USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1007 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 63 SER OG : rot -130:sc= 0.482 USER MOD Set 1.2: A 101 ASN : amide:sc= 0.43 K(o=0.91,f=-0.4) USER MOD Set 2.1: A 80 THR OG1 : rot 180:sc= 1.26 USER MOD Set 2.2: A 83 SER OG : rot 84:sc= 0.417 USER MOD Set 3.1: A 41 ASN : amide:sc= 1.16 K(o=2,f=-0.17) USER MOD Set 3.2: A 122 GLN : amide:sc= 0.815 K(o=2,f=-1.3) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0707 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -163:sc= -0.371 (180deg=-0.982) USER MOD Single : A 7 MET CE :methyl -172:sc= -1.51 (180deg=-1.52) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= 0.871 (180deg=0.761) USER MOD Single : A 19 LYS NZ :NH3+ 162:sc= 1.25 (180deg=0.586) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 22 ASN : amide:sc= -0.0384 X(o=-0.038,f=-0.34) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -112:sc= -0.553! USER MOD Single : A 25 ASN :FLIP amide:sc= -0.551 F(o=-1.6!,f=-0.55) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 138:sc= 0.677 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 52 SER OG : rot 160:sc= -0.326 USER MOD Single : A 57 TYR OH : rot -24:sc= 0.332 USER MOD Single : A 60 ASN : amide:sc= 0.942 K(o=0.94,f=-4.5!) USER MOD Single : A 68 SER OG : rot -140:sc= 0.0532 USER MOD Single : A 69 SER OG : rot -160:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-8.7e-05) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.01) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN :FLIP amide:sc= -0.269 F(o=-1.6!,f=-0.27) USER MOD Single : A 90 TYR OH : rot -132:sc= 0.977 USER MOD Single : A 93 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.19) USER MOD Single : A 96 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.152 K(o=-0.15,f=-0.78) USER MOD Single : A 99 CYS SG : rot 94:sc= -0.663 USER MOD Single : A 104 SER OG : rot 180:sc= -0.0581 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0591) USER MOD Single : A 108 SER OG : rot -10:sc= 0.28 USER MOD Single : A 116 CYS SG : rot 68:sc= -2.14! USER MOD Single : A 117 SER OG : rot 172:sc= 0 USER MOD Single : B 205 DC O3' : rot 80:sc= 0.17 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.971 -20.787 9.438 1.00 4.24 N ATOM 2 CA GLY A 1 8.672 -20.090 9.593 1.00 3.44 C ATOM 3 C GLY A 1 8.373 -19.194 8.412 1.00 2.58 C ATOM 4 O GLY A 1 8.997 -19.323 7.357 1.00 2.83 O ATOM 0 H1 GLY A 1 9.833 -21.810 9.563 1.00 4.24 H new ATOM 0 H2 GLY A 1 10.353 -20.603 8.488 1.00 4.24 H new ATOM 0 H3 GLY A 1 10.640 -20.438 10.154 1.00 4.24 H new ATOM 0 HA2 GLY A 1 7.875 -20.826 9.702 1.00 3.44 H new ATOM 0 HA3 GLY A 1 8.685 -19.496 10.507 1.00 3.44 H new ATOM 10 N ALA A 2 7.425 -18.287 8.585 1.00 2.09 N ATOM 11 CA ALA A 2 7.042 -17.367 7.527 1.00 1.55 C ATOM 12 C ALA A 2 7.040 -15.938 8.043 1.00 1.26 C ATOM 13 O ALA A 2 6.187 -15.558 8.851 1.00 1.45 O ATOM 14 CB ALA A 2 5.672 -17.734 6.976 1.00 2.08 C ATOM 0 H ALA A 2 6.904 -18.168 9.454 1.00 2.09 H new ATOM 0 HA ALA A 2 7.771 -17.443 6.721 1.00 1.55 H new ATOM 0 HB1 ALA A 2 5.399 -17.036 6.185 1.00 2.08 H new ATOM 0 HB2 ALA A 2 5.701 -18.746 6.573 1.00 2.08 H new ATOM 0 HB3 ALA A 2 4.933 -17.683 7.775 1.00 2.08 H new ATOM 20 N MET A 3 7.996 -15.148 7.589 1.00 1.02 N ATOM 21 CA MET A 3 8.110 -13.771 8.032 1.00 0.92 C ATOM 22 C MET A 3 8.431 -12.869 6.852 1.00 0.65 C ATOM 23 O MET A 3 9.544 -12.885 6.327 1.00 0.82 O ATOM 24 CB MET A 3 9.182 -13.644 9.125 1.00 1.21 C ATOM 25 CG MET A 3 9.232 -12.278 9.803 1.00 1.47 C ATOM 26 SD MET A 3 10.100 -11.027 8.836 1.00 1.88 S ATOM 27 CE MET A 3 9.830 -9.578 9.854 1.00 2.83 C ATOM 0 H MET A 3 8.704 -15.436 6.914 1.00 1.02 H new ATOM 0 HA MET A 3 7.156 -13.458 8.457 1.00 0.92 H new ATOM 0 HB2 MET A 3 9.002 -14.406 9.883 1.00 1.21 H new ATOM 0 HB3 MET A 3 10.157 -13.854 8.686 1.00 1.21 H new ATOM 0 HG2 MET A 3 8.214 -11.938 9.993 1.00 1.47 H new ATOM 0 HG3 MET A 3 9.720 -12.380 10.772 1.00 1.47 H new ATOM 0 HE1 MET A 3 10.307 -8.714 9.391 1.00 2.83 H new ATOM 0 HE2 MET A 3 8.760 -9.394 9.949 1.00 2.83 H new ATOM 0 HE3 MET A 3 10.259 -9.743 10.843 1.00 2.83 H new ATOM 37 N ALA A 4 7.436 -12.108 6.427 1.00 0.46 N ATOM 38 CA ALA A 4 7.613 -11.150 5.353 1.00 0.37 C ATOM 39 C ALA A 4 8.169 -9.842 5.910 1.00 0.34 C ATOM 40 O ALA A 4 7.822 -9.436 7.025 1.00 0.43 O ATOM 41 CB ALA A 4 6.291 -10.919 4.637 1.00 0.57 C ATOM 0 H ALA A 4 6.492 -12.137 6.813 1.00 0.46 H new ATOM 0 HA ALA A 4 8.327 -11.546 4.630 1.00 0.37 H new ATOM 0 HB1 ALA A 4 6.434 -10.198 3.832 1.00 0.57 H new ATOM 0 HB2 ALA A 4 5.933 -11.861 4.221 1.00 0.57 H new ATOM 0 HB3 ALA A 4 5.557 -10.532 5.344 1.00 0.57 H new ATOM 47 N MET A 5 9.023 -9.190 5.138 1.00 0.30 N ATOM 48 CA MET A 5 9.680 -7.965 5.574 1.00 0.33 C ATOM 49 C MET A 5 8.855 -6.742 5.193 1.00 0.34 C ATOM 50 O MET A 5 8.701 -6.437 4.013 1.00 0.34 O ATOM 51 CB MET A 5 11.076 -7.861 4.953 1.00 0.35 C ATOM 52 CG MET A 5 12.070 -8.872 5.499 1.00 0.63 C ATOM 53 SD MET A 5 12.459 -8.592 7.238 1.00 1.25 S ATOM 54 CE MET A 5 13.105 -6.921 7.176 1.00 0.90 C ATOM 0 H MET A 5 9.280 -9.491 4.198 1.00 0.30 H new ATOM 0 HA MET A 5 9.772 -7.999 6.660 1.00 0.33 H new ATOM 0 HB2 MET A 5 10.994 -7.993 3.874 1.00 0.35 H new ATOM 0 HB3 MET A 5 11.464 -6.857 5.122 1.00 0.35 H new ATOM 0 HG2 MET A 5 11.664 -9.877 5.378 1.00 0.63 H new ATOM 0 HG3 MET A 5 12.988 -8.826 4.913 1.00 0.63 H new ATOM 0 HE1 MET A 5 13.660 -6.711 8.090 1.00 0.90 H new ATOM 0 HE2 MET A 5 13.768 -6.819 6.317 1.00 0.90 H new ATOM 0 HE3 MET A 5 12.280 -6.215 7.083 1.00 0.90 H new ATOM 64 N PRO A 6 8.312 -6.029 6.196 1.00 0.41 N ATOM 65 CA PRO A 6 7.493 -4.830 5.974 1.00 0.46 C ATOM 66 C PRO A 6 8.179 -3.832 5.046 1.00 0.39 C ATOM 67 O PRO A 6 9.349 -3.498 5.231 1.00 0.38 O ATOM 68 CB PRO A 6 7.344 -4.243 7.378 1.00 0.58 C ATOM 69 CG PRO A 6 7.476 -5.413 8.288 1.00 0.61 C ATOM 70 CD PRO A 6 8.459 -6.339 7.630 1.00 0.49 C ATOM 0 HA PRO A 6 6.543 -5.062 5.492 1.00 0.46 H new ATOM 0 HB2 PRO A 6 8.111 -3.496 7.579 1.00 0.58 H new ATOM 0 HB3 PRO A 6 6.379 -3.751 7.502 1.00 0.58 H new ATOM 0 HG2 PRO A 6 7.829 -5.104 9.272 1.00 0.61 H new ATOM 0 HG3 PRO A 6 6.514 -5.904 8.434 1.00 0.61 H new ATOM 0 HD2 PRO A 6 9.476 -6.159 7.978 1.00 0.49 H new ATOM 0 HD3 PRO A 6 8.230 -7.384 7.841 1.00 0.49 H new ATOM 78 N MET A 7 7.421 -3.366 4.050 1.00 0.37 N ATOM 79 CA MET A 7 7.944 -2.509 2.989 1.00 0.32 C ATOM 80 C MET A 7 8.601 -1.251 3.526 1.00 0.29 C ATOM 81 O MET A 7 9.612 -0.807 2.993 1.00 0.28 O ATOM 82 CB MET A 7 6.832 -2.131 2.023 1.00 0.40 C ATOM 83 CG MET A 7 6.931 -2.841 0.688 1.00 0.37 C ATOM 84 SD MET A 7 8.394 -2.328 -0.234 1.00 1.39 S ATOM 85 CE MET A 7 8.010 -2.962 -1.860 1.00 0.77 C ATOM 0 H MET A 7 6.427 -3.574 3.959 1.00 0.37 H new ATOM 0 HA MET A 7 8.711 -3.083 2.469 1.00 0.32 H new ATOM 0 HB2 MET A 7 5.870 -2.362 2.479 1.00 0.40 H new ATOM 0 HB3 MET A 7 6.855 -1.054 1.857 1.00 0.40 H new ATOM 0 HG2 MET A 7 6.963 -3.918 0.850 1.00 0.37 H new ATOM 0 HG3 MET A 7 6.038 -2.633 0.098 1.00 0.37 H new ATOM 0 HE1 MET A 7 8.879 -2.850 -2.509 1.00 0.77 H new ATOM 0 HE2 MET A 7 7.746 -4.017 -1.786 1.00 0.77 H new ATOM 0 HE3 MET A 7 7.171 -2.406 -2.278 1.00 0.77 H new ATOM 95 N ILE A 8 8.031 -0.678 4.574 1.00 0.30 N ATOM 96 CA ILE A 8 8.599 0.517 5.176 1.00 0.27 C ATOM 97 C ILE A 8 9.979 0.217 5.750 1.00 0.30 C ATOM 98 O ILE A 8 10.920 0.979 5.544 1.00 0.34 O ATOM 99 CB ILE A 8 7.668 1.105 6.262 1.00 0.29 C ATOM 100 CG1 ILE A 8 6.436 1.735 5.604 1.00 0.29 C ATOM 101 CG2 ILE A 8 8.396 2.124 7.130 1.00 0.38 C ATOM 102 CD1 ILE A 8 6.765 2.814 4.588 1.00 0.36 C ATOM 0 H ILE A 8 7.181 -1.019 5.023 1.00 0.30 H new ATOM 0 HA ILE A 8 8.702 1.269 4.394 1.00 0.27 H new ATOM 0 HB ILE A 8 7.348 0.293 6.914 1.00 0.29 H new ATOM 0 HG12 ILE A 8 5.858 0.952 5.113 1.00 0.29 H new ATOM 0 HG13 ILE A 8 5.800 2.162 6.380 1.00 0.29 H new ATOM 0 HG21 ILE A 8 7.712 2.516 7.882 1.00 0.38 H new ATOM 0 HG22 ILE A 8 9.241 1.644 7.624 1.00 0.38 H new ATOM 0 HG23 ILE A 8 8.757 2.942 6.506 1.00 0.38 H new ATOM 0 HD11 ILE A 8 5.841 3.211 4.167 1.00 0.36 H new ATOM 0 HD12 ILE A 8 7.316 3.618 5.076 1.00 0.36 H new ATOM 0 HD13 ILE A 8 7.374 2.389 3.790 1.00 0.36 H new ATOM 114 N GLU A 9 10.109 -0.920 6.423 1.00 0.32 N ATOM 115 CA GLU A 9 11.379 -1.304 7.023 1.00 0.39 C ATOM 116 C GLU A 9 12.367 -1.740 5.942 1.00 0.34 C ATOM 117 O GLU A 9 13.577 -1.552 6.078 1.00 0.37 O ATOM 118 CB GLU A 9 11.169 -2.422 8.040 1.00 0.53 C ATOM 119 CG GLU A 9 12.399 -2.712 8.878 1.00 0.66 C ATOM 120 CD GLU A 9 12.114 -3.693 9.988 1.00 0.87 C ATOM 121 OE1 GLU A 9 11.228 -3.417 10.820 1.00 1.20 O ATOM 122 OE2 GLU A 9 12.778 -4.750 10.035 1.00 1.67 O ATOM 0 H GLU A 9 9.353 -1.590 6.566 1.00 0.32 H new ATOM 0 HA GLU A 9 11.795 -0.440 7.542 1.00 0.39 H new ATOM 0 HB2 GLU A 9 10.344 -2.153 8.700 1.00 0.53 H new ATOM 0 HB3 GLU A 9 10.874 -3.330 7.515 1.00 0.53 H new ATOM 0 HG2 GLU A 9 13.187 -3.109 8.238 1.00 0.66 H new ATOM 0 HG3 GLU A 9 12.773 -1.782 9.305 1.00 0.66 H new ATOM 129 N TYR A 10 11.836 -2.319 4.866 1.00 0.33 N ATOM 130 CA TYR A 10 12.643 -2.673 3.704 1.00 0.33 C ATOM 131 C TYR A 10 13.256 -1.405 3.117 1.00 0.33 C ATOM 132 O TYR A 10 14.399 -1.398 2.657 1.00 0.40 O ATOM 133 CB TYR A 10 11.789 -3.391 2.649 1.00 0.37 C ATOM 134 CG TYR A 10 12.599 -3.992 1.521 1.00 0.45 C ATOM 135 CD1 TYR A 10 13.315 -5.165 1.712 1.00 0.56 C ATOM 136 CD2 TYR A 10 12.658 -3.384 0.271 1.00 0.50 C ATOM 137 CE1 TYR A 10 14.064 -5.718 0.695 1.00 0.67 C ATOM 138 CE2 TYR A 10 13.407 -3.932 -0.751 1.00 0.60 C ATOM 139 CZ TYR A 10 14.107 -5.099 -0.535 1.00 0.68 C ATOM 140 OH TYR A 10 14.857 -5.649 -1.549 1.00 0.80 O ATOM 0 H TYR A 10 10.847 -2.553 4.777 1.00 0.33 H new ATOM 0 HA TYR A 10 13.437 -3.353 4.012 1.00 0.33 H new ATOM 0 HB2 TYR A 10 11.215 -4.181 3.134 1.00 0.37 H new ATOM 0 HB3 TYR A 10 11.071 -2.685 2.233 1.00 0.37 H new ATOM 0 HD1 TYR A 10 13.285 -5.654 2.675 1.00 0.56 H new ATOM 0 HD2 TYR A 10 12.110 -2.470 0.098 1.00 0.50 H new ATOM 0 HE1 TYR A 10 14.614 -6.632 0.862 1.00 0.67 H new ATOM 0 HE2 TYR A 10 13.444 -3.448 -1.716 1.00 0.60 H new ATOM 0 HH TYR A 10 14.780 -5.092 -2.352 1.00 0.80 H new ATOM 150 N LEU A 11 12.480 -0.329 3.149 1.00 0.33 N ATOM 151 CA LEU A 11 12.946 0.978 2.712 1.00 0.40 C ATOM 152 C LEU A 11 13.998 1.523 3.670 1.00 0.41 C ATOM 153 O LEU A 11 15.069 1.952 3.241 1.00 0.51 O ATOM 154 CB LEU A 11 11.771 1.951 2.608 1.00 0.47 C ATOM 155 CG LEU A 11 10.709 1.573 1.572 1.00 0.82 C ATOM 156 CD1 LEU A 11 9.488 2.466 1.705 1.00 1.30 C ATOM 157 CD2 LEU A 11 11.276 1.660 0.163 1.00 1.45 C ATOM 0 H LEU A 11 11.514 -0.339 3.477 1.00 0.33 H new ATOM 0 HA LEU A 11 13.401 0.869 1.728 1.00 0.40 H new ATOM 0 HB2 LEU A 11 11.294 2.027 3.585 1.00 0.47 H new ATOM 0 HB3 LEU A 11 12.158 2.940 2.365 1.00 0.47 H new ATOM 0 HG LEU A 11 10.406 0.543 1.759 1.00 0.82 H new ATOM 0 HD11 LEU A 11 8.746 2.181 0.960 1.00 1.30 H new ATOM 0 HD12 LEU A 11 9.062 2.354 2.702 1.00 1.30 H new ATOM 0 HD13 LEU A 11 9.778 3.505 1.549 1.00 1.30 H new ATOM 0 HD21 LEU A 11 10.505 1.387 -0.557 1.00 1.45 H new ATOM 0 HD22 LEU A 11 11.611 2.679 -0.032 1.00 1.45 H new ATOM 0 HD23 LEU A 11 12.120 0.976 0.067 1.00 1.45 H new ATOM 169 N GLU A 12 13.695 1.481 4.964 1.00 0.39 N ATOM 170 CA GLU A 12 14.601 1.998 5.991 1.00 0.50 C ATOM 171 C GLU A 12 15.973 1.335 5.902 1.00 0.53 C ATOM 172 O GLU A 12 16.998 2.006 5.775 1.00 0.61 O ATOM 173 CB GLU A 12 14.026 1.753 7.392 1.00 0.59 C ATOM 174 CG GLU A 12 12.621 2.290 7.597 1.00 0.65 C ATOM 175 CD GLU A 12 12.073 1.988 8.978 1.00 0.74 C ATOM 176 OE1 GLU A 12 12.364 0.897 9.511 1.00 0.90 O ATOM 177 OE2 GLU A 12 11.345 2.835 9.540 1.00 1.41 O ATOM 0 H GLU A 12 12.826 1.093 5.330 1.00 0.39 H new ATOM 0 HA GLU A 12 14.708 3.069 5.818 1.00 0.50 H new ATOM 0 HB2 GLU A 12 14.024 0.681 7.588 1.00 0.59 H new ATOM 0 HB3 GLU A 12 14.687 2.210 8.128 1.00 0.59 H new ATOM 0 HG2 GLU A 12 12.622 3.369 7.439 1.00 0.65 H new ATOM 0 HG3 GLU A 12 11.959 1.859 6.846 1.00 0.65 H new ATOM 184 N ARG A 13 15.979 0.014 5.964 1.00 0.50 N ATOM 185 CA ARG A 13 17.216 -0.746 6.052 1.00 0.57 C ATOM 186 C ARG A 13 17.907 -0.917 4.699 1.00 0.60 C ATOM 187 O ARG A 13 19.118 -0.725 4.584 1.00 0.69 O ATOM 188 CB ARG A 13 16.939 -2.120 6.657 1.00 0.58 C ATOM 189 CG ARG A 13 16.327 -2.065 8.048 1.00 0.61 C ATOM 190 CD ARG A 13 16.123 -3.460 8.616 1.00 0.65 C ATOM 191 NE ARG A 13 17.384 -4.199 8.686 1.00 1.36 N ATOM 192 CZ ARG A 13 17.483 -5.523 8.629 1.00 1.54 C ATOM 193 NH1 ARG A 13 16.389 -6.274 8.558 1.00 1.16 N ATOM 194 NH2 ARG A 13 18.683 -6.093 8.660 1.00 2.57 N ATOM 0 H ARG A 13 15.135 -0.558 5.955 1.00 0.50 H new ATOM 0 HA ARG A 13 17.891 -0.177 6.691 1.00 0.57 H new ATOM 0 HB2 ARG A 13 16.268 -2.669 5.996 1.00 0.58 H new ATOM 0 HB3 ARG A 13 17.872 -2.682 6.702 1.00 0.58 H new ATOM 0 HG2 ARG A 13 16.975 -1.491 8.711 1.00 0.61 H new ATOM 0 HG3 ARG A 13 15.371 -1.543 8.007 1.00 0.61 H new ATOM 0 HD2 ARG A 13 15.686 -3.388 9.612 1.00 0.65 H new ATOM 0 HD3 ARG A 13 15.413 -4.007 7.995 1.00 0.65 H new ATOM 0 HE ARG A 13 18.245 -3.662 8.785 1.00 1.36 H new ATOM 0 HH11 ARG A 13 15.469 -5.835 8.547 1.00 1.16 H new ATOM 0 HH12 ARG A 13 16.470 -7.290 8.514 1.00 1.16 H new ATOM 0 HH21 ARG A 13 19.521 -5.515 8.727 1.00 2.57 H new ATOM 0 HH22 ARG A 13 18.766 -7.109 8.617 1.00 2.57 H new ATOM 208 N PHE A 14 17.147 -1.284 3.678 1.00 0.58 N ATOM 209 CA PHE A 14 17.744 -1.696 2.411 1.00 0.68 C ATOM 210 C PHE A 14 17.671 -0.607 1.341 1.00 0.75 C ATOM 211 O PHE A 14 18.698 -0.137 0.858 1.00 0.96 O ATOM 212 CB PHE A 14 17.060 -2.966 1.891 1.00 0.68 C ATOM 213 CG PHE A 14 17.102 -4.123 2.852 1.00 0.72 C ATOM 214 CD1 PHE A 14 18.157 -5.022 2.828 1.00 0.88 C ATOM 215 CD2 PHE A 14 16.091 -4.308 3.782 1.00 0.69 C ATOM 216 CE1 PHE A 14 18.204 -6.082 3.711 1.00 0.98 C