2.557 -10.995 10.584 1.00 0.00 H new ATOM 0 HB2 HIS A 95 3.567 -11.229 12.816 1.00 0.00 H new ATOM 0 HB3 HIS A 95 3.729 -9.558 12.314 1.00 0.00 H new ATOM 0 HD2 HIS A 95 2.036 -7.742 13.459 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.639 -10.229 16.616 1.00 0.00 H new ATOM 0 HE2 HIS A 95 0.672 -7.843 15.694 1.00 0.00 H new ATOM 1450 N ASN A 96 1.395 -12.826 12.199 1.00 0.00 N ATOM 1451 CA ASN A 96 0.559 -13.837 12.862 1.00 0.00 C ATOM 1452 C ASN A 96 1.352 -14.552 13.984 1.00 0.00 C ATOM 1453 O ASN A 96 1.245 -15.767 14.176 1.00 0.00 O ATOM 1454 CB ASN A 96 -0.070 -14.764 11.799 1.00 0.00 C ATOM 1455 CG ASN A 96 -1.362 -15.415 12.278 1.00 0.00 C ATOM 1456 OD1 ASN A 96 -2.458 -15.026 11.901 1.00 0.00 O ATOM 1457 ND2 ASN A 96 -1.288 -16.408 13.133 1.00 0.00 N ATOM 0 H ASN A 96 2.344 -13.149 12.009 1.00 0.00 H new ATOM 0 HA ASN A 96 -0.280 -13.371 13.379 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.271 -14.190 10.895 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.646 -15.541 11.531 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -2.141 -16.849 13.478 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -0.378 -16.739 13.453 1.00 0.00 H new ATOM 1464 N LYS A 97 2.205 -13.797 14.693 1.00 0.00 N ATOM 1465 CA LYS A 97 3.138 -14.304 15.718 1.00 0.00 C ATOM 1466 C LYS A 97 2.543 -14.259 17.132 1.00 0.00 C ATOM 1467 O LYS A 97 2.689 -15.221 17.886 1.00 0.00 O ATOM 1468 CB LYS A 97 4.456 -13.515 15.611 1.00 0.00 C ATOM 1469 CG LYS A 97 5.564 -14.106 16.495 1.00 0.00 C ATOM 1470 CD LYS A 97 6.884 -13.346 16.312 1.00 0.00 C ATOM 1471 CE LYS A 97 7.968 -13.962 17.207 1.00 0.00 C ATOM 1472 NZ LYS A 97 9.270 -13.261 17.052 1.00 0.00 N ATOM 0 H LYS A 97 2.269 -12.787 14.567 1.00 0.00 H new ATOM 0 HA LYS A 97 3.334 -15.360 15.530 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.788 -13.507 14.573 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.280 -12.478 15.898 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.259 -14.065 17.541 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.709 -15.157 16.247 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.195 -13.386 15.268 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.746 -12.294 16.563 1.00 0.00 H new ATOM 0 HE2 LYS A 97 7.651 -13.915 18.249 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.090 -15.016 16.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.979 -13.704 17.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.585 -13.328 16.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.159 -12.260 17.313 1.00 0.00 H new ATOM 1486 N ASN A 98 1.847 -13.169 17.467 1.00 0.00 N ATOM 1487 CA ASN A 98 1.209 -12.944 18.770 1.00 0.00 C ATOM 1488 C ASN A 98 -0.328 -12.942 18.647 1.00 0.00 C ATOM 1489 O ASN A 98 -0.878 -12.408 17.679 1.00 0.00 O ATOM 1490 CB ASN A 98 1.733 -11.628 19.385 1.00 0.00 C ATOM 1491 CG ASN A 98 3.209 -11.639 19.763 1.00 0.00 C ATOM 1492 OD1 ASN A 98 3.891 -12.655 19.775 1.00 0.00 O ATOM 1493 ND2 ASN A 98 3.755 -10.494 20.105 1.00 0.00 N ATOM 0 H ASN A 98 1.707 -12.394 16.819 1.00 0.00 H new ATOM 0 HA ASN A 98 1.470 -13.765 19.437 1.00 0.00 H new ATOM 0 HB2 ASN A 98 1.561 -10.819 18.675 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.147 -11.401 20.275 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.738 -10.458 20.377 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.196 -9.641 20.099 1.00 0.00 H new ATOM 1500 N LEU A 99 -1.014 -13.516 19.642 1.00 0.00 N ATOM 1501 CA LEU A 99 -2.485 -13.571 19.733 1.00 0.00 C ATOM 1502 C LEU A 99 -2.977 -13.657 21.191 1.00 0.00 C ATOM 1503 O LEU A 99 -3.891 -12.930 21.584 1.00 0.00 O ATOM 1504 CB LEU A 99 -2.978 -14.777 18.904 1.00 0.00 C ATOM 1505 CG LEU A 99 -4.509 -14.966 18.866 1.00 0.00 C ATOM 1506 CD1 LEU A 99 -5.233 -13.774 18.236 1.00 0.00 C ATOM 1507 CD2 LEU A 99 -4.850 -16.213 18.050 1.00 0.00 C ATOM 0 H LEU A 99 -0.552 -13.969 20.430 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.900 -12.647 19.331 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.616 -14.667 17.882 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.526 -15.683 19.307 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.841 -15.062 19.900 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.307 -13.960 18.235 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.021 -12.874 18.813 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.887 -13.638 17.211 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.932 -16.346 18.024 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.474 -16.097 17.034 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.388 -17.087 18.510 1.00 0.00 H new ATOM 1519 N SER A 100 -2.362 -14.529 21.998 1.00 0.00 N ATOM 1520 CA SER A 100 -2.693 -14.745 23.417 1.00 0.00 C ATOM 1521 C SER A 100 -2.294 -13.565 24.321 1.00 0.00 C ATOM 1522 O SER A 100 -1.415 -12.767 23.978 1.00 0.00 O ATOM 1523 CB SER A 100 -2.021 -16.029 23.924 1.00 0.00 C ATOM 1524 OG SER A 100 -2.379 -17.137 23.109 1.00 0.00 O ATOM 0 H SER A 100 -1.598 -15.123 21.676 1.00 0.00 H new ATOM 0 HA SER A 100 -3.778 -14.836 23.471 1.00 0.00 H new ATOM 0 HB2 SER A 100 -0.938 -15.904 23.922 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.318 -16.218 24.955 1.00 0.00 H new ATOM 0 HG SER A 100 -1.940 -17.946 23.446 1.00 0.00 H new ATOM 1530 N GLY A 101 -2.914 -13.473 25.502 1.00 0.00 N ATOM 1531 CA GLY A 101 -2.638 -12.446 26.517 1.00 0.00 C ATOM 1532 C GLY A 101 -3.120 -12.827 27.930 1.00 0.00 C ATOM 1533 O GLY A 101 -3.758 -13.874 28.100 1.00 0.00 O ATOM 0 H GLY A 101 -3.642 -14.128 25.788 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.565 -12.257 26.547 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.118 -11.514 26.218 1.00 0.00 H new ATOM 1537 N PRO A 102 -2.808 -12.007 28.952 1.00 0.00 N ATOM 1538 CA PRO A 102 -3.141 -12.277 30.354 1.00 0.00 C ATOM 1539 C PRO A 102 -4.636 -12.089 30.676 1.00 0.00 C ATOM 1540 O PRO A 102 -5.361 -11.381 29.968 1.00 0.00 O ATOM 1541 CB PRO A 102 -2.259 -11.317 31.160 1.00 0.00 C ATOM 1542 CG PRO A 102 -2.109 -10.116 30.226 1.00 0.00 C ATOM 1543 CD PRO A 102 -2.047 -10.768 28.845 1.00 0.00 C ATOM 0 HA PRO A 102 -2.953 -13.322 30.602 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -2.726 -11.037 32.104 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.294 -11.763 31.401 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.951 -9.429 30.312 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -1.207 -9.544 30.444 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.472 -10.113 28.085 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.016 -10.967 28.553 1.00 0.00 H new ATOM 1551 N SER A 103 -5.070 -12.677 31.800 1.00 0.00 N ATOM 1552 CA SER A 103 -6.452 -12.688 32.319 1.00 0.00 C ATOM 1553 C SER A 103 -7.497 -13.371 31.410 1.00 0.00 C ATOM 1554 O SER A 103 -7.235 -13.733 30.259 1.00 0.00 O ATOM 1555 CB SER A 103 -6.872 -11.268 32.743 1.00 0.00 C ATOM 1556 OG SER A 103 -8.012 -11.304 33.590 1.00 0.00 O ATOM 0 H SER A 103 -4.431 -13.188 32.409 1.00 0.00 H new ATOM 0 HA SER A 103 -6.435 -13.332 33.198 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.046 -10.780 33.260 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.091 -10.671 31.858 1.00 0.00 H new ATOM 0 HG SER A 103 -8.258 -10.391 33.847 1.00 0.00 H new ATOM 1562 N SER A 104 -8.696 -13.582 31.960 1.00 0.00 N ATOM 1563 CA SER A 104 -9.863 -14.214 31.319 1.00 0.00 C ATOM 1564 C SER A 104 -11.162 -13.391 31.444 1.00 0.00 C ATOM 1565 O SER A 104 -12.208 -13.808 30.933 1.00 0.00 O ATOM 1566 CB SER A 104 -10.057 -15.626 31.889 1.00 0.00 C ATOM 1567 OG SER A 104 -10.273 -15.583 33.295 1.00 0.00 O ATOM 0 H SER A 104 -8.894 -13.302 32.920 1.00 0.00 H new ATOM 0 HA SER A 104 -9.651 -14.265 30.251 1.00 0.00 H new ATOM 0 HB2 SER A 104 -10.906 -16.105 31.402 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.179 -16.234 31.671 1.00 0.00 H new ATOM 0 HG SER A 104 -10.396 -16.494 33.635 1.00 0.00 H new ATOM 1573 N GLY A 105 -11.111 -12.221 32.103 1.00 0.00 N ATOM 1574 CA GLY A 105 -12.241 -11.294 32.295 1.00 0.00 C ATOM 1575 C GLY A 105 -12.699 -10.601 31.006 1.00 0.00 C ATOM 1576 O GLY A 105 -11.841 -10.026 30.298 1.00 0.00 O ATOM 1577 OXT GLY A 105 -13.918 -10.612 30.729 1.00 0.00 O ATOM 0 H GLY A 105 -10.250 -11.882 32.533 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.081 -11.843 32.719 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -11.956 -10.535 33.023 1.00 0.00 H new TER 1581 GLY A 105