USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 617 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 54 SER OG : rot -44:sc= 2.22 USER MOD Set 1.2: A 55 LYS NZ :NH3+ -163:sc= 0.338 (180deg=-1.81) USER MOD Set 2.1: A 46 ASN : amide:sc= 1.96 K(o=2.4,f=-2.3!) USER MOD Set 2.2: A 49 ASN : amide:sc= 0.478 K(o=2.4,f=-4.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= 3.03 (180deg=-0.314!) USER MOD Single : A 2 ASN : amide:sc= -0.0931 X(o=-0.093,f=-0.093) USER MOD Single : A 3 THR OG1 : rot 22:sc= 0.981 USER MOD Single : A 4 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.1) USER MOD Single : A 6 MET CE :methyl -173:sc= 0 (180deg=-0.0688) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 148:sc= 2.37 (180deg=-0.178) USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 1.29 (180deg=1.2) USER MOD Single : A 21 GLN : amide:sc= -0.532 K(o=-0.53,f=-2.9) USER MOD Single : A 26 LYS NZ :NH3+ 179:sc= 0.378 (180deg=0.335) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 43:sc= 0.237 USER MOD Single : A 32 ASN : amide:sc= -0.0872 K(o=-0.087,f=-3.8!) USER MOD Single : A 36 SER OG : rot 130:sc= 1.28 USER MOD Single : A 37 GLN : amide:sc= 1.15 K(o=1.2,f=-0.13) USER MOD Single : A 41 SER OG : rot -86:sc= 0.669 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 59 CYS SG : rot 67:sc= 1.24 USER MOD Single : A 60 SER OG : rot 112:sc= 1.38 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 155:sc= 2.33 (180deg=1.34) USER MOD Single : A 70 SER OG : rot -103:sc= 2.11 USER MOD Single : A 71 GLN : amide:sc= 0.63 K(o=0.63,f=-0.79) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0124 USER MOD Single : A 73 ASN : amide:sc= 1.15 K(o=1.2,f=-9.8!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.105 -3.922 7.712 1.00 12.04 N ATOM 2 CA MET A 1 9.516 -3.589 9.086 1.00 11.38 C ATOM 3 C MET A 1 11.040 -3.635 9.101 1.00 10.28 C ATOM 4 O MET A 1 11.692 -2.618 8.877 1.00 9.40 O ATOM 5 CB MET A 1 8.881 -4.530 10.125 1.00 12.93 C ATOM 6 CG MET A 1 7.361 -4.335 10.223 1.00 14.06 C ATOM 7 SD MET A 1 6.494 -5.531 11.271 1.00 15.81 S ATOM 8 CE MET A 1 6.979 -4.968 12.916 1.00 16.45 C ATOM 0 H1 MET A 1 8.267 -4.538 7.740 1.00 12.04 H new ATOM 0 H2 MET A 1 8.875 -3.048 7.197 1.00 12.04 H new ATOM 0 H3 MET A 1 9.882 -4.416 7.227 1.00 12.04 H new ATOM 0 HA MET A 1 9.164 -2.597 9.370 1.00 11.38 H new ATOM 0 HB2 MET A 1 9.098 -5.564 9.858 1.00 12.93 H new ATOM 0 HB3 MET A 1 9.333 -4.351 11.101 1.00 12.93 H new ATOM 0 HG2 MET A 1 7.164 -3.333 10.604 1.00 14.06 H new ATOM 0 HG3 MET A 1 6.939 -4.384 9.219 1.00 14.06 H new ATOM 0 HE1 MET A 1 6.521 -5.609 13.670 1.00 16.45 H new ATOM 0 HE2 MET A 1 8.064 -5.014 13.011 1.00 16.45 H new ATOM 0 HE3 MET A 1 6.645 -3.941 13.062 1.00 16.45 H new ATOM 17 N ASN A 2 11.596 -4.850 9.163 1.00 10.82 N ATOM 18 CA ASN A 2 12.803 -5.133 8.396 1.00 10.46 C ATOM 19 C ASN A 2 12.474 -4.869 6.922 1.00 9.62 C ATOM 20 O ASN A 2 11.298 -4.914 6.547 1.00 9.98 O ATOM 21 CB ASN A 2 13.242 -6.585 8.614 1.00 12.05 C ATOM 22 CG ASN A 2 14.472 -6.915 7.774 1.00 12.67 C ATOM 23 OD1 ASN A 2 14.406 -7.706 6.843 1.00 13.34 O ATOM 24 ND2 ASN A 2 15.604 -6.283 8.072 1.00 12.80 N ATOM 0 H ASN A 2 11.240 -5.628 9.719 1.00 10.82 H new ATOM 0 HA ASN A 2 13.629 -4.498 8.716 1.00 10.46 H new ATOM 0 HB2 ASN A 2 13.463 -6.748 9.669 1.00 12.05 H new ATOM 0 HB3 ASN A 2 12.426 -7.259 8.352 1.00 12.05 H new ATOM 0 HD21 ASN A 2 16.444 -6.453 7.519 1.00 12.80 H new ATOM 0 HD22 ASN A 2 15.632 -5.628 8.854 1.00 12.80 H new ATOM 31 N THR A 3 13.467 -4.514 6.105 1.00 8.86 N ATOM 32 CA THR A 3 13.234 -3.960 4.773 1.00 8.17 C ATOM 33 C THR A 3 12.205 -2.817 4.829 1.00 6.73 C ATOM 34 O THR A 3 11.237 -2.790 4.073 1.00 6.81 O ATOM 35 CB THR A 3 12.916 -5.058 3.737 1.00 9.52 C ATOM 36 OG1 THR A 3 11.912 -5.953 4.169 1.00 10.74 O ATOM 37 CG2 THR A 3 14.167 -5.890 3.441 1.00 10.34 C ATOM 0 H THR A 3 14.453 -4.603 6.349 1.00 8.86 H new ATOM 0 HA THR A 3 14.160 -3.509 4.415 1.00 8.17 H new ATOM 0 HB THR A 3 12.563 -4.532 2.850 1.00 9.52 H new ATOM 0 HG1 THR A 3 11.376 -5.529 4.871 1.00 10.74 H new ATOM 0 HG21 THR A 3 13.927 -6.660 2.708 1.00 10.34 H new ATOM 0 HG22 THR A 3 14.949 -5.243 3.044 1.00 10.34 H new ATOM 0 HG23 THR A 3 14.517 -6.360 4.360 1.00 10.34 H new ATOM 45 N GLN A 4 12.471 -1.860 5.726 1.00 5.82 N ATOM 46 CA GLN A 4 11.802 -0.571 5.859 1.00 4.44 C ATOM 47 C GLN A 4 10.383 -0.657 6.434 1.00 3.64 C ATOM 48 O GLN A 4 9.691 -1.679 6.371 1.00 4.49 O ATOM 49 CB GLN A 4 11.821 0.233 4.543 1.00 4.61 C ATOM 50 CG GLN A 4 13.232 0.632 4.082 1.00 5.45 C ATOM 51 CD GLN A 4 14.072 -0.544 3.592 1.00 7.27 C ATOM 52 OE1 GLN A 4 15.056 -0.917 4.219 1.00 7.90 O ATOM 53 NE2 GLN A 4 13.686 -1.155 2.475 1.00 8.53 N ATOM 0 H GLN A 4 13.208 -1.978 6.421 1.00 5.82 H new ATOM 0 HA GLN A 4 12.391 -0.028 6.598 1.00 4.44 H new ATOM 0 HB2 GLN A 4 11.346 -0.358 3.760 1.00 4.61 H new ATOM 0 HB3 GLN A 4 11.221 1.134 4.670 1.00 4.61 H new ATOM 0 HG2 GLN A 4 13.149 1.367 3.281 1.00 5.45 H new ATOM 0 HG3 GLN A 4 13.751 1.118 4.908 1.00 5.45 H new ATOM 0 HE21 GLN A 4 12.863 -0.825 1.971 1.00 8.53 H new ATOM 0 HE22 GLN A 4 14.213 -1.954 2.122 1.00 8.53 H new ATOM 62 N LEU A 5 9.925 0.476 6.974 1.00 2.51 N ATOM 63 CA LEU A 5 8.527 0.711 7.297 1.00 2.08 C ATOM 64 C LEU A 5 7.810 0.967 5.970 1.00 1.70 C ATOM 65 O LEU A 5 7.463 2.101 5.657 1.00 1.96 O ATOM 66 CB LEU A 5 8.429 1.898 8.272 1.00 2.11 C ATOM 67 CG LEU A 5 7.111 1.959 9.064 1.00 2.67 C ATOM 68 CD1 LEU A 5 7.172 3.157 10.019 1.00 3.47 C ATOM 69 CD2 LEU A 5 5.846 2.082 8.206 1.00 4.61 C ATOM 0 H LEU A 5 10.531 1.265 7.200 1.00 2.51 H new ATOM 0 HA LEU A 5 8.058 -0.138 7.795 1.00 2.08 H new ATOM 0 HB2 LEU A 5 9.260 1.845 8.975 1.00 2.11 H new ATOM 0 HB3 LEU A 5 8.545 2.825 7.711 1.00 2.11 H new ATOM 0 HG LEU A 5 7.028 1.006 9.587 1.00 2.67 H new ATOM 0 HD11 LEU A 5 6.245 3.215 10.589 1.00 3.47 H new ATOM 0 HD12 LEU A 5 8.012 3.034 10.703 1.00 3.47 H new ATOM 0 HD13 LEU A 5 7.303 4.074 9.444 1.00 3.47 H new ATOM 0 HD21 LEU A 5 4.970 2.118 8.853 1.00 4.61 H new ATOM 0 HD22 LEU A 5 5.896 2.995 7.612 1.00 4.61 H new ATOM 0 HD23 LEU A 5 5.772 1.221 7.542 1.00 4.61 H new ATOM 81 N MET A 6 7.623 -0.097 5.182 1.00 1.32 N ATOM 82 CA MET A 6 7.130 -0.068 3.806 1.00 1.12 C ATOM 83 C MET A 6 5.918 0.857 3.619 1.00 0.90 C ATOM 84 O MET A 6 5.769 1.482 2.569 1.00 0.90 O ATOM 85 CB MET A 6 6.837 -1.510 3.370 1.00 1.41 C ATOM 86 CG MET A 6 6.638 -1.622 1.854 1.00 1.83 C ATOM 87 SD MET A 6 6.279 -3.283 1.230 1.00 2.13 S ATOM 88 CE MET A 6 7.787 -4.191 1.635 1.00 2.09 C ATOM 0 H MET A 6 7.821 -1.044 5.504 1.00 1.32 H new ATOM 0 HA MET A 6 7.900 0.360 3.164 1.00 1.12 H new ATOM 0 HB2 MET A 6 7.660 -2.156 3.676 1.00 1.41 H new ATOM 0 HB3 MET A 6 5.943 -1.869 3.881 1.00 1.41 H new ATOM 0 HG2 MET A 6 5.822 -0.960 1.563 1.00 1.83 H new ATOM 0 HG3 MET A 6 7.537 -1.255 1.360 1.00 1.83 H new ATOM 0 HE1 MET A 6 7.742 -5.187 1.194 1.00 2.09 H new ATOM 0 HE2 MET A 6 8.651 -3.657 1.238 1.00 2.09 H new ATOM 0 HE3 MET A 6 7.880 -4.278 2.718 1.00 2.09 H new ATOM 98 N GLY A 7 5.081 0.969 4.656 1.00 1.03 N ATOM 99 CA GLY A 7 4.040 1.977 4.807 1.00 1.10 C ATOM 100 C GLY A 7 4.380 3.333 4.184 1.00 0.94 C ATOM 101 O GLY A 7 3.521 3.936 3.548 1.00 0.94 O ATOM 0 H GLY A 7 5.117 0.326 5.447 1.00 1.03 H new ATOM 0 HA2 GLY A 7 3.121 1.603 4.356 1.00 1.10 H new ATOM 0 HA3 GLY A 7 3.839 2.119 5.869 1.00 1.10 H new ATOM 105 N GLU A 8 5.614 3.824 4.353 1.00 0.92 N ATOM 106 CA GLU A 8 6.082 5.076 3.764 1.00 0.99 C ATOM 107 C GLU A 8 5.756 5.184 2.272 1.00 0.81 C ATOM 108 O GLU A 8 5.280 6.219 1.805 1.00 0.79 O ATOM 109 CB GLU A 8 7.584 5.264 4.058 1.00 1.46 C ATOM 110 CG GLU A 8 8.509 4.115 3.593 1.00 3.19 C ATOM 111 CD GLU A 8 9.265 4.363 2.291 1.00 4.80 C ATOM 112 OE1 GLU A 8 8.866 5.276 1.540 1.00 5.35 O ATOM 113 OE2 GLU A 8 10.214 3.585 2.031 1.00 6.10 O ATOM 0 H GLU A 8 6.324 3.352 4.913 1.00 0.92 H new ATOM 0 HA GLU A 8 5.538 5.896 4.233 1.00 0.99 H new ATOM 0 HB2 GLU A 8 7.915 6.187 3.583 1.00 1.46 H new ATOM 0 HB3 GLU A 8 7.711 5.395 5.133 1.00 1.46 H new ATOM 0 HG2 GLU A 8 9.235 3.915 4.381 1.00 3.19 H new ATOM 0 HG3 GLU A 8 7.908 3.213 3.477 1.00 3.19 H new ATOM 120 N ARG A 9 5.948 4.094 1.537 1.00 0.94 N ATOM 121 CA ARG A 9 5.744 4.059 0.101 1.00 1.05 C ATOM 122 C ARG A 9 4.265 4.166 -0.215 1.00 0.93 C ATOM 123 O ARG A 9 3.860 4.921 -1.102 1.00 1.03 O ATOM 124 CB ARG A 9 6.295 2.746 -0.444 1.00 1.49 C ATOM 125 CG ARG A 9 7.778 2.685 -0.113 1.00 1.18 C ATOM 126 CD ARG A 9 8.452 1.513 -0.807 1.00 1.52 C ATOM 127 