ATOM 217 CE2 PHE A 14 16.133 -5.369 4.668 1.00 0.79 C ATOM 218 CZ PHE A 14 17.169 -6.265 4.624 1.00 0.93 C ATOM 0 H PHE A 14 16.127 -1.306 3.698 1.00 0.58 H new ATOM 0 HA PHE A 14 18.798 -1.890 2.611 1.00 0.68 H new ATOM 0 HB2 PHE A 14 16.020 -2.737 1.660 1.00 0.68 H new ATOM 0 HB3 PHE A 14 17.536 -3.266 0.957 1.00 0.68 H new ATOM 0 HD1 PHE A 14 18.952 -4.891 2.109 1.00 0.88 H new ATOM 0 HD2 PHE A 14 15.262 -3.617 3.815 1.00 0.69 H new ATOM 0 HE1 PHE A 14 19.040 -6.766 3.694 1.00 0.98 H new ATOM 0 HE2 PHE A 14 15.346 -5.492 5.398 1.00 0.79 H new ATOM 0 HZ PHE A 14 17.183 -7.111 5.296 1.00 0.93 H new ATOM 228 N SER A 15 16.459 -0.201 0.988 1.00 0.69 N ATOM 229 CA SER A 15 16.245 0.629 -0.193 1.00 0.83 C ATOM 230 C SER A 15 16.770 2.057 -0.024 1.00 0.91 C ATOM 231 O SER A 15 17.513 2.551 -0.872 1.00 1.07 O ATOM 232 CB SER A 15 14.758 0.653 -0.552 1.00 0.81 C ATOM 233 OG SER A 15 14.535 1.293 -1.798 1.00 1.37 O ATOM 0 H SER A 15 15.608 -0.432 1.501 1.00 0.69 H new ATOM 0 HA SER A 15 16.817 0.179 -1.005 1.00 0.83 H new ATOM 0 HB2 SER A 15 14.376 -0.367 -0.592 1.00 0.81 H new ATOM 0 HB3 SER A 15 14.202 1.171 0.229 1.00 0.81 H new ATOM 0 HG SER A 15 13.576 1.291 -2.000 1.00 1.37 H new ATOM 239 N LEU A 16 16.391 2.717 1.058 1.00 0.84 N ATOM 240 CA LEU A 16 16.673 4.139 1.204 1.00 0.95 C ATOM 241 C LEU A 16 17.854 4.407 2.123 1.00 0.98 C ATOM 242 O LEU A 16 18.530 5.430 1.989 1.00 1.12 O ATOM 243 CB LEU A 16 15.443 4.863 1.746 1.00 0.94 C ATOM 244 CG LEU A 16 14.182 4.732 0.896 1.00 0.99 C ATOM 245 CD1 LEU A 16 13.009 5.372 1.612 1.00 0.95 C ATOM 246 CD2 LEU A 16 14.386 5.367 -0.472 1.00 1.22 C ATOM 0 H LEU A 16 15.892 2.298 1.842 1.00 0.84 H new ATOM 0 HA LEU A 16 16.929 4.514 0.213 1.00 0.95 H new ATOM 0 HB2 LEU A 16 15.229 4.483 2.745 1.00 0.94 H new ATOM 0 HB3 LEU A 16 15.682 5.921 1.852 1.00 0.94 H new ATOM 0 HG LEU A 16 13.969 3.674 0.747 1.00 0.99 H new ATOM 0 HD11 LEU A 16 12.112 5.275 1.000 1.00 0.95 H new ATOM 0 HD12 LEU A 16 12.851 4.874 2.569 1.00 0.95 H new ATOM 0 HD13 LEU A 16 13.219 6.428 1.783 1.00 0.95 H new ATOM 0 HD21 LEU A 16 13.475 5.262 -1.061 1.00 1.22 H new ATOM 0 HD22 LEU A 16 14.620 6.425 -0.351 1.00 1.22 H new ATOM 0 HD23 LEU A 16 15.209 4.870 -0.985 1.00 1.22 H new ATOM 258 N LYS A 17 18.085 3.487 3.065 1.00 0.88 N ATOM 259 CA LYS A 17 19.105 3.659 4.104 1.00 0.96 C ATOM 260 C LYS A 17 18.717 4.808 5.027 1.00 1.01 C ATOM 261 O LYS A 17 19.541 5.341 5.772 1.00 1.13 O ATOM 262 CB LYS A 17 20.485 3.916 3.488 1.00 1.12 C ATOM 263 CG LYS A 17 20.983 2.786 2.600 1.00 1.09 C ATOM 264 CD LYS A 17 21.119 1.489 3.375 1.00 1.00 C ATOM 265 CE LYS A 17 21.524 0.341 2.468 1.00 1.08 C ATOM 266 NZ LYS A 17 21.644 -0.938 3.213 1.00 1.20 N ATOM 0 H LYS A 17 17.573 2.607 3.129 1.00 0.88 H new ATOM 0 HA LYS A 17 19.162 2.737 4.683 1.00 0.96 H new ATOM 0 HB2 LYS A 17 20.445 4.835 2.903 1.00 1.12 H new ATOM 0 HB3 LYS A 17 21.205 4.080 4.290 1.00 1.12 H new ATOM 0 HG2 LYS A 17 20.292 2.644 1.769 1.00 1.09 H new ATOM 0 HG3 LYS A 17 21.947 3.057 2.170 1.00 1.09 H new ATOM 0 HD2 LYS A 17 21.862 1.611 4.164 1.00 1.00 H new ATOM 0 HD3 LYS A 17 20.173 1.253 3.862 1.00 1.00 H new ATOM 0 HE2 LYS A 17 20.787 0.230 1.672 1.00 1.08 H new ATOM 0 HE3 LYS A 17 22.476 0.574 1.991 1.00 1.08 H new ATOM 0 HZ1 LYS A 17 21.720 -1.726 2.539 1.00 1.20 H new ATOM 0 HZ2 LYS A 17 22.493 -0.912 3.813 1.00 1.20 H new ATOM 0 HZ3 LYS A 17 20.803 -1.073 3.809 1.00 1.20 H new ATOM 280 N ALA A 18 17.448 5.178 4.962 1.00 0.97 N ATOM 281 CA ALA A 18 16.914 6.282 5.741 1.00 1.05 C ATOM 282 C ALA A 18 15.719 5.821 6.563 1.00 0.85 C ATOM 283 O ALA A 18 14.875 5.069 6.077 1.00 0.93 O ATOM 284 CB ALA A 18 16.516 7.429 4.823 1.00 1.21 C ATOM 0 H ALA A 18 16.758 4.720 4.366 1.00 0.97 H new ATOM 0 HA ALA A 18 17.688 6.634 6.423 1.00 1.05 H new ATOM 0 HB1 ALA A 18 16.117 8.250 5.419 1.00 1.21 H new ATOM 0 HB2 ALA A 18 17.390 7.773 4.270 1.00 1.21 H new ATOM 0 HB3 ALA A 18 15.755 7.087 4.122 1.00 1.21 H new ATOM 290 N LYS A 19 15.664 6.268 7.807 1.00 0.94 N ATOM 291 CA LYS A 19 14.574 5.916 8.706 1.00 0.87 C ATOM 292 C LYS A 19 13.275 6.558 8.233 1.00 0.66 C ATOM 293 O LYS A 19 13.233 7.761 7.961 1.00 0.72 O ATOM 294 CB LYS A 19 14.902 6.360 10.136 1.00 1.18 C ATOM 295 CG LYS A 19 13.802 6.065 11.144 1.00 1.36 C ATOM 296 CD LYS A 19 13.504 4.578 11.235 1.00 1.62 C ATOM 297 CE LYS A 19 12.347 4.295 12.178 1.00 1.96 C ATOM 298 NZ LYS A 19 11.942 2.866 12.137 1.00 2.32 N ATOM 0 H LYS A 19 16.367 6.880 8.221 1.00 0.94 H new ATOM 0 HA LYS A 19 14.449 4.833 8.700 1.00 0.87 H new ATOM 0 HB2 LYS A 19 15.818 5.865 10.458 1.00 1.18 H new ATOM 0 HB3 LYS A 19 15.102 7.431 10.136 1.00 1.18 H new ATOM 0 HG2 LYS A 19 14.098 6.437 12.125 1.00 1.36 H new ATOM 0 HG3 LYS A 19 12.896 6.601 10.860 1.00 1.36 H new ATOM 0 HD2 LYS A 19 13.268 4.192 10.243 1.00 1.62 H new ATOM 0 HD3 LYS A 19 14.392 4.049 11.580 1.00 1.62 H new ATOM 0 HE2 LYS A 19 12.632 4.563 13.195 1.00 1.96 H new ATOM 0 HE3 LYS A 19 11.497 4.922 11.910 1.00 1.96 H new ATOM 0 HZ1 LYS A 19 11.381 2.640 12.983 1.00 2.32 H new ATOM 0 HZ2 LYS A 19 11.371 2.691 11.285 1.00 2.32 H new ATOM 0 HZ3 LYS A 19 12.791 2.265 12.114 1.00 2.32 H new ATOM 312 N ILE A 20 12.223 5.758 8.137 1.00 0.55 N ATOM 313 CA ILE A 20 10.959 6.235 7.611 1.00 0.46 C ATOM 314 C ILE A 20 10.033 6.714 8.724 1.00 0.53 C ATOM 315 O ILE A 20 9.581 5.937 9.567 1.00 0.66 O ATOM 316 CB ILE A 20 10.247 5.157 6.770 1.00 0.51 C ATOM 317 CG1 ILE A 20 11.113 4.791 5.549 1.00 0.43 C ATOM 318 CG2 ILE A 20 8.860 5.637 6.352 1.00 0.70 C ATOM 319 CD1 ILE A 20 10.486 5.114 4.210 1.00 0.77 C ATOM 0 H ILE A 20 12.223 4.777 8.417 1.00 0.55 H new ATOM 0 HA ILE A 20 11.192 7.080 6.964 1.00 0.46 H new ATOM 0 HB ILE A 20 10.114 4.259 7.373 1.00 0.51 H new ATOM 0 HG12 ILE A 20 12.065 5.316 5.625 1.00 0.43 H new ATOM 0 HG13 ILE A 20 11.334 3.724 5.584 1.00 0.43 H new ATOM 0 HG21 ILE A 20 8.371 4.864 5.759 1.00 0.70 H new ATOM 0 HG22 ILE A 20 8.264 5.844 7.241 1.00 0.70 H new ATOM 0 HG23 ILE A 20 8.953 6.546 5.757 1.00 0.70 H new ATOM 0 HD11 ILE A 20 11.166 4.822 3.410 1.00 0.77 H new ATOM 0 HD12 ILE A 20 9.548 4.568 4.106 1.00 0.77 H new ATOM 0 HD13 ILE A 20 10.291 6.185 4.148 1.00 0.77 H new ATOM 331 N ASN A 21 9.778 8.008 8.713 1.00 0.51 N ATOM 332 CA ASN A 21 8.809 8.627 9.594 1.00 0.59 C ATOM 333 C ASN A 21 7.736 9.274 8.732 1.00 0.67 C ATOM 334 O ASN A 21 7.674 9.010 7.532 1.00 0.69 O ATOM 335 CB ASN A 21 9.464 9.694 10.479 1.00 0.63 C ATOM 336 CG ASN A 21 10.552 9.154 11.388 1.00 1.26 C ATOM 337 OD1 ASN A 21 10.514 8.002 11.822 1.00 2.19 O ATOM 338 ND2 ASN A 21 11.527 9.995 11.691 1.00 1.85 N ATOM 0 H ASN A 21 10.243 8.665 8.086 1.00 0.51 H new ATOM 0 HA ASN A 21 8.381 7.867 10.248 1.00 0.59 H new ATOM 0 HB2 ASN A 21 9.888 10.470 9.842 1.00 0.63 H new ATOM 0 HB3 ASN A 21 8.695 10.168 11.090 1.00 0.63 H new ATOM 0 HD21 ASN A 21 12.285 9.697 12.305 1.00 1.85 H new ATOM 0 HD22 ASN A 21 11.521 10.941 11.310 1.00 1.85 H new ATOM 345 N ASN A 22 6.915 10.136 9.308 1.00 0.78 N ATOM 346 CA ASN A 22 5.904 10.832 8.518 1.00 0.97 C ATOM 347 C ASN A 22 6.556 11.914 7.653 1.00 0.99 C ATOM 348 O ASN A 22 5.939 12.444 6.727 1.00 1.18 O ATOM 349 CB ASN A 22 4.827 11.449 9.422 1.00 1.13 C ATOM 350 CG ASN A 22 5.148 12.869 9.863 1.00 1.38 C ATOM 351 OD1 ASN A 22 4.776 13.834 9.200 1.00 1.80 O ATOM 352 ND2 ASN A 22 5.835 13.008 10.984 1.00 2.01 N ATOM 0 H ASN A 22 6.924 10.370 10.301 1.00 0.78 H new ATOM 0 HA ASN A 22 5.423 10.103 7.866 1.00 0.97 H new ATOM 0 HB2 ASN A 22 3.874 11.448 8.892 1.00 1.13 H new ATOM 0 HB3 ASN A 22 4.702 10.822 10.305 1.00 1.13 H new ATOM 0 HD21 ASN A 22 6.073 13.940 11.324 1.00 2.01 H new ATOM 0 HD22 ASN A 22 6.127 12.184 11.509 1.00 2.01 H new ATOM 359 N THR A 23 7.815 12.225 7.954 1.00 0.90 N ATOM 360 CA THR A 23 8.521 13.301 7.275 1.00 1.04 C ATOM 361 C THR A 23 9.646 12.794 6.368 1.00 0.91 C ATOM 362 O THR A 23 10.489 13.577 5.926 1.00 0.91 O ATOM 363 CB THR A 23 9.094 14.302 8.294 1.00 1.27 C ATOM 364 OG1 THR A 23 9.672 13.602 9.410 1.00 1.39 O ATOM 365 CG2 THR A 23 8.010 15.246 8.788 1.00 1.78 C ATOM 0 H THR A 23 8.365 11.744 8.666 1.00 0.90 H new ATOM 0 HA THR A 23 7.786 13.797 6.641 1.00 1.04 H new ATOM 0 HB THR A 23 9.868 14.886 7.797 1.00 1.27 H new ATOM 0 HG1 THR A 23 10.034 14.250 10.050 1.00 1.39 H new ATOM 0 HG21 THR A 23 8.436 15.945 9.507 1.00 1.78 H new ATOM 0 HG22 THR A 23 7.598 15.800 7.945 1.00 1.78 H new ATOM 0 HG23 THR A 23 7.217 14.671 9.267 1.00 1.78 H new ATOM 373 N THR A 24 9.663 11.499 6.082 1.00 0.92 N ATOM 374 CA THR A 24 10.650 10.951 5.161 1.00 0.90 C ATOM 375 C THR A 24 10.259 11.290 3.727 1.00 0.80 C ATOM 376 O THR A 24 9.119 11.071 3.316 1.00 1.03 O ATOM 377 CB THR A 24 10.795 9.432 5.330 1.00 1.18 C ATOM 378 OG1 THR A 24 11.063 9.136 6.703 1.00 1.68 O ATOM 379 CG2 THR A 24 11.927 8.889 4.468 1.00 1.42 C ATOM 0 H THR A 24 9.013 10.815 6.469 1.00 0.92 H new ATOM 0 HA THR A 24 11.616 11.401 5.389 1.00 0.90 H new ATOM 0 HB THR A 24 9.865 8.959 5.014 1.00 1.18 H new ATOM 0 HG1 THR A 24 11.975 8.788 6.791 1.00 1.68 H new ATOM 0 HG21 THR A 24 12.006 7.811 4.608 1.00 1.42 H new ATOM 0 HG22 THR A 24 11.721 9.104 3.419 1.00 1.42 H new ATOM 0 HG23 THR A 24 12.865 9.362 4.758 1.00 1.42 H new ATOM 387 N ASN A 25 11.206 11.817 2.970 1.00 0.71 N ATOM 388 CA ASN A 25 10.911 12.373 1.655 1.00 0.76 C ATOM 389 C ASN A 25 11.135 11.337 0.559 1.00 0.77 C ATOM 390 O ASN A 25 11.870 11.564 -0.402 1.00 0.87 O ATOM 391 CB ASN A 25 11.782 13.610 1.414 1.00 0.90 C ATOM 392 CG ASN A 25 11.343 14.430 0.213 1.00 1.23 C ATOM 393 OD1 ASN A 25 10.049 14.446 -0.063 1.00 1.82 O flip ATOM 394 ND2 ASN A 25 12.166 15.051 -0.460 1.00 1.98 N flip ATOM 0 H ASN A 25 12.188 11.873 3.241 1.00 0.71 H new ATOM 0 HA ASN A 25 9.861 12.663 1.625 1.00 0.76 H new ATOM 0 HB2 ASN A 25 11.760 14.240 2.303 1.00 0.90 H new ATOM 0 HB3 ASN A 25 12.816 13.296 1.272 1.00 0.90 H new ATOM 0 HD21 ASN A 25 13.156 15.015 -0.216 1.00 1.98 H new ATOM 0 HD22 ASN A 25 11.858 15.602 -1.261 1.00 1.98 H new ATOM 401 N LEU A 26 10.505 10.184 0.722 1.00 0.79 N ATOM 402 CA LEU A 26 10.592 9.121 -0.270 1.00 0.82 C ATOM 403 C LEU A 26 9.469 9.251 -1.291 1.00 0.74 C ATOM 404 O LEU A 26 9.424 8.513 -2.273 1.00 0.74 O ATOM 405 CB LEU A 26 10.517 7.742 0.391 1.00 1.09 C ATOM 406 CG LEU A 26 9.174 7.397 1.029 1.00 1.55 C ATOM 407 CD1 LEU A 26 8.967 5.897 1.020 1.00 2.31 C ATOM 408 CD2 LEU A 26 9.094 7.929 2.451 1.00 2.48 C ATOM 0 H LEU A 26 9.927 9.959 1.532 1.00 0.79 H new ATOM 0 HA LEU A 26 11.554 9.218 -0.773 1.00 0.82 H new ATOM 0 HB2 LEU A 26 10.750 6.985 -0.358 1.00 1.09 H new ATOM 0 HB3 LEU A 26 11.291 7.682 1.157 1.00 1.09 H new ATOM 0 HG LEU A 26 8.385 7.871 0.445 1.00 1.55 H new ATOM 0 HD11 LEU A 26 8.006 5.660 1.477 1.00 2.31 H new ATOM 0 HD12 LEU A 26 8.979 5.534 -0.008 1.00 2.31 H new ATOM 0 HD13 LEU A 26 9.766 5.416 1.584 1.00 2.31 H new ATOM 0 HD21 LEU A 26 8.127 7.670 2.883 1.00 2.48 H new ATOM 0 HD22 LEU A 26 9.890 7.486 3.050 1.00 2.48 H new ATOM 0 HD23 LEU A 26 9.208 9.013 2.441 1.00 2.48 H new ATOM 420 N ASP A 27 8.567 10.194 -1.048 1.00 0.78 N ATOM 421 CA ASP A 27 7.380 10.368 -1.881 1.00 0.89 C ATOM 422 C ASP A 27 7.752 10.795 -3.299 1.00 0.81 C ATOM 423 O ASP A 27 7.218 10.266 -4.273 1.00 0.99 O ATOM 424 CB ASP A 27 6.424 11.383 -1.244 1.00 1.04 C ATOM 425 CG ASP A 27 7.098 12.694 -0.898 1.00 1.41 C ATOM 426 OD1 ASP A 27 8.000 12.687 -0.032 1.00 1.43 O ATOM 427 OD2 ASP A 27 6.730 13.731 -1.487 1.00 2.18 O ATOM 0 H ASP A 27 8.635 10.856 -0.275 1.00 0.78 H new ATOM 0 HA ASP A 27 6.874 9.405 -1.948 1.00 0.89 H new ATOM 0 HB2 ASP A 27 5.598 11.575 -1.929 1.00 1.04 H new ATOM 0 HB3 ASP A 27 5.995 10.952 -0.340 1.00 1.04 H new ATOM 432 N TYR A 28 8.689 11.726 -3.421 1.00 0.70 N ATOM 433 CA TYR A 28 9.131 12.182 -4.734 1.00 0.82 C ATOM 434 C TYR A 28 10.002 11.129 -5.411 1.00 0.69 C ATOM 435 O TYR A 28 10.185 11.149 -6.628 1.00 0.83 O ATOM 436 CB TYR A 28 9.884 13.510 -4.628 1.00 1.02 C ATOM 437 CG TYR A 28 9.007 14.662 -4.193 1.00 1.16 C ATOM 438 CD1 TYR A 28 8.069 15.209 -5.055 1.00 1.32 C ATOM 439 CD2 TYR A 28 9.121 15.206 -2.920 1.00 1.24 C ATOM 440 CE1 TYR A 28 7.268 16.265 -4.664 1.00 1.48 C ATOM 441 CE2 TYR A 28 8.325 16.262 -2.522 1.00 1.38 C ATOM 442 CZ TYR A 28 7.388 16.777 -3.390 1.00 1.47 C ATOM 443 OH TYR A 28 6.609 17.846 -3.005 1.00 1.64 O ATOM 0 H TYR A 28 9.155 12.178 -2.634 1.00 0.70 H new ATOM 0 HA TYR A 28 8.244 12.340 -5.347 1.00 0.82 H new ATOM 0 HB2 TYR A 28 10.704 13.399 -3.919 1.00 1.02 H new ATOM 0 HB3 TYR A 28 10.328 13.746 -5.595 1.00 1.02 H new ATOM 0 HD1 TYR A 28 7.962 14.803 -6.050 1.00 1.32 H new ATOM 0 HD2 TYR A 28 9.844 14.796 -2.230 1.00 1.24 H new ATOM 0 HE1 TYR A 28 6.552 16.687 -5.353 1.00 1.48 H new ATOM 0 HE2 TYR A 28 8.437 16.682 -1.534 1.00 1.38 H new ATOM 0 HH TYR A 28 6.815 18.084 -2.077 1.00 1.64 H new ATOM 453 N SER A 29 10.523 10.201 -4.622 1.00 0.52 N ATOM 454 CA SER A 29 11.354 9.130 -5.148 1.00 0.50 C ATOM 455 C SER A 29 10.501 7.924 -5.510 1.00 0.43 C ATOM 456 O SER A 29 10.921 7.067 -6.280 1.00 0.43 O ATOM 457 CB SER A 29 12.401 8.718 -4.115 1.00 0.53 C ATOM 458 OG SER A 29 13.103 9.847 -3.626 1.00 0.61 O ATOM 0 H SER A 29 10.384 10.169 -3.612 1.00 0.52 H new ATOM 0 HA SER A 29 11.855 9.495 -6.045 1.00 0.50 H new ATOM 0 HB2 SER A 29 11.916 8.200 -3.287 1.00 0.53 H new ATOM 0 HB3 SER A 29 13.103 8.015 -4.564 1.00 0.53 H new ATOM 0 HG SER A 29 13.767 9.559 -2.965 1.00 0.61 H new ATOM 464 N ARG A 30 9.292 7.878 -4.961 1.00 0.42 N ATOM 465 CA ARG A 30 8.406 6.730 -5.123 1.00 0.40 C ATOM 466 C ARG A 30 8.189 6.409 -6.605 1.00 0.38 C ATOM 467 O ARG A 30 8.097 5.243 -6.981 1.00 0.39 O ATOM 468 CB ARG A 30 7.067 7.004 -4.423 1.00 0.43 C ATOM 469 CG ARG A 30 6.171 5.788 -4.252 1.00 0.49 C ATOM 470 CD ARG A 30 6.552 4.954 -3.038 1.00 0.73 C ATOM 471 NE ARG A 30 7.583 3.957 -3.329 1.00 1.07 N ATOM 472 CZ ARG A 30 8.089 3.139 -2.405 1.00 1.18 C ATOM 473 NH1 ARG A 30 7.714 3.260 -1.136 1.00 1.25 N ATOM 474 NH2 ARG A 30 8.975 2.209 -2.745 1.00 1.86 N ATOM 0 H ARG A 30 8.900 8.630 -4.394 1.00 0.42 H new ATOM 0 HA ARG A 30 8.874 5.860 -4.662 1.00 0.40 H new ATOM 0 HB2 ARG A 30 7.269 7.429 -3.440 1.00 0.43 H new ATOM 0 HB3 ARG A 30 6.525 7.759 -4.992 1.00 0.43 H new ATOM 0 HG2 ARG A 30 5.135 6.114 -4.155 1.00 0.49 H new ATOM 0 HG3 ARG A 30 6.228 5.169 -5.147 1.00 0.49 H new ATOM 0 HD2 ARG A 30 6.907 5.615 -2.247 1.00 0.73 H new ATOM 0 HD3 ARG A 30 5.664 4.450 -2.658 1.00 0.73 H new ATOM 0 HE ARG A 30 7.932 3.884 -4.285 1.00 1.07 H new ATOM 0 HH11 ARG A 30 7.040 3.978 -0.870 1.00 1.25 H new ATOM 0 HH12 ARG A 30 8.100 2.635 -0.428 1.00 1.25 H new ATOM 0 HH21 ARG A 30 9.271 2.118 -3.717 1.00 1.86 H new ATOM 0 HH22 ARG A 30 9.359 1.586 -2.034 1.00 1.86 H new ATOM 488 N ARG A 31 8.165 7.441 -7.449 1.00 0.39 N ATOM 489 CA ARG A 31 7.938 7.248 -8.881 1.00 0.43 C ATOM 490 C ARG A 31 9.120 6.515 -9.544 1.00 0.42 C ATOM 491 O ARG A 31 8.940 5.799 -10.524 1.00 0.51 O ATOM 492 CB ARG A 31 7.653 8.594 -9.580 1.00 0.55 C ATOM 493 CG ARG A 31 8.817 9.174 -10.377 1.00 1.16 C ATOM 494 CD ARG A 31 9.899 9.772 -9.490 1.00 1.92 C ATOM 495 NE ARG A 31 11.097 10.105 -10.258 1.00 2.67 N ATOM 496 CZ ARG A 31 12.021 10.988 -9.880 1.00 3.57 C ATOM 497 NH1 ARG A 31 11.907 11.629 -8.722 1.00 3.96 N ATOM 498 NH2 ARG A 31 13.069 11.219 -10.661 1.00 4.35 N ATOM 0 H ARG A 31 8.299 8.412 -7.168 1.00 0.39 H new ATOM 0 HA ARG A 31 7.057 6.617 -8.995 1.00 0.43 H new ATOM 0 HB2 ARG A 31 6.804 8.463 -10.251 1.00 0.55 H new ATOM 0 HB3 ARG A 31 7.354 9.321 -8.825 1.00 0.55 H new ATOM 0 HG2 ARG A 31 9.253 8.390 -10.996 1.00 1.16 H new ATOM 0 HG3 ARG A 31 8.442 9.943 -11.053 1.00 1.16 H new ATOM 0 HD2 ARG A 31 9.517 10.669 -9.003 1.00 1.92 H new ATOM 0 HD3 ARG A 31 10.156 9.065 -8.701 1.00 1.92 H new ATOM 0 HE ARG A 31 11.236 9.627 -11.148 1.00 2.67 H new ATOM 0 HH11 ARG A 31 11.108 11.447 -8.115 1.00 3.96 H new ATOM 0 HH12 ARG A 31 12.619 12.303 -8.440 1.00 3.96 H new ATOM 0 HH21 ARG A 31 13.165 10.722 -11.546 1.00 4.35 H new ATOM 0 HH22 ARG A 31 13.779 11.894 -10.376 1.00 4.35 H new ATOM 512 N PHE A 32 10.319 6.680 -8.992 1.00 0.39 N ATOM 513 CA PHE A 32 11.506 6.012 -9.524 1.00 0.42 C ATOM 514 C PHE A 32 11.779 4.769 -8.697 1.00 0.40 C ATOM 515 O PHE A 32 12.732 4.026 -8.924 1.00 0.47 O ATOM 516 CB PHE A 32 12.703 6.992 -9.549 1.00 0.53 C ATOM 517 CG PHE A 32 13.818 6.700 -8.574 1.00 1.08 C ATOM 518 CD1 PHE A 32 13.739 7.125 -7.258 1.00 1.15 C ATOM 519 CD2 PHE A 32 14.950 6.013 -8.983 1.00 2.08 C ATOM 520 CE1 PHE A 32 14.764 6.865 -6.368 1.00 2.18 C ATOM 521 CE2 PHE A 32 15.978 5.751 -8.099 1.00 3.15 C ATOM 522 CZ PHE A 32 15.884 6.177 -6.789 1.00 3.19 C ATOM 0 H PHE A 32 10.496 7.269 -8.178 1.00 0.39 H new ATOM 0 HA PHE A 32 11.342 5.699 -10.555 1.00 0.42 H new ATOM 0 HB2 PHE A 32 13.120 6.999 -10.556 1.00 0.53 H new ATOM 0 HB3 PHE A 32 12.329 7.997 -9.352 1.00 0.53 H new ATOM 0 HD1 PHE A 32 12.866 7.666 -6.923 1.00 1.15 H new ATOM 0 HD2 PHE A 32 15.029 5.678 -10.007 1.00 2.08 H new ATOM 0 HE1 PHE A 32 14.689 7.200 -5.344 1.00 2.18 H new ATOM 0 HE2 PHE A 32 16.854 5.214 -8.432 1.00 3.15 H new ATOM 0 HZ PHE A 32 16.686 5.972 -6.095 1.00 3.19 H new ATOM 532 N LEU A 33 10.901 4.538 -7.745 1.00 0.34 N ATOM 533 CA LEU A 33 10.909 3.308 -6.995 1.00 0.34 C ATOM 534 C LEU A 33 9.957 2.312 -7.656 1.00 0.32 C ATOM 535 O LEU A 33 9.934 1.136 -7.298 1.00 0.37 O ATOM 536 CB LEU A 33 10.544 3.572 -5.532 1.00 0.34 C ATOM 537 CG LEU A 33 11.560 4.429 -4.769 1.00 0.39 C ATOM 538 CD1 LEU A 33 11.080 4.711 -3.358 1.00 0.39 C ATOM 539 CD2 LEU A 33 12.918 3.742 -4.739 1.00 0.47 C ATOM 0 H LEU A 33 10.168 5.194 -7.473 1.00 0.34 H new ATOM 0 HA LEU A 33 11.910 2.876 -6.998 1.00 0.34 H new ATOM 0 HB2 LEU A 33 9.572 4.065 -5.496 1.00 0.34 H new ATOM 0 HB3 LEU A 33 10.436 2.616 -5.019 1.00 0.34 H new ATOM 0 HG LEU A 33 11.661 5.381 -5.291 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.819 5.321 -2.837 1.00 0.39 H new ATOM 0 HD12 LEU A 33 10.131 5.245 -3.397 1.00 0.39 H new ATOM 0 HD13 LEU A 33 10.945 3.770 -2.825 1.00 0.39 H new ATOM 0 HD21 LEU A 33 13.628 4.363 -4.194 1.00 0.47 H new ATOM 0 HD22 LEU A 33 12.826 2.776 -4.243 1.00 0.47 H new ATOM 0 HD23 LEU A 33 13.274 3.594 -5.759 1.00 0.47 H new ATOM 551 N GLU A 34 9.169 2.797 -8.627 1.00 0.30 N ATOM 552 CA GLU A 34 8.398 1.917 -9.512 1.00 0.29 C ATOM 553 C GLU A 34 9.279 0.832 -10.135 1.00 0.32 C ATOM 554 O GLU A 34 8.960 -0.349 -10.022 1.00 0.32 O ATOM 555 CB GLU A 34 7.724 2.698 -10.646 1.00 0.31 C ATOM 556 CG GLU A 34 6.339 3.206 -10.326 1.00 0.35 C ATOM 557 CD GLU A 34 5.638 3.765 -11.551 1.00 0.52 C ATOM 558 OE1 GLU A 34 6.058 4.832 -12.048 1.00 0.67 O ATOM 559 OE2 GLU A 34 4.674 3.134 -12.037 1.00 0.82 O ATOM 0 H GLU A 34 9.050 3.792 -8.818 1.00 0.30 H new ATOM 0 HA GLU A 34 7.635 1.455 -8.885 1.00 0.29 H new ATOM 0 HB2 GLU A 34 8.355 3.546 -10.910 1.00 0.31 H new ATOM 0 HB3 GLU A 34 7.667 2.057 -11.526 1.00 0.31 H new ATOM 0 HG2 GLU A 34 5.744 2.395 -9.907 1.00 0.35 H new ATOM 0 HG3 GLU A 34 6.405 3.980 -9.562 1.00 0.35 H new ATOM 566 N PRO A 35 10.400 1.201 -10.807 1.00 0.35 N ATOM 567 CA PRO A 35 11.270 0.219 -11.453 1.00 0.37 C ATOM 568 C PRO A 35 11.839 -0.808 -10.473 1.00 0.36 C ATOM 569 O PRO A 35 12.275 -1.889 -10.870 1.00 0.38 O ATOM 570 CB PRO A 35 12.399 1.049 -12.072 1.00 0.45 C ATOM 571 CG PRO A 35 12.318 2.381 -11.419 1.00 0.51 C ATOM 572 CD PRO A 35 10.878 2.575 -11.045 1.00 0.38 C ATOM 0 HA PRO A 35 10.715 -0.366 -12.186 1.00 0.37 H new ATOM 0 HB2 PRO A 35 13.369 0.584 -11.896 1.00 0.45 H new ATOM 0 HB3 PRO A 35 12.277 1.133 -13.152 1.00 0.45 H new ATOM 0 HG2 PRO A 35 12.958 2.422 -10.538 1.00 0.51 H new ATOM 0 HG3 PRO A 35 12.654 3.167 -12.095 1.00 0.51 H new ATOM 0 HD2 PRO A 35 10.774 3.197 -10.156 1.00 0.38 H new ATOM 0 HD3 PRO A 35 10.318 3.063 -11.842 1.00 0.38 H new ATOM 580 N PHE A 36 11.845 -0.454 -9.197 1.00 0.35 N ATOM 581 CA PHE A 36 12.345 -1.337 -8.153 1.00 0.38 C ATOM 582 C PHE A 36 11.252 -2.291 -7.679 1.00 0.34 C ATOM 583 O PHE A 36 11.525 -3.420 -7.273 1.00 0.43 O ATOM 584 CB PHE A 36 12.881 -0.503 -6.984 1.00 0.46 C ATOM 585 CG PHE A 36 13.564 -1.309 -5.913 1.00 0.52 C ATOM 586 CD1 PHE A 36 14.733 -1.999 -6.185 1.00 0.62 C ATOM 587 CD2 PHE A 36 13.029 -1.381 -4.638 1.00 0.64 C ATOM 588 CE1 PHE A 36 15.358 -2.744 -5.203 1.00 0.69 C ATOM 589 CE2 PHE A 36 13.648 -2.124 -3.653 1.00 0.72 C ATOM 590 CZ PHE A 36 14.836 -2.788 -3.935 1.00 0.70 C ATOM 0 H PHE A 36 11.506 0.446 -8.857 1.00 0.35 H new ATOM 0 HA PHE A 36 13.157 -1.939 -8.561 1.00 0.38 H new ATOM 0 HB2 PHE A 36 13.584 0.235 -7.371 1.00 0.46 H new ATOM 0 HB3 PHE A 36 12.054 0.048 -6.536 1.00 0.46 H new ATOM 0 HD1 PHE A 36 15.161 -1.955 -7.175 1.00 0.62 H new ATOM 0 HD2 PHE A 36 12.117 -0.850 -4.411 1.00 0.64 H new ATOM 0 HE1 PHE A 36 16.259 -3.293 -5.434 1.00 0.69 H new ATOM 0 HE2 PHE A 36 13.211 -2.189 -2.667 1.00 0.72 H new ATOM 0 HZ PHE A 36 15.347 -3.337 -3.158 1.00 0.70 H new ATOM 600 N LEU A 37 10.013 -1.829 -7.751 1.00 0.27 N ATOM 601 CA LEU A 37 8.870 -2.576 -7.227 1.00 0.26 C ATOM 602 C LEU A 37 8.222 -3.448 -8.298 1.00 0.25 C ATOM 603 O LEU A 37 7.404 -4.311 -7.992 1.00 0.30 O ATOM 604 CB LEU A 37 7.834 -1.602 -6.665 1.00 0.30 C ATOM 605 CG LEU A 37 8.034 -1.157 -5.209 1.00 0.39 C ATOM 606 CD1 LEU A 37 9.504 -0.973 -4.863 1.00 0.68 C ATOM 607 CD2 LEU A 37 7.292 0.142 -4.974 1.00 0.99 C ATOM 0 H LEU A 37 9.768 -0.932 -8.171 1.00 0.27 H new ATOM 0 HA LEU A 37 9.236 -3.233 -6.438 1.00 0.26 H new ATOM 0 HB2 LEU A 37 7.824 -0.713 -7.296 1.00 0.30 H new ATOM 0 HB3 LEU A 37 6.850 -2.064 -6.749 1.00 0.30 H new ATOM 0 HG LEU A 37 7.640 -1.942 -4.564 1.00 0.39 H new ATOM 0 HD11 LEU A 37 9.596 -0.658 -3.824 1.00 0.68 H new ATOM 0 HD12 LEU A 37 10.032 -1.916 -5.005 1.00 0.68 H new ATOM 0 HD13 LEU A 37 9.938 -0.213 -5.512 1.00 0.68 H new ATOM 0 HD21 LEU A 37 7.433 0.460 -3.941 1.00 0.99 H new ATOM 0 HD22 LEU A 37 7.679 0.909 -5.645 1.00 0.99 H new ATOM 0 HD23 LEU A 37 6.229 -0.006 -5.167 1.00 0.99 H new ATOM 619 N ARG A 38 8.577 -3.209 -9.550 1.00 0.24 N ATOM 620 CA ARG A 38 7.999 -3.951 -10.664 1.00 0.27 C ATOM 621 C ARG A 38 8.292 -5.434 -10.565 1.00 0.25 C ATOM 622 O ARG A 38 9.440 -5.860 -10.685 1.00 0.36 O ATOM 623 CB ARG A 38 8.526 -3.429 -11.993 1.00 0.33 C ATOM 624 CG ARG A 38 7.836 -2.161 -12.456 1.00 1.01 C ATOM 625 CD ARG A 38 8.515 -1.560 -13.676 1.00 1.12 C ATOM 626 NE ARG A 38 8.765 -2.553 -14.718 1.00 1.86 N ATOM 627 CZ ARG A 38 8.525 -2.355 -16.011 1.00 2.37 C ATOM 628 NH1 ARG A 38 7.925 -1.247 -16.426 1.00 2.26 N ATOM 629 NH2 ARG A 38 8.868 -3.281 -16.889 1.00 3.39 N ATOM 0 H ARG A 38 9.264 -2.506 -9.823 1.00 0.24 H new ATOM 0 HA ARG A 38 6.920 -3.805 -10.614 1.00 0.27 H new ATOM 0 HB2 ARG A 38 9.596 -3.240 -11.903 1.00 0.33 H new ATOM 0 HB3 ARG A 38 8.402 -4.200 -12.753 1.00 0.33 H new ATOM 0 HG2 ARG A 38 6.794 -2.379 -12.691 1.00 1.01 H new ATOM 0 HG3 ARG A 38 7.834 -1.432 -11.646 1.00 1.01 H new ATOM 0 HD2 ARG A 38 7.891 -0.762 -14.080 1.00 1.12 H new ATOM 0 HD3 ARG A 38 9.459 -1.106 -13.376 1.00 1.12 H new ATOM 0 HE ARG A 38 9.148 -3.455 -14.436 1.00 1.86 H new ATOM 0 HH11 ARG A 38 7.643 -0.536 -15.751 1.00 2.26 H new ATOM 0 HH12 ARG A 38 7.746 -1.106 -17.420 1.00 2.26 H new ATOM 0 HH21 ARG A 38 9.314 -4.142 -16.574 1.00 3.39 H new ATOM 0 HH22 ARG A 38 8.686 -3.135 -17.882 1.00 3.39 H new ATOM 643 N GLY A 39 7.254 -6.212 -10.337 1.00 0.19 N ATOM 644 CA GLY A 39 7.402 -7.641 -10.383 1.00 0.23 C ATOM 645 C GLY A 39 7.730 -8.244 -9.030 1.00 0.22 C ATOM 646 O GLY A 39 8.530 -9.173 -8.938 1.00 0.30 O ATOM 0 H GLY A 39 6.314 -5.880 -10.121 1.00 0.19 H new ATOM 0 HA2 GLY A 39 6.480 -8.085 -10.759 1.00 0.23 H new ATOM 0 HA3 GLY A 39 8.191 -7.897 -11.090 1.00 0.23 H new ATOM 650 N ILE A 40 7.125 -7.717 -7.973 1.00 0.18 N ATOM 651 CA ILE A 40 7.336 -8.281 -6.635 1.00 0.19 C ATOM 652 C ILE A 40 6.040 -8.874 -6.098 1.00 0.20 C ATOM 653 O ILE A 40 4.977 -8.672 -6.676 1.00 0.23 O ATOM 654 CB ILE A 40 7.878 -7.242 -5.617 1.00 0.21 C ATOM 655 CG1 ILE A 40 6.935 -6.043 -5.523 1.00 0.20 C ATOM 656 CG2 ILE A 40 9.287 -6.793 -5.989 1.00 0.23 C ATOM 657 CD1 ILE A 40 7.327 -5.024 -4.474 1.00 0.20 C ATOM 0 H ILE A 40 6.495 -6.915 -8.007 1.00 0.18 H new ATOM 0 HA ILE A 40 8.092 -9.059 -6.748 1.00 0.19 H new ATOM 0 HB ILE A 40 7.927 -7.720 -4.639 1.00 0.21 H new ATOM 0 HG12 ILE A 40 6.894 -5.550 -6.494 1.00 0.20 H new ATOM 0 HG13 ILE A 40 5.929 -6.403 -5.306 1.00 0.20 H new ATOM 0 HG21 ILE A 40 9.642 -6.065 -5.259 1.00 0.23 H new ATOM 0 HG22 ILE A 40 9.954 -7.655 -5.995 1.00 0.23 H new ATOM 0 HG23 ILE A 40 9.274 -6.337 -6.979 1.00 0.23 H new ATOM 0 HD11 ILE A 40 6.606 -4.207 -4.473 1.00 0.20 H new ATOM 0 HD12 ILE A 40 7.339 -5.498 -3.493 1.00 0.20 H new ATOM 0 HD13 ILE A 40 8.319 -4.633 -4.700 1.00 0.20 H new ATOM 669 N ASN A 41 6.127 -9.610 -5.004 1.00 0.25 N ATOM 670 CA ASN A 41 4.939 -10.147 -4.354 1.00 0.25 C ATOM 671 C ASN A 41 4.911 -9.694 -2.906 1.00 0.25 C ATOM 672 O ASN A 41 5.862 -9.931 -2.157 1.00 0.38 O ATOM 673 CB ASN A 41 4.902 -11.678 -4.427 1.00 0.39 C ATOM 674 CG ASN A 41 4.634 -12.200 -5.829 1.00 1.43 C ATOM 675 OD1 ASN A 41 3.482 -12.371 -6.234 1.00 2.29 O ATOM 676 ND2 ASN A 41 5.694 -12.471 -6.575 1.00 2.16 N ATOM 0 H ASN A 41 7.006 -9.851 -4.546 1.00 0.25 H new ATOM 0 HA ASN A 41 4.060 -9.770 -4.877 1.00 0.25 H new ATOM 0 HB2 ASN A 41 5.853 -12.076 -4.073 1.00 0.39 H new ATOM 0 HB3 ASN A 41 4.130 -12.050 -3.753 1.00 0.39 H new ATOM 0 HD21 ASN A 41 5.573 -12.835 -7.520 1.00 2.16 H new ATOM 0 HD22 ASN A 41 6.632 -12.316 -6.204 1.00 2.16 H new ATOM 683 N VAL A 42 3.835 -9.031 -2.512 1.00 0.19 N ATOM 684 CA VAL A 42 3.748 -8.463 -1.179 1.00 0.20 C ATOM 685 C VAL A 42 2.503 -8.953 -0.460 1.00 0.18 C ATOM 686 O VAL A 42 1.417 -8.999 -1.033 1.00 0.19 O ATOM 687 CB VAL A 42 3.748 -6.916 -1.208 1.00 0.25 C ATOM 688 CG1 VAL A 42 5.096 -6.386 -1.670 1.00 0.31 C ATOM 689 CG2 VAL A 42 2.631 -6.387 -2.098 1.00 0.27 C ATOM 0 H VAL A 42 3.013 -8.874 -3.095 1.00 0.19 H new ATOM 0 HA VAL A 42 4.634 -8.796 -0.638 1.00 0.20 H new ATOM 0 HB VAL A 42 3.569 -6.561 -0.193 1.00 0.25 H new ATOM 0 HG11 VAL A 42 5.073 -5.296 -1.683 1.00 0.31 H new ATOM 0 HG12 VAL A 42 5.874 -6.725 -0.986 1.00 0.31 H new ATOM 0 HG13 VAL A 42 5.308 -6.756 -2.673 1.00 0.31 H new ATOM 0 HG21 VAL A 42 2.653 -5.297 -2.101 1.00 0.27 H new ATOM 0 HG22 VAL A 42 2.770 -6.755 -3.114 1.00 0.27 H new ATOM 0 HG23 VAL A 42 1.669 -6.729 -1.717 1.00 0.27 H new ATOM 699 N VAL A 43 2.672 -9.337 0.788 1.00 0.18 N ATOM 700 CA VAL A 43 1.554 -9.743 1.608 1.00 0.18 C ATOM 701 C VAL A 43 0.905 -8.509 2.210 1.00 0.19 C ATOM 702 O VAL A 43 1.486 -7.848 3.074 1.00 0.29 O ATOM 703 CB VAL A 43 1.991 -10.706 2.733 1.00 0.23 C ATOM 704 CG1 VAL A 43 0.789 -11.182 3.537 1.00 0.79 C ATOM 705 CG2 VAL A 43 2.757 -11.890 2.161 1.00 0.70 C ATOM 0 H VAL A 43 3.577 -9.376 1.257 1.00 0.18 H new ATOM 0 HA VAL A 43 0.842 -10.275 0.977 1.00 0.18 H new ATOM 0 HB VAL A 43 2.655 -10.162 3.405 1.00 0.23 H new ATOM 0 HG11 VAL A 43 1.122 -11.859 4.323 1.00 0.79 H new ATOM 0 HG12 VAL A 43 0.288 -10.324 3.985 1.00 0.79 H new ATOM 0 HG13 VAL A 43 0.095 -11.704 2.879 1.00 0.79 H new ATOM 0 HG21 VAL A 43 3.055 -12.556 2.971 1.00 0.70 H new ATOM 0 HG22 VAL A 43 2.120 -12.432 1.462 1.00 0.70 H new ATOM 0 HG23 VAL A 43 3.645 -11.532 1.640 1.00 0.70 H new ATOM 715 N TYR A 44 -0.281 -8.182 1.734 1.00 0.15 N ATOM 716 CA TYR A 44 -0.994 -7.021 2.226 1.00 0.19 C ATOM 717 C TYR A 44 -1.649 -7.348 3.557 1.00 0.21 C ATOM 718 O TYR A 44 -2.560 -8.174 3.630 1.00 0.29 O ATOM 719 CB TYR A 44 -2.043 -6.561 1.209 1.00 0.24 C ATOM 720 