NE ARG A 9 9.895 1.587 -0.591 1.00 1.99 N ATOM 128 CZ ARG A 9 10.609 2.616 -1.062 1.00 3.48 C ATOM 129 NH1 ARG A 9 10.431 2.953 -2.336 1.00 4.82 N ATOM 130 NH2 ARG A 9 11.436 3.297 -0.271 1.00 4.61 N ATOM 0 H ARG A 9 6.253 3.203 1.929 1.00 0.94 H new ATOM 0 HA ARG A 9 6.262 4.898 -0.363 1.00 1.05 H new ATOM 0 HB2 ARG A 9 5.771 1.899 -0.001 1.00 1.49 H new ATOM 0 HB3 ARG A 9 6.142 2.687 -1.522 1.00 1.49 H new ATOM 0 HG2 ARG A 9 8.259 3.615 -0.416 1.00 1.18 H new ATOM 0 HG3 ARG A 9 7.909 2.596 0.965 1.00 1.18 H new ATOM 0 HD2 ARG A 9 8.062 0.572 -0.418 1.00 1.52 H new ATOM 0 HD3 ARG A 9 8.231 1.532 -1.874 1.00 1.52 H new ATOM 0 HE ARG A 9 10.365 0.844 -0.074 1.00 1.99 H new ATOM 0 HH11 ARG A 9 9.770 2.433 -2.914 1.00 4.82 H new ATOM 0 HH12 ARG A 9 10.955 3.731 -2.736 1.00 4.82 H new ATOM 0 HH21 ARG A 9 11.533 3.037 0.711 1.00 4.61 H new ATOM 0 HH22 ARG A 9 11.973 4.079 -0.647 1.00 4.61 H new ATOM 144 N ILE A 10 3.468 3.394 0.526 1.00 0.85 N ATOM 145 CA ILE A 10 2.026 3.418 0.399 1.00 0.87 C ATOM 146 C ILE A 10 1.571 4.851 0.644 1.00 0.81 C ATOM 147 O ILE A 10 0.863 5.417 -0.177 1.00 0.92 O ATOM 148 CB ILE A 10 1.349 2.429 1.369 1.00 0.93 C ATOM 149 CG1 ILE A 10 2.002 1.034 1.315 1.00 0.88 C ATOM 150 CG2 ILE A 10 -0.144 2.336 1.019 1.00 1.08 C ATOM 151 CD1 ILE A 10 1.346 0.061 2.296 1.00 1.51 C ATOM 0 H ILE A 10 3.812 2.738 1.228 1.00 0.85 H new ATOM 0 HA ILE A 10 1.732 3.096 -0.600 1.00 0.87 H new ATOM 0 HB ILE A 10 1.473 2.799 2.387 1.00 0.93 H new ATOM 0 HG12 ILE A 10 1.926 0.636 0.303 1.00 0.88 H new ATOM 0 HG13 ILE A 10 3.064 1.121 1.545 1.00 0.88 H new ATOM 0 HG21 ILE A 10 -0.634 1.639 1.699 1.00 1.08 H new ATOM 0 HG22 ILE A 10 -0.602 3.320 1.116 1.00 1.08 H new ATOM 0 HG23 ILE A 10 -0.256 1.983 -0.006 1.00 1.08 H new ATOM 0 HD11 ILE A 10 1.835 -0.911 2.227 1.00 1.51 H new ATOM 0 HD12 ILE A 10 1.445 0.446 3.311 1.00 1.51 H new ATOM 0 HD13 ILE A 10 0.290 -0.046 2.050 1.00 1.51 H new ATOM 163 N ARG A 11 2.006 5.446 1.755 1.00 0.72 N ATOM 164 CA ARG A 11 1.660 6.799 2.144 1.00 0.78 C ATOM 165 C ARG A 11 1.997 7.775 1.014 1.00 0.77 C ATOM 166 O ARG A 11 1.124 8.496 0.532 1.00 0.83 O ATOM 167 CB ARG A 11 2.388 7.109 3.462 1.00 0.89 C ATOM 168 CG ARG A 11 1.910 8.394 4.143 1.00 1.17 C ATOM 169 CD ARG A 11 2.616 8.569 5.496 1.00 1.67 C ATOM 170 NE ARG A 11 2.221 7.518 6.454 1.00 2.27 N ATOM 171 CZ ARG A 11 2.998 6.648 7.123 1.00 3.03 C ATOM 172 NH1 ARG A 11 4.307 6.533 6.874 1.00 3.51 N ATOM 173 NH2 ARG A 11 2.421 5.890 8.053 1.00 4.10 N ATOM 0 H ARG A 11 2.624 4.982 2.421 1.00 0.72 H new ATOM 0 HA ARG A 11 0.589 6.907 2.315 1.00 0.78 H new ATOM 0 HB2 ARG A 11 2.251 6.273 4.148 1.00 0.89 H new ATOM 0 HB3 ARG A 11 3.457 7.189 3.266 1.00 0.89 H new ATOM 0 HG2 ARG A 11 2.116 9.252 3.503 1.00 1.17 H new ATOM 0 HG3 ARG A 11 0.831 8.357 4.289 1.00 1.17 H new ATOM 0 HD2 ARG A 11 3.696 8.542 5.350 1.00 1.67 H new ATOM 0 HD3 ARG A 11 2.375 9.548 5.909 1.00 1.67 H new ATOM 0 HE ARG A 11 1.220 7.441 6.633 1.00 2.27 H new ATOM 0 HH11 ARG A 11 4.743 7.115 6.159 1.00 3.51 H new ATOM 0 HH12 ARG A 11 4.869 5.863 7.399 1.00 3.51 H new ATOM 0 HH21 ARG A 11 1.422 5.981 8.237 1.00 4.10 H new ATOM 0 HH22 ARG A 11 2.978 5.218 8.581 1.00 4.10 H new ATOM 187 N ALA A 12 3.255 7.777 0.569 1.00 0.73 N ATOM 188 CA ALA A 12 3.742 8.671 -0.470 1.00 0.79 C ATOM 189 C ALA A 12 2.944 8.529 -1.770 1.00 0.75 C ATOM 190 O ALA A 12 2.534 9.523 -2.373 1.00 0.84 O ATOM 191 CB ALA A 12 5.231 8.402 -0.706 1.00 0.85 C ATOM 0 H ALA A 12 3.971 7.146 0.929 1.00 0.73 H new ATOM 0 HA ALA A 12 3.606 9.699 -0.134 1.00 0.79 H new ATOM 0 HB1 ALA A 12 5.602 9.069 -1.484 1.00 0.85 H new ATOM 0 HB2 ALA A 12 5.783 8.578 0.217 1.00 0.85 H new ATOM 0 HB3 ALA A 12 5.369 7.367 -1.019 1.00 0.85 H new ATOM 197 N ARG A 13 2.755 7.301 -2.254 1.00 0.67 N ATOM 198 CA ARG A 13 2.119 7.097 -3.548 1.00 0.67 C ATOM 199 C ARG A 13 0.605 7.319 -3.456 1.00 0.68 C ATOM 200 O ARG A 13 0.023 7.995 -4.304 1.00 0.75 O ATOM 201 CB ARG A 13 2.515 5.732 -4.110 1.00 0.77 C ATOM 202 CG ARG A 13 2.088 5.604 -5.581 1.00 1.82 C ATOM 203 CD ARG A 13 3.169 4.882 -6.390 1.00 1.50 C ATOM 204 NE ARG A 13 4.352 5.743 -6.518 1.00 1.43 N ATOM 205 CZ ARG A 13 5.555 5.387 -6.992 1.00 2.60 C ATOM 206 NH1 ARG A 13 5.819 4.138 -7.382 1.00 3.05 N ATOM 207 NH2 ARG A 13 6.503 6.316 -7.054 1.00 4.05 N ATOM 0 H ARG A 13 3.031 6.445 -1.774 1.00 0.67 H new ATOM 0 HA ARG A 13 2.476 7.842 -4.259 1.00 0.67 H new ATOM 0 HB2 ARG A 13 3.594 5.598 -4.027 1.00 0.77 H new ATOM 0 HB3 ARG A 13 2.049 4.942 -3.521 1.00 0.77 H new ATOM 0 HG2 ARG A 13 1.148 5.056 -5.647 1.00 1.82 H new ATOM 0 HG3 ARG A 13 1.910 6.594 -6.002 1.00 1.82 H new ATOM 0 HD2 ARG A 13 3.440 3.947 -5.900 1.00 1.50 H new ATOM 0 HD3 ARG A 13 2.786 4.625 -7.378 1.00 1.50 H new ATOM 0 HE ARG A 13 4.248 6.711 -6.215 1.00 1.43 H new ATOM 0 HH11 ARG A 13 5.095 3.422 -7.324 1.00 3.05 H new ATOM 0 HH12 ARG A 13 6.745 3.900 -7.738 1.00 3.05 H new ATOM 0 HH21 ARG A 13 6.305 7.268 -6.746 1.00 4.05 H new ATOM 0 HH22 ARG A 13 7.429 6.077 -7.410 1.00 4.05 H new ATOM 221 N ARG A 14 -0.025 6.804 -2.397 1.00 0.67 N ATOM 222 CA ARG A 14 -1.416 7.088 -2.070 1.00 0.69 C ATOM 223 C ARG A 14 -1.639 8.600 -2.082 1.00 0.72 C ATOM 224 O ARG A 14 -2.599 9.078 -2.685 1.00 0.76 O ATOM 225 CB ARG A 14 -1.750 6.497 -0.693 1.00 0.72 C ATOM 226 CG ARG A 14 -3.231 6.614 -0.329 1.00 0.77 C ATOM 227 CD ARG A 14 -3.466 6.495 1.182 1.00 0.92 C ATOM 228 NE ARG A 14 -2.623 5.448 1.786 1.00 1.27 N ATOM 229 CZ ARG A 14 -1.849 5.562 2.876 1.00 2.11 C ATOM 230 NH1 ARG A 14 -1.751 6.707 3.552 1.00 3.12 N ATOM 231 NH2 ARG A 14 -1.137 4.518 3.304 1.00 3.07 N ATOM 0 H ARG A 14 0.426 6.171 -1.737 1.00 0.67 H new ATOM 0 HA ARG A 14 -2.074 6.632 -2.810 1.00 0.69 H new ATOM 0 HB2 ARG A 14 -1.460 5.446 -0.676 1.00 0.72 H new ATOM 0 HB3 ARG A 14 -1.155 7.004 0.067 1.00 0.72 H new ATOM 0 HG2 ARG A 14 -3.616 7.571 -0.681 1.00 0.77 H new ATOM 0 HG3 ARG A 14 -3.793 5.836 -0.845 1.00 0.77 H new ATOM 0 HD2 ARG A 14 -3.255 7.452 1.659 1.00 0.92 H new ATOM 0 HD3 ARG A 14 -4.516 6.270 1.370 1.00 0.92 H new ATOM 0 HE ARG A 14 -2.629 4.538 1.325 1.00 1.27 H new ATOM 0 HH11 ARG A 14 -2.273 7.527 3.244 1.00 3.12 H new ATOM 0 HH12 ARG A 14 -1.154 6.763 4.377 1.00 3.12 H new ATOM 0 HH21 ARG A 14 -1.180 3.631 2.802 1.00 3.07 H new ATOM 0 HH22 ARG A 14 -0.549 4.607 4.133 1.00 3.07 H new ATOM 245 N LYS A 15 -0.745 9.349 -1.424 1.00 0.76 N ATOM 246 CA LYS A 15 -0.796 10.799 -1.410 1.00 0.84 C ATOM 247 C LYS A 15 -0.677 11.351 -2.832 1.00 0.90 C ATOM 248 O LYS A 15 -1.524 12.148 -3.225 1.00 1.07 O ATOM 249 CB LYS A 15 0.270 11.364 -0.459 1.00 0.96 C ATOM 250 CG LYS A 15 0.169 12.888 -0.302 1.00 1.64 C ATOM 251 CD LYS A 15 1.220 13.382 0.702 1.00 1.96 C ATOM 252 CE LYS A 15 1.144 14.909 0.861 1.00 3.29 C ATOM 253 NZ LYS A 15 2.148 15.425 1.817 1.00 4.17 N ATOM 0 H LYS A 15 0.030 8.958 -0.889 1.00 0.76 H new ATOM 0 HA LYS A 15 -1.763 11.124 -1.026 1.00 0.84 H new ATOM 0 HB2 LYS A 15 0.166 10.894 0.519 1.00 0.96 H new ATOM 0 HB3 LYS A 15 1.260 11.105 -0.834 1.00 0.96 H new ATOM 0 HG2 LYS A 15 0.320 13.372 -1.267 1.00 1.64 H new ATOM 0 HG3 LYS A 15 -0.829 13.162 0.040 1.00 1.64 H new ATOM 0 HD2 LYS A 15 1.061 12.902 1.668 1.00 1.96 H new ATOM 0 HD3 LYS A 15 2.216 13.096 0.364 1.00 1.96 H new ATOM 0 HE2 LYS A 15 1.294 15.381 -0.110 1.00 3.29 H new ATOM 0 HE3 LYS A 15 0.146 15.187 1.200 1.00 3.29 H new ATOM 0 HZ1 LYS A 15 2.058 16.458 1.891 1.00 4.17 H new ATOM 0 HZ2 LYS A 15 1.990 14.996 2.751 1.00 4.17 H new ATOM 0 HZ3 LYS A 15 3.103 15.184 1.482 1.00 4.17 H new ATOM 267 N LYS A 16 0.330 10.937 -3.616 1.00 0.87 N ATOM 268 CA LYS A 16 0.476 11.423 -4.993 1.00 0.93 C ATOM 269 C LYS A 16 -0.826 11.245 -5.784 1.00 0.85 C ATOM 270 O LYS A 16 -1.219 12.115 -6.565 1.00 0.94 O ATOM 271 CB LYS A 16 1.711 10.820 -5.708 1.00 1.06 C ATOM 272 CG LYS A 16 1.440 9.751 -6.780 1.00 2.14 C ATOM 273 CD LYS A 16 2.627 9.460 -7.708 1.00 2.76 C ATOM 274 CE LYS A 16 2.819 10.519 -8.812 1.00 3.64 C ATOM 275 NZ LYS A 16 3.751 11.595 -8.421 1.00 3.99 N ATOM 0 H LYS A 16 1.047 10.274 -3.323 1.00 0.87 H new ATOM 0 HA LYS A 16 0.670 12.494 -4.943 1.00 0.93 H new ATOM 0 HB2 LYS A 16 2.265 11.635 -6.174 1.00 1.06 H new ATOM 0 HB3 LYS A 16 2.362 10.384 -4.951 1.00 1.06 H new ATOM 0 HG2 LYS A 16 1.148 8.825 -6.285 1.00 2.14 H new ATOM 0 HG3 LYS A 16 0.592 10.070 -7.386 1.00 2.14 H new ATOM 0 HD2 LYS A 16 3.538 9.399 -7.112 1.00 2.76 H new ATOM 0 HD3 LYS A 16 2.484 8.484 -8.172 1.00 2.76 H new ATOM 0 HE2 LYS A 16 3.191 10.033 -9.714 1.00 3.64 H new ATOM 0 HE3 LYS A 16 1.852 10.956 -9.061 1.00 3.64 H new ATOM 0 HZ1 LYS A 16 4.258 11.938 -9.262 1.00 3.99 H new ATOM 0 HZ2 LYS A 16 3.217 12.379 -7.995 1.00 3.99 H new ATOM 0 HZ3 LYS A 16 4.436 11.227 -7.730 1.00 3.99 H new ATOM 289 N LEU A 17 -1.481 10.100 -5.592 1.00 0.74 N ATOM 290 CA LEU A 17 -2.717 9.735 -6.277 1.00 0.73 C ATOM 291 C LEU A 17 -3.968 10.288 -5.572 1.00 0.74 C ATOM 292 O LEU A 17 -5.061 10.199 -6.123 1.00 0.98 O ATOM 293 CB LEU A 17 -2.775 8.207 -6.435 1.00 0.74 C ATOM 294 CG LEU A 17 -1.644 7.642 -7.314 1.00 0.84 C ATOM 295 CD1 LEU A 17 -1.532 6.125 -7.151 1.00 0.93 C ATOM 296 CD2 LEU A 17 -1.835 7.986 -8.796 1.00 1.01 C ATOM 0 H LEU A 17 -1.158 9.385 -4.940 1.00 0.74 H new ATOM 0 HA LEU A 17 -2.712 10.196 -7.265 1.00 0.73 H new ATOM 0 HB2 LEU A 17 -2.725 7.745 -5.449 1.00 0.74 H new ATOM 0 HB3 LEU A 17 -3.736 7.930 -6.869 1.00 0.74 H new ATOM 0 HG LEU A 17 -0.721 8.112 -6.974 1.00 0.84 H new ATOM 0 HD11 LEU A 17 -0.726 5.750 -7.782 1.00 0.93 H new ATOM 0 HD12 LEU A 17 -1.319 5.886 -6.109 1.00 0.93 H new ATOM 0 HD13 LEU A 17 -2.471 5.657 -7.446 1.00 0.93 H new ATOM 0 HD21 LEU A 17 -1.013 7.566 -9.376 1.00 1.01 H new ATOM 0 HD22 LEU A 17 -2.778 7.568 -9.148 1.00 1.01 H new ATOM 0 HD23 LEU A 17 -1.850 9.069 -8.919 1.00 1.01 H new ATOM 308 N LYS A 18 -3.820 10.886 -4.385 1.00 0.72 N ATOM 309 CA LYS A 18 -4.898 11.365 -3.524 1.00 0.75 C ATOM 310 C LYS A 18 -5.935 10.265 -3.243 1.00 0.73 C ATOM 311 O LYS A 18 -7.138 10.525 -3.238 1.00 0.85 O ATOM 312 CB LYS A 18 -5.570 12.642 -4.073 1.00 0.90 C ATOM 313 CG LYS A 18 -4.698 13.908 -4.127 1.00 1.12 C ATOM 314 CD LYS A 18 -3.608 13.944 -5.207 1.00 1.51 C ATOM 315 CE LYS A 18 -4.147 13.755 -6.633 1.00 2.44 C ATOM 316 NZ LYS A 18 -3.055 13.773 -7.626 1.00 3.31 N ATOM 0 H LYS A 18 -2.898 11.056 -3.982 1.00 0.72 H new ATOM 0 HA LYS A 18 -4.435 11.634 -2.575 1.00 0.75 H new ATOM 0 HB2 LYS A 18 -5.929 12.432 -5.080 1.00 0.90 H new ATOM 0 HB3 LYS A 18 -6.446 12.857 -3.461 1.00 0.90 H new ATOM 0 HG2 LYS A 18 -5.353 14.767 -4.274 1.00 1.12 H new ATOM 0 HG3 LYS A 18 -4.220 14.035 -3.156 1.00 1.12 H new ATOM 0 HD2 LYS A 18 -3.083 14.898 -5.150 1.00 1.51 H new ATOM 0 HD3 LYS A 18 -2.876 13.164 -4.998 1.00 1.51 H new ATOM 0 HE2 LYS A 18 -4.685 12.809 -6.698 1.00 2.44 H new ATOM 0 HE3 LYS A 18 -4.862 14.545 -6.861 1.00 2.44 H new ATOM 0 HZ1 LYS A 18 -3.457 13.745 -8.585 1.00 3.31 H new ATOM 0 HZ2 LYS A 18 -2.495 14.642 -7.510 1.00 3.31 H new ATOM 0 HZ3 LYS A 18 -2.443 12.945 -7.484 1.00 3.31 H new ATOM 330 N ILE A 19 -5.489 9.033 -2.985 1.00 0.67 N ATOM 331 CA ILE A 19 -6.418 7.925 -2.757 1.00 0.70 C ATOM 332 C ILE A 19 -6.831 7.913 -1.280 1.00 0.71 C ATOM 333 O ILE A 19 -5.993 7.767 -0.395 1.00 0.80 O ATOM 334 CB ILE A 19 -5.817 6.586 -3.226 1.00 0.67 C ATOM 335 CG1 ILE A 19 -5.523 6.633 -4.735 1.00 0.76 C ATOM 336 CG2 ILE A 19 -6.790 5.431 -2.943 1.00 0.79 C ATOM 337 CD1 ILE A 19 -4.669 5.453 -5.213 1.00 0.84 C ATOM 0 H ILE A 19 -4.502 8.780 -2.929 1.00 0.67 H new ATOM 0 HA ILE A 19 -7.318 8.068 -3.356 1.00 0.70 H new ATOM 0 HB ILE A 19 -4.890 6.421 -2.677 1.00 0.67 H new ATOM 0 HG12 ILE A 19 -6.465 6.639 -5.284 1.00 0.76 H new ATOM 0 HG13 ILE A 19 -5.010 7.565 -4.971 1.00 0.76 H new ATOM 0 HG21 ILE A 19 -6.349 4.493 -3.281 1.00 0.79 H new ATOM 0 HG22 ILE A 19 -6.987 5.375 -1.872 1.00 0.79 H new ATOM 0 HG23 ILE A 19 -7.725 5.605 -3.475 1.00 0.79 H new ATOM 0 HD11 ILE A 19 -4.495 5.541 -6.285 1.00 0.84 H new ATOM 0 HD12 ILE A 19 -3.714 5.459 -4.688 1.00 0.84 H new ATOM 0 HD13 ILE A 19 -5.191 4.519 -5.006 1.00 0.84 H new ATOM 349 N ARG A 20 -8.128 8.056 -0.991 1.00 0.80 N ATOM 350 CA ARG A 20 -8.621 7.989 0.380 1.00 0.89 C ATOM 351 C ARG A 20 -8.414 6.581 0.957 1.00 0.82 C ATOM 352 O ARG A 20 -8.580 5.588 0.249 1.00 0.73 O ATOM 353 CB ARG A 20 -10.093 8.423 0.434 1.00 1.06 C ATOM 354 CG ARG A 20 -10.229 9.909 0.061 1.00 1.72 C ATOM 355 CD ARG A 20 -11.657 10.436 0.258 1.00 2.08 C ATOM 356 NE ARG A 20 -12.599 9.859 -0.715 1.00 2.97 N ATOM 357 CZ ARG A 20 -13.897 10.200 -0.815 1.00 4.03 C ATOM 358 NH1 ARG A 20 -14.420 11.088 0.038 1.00 4.16 N ATOM 359 NH2 ARG A 20 -14.663 9.653 -1.766 1.00 5.54 N ATOM 0 H ARG A 20 -8.852 8.219 -1.691 1.00 0.80 H new ATOM 0 HA ARG A 20 -8.051 8.680 1.001 1.00 0.89 H new ATOM 0 HB2 ARG A 20 -10.683 7.814 -0.251 1.00 1.06 H new ATOM 0 HB3 ARG A 20 -10.492 8.255 1.434 1.00 1.06 H new ATOM 0 HG2 ARG A 20 -9.541 10.497 0.668 1.00 1.72 H new ATOM 0 HG3 ARG A 20 -9.934 10.048 -0.979 1.00 1.72 H new ATOM 0 HD2 ARG A 20 -11.993 10.204 1.269 1.00 2.08 H new ATOM 0 HD3 ARG A 20 -11.659 11.522 0.163 1.00 2.08 H new ATOM 0 HE ARG A 20 -12.243 9.152 -1.358 1.00 2.97 H new ATOM 0 HH11 ARG A 20 -13.835 11.505 0.762 1.00 4.16 H new ATOM 0 HH12 ARG A 20 -15.404 11.348 -0.036 1.00 4.16 H new ATOM 0 HH21 ARG A 20 -14.263 8.977 -2.416 1.00 5.54 H new ATOM 0 HH22 ARG A 20 -15.647 9.912 -1.841 1.00 5.54 H new ATOM 373 N GLN A 21 -8.066 6.495 2.246 1.00 0.90 N ATOM 374 CA GLN A 21 -7.697 5.259 2.935 1.00 0.89 C ATOM 375 C GLN A 21 -8.684 4.125 2.647 1.00 0.74 C ATOM 376 O GLN A 21 -8.287 3.031 2.256 1.00 0.71 O ATOM 377 CB GLN A 21 -7.642 5.525 4.449 1.00 1.17 C ATOM 378 CG GLN A 21 -6.386 6.298 4.869 1.00 1.31 C ATOM 379 CD GLN A 21 -5.189 5.365 5.018 1.00 1.50 C ATOM 380 OE1 GLN A 21 -4.440 5.158 4.072 1.00 3.22 O ATOM 381 NE2 GLN A 21 -5.002 4.789 6.202 1.00 1.13 N ATOM 0 H GLN A 21 -8.033 7.312 2.856 1.00 0.90 H new ATOM 0 HA GLN A 21 -6.721 4.945 2.567 1.00 0.89 H new ATOM 0 HB2 GLN A 21 -8.527 6.088 4.747 1.00 1.17 H new ATOM 0 HB3 GLN A 21 -7.674 4.575 4.982 1.00 1.17 H new ATOM 0 HG2 GLN A 21 -6.163 7.065 4.127 1.00 1.31 H new ATOM 0 HG3 GLN A 21 -6.570 6.811 5.813 1.00 1.31 H new ATOM 0 HE21 GLN A 21 -5.644 4.982 6.970 1.00 1.13 H new ATOM 0 HE22 GLN A 21 -4.216 4.154 6.342 1.00 1.13 H new ATOM 390 N ALA A 22 -9.978 4.385 2.844 1.00 0.73 N ATOM 391 CA ALA A 22 -11.019 3.389 2.618 1.00 0.70 C ATOM 392 C ALA A 22 -11.018 2.922 1.159 1.00 0.60 C ATOM 393 O ALA A 22 -11.086 1.724 0.876 1.00 0.68 O ATOM 394 CB ALA A 22 -12.379 3.971 3.008 1.00 0.85 C ATOM 0 H ALA A 22 -10.329 5.288 3.163 1.00 0.73 H new ATOM 0 HA ALA A 22 -10.819 2.518 3.241 1.00 0.70 H new ATOM 0 HB1 ALA A 22 -13.156 3.225 2.839 1.00 0.85 H new ATOM 0 HB2 ALA A 22 -12.367 4.249 4.062 1.00 0.85 H new ATOM 0 HB3 ALA A 22 -12.584 4.853 2.402 1.00 0.85 H new ATOM 400 N ALA A 23 -10.933 3.880 0.228 1.00 0.60 N ATOM 401 CA ALA A 23 -10.911 3.594 -1.197 1.00 0.58 C ATOM 402 C ALA A 23 -9.724 2.695 -1.526 1.00 0.54 C ATOM 403 O ALA A 23 -9.895 1.713 -2.256 1.00 0.60 O ATOM 404 CB ALA A 23 -10.880 4.888 -2.017 1.00 0.63 C ATOM 0 H ALA A 23 -10.878 4.874 0.450 1.00 0.60 H new ATOM 0 HA ALA A 23 -11.826 3.066 -1.465 1.00 0.58 H new ATOM 0 HB1 ALA A 23 -10.864 4.645 -3.079 1.00 0.63 H new ATOM 0 HB2 ALA A 23 -11.767 5.482 -1.794 1.00 0.63 H new ATOM 0 HB3 ALA A 23 -9.987 5.459 -1.762 1.00 0.63 H new ATOM 410 N LEU A 24 -8.551 3.017 -0.967 1.00 0.49 N ATOM 411 CA LEU A 24 -7.367 2.186 -1.093 1.00 0.46 C ATOM 412 C LEU A 24 -7.669 0.790 -0.555 1.00 0.43 C ATOM 413 O LEU A 24 -7.517 -0.184 -1.281 1.00 0.45 O ATOM 414 CB LEU A 24 -6.156 2.812 -0.375 1.00 0.55 C ATOM 415 CG LEU A 24 -4.861 2.001 -0.571 1.00 0.64 C ATOM 416 CD1 LEU A 24 -4.404 1.978 -2.034 1.00 0.77 C ATOM 417 CD2 LEU A 24 -3.734 2.612 0.260 1.00 1.34 C ATOM 0 H LEU A 24 -8.405 3.863 -0.416 1.00 0.49 H new ATOM 0 HA LEU A 24 -7.102 2.111 -2.148 1.00 0.46 H new ATOM 0 HB2 LEU A 24 -6.004 3.826 -0.745 1.00 0.55 H new ATOM 0 HB3 LEU A 24 -6.372 2.891 0.690 1.00 0.55 H new ATOM 0 HG LEU A 24 -5.079 0.981 -0.254 1.00 0.64 H new ATOM 0 HD11 LEU A 24 -3.488 1.394 -2.120 1.00 0.77 H new ATOM 0 HD12 LEU A 24 -5.181 1.526 -2.651 1.00 0.77 H new ATOM 0 HD13 LEU A 24 -4.218 2.997 -2.373 1.00 0.77 H new ATOM 0 HD21 LEU A 24 -2.821 2.033 0.117 1.00 1.34 H new ATOM 0 HD22 LEU A 24 -3.565 3.641 -0.057 1.00 1.34 H new ATOM 0 HD23 LEU A 24 -4.011 2.598 1.314 1.00 1.34 H new ATOM 429 N GLY A 25 -8.119 0.687 0.698 1.00 0.42 N ATOM 430 CA GLY A 25 -8.419 -0.585 1.340 1.00 0.43 C ATOM 431 C GLY A 25 -9.215 -1.494 0.411 1.00 0.41 C ATOM 432 O GLY A 25 -8.773 -2.592 0.068 1.00 0.45 O ATOM 0 H GLY A 25 -8.285 1.495 1.297 1.00 0.42 H new ATOM 0 HA2 GLY A 25 -7.491 -1.078 1.629 1.00 0.43 H new ATOM 0 HA3 GLY A 25 -8.985 -0.410 2.255 1.00 0.43 H new ATOM 436 N LYS A 26 -10.366 -1.006 -0.055 1.00 0.42 N ATOM 437 CA LYS A 26 -11.199 -1.809 -0.938 1.00 0.49 C ATOM 438 C LYS A 26 -10.583 -2.041 -2.323 1.00 0.47 C ATOM 439 O LYS A 26 -10.822 -3.092 -2.909 1.00 0.55 O ATOM 440 CB LYS A 26 -12.639 -1.287 -1.000 1.00 0.67 C ATOM 441 CG LYS A 26 -12.816 0.218 -1.241 1.00 1.83 C ATOM 442 CD LYS A 26 -13.702 0.522 -2.458 1.00 2.17 C ATOM 443 CE LYS A 26 -13.015 0.195 -3.791 1.00 3.65 C ATOM 444 NZ LYS A 26 -11.864 1.079 -4.065 1.00 5.18 N ATOM 0 H LYS A 26 -10.733 -0.079 0.161 1.00 0.42 H new ATOM 0 HA LYS A 26 -11.245 -2.800 -0.487 1.00 0.49 H new ATOM 0 HB2 LYS A 26 -13.161 -1.822 -1.793 1.00 0.67 H new ATOM 0 HB3 LYS A 26 -13.134 -1.542 -0.063 1.00 0.67 H new ATOM 0 HG2 LYS A 26 -13.255 0.675 -0.354 1.00 1.83 H new ATOM 0 HG3 LYS A 26 -11.838 0.676 -1.385 1.00 1.83 H new ATOM 0 HD2 LYS A 26 -14.626 -0.051 -2.381 1.00 2.17 H new ATOM 0 HD3 LYS A 26 -13.978 1.576 -2.446 1.00 2.17 H new ATOM 0 HE2 LYS A 26 -12.678 -0.842 -3.778 1.00 3.65 H new ATOM 0 HE3 LYS A 26 -13.739 0.285 -4.601 1.00 3.65 H new ATOM 0 HZ1 LYS A 26 -11.424 0.807 -4.967 1.00 5.18 H new ATOM 0 HZ2 LYS A 26 -12.189 2.065 -4.122 1.00 5.18 H new ATOM 0 HZ3 LYS A 26 -11.166 0.988 -3.299 1.00 5.18 H new ATOM 458 N MET A 27 -9.825 -1.087 -2.882 1.00 0.44 N ATOM 459 CA MET A 27 -9.220 -1.294 -4.199 1.00 0.50 C ATOM 460 C MET A 27 -8.095 -2.340 -4.140 1.00 0.48 C ATOM 461 O MET A 27 -7.958 -3.146 -5.054 1.00 0.60 O ATOM 462 CB MET A 27 -8.802 0.034 -4.861 1.00 0.73 C ATOM 463 CG MET A 27 -7.350 0.434 -4.633 1.00 1.38 C ATOM 464 SD MET A 27 -6.929 2.137 -5.087 1.00 1.37 S ATOM 465 CE MET A 27 -7.248 2.141 -6.863 1.00 1.76 C ATOM 0 H MET A 27 -9.621 -0.185 -2.452 1.00 0.44 H new ATOM 0 HA MET A 27 -9.983 -1.711 -4.857 1.00 0.50 H new ATOM 0 HB2 MET A 27 -8.979 -0.040 -5.934 1.00 0.73 H new ATOM 0 HB3 MET A 27 -9.446 0.829 -4.486 1.00 0.73 H new ATOM 0 HG2 MET A 27 -7.112 0.288 -3.579 1.00 1.38 H new ATOM 0 HG3 MET A 27 -6.712 -0.243 -5.200 1.00 1.38 H new ATOM 0 HE1 MET A 27 -7.030 3.128 -7.270 1.00 1.76 H new ATOM 0 HE2 MET A 27 -6.613 1.400 -7.348 1.00 1.76 H new ATOM 0 HE3 MET A 27 -8.295 1.897 -7.045 1.00 1.76 H new ATOM 475 N VAL A 28 -7.292 -2.327 -3.070 1.00 0.44 N ATOM 476 CA VAL A 28 -6.298 -3.363 -2.808 1.00 0.47 C ATOM 477 C VAL A 28 -7.030 -4.681 -2.549 1.00 0.49 C ATOM 478 O VAL A 28 -6.615 -5.734 -3.025 1.00 0.62 O ATOM 479 CB VAL A 28 -5.420 -2.979 -1.599 1.00 0.47 C ATOM 480 CG1 VAL A 28 -4.352 -4.043 -1.312 1.00 0.54 C ATOM 481 CG2 VAL A 28 -4.646 -1.681 -1.831 1.00 0.54 C ATOM 0 H VAL A 28 -7.317 -1.593 -2.362 1.00 0.44 H new ATOM 0 HA VAL A 28 -5.640 -3.471 -3.670 1.00 0.47 H new ATOM 0 HB VAL A 28 -6.121 -2.876 -0.771 1.00 0.47 H new ATOM 0 HG11 VAL A 28 -3.754 -3.736 -0.454 1.00 0.54 H new ATOM 0 HG12 VAL A 28 -4.836 -4.995 -1.095 1.00 0.54 H new ATOM 0 HG13 VAL A 28 -3.706 -4.154 -2.183 1.00 0.54 H new ATOM 0 HG21 VAL A 28 -4.044 -1.454 -0.951 1.00 0.54 H new ATOM 0 HG22 VAL A 28 -3.995 -1.796 -2.697 1.00 0.54 H new ATOM 0 HG23 VAL A 28 -5.347 -0.866 -2.010 1.00 0.54 H new ATOM 491 N GLY A 29 -8.108 -4.612 -1.765 1.00 0.51 N ATOM 492 CA GLY A 29 -8.864 -5.769 -1.326 1.00 0.59 C ATOM 493 C GLY A 29 -8.370 -6.202 0.049 1.00 0.51 C ATOM 494 O GLY A 29 -8.081 -7.376 0.269 1.00 0.63 O ATOM 0 H GLY A 29 -8.481 -3.729 -1.415 1.00 0.51 H new ATOM 0 HA2 GLY A 29 -9.926 -5.529 -1.284 1.00 0.59 H new ATOM 0 HA3 GLY A 29 -8.749 -6.585 -2.040 1.00 0.59 H new ATOM 498 N VAL A 30 -8.292 -5.248 0.980 1.00 0.37 N ATOM 499 CA VAL A 30 -8.084 -5.508 2.394 1.00 0.39 C ATOM 500 C VAL A 30 -9.170 -4.782 3.185 1.00 0.57 C ATOM 501 O VAL A 30 -9.724 -3.783 2.726 1.00 0.43 O ATOM 502 CB VAL A 30 -6.699 -5.029 2.865 1.00 0.38 C ATOM 503 CG1 VAL A 30 -5.515 -5.715 2.183 1.00 0.52 C ATOM 504 CG2 VAL A 30 -6.501 -3.518 2.703 1.00 0.55 C ATOM 0 H VAL A 30 -8.374 -4.255 0.760 1.00 0.37 H new ATOM 0 HA VAL A 30 -8.135 -6.584 2.561 1.00 0.39 H new ATOM 0 HB VAL A 30 -6.704 -5.307 3.919 1.00 0.38 H new ATOM 0 HG11 VAL A 30 -4.583 -5.312 2.580 1.00 0.52 H new ATOM 0 HG12 VAL A 30 -5.557 -6.787 2.373 1.00 0.52 H new ATOM 0 HG13 VAL A 30 -5.560 -5.535 1.109 1.00 0.52 H new ATOM 0 HG21 VAL A 30 -5.506 -3.242 3.052 1.00 0.55 H new ATOM 0 HG22 VAL A 30 -6.605 -3.248 1.652 1.00 0.55 H new ATOM 0 HG23 VAL A 30 -7.251 -2.988 3.289 1.00 0.55 H new ATOM 514 N SER A 31 -9.418 -5.235 4.413 1.00 1.02 N ATOM 515 CA SER A 31 -10.063 -4.421 5.422 1.00 1.11 C ATOM 516 C SER A 31 -9.168 -3.209 5.695 1.00 1.19 C ATOM 517 O SER A 31 -7.962 -3.383 5.868 1.00 1.43 O ATOM 518 CB SER A 31 -10.189 -5.280 6.683 1.00 1.34 C ATOM 519 OG SER A 31 -8.963 -5.961 6.887 1.00 1.71 O ATOM 0 H SER A 31 -9.175 -6.174 4.728 1.00 1.02 H new ATOM 0 HA SER A 31 -11.047 -4.076 5.105 1.00 1.11 H new ATOM 0 HB2 SER A 31 -10.423 -4.655 7.545 1.00 1.34 H new ATOM 0 HB3 SER A 31 -11.006 -5.994 6.575 1.00 1.34 H new ATOM 0 HG SER A 31 -8.217 -5.347 6.724 1.00 1.71 H new ATOM 525 N ASN A 32 -9.749 -2.009 5.787 1.00 1.07 N ATOM 526 CA ASN A 32 -9.060 -0.760 6.129 1.00 1.11 C ATOM 527 C ASN A 32 -8.061 -0.912 7.286 1.00 1.09 C ATOM 528 O ASN A 32 -7.008 -0.274 7.287 1.00 1.04 O ATOM 529 CB ASN A 32 -10.084 0.338 6.454 1.00 1.10 C ATOM 530 CG ASN A 32 -10.855 0.066 7.747 1.00 2.18 C ATOM 531 OD1 ASN A 32 -11.119 -1.083 8.090 1.00 3.85 O ATOM 532 ND2 ASN A 32 -11.218 1.112 8.482 1.00 2.08 N ATOM 0 H ASN A 32 -10.746 -1.875 5.620 1.00 1.07 H new ATOM 0 HA ASN A 32 -8.477 -0.478 5.252 1.00 1.11 H new ATOM 0 HB2 ASN A 32 -9.569 1.295 6.538 1.00 1.10 H new ATOM 0 HB3 ASN A 32 -10.789 0.427 5.628 1.00 1.10 H new ATOM 0 HD21 ASN A 32 -11.728 0.970 9.354 1.00 2.08 H new ATOM 0 HD22 ASN A 32 -10.986 2.057 8.174 1.00 2.08 H new ATOM 539 N VAL A 33 -8.381 -1.765 8.263 1.00 1.16 N ATOM 540 CA VAL A 33 -7.508 -2.123 9.371 1.00 1.20 C ATOM 541 C VAL A 33 -6.106 -2.432 8.852 1.00 0.91 C ATOM 542 O VAL A 33 -5.128 -1.913 9.377 1.00 0.89 O ATOM 543 CB VAL A 33 -8.095 -3.328 10.129 1.00 1.51 C ATOM 544 CG1 VAL A 33 -7.108 -3.871 11.174 1.00 1.57 C ATOM 545 CG2 VAL A 33 -9.402 -2.939 10.832 1.00 1.88 C ATOM 0 H VAL A 33 -9.284 -2.237 8.301 1.00 1.16 H new ATOM 0 HA VAL A 33 -7.437 -1.284 10.063 1.00 1.20 H new ATOM 0 HB VAL A 33 -8.291 -4.107 9.392 1.00 1.51 H new ATOM 0 HG11 VAL A 33 -7.555 -4.721 11.690 1.00 1.57 H new ATOM 0 HG12 VAL A 33 -6.191 -4.189 10.678 1.00 1.57 H new ATOM 0 HG13 VAL A 33 -6.876 -3.089 11.897 1.00 1.57 H new ATOM 0 HG21 VAL A 33 -9.801 -3.804 11.362 1.00 1.88 H new ATOM 0 HG22 VAL A 33 -9.208 -2.136 11.543 1.00 1.88 H new ATOM 0 HG23 VAL A 33 -10.127 -2.601 10.091 1.00 1.88 H new ATOM 555 N ALA A 34 -6.005 -3.264 7.816 1.00 0.78 N ATOM 556 CA ALA A 34 -4.720 -3.638 7.243 1.00 0.65 C ATOM 557 C ALA A 34 -3.950 -2.401 6.780 1.00 0.44 C ATOM 558 O ALA A 34 -2.769 -2.256 7.084 1.00 0.45 O ATOM 559 CB ALA A 34 -4.914 -4.615 6.088 1.00 0.80 C ATOM 0 H ALA A 34 -6.808 -3.693 7.356 1.00 0.78 H new ATOM 0 HA ALA A 34 -4.132 -4.132 8.017 1.00 0.65 H new ATOM 0 HB1 ALA A 34 -3.943 -4.884 5.672 1.00 0.80 H new ATOM 0 HB2 ALA A 34 -5.414 -5.513 6.451 1.00 0.80 H new ATOM 0 HB3 ALA A 34 -5.524 -4.148 5.315 1.00 0.80 H new ATOM 565 N ILE A 35 -4.623 -1.487 6.070 1.00 0.42 N ATOM 566 CA ILE A 35 -4.003 -0.234 5.655 1.00 0.54 C ATOM 567 C ILE A 35 -3.521 0.520 6.896 1.00 0.68 C ATOM 568 O ILE A 35 -2.417 1.055 6.896 1.00 0.83 O ATOM 569 CB ILE A 35 -4.946 0.640 4.802 1.00 0.57 C ATOM 570 CG1 ILE A 35 -5.624 -0.097 3.634 1.00 0.55 C ATOM 571 CG2 ILE A 35 -4.172 1.848 4.254 1.00 0.64 C ATOM 572 CD1 ILE A 35 -4.642 -0.646 2.594 1.00 0.53 C ATOM 0 H ILE A 35 -5.593 -1.596 5.774 1.00 0.42 H new ATOM 0 HA ILE A 35 -3.153 -0.470 5.015 1.00 0.54 H new ATOM 0 HB ILE A 35 -5.749 0.948 5.472 1.00 0.57 H new ATOM 0 HG12 ILE A 35 -6.216 -0.922 4.032 1.00 0.55 H new ATOM 0 HG13 ILE A 35 -6.318 0.584 3.141 1.00 0.55 H new ATOM 0 HG21 ILE A 35 -4.839 2.465 3.652 1.00 0.64 H new ATOM 0 HG22 ILE A 35 -3.783 2.438 5.084 1.00 0.64 H new ATOM 0 HG23 ILE A 35 -3.344 1.500 3.637 1.00 0.64 H new ATOM 0 HD11 ILE A 35 -5.195 -1.152 1.803 1.00 0.53 H new ATOM 0 HD12 ILE A 35 -4.067 0.176 2.167 1.00 0.53 H new ATOM 0 HD13 ILE A 35 -3.964 -1.353 3.072 1.00 0.53 H new ATOM 584 N SER A 36 -4.331 0.553 7.961 1.00 0.79 N ATOM 585 CA SER A 36 -3.917 1.137 9.232 1.00 1.05 C ATOM 586 C SER A 36 -2.627 0.474 9.735 1.00 0.88 C ATOM 587 O SER A 36 -1.659 1.167 10.026 1.00 0.93 O ATOM 588 CB SER A 36 -5.049 1.069 10.272 1.00 1.38 C ATOM 589 OG SER A 36 -4.825 1.987 11.334 1.00 1.83 O ATOM 0 H SER A 36 -5.280 0.179 7.962 1.00 0.79 H new ATOM 0 HA SER A 36 -3.701 2.193 9.073 1.00 1.05 H new ATOM 0 HB2 SER A 36 -6.002 1.290 9.791 1.00 1.38 H new ATOM 0 HB3 SER A 36 -5.120 0.057 10.671 