CG TYR A 44 -2.945 -5.460 1.719 1.00 0.29 C ATOM 721 CD1 TYR A 44 -2.482 -4.156 1.819 1.00 0.35 C ATOM 722 CD2 TYR A 44 -4.255 -5.722 2.097 1.00 0.38 C ATOM 723 CE1 TYR A 44 -3.298 -3.142 2.281 1.00 0.41 C ATOM 724 CE2 TYR A 44 -5.078 -4.714 2.559 1.00 0.44 C ATOM 725 CZ TYR A 44 -4.611 -3.446 2.663 1.00 0.42 C ATOM 726 OH TYR A 44 -5.412 -2.415 3.103 1.00 0.50 O ATOM 0 H TYR A 44 -0.770 -8.704 1.007 1.00 0.15 H new ATOM 0 HA TYR A 44 -0.285 -6.206 2.371 1.00 0.19 H new ATOM 0 HB2 TYR A 44 -1.535 -6.214 0.309 1.00 0.24 H new ATOM 0 HB3 TYR A 44 -2.655 -7.415 0.921 1.00 0.24 H new ATOM 0 HD1 TYR A 44 -1.466 -3.930 1.531 1.00 0.35 H new ATOM 0 HD2 TYR A 44 -4.636 -6.730 2.029 1.00 0.38 H new ATOM 0 HE1 TYR A 44 -2.929 -2.129 2.347 1.00 0.41 H new ATOM 0 HE2 TYR A 44 -6.097 -4.937 2.838 1.00 0.44 H new ATOM 0 HH TYR A 44 -6.298 -2.765 3.335 1.00 0.50 H new ATOM 736 N THR A 45 -1.163 -6.711 4.606 1.00 0.23 N ATOM 737 CA THR A 45 -1.672 -6.937 5.941 1.00 0.29 C ATOM 738 C THR A 45 -2.570 -5.779 6.362 1.00 0.27 C ATOM 739 O THR A 45 -2.086 -4.690 6.682 1.00 0.30 O ATOM 740 CB THR A 45 -0.515 -7.086 6.944 1.00 0.39 C ATOM 741 OG1 THR A 45 0.437 -8.032 6.439 1.00 1.25 O ATOM 742 CG2 THR A 45 -1.023 -7.547 8.303 1.00 1.13 C ATOM 0 H THR A 45 -0.408 -6.027 4.555 1.00 0.23 H new ATOM 0 HA THR A 45 -2.252 -7.860 5.935 1.00 0.29 H new ATOM 0 HB THR A 45 -0.041 -6.113 7.069 1.00 0.39 H new ATOM 0 HG1 THR A 45 1.175 -8.126 7.077 1.00 1.25 H new ATOM 0 HG21 THR A 45 -0.184 -7.644 8.992 1.00 1.13 H new ATOM 0 HG22 THR A 45 -1.731 -6.816 8.694 1.00 1.13 H new ATOM 0 HG23 THR A 45 -1.519 -8.512 8.198 1.00 1.13 H new ATOM 750 N PRO A 46 -3.892 -5.997 6.346 1.00 0.30 N ATOM 751 CA PRO A 46 -4.870 -4.983 6.726 1.00 0.33 C ATOM 752 C PRO A 46 -4.890 -4.759 8.231 1.00 0.32 C ATOM 753 O PRO A 46 -4.813 -5.714 9.009 1.00 0.35 O ATOM 754 CB PRO A 46 -6.214 -5.573 6.262 1.00 0.40 C ATOM 755 CG PRO A 46 -5.867 -6.772 5.443 1.00 0.43 C ATOM 756 CD PRO A 46 -4.544 -7.249 5.956 1.00 0.38 C ATOM 0 HA PRO A 46 -4.645 -4.014 6.281 1.00 0.33 H new ATOM 0 HB2 PRO A 46 -6.836 -5.847 7.114 1.00 0.40 H new ATOM 0 HB3 PRO A 46 -6.778 -4.848 5.675 1.00 0.40 H new ATOM 0 HG2 PRO A 46 -6.627 -7.547 5.543 1.00 0.43 H new ATOM 0 HG3 PRO A 46 -5.807 -6.518 4.385 1.00 0.43 H new ATOM 0 HD2 PRO A 46 -4.656 -7.929 6.800 1.00 0.38 H new ATOM 0 HD3 PRO A 46 -3.979 -7.781 5.191 1.00 0.38 H new ATOM 764 N PRO A 47 -4.969 -3.489 8.652 1.00 0.33 N ATOM 765 CA PRO A 47 -5.092 -3.131 10.066 1.00 0.37 C ATOM 766 C PRO A 47 -6.276 -3.836 10.714 1.00 0.40 C ATOM 767 O PRO A 47 -7.314 -4.043 10.080 1.00 0.41 O ATOM 768 CB PRO A 47 -5.309 -1.615 10.034 1.00 0.37 C ATOM 769 CG PRO A 47 -4.711 -1.174 8.744 1.00 0.48 C ATOM 770 CD PRO A 47 -4.937 -2.305 7.781 1.00 0.35 C ATOM 0 HA PRO A 47 -4.221 -3.425 10.651 1.00 0.37 H new ATOM 0 HB2 PRO A 47 -6.369 -1.366 10.085 1.00 0.37 H new ATOM 0 HB3 PRO A 47 -4.826 -1.128 10.881 1.00 0.37 H new ATOM 0 HG2 PRO A 47 -5.181 -0.257 8.388 1.00 0.48 H new ATOM 0 HG3 PRO A 47 -3.648 -0.963 8.858 1.00 0.48 H new ATOM 0 HD2 PRO A 47 -5.870 -2.185 7.231 1.00 0.35 H new ATOM 0 HD3 PRO A 47 -4.138 -2.370 7.042 1.00 0.35 H new ATOM 778 N GLN A 48 -6.121 -4.193 11.984 1.00 0.52 N ATOM 779 CA GLN A 48 -7.105 -5.012 12.688 1.00 0.63 C ATOM 780 C GLN A 48 -8.434 -4.283 12.883 1.00 0.57 C ATOM 781 O GLN A 48 -9.412 -4.875 13.333 1.00 0.68 O ATOM 782 CB GLN A 48 -6.542 -5.472 14.035 1.00 0.83 C ATOM 783 CG GLN A 48 -6.100 -4.338 14.945 1.00 0.89 C ATOM 784 CD GLN A 48 -5.319 -4.841 16.141 1.00 1.22 C ATOM 785 OE1 GLN A 48 -4.093 -4.959 16.091 1.00 1.54 O ATOM 786 NE2 GLN A 48 -6.014 -5.140 17.225 1.00 1.92 N ATOM 0 H GLN A 48 -5.317 -3.926 12.552 1.00 0.52 H new ATOM 0 HA GLN A 48 -7.308 -5.884 12.066 1.00 0.63 H new ATOM 0 HB2 GLN A 48 -7.300 -6.062 14.550 1.00 0.83 H new ATOM 0 HB3 GLN A 48 -5.692 -6.131 13.855 1.00 0.83 H new ATOM 0 HG2 GLN A 48 -5.485 -3.638 14.379 1.00 0.89 H new ATOM 0 HG3 GLN A 48 -6.975 -3.787 15.289 1.00 0.89 H new ATOM 0 HE21 GLN A 48 -7.028 -5.029 17.227 1.00 1.92 H new ATOM 0 HE22 GLN A 48 -5.536 -5.482 18.059 1.00 1.92 H new ATOM 795 N SER A 49 -8.472 -3.006 12.534 1.00 0.49 N ATOM 796 CA SER A 49 -9.708 -2.247 12.575 1.00 0.51 C ATOM 797 C SER A 49 -10.562 -2.561 11.345 1.00 0.51 C ATOM 798 O SER A 49 -11.771 -2.328 11.332 1.00 0.59 O ATOM 799 CB SER A 49 -9.396 -0.752 12.655 1.00 0.56 C ATOM 800 OG SER A 49 -8.480 -0.367 11.645 1.00 1.58 O ATOM 0 H SER A 49 -7.660 -2.475 12.219 1.00 0.49 H new ATOM 0 HA SER A 49 -10.274 -2.531 13.462 1.00 0.51 H new ATOM 0 HB2 SER A 49 -10.318 -0.179 12.552 1.00 0.56 H new ATOM 0 HB3 SER A 49 -8.982 -0.516 13.635 1.00 0.56 H new ATOM 0 HG SER A 49 -8.762 0.487 11.256 1.00 1.58 H new ATOM 806 N PHE A 50 -9.920 -3.103 10.316 1.00 0.47 N ATOM 807 CA PHE A 50 -10.606 -3.489 9.090 1.00 0.51 C ATOM 808 C PHE A 50 -11.213 -4.873 9.229 1.00 0.58 C ATOM 809 O PHE A 50 -12.282 -5.151 8.689 1.00 0.67 O ATOM 810 CB PHE A 50 -9.644 -3.481 7.901 1.00 0.49 C ATOM 811 CG PHE A 50 -9.217 -2.110 7.475 1.00 0.50 C ATOM 812 CD1 PHE A 50 -8.368 -1.357 8.265 1.00 0.50 C ATOM 813 CD2 PHE A 50 -9.664 -1.578 6.278 1.00 0.69 C ATOM 814 CE1 PHE A 50 -7.971 -0.097 7.873 1.00 0.57 C ATOM 815 CE2 PHE A 50 -9.270 -0.315 5.879 1.00 0.76 C ATOM 816 CZ PHE A 50 -8.422 0.426 6.680 1.00 0.65 C ATOM 0 H PHE A 50 -8.917 -3.286 10.308 1.00 0.47 H new ATOM 0 HA PHE A 50 -11.399 -2.762 8.914 1.00 0.51 H new ATOM 0 HB2 PHE A 50 -8.759 -4.063 8.158 1.00 0.49 H new ATOM 0 HB3 PHE A 50 -10.120 -3.981 7.058 1.00 0.49 H new ATOM 0 HD1 PHE A 50 -8.012 -1.761 9.201 1.00 0.50 H new ATOM 0 HD2 PHE A 50 -10.327 -2.155 5.650 1.00 0.69 H new ATOM 0 HE1 PHE A 50 -7.307 0.480 8.500 1.00 0.57 H new ATOM 0 HE2 PHE A 50 -9.624 0.092 4.943 1.00 0.76 H new ATOM 0 HZ PHE A 50 -8.113 1.414 6.372 1.00 0.65 H new ATOM 826 N GLN A 51 -10.511 -5.726 9.978 1.00 0.58 N ATOM 827 CA GLN A 51 -10.893 -7.124 10.155 1.00 0.67 C ATOM 828 C GLN A 51 -10.833 -7.870 8.825 1.00 0.65 C ATOM 829 O GLN A 51 -11.523 -8.873 8.623 1.00 0.88 O ATOM 830 CB GLN A 51 -12.288 -7.234 10.778 1.00 0.82 C ATOM 831 CG GLN A 51 -12.394 -6.540 12.127 1.00 0.94 C ATOM 832 CD GLN A 51 -13.796 -6.561 12.695 1.00 1.28 C ATOM 833 OE1 GLN A 51 -14.574 -7.479 12.438 1.00 1.77 O ATOM 834 NE2 GLN A 51 -14.129 -5.544 13.473 1.00 1.99 N ATOM 0 H GLN A 51 -9.661 -5.464 10.478 1.00 0.58 H new ATOM 0 HA GLN A 51 -10.182 -7.587 10.839 1.00 0.67 H new ATOM 0 HB2 GLN A 51 -13.020 -6.802 10.095 1.00 0.82 H new ATOM 0 HB3 GLN A 51 -12.545 -8.287 10.896 1.00 0.82 H new ATOM 0 HG2 GLN A 51 -11.716 -7.022 12.831 1.00 0.94 H new ATOM 0 HG3 GLN A 51 -12.065 -5.506 12.024 1.00 0.94 H new ATOM 0 HE21 GLN A 51 -13.454 -4.803 13.661 1.00 1.99 H new ATOM 0 HE22 GLN A 51 -15.061 -5.501 13.885 1.00 1.99 H new ATOM 843 N SER A 52 -10.002 -7.363 7.922 1.00 0.51 N ATOM 844 CA SER A 52 -9.806 -7.977 6.623 1.00 0.51 C ATOM 845 C SER A 52 -8.685 -9.012 6.699 1.00 0.43 C ATOM 846 O SER A 52 -7.731 -8.850 7.463 1.00 0.44 O ATOM 847 CB SER A 52 -9.462 -6.907 5.588 1.00 0.53 C ATOM 848 OG SER A 52 -10.407 -5.847 5.613 1.00 1.35 O ATOM 0 H SER A 52 -9.450 -6.519 8.072 1.00 0.51 H new ATOM 0 HA SER A 52 -10.727 -8.476 6.323 1.00 0.51 H new ATOM 0 HB2 SER A 52 -8.465 -6.514 5.785 1.00 0.53 H new ATOM 0 HB3 SER A 52 -9.438 -7.353 4.594 1.00 0.53 H new ATOM 0 HG SER A 52 -10.015 -5.050 5.199 1.00 1.35 H new ATOM 854 N ALA A 53 -8.808 -10.072 5.913 1.00 0.46 N ATOM 855 CA ALA A 53 -7.810 -11.133 5.897 1.00 0.43 C ATOM 856 C ALA A 53 -6.621 -10.739 5.029 1.00 0.36 C ATOM 857 O ALA A 53 -6.797 -10.330 3.881 1.00 0.38 O ATOM 858 CB ALA A 53 -8.430 -12.425 5.386 1.00 0.50 C ATOM 0 H ALA A 53 -9.591 -10.221 5.276 1.00 0.46 H new ATOM 0 HA ALA A 53 -7.454 -11.290 6.915 1.00 0.43 H new ATOM 0 HB1 ALA A 53 -7.676 -13.212 5.378 1.00 0.50 H new ATOM 0 HB2 ALA A 53 -9.252 -12.717 6.039 1.00 0.50 H new ATOM 0 HB3 ALA A 53 -8.807 -12.273 4.374 1.00 0.50 H new ATOM 864 N PRO A 54 -5.394 -10.843 5.577 1.00 0.33 N ATOM 865 CA PRO A 54 -4.165 -10.530 4.840 1.00 0.30 C ATOM 866 C PRO A 54 -4.037 -11.366 3.574 1.00 0.28 C ATOM 867 O PRO A 54 -4.195 -12.588 3.605 1.00 0.29 O ATOM 868 CB PRO A 54 -3.047 -10.877 5.832 1.00 0.35 C ATOM 869 CG PRO A 54 -3.696 -10.820 7.172 1.00 0.56 C ATOM 870 CD PRO A 54 -5.115 -11.266 6.959 1.00 0.39 C ATOM 0 HA PRO A 54 -4.139 -9.492 4.507 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -2.635 -11.867 5.634 1.00 0.35 H new ATOM 0 HB3 PRO A 54 -2.222 -10.168 5.762 1.00 0.35 H new ATOM 0 HG2 PRO A 54 -3.184 -11.470 7.882 1.00 0.56 H new ATOM 0 HG3 PRO A 54 -3.661 -9.810 7.581 1.00 0.56 H new ATOM 0 HD2 PRO A 54 -5.221 -12.344 7.080 1.00 0.39 H new ATOM 0 HD3 PRO A 54 -5.796 -10.797 7.669 1.00 0.39 H new ATOM 878 N ARG A 55 -3.743 -10.708 2.469 1.00 0.27 N ATOM 879 CA ARG A 55 -3.694 -11.372 1.178 1.00 0.30 C ATOM 880 C ARG A 55 -2.486 -10.900 0.381 1.00 0.24 C ATOM 881 O ARG A 55 -2.169 -9.713 0.368 1.00 0.20 O ATOM 882 CB ARG A 55 -4.992 -11.106 0.410 1.00 0.41 C ATOM 883 CG ARG A 55 -5.025 -11.707 -0.984 1.00 0.52 C ATOM 884 CD ARG A 55 -6.429 -11.672 -1.566 1.00 0.82 C ATOM 885 NE ARG A 55 -7.345 -12.538 -0.824 1.00 1.64 N ATOM 886 CZ ARG A 55 -8.668 -12.542 -0.980 1.00 2.46 C ATOM 887 NH1 ARG A 55 -9.253 -11.677 -1.797 1.00 2.66 N ATOM 888 NH2 ARG A 55 -9.406 -13.406 -0.301 1.00 3.34 N ATOM 0 H ARG A 55 -3.534 -9.710 2.438 1.00 0.27 H new ATOM 0 HA ARG A 55 -3.594 -12.446 1.334 1.00 0.30 H new ATOM 0 HB2 ARG A 55 -5.829 -11.503 0.985 1.00 0.41 H new ATOM 0 HB3 ARG A 55 -5.141 -10.029 0.333 1.00 0.41 H new ATOM 0 HG2 ARG A 55 -4.345 -11.158 -1.635 1.00 0.52 H new ATOM 0 HG3 ARG A 55 -4.670 -12.737 -0.947 1.00 0.52 H new ATOM 0 HD2 ARG A 55 -6.804 -10.648 -1.551 1.00 0.82 H new ATOM 0 HD3 ARG A 55 -6.398 -11.985 -2.610 1.00 0.82 H new ATOM 0 HE ARG A 55 -6.944 -13.182 -0.142 1.00 1.64 H new ATOM 0 HH11 ARG A 55 -8.689 -11.001 -2.312 1.00 2.66 H new ATOM 0 HH12 ARG A 55 -10.267 -11.688 -1.910 1.00 2.66 H new ATOM 0 HH21 ARG A 55 -8.961 -14.065 0.338 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -10.419 -13.413 -0.417 1.00 3.34 H new ATOM 902 N VAL A 56 -1.808 -11.832 -0.265 1.00 0.27 N ATOM 903 CA VAL A 56 -0.622 -11.506 -1.041 1.00 0.25 C ATOM 904 C VAL A 56 -1.000 -11.039 -2.450 1.00 0.25 C ATOM 905 O VAL A 56 -1.871 -11.623 -3.100 1.00 0.31 O ATOM 906 CB VAL A 56 0.348 -12.713 -1.113 1.00 0.32 C ATOM 907 CG1 VAL A 56 -0.333 -13.930 -1.720 1.00 1.22 C ATOM 908 CG2 VAL A 56 1.608 -12.360 -1.892 1.00 1.18 C ATOM 0 H VAL A 56 -2.057 -12.821 -0.268 1.00 0.27 H new ATOM 0 HA VAL A 56 -0.110 -10.688 -0.534 1.00 0.25 H new ATOM 0 HB VAL A 56 0.639 -12.961 -0.092 1.00 0.32 H new ATOM 0 HG11 VAL A 56 0.372 -14.760 -1.757 1.00 1.22 H new ATOM 0 HG12 VAL A 56 -1.191 -14.210 -1.109 1.00 1.22 H new ATOM 0 HG13 VAL A 56 -0.669 -13.693 -2.730 1.00 1.22 H new ATOM 0 HG21 VAL A 56 2.269 -13.226 -1.926 1.00 1.18 H new ATOM 0 HG22 VAL A 56 1.339 -12.069 -2.907 1.00 1.18 H new ATOM 0 HG23 VAL A 56 2.119 -11.532 -1.401 1.00 1.18 H new ATOM 918 N TYR A 57 -0.349 -9.977 -2.906 1.00 0.20 N ATOM 919 CA TYR A 57 -0.615 -9.410 -4.216 1.00 0.20 C ATOM 920 C TYR A 57 0.689 -9.202 -4.961 1.00 0.19 C ATOM 921 O TYR A 57 1.716 -8.887 -4.355 1.00 0.21 O ATOM 922 CB TYR A 57 -1.339 -8.067 -4.090 1.00 0.20 C ATOM 923 CG TYR A 57 -2.740 -8.170 -3.537 1.00 0.27 C ATOM 924 CD1 TYR A 57 -3.799 -8.554 -4.349 1.00 0.36 C ATOM 925 CD2 TYR A 57 -3.003 -7.887 -2.204 1.00 0.36 C ATOM 926 CE1 TYR A 57 -5.080 -8.649 -3.848 1.00 0.45 C ATOM 927 CE2 TYR A 57 -4.280 -7.981 -1.696 1.00 0.45 C ATOM 928 CZ TYR A 57 -5.314 -8.361 -2.521 1.00 0.46 C ATOM 929 OH TYR A 57 -6.585 -8.460 -2.016 1.00 0.57 O ATOM 0 H TYR A 57 0.375 -9.488 -2.379 1.00 0.20 H new ATOM 0 HA TYR A 57 -1.250 -10.105 -4.765 1.00 0.20 H new ATOM 0 HB2 TYR A 57 -0.754 -7.410 -3.447 1.00 0.20 H new ATOM 0 HB3 TYR A 57 -1.382 -7.596 -5.072 1.00 0.20 H new ATOM 0 HD1 TYR A 57 -3.616 -8.782 -5.389 1.00 0.36 H new ATOM 0 HD2 TYR A 57 -2.193 -7.588 -1.555 1.00 0.36 H new ATOM 0 HE1 TYR A 57 -5.895 -8.947 -4.491 1.00 0.45 H new ATOM 0 HE2 TYR A 57 -4.469 -7.758 -0.656 1.00 0.45 H new ATOM 0 HH TYR A 57 -7.235 -8.363 -2.743 1.00 0.57 H new ATOM 939 N ARG A 58 0.654 -9.401 -6.268 1.00 0.23 N ATOM 940 CA ARG A 58 1.794 -9.085 -7.104 1.00 0.27 C ATOM 941 C ARG A 58 1.800 -7.601 -7.418 1.00 0.25 C ATOM 942 O ARG A 58 0.794 -7.048 -7.869 1.00 0.37 O ATOM 943 CB ARG A 58 1.777 -9.889 -8.409 1.00 0.40 C ATOM 944 CG ARG A 58 2.706 -9.310 -9.467 1.00 0.57 C ATOM 945 CD ARG A 58 2.636 -10.070 -10.777 1.00 1.11 C ATOM 946 NE ARG A 58 3.080 -9.241 -11.899 1.00 1.96 N ATOM 947 CZ ARG A 58 4.094 -9.547 -12.714 1.00 2.71 C ATOM 948 NH1 ARG A 58 4.814 -10.644 -12.505 1.00 2.90 N ATOM 949 NH2 ARG A 58 4.393 -8.738 -13.724 1.00 3.71 N ATOM 0 H ARG A 58 -0.150 -9.779 -6.769 1.00 0.23 H new ATOM 0 HA ARG A 58 2.698 -9.353 -6.556 1.00 0.27 H new ATOM 0 HB2 ARG A 58 2.067 -10.919 -8.201 1.00 0.40 H new ATOM 0 HB3 ARG A 58 0.760 -9.918 -8.800 1.00 0.40 H new ATOM 0 HG2 ARG A 58 2.447 -8.266 -9.642 1.00 0.57 H new ATOM 0 HG3 ARG A 58 3.730 -9.326 -9.095 1.00 0.57 H new ATOM 0 HD2 ARG A 58 3.257 -10.964 -10.715 1.00 1.11 H new ATOM 0 HD3 ARG A 58 1.613 -10.404 -10.952 1.00 1.11 H new ATOM 0 HE ARG A 58 2.580 -8.369 -12.071 1.00 1.96 H new ATOM 0 HH11 ARG A 58 4.594 -11.257 -11.720 1.00 2.90 H new ATOM 0 HH12 ARG A 58 5.587 -10.873 -13.130 1.00 2.90 H new ATOM 0 HH21 ARG A 58 3.850 -7.888 -13.875 1.00 3.71 H new ATOM 0 HH22 ARG A 58 5.166 -8.967 -14.349 1.00 3.71 H new ATOM 963 N VAL A 59 2.921 -6.959 -7.159 1.00 0.19 N ATOM 964 CA VAL A 59 3.087 -5.570 -7.515 1.00 0.17 C ATOM 965 C VAL A 59 3.519 -5.461 -8.960 1.00 0.17 C ATOM 966 O VAL A 59 4.605 -5.936 -9.337 1.00 0.18 O ATOM 967 CB VAL A 59 4.134 -4.864 -6.637 1.00 0.18 C ATOM 968 CG1 VAL A 59 4.396 -3.452 -7.133 1.00 0.20 C ATOM 969 CG2 VAL A 59 3.691 -4.834 -5.189 1.00 0.20 C ATOM 0 H VAL A 59 3.730 -7.380 -6.702 1.00 0.19 H new ATOM 0 HA VAL A 59 2.125 -5.083 -7.359 1.00 0.17 H new ATOM 0 HB VAL A 59 5.062 -5.432 -6.705 1.00 0.18 H new ATOM 0 HG11 VAL A 59 5.140 -2.974 -6.495 1.00 0.20 H new ATOM 0 HG12 VAL A 59 4.766 -3.489 -8.157 1.00 0.20 H new ATOM 0 HG13 VAL A 59 3.470 -2.878 -7.103 1.00 0.20 H new ATOM 0 HG21 VAL A 59 4.447 -4.330 -4.587 1.00 0.20 H new ATOM 0 HG22 VAL A 59 2.746 -4.297 -5.109 1.00 0.20 H new ATOM 0 HG23 VAL A 59 3.560 -5.854 -4.827 1.00 0.20 H new ATOM 979 N ASN A 60 2.659 -4.846 -9.753 1.00 0.17 N ATOM 980 CA ASN A 60 2.984 -4.508 -11.122 1.00 0.18 C ATOM 981 C ASN A 60 3.721 -3.187 -11.126 1.00 0.18 C ATOM 982 O ASN A 60 4.562 -2.922 -11.987 1.00 0.21 O ATOM 983 CB ASN A 60 1.717 -4.408 -11.974 1.00 0.23 C ATOM 984 CG ASN A 60 1.034 -5.746 -12.175 1.00 1.14 C ATOM 985 OD1 ASN A 60 1.684 -6.794 -12.228 1.00 2.02 O ATOM 986 ND2 ASN A 60 -0.284 -5.720 -12.285 1.00 1.61 N ATOM 0 H ASN A 60 1.720 -4.569 -9.465 1.00 0.17 H new ATOM 0 HA ASN A 60 3.611 -5.290 -11.551 1.00 0.18 H new ATOM 0 HB2 ASN A 60 1.020 -3.718 -11.499 1.00 0.23 H new ATOM 0 HB3 ASN A 60 1.971 -3.986 -12.946 1.00 0.23 H new ATOM 0 HD21 ASN A 60 -0.802 -6.588 -12.419 1.00 1.61 H new ATOM 0 HD22 ASN A 60 -0.782 -4.831 -12.236 1.00 1.61 H new ATOM 993 N GLY A 61 3.396 -2.357 -10.143 1.00 0.18 N ATOM 994 CA GLY A 61 4.094 -1.108 -9.976 1.00 0.23 C ATOM 995 C GLY A 61 3.332 -0.139 -9.109 1.00 0.21 C ATOM 996 O GLY A 61 2.865 -0.499 -8.028 1.00 0.21 O ATOM 0 H GLY A 61 2.659 -2.532 -9.460 1.00 0.18 H new ATOM 0 HA2 GLY A 61 5.072 -1.297 -9.533 1.00 0.23 H new ATOM 0 HA3 GLY A 61 4.268 -0.658 -10.953 1.00 0.23 H new ATOM 1000 N LEU A 62 3.185 1.082 -9.588 1.00 0.25 N ATOM 1001 CA LEU A 62 2.531 2.129 -8.822 1.00 0.28 C ATOM 1002 C LEU A 62 1.494 2.851 -9.661 1.00 0.32 C ATOM 1003 O LEU A 62 1.554 2.844 -10.890 1.00 0.33 O ATOM 1004 CB LEU A 62 3.560 3.136 -8.313 1.00 0.32 C ATOM 1005 CG LEU A 62 4.510 2.624 -7.238 1.00 0.34 C ATOM 1006 CD1 LEU A 62 5.407 3.749 -6.785 1.00 0.42 C ATOM 1007 CD2 LEU A 62 3.739 2.061 -6.057 1.00 0.35 C ATOM 0 H LEU A 62 3.511 1.375 -10.509 1.00 0.25 H new ATOM 0 HA LEU A 62 2.032 1.659 -7.975 1.00 0.28 H new ATOM 0 HB2 LEU A 62 4.152 3.482 -9.160 1.00 0.32 H new ATOM 0 HB3 LEU A 62 3.029 4.003 -7.920 1.00 0.32 H new ATOM 0 HG LEU A 62 5.116 1.821 -7.658 1.00 0.34 H new ATOM 0 HD11 LEU A 62 6.088 3.384 -6.016 1.00 0.42 H new ATOM 0 HD12 LEU A 62 5.983 4.119 -7.633 1.00 0.42 H new ATOM 0 HD13 LEU A 62 4.799 4.558 -6.378 1.00 0.42 H new ATOM 0 HD21 LEU A 62 4.439 1.702 -5.303 1.00 0.35 H new ATOM 0 HD22 LEU A 62 3.111 2.841 -5.627 1.00 0.35 H new ATOM 0 HD23 LEU A 62 3.112 1.235 -6.392 1.00 0.35 H new ATOM 1019 N SER A 63 0.540 3.459 -8.984 1.00 0.39 N ATOM 1020 CA SER A 63 -0.473 4.259 -9.636 1.00 0.48 C ATOM 1021 C SER A 63 -0.142 5.749 -9.489 1.00 0.49 C ATOM 1022 O SER A 63 0.675 6.129 -8.650 1.00 0.60 O ATOM 1023 CB SER A 63 -1.845 3.908 -9.062 1.00 0.66 C ATOM 1024 OG SER A 63 -2.337 2.711 -9.642 1.00 1.57 O ATOM 0 H SER A 63 0.447 3.412 -7.969 1.00 0.39 H new ATOM 0 HA SER A 63 -0.494 4.040 -10.704 1.00 0.48 H new ATOM 0 HB2 SER A 63 -1.774 3.792 -7.981 1.00 0.66 H new ATOM 0 HB3 SER A 63 -2.543 4.723 -9.250 1.00 0.66 H new ATOM 0 HG SER A 63 -3.254 2.853 -9.957 1.00 1.57 H new ATOM 1030 N ARG A 64 -0.789 6.575 -10.308 1.00 0.66 N ATOM 1031 CA ARG A 64 -0.351 7.951 -10.563 1.00 0.78 C ATOM 1032 C ARG A 64 -0.333 8.848 -9.320 1.00 0.61 C ATOM 1033 O ARG A 64 0.555 9.693 -9.187 1.00 0.71 O ATOM 1034 CB ARG A 64 -1.221 8.564 -11.670 1.00 1.08 C ATOM 1035 CG ARG A 64 -0.884 10.010 -12.008 1.00 1.53 C ATOM 1036 CD ARG A 64 -1.889 10.961 -11.387 1.00 2.14 C ATOM 1037 NE ARG A 64 -3.223 10.794 -11.967 1.00 2.62 N ATOM 1038 CZ ARG A 64 -4.334 10.614 -11.253 1.00 3.27 C ATOM 1039 NH1 ARG A 64 -4.288 10.663 -9.932 1.00 3.51 N ATOM 1040 NH2 ARG A 64 -5.492 10.414 -11.861 1.00 4.02 N ATOM 0 H ARG A 64 -1.633 6.311 -10.816 1.00 0.66 H new ATOM 0 HA ARG A 64 0.689 7.895 -10.885 1.00 0.78 H new ATOM 0 HB2 ARG A 64 -1.119 7.960 -12.572 1.00 1.08 H new ATOM 0 HB3 ARG A 64 -2.266 8.509 -11.366 1.00 1.08 H new ATOM 0 HG2 ARG A 64 0.117 10.248 -11.648 1.00 1.53 H new ATOM 0 HG3 ARG A 64 -0.874 10.142 -13.090 1.00 1.53 H new ATOM 0 HD2 ARG A 64 -1.936 10.790 -10.312 1.00 2.14 H new ATOM 0 HD3 ARG A 64 -1.555 11.989 -11.532 1.00 2.14 H new ATOM 0 HE ARG A 64 -3.308 10.817 -12.983 1.00 2.62 H new ATOM 0 HH11 ARG A 64 -3.402 10.839 -9.459 1.00 3.51 H new ATOM 0 HH12 ARG A 64 -5.139 10.525 -9.387 1.00 3.51 H new ATOM 0 HH21 ARG A 64 -5.537 10.397 -12.880 1.00 4.02 H new ATOM 0 HH22 ARG A 64 -6.340 10.277 -11.311 1.00 4.02 H new ATOM 1054 N ALA A 65 -1.286 8.687 -8.415 1.00 0.44 N ATOM 1055 CA ALA A 65 -1.374 9.596 -7.277 1.00 0.36 C ATOM 1056 C ALA A 65 -1.365 8.871 -5.939 1.00 0.33 C ATOM 1057 O ALA A 65 -1.785 7.718 -5.836 1.00 0.33 O ATOM 1058 CB ALA A 65 -2.615 10.460 -7.388 1.00 0.47 C ATOM 0 H ALA A 65 -1.995 7.954 -8.441 1.00 0.44 H new ATOM 0 HA ALA A 65 -0.483 10.223 -7.308 1.00 0.36 H new ATOM 0 HB1 ALA A 65 -2.667 11.133 -6.532 1.00 0.47 H new ATOM 0 HB2 ALA A 65 -2.571 11.044 -8.307 1.00 0.47 H new ATOM 0 HB3 ALA A 65 -3.500 9.825 -7.405 1.00 0.47 H new ATOM 1064 N PRO A 66 -0.858 9.561 -4.900 1.00 0.36 N ATOM 1065 CA PRO A 66 -0.875 9.077 -3.513 1.00 0.37 C ATOM 1066 C PRO A 66 -2.290 8.858 -2.981 1.00 0.33 C ATOM 1067 O PRO A 66 -3.278 9.325 -3.558 1.00 0.34 O ATOM 1068 CB PRO A 66 -0.192 10.206 -2.732 1.00 0.45 C ATOM 1069 CG PRO A 66 0.606 10.947 -3.744 1.00 0.52 C ATOM 1070 CD PRO A 66 -0.188 10.870 -5.008 1.00 0.41 C ATOM 0 HA PRO A 66 -0.382 8.109 -3.422 1.00 0.37 H new ATOM 0 HB2 PRO A 66 -0.926 10.856 -2.255 1.00 0.45 H new ATOM 0 HB3 PRO A 66 0.444 9.810 -1.941 1.00 0.45 H new ATOM 0 HG2 PRO A 66 0.762 11.982 -3.440 1.00 0.52 H new ATOM 0 HG3 PRO A 66 1.592 10.500 -3.871 1.00 0.52 H new ATOM 0 HD2 PRO A 66 -0.907 11.686 -5.083 1.00 0.41 H new ATOM 0 HD3 PRO A 66 0.451 10.925 -5.890 1.00 0.41 H new ATOM 1078 N ALA A 67 -2.365 8.159 -1.851 1.00 0.35 N ATOM 1079 CA ALA A 67 -3.635 7.739 -1.265 1.00 0.35 C ATOM 1080 C ALA A 67 -4.448 8.922 -0.755 1.00 0.32 C ATOM 1081 O ALA A 67 -5.659 8.813 -0.558 1.00 0.34 O ATOM 1082 CB ALA A 67 -3.383 6.751 -0.134 1.00 0.40 C ATOM 0 H ALA A 67 -1.547 7.868 -1.316 1.00 0.35 H new ATOM 0 HA ALA A 67 -4.217 7.257 -2.050 1.00 0.35 H new ATOM 0 HB1 ALA A 67 -4.335 6.442 0.298 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -2.861 5.877 -0.524 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -2.773 7.225 0.634 1.00 0.40 H new ATOM 1088 N SER A 68 -3.778 10.042 -0.535 1.00 0.36 N ATOM 1089 CA SER A 68 -4.438 11.247 -0.062 1.00 0.39 C ATOM 1090 C SER A 68 -5.040 12.037 -1.223 1.00 0.39 C ATOM 1091 O SER A 68 -5.837 12.951 -1.019 1.00 0.47 O ATOM 1092 CB SER A 68 -3.433 12.103 0.708 1.00 0.46 C ATOM 1093 OG SER A 68 -2.189 12.152 0.027 1.00 1.08 O ATOM 0 H SER A 68 -2.773 10.141 -0.677 1.00 0.36 H new ATOM 0 HA SER A 68 -5.256 10.965 0.601 1.00 0.39 H new ATOM 0 HB2 SER A 68 -3.826 13.112 0.830 1.00 0.46 H new ATOM 0 HB3 SER A 68 -3.290 11.693 1.708 1.00 0.46 H new ATOM 0 HG SER A 68 -1.458 12.099 0.677 1.00 1.08 H new ATOM 1099 N SER A 69 -4.656 11.675 -2.440 1.00 0.37 N ATOM 1100 CA SER A 69 -5.129 12.368 -3.626 1.00 0.41 C ATOM 1101 C SER A 69 -6.306 11.632 -4.258 1.00 0.43 C ATOM 1102 O SER A 69 -7.338 12.238 -4.566 1.00 0.58 O ATOM 1103 CB SER A 69 -3.990 12.494 -4.639 1.00 0.48 C ATOM 1104 OG SER A 69 -2.841 13.072 -4.042 1.00 1.15 O ATOM 0 H SER A 69 -4.017 10.903 -2.630 1.00 0.37 H new ATOM 0 HA SER A 69 -5.467 13.361 -3.331 1.00 0.41 H new ATOM 0 HB2 SER A 69 -3.742 11.510 -5.037 1.00 0.48 H new ATOM 0 HB3 SER A 69 -4.313 13.106 -5.481 1.00 0.48 H new ATOM 0 HG SER A 69 -2.256 13.432 -4.740 1.00 1.15 H new ATOM 1110 N GLU A 70 -6.152 10.327 -4.436 1.00 0.40 N ATOM 1111 CA GLU A 70 -7.146 9.522 -5.134 1.00 0.47 C ATOM 1112 C GLU A 70 -8.408 9.336 -4.308 1.00 0.45 C ATOM 1113 O GLU A 70 -8.351 8.976 -3.131 1.00 0.40 O ATOM 1114 CB GLU A 70 -6.562 8.165 -5.511 1.00 0.53 C ATOM 1115 CG GLU A 70 -5.401 8.264 -6.483 1.00 0.69 C ATOM 1116 CD GLU A 70 -5.797 8.912 -7.796 1.00 0.71 C ATOM 1117 OE1 GLU A 70 -5.917 10.154 -7.842 1.00 0.79 O ATOM 1118 OE2 GLU A 70 -5.969 8.189 -8.795 1.00 1.09 O ATOM 0 H GLU A 70 -5.344 9.801 -4.105 1.00 0.40 H new ATOM 0 HA GLU A 70 -7.421 10.060 -6.041 1.00 0.47 H new ATOM 0 HB2 GLU A 70 -6.228 7.656 -4.607 1.00 0.53 H new ATOM 0 HB3 GLU A 70 -7.346 7.549 -5.952 1.00 0.53 H new ATOM 0 HG2 GLU A 70 -4.596 8.840 -6.026 1.00 0.69 H new ATOM 0 HG3 GLU A 70 -5.008 7.266 -6.678 1.00 0.69 H new ATOM 1125 N THR A 71 -9.543 9.585 -4.943 1.00 0.57 N ATOM 1126 CA THR A 71 -10.838 9.418 -4.313 1.00 0.59 C ATOM 1127 C THR A 71 -11.622 8.306 -4.994 1.00 0.67 C ATOM 1128 O THR A 71 -11.382 7.992 -6.160 1.00 0.75 O ATOM 1129 CB THR A 71 -11.664 10.717 -4.379 1.00 0.67 C ATOM 1130 OG1 THR A 71 -11.716 11.209 -5.725 1.00 0.93 O ATOM 1131 CG2 THR A 71 -11.078 11.781 -3.474 1.00 0.67 C ATOM 0 H THR A 71 -9.589 9.908 -5.909 1.00 0.57 H new ATOM 0 HA THR A 71 -10.659 9.161 -3.269 1.00 0.59 H new ATOM 0 HB THR A 71 -12.674 10.486 -4.039 1.00 0.67 H new ATOM 0 HG1 THR A 71 -12.245 12.033 -5.752 1.00 0.93 H new ATOM 0 HG21 THR A 71 -11.680 12.687 -3.540 1.00 0.67 H new ATOM 0 HG22 THR A 71 -11.075 11.422 -2.445 1.00 0.67 H new ATOM 0 HG23 THR A 71 -10.057 12.001 -3.785 1.00 0.67 H new ATOM 1139 N PHE A 72 -12.548 7.708 -4.265 1.00 0.67 N ATOM 1140 CA PHE A 72 -13.446 6.724 -4.841 1.00 0.74 C ATOM 1141 C PHE A 72 -14.856 6.941 -4.318 1.00 0.76 C ATOM 1142 O PHE A 72 -15.055 7.579 -3.280 1.00 0.74 O ATOM 1143 CB PHE A 72 -12.964 5.291 -4.562 1.00 0.75 C ATOM 1144 CG PHE A 72 -12.866 4.922 -3.106 1.00 0.67 C ATOM 1145 CD1 PHE A 72 -11.715 5.192 -2.384 1.00 0.56 C ATOM 1146 CD2 PHE A 72 -13.933 4.323 -2.456 1.00 0.74 C ATOM 1147 CE1 PHE A 72 -11.627 4.867 -1.045 1.00 0.51 C ATOM 1148 CE2 PHE A 72 -13.853 3.998 -1.116 1.00 0.69 C ATOM 1149 CZ PHE A 72 -12.672 4.214 -0.426 1.00 0.57 C ATOM 0 H PHE A 72 -12.697 7.887 -3.272 1.00 0.67 H new ATOM 0 HA PHE A 72 -13.451 6.855 -5.923 1.00 0.74 H new ATOM 0 HB2 PHE A 72 -13.643 4.594 -5.052 1.00 0.75 H new ATOM 0 HB3 PHE A 72 -11.984 5.158 -5.021 1.00 0.75 H new ATOM 0 HD1 PHE A 72 -10.876 5.663 -2.875 1.00 0.56 H new ATOM 0 HD2 PHE A 72 -14.838 4.108 -3.004 1.00 0.74 H new ATOM 0 HE1 PHE A 72 -10.741 5.124 -0.483 1.00 0.51 H new ATOM 0 HE2 PHE A 72 -14.708 3.577 -0.608 1.00 0.69 H new ATOM 0 HZ PHE A 72 -12.570 3.872 0.593 1.00 0.57 H new ATOM 1159 N GLU A 73 -15.827 6.421 -5.047 1.00 0.83 N ATOM 1160 CA GLU A 73 -17.223 6.644 -4.733 1.00 0.86 C ATOM 1161 C GLU A 73 -17.697 5.630 -3.699 1.00 0.87 C ATOM 1162 O GLU A 73 -17.662 4.418 -3.927 1.00 0.89 O ATOM 1163 CB GLU A 73 -18.054 6.574 -6.021 1.00 0.97 C ATOM 1164 CG GLU A 73 -19.483 7.079 -5.891 1.00 1.02 C ATOM 1165 CD GLU A 73 -20.418 6.071 -5.259 1.00 1.29 C ATOM 1166 OE1 GLU A 73 -20.417 4.898 -5.695 1.00 1.34 O ATOM 1167 OE2 GLU A 73 -21.170 6.443 -4.338 1.00 1.68 O ATOM 0 H GLU A 73 -15.670 5.836 -5.868 1.00 0.83 H new ATOM 0 HA GLU A 73 -17.351 7.636 -4.300 1.00 0.86 H new ATOM 0 HB2 GLU A 73 -17.549 7.153 -6.794 1.00 0.97 H new ATOM 0 HB3 GLU A 73 -18.080 5.540 -6.363 1.00 0.97 H new ATOM 0 HG2 GLU A 73 -19.486 7.991 -5.294 1.00 1.02 H new ATOM 0 HG3 GLU A 73 -19.859 7.343 -6.879 1.00 1.02 H new ATOM 1174 N HIS A 74 -18.128 6.144 -2.563 1.00 0.90 N ATOM 1175 CA HIS A 74 -18.564 5.326 -1.449 1.00 0.97 C ATOM 1176 C HIS A 74 -19.896 5.838 -0.906 1.00 1.09 C ATOM 1177 O HIS A 74 -19.944 6.846 -0.202 1.00 1.06 O ATOM 1178 CB HIS A 74 -17.495 5.337 -0.349 1.00 0.90 C ATOM 1179 CG HIS A 74 -17.883 4.583 0.886 1.00 1.06 C ATOM 1180 ND1 HIS A 74 -17.993 5.209 2.102 1.00 1.78 N ATOM 1181 CD2 HIS A 74 -18.174 3.272 1.036 1.00 1.09 C ATOM 1182 CE1 HIS A 74 -18.349 4.270 2.959 1.00 1.77 C ATOM 1183 NE2 HIS A 74 -18.472 3.078 2.361 1.00 1.20 N ATOM 0 H HIS A 74 -18.186 7.147 -2.387 1.00 0.90 H new ATOM 0 HA HIS A 74 -18.706 4.301 -1.793 1.00 0.97 H new ATOM 0 HB2 HIS A 74 -16.574 4.912 -0.748 1.00 0.90 H new ATOM 0 HB3 HIS A 74 -17.278 6.370 -0.078 1.00 0.90 H new ATOM 0 HD2 HIS A 74 -18.172 2.520 0.261 1.00 1.09 H new ATOM 0 HE1 HIS A 74 -18.520 4.442 4.011 1.00 1.77 H new ATOM 0 HE2 HIS A 74 -18.736 2.198 2.804 1.00 1.20 H new ATOM 1191 N ASP A 75 -20.971 5.152 -1.281 1.00 1.29 N ATOM 1192 CA ASP A 75 -22.319 5.460 -0.794 1.00 1.48 C ATOM 1193 C ASP A 75 -22.686 6.930 -0.999 1.00 1.39 C ATOM 1194 O ASP A 75 -23.256 7.569 -0.112 1.00 1.46 O ATOM 1195 CB ASP A 75 -22.471 5.088 0.687 1.00 1.61 C ATOM 1196 CG ASP A 75 -22.766 3.616 0.905 1.00 2.16 C ATOM 1197 OD1 ASP A 75 -23.707 3.093 0.265 1.00 2.30 O ATOM 1198 OD2 ASP A 75 -22.086 2.983 1.743 1.00 2.80 O ATOM 0 H ASP A 75 -20.936 4.366 -1.931 1.00 1.29 H new ATOM 0 HA ASP A 75 -23.007 4.856 -1.386 1.00 1.48 H new ATOM 0 HB2 ASP A 75 -21.556 5.351 1.217 1.00 1.61 H new ATOM 0 HB3 ASP A 75 -23.274 5.682 1.124 1.00 1.61 H new ATOM 1203 N GLY A 76 -22.370 7.459 -2.172 1.00 1.28 N ATOM 1204 CA GLY A 76 -22.714 8.833 -2.493 1.00 1.24 C ATOM 1205 C GLY A 76 -21.616 9.813 -2.130 1.00 1.14 C ATOM 1206 O GLY A 76 -21.658 10.980 -2.525 1.00 1.18 O ATOM 0 H GLY A 76 -21.878 6.959 -2.913 1.00 1.28 H new ATOM 0 HA2 GLY A 76 -22.926 8.910 -3.559 1.00 1.24 H new ATOM 0 HA3 GLY A 76 -23.628 9.107 -1.966 1.00 1.24 H new ATOM 1210 N LYS A 77 -20.636 9.344 -1.377 1.00 1.07 N ATOM 1211 CA LYS A 77 -19.501 10.169 -0.993 1.00 1.00 C ATOM 1212 C LYS A 77 -18.315 9.842 -1.887 1.00 0.89 C ATOM 1213 O LYS A 77 -18.249 8.760 -2.458 1.00 0.88 O ATOM 1214 CB LYS A 77 -19.105 9.904 0.467 1.00 1.04 C ATOM 1215 CG LYS A 77 -20.269 9.820 1.443 1.00 1.37 C ATOM 1216 CD LYS A 77 -20.928 11.167 1.681 1.00 1.58 C ATOM 1217 CE LYS A 77 -21.998 11.058 2.755 1.00 1.77 C ATOM 1218 NZ LYS A 77 -22.652 12.361 3.035 1.00 2.07 N ATOM 0 H LYS A 77 -20.603 8.390 -1.017 1.00 1.07 H new ATOM 0 HA LYS A 77 -19.783 11.216 -1.101 1.00 1.00 H new ATOM 0 HB2 LYS A 77 -18.544 8.970 0.512 1.00 1.04 H new ATOM 0 HB3 LYS A 77 -18.432 10.696 0.795 1.00 1.04 H new ATOM 0 HG2 LYS A 77 -21.011 9.119 1.059 1.00 1.37 H new ATOM 0 HG3 LYS A 77 -19.914 9.420 2.393 1.00 1.37 H new ATOM 0 HD2 LYS A 77 -20.177 11.897 1.982 1.00 1.58 H new ATOM 0 HD3 LYS A 77 -21.372 11.530 0.754 1.00 1.58 H new ATOM 0 HE2 LYS A 77 -22.752 10.336 2.441 1.00 1.77 H new ATOM 0 HE3 LYS A 77 -21.551 10.674 3.672 1.00 1.77 H new ATOM 0 HZ1 LYS A 77 -23.374 12.236 3.773 1.00 2.07 H new ATOM 0 HZ2 LYS A 77 -21.939 13.045 3.360 1.00 2.07 H new ATOM 0 HZ3 LYS A 77 -23.102 12.717 2.168 1.00 2.07 H new ATOM 1232 N LYS A 78 -17.395 10.776 -2.028 1.00 0.90 N ATOM 1233 CA LYS A 78 -16.126 10.488 -2.674 1.00 0.83 C ATOM 1234 C LYS A 78 -14.992 10.713 -1.690 1.00 0.73 C ATOM 1235 O LYS A 78 -14.517 11.836 -1.506 1.00 0.81 O ATOM 1236 CB LYS A 78 -15.931 11.335 -3.932 1.00 0.92 C ATOM 1237 CG LYS A 78 -16.773 10.873 -5.109 1.00 1.01 C ATOM 1238 CD LYS A 78 -16.531 11.736 -6.335 1.00 1.23 C ATOM 1239 CE LYS A 78 -15.108 11.593 -6.856 1.00 1.77 C ATOM 1240 NZ LYS A 78 -14.849 12.500 -8.003 1.00 2.36 N ATOM 0 H LYS A 78 -17.500 11.738 -1.706 1.00 0.90 H new ATOM 0 HA LYS A 78 -16.127 9.444 -2.987 1.00 0.83 H new ATOM 0 HB2 LYS A 78 -16.177 12.372 -3.704 1.00 0.92 H new ATOM 0 HB3 LYS A 78 -14.879 11.312 -4.217 1.00 0.92 H new ATOM 0 HG2 LYS A 78 -16.538 9.834 -5.341 1.00 1.01 H new ATOM 0 HG3 LYS A 78 -17.829 10.909 -4.840 1.00 1.01 H new ATOM 0 HD2 LYS A 78 -17.235 11.458 -7.120 1.00 1.23 H new ATOM 0 HD3 LYS A 78 -16.724 12.780 -6.088 1.00 1.23 H new ATOM 0 HE2 LYS A 78 -14.403 11.811 -6.054 1.00 1.77 H new ATOM 0 HE3 LYS A 78 -14.934 10.561 -7.162 1.00 1.77 H new ATOM 0 HZ1 LYS A 78 -13.870 12.374 -8.331 1.00 2.36 H new ATOM 0 HZ2 LYS A 78 -15.505 12.276 -8.778 1.00 2.36 H new ATOM 0 HZ3 LYS A 78 -14.990 13.486 -7.705 1.00 2.36 H new ATOM 1254 N VAL A 79 -14.572 9.636 -1.056 1.00 0.63 N ATOM 1255 CA VAL A 79 -13.543 9.699 -0.034 1.00 0.54 C ATOM 1256 C VAL A 79 -12.196 9.314 -0.627 1.00 0.48 C ATOM 1257 O VAL A 79 -12.131 8.544 -1.588 1.00 0.51 O ATOM 1258 CB VAL A 79 -13.875 8.764 1.153 1.00 0.53 C ATOM 1259 CG1 VAL A 79 -15.195 9.159 1.799 1.00 0.63 C ATOM 1260 CG2 VAL A 79 -13.923 7.309 0.709 1.00 0.56 C ATOM 0 H VAL A 79 -14.931 8.698 -1.232 1.00 0.63 H new ATOM 0 HA VAL A 79 -13.500 10.723 0.337 1.00 0.54 H new ATOM 0 HB VAL A 79 -13.080 8.871 1.890 1.00 0.53 H new ATOM 0 HG11 VAL A 79 -15.408 8.488 2.631 1.00 0.63 H new ATOM 0 HG12 VAL A 79 -15.128 10.183 2.167 1.00 0.63 H new ATOM 0 HG13 VAL A 79 -15.996 9.089 1.063 1.00 0.63 H new ATOM 0 HG21 VAL A 79 -14.158 6.675 1.564 1.00 0.56 H new ATOM 0 HG22 VAL A 79 -14.690 7.187 -0.055 1.00 0.56 H new ATOM 0 HG23 VAL A 79 -12.955 7.021 0.300 1.00 0.56 H new ATOM 1270 N THR A 80 -11.126 9.866 -0.078 1.00 0.42 N ATOM 1271 CA THR A 80 -9.792 9.510 -0.523 1.00 0.37 C ATOM 1272 C THR A 80 -9.395 8.179 0.092 1.00 0.33 C ATOM 1273 O THR A 80 -10.000 7.756 1.084 1.00 0.32 O ATOM 1274 CB THR A 80 -8.743 10.576 -0.138 1.00 0.34 C ATOM 1275 OG1 THR A 80 -8.654 10.681 1.288 1.00 0.35 O ATOM 1276 CG2 THR A 80 -9.095 11.937 -0.722 1.00 0.46 C ATOM 0 H THR A 80 -11.156 10.557 0.671 1.00 0.42 H new ATOM 0 HA THR A 80 -9.816 9.443 -1.611 1.00 0.37 H new ATOM 0 HB THR A 80 -7.783 10.262 -0.548 1.00 0.34 H new ATOM 0 HG1 THR A 80 -7.986 11.358 1.525 1.00 0.35 H new ATOM 0 HG21 THR A 80 -8.337 12.664 -0.432 1.00 0.46 H new ATOM 0 HG22 THR A 80 -9.134 11.867 -1.809 1.00 0.46 H new ATOM 0 HG23 THR A 80 -10.066 12.255 -0.343 1.00 0.46 H new ATOM 1284 N ILE A 81 -8.403 7.515 -0.481 1.00 0.32 N ATOM 1285 CA ILE A 81 -7.904 6.271 0.090 1.00 0.31 C ATOM 1286 C ILE A 81 -7.482 6.520 1.539 1.00 0.27 C ATOM 1287 O ILE A 81 -7.798 5.744 2.442 1.00 0.29 O ATOM 1288 CB ILE A 81 -6.701 5.712 -0.707 1.00 0.34 C ATOM 1289 CG1 ILE A 81 -6.999 5.695 -2.212 1.00 0.38 C ATOM 1290 CG2 ILE A 81 -6.345 4.310 -0.224 1.00 0.34 C ATOM 1291 CD1 ILE A 81 -8.152 4.793 -2.602 1.00 0.40 C ATOM 0 H ILE A 81 -7.930 7.813 -1.334 1.00 0.32 H new ATOM 0 HA ILE A 81 -8.705 5.533 0.045 1.00 0.31 H new ATOM 0 HB ILE A 81 -5.849 6.369 -0.535 1.00 0.34 H new ATOM 0 HG12 ILE A 81 -7.219 6.711 -2.540 1.00 0.38 H new ATOM 0 HG13 ILE A 81 -6.104 5.375 -2.746 1.00 0.38 H new ATOM 0 HG21 ILE A 81 -5.497 3.933 -0.796 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -6.083 4.345 0.833 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -7.200 3.649 -0.364 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -8.299 4.836 -3.681 1.00 0.40 H new ATOM 0 HD12 ILE A 81 -7.928 3.768 -2.307 1.00 0.40 H new ATOM 0 HD13 ILE A 81 -9.060 5.125 -2.098 1.00 0.40 H new ATOM 1303 N ALA A 82 -6.805 7.647 1.745 1.00 0.26 N ATOM 1304 CA ALA A 82 -6.338 8.049 3.065 1.00 0.25 C ATOM 1305 C ALA A 82 -7.498 8.277 4.027 1.00 0.24 C ATOM 1306 O ALA A 82 -7.486 7.770 5.148 1.00 0.26 O ATOM 1307 CB ALA A 82 -5.492 9.307 2.962 1.00 0.26 C ATOM 0 H ALA A 82 -6.566 8.304 1.002 1.00 0.26 H new ATOM 0 HA ALA A 82 -5.730 7.236 3.462 1.00 0.25 H new ATOM 0 HB1 ALA A 82 -5.149 9.597 3.955 1.00 0.26 H new ATOM 0 HB2 ALA A 82 -4.631 9.115 2.322 1.00 0.26 H new ATOM 0 HB3 ALA A 82 -6.089 10.113 2.534 1.00 0.26 H new ATOM 1313 N SER A 83 -8.497 9.035 3.589 1.00 0.26 N ATOM 1314 CA SER A 83 -9.648 9.343 4.430 1.00 0.28 C ATOM 1315 C SER A 83 -10.452 8.090 4.765 1.00 0.26 C ATOM 1316 O SER A 83 -11.041 8.005 5.840 1.00 0.27 O ATOM 1317 CB SER A 83 -10.550 10.384 3.762 1.00 0.34 C ATOM 1318 OG SER A 83 -9.913 11.652 3.712 1.00 1.16 O ATOM 0 H SER A 83 -8.533 9.447 2.657 1.00 0.26 H new ATOM 0 HA SER A 83 -9.264 9.757 5.362 1.00 0.28 H new ATOM 0 HB2 SER A 83 -10.801 10.059 2.752 1.00 0.34 H new ATOM 0 HB3 SER A 83 -11.487 10.465 4.313 1.00 0.34 H new ATOM 0 HG SER A 83 -9.331 11.695 2.924 1.00 1.16 H new ATOM 1324 N TYR A 84 -10.475 7.118 3.862 1.00 0.27 N ATOM 1325 CA TYR A 84 -11.191 5.877 4.127 1.00 0.29 C ATOM 1326 C TYR A 84 -10.490 5.088 5.229 1.00 0.27 C ATOM 1327 O TYR A 84 -11.131 4.588 6.155 1.00 0.29 O ATOM 1328 CB TYR A 84 -11.314 5.024 2.864 1.00 0.34 C ATOM 1329 CG TYR A 84 -12.171 3.793 3.063 1.00 0.46 C ATOM 1330 CD1 TYR A 84 -13.545 3.896 3.252 1.00 0.60 C ATOM 1331 CD2 TYR A 84 -11.604 2.525 3.051 1.00 0.56 C ATOM 1332 CE1 TYR A 84 -14.326 2.767 3.424 1.00 0.74 C ATOM 1333 CE2 TYR A 84 -12.378 1.395 3.220 1.00 0.71 C ATOM 1334 CZ TYR A 84 -13.758 1.542 3.451 1.00 0.78 C ATOM 1335 OH TYR A 84 -14.511 0.392 3.573 1.00 0.95 O ATOM 0 H TYR A 84 -10.014 7.163 2.953 1.00 0.27 H new ATOM 0 HA TYR A 84 -12.197 6.135 4.457 1.00 0.29 H new ATOM 0 HB2 TYR A 84 -11.738 5.630 2.063 1.00 0.34 H new ATOM 0 HB3 TYR A 84 -10.319 4.719 2.540 1.00 0.34 H new ATOM 0 HD1 TYR A 84 -14.009 4.871 3.265 1.00 0.60 H new ATOM 0 HD2 TYR A 84 -10.539 2.422 2.907 1.00 0.56 H new ATOM 0 HE1 TYR A 84 -15.395 2.866 3.537 1.00 0.74 H new ATOM 0 HE2 TYR A 84 -11.931 0.413 3.176 1.00 0.71 H new ATOM 0 HH TYR A 84 -13.919 -0.389 3.572 1.00 0.95 H new ATOM 1345 N PHE A 85 -9.169 4.994 5.133 1.00 0.27 N ATOM 1346 CA PHE A 85 -8.375 4.320 6.152 1.00 0.27 C ATOM 1347 C PHE A 85 -8.455 5.072 7.472 1.00 0.28 C ATOM 1348 O PHE A 85 -8.576 4.465 8.537 1.00 0.31 O ATOM 1349 CB PHE A 85 -6.919 4.178 5.697 1.00 0.29 C ATOM 1350 CG PHE A 85 -6.697 3.013 4.772 1.00 0.27 C ATOM 1351 CD1 PHE A 85 -7.301 2.965 3.525 1.00 0.27 C ATOM 1352 CD2 PHE A 85 -5.890 1.959 5.161 1.00 0.36 C ATOM 1353 CE1 PHE A 85 -7.103 1.887 2.686 1.00 0.29 C ATOM 1354 CE2 PHE A 85 -5.688 0.880 4.324 1.00 0.37 C ATOM 1355 CZ PHE A 85 -6.294 0.842 3.087 1.00 0.29 C ATOM 0 H PHE A 85 -8.625 5.376 4.359 1.00 0.27 H new ATOM 0 HA PHE A 85 -8.783 3.320 6.301 1.00 0.27 H new ATOM 0 HB2 PHE A 85 -6.611 5.095 5.195 1.00 0.29 H new ATOM 0 HB3 PHE A 85 -6.281 4.064 6.573 1.00 0.29 H new ATOM 0 HD1 PHE A 85 -7.934 3.780 3.206 1.00 0.27 H new ATOM 0 HD2 PHE A 85 -5.413 1.980 6.130 1.00 0.36 H new ATOM 0 HE1 PHE A 85 -7.580 1.861 1.717 1.00 0.29 H new ATOM 0 HE2 PHE A 85 -5.054 0.064 4.639 1.00 0.37 H new ATOM 0 HZ PHE A 85 -6.137 -0.003 2.433 1.00 0.29 H new ATOM 1365 N HIS A 86 -8.414 6.395 7.391 1.00 0.27 N ATOM 1366 CA HIS A 86 -8.545 7.245 8.567 1.00 0.29 C ATOM 1367 C HIS A 86 -9.909 7.037 9.223 1.00 0.31 C ATOM 1368 O HIS A 86 -10.014 6.956 10.449 1.00 0.36 O ATOM 1369 CB HIS A 86 -8.352 8.717 8.182 1.00 0.30 C ATOM 1370 CG HIS A 86 -8.462 9.664 9.338 1.00 0.46 C ATOM 1371 ND1 HIS A 86 -9.474 10.585 9.414 1.00 0.56 N ATOM 1372 CD2 HIS A 86 -7.670 9.784 10.431 1.00 0.74 C ATOM 1373 CE1 HIS A 86 -9.281 11.242 10.546 1.00 0.75 C ATOM 1374 NE2 HIS A 86 -8.199 10.792 11.197 1.00 0.85 N ATOM 0 H HIS A 86 -8.290 6.906 6.517 1.00 0.27 H new ATOM 0 HA HIS A 86 -7.772 6.971 9.285 1.00 0.29 H new ATOM 0 HB2 HIS A 86 -7.373 8.836 7.719 1.00 0.30 H new ATOM 0 HB3 HIS A 86 -9.095 8.987 7.431 1.00 0.30 H new ATOM 0 HD2 HIS A 86 -6.791 9.198 10.656 1.00 0.74 H new ATOM 0 HE1 HIS A 86 -9.915 12.041 10.901 1.00 0.75 H new ATOM 0 HE2 HIS A 86 -7.839 11.133 12.088 1.00 0.85 H new ATOM 1382 N SER A 87 -10.942 6.930 8.396 1.00 0.29 N ATOM 1383 CA SER A 87 -12.295 6.691 8.878 1.00 0.35 C ATOM 1384 C SER A 87 -12.396 5.306 9.512 1.00 0.41 C ATOM 1385 O SER A 87 -13.227 5.069 10.388 1.00 0.48 O ATOM 1386 CB SER A 87 -13.296 6.831 7.725 1.00 0.36 C ATOM 1387 OG SER A 87 -14.638 6.764 8.182 1.00 1.31 O ATOM 0 H SER A 87 -10.866 7.006 7.382 1.00 0.29 H new ATOM 0 HA SER A 87 -12.535 7.434 9.639 1.00 0.35 H new ATOM 0 HB2 SER A 87 -13.133 7.780 7.215 1.00 0.36 H new ATOM 0 HB3 SER A 87 -13.121 6.042 6.994 1.00 0.36 H new ATOM 0 HG SER A 87 -15.248 6.858 7.421 1.00 1.31 H new ATOM 1393 N ARG A 88 -11.528 4.400 9.077 1.00 0.40 N ATOM 1394 CA ARG A 88 -11.483 3.053 9.629 1.00 0.46 C ATOM 1395 C ARG A 88 -10.548 3.016 10.841 1.00 0.48 C ATOM 1396 O ARG A 88 -10.038 1.963 11.223 1.00 0.57 O ATOM 1397 CB ARG A 88 -11.020 2.056 8.559 1.00 0.49 C ATOM 1398 CG ARG A 88 -11.351 0.604 8.881 1.00 1.05 C ATOM 1399 CD ARG A 88 -12.846 0.357 8.814 1.00 1.21 C ATOM 1400 NE ARG A 88 -13.212 -0.974 9.300 1.00 1.92 N ATOM 1401 CZ ARG A 88 -14.455 -1.460 9.270 1.00 2.62 C ATOM 1402 NH1 ARG A 88 -15.450 -0.725 8.790 1.00 2.84 N ATOM 1403 NH2 ARG A 88 -14.704 -2.680 9.733 1.00 3.55 N ATOM 0 H ARG A 88 -10.844 4.576 8.341 1.00 0.40 H new ATOM 0 HA ARG A 88 -12.484 2.768 9.953 1.00 0.46 H new ATOM 0 HB2 ARG A 88 -11.480 2.320 7.607 1.00 0.49 H new ATOM 0 HB3 ARG A 88 -9.942 2.152 8.429 1.00 0.49 H new ATOM 0 HG2 ARG A 88 -10.839 -0.053 8.178 1.00 1.05 H new ATOM 0 HG3 ARG A 88 -10.983 0.356 9.876 1.00 1.05 H new ATOM 0 HD2 ARG A 88 -13.364 1.112 9.406 1.00 1.21 H new ATOM 0 HD3 ARG A 88 -13.185 0.471 7.784 1.00 1.21 H new ATOM 0 HE ARG A 88 -12.474 -1.565 9.684 1.00 1.92 H new ATOM 0 HH11 ARG A 88 -15.267 0.216 8.442 1.00 2.84 H new ATOM 0 HH12 ARG A 88 -16.398 -1.101 8.769 1.00 2.84 H new ATOM 0 HH21 ARG A 88 -13.945 -3.246 10.112 1.00 3.55 H new ATOM 0 HH22 ARG A 88 -15.654 -3.050 9.710 1.00 3.55 H new ATOM 1417 N ASN A 89 -10.315 4.194 11.416 1.00 0.45 N ATOM 1418 CA ASN A 89 -9.537 4.348 12.645 1.00 0.47 C ATOM 1419 C ASN A 89 -8.068 3.969 12.428 1.00 0.48 C ATOM 1420 O ASN A 89 -7.404 3.454 13.326 1.00 0.67 O ATOM 1421 CB ASN A 89 -10.150 3.518 13.785 1.00 0.55 C ATOM 1422 CG ASN A 89 -9.637 3.921 15.161 1.00 0.99 C ATOM 1423 OD1 ASN A 89 -9.337 5.202 15.338 1.00 1.45 O flip ATOM 1424 ND2 ASN A 89 -9.530 3.089 16.064 1.00 1.98 N flip ATOM 0 H ASN A 89 -10.663 5.076 11.040 1.00 0.45 H new ATOM 0 HA ASN A 89 -9.570 5.400 12.928 1.00 0.47 H new ATOM 0 HB2 ASN A 89 -11.234 3.626 13.762 1.00 0.55 H new ATOM 0 HB3 ASN A 89 -9.931 2.464 13.617 1.00 0.55 H new ATOM 0 HD21 ASN A 89 -9.770 2.113 15.889 1.00 1.98 H new ATOM 0 HD22 ASN A 89 -9.201 3.376 16.986 1.00 1.98 H new ATOM 1431 N TYR A 90 -7.563 4.222 11.229 1.00 0.39 N ATOM 1432 CA TYR A 90 -6.147 4.031 10.949 1.00 0.38 C ATOM 1433 C TYR A 90 -5.596 5.236 10.198 1.00 0.32 C ATOM 1434 O TYR A 90 -5.651 5.297 8.970 1.00 0.36 O ATOM 1435 CB TYR A 90 -5.910 2.746 10.147 1.00 0.41 C ATOM 1436 CG TYR A 90 -4.445 2.420 9.942 1.00 0.40 C ATOM 1437 CD1 TYR A 90 -3.633 2.058 11.010 1.00 0.45 C ATOM 1438 CD2 TYR A 90 -3.875 2.471 8.676 1.00 0.44 C ATOM 1439 CE1 TYR A 90 -2.296 1.757 10.823 1.00 0.49 C ATOM 1440 CE2 TYR A 90 -2.539 2.170 8.481 1.00 0.46 C ATOM 1441 CZ TYR A 90 -1.748 1.828 9.576 1.00 0.45 C ATOM 1442 OH TYR A 90 -0.422 1.516 9.364 1.00 0.52 O ATOM 0 H TYR A 90 -8.110 4.559 10.437 1.00 0.39 H new ATOM 0 HA TYR A 90 -5.621 3.934 11.899 1.00 0.38 H new ATOM 0 HB2 TYR A 90 -6.390 1.913 10.661 1.00 0.41 H new ATOM 0 HB3 TYR A 90 -6.392 2.841 9.174 1.00 0.41 H new ATOM 0 HD1 TYR A 90 -4.053 2.011 12.004 1.00 0.45 H new ATOM 0 HD2 TYR A 90 -4.485 2.750 7.830 1.00 0.44 H new ATOM 0 HE1 TYR A 90 -1.686 1.466 11.665 1.00 0.49 H new ATOM 0 HE2 TYR A 90 -2.113 2.200 7.489 1.00 0.46 H new ATOM 0 HH TYR A 90 -0.004 2.216 8.820 1.00 0.52 H new ATOM 1452 N PRO A 91 -5.074 6.228 10.934 1.00 0.32 N ATOM 1453 CA PRO A 91 -4.490 7.425 10.334 1.00 0.33 C ATOM 1454 C PRO A 91 -3.189 7.113 9.599 1.00 0.33 C ATOM 1455 O PRO A 91 -2.191 6.722 10.212 1.00 0.37 O ATOM 1456 CB PRO A 91 -4.231 8.341 11.535 1.00 0.40 C ATOM 1457 CG PRO A 91 -4.113 7.423 12.701 1.00 0.44 C ATOM 1458 CD PRO A 91 -5.010 6.254 12.406 1.00 0.41 C ATOM 0 HA PRO A 91 -5.143 7.873 9.585 1.00 0.33 H new ATOM 0 HB2 PRO A 91 -3.320 8.924 11.398 1.00 0.40 H new ATOM 0 HB3 PRO A 91 -5.046 9.051 11.673 