1.00 1.38 H new ATOM 0 HG SER A 36 -5.634 2.521 11.481 1.00 1.83 H new ATOM 595 N GLN A 37 -2.588 -0.858 9.831 1.00 0.77 N ATOM 596 CA GLN A 37 -1.402 -1.581 10.279 1.00 0.70 C ATOM 597 C GLN A 37 -0.176 -1.191 9.448 1.00 0.59 C ATOM 598 O GLN A 37 0.878 -0.865 9.999 1.00 0.71 O ATOM 599 CB GLN A 37 -1.637 -3.095 10.214 1.00 0.85 C ATOM 600 CG GLN A 37 -2.780 -3.544 11.133 1.00 1.14 C ATOM 601 CD GLN A 37 -2.589 -4.987 11.578 1.00 1.88 C ATOM 602 OE1 GLN A 37 -2.986 -5.914 10.879 1.00 3.15 O ATOM 603 NE2 GLN A 37 -1.976 -5.189 12.737 1.00 1.99 N ATOM 0 H GLN A 37 -3.377 -1.461 9.600 1.00 0.77 H new ATOM 0 HA GLN A 37 -1.210 -1.305 11.316 1.00 0.70 H new ATOM 0 HB2 GLN A 37 -1.865 -3.382 9.187 1.00 0.85 H new ATOM 0 HB3 GLN A 37 -0.721 -3.615 10.495 1.00 0.85 H new ATOM 0 HG2 GLN A 37 -2.826 -2.894 12.006 1.00 1.14 H new ATOM 0 HG3 GLN A 37 -3.732 -3.444 10.611 1.00 1.14 H new ATOM 0 HE21 GLN A 37 -1.659 -4.394 13.292 1.00 1.99 H new ATOM 0 HE22 GLN A 37 -1.821 -6.139 13.073 1.00 1.99 H new ATOM 612 N TRP A 38 -0.338 -1.215 8.124 1.00 0.54 N ATOM 613 CA TRP A 38 0.697 -0.879 7.161 1.00 0.69 C ATOM 614 C TRP A 38 1.171 0.572 7.336 1.00 0.84 C ATOM 615 O TRP A 38 2.373 0.826 7.327 1.00 1.00 O ATOM 616 CB TRP A 38 0.186 -1.210 5.746 1.00 0.67 C ATOM 617 CG TRP A 38 -0.157 -2.644 5.467 1.00 0.64 C ATOM 618 CD1 TRP A 38 0.196 -3.741 6.177 1.00 0.68 C ATOM 619 CD2 TRP A 38 -0.913 -3.142 4.333 1.00 0.60 C ATOM 620 NE1 TRP A 38 -0.291 -4.874 5.553 1.00 0.67 N ATOM 621 CE2 TRP A 38 -0.975 -4.562 4.395 1.00 0.62 C ATOM 622 CE3 TRP A 38 -1.531 -2.516 3.238 1.00 0.58 C ATOM 623 CZ2 TRP A 38 -1.620 -5.320 3.404 1.00 0.61 C ATOM 624 CZ3 TRP A 38 -2.099 -3.261 2.193 1.00 0.57 C ATOM 625 CH2 TRP A 38 -2.164 -4.660 2.285 1.00 0.59 C ATOM 0 H TRP A 38 -1.221 -1.477 7.685 1.00 0.54 H new ATOM 0 HA TRP A 38 1.588 -1.483 7.333 1.00 0.69 H new ATOM 0 HB2 TRP A 38 -0.701 -0.606 5.555 1.00 0.67 H new ATOM 0 HB3 TRP A 38 0.945 -0.897 5.029 1.00 0.67 H new ATOM 0 HD1 TRP A 38 0.770 -3.732 7.091 1.00 0.68 H new ATOM 0 HE1 TRP A 38 -0.161 -5.823 5.904 1.00 0.67 H new ATOM 0 HE3 TRP A 38 -1.570 -1.437 3.199 1.00 0.58 H new ATOM 0 HZ2 TRP A 38 -1.698 -6.393 3.499 1.00 0.61 H new ATOM 0 HZ3 TRP A 38 -2.486 -2.758 1.319 1.00 0.57 H new ATOM 0 HH2 TRP A 38 -2.632 -5.231 1.497 1.00 0.59 H new ATOM 636 N GLU A 39 0.250 1.522 7.536 1.00 0.95 N ATOM 637 CA GLU A 39 0.580 2.893 7.919 1.00 1.37 C ATOM 638 C GLU A 39 1.435 2.905 9.190 1.00 1.29 C ATOM 639 O GLU A 39 2.493 3.537 9.220 1.00 1.41 O ATOM 640 CB GLU A 39 -0.704 3.713 8.151 1.00 1.90 C ATOM 641 CG GLU A 39 -1.228 4.409 6.890 1.00 1.35 C ATOM 642 CD GLU A 39 -0.393 5.624 6.519 1.00 1.69 C ATOM 643 OE1 GLU A 39 -0.037 6.411 7.421 1.00 2.99 O ATOM 644 OE2 GLU A 39 -0.087 5.770 5.318 1.00 1.95 O ATOM 0 H GLU A 39 -0.751 1.356 7.435 1.00 0.95 H new ATOM 0 HA GLU A 39 1.148 3.344 7.105 1.00 1.37 H new ATOM 0 HB2 GLU A 39 -1.480 3.054 8.540 1.00 1.90 H new ATOM 0 HB3 GLU A 39 -0.511 4.465 8.916 1.00 1.90 H new ATOM 0 HG2 GLU A 39 -1.228 3.703 6.060 1.00 1.35 H new ATOM 0 HG3 GLU A 39 -2.262 4.715 7.048 1.00 1.35 H new ATOM 651 N ARG A 40 0.943 2.261 10.251 1.00 1.28 N ATOM 652 CA ARG A 40 1.535 2.349 11.578 1.00 1.45 C ATOM 653 C ARG A 40 2.957 1.794 11.567 1.00 1.20 C ATOM 654 O ARG A 40 3.867 2.477 12.033 1.00 1.69 O ATOM 655 CB ARG A 40 0.701 1.552 12.586 1.00 2.12 C ATOM 656 CG ARG A 40 -0.684 2.150 12.873 1.00 2.18 C ATOM 657 CD ARG A 40 -1.513 1.092 13.614 1.00 3.22 C ATOM 658 NE ARG A 40 -2.952 1.185 13.343 1.00 4.02 N ATOM 659 CZ ARG A 40 -3.871 0.397 13.925 1.00 5.21 C ATOM 660 NH1 ARG A 40 -3.525 -0.507 14.846 1.00 5.70 N ATOM 661 NH2 ARG A 40 -5.147 0.528 13.554 1.00 6.44 N ATOM 0 H ARG A 40 0.118 1.662 10.208 1.00 1.28 H new ATOM 0 HA ARG A 40 1.557 3.399 11.868 1.00 1.45 H new ATOM 0 HB2 ARG A 40 0.575 0.536 12.213 1.00 2.12 H new ATOM 0 HB3 ARG A 40 1.254 1.481 13.522 1.00 2.12 H new ATOM 0 HG2 ARG A 40 -0.592 3.053 13.476 1.00 2.18 H new ATOM 0 HG3 ARG A 40 -1.175 2.437 11.943 1.00 2.18 H new ATOM 0 HD2 ARG A 40 -1.161 0.100 13.330 1.00 3.22 H new ATOM 0 HD3 ARG A 40 -1.345 1.195 14.686 1.00 3.22 H new ATOM 0 HE ARG A 40 -3.272 1.887 12.676 1.00 4.02 H new ATOM 0 HH11 ARG A 40 -2.547 -0.608 15.119 1.00 5.70 H new ATOM 0 HH12 ARG A 40 -4.238 -1.096 15.276 1.00 5.70 H new ATOM 0 HH21 ARG A 40 -5.404 1.214 12.844 1.00 6.44 H new ATOM 0 HH22 ARG A 40 -5.865 -0.058 13.980 1.00 6.44 H new ATOM 675 N SER A 41 3.110 0.551 11.087 1.00 1.33 N ATOM 676 CA SER A 41 4.313 -0.292 11.082 1.00 1.70 C ATOM 677 C SER A 41 4.017 -1.728 11.531 1.00 1.10 C ATOM 678 O SER A 41 4.917 -2.560 11.477 1.00 1.50 O ATOM 679 CB SER A 41 5.466 0.245 11.947 1.00 2.97 C ATOM 680 OG SER A 41 5.064 0.468 13.283 1.00 4.23 O ATOM 0 H SER A 41 2.323 0.067 10.654 1.00 1.33 H new ATOM 0 HA SER A 41 4.632 -0.276 10.040 1.00 1.70 H new ATOM 0 HB2 SER A 41 6.293 -0.465 11.931 1.00 2.97 H new ATOM 0 HB3 SER A 41 5.837 1.176 11.519 1.00 2.97 H new ATOM 0 HG SER A 41 4.673 1.363 13.362 1.00 4.23 H new ATOM 686 N GLU A 42 2.803 -2.024 12.010 1.00 0.93 N ATOM 687 CA GLU A 42 2.514 -3.270 12.712 1.00 1.10 C ATOM 688 C GLU A 42 2.792 -4.493 11.835 1.00 1.02 C ATOM 689 O GLU A 42 3.203 -5.535 12.340 1.00 1.44 O ATOM 690 CB GLU A 42 1.060 -3.268 13.195 1.00 1.55 C ATOM 691 CG GLU A 42 0.796 -2.205 14.271 1.00 1.65 C ATOM 692 CD GLU A 42 -0.675 -2.138 14.659 1.00 1.85 C ATOM 693 OE1 GLU A 42 -1.463 -2.944 14.122 1.00 2.65 O ATOM 694 OE2 GLU A 42 -1.031 -1.221 15.429 1.00 2.33 O ATOM 0 H GLU A 42 1.998 -1.405 11.920 1.00 0.93 H new ATOM 0 HA GLU A 42 3.178 -3.335 13.574 1.00 1.10 H new ATOM 0 HB2 GLU A 42 0.399 -3.092 12.346 1.00 1.55 H new ATOM 0 HB3 GLU A 42 0.812 -4.252 13.593 1.00 1.55 H new ATOM 0 HG2 GLU A 42 1.394 -2.428 15.155 1.00 1.65 H new ATOM 0 HG3 GLU A 42 1.119 -1.231 13.905 1.00 1.65 H new ATOM 701 N THR A 43 2.556 -4.361 10.529 1.00 0.91 N ATOM 702 CA THR A 43 2.981 -5.324 9.525 1.00 1.08 C ATOM 703 C THR A 43 3.400 -4.546 8.282 1.00 1.04 C ATOM 704 O THR A 43 3.038 -3.379 8.130 1.00 0.85 O ATOM 705 CB THR A 43 1.839 -6.295 9.182 1.00 1.30 C ATOM 706 OG1 THR A 43 0.634 -5.589 8.967 1.00 1.17 O ATOM 707 CG2 THR A 43 1.601 -7.328 10.286 1.00 1.65 C ATOM 0 H THR A 43 2.054 -3.564 10.137 1.00 0.91 H new ATOM 0 HA THR A 43 3.813 -5.916 9.906 1.00 1.08 H new ATOM 0 HB THR A 43 2.143 -6.817 8.275 1.00 1.30 H new ATOM 0 HG1 THR A 43 -0.081 -6.222 8.748 1.00 1.17 H new ATOM 0 HG21 THR A 43 0.785 -7.990 9.995 1.00 1.65 H new ATOM 0 HG22 THR A 43 2.507 -7.914 10.437 1.00 1.65 H new ATOM 0 HG23 THR A 43 1.341 -6.817 11.213 1.00 1.65 H new ATOM 715 N GLU A 44 4.125 -5.207 7.383 1.00 1.38 N ATOM 716 CA GLU A 44 4.241 -4.848 5.981 1.00 1.28 C ATOM 717 C GLU A 44 3.247 -5.706 5.188 1.00 1.07 C ATOM 718 O GLU A 44 2.837 -6.772 5.648 1.00 1.15 O ATOM 719 CB GLU A 44 5.688 -5.057 5.492 1.00 1.69 C ATOM 720 CG GLU A 44 6.267 -6.451 5.785 1.00 2.50 C ATOM 721 CD GLU A 44 6.696 -6.594 7.234 1.00 3.52 C ATOM 722 OE1 GLU A 44 7.795 -6.081 7.534 1.00 4.17 O ATOM 723 OE2 GLU A 44 5.876 -7.104 8.026 1.00 4.72 O ATOM 0 H GLU A 44 4.666 -6.037 7.625 1.00 1.38 H new ATOM 0 HA GLU A 44 4.005 -3.794 5.834 1.00 1.28 H new ATOM 0 HB2 GLU A 44 5.723 -4.882 4.417 1.00 1.69 H new ATOM 0 HB3 GLU A 44 6.327 -4.307 5.958 1.00 1.69 H new ATOM 0 HG2 GLU A 44 5.521 -7.210 5.551 1.00 2.50 H new ATOM 0 HG3 GLU A 44 7.122 -6.633 5.134 1.00 2.50 H new ATOM 730 N PRO A 45 2.842 -5.260 3.994 1.00 0.96 N ATOM 731 CA PRO A 45 2.096 -6.085 3.060 1.00 0.90 C ATOM 732 C PRO A 45 2.968 -7.233 2.546 1.00 0.88 C ATOM 733 O PRO A 45 4.107 -7.027 2.132 1.00 1.05 O ATOM 734 CB PRO A 45 1.715 -5.154 1.912 1.00 0.89 C ATOM 735 CG PRO A 45 2.830 -4.105 1.954 1.00 0.90 C ATOM 736 CD PRO A 45 3.111 -3.950 3.439 1.00 0.99 C ATOM 0 HA PRO A 45 1.220 -6.535 3.527 1.00 0.90 H new ATOM 0 HB2 PRO A 45 1.686 -5.678 0.957 1.00 0.89 H new ATOM 0 HB3 PRO A 45 0.732 -4.708 2.060 1.00 0.89 H new ATOM 0 HG2 PRO A 45 3.714 -4.437 1.410 1.00 0.90 H new ATOM 0 HG3 PRO A 45 2.514 -3.164 1.504 1.00 0.90 H new ATOM 0 HD2 PRO A 45 4.142 -3.646 3.619 1.00 0.99 H new ATOM 0 HD3 PRO A 45 2.472 -3.189 3.887 1.00 0.99 H new ATOM 744 N ASN A 46 2.403 -8.438 2.541 1.00 0.87 N ATOM 745 CA ASN A 46 3.018 -9.655 2.016 1.00 0.85 C ATOM 746 C ASN A 46 2.710 -9.831 0.537 1.00 0.79 C ATOM 747 O ASN A 46 1.776 -9.224 0.034 1.00 0.71 O ATOM 748 CB ASN A 46 2.485 -10.871 2.789 1.00 1.05 C ATOM 749 CG ASN A 46 0.959 -10.811 2.849 1.00 1.63 C ATOM 750 OD1 ASN A 46 0.416 -10.076 3.670 1.00 2.59 O ATOM 751 ND2 ASN A 46 0.249 -11.476 1.950 1.00 1.90 N ATOM 0 H ASN A 46 1.469 -8.600 2.917 1.00 0.87 H new ATOM 0 HA ASN A 46 4.098 -9.572 2.138 1.00 0.85 H new ATOM 0 HB2 ASN A 46 2.804 -11.793 2.302 1.00 1.05 H new ATOM 0 HB3 ASN A 46 2.899 -10.884 3.797 1.00 1.05 H new ATOM 0 HD21 ASN A 46 -0.767 -11.382 1.931 1.00 1.90 H new ATOM 0 HD22 ASN A 46 0.718 -12.082 1.276 1.00 1.90 H new ATOM 758 N GLY A 47 3.510 -10.659 -0.141 1.00 0.84 N ATOM 759 CA GLY A 47 3.537 -10.880 -1.586 1.00 0.79 C ATOM 760 C GLY A 47 2.263 -10.490 -2.339 1.00 0.71 C ATOM 761 O GLY A 47 2.267 -9.538 -3.117 1.00 0.61 O ATOM 0 H GLY A 47 4.203 -11.231 0.341 1.00 0.84 H new ATOM 0 HA2 GLY A 47 4.372 -10.319 -2.006 1.00 0.79 H new ATOM 0 HA3 GLY A 47 3.738 -11.935 -1.770 1.00 0.79 H new ATOM 765 N GLU A 48 1.175 -11.225 -2.123 1.00 0.78 N ATOM 766 CA GLU A 48 -0.063 -11.066 -2.877 1.00 0.70 C ATOM 767 C GLU A 48 -0.592 -9.646 -2.648 1.00 0.60 C ATOM 768 O GLU A 48 -0.929 -8.918 -3.582 1.00 0.57 O ATOM 769 CB GLU A 48 -1.134 -12.106 -2.474 1.00 0.84 C ATOM 770 CG GLU A 48 -1.128 -12.643 -1.029 1.00 2.31 C ATOM 771 CD GLU A 48 0.031 -13.570 -0.694 1.00 3.34 C ATOM 772 OE1 GLU A 48 -0.054 -14.761 -1.051 1.00 4.34 O ATOM 773 OE2 GLU A 48 1.004 -13.030 -0.116 1.00 4.05 O ATOM 0 H GLU A 48 1.129 -11.955 -1.412 1.00 0.78 H new ATOM 0 HA GLU A 48 0.152 -11.231 -3.933 1.00 0.70 H new ATOM 0 HB2 GLU A 48 -2.113 -11.663 -2.660 1.00 0.84 H new ATOM 0 HB3 GLU A 48 -1.037 -12.959 -3.146 1.00 0.84 H new ATOM 0 HG2 GLU A 48 -1.107 -11.797 -0.343 1.00 2.31 H new ATOM 0 HG3 GLU A 48 -2.063 -13.175 -0.851 1.00 2.31 H new ATOM 780 N ASN A 49 -0.641 -9.246 -1.379 1.00 0.62 N ATOM 781 CA ASN A 49 -1.090 -7.941 -0.937 1.00 0.58 C ATOM 782 C ASN A 49 -0.167 -6.833 -1.431 1.00 0.58 C ATOM 783 O ASN A 49 -0.635 -5.749 -1.758 1.00 0.69 O ATOM 784 CB ASN A 49 -1.180 -7.947 0.596 1.00 0.60 C ATOM 785 CG ASN A 49 -2.289 -8.876 1.083 1.00 0.76 C ATOM 786 OD1 ASN A 49 -2.038 -9.869 1.757 1.00 1.80 O ATOM 787 ND2 ASN A 49 -3.530 -8.578 0.716 1.00 1.52 N ATOM 0 H ASN A 49 -0.357 -9.849 -0.607 1.00 0.62 H new ATOM 0 HA ASN A 49 -2.073 -7.737 -1.361 1.00 0.58 H new ATOM 0 HB2 ASN A 49 -0.226 -8.264 1.017 1.00 0.60 H new ATOM 0 HB3 ASN A 49 -1.366 -6.935 0.955 1.00 0.60 H new ATOM 0 HD21 ASN A 49 -4.303 -9.182 0.995 1.00 1.52 H new ATOM 0 HD22 ASN A 49 -3.710 -7.745 0.155 1.00 1.52 H new ATOM 794 N LEU A 50 1.135 -7.095 -1.500 1.00 0.52 N ATOM 795 CA LEU A 50 2.139 -6.182 -2.013 1.00 0.52 C ATOM 796 C LEU A 50 1.915 -5.979 -3.516 1.00 0.48 C ATOM 797 O LEU A 50 1.949 -4.851 -4.007 1.00 0.46 O ATOM 798 CB LEU A 50 3.530 -6.749 -1.674 1.00 0.60 C ATOM 799 CG LEU A 50 4.681 -5.843 -2.136 1.00 0.54 C ATOM 800 CD1 LEU A 50 4.493 -4.392 -1.684 1.00 1.70 C ATOM 801 CD2 LEU A 50 6.001 -6.389 -1.580 1.00 1.46 C ATOM 0 H LEU A 50 1.529 -7.982 -1.188 1.00 0.52 H new ATOM 0 HA LEU A 50 2.065 -5.198 -1.550 1.00 0.52 H new ATOM 0 HB2 LEU A 50 3.602 -6.897 -0.596 1.00 0.60 H new ATOM 0 HB3 LEU A 50 3.639 -7.729 -2.138 1.00 0.60 H new ATOM 0 HG LEU A 50 4.694 -5.845 -3.226 1.00 0.54 H new ATOM 0 HD11 LEU A 50 5.332 -3.790 -2.034 1.00 1.70 H new ATOM 0 HD12 LEU A 50 3.565 -3.999 -2.100 1.00 1.70 H new ATOM 0 HD13 LEU A 50 4.448 -4.353 -0.596 1.00 1.70 H new ATOM 0 HD21 LEU A 50 6.824 -5.751 -1.904 1.00 1.46 H new ATOM 0 HD22 LEU A 50 5.959 -6.403 -0.491 1.00 1.46 H new ATOM 0 HD23 LEU A 50 6.160 -7.402 -1.950 1.00 1.46 H new ATOM 813 N LEU A 51 1.631 -7.057 -4.252 1.00 0.50 N ATOM 814 CA LEU A 51 1.214 -6.960 -5.643 1.00 0.50 C ATOM 815 C LEU A 51 -0.064 -6.121 -5.745 1.00 0.47 C ATOM 816 O LEU A 51 -0.086 -5.142 -6.496 1.00 0.58 O ATOM 817 CB LEU A 51 1.046 -8.353 -6.274 1.00 0.55 C ATOM 818 CG LEU A 51 2.297 -8.806 -7.045 1.00 0.66 C ATOM 819 CD1 LEU A 51 3.526 -8.972 -6.144 1.00 2.34 C ATOM 820 CD2 LEU A 51 2.006 -10.138 -7.746 1.00 1.72 C ATOM 0 H LEU A 51 1.685 -8.012 -3.899 1.00 0.50 H new ATOM 0 HA LEU A 51 1.995 -6.455 -6.212 1.00 0.50 H new ATOM 0 HB2 LEU A 51 0.823 -9.078 -5.491 1.00 0.55 H new ATOM 0 HB3 LEU A 51 0.191 -8.341 -6.950 1.00 0.55 H new ATOM 0 HG LEU A 51 2.528 -8.024 -7.769 1.00 0.66 H new ATOM 0 HD11 LEU A 51 4.377 -9.293 -6.745 1.00 2.34 H new ATOM 0 HD12 LEU A 51 3.758 -8.020 -5.666 1.00 2.34 H new ATOM 0 HD13 LEU A 51 3.318 -9.721 -5.380 1.00 2.34 H new ATOM 0 HD21 LEU A 51 2.891 -10.462 -8.294 1.00 1.72 H new ATOM 0 HD22 LEU A 51 1.744 -10.891 -7.003 1.00 1.72 H new ATOM 0 HD23 LEU A 51 1.176 -10.010 -8.441 1.00 1.72 H new ATOM 832 N ALA A 52 -1.110 -6.465 -4.984 1.00 0.40 N ATOM 833 CA ALA A 52 -2.364 -5.717 -5.011 1.00 0.41 C ATOM 834 C ALA A 52 -2.119 -4.240 -4.727 1.00 0.37 C ATOM 835 O ALA A 52 -2.647 -3.380 -5.422 1.00 0.42 O ATOM 836 CB ALA A 52 -3.358 -6.302 -4.008 1.00 0.52 C ATOM 0 H ALA A 52 -1.109 -7.258 -4.343 1.00 0.40 H new ATOM 0 HA ALA A 52 -2.792 -5.803 -6.010 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -4.287 -5.732 -4.042 1.00 0.52 H new ATOM 0 HB2 ALA A 52 -3.561 -7.342 -4.262 1.00 0.52 H new ATOM 0 HB3 ALA A 52 -2.936 -6.249 -3.004 1.00 0.52 H new ATOM 842 N LEU A 53 -1.287 -3.945 -3.731 1.00 0.37 N ATOM 843 CA LEU A 53 -0.870 -2.596 -3.408 1.00 0.37 C ATOM 844 C LEU A 53 -0.204 -1.947 -4.610 1.00 0.35 C ATOM 845 O LEU A 53 -0.612 -0.867 -5.010 1.00 0.40 O ATOM 846 CB LEU A 53 0.079 -2.612 -2.211 1.00 0.44 C ATOM 847 CG LEU A 53 -0.610 -2.399 -0.867 1.00 0.63 C ATOM 848 CD1 LEU A 53 0.495 -2.631 0.156 1.00 1.25 C ATOM 849 CD2 LEU A 53 -1.131 -0.965 -0.706 1.00 2.00 C ATOM 0 H LEU A 53 -0.881 -4.653 -3.120 1.00 0.37 H new ATOM 0 HA LEU A 53 -1.750 -2.009 -3.145 1.00 0.37 H new ATOM 0 HB2 LEU A 53 0.605 -3.567 -2.190 1.00 0.44 H new ATOM 0 HB3 LEU A 53 0.832 -1.836 -2.348 1.00 0.44 H new ATOM 0 HG LEU A 53 -1.470 -3.059 -0.759 1.00 0.63 H new ATOM 0 HD11 LEU A 53 0.094 -2.499 1.161 1.00 1.25 H new ATOM 0 HD12 LEU A 53 0.882 -3.644 0.050 1.00 1.25 H new ATOM 0 HD13 LEU A 53 1.300 -1.916 -0.010 1.00 1.25 H new ATOM 0 HD21 LEU A 53 -1.614 -0.860 0.266 1.00 2.00 H new ATOM 0 HD22 LEU A 53 -0.298 -0.265 -0.775 1.00 2.00 H new ATOM 0 HD23 LEU A 53 -1.852 -0.749 -1.495 1.00 2.00 H new ATOM 861 N SER A 54 0.812 -2.576 -5.200 1.00 0.33 N ATOM 862 CA SER A 54 1.521 -1.967 -6.318 1.00 0.37 C ATOM 863 C SER A 54 0.546 -1.602 -7.442 1.00 0.37 C ATOM 864 O SER A 54 0.701 -0.581 -8.106 1.00 0.47 O ATOM 865 CB SER A 54 2.644 -2.884 -6.816 1.00 0.44 C ATOM 866 OG SER A 54 2.124 -3.975 -7.553 1.00 1.78 O ATOM 0 H SER A 54 1.157 -3.496 -4.925 1.00 0.33 H new ATOM 0 HA SER A 54 1.985 -1.043 -5.972 1.00 0.37 H new ATOM 0 HB2 SER A 54 3.332 -2.315 -7.441 1.00 0.44 H new ATOM 0 HB3 SER A 54 3.217 -3.256 -5.967 1.00 0.44 H new ATOM 0 HG SER A 54 1.342 -4.341 -7.088 1.00 1.78 H new ATOM 872 N LYS A 55 -0.438 -2.467 -7.704 1.00 0.39 N ATOM 873 CA LYS A 55 -1.462 -2.205 -8.706 1.00 0.41 C ATOM 874 C LYS A 55 -2.382 -1.067 -8.254 1.00 0.42 C ATOM 875 O LYS A 55 -2.573 -0.111 -9.003 1.00 0.51 O ATOM 876 CB LYS A 55 -2.202 -3.501 -9.053 1.00 0.51 C ATOM 877 CG LYS A 55 -1.279 -4.579 -9.656 1.00 1.75 C ATOM 878 CD LYS A 55 -0.665 -4.183 -11.014 1.00 3.43 C ATOM 879 CE LYS A 55 0.872 -4.068 -11.029 1.00 5.21 C ATOM 880 NZ LYS A 55 1.403 -3.148 -10.002 1.00 6.11 N ATOM 0 H LYS A 55 -0.543 -3.363 -7.227 1.00 0.39 H new ATOM 0 HA LYS A 55 -0.997 -1.860 -9.630 1.00 0.41 H new ATOM 0 HB2 LYS A 55 -2.673 -3.896 -8.153 1.00 0.51 H new ATOM 0 HB3 LYS A 55 -3.001 -3.278 -9.760 1.00 0.51 H new ATOM 0 HG2 LYS A 55 -0.474 -4.791 -8.952 1.00 1.75 H new ATOM 0 HG3 LYS A 55 -1.846 -5.502 -9.779 1.00 1.75 H new ATOM 0 HD2 LYS A 55 -0.966 -4.919 -11.759 1.00 3.43 H new ATOM 0 HD3 LYS A 55 -1.088 -3.227 -11.321 1.00 3.43 H new ATOM 0 HE2 LYS A 55 1.304 -5.057 -10.878 1.00 5.21 H new ATOM 0 HE3 LYS A 55 1.194 -3.726 -12.013 1.00 5.21 H new ATOM 0 HZ1 LYS A 55 2.383 -2.891 -10.239 1.00 6.11 H new ATOM 0 HZ2 LYS A 55 0.818 -2.289 -9.970 1.00 6.11 H new ATOM 0 HZ3 LYS A 55 1.383 -3.616 -9.073 1.00 6.11 H new ATOM 894 N ALA A 56 -2.898 -1.118 -7.024 1.00 0.41 N ATOM 895 CA ALA A 56 -3.692 -0.037 -6.447 1.00 0.47 C ATOM 896 C ALA A 56 -3.004 1.323 -6.553 1.00 0.48 C ATOM 897 O ALA A 56 -3.610 2.341 -6.876 1.00 0.57 O ATOM 898 CB ALA A 56 -3.999 -0.368 -4.989 1.00 0.57 C ATOM 0 H ALA A 56 -2.775 -1.915 -6.399 1.00 0.41 H new ATOM 0 HA ALA A 56 -4.617 0.041 -7.019 1.00 0.47 H new ATOM 0 HB1 ALA A 56 -4.592 0.435 -4.551 1.00 0.57 H new ATOM 0 HB2 ALA A 56 -4.559 -1.302 -4.938 1.00 0.57 H new ATOM 0 HB3 ALA A 56 -3.066 -0.474 -4.436 1.00 0.57 H new ATOM 904 N LEU A 57 -1.710 1.295 -6.275 1.00 0.45 N ATOM 905 CA LEU A 57 -0.787 2.417 -6.281 1.00 0.47 C ATOM 906 C LEU A 57 -0.232 2.694 -7.684 1.00 0.50 C ATOM 907 O LEU A 57 0.633 3.554 -7.828 1.00 0.64 O ATOM 908 CB LEU A 57 0.355 2.126 -5.296 1.00 0.53 C ATOM 909 CG LEU A 57 -0.089 1.988 -3.829 1.00 0.63 C ATOM 910 CD1 LEU A 57 1.141 1.600 -3.002 1.00 1.05 C ATOM 911 CD2 LEU A 57 -0.718 3.273 -3.274 1.00 0.77 C ATOM 0 H LEU A 57 -1.245 0.424 -6.021 1.00 0.45 H new ATOM 0 HA LEU A 57 -1.326 3.313 -5.972 1.00 0.47 H new ATOM 0 HB2 LEU A 57 0.854 1.206 -5.600 1.00 0.53 H new ATOM 0 HB3 LEU A 57 1.091 2.927 -5.366 1.00 0.53 H new ATOM 0 HG LEU A 57 -0.863 1.223 -3.770 1.00 0.63 H new ATOM 0 HD11 LEU A 57 0.857 1.495 -1.955 1.00 1.05 H new ATOM 0 HD12 LEU A 57 1.541 0.654 -3.367 1.00 1.05 H new ATOM 0 HD13 LEU A 57 1.902 2.375 -3.095 1.00 1.05 H new ATOM 0 HD21 LEU A 57 -1.012 3.116 -2.236 1.00 0.77 H new ATOM 0 HD22 LEU A 57 0.007 4.085 -3.327 1.00 0.77 H new ATOM 0 HD23 LEU A 57 -1.597 3.532 -3.864 1.00 0.77 H new ATOM 923 N GLN A 58 -0.721 1.998 -8.715 1.00 0.50 N ATOM 924 CA GLN A 58 -0.410 2.259 -10.112 1.00 0.64 C ATOM 925 C GLN A 58 1.102 2.317 -10.366 1.00 0.71 C ATOM 926 O GLN A 58 1.587 3.234 -11.027 1.00 0.95 O ATOM 927 CB GLN A 58 -1.131 3.537 -10.572 1.00 0.77 C ATOM 928 CG GLN A 58 -2.649 3.458 -10.346 1.00 0.90 C ATOM 929 CD GLN A 58 -3.350 4.756 -10.731 1.00 1.61 C ATOM 930 OE1 GLN A 58 -4.006 5.386 -9.908 1.00 2.44 O ATOM 931 NE2 GLN A 58 -3.221 5.177 -11.986 1.00 2.95 N ATOM 0 H GLN A 58 -1.363 1.215 -8.590 1.00 0.50 H new ATOM 0 HA GLN A 58 -0.776 1.425 -10.711 1.00 0.64 H new ATOM 0 HB2 GLN A 58 -0.729 4.394 -10.032 1.00 0.77 H new ATOM 0 HB3 GLN A 58 -0.931 3.705 -11.630 1.00 0.77 H new ATOM 0 HG2 GLN A 58 -3.061 2.636 -10.931 1.00 0.90 H new ATOM 0 HG3 GLN A 58 -2.849 3.235 -9.298 1.00 0.90 H new ATOM 0 HE21 GLN A 58 -2.670 4.635 -12.652 1.00 2.95 H new ATOM 0 HE22 GLN A 58 -3.673 6.042 -12.283 1.00 2.95 H new ATOM 940 N CYS A 59 1.853 1.334 -9.859 1.00 0.62 N ATOM 941 CA CYS A 59 3.295 1.253 -10.070 1.00 0.72 C ATOM 942 C CYS A 59 3.796 -0.189 -9.991 1.00 0.67 C ATOM 943 O CYS A 59 3.019 -1.137 -9.854 1.00 0.63 O ATOM 944 CB CYS A 59 4.045 2.181 -9.101 1.00 0.94 C ATOM 945 SG CYS A 59 4.278 1.415 -7.477 1.00 1.10 S ATOM 0 H CYS A 59 1.475 0.575 -9.292 1.00 0.62 H new ATOM 0 HA CYS A 59 3.506 1.601 -11.081 1.00 0.72 H new ATOM 0 HB2 CYS A 59 5.016 2.439 -9.524 1.00 0.94 H new ATOM 0 HB3 CYS A 59 3.490 3.112 -8.987 1.00 0.94 H new ATOM 0 HG CYS A 59 5.083 0.400 -7.587 1.00 1.10 H new ATOM 951 N SER A 60 5.108 -0.366 -10.131 1.00 0.76 N ATOM 952 CA SER A 60 5.770 -1.652 -10.215 1.00 0.83 C ATOM 953 C SER A 60 6.171 -2.117 -8.799 1.00 0.81 C ATOM 954 O SER A 60 6.460 -1.277 -7.943 1.00 0.89 O ATOM 955 CB SER A 60 6.941 -1.420 -11.173 1.00 1.05 C ATOM 956 OG SER A 60 7.697 -0.312 -10.722 1.00 1.11 O ATOM 0 H SER A 60 5.758 0.417 -10.191 1.00 0.76 H new ATOM 0 HA SER A 60 5.148 -2.461 -10.598 1.00 0.83 H new ATOM 0 HB2 SER A 60 7.569 -2.309 -11.221 1.00 1.05 H new ATOM 0 HB3 SER A 60 6.571 -1.237 -12.182 1.00 1.05 H new ATOM 0 HG SER A 60 8.573 -0.620 -10.408 1.00 1.11 H new ATOM 962 N PRO A 61 6.103 -3.425 -8.489 1.00 0.75 N ATOM 963 CA PRO A 61 6.264 -3.943 -7.130 1.00 0.71 C ATOM 964 C PRO A 61 7.670 -3.690 -6.580 1.00 0.66 C ATOM 965 O PRO A 61 7.834 -3.340 -5.412 1.00 0.65 O ATOM 966 CB PRO A 61 5.933 -5.436 -7.217 1.00 0.75 C ATOM 967 CG PRO A 61 6.234 -5.787 -8.675 1.00 0.74 C ATOM 968 CD PRO A 61 5.850 -4.510 -9.422 1.00 0.78 C ATOM 0 HA PRO A 61 5.602 -3.434 -6.430 1.00 0.71 H new ATOM 0 HB2 PRO A 61 6.542 -6.022 -6.529 1.00 0.75 H new ATOM 0 HB3 PRO A 61 4.891 -5.631 -6.965 1.00 0.75 H new ATOM 0 HG2 PRO A 61 7.284 -6.040 -8.821 1.00 0.74 H new ATOM 0 HG3 PRO A 61 5.650 -6.643 -9.013 1.00 0.74 H new ATOM 0 HD2 PRO A 61 6.442 -4.393 -10.330 1.00 0.78 H new ATOM 0 HD3 PRO A 61 4.803 -4.532 -9.724 1.00 0.78 H new ATOM 976 N ASP A 62 8.678 -3.825 -7.438 1.00 0.72 N ATOM 977 CA ASP A 62 10.046 -3.349 -7.255 1.00 0.93 C ATOM 978 C ASP A 62 10.129 -1.967 -6.601 1.00 0.95 C ATOM 979 O ASP A 62 11.058 -1.718 -5.835 1.00 1.16 O ATOM 980 CB ASP A 62 10.757 -3.347 -8.613 1.00 1.14 C ATOM 981 CG ASP A 62 9.832 -2.799 -9.680 1.00 1.81 C ATOM 982 OD1 ASP A 62 8.968 -3.607 -10.086 1.00 2.69 O ATOM 983 OD2 ASP A 62 9.886 -1.583 -9.960 1.00 2.89 O ATOM 0 H ASP A 62 8.554 -4.298 -8.333 1.00 0.72 H new ATOM 0 HA ASP A 62 10.541 -4.032 -6.565 1.00 0.93 H new ATOM 0 HB2 ASP A 62 11.662 -2.742 -8.558 1.00 1.14 H new ATOM 0 HB3 ASP A 62 11.066 -4.360 -8.873 1.00 1.14 H new ATOM 988 N TYR A 63 9.180 -1.055 -6.808 1.00 0.86 N ATOM 989 CA TYR A 63 9.280 0.214 -6.098 1.00 0.88 C ATOM 990 C TYR A 63 9.288 0.039 -4.590 1.00 0.83 C ATOM 991 O TYR A 63 9.824 0.870 -3.861 1.00 1.00 O ATOM 992 CB TYR A 63 8.162 1.164 -6.547 1.00 1.04 C ATOM 993 CG TYR A 63 7.981 2.439 -5.733 1.00 1.19 C ATOM 994 CD1 TYR A 63 8.776 3.574 -5.977 1.00 2.08 C ATOM 995 CD2 TYR A 63 6.916 2.529 -4.815 1.00 2.34 C ATOM 996 CE1 TYR A 63 8.563 4.754 -5.246 1.00 2.14 C ATOM 997 CE2 TYR A 63 6.674 3.727 -4.122 1.00 2.54 C ATOM 998 CZ TYR A 63 7.529 4.825 -4.303 1.00 1.65 C ATOM 999 OH TYR A 63 7.238 6.019 -3.713 1.00 1.90 O ATOM 0 H TYR A 63 8.376 -1.161 -7.426 1.00 0.86 H new ATOM 0 HA TYR A 63 10.241 0.659 -6.357 1.00 0.88 H new ATOM 0 HB2 TYR A 63 8.350 1.445 -7.583 1.00 1.04 H new ATOM 0 HB3 TYR A 63 7.221 0.614 -6.532 1.00 1.04 H new ATOM 0 HD1 TYR A 63 9.551 3.538 -6.728 1.00 2.08 H new ATOM 0 HD2 TYR A 63 6.282 1.672 -4.643 1.00 2.34 H new ATOM 0 HE1 TYR A 63 9.199 5.611 -5.411 1.00 2.14 H new ATOM 0 HE2 TYR A 63 5.831 3.803 -3.451 1.00 2.54 H new ATOM 0 HH TYR A 63 6.496 5.901 -3.084 1.00 1.90 H new ATOM 1009 N LEU A 64 8.667 -1.026 -4.123 1.00 0.85 N ATOM 1010 CA LEU A 64 8.629 -1.441 -2.738 1.00 1.12 C ATOM 1011 C LEU A 64 9.713 -2.474 -2.476 1.00 1.35 C ATOM 1012 O LEU A 64 10.515 -2.319 -1.559 1.00 1.83 O ATOM 1013 CB LEU A 64 7.216 -1.939 -2.482 1.00 1.21 C ATOM 1014 CG LEU A 64 6.281 -0.780 -2.875 1.00 1.17 C ATOM 1015 CD1 LEU A 64 5.337 -1.170 -4.019 1.00 1.33 C ATOM 1016 CD2 LEU A 64 5.470 -0.382 -1.648 1.00 1.38 C ATOM 0 H LEU A 64 8.148 -1.657 -4.733 1.00 0.85 H new ATOM 0 HA LEU A 64 8.843 -0.629 -2.043 1.00 1.12 H new ATOM 0 HB2 LEU A 64 7.003 -2.830 -3.073 1.00 1.21 H new ATOM 0 HB3 LEU A 64 7.082 -2.211 -1.435 1.00 1.21 H new ATOM 0 HG LEU A 64 6.887 0.055 -3.227 1.00 1.17 H new ATOM 0 HD11 LEU A 64 4.695 -0.324 -4.265 1.00 1.33 H new ATOM 0 HD12 LEU A 64 5.923 -1.448 -4.895 1.00 1.33 H new ATOM 0 HD13 LEU A 64 4.722 -2.015 -3.711 1.00 1.33 H new ATOM 0 HD21 LEU A 64 4.800 0.439 -1.905 1.00 1.38 H new ATOM 0 HD22 LEU A 64 4.884 -1.235 -1.307 1.00 1.38 H new ATOM 0 HD23 LEU A 64 6.145 -0.064 -0.853 1.00 1.38 H new ATOM 1028 N LEU A 65 9.728 -3.527 -3.295 1.00 1.20 N ATOM 1029 CA LEU A 65 10.572 -4.688 -3.075 1.00 1.53 C ATOM 1030 C LEU A 65 12.048 -4.380 -3.347 1.00 2.15 C ATOM 1031 O LEU A 65 12.910 -4.872 -2.623 1.00 2.83 O ATOM 1032 CB LEU A 65 10.037 -5.861 -3.906 1.00 1.55 C ATOM 1033 CG LEU A 65 10.761 -7.195 -3.657 1.00 1.79 C ATOM 1034 CD1 LEU A 65 10.726 -7.621 -2.183 1.00 2.75 C ATOM 1035 CD2 LEU A 65 10.080 -8.278 -4.499 1.00 2.93 C ATOM 0 H LEU A 65 9.149 -3.592 -4.132 1.00 1.20 H new ATOM 0 HA LEU A 65 10.532 -4.973 -2.024 1.00 1.53 H new ATOM 0 HB2 LEU A 65 8.977 -5.991 -3.690 1.00 1.55 H new ATOM 0 HB3 LEU A 65 10.118 -5.609 -4.963 1.00 1.55 H new ATOM 0 HG LEU A 65 11.807 -7.064 -3.934 1.00 1.79 H new ATOM 0 HD11 LEU A 65 11.252 -8.569 -2.066 1.00 2.75 H new ATOM 0 HD12 LEU A 65 11.211 -6.859 -1.572 1.00 2.75 H new ATOM 0 HD13 LEU A 65 9.691 -7.738 -1.863 1.00 2.75 H new ATOM 0 HD21 LEU A 65 10.579 -9.233 -4.336 1.00 2.93 H new ATOM 0 HD22 LEU A 65 9.033 -8.361 -4.207 1.00 2.93 H new ATOM 0 HD23 LEU A 65 10.142 -8.011 -5.554 1.00 2.93 H new ATOM 1047 N LYS A 66 12.354 -3.557 -4.358 1.00 2.02 N ATOM 1048 CA LYS A 66 13.707 -3.048 -4.557 1.00 2.46 C ATOM 1049 C LYS A 66 13.850 -1.747 -3.769 1.00 2.15 C ATOM 1050 O LYS A 66 14.959 -1.382 -3.371 1.00 2.58 O ATOM 1051 CB LYS A 66 14.024 -2.900 -6.058 1.00 3.05 C ATOM 1052 CG LYS A 66 15.352 -2.176 -6.327 1.00 3.74 C ATOM 1053 CD LYS A 66 15.144 -0.664 -6.547 1.00 4.15 C ATOM 1054 CE LYS A 66 16.381 0.151 -6.143 1.00 5.35 C ATOM 1055 NZ LYS A 66 16.461 0.352 -4.679 1.00 5.86 N ATOM 0 H LYS A 66 11.678 -3.232 -5.049 1.00 2.02 H new ATOM 0 HA LYS A 66 14.447 -3.753 -4.178 1.00 2.46 H new ATOM 0 HB2 LYS A 66 14.058 -3.889 -6.515 1.00 3.05 H new ATOM 0 HB3 LYS A 66 