1.00 0.40 H new ATOM 0 HG2 PRO A 91 -3.082 7.098 12.838 1.00 0.44 H new ATOM 0 HG3 PRO A 91 -4.414 7.922 13.622 1.00 0.44 H new ATOM 0 HD2 PRO A 91 -4.603 5.325 12.806 1.00 0.41 H new ATOM 0 HD3 PRO A 91 -5.998 6.385 12.848 1.00 0.41 H new ATOM 1466 N LEU A 92 -3.211 7.263 8.281 1.00 0.33 N ATOM 1467 CA LEU A 92 -2.031 7.020 7.469 1.00 0.35 C ATOM 1468 C LEU A 92 -0.950 8.047 7.785 1.00 0.38 C ATOM 1469 O LEU A 92 -1.134 9.250 7.581 1.00 0.40 O ATOM 1470 CB LEU A 92 -2.381 7.056 5.978 1.00 0.36 C ATOM 1471 CG LEU A 92 -3.294 5.927 5.497 1.00 0.36 C ATOM 1472 CD1 LEU A 92 -3.573 6.068 4.010 1.00 0.37 C ATOM 1473 CD2 LEU A 92 -2.667 4.573 5.789 1.00 0.45 C ATOM 0 H LEU A 92 -4.035 7.552 7.753 1.00 0.33 H new ATOM 0 HA LEU A 92 -1.650 6.027 7.707 1.00 0.35 H new ATOM 0 HB2 LEU A 92 -2.861 8.009 5.757 1.00 0.36 H new ATOM 0 HB3 LEU A 92 -1.456 7.024 5.403 1.00 0.36 H new ATOM 0 HG LEU A 92 -4.238 5.995 6.037 1.00 0.36 H new ATOM 0 HD11 LEU A 92 -4.224 5.257 3.683 1.00 0.37 H new ATOM 0 HD12 LEU A 92 -4.061 7.024 3.820 1.00 0.37 H new ATOM 0 HD13 LEU A 92 -2.634 6.024 3.458 1.00 0.37 H new ATOM 0 HD21 LEU A 92 -3.331 3.782 5.440 1.00 0.45 H new ATOM 0 HD22 LEU A 92 -1.709 4.497 5.274 1.00 0.45 H new ATOM 0 HD23 LEU A 92 -2.511 4.468 6.863 1.00 0.45 H new ATOM 1485 N LYS A 93 0.171 7.560 8.300 1.00 0.41 N ATOM 1486 CA LYS A 93 1.286 8.416 8.690 1.00 0.46 C ATOM 1487 C LYS A 93 1.926 9.071 7.472 1.00 0.44 C ATOM 1488 O LYS A 93 2.451 10.179 7.548 1.00 0.47 O ATOM 1489 CB LYS A 93 2.328 7.592 9.443 1.00 0.54 C ATOM 1490 CG LYS A 93 1.801 6.958 10.722 1.00 0.73 C ATOM 1491 CD LYS A 93 2.670 5.788 11.151 1.00 0.75 C ATOM 1492 CE LYS A 93 2.652 4.694 10.099 1.00 1.45 C ATOM 1493 NZ LYS A 93 3.554 3.566 10.433 1.00 1.99 N ATOM 0 H LYS A 93 0.334 6.566 8.459 1.00 0.41 H new ATOM 0 HA LYS A 93 0.904 9.204 9.339 1.00 0.46 H new ATOM 0 HB2 LYS A 93 2.701 6.806 8.786 1.00 0.54 H new ATOM 0 HB3 LYS A 93 3.176 8.232 9.688 1.00 0.54 H new ATOM 0 HG2 LYS A 93 1.772 7.704 11.516 1.00 0.73 H new ATOM 0 HG3 LYS A 93 0.777 6.617 10.568 1.00 0.73 H new ATOM 0 HD2 LYS A 93 3.693 6.128 11.312 1.00 0.75 H new ATOM 0 HD3 LYS A 93 2.312 5.392 12.101 1.00 0.75 H new ATOM 0 HE2 LYS A 93 1.634 4.320 9.987 1.00 1.45 H new ATOM 0 HE3 LYS A 93 2.944 5.115 9.137 1.00 1.45 H new ATOM 0 HZ1 LYS A 93 3.491 2.840 9.691 1.00 1.99 H new ATOM 0 HZ2 LYS A 93 4.533 3.911 10.497 1.00 1.99 H new ATOM 0 HZ3 LYS A 93 3.272 3.154 11.345 1.00 1.99 H new ATOM 1507 N PHE A 94 1.876 8.373 6.348 1.00 0.42 N ATOM 1508 CA PHE A 94 2.451 8.869 5.103 1.00 0.43 C ATOM 1509 C PHE A 94 1.629 8.416 3.896 1.00 0.42 C ATOM 1510 O PHE A 94 2.070 7.584 3.106 1.00 0.45 O ATOM 1511 CB PHE A 94 3.907 8.406 4.954 1.00 0.49 C ATOM 1512 CG PHE A 94 4.252 7.178 5.758 1.00 0.44 C ATOM 1513 CD1 PHE A 94 3.735 5.939 5.416 1.00 0.53 C ATOM 1514 CD2 PHE A 94 5.101 7.266 6.850 1.00 0.46 C ATOM 1515 CE1 PHE A 94 4.059 4.813 6.148 1.00 0.62 C ATOM 1516 CE2 PHE A 94 5.426 6.144 7.587 1.00 0.49 C ATOM 1517 CZ PHE A 94 4.905 4.915 7.235 1.00 0.56 C ATOM 0 H PHE A 94 1.440 7.454 6.271 1.00 0.42 H new ATOM 0 HA PHE A 94 2.432 9.958 5.141 1.00 0.43 H new ATOM 0 HB2 PHE A 94 4.106 8.205 3.901 1.00 0.49 H new ATOM 0 HB3 PHE A 94 4.567 9.220 5.254 1.00 0.49 H new ATOM 0 HD1 PHE A 94 3.072 5.852 4.568 1.00 0.53 H new ATOM 0 HD2 PHE A 94 5.514 8.224 7.128 1.00 0.46 H new ATOM 0 HE1 PHE A 94 3.651 3.853 5.870 1.00 0.62 H new ATOM 0 HE2 PHE A 94 6.087 6.228 8.437 1.00 0.49 H new ATOM 0 HZ PHE A 94 5.158 4.035 7.808 1.00 0.56 H new ATOM 1527 N PRO A 95 0.415 8.965 3.735 1.00 0.47 N ATOM 1528 CA PRO A 95 -0.468 8.614 2.616 1.00 0.53 C ATOM 1529 C PRO A 95 0.031 9.172 1.285 1.00 0.52 C ATOM 1530 O PRO A 95 -0.493 8.845 0.221 1.00 0.58 O ATOM 1531 CB PRO A 95 -1.797 9.258 3.008 1.00 0.63 C ATOM 1532 CG PRO A 95 -1.417 10.420 3.857 1.00 0.63 C ATOM 1533 CD PRO A 95 -0.189 9.991 4.612 1.00 0.54 C ATOM 0 HA PRO A 95 -0.529 7.537 2.461 1.00 0.53 H new ATOM 0 HB2 PRO A 95 -2.358 9.576 2.129 1.00 0.63 H new ATOM 0 HB3 PRO A 95 -2.430 8.559 3.554 1.00 0.63 H new ATOM 0 HG2 PRO A 95 -1.214 11.300 3.247 1.00 0.63 H new ATOM 0 HG3 PRO A 95 -2.224 10.685 4.540 1.00 0.63 H new ATOM 0 HD2 PRO A 95 0.491 10.826 4.780 1.00 0.54 H new ATOM 0 HD3 PRO A 95 -0.442 9.584 5.591 1.00 0.54 H new ATOM 1541 N GLN A 96 1.060 10.004 1.361 1.00 0.48 N ATOM 1542 CA GLN A 96 1.575 10.704 0.193 1.00 0.50 C ATOM 1543 C GLN A 96 2.644 9.888 -0.524 1.00 0.54 C ATOM 1544 O GLN A 96 3.254 10.363 -1.477 1.00 0.62 O ATOM 1545 CB GLN A 96 2.149 12.056 0.611 1.00 0.53 C ATOM 1546 CG GLN A 96 1.107 13.002 1.181 1.00 1.09 C ATOM 1547 CD GLN A 96 1.704 14.299 1.693 1.00 1.86 C ATOM 1548 OE1 GLN A 96 2.810 14.727 1.099 1.00 2.61 O flip ATOM 1549 NE2 GLN A 96 1.172 14.914 2.616 1.00 2.52 N flip ATOM 0 H GLN A 96 1.558 10.212 2.227 1.00 0.48 H new ATOM 0 HA GLN A 96 0.747 10.854 -0.500 1.00 0.50 H new ATOM 0 HB2 GLN A 96 2.930 11.897 1.354 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.621 12.525 -0.252 1.00 0.53 H new ATOM 0 HG2 GLN A 96 0.368 13.227 0.412 1.00 1.09 H new ATOM 0 HG3 GLN A 96 0.579 12.505 1.995 1.00 1.09 H new ATOM 0 HE21 GLN A 96 0.321 14.552 3.047 1.00 2.52 H new ATOM 0 HE22 GLN A 96 1.581 15.786 2.950 1.00 2.52 H new ATOM 1558 N LEU A 97 2.852 8.656 -0.084 1.00 0.54 N ATOM 1559 CA LEU A 97 3.876 7.802 -0.677 1.00 0.67 C ATOM 1560 C LEU A 97 3.311 7.018 -1.857 1.00 0.73 C ATOM 1561 O LEU A 97 3.684 5.865 -2.084 1.00 1.41 O ATOM 1562 CB LEU A 97 4.443 6.840 0.369 1.00 0.84 C ATOM 1563 CG LEU A 97 4.937 7.495 1.655 1.00 1.07 C ATOM 1564 CD1 LEU A 97 5.629 6.467 2.536 1.00 1.56 C ATOM 1565 CD2 LEU A 97 5.868 8.659 1.349 1.00 1.50 C ATOM 0 H LEU A 97 2.329 8.225 0.678 1.00 0.54 H new ATOM 0 HA LEU A 97 4.681 8.441 -1.040 1.00 0.67 H new ATOM 0 HB2 LEU A 97 3.673 6.111 0.624 1.00 0.84 H new ATOM 0 HB3 LEU A 97 5.269 6.288 -0.079 1.00 0.84 H new ATOM 0 HG LEU A 97 4.076 7.890 2.194 1.00 1.07 H new ATOM 0 HD11 LEU A 97 5.977 6.947 3.451 1.00 1.56 H new ATOM 0 HD12 LEU A 97 4.927 5.672 2.788 1.00 1.56 H new ATOM 0 HD13 LEU A 97 6.480 6.044 2.002 1.00 1.56 H new ATOM 0 HD21 LEU A 97 6.206 9.109 2.282 1.00 1.50 H new ATOM 0 HD22 LEU A 97 6.729 8.298 0.787 1.00 1.50 H new ATOM 0 HD23 LEU A 97 5.336 9.405 0.758 1.00 1.50 H new ATOM 1577 N HIS A 98 2.414 7.668 -2.597 1.00 0.47 N ATOM 1578 CA HIS A 98 1.750 7.075 -3.759 1.00 0.43 C ATOM 1579 C HIS A 98 0.928 5.842 -3.396 1.00 0.49 C ATOM 1580 O HIS A 98 0.918 5.382 -2.252 1.00 0.89 O ATOM 1581 CB HIS A 98 2.761 6.736 -4.858 1.00 0.49 C ATOM 1582 CG HIS A 98 3.145 7.922 -5.687 1.00 0.44 C ATOM 1583 ND1 HIS A 98 4.159 8.768 -5.311 1.00 0.45 N ATOM 1584 CD2 HIS A 98 2.598 8.372 -6.841 1.00 0.56 C ATOM 1585 CE1 HIS A 98 4.206 9.710 -6.236 1.00 0.45 C ATOM 1586 NE2 HIS A 98 3.278 9.511 -7.185 1.00 0.51 N ATOM 0 H HIS A 98 2.125 8.627 -2.407 1.00 0.47 H new ATOM 0 HA HIS A 98 1.057 7.827 -4.137 1.00 0.43 H new ATOM 0 HB2 HIS A 98 3.656 6.313 -4.402 1.00 0.49 H new ATOM 0 HB3 HIS A 98 2.340 5.968 -5.506 1.00 0.49 H new ATOM 0 HD2 HIS A 98 1.782 7.920 -7.386 1.00 0.56 H new ATOM 0 HE1 HIS A 98 4.903 10.535 -6.229 1.00 0.45 H new ATOM 0 HE2 HIS A 98 3.111 10.095 -8.004 1.00 0.51 H new ATOM 1594 N CYS A 99 0.210 5.334 -4.379 1.00 0.34 N ATOM 1595 CA CYS A 99 -0.594 4.144 -4.199 1.00 0.36 C ATOM 1596 C CYS A 99 0.040 2.975 -4.925 1.00 0.34 C ATOM 1597 O CYS A 99 0.410 3.087 -6.098 1.00 0.43 O ATOM 1598 CB CYS A 99 -2.004 4.366 -4.728 1.00 0.44 C ATOM 1599 SG CYS A 99 -2.896 5.713 -3.924 1.00 0.55 S ATOM 0 H CYS A 99 0.168 5.732 -5.317 1.00 0.34 H new ATOM 0 HA CYS A 99 -0.647 3.924 -3.133 1.00 0.36 H new ATOM 0 HB2 CYS A 99 -1.950 4.569 -5.798 1.00 0.44 H new ATOM 0 HB3 CYS A 99 -2.574 3.445 -4.607 1.00 0.44 H new ATOM 0 HG CYS A 99 -2.735 6.808 -4.606 1.00 0.55 H new ATOM 1605 N LEU A 100 0.159 1.858 -4.227 1.00 0.25 N ATOM 1606 CA LEU A 100 0.743 0.662 -4.794 1.00 0.24 C ATOM 1607 C LEU A 100 -0.237 0.037 -5.771 1.00 0.23 C ATOM 1608 O LEU A 100 -1.396 -0.188 -5.427 1.00 0.31 O ATOM 1609 CB LEU A 100 1.099 -0.326 -3.680 1.00 0.30 C ATOM 1610 CG LEU A 100 1.835 -1.584 -4.134 1.00 0.31 C ATOM 1611 CD1 LEU A 100 3.135 -1.215 -4.829 1.00 0.32 C ATOM 1612 CD2 LEU A 100 2.111 -2.486 -2.948 1.00 0.47 C ATOM 0 H LEU A 100 -0.145 1.758 -3.259 1.00 0.25 H new ATOM 0 HA LEU A 100 1.658 0.920 -5.327 1.00 0.24 H new ATOM 0 HB2 LEU A 100 1.715 0.189 -2.943 1.00 0.30 H new ATOM 0 HB3 LEU A 100 0.181 -0.625 -3.175 1.00 0.30 H new ATOM 0 HG LEU A 100 1.203 -2.120 -4.842 1.00 0.31 H new ATOM 0 HD11 LEU A 100 3.648 -2.123 -5.147 1.00 0.32 H new ATOM 0 HD12 LEU A 100 2.919 -0.596 -5.700 1.00 0.32 H new ATOM 0 HD13 LEU A 100 3.772 -0.661 -4.139 1.00 0.32 H new ATOM 0 HD21 LEU A 100 2.636 -3.380 -3.285 1.00 0.47 H new ATOM 0 HD22 LEU A 100 2.727 -1.955 -2.223 1.00 0.47 H new ATOM 0 HD23 LEU A 100 1.168 -2.773 -2.482 1.00 0.47 H new ATOM 1624 N ASN A 101 0.221 -0.219 -6.988 1.00 0.21 N ATOM 1625 CA ASN A 101 -0.638 -0.796 -8.011 1.00 0.22 C ATOM 1626 C ASN A 101 -0.489 -2.307 -8.019 1.00 0.22 C ATOM 1627 O ASN A 101 0.478 -2.856 -8.573 1.00 0.22 O ATOM 1628 CB ASN A 101 -0.322 -0.224 -9.394 1.00 0.26 C ATOM 1629 CG ASN A 101 -1.272 -0.740 -10.462 1.00 0.30 C ATOM 1630 OD1 ASN A 101 -1.003 -1.744 -11.121 1.00 1.04 O ATOM 1631 ND2 ASN A 101 -2.392 -0.055 -10.640 1.00 1.06 N ATOM 0 H ASN A 101 1.178 -0.037 -7.290 1.00 0.21 H new ATOM 0 HA ASN A 101 -1.670 -0.537 -7.773 1.00 0.22 H new ATOM 0 HB2 ASN A 101 -0.378 0.864 -9.356 1.00 0.26 H new ATOM 0 HB3 ASN A 101 0.702 -0.482 -9.666 1.00 0.26 H new ATOM 0 HD21 ASN A 101 -3.067 -0.355 -11.343 1.00 1.06 H new ATOM 0 HD22 ASN A 101 -2.579 0.772 -10.074 1.00 1.06 H new ATOM 1638 N VAL A 102 -1.438 -2.962 -7.370 1.00 0.25 N ATOM 1639 CA VAL A 102 -1.459 -4.410 -7.266 1.00 0.32 C ATOM 1640 C VAL A 102 -2.827 -4.948 -7.661 1.00 0.38 C ATOM 1641 O VAL A 102 -3.692 -4.198 -8.120 1.00 0.37 O ATOM 1642 CB VAL A 102 -1.123 -4.877 -5.832 1.00 0.35 C ATOM 1643 CG1 VAL A 102 0.335 -4.617 -5.512 1.00 0.36 C ATOM 1644 CG2 VAL A 102 -2.011 -4.182 -4.814 1.00 0.32 C ATOM 0 H VAL A 102 -2.217 -2.502 -6.899 1.00 0.25 H new ATOM 0 HA VAL A 102 -0.700 -4.799 -7.945 1.00 0.32 H new ATOM 0 HB VAL A 102 -1.308 -5.950 -5.778 1.00 0.35 H new ATOM 0 HG11 VAL A 102 0.550 -4.953 -4.498 1.00 0.36 H new ATOM 0 HG12 VAL A 102 0.965 -5.161 -6.216 1.00 0.36 H new ATOM 0 HG13 VAL A 102 0.540 -3.549 -5.592 1.00 0.36 H new ATOM 0 HG21 VAL A 102 -1.755 -4.527 -3.812 1.00 0.32 H new ATOM 0 HG22 VAL A 102 -1.861 -3.104 -4.876 1.00 0.32 H new ATOM 0 HG23 VAL A 102 -3.055 -4.415 -5.023 1.00 0.32 H new ATOM 1654 N GLY A 103 -3.020 -6.245 -7.484 1.00 0.50 N ATOM 1655 CA GLY A 103 -4.291 -6.853 -7.808 1.00 0.60 C ATOM 1656 C GLY A 103 -4.240 -7.562 -9.141 1.00 0.69 C ATOM 1657 O GLY A 103 -3.669 -8.647 -9.257 1.00 0.82 O ATOM 0 H GLY A 103 -2.317 -6.889 -7.121 1.00 0.50 H new ATOM 0 HA2 GLY A 103 -4.566 -7.562 -7.027 1.00 0.60 H new ATOM 0 HA3 GLY A 103 -5.067 -6.088 -7.831 1.00 0.60 H new ATOM 1661 N SER A 104 -4.844 -6.953 -10.148 1.00 0.69 N ATOM 1662 CA SER A 104 -4.809 -7.474 -11.504 1.00 0.79 C ATOM 1663 C SER A 104 -4.960 -6.329 -12.504 1.00 0.82 C ATOM 1664 O SER A 104 -5.083 -5.169 -12.102 1.00 0.75 O ATOM 1665 CB SER A 104 -5.922 -8.507 -11.709 1.00 0.95 C ATOM 1666 OG SER A 104 -5.804 -9.573 -10.781 1.00 1.63 O ATOM 0 H SER A 104 -5.371 -6.085 -10.049 1.00 0.69 H new ATOM 0 HA SER A 104 -3.849 -7.964 -11.668 1.00 0.79 H new ATOM 0 HB2 SER A 104 -6.894 -8.027 -11.595 1.00 0.95 H new ATOM 0 HB3 SER A 104 -5.877 -8.898 -12.725 1.00 0.95 H new ATOM 0 HG SER A 104 -6.526 -10.218 -10.931 1.00 1.63 H new ATOM 1672 N SER A 105 -4.947 -6.639 -13.793 1.00 0.99 N ATOM 1673 CA SER A 105 -5.142 -5.617 -14.810 1.00 1.12 C ATOM 1674 C SER A 105 -6.573 -5.084 -14.772 1.00 1.19 C ATOM 1675 O SER A 105 -6.796 -3.878 -14.635 1.00 1.31 O ATOM 1676 CB SER A 105 -4.828 -6.187 -16.193 1.00 1.36 C ATOM 1677 OG SER A 105 -3.530 -6.755 -16.227 1.00 1.63 O ATOM 0 H SER A 105 -4.805 -7.581 -14.156 1.00 0.99 H new ATOM 0 HA SER A 105 -4.462 -4.790 -14.604 1.00 1.12 H new ATOM 0 HB2 SER A 105 -5.567 -6.945 -16.454 1.00 1.36 H new ATOM 0 HB3 SER A 105 -4.903 -5.398 -16.941 1.00 1.36 H new ATOM 0 HG SER A 105 -3.353 -7.114 -17.122 1.00 1.63 H new ATOM 1683 N ILE A 106 -7.544 -5.991 -14.865 1.00 1.22 N ATOM 1684 CA ILE A 106 -8.953 -5.608 -14.853 1.00 1.35 C ATOM 1685 C ILE A 106 -9.346 -5.015 -13.505 1.00 1.21 C ATOM 1686 O ILE A 106 -10.192 -4.122 -13.429 1.00 1.38 O ATOM 1687 CB ILE A 106 -9.883 -6.799 -15.179 1.00 1.52 C ATOM 1688 CG1 ILE A 106 -9.671 -7.949 -14.185 1.00 1.94 C ATOM 1689 CG2 ILE A 106 -9.652 -7.274 -16.608 1.00 1.92 C ATOM 1690 CD1 ILE A 106 -10.629 -9.107 -14.373 1.00 2.18 C ATOM 0 H ILE A 106 -7.380 -6.994 -14.949 1.00 1.22 H new ATOM 0 HA ILE A 106 -9.076 -4.855 -15.631 1.00 1.35 H new ATOM 0 HB ILE A 106 -10.916 -6.462 -15.087 1.00 1.52 H new ATOM 0 HG12 ILE A 106 -8.649 -8.316 -14.282 1.00 1.94 H new ATOM 0 HG13 ILE A 106 -9.777 -7.564 -13.171 1.00 1.94 H new ATOM 0 HG21 ILE A 106 -10.313 -8.113 -16.824 1.00 1.92 H new ATOM 0 HG22 ILE A 106 -9.862 -6.459 -17.301 1.00 1.92 H new ATOM 0 HG23 ILE A 106 -8.615 -7.590 -16.723 1.00 1.92 H new ATOM 0 HD11 ILE A 106 -10.416 -9.879 -13.634 1.00 2.18 H new ATOM 0 HD12 ILE A 106 -11.653 -8.756 -14.246 1.00 2.18 H new ATOM 0 HD13 ILE A 106 -10.508 -9.520 -15.374 1.00 2.18 H new ATOM 1702 N LYS A 107 -8.714 -5.492 -12.446 1.00 0.98 N ATOM 1703 CA LYS A 107 -9.000 -5.004 -11.110 1.00 0.86 C ATOM 1704 C LYS A 107 -7.724 -4.498 -10.450 1.00 0.69 C ATOM 1705 O LYS A 107 -7.051 -5.232 -9.723 1.00 0.64 O ATOM 1706 CB LYS A 107 -9.642 -6.115 -10.270 1.00 0.93 C ATOM 1707 CG LYS A 107 -10.148 -5.654 -8.910 1.00 0.89 C ATOM 1708 CD LYS A 107 -10.785 -6.798 -8.136 1.00 1.01 