13.215 -2.353 -6.542 1.00 3.05 H new ATOM 0 HG2 LYS A 66 16.028 -2.332 -5.486 1.00 3.74 H new ATOM 0 HG3 LYS A 66 15.831 -2.609 -7.205 1.00 3.74 H new ATOM 0 HD2 LYS A 66 14.914 -0.478 -7.596 1.00 4.15 H new ATOM 0 HD3 LYS A 66 14.284 -0.328 -5.968 1.00 4.15 H new ATOM 0 HE2 LYS A 66 17.280 -0.360 -6.488 1.00 5.35 H new ATOM 0 HE3 LYS A 66 16.354 1.120 -6.641 1.00 5.35 H new ATOM 0 HZ1 LYS A 66 17.452 0.509 -4.404 1.00 5.86 H new ATOM 0 HZ2 LYS A 66 15.892 1.180 -4.411 1.00 5.86 H new ATOM 0 HZ3 LYS A 66 16.096 -0.492 -4.192 1.00 5.86 H new ATOM 1069 N GLY A 67 12.742 -1.029 -3.568 1.00 1.81 N ATOM 1070 CA GLY A 67 12.727 0.205 -2.810 1.00 2.20 C ATOM 1071 C GLY A 67 13.234 1.309 -3.714 1.00 2.06 C ATOM 1072 O GLY A 67 14.401 1.696 -3.637 1.00 2.59 O ATOM 0 H GLY A 67 11.828 -1.298 -3.933 1.00 1.81 H new ATOM 0 HA2 GLY A 67 11.718 0.428 -2.463 1.00 2.20 H new ATOM 0 HA3 GLY A 67 13.356 0.117 -1.924 1.00 2.20 H new ATOM 1076 N ASP A 68 12.374 1.754 -4.621 1.00 1.89 N ATOM 1077 CA ASP A 68 12.752 2.750 -5.627 1.00 2.63 C ATOM 1078 C ASP A 68 12.292 4.134 -5.178 1.00 2.18 C ATOM 1079 O ASP A 68 11.400 4.269 -4.344 1.00 2.89 O ATOM 1080 CB ASP A 68 12.261 2.328 -7.020 1.00 4.23 C ATOM 1081 CG ASP A 68 12.709 3.248 -8.149 1.00 5.32 C ATOM 1082 OD1 ASP A 68 13.630 4.064 -7.917 1.00 5.74 O ATOM 1083 OD2 ASP A 68 12.066 3.187 -9.213 1.00 6.31 O ATOM 0 H ASP A 68 11.405 1.442 -4.684 1.00 1.89 H new ATOM 0 HA ASP A 68 13.837 2.809 -5.718 1.00 2.63 H new ATOM 0 HB2 ASP A 68 12.616 1.319 -7.227 1.00 4.23 H new ATOM 0 HB3 ASP A 68 11.172 2.287 -7.011 1.00 4.23 H new ATOM 1088 N LEU A 69 12.942 5.169 -5.691 1.00 2.87 N ATOM 1089 CA LEU A 69 12.475 6.536 -5.596 1.00 3.72 C ATOM 1090 C LEU A 69 11.609 6.844 -6.812 1.00 3.92 C ATOM 1091 O LEU A 69 10.673 7.633 -6.697 1.00 4.78 O ATOM 1092 CB LEU A 69 13.664 7.496 -5.485 1.00 5.37 C ATOM 1093 CG LEU A 69 14.584 7.159 -4.299 1.00 7.10 C ATOM 1094 CD1 LEU A 69 15.646 8.256 -4.164 1.00 8.80 C ATOM 1095 CD2 LEU A 69 13.807 7.020 -2.982 1.00 7.95 C ATOM 0 H LEU A 69 13.825 5.075 -6.193 1.00 2.87 H new ATOM 0 HA LEU A 69 11.872 6.667 -4.697 1.00 3.72 H new ATOM 0 HB2 LEU A 69 14.241 7.463 -6.409 1.00 5.37 H new ATOM 0 HB3 LEU A 69 13.295 8.516 -5.376 1.00 5.37 H new ATOM 0 HG LEU A 69 15.053 6.196 -4.499 1.00 7.10 H new ATOM 0 HD11 LEU A 69 16.303 8.025 -3.325 1.00 8.80 H new ATOM 0 HD12 LEU A 69 16.233 8.309 -5.081 1.00 8.80 H new ATOM 0 HD13 LEU A 69 15.158 9.215 -3.990 1.00 8.80 H new ATOM 0 HD21 LEU A 69 14.499 6.782 -2.174 1.00 7.95 H new ATOM 0 HD22 LEU A 69 13.298 7.958 -2.759 1.00 7.95 H new ATOM 0 HD23 LEU A 69 13.071 6.221 -3.076 1.00 7.95 H new ATOM 1107 N SER A 70 11.890 6.217 -7.960 1.00 4.34 N ATOM 1108 CA SER A 70 11.159 6.403 -9.211 1.00 5.78 C ATOM 1109 C SER A 70 10.930 7.892 -9.494 1.00 6.33 C ATOM 1110 O SER A 70 9.811 8.366 -9.338 1.00 7.05 O ATOM 1111 CB SER A 70 9.831 5.616 -9.184 1.00 7.08 C ATOM 1112 OG SER A 70 8.995 6.023 -8.108 1.00 7.18 O ATOM 0 H SER A 70 12.655 5.548 -8.043 1.00 4.34 H new ATOM 0 HA SER A 70 11.762 6.007 -10.028 1.00 5.78 H new ATOM 0 HB2 SER A 70 9.304 5.760 -10.127 1.00 7.08 H new ATOM 0 HB3 SER A 70 10.042 4.550 -9.096 1.00 7.08 H new ATOM 0 HG SER A 70 9.040 5.358 -7.389 1.00 7.18 H new ATOM 1118 N GLN A 71 11.976 8.641 -9.852 1.00 6.57 N ATOM 1119 CA GLN A 71 11.925 10.091 -10.039 1.00 7.60 C ATOM 1120 C GLN A 71 11.249 10.792 -8.848 1.00 7.71 C ATOM 1121 O GLN A 71 10.243 11.473 -9.023 1.00 8.99 O ATOM 1122 CB GLN A 71 11.246 10.483 -11.367 1.00 9.23 C ATOM 1123 CG GLN A 71 11.502 9.557 -12.562 1.00 10.02 C ATOM 1124 CD GLN A 71 10.447 8.456 -12.668 1.00 10.74 C ATOM 1125 OE1 GLN A 71 10.741 7.285 -12.448 1.00 10.87 O ATOM 1126 NE2 GLN A 71 9.210 8.813 -13.002 1.00 11.65 N ATOM 0 H GLN A 71 12.901 8.247 -10.023 1.00 6.57 H new ATOM 0 HA GLN A 71 12.958 10.435 -10.089 1.00 7.60 H new ATOM 0 HB2 GLN A 71 10.170 10.534 -11.199 1.00 9.23 H new ATOM 0 HB3 GLN A 71 11.575 11.487 -11.636 1.00 9.23 H new ATOM 0 HG2 GLN A 71 11.508 10.144 -13.481 1.00 10.02 H new ATOM 0 HG3 GLN A 71 12.489 9.105 -12.466 1.00 10.02 H new ATOM 0 HE21 GLN A 71 8.993 9.794 -13.180 1.00 11.65 H new ATOM 0 HE22 GLN A 71 8.479 8.106 -13.081 1.00 11.65 H new ATOM 1135 N THR A 72 11.780 10.593 -7.637 1.00 6.99 N ATOM 1136 CA THR A 72 11.256 11.175 -6.401 1.00 7.92 C ATOM 1137 C THR A 72 9.721 11.137 -6.317 1.00 8.72 C ATOM 1138 O THR A 72 9.015 12.143 -6.314 1.00 9.16 O ATOM 1139 CB THR A 72 11.830 12.568 -6.148 1.00 8.52 C ATOM 1140 OG1 THR A 72 11.746 13.390 -7.294 1.00 8.79 O ATOM 1141 CG2 THR A 72 13.300 12.493 -5.722 1.00 8.68 C ATOM 0 H THR A 72 12.604 10.010 -7.488 1.00 6.99 H new ATOM 0 HA THR A 72 11.601 10.537 -5.587 1.00 7.92 H new ATOM 0 HB THR A 72 11.230 13.002 -5.348 1.00 8.52 H new ATOM 0 HG1 THR A 72 12.121 14.272 -7.092 1.00 8.79 H new ATOM 0 HG21 THR A 72 13.681 13.500 -5.549 1.00 8.68 H new ATOM 0 HG22 THR A 72 13.384 11.911 -4.804 1.00 8.68 H new ATOM 0 HG23 THR A 72 13.883 12.015 -6.509 1.00 8.68 H new ATOM 1149 N ASN A 73 9.228 9.911 -6.205 1.00 9.47 N ATOM 1150 CA ASN A 73 7.831 9.512 -6.236 1.00 10.79 C ATOM 1151 C ASN A 73 7.100 10.075 -7.459 1.00 11.21 C ATOM 1152 O ASN A 73 5.990 10.597 -7.356 1.00 11.91 O ATOM 1153 CB ASN A 73 7.128 9.835 -4.913 1.00 11.80 C ATOM 1154 CG ASN A 73 5.720 9.242 -4.839 1.00 13.19 C ATOM 1155 OD1 ASN A 73 5.389 8.272 -5.530 1.00 13.47 O ATOM 1156 ND2 ASN A 73 4.880 9.831 -3.991 1.00 14.36 N ATOM 0 H ASN A 73 9.845 9.108 -6.080 1.00 9.47 H new ATOM 0 HA ASN A 73 7.799 8.428 -6.346 1.00 10.79 H new ATOM 0 HB2 ASN A 73 7.724 9.452 -4.085 1.00 11.80 H new ATOM 0 HB3 ASN A 73 7.070 10.917 -4.790 1.00 11.80 H new ATOM 0 HD21 ASN A 73 3.926 9.484 -3.894 1.00 14.36 H new ATOM 0 HD22 ASN A 73 5.190 10.630 -3.438 1.00 14.36 H new ATOM 1163 N VAL A 74 7.713 9.902 -8.628 1.00 11.20 N ATOM 1164 CA VAL A 74 7.202 10.235 -9.947 1.00 12.13 C ATOM 1165 C VAL A 74 6.809 11.713 -9.989 1.00 12.48 C ATOM 1166 O VAL A 74 5.638 12.072 -10.163 1.00 13.06 O ATOM 1167 CB VAL A 74 6.117 9.229 -10.384 1.00 13.01 C ATOM 1168 CG1 VAL A 74 5.615 9.474 -11.816 1.00 14.20 C ATOM 1169 CG2 VAL A 74 6.675 7.799 -10.343 1.00 13.06 C ATOM 0 H VAL A 74 8.647 9.496 -8.677 1.00 11.20 H new ATOM 0 HA VAL A 74 7.976 10.127 -10.707 1.00 12.13 H new ATOM 0 HB VAL A 74 5.289 9.363 -9.688 1.00 13.01 H new ATOM 0 HG11 VAL A 74 4.854 8.735 -12.066 1.00 14.20 H new ATOM 0 HG12 VAL A 74 5.187 10.474 -11.885 1.00 14.20 H new ATOM 0 HG13 VAL A 74 6.448 9.387 -12.514 1.00 14.20 H new ATOM 0 HG21 VAL A 74 5.901 7.097 -10.653 1.00 13.06 H new ATOM 0 HG22 VAL A 74 7.527 7.721 -11.018 1.00 13.06 H new ATOM 0 HG23 VAL A 74 6.994 7.562 -9.328 1.00 13.06 H new ATOM 1179 N ALA A 75 7.799 12.588 -9.816 1.00 12.49 N ATOM 1180 CA ALA A 75 7.706 13.998 -10.159 1.00 13.28 C ATOM 1181 C ALA A 75 7.760 14.113 -11.686 1.00 13.87 C ATOM 1182 O ALA A 75 8.696 14.691 -12.236 1.00 14.16 O ATOM 1183 CB ALA A 75 8.851 14.754 -9.475 1.00 13.54 C ATOM 0 H ALA A 75 8.704 12.327 -9.425 1.00 12.49 H new ATOM 0 HA ALA A 75 6.773 14.441 -9.812 1.00 13.28 H new ATOM 0 HB1 ALA A 75 8.789 15.813 -9.727 1.00 13.54 H new ATOM 0 HB2 ALA A 75 8.773 14.633 -8.395 1.00 13.54 H new ATOM 0 HB3 ALA A 75 9.806 14.355 -9.817 1.00 13.54 H new ATOM 1189 N TYR A 76 6.747 13.531 -12.339 1.00 14.44 N ATOM 1190 CA TYR A 76 6.797 13.062 -13.717 1.00 15.22 C ATOM 1191 C TYR A 76 7.646 11.782 -13.801 1.00 15.18 C ATOM 1192 O TYR A 76 8.302 11.440 -12.817 1.00 14.67 O ATOM 1193 CB TYR A 76 7.267 14.164 -14.681 1.00 15.93 C ATOM 1194 CG TYR A 76 6.731 14.026 -16.093 1.00 17.12 C ATOM 1195 CD1 TYR A 76 7.379 13.191 -17.021 1.00 17.70 C ATOM 1196 CD2 TYR A 76 5.579 14.738 -16.479 1.00 17.97 C ATOM 1197 CE1 TYR A 76 6.877 13.069 -18.329 1.00 19.10 C ATOM 1198 CE2 TYR A 76 5.078 14.616 -17.787 1.00 19.31 C ATOM 1199 CZ TYR A 76 5.724 13.774 -18.709 1.00 19.86 C ATOM 1200 OH TYR A 76 5.244 13.652 -19.979 1.00 21.39 O ATOM 1201 OXT TYR A 76 7.391 10.981 -14.693 1.00 15.89 O ATOM 0 H TYR A 76 5.840 13.371 -11.901 1.00 14.44 H new ATOM 0 HA TYR A 76 5.788 12.809 -14.041 1.00 15.22 H new ATOM 0 HB2 TYR A 76 6.965 15.133 -14.283 1.00 15.93 H new ATOM 0 HB3 TYR A 76 8.356 14.160 -14.716 1.00 15.93 H new ATOM 0 HD1 TYR A 76 8.263 12.643 -16.729 1.00 17.70 H new ATOM 0 HD2 TYR A 76 5.079 15.379 -15.768 1.00 17.97 H new ATOM 0 HE1 TYR A 76 7.379 12.432 -19.042 1.00 19.10 H new ATOM 0 HE2 TYR A 76 4.198 15.168 -18.083 1.00 19.31 H new ATOM 0 HH TYR A 76 4.440 14.204 -20.079 1.00 21.39 H new TER 1211 TYR A 76