C ATOM 1709 CE LYS A 107 -11.350 -6.335 -6.798 1.00 1.00 C ATOM 1710 NZ LYS A 107 -12.530 -5.441 -6.963 1.00 1.41 N ATOM 0 H LYS A 107 -7.999 -6.218 -12.487 1.00 0.98 H new ATOM 0 HA LYS A 107 -9.703 -4.173 -11.179 1.00 0.86 H new ATOM 0 HB2 LYS A 107 -10.474 -6.543 -10.829 1.00 0.93 H new ATOM 0 HB3 LYS A 107 -8.913 -6.912 -10.123 1.00 0.93 H new ATOM 0 HG2 LYS A 107 -9.321 -5.240 -8.334 1.00 0.89 H new ATOM 0 HG3 LYS A 107 -10.876 -4.854 -9.043 1.00 0.89 H new ATOM 0 HD2 LYS A 107 -11.582 -7.240 -8.733 1.00 1.01 H new ATOM 0 HD3 LYS A 107 -10.043 -7.579 -7.966 1.00 1.01 H new ATOM 0 HE2 LYS A 107 -11.635 -7.205 -6.206 1.00 1.00 H new ATOM 0 HE3 LYS A 107 -10.574 -5.810 -6.240 1.00 1.00 H new ATOM 0 HZ1 LYS A 107 -12.962 -5.261 -6.034 1.00 1.41 H new ATOM 0 HZ2 LYS A 107 -12.227 -4.540 -7.384 1.00 1.41 H new ATOM 0 HZ3 LYS A 107 -13.227 -5.897 -7.586 1.00 1.41 H new ATOM 1724 N SER A 108 -7.387 -3.248 -10.722 1.00 0.64 N ATOM 1725 CA SER A 108 -6.255 -2.612 -10.072 1.00 0.52 C ATOM 1726 C SER A 108 -6.697 -2.022 -8.748 1.00 0.44 C ATOM 1727 O SER A 108 -7.707 -1.316 -8.675 1.00 0.46 O ATOM 1728 CB SER A 108 -5.655 -1.522 -10.967 1.00 0.55 C ATOM 1729 OG SER A 108 -5.179 -2.081 -12.184 1.00 1.25 O ATOM 0 H SER A 108 -7.881 -2.655 -11.388 1.00 0.64 H new ATOM 0 HA SER A 108 -5.485 -3.362 -9.893 1.00 0.52 H new ATOM 0 HB2 SER A 108 -6.408 -0.763 -11.179 1.00 0.55 H new ATOM 0 HB3 SER A 108 -4.838 -1.024 -10.445 1.00 0.55 H new ATOM 0 HG SER A 108 -5.194 -3.059 -12.123 1.00 1.25 H new ATOM 1735 N ILE A 109 -5.957 -2.330 -7.704 1.00 0.37 N ATOM 1736 CA ILE A 109 -6.251 -1.800 -6.391 1.00 0.33 C ATOM 1737 C ILE A 109 -5.113 -0.925 -5.916 1.00 0.30 C ATOM 1738 O ILE A 109 -3.941 -1.257 -6.098 1.00 0.28 O ATOM 1739 CB ILE A 109 -6.507 -2.911 -5.351 1.00 0.34 C ATOM 1740 CG1 ILE A 109 -5.439 -4.000 -5.455 1.00 0.39 C ATOM 1741 CG2 ILE A 109 -7.899 -3.493 -5.524 1.00 0.37 C ATOM 1742 CD1 ILE A 109 -5.468 -4.999 -4.319 1.00 0.44 C ATOM 0 H ILE A 109 -5.145 -2.947 -7.740 1.00 0.37 H new ATOM 0 HA ILE A 109 -7.165 -1.213 -6.484 1.00 0.33 H new ATOM 0 HB ILE A 109 -6.446 -2.474 -4.354 1.00 0.34 H new ATOM 0 HG12 ILE A 109 -5.568 -4.533 -6.397 1.00 0.39 H new ATOM 0 HG13 ILE A 109 -4.456 -3.529 -5.487 1.00 0.39 H new ATOM 0 HG21 ILE A 109 -8.061 -4.275 -4.782 1.00 0.37 H new ATOM 0 HG22 ILE A 109 -8.641 -2.706 -5.391 1.00 0.37 H new ATOM 0 HG23 ILE A 109 -7.995 -3.916 -6.524 1.00 0.37 H new ATOM 0 HD11 ILE A 109 -4.681 -5.739 -4.465 1.00 0.44 H new ATOM 0 HD12 ILE A 109 -5.308 -4.480 -3.374 1.00 0.44 H new ATOM 0 HD13 ILE A 109 -6.436 -5.499 -4.299 1.00 0.44 H new ATOM 1754 N LEU A 110 -5.471 0.201 -5.338 1.00 0.30 N ATOM 1755 CA LEU A 110 -4.497 1.138 -4.821 1.00 0.29 C ATOM 1756 C LEU A 110 -4.373 0.954 -3.318 1.00 0.25 C ATOM 1757 O LEU A 110 -5.349 1.099 -2.581 1.00 0.26 O ATOM 1758 CB LEU A 110 -4.920 2.577 -5.155 1.00 0.35 C ATOM 1759 CG LEU A 110 -4.594 3.068 -6.577 1.00 0.45 C ATOM 1760 CD1 LEU A 110 -5.275 2.216 -7.638 1.00 0.96 C ATOM 1761 CD2 LEU A 110 -5.006 4.522 -6.736 1.00 1.32 C ATOM 0 H LEU A 110 -6.441 0.492 -5.213 1.00 0.30 H new ATOM 0 HA LEU A 110 -3.528 0.950 -5.284 1.00 0.29 H new ATOM 0 HB2 LEU A 110 -5.996 2.662 -5.001 1.00 0.35 H new ATOM 0 HB3 LEU A 110 -4.442 3.249 -4.442 1.00 0.35 H new ATOM 0 HG LEU A 110 -3.517 2.978 -6.718 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -5.020 2.595 -8.628 1.00 0.96 H new ATOM 0 HD12 LEU A 110 -4.938 1.183 -7.547 1.00 0.96 H new ATOM 0 HD13 LEU A 110 -6.355 2.259 -7.501 1.00 0.96 H new ATOM 0 HD21 LEU A 110 -4.771 4.859 -7.746 1.00 1.32 H new ATOM 0 HD22 LEU A 110 -6.078 4.618 -6.562 1.00 1.32 H new ATOM 0 HD23 LEU A 110 -4.465 5.134 -6.014 1.00 1.32 H new ATOM 1773 N LEU A 111 -3.172 0.633 -2.869 1.00 0.23 N ATOM 1774 CA LEU A 111 -2.946 0.324 -1.467 1.00 0.23 C ATOM 1775 C LEU A 111 -1.747 1.091 -0.940 1.00 0.24 C ATOM 1776 O LEU A 111 -0.781 1.317 -1.666 1.00 0.22 O ATOM 1777 CB LEU A 111 -2.702 -1.183 -1.290 1.00 0.22 C ATOM 1778 CG LEU A 111 -3.860 -2.096 -1.700 1.00 0.23 C ATOM 1779 CD1 LEU A 111 -3.448 -3.558 -1.604 1.00 0.23 C ATOM 1780 CD2 LEU A 111 -5.080 -1.833 -0.828 1.00 0.28 C ATOM 0 H LEU A 111 -2.338 0.579 -3.454 1.00 0.23 H new ATOM 0 HA LEU A 111 -3.833 0.618 -0.905 1.00 0.23 H new ATOM 0 HB2 LEU A 111 -1.822 -1.460 -1.870 1.00 0.22 H new ATOM 0 HB3 LEU A 111 -2.467 -1.374 -0.243 1.00 0.22 H new ATOM 0 HG LEU A 111 -4.119 -1.877 -2.736 1.00 0.23 H new ATOM 0 HD11 LEU A 111 -4.284 -4.192 -1.899 1.00 0.23 H new ATOM 0 HD12 LEU A 111 -2.602 -3.742 -2.266 1.00 0.23 H new ATOM 0 HD13 LEU A 111 -3.163 -3.789 -0.578 1.00 0.23 H new ATOM 0 HD21 LEU A 111 -5.894 -2.491 -1.133 1.00 0.28 H new ATOM 0 HD22 LEU A 111 -4.830 -2.025 0.215 1.00 0.28 H new ATOM 0 HD23 LEU A 111 -5.391 -0.794 -0.941 1.00 0.28 H new ATOM 1792 N PRO A 112 -1.801 1.532 0.323 1.00 0.29 N ATOM 1793 CA PRO A 112 -0.633 2.086 0.995 1.00 0.32 C ATOM 1794 C PRO A 112 0.457 1.032 1.113 1.00 0.28 C ATOM 1795 O PRO A 112 0.272 0.012 1.783 1.00 0.29 O ATOM 1796 CB PRO A 112 -1.150 2.491 2.379 1.00 0.41 C ATOM 1797 CG PRO A 112 -2.421 1.731 2.562 1.00 0.36 C ATOM 1798 CD PRO A 112 -2.993 1.530 1.186 1.00 0.36 C ATOM 0 HA PRO A 112 -0.195 2.926 0.456 1.00 0.32 H new ATOM 0 HB2 PRO A 112 -0.428 2.243 3.157 1.00 0.41 H new ATOM 0 HB3 PRO A 112 -1.323 3.566 2.435 1.00 0.41 H new ATOM 0 HG2 PRO A 112 -2.235 0.774 3.050 1.00 0.36 H new ATOM 0 HG3 PRO A 112 -3.116 2.282 3.196 1.00 0.36 H new ATOM 0 HD2 PRO A 112 -3.543 0.592 1.111 1.00 0.36 H new ATOM 0 HD3 PRO A 112 -3.686 2.327 0.917 1.00 0.36 H new ATOM 1806 N ILE A 113 1.582 1.276 0.445 1.00 0.27 N ATOM 1807 CA ILE A 113 2.699 0.333 0.420 1.00 0.28 C ATOM 1808 C ILE A 113 3.164 -0.020 1.842 1.00 0.26 C ATOM 1809 O ILE A 113 3.778 -1.058 2.065 1.00 0.29 O ATOM 1810 CB ILE A 113 3.875 0.865 -0.453 1.00 0.35 C ATOM 1811 CG1 ILE A 113 5.044 -0.120 -0.453 1.00 0.47 C ATOM 1812 CG2 ILE A 113 4.336 2.245 0.012 1.00 0.36 C ATOM 1813 CD1 ILE A 113 6.156 0.259 -1.405 1.00 0.69 C ATOM 0 H ILE A 113 1.745 2.128 -0.092 1.00 0.27 H new ATOM 0 HA ILE A 113 2.343 -0.587 -0.044 1.00 0.28 H new ATOM 0 HB ILE A 113 3.507 0.962 -1.474 1.00 0.35 H new ATOM 0 HG12 ILE A 113 5.449 -0.190 0.556 1.00 0.47 H new ATOM 0 HG13 ILE A 113 4.673 -1.111 -0.717 1.00 0.47 H new ATOM 0 HG21 ILE A 113 5.157 2.586 -0.619 1.00 0.36 H new ATOM 0 HG22 ILE A 113 3.507 2.949 -0.060 1.00 0.36 H new ATOM 0 HG23 ILE A 113 4.673 2.186 1.047 1.00 0.36 H new ATOM 0 HD11 ILE A 113 6.951 -0.485 -1.351 1.00 0.69 H new ATOM 0 HD12 ILE A 113 5.766 0.300 -2.422 1.00 0.69 H new ATOM 0 HD13 ILE A 113 6.554 1.236 -1.129 1.00 0.69 H new ATOM 1825 N GLU A 114 2.843 0.847 2.801 1.00 0.27 N ATOM 1826 CA GLU A 114 3.131 0.594 4.211 1.00 0.34 C ATOM 1827 C GLU A 114 2.523 -0.732 4.698 1.00 0.33 C ATOM 1828 O GLU A 114 3.146 -1.459 5.473 1.00 0.42 O ATOM 1829 CB GLU A 114 2.601 1.759 5.063 1.00 0.38 C ATOM 1830 CG GLU A 114 1.928 1.318 6.356 1.00 0.45 C ATOM 1831 CD GLU A 114 2.064 2.322 7.477 1.00 1.16 C ATOM 1832 OE1 GLU A 114 3.115 2.308 8.156 1.00 1.74 O ATOM 1833 OE2 GLU A 114 1.121 3.109 7.699 1.00 1.77 O ATOM 0 H GLU A 114 2.379 1.738 2.624 1.00 0.27 H new ATOM 0 HA GLU A 114 4.213 0.515 4.320 1.00 0.34 H new ATOM 0 HB2 GLU A 114 3.428 2.426 5.304 1.00 0.38 H new ATOM 0 HB3 GLU A 114 1.889 2.335 4.472 1.00 0.38 H new ATOM 0 HG2 GLU A 114 0.870 1.141 6.164 1.00 0.45 H new ATOM 0 HG3 GLU A 114 2.358 0.368 6.675 1.00 0.45 H new ATOM 1840 N LEU A 115 1.321 -1.053 4.228 1.00 0.27 N ATOM 1841 CA LEU A 115 0.617 -2.252 4.686 1.00 0.31 C ATOM 1842 C LEU A 115 0.977 -3.441 3.823 1.00 0.26 C ATOM 1843 O LEU A 115 0.505 -4.557 4.042 1.00 0.30 O ATOM 1844 CB LEU A 115 -0.897 -2.031 4.656 1.00 0.44 C ATOM 1845 CG LEU A 115 -1.423 -0.887 5.527 1.00 0.50 C ATOM 1846 CD1 LEU A 115 -2.889 -0.643 5.235 1.00 0.95 C ATOM 1847 CD2 LEU A 115 -1.232 -1.190 7.006 1.00 0.80 C ATOM 0 H LEU A 115 0.814 -0.504 3.534 1.00 0.27 H new ATOM 0 HA LEU A 115 0.924 -2.454 5.712 1.00 0.31 H new ATOM 0 HB2 LEU A 115 -1.197 -1.844 3.625 1.00 0.44 H new ATOM 0 HB3 LEU A 115 -1.386 -2.954 4.968 1.00 0.44 H new ATOM 0 HG LEU A 115 -0.853 0.010 5.287 1.00 0.50 H new ATOM 0 HD11 LEU A 115 -3.254 0.173 5.860 1.00 0.95 H new ATOM 0 HD12 LEU A 115 -3.012 -0.378 4.185 1.00 0.95 H new ATOM 0 HD13 LEU A 115 -3.458 -1.547 5.450 1.00 0.95 H new ATOM 0 HD21 LEU A 115 -1.615 -0.360 7.600 1.00 0.80 H new ATOM 0 HD22 LEU A 115 -1.773 -2.100 7.264 1.00 0.80 H new ATOM 0 HD23 LEU A 115 -0.171 -1.327 7.215 1.00 0.80 H new ATOM 1859 N CYS A 116 1.810 -3.198 2.838 1.00 0.23 N ATOM 1860 CA CYS A 116 2.298 -4.256 1.990 1.00 0.24 C ATOM 1861 C CYS A 116 3.666 -4.686 2.483 1.00 0.24 C ATOM 1862 O CYS A 116 4.546 -3.860 2.711 1.00 0.37 O ATOM 1863 CB CYS A 116 2.351 -3.778 0.546 1.00 0.25 C ATOM 1864 SG CYS A 116 0.802 -3.024 -0.005 1.00 0.28 S ATOM 0 H CYS A 116 2.165 -2.270 2.605 1.00 0.23 H new ATOM 0 HA CYS A 116 1.627 -5.114 2.029 1.00 0.24 H new ATOM 0 HB2 CYS A 116 3.159 -3.055 0.438 1.00 0.25 H new ATOM 0 HB3 CYS A 116 2.589 -4.622 -0.102 1.00 0.25 H new ATOM 0 HG CYS A 116 0.613 -1.906 0.631 1.00 0.28 H new ATOM 1870 N SER A 117 3.830 -5.967 2.695 1.00 0.22 N ATOM 1871 CA SER A 117 5.055 -6.477 3.258 1.00 0.25 C ATOM 1872 C SER A 117 5.693 -7.483 2.304 1.00 0.27 C ATOM 1873 O SER A 117 5.033 -8.395 1.806 1.00 0.35 O ATOM 1874 CB SER A 117 4.743 -7.075 4.629 1.00 0.27 C ATOM 1875 OG SER A 117 5.836 -7.794 5.160 1.00 0.34 O ATOM 0 H SER A 117 3.129 -6.678 2.486 1.00 0.22 H new ATOM 0 HA SER A 117 5.784 -5.678 3.394 1.00 0.25 H new ATOM 0 HB2 SER A 117 4.467 -6.276 5.317 1.00 0.27 H new ATOM 0 HB3 SER A 117 3.881 -7.737 4.547 1.00 0.27 H new ATOM 0 HG SER A 117 5.643 -8.045 6.087 1.00 0.34 H new ATOM 1881 N ILE A 118 6.978 -7.292 2.047 1.00 0.23 N ATOM 1882 CA ILE A 118 7.700 -8.064 1.047 1.00 0.22 C ATOM 1883 C ILE A 118 7.939 -9.492 1.514 1.00 0.24 C ATOM 1884 O ILE A 118 8.536 -9.725 2.562 1.00 0.28 O ATOM 1885 CB ILE A 118 9.050 -7.392 0.705 1.00 0.24 C ATOM 1886 CG1 ILE A 118 8.807 -6.118 -0.104 1.00 0.41 C ATOM 1887 CG2 ILE A 118 9.974 -8.336 -0.052 1.00 0.25 C ATOM 1888 CD1 ILE A 118 10.072 -5.487 -0.641 1.00 0.50 C ATOM 0 H ILE A 118 7.550 -6.597 2.526 1.00 0.23 H new ATOM 0 HA ILE A 118 7.081 -8.095 0.151 1.00 0.22 H new ATOM 0 HB ILE A 118 9.544 -7.135 1.642 1.00 0.24 H new ATOM 0 HG12 ILE A 118 8.145 -6.349 -0.938 1.00 0.41 H new ATOM 0 HG13 ILE A 118 8.288 -5.393 0.524 1.00 0.41 H new ATOM 0 HG21 ILE A 118 10.912 -7.827 -0.274 1.00 0.25 H new ATOM 0 HG22 ILE A 118 10.175 -9.216 0.559 1.00 0.25 H new ATOM 0 HG23 ILE A 118 9.498 -8.642 -0.984 1.00 0.25 H new ATOM 0 HD11 ILE A 118 9.820 -4.588 -1.204 1.00 0.50 H new ATOM 0 HD12 ILE A 118 10.728 -5.223 0.189 1.00 0.50 H new ATOM 0 HD13 ILE A 118 10.582 -6.194 -1.296 1.00 0.50 H new ATOM 1900 N GLU A 119 7.462 -10.439 0.719 1.00 0.35 N ATOM 1901 CA GLU A 119 7.638 -11.852 1.006 1.00 0.49 C ATOM 1902 C GLU A 119 9.134 -12.174 1.062 1.00 0.52 C ATOM 1903 O GLU A 119 9.897 -11.759 0.191 1.00 0.63 O ATOM 1904 CB GLU A 119 6.912 -12.658 -0.079 1.00 0.72 C ATOM 1905 CG GLU A 119 6.739 -14.133 0.228 1.00 1.01 C ATOM 1906 CD GLU A 119 7.965 -14.944 -0.108 1.00 1.60 C ATOM 1907 OE1 GLU A 119 8.334 -15.007 -1.302 1.00 2.30 O ATOM 1908 OE2 GLU A 119 8.573 -15.514 0.819 1.00 1.77 O ATOM 0 H GLU A 119 6.944 -10.249 -0.139 1.00 0.35 H new ATOM 0 HA GLU A 119 7.212 -12.116 1.974 1.00 0.49 H new ATOM 0 HB2 GLU A 119 5.928 -12.218 -0.241 1.00 0.72 H new ATOM 0 HB3 GLU A 119 7.463 -12.559 -1.014 1.00 0.72 H new ATOM 0 HG2 GLU A 119 6.506 -14.255 1.286 1.00 1.01 H new ATOM 0 HG3 GLU A 119 5.888 -14.519 -0.332 1.00 1.01 H new ATOM 1915 N GLU A 120 9.539 -12.907 2.100 1.00 0.67 N ATOM 1916 CA GLU A 120 10.955 -13.088 2.430 1.00 0.86 C ATOM 1917 C GLU A 120 11.744 -13.743 1.296 1.00 1.01 C ATOM 1918 O GLU A 120 12.948 -13.528 1.172 1.00 1.25 O ATOM 1919 CB GLU A 120 11.106 -13.909 3.716 1.00 1.16 C ATOM 1920 CG GLU A 120 10.484 -15.295 3.644 1.00 1.77 C ATOM 1921 CD GLU A 120 10.689 -16.098 4.912 1.00 2.40 C ATOM 1922 OE1 GLU A 120 11.797 -16.643 5.102 1.00 2.91 O ATOM 1923 OE2 GLU A 120 9.740 -16.205 5.721 1.00 2.64 O ATOM 0 H GLU A 120 8.900 -13.389 2.732 1.00 0.67 H new ATOM 0 HA GLU A 120 11.372 -12.092 2.582 1.00 0.86 H new ATOM 0 HB2 GLU A 120 12.166 -14.010 3.948 1.00 1.16 H new ATOM 0 HB3 GLU A 120 10.650 -13.360 4.540 1.00 1.16 H new ATOM 0 HG2 GLU A 120 9.416 -15.199 3.449 1.00 1.77 H new ATOM 0 HG3 GLU A 120 10.914 -15.838 2.802 1.00 1.77 H new ATOM 1930 N GLY A 121 11.069 -14.534 0.477 1.00 1.21 N ATOM 1931 CA GLY A 121 11.726 -15.183 -0.639 1.00 1.69 C ATOM 1932 C GLY A 121 11.930 -14.254 -1.823 1.00 1.92 C ATOM 1933 O GLY A 121 12.739 -14.536 -2.708 1.00 2.32 O ATOM 0 H GLY A 121 10.074 -14.739 0.565 1.00 1.21 H new ATOM 0 HA2 GLY A 121 12.693 -15.566 -0.313 1.00 1.69 H new ATOM 0 HA3 GLY A 121 11.133 -16.041 -0.955 1.00 1.69 H new ATOM 1937 N GLN A 122 11.211 -13.137 -1.836 1.00 1.94 N ATOM 1938 CA GLN A 122 11.285 -12.187 -2.945 1.00 2.41 C ATOM 1939 C GLN A 122 12.595 -11.418 -2.926 1.00 2.41 C ATOM 1940 O GLN A 122 13.099 -10.999 -3.966 1.00 2.96 O ATOM 1941 CB GLN A 122 10.112 -11.202 -2.900 1.00 2.81 C ATOM 1942 CG GLN A 122 8.752 -11.854 -3.072 1.00 3.49 C ATOM 1943 CD GLN A 122 8.610 -12.579 -4.395 1.00 4.14 C ATOM 1944 OE1 GLN A 122 8.211 -11.987 -5.400 1.00 4.71 O ATOM 1945 NE2 GLN A 122 8.916 -13.866 -4.401 1.00 4.49 N ATOM 0 H GLN A 122 10.569 -12.865 -1.091 1.00 1.94 H new ATOM 0 HA GLN A 122 11.232 -12.763 -3.869 1.00 2.41 H new ATOM 0 HB2 GLN A 122 10.132 -10.672 -1.948 1.00 2.81 H new ATOM 0 HB3 GLN A 122 10.247 -10.456 -3.683 1.00 2.81 H new ATOM 0 HG2 GLN A 122 8.587 -12.559 -2.257 1.00 3.49 H new ATOM 0 HG3 GLN A 122 7.977 -11.092 -2.996 1.00 3.49 H new ATOM 0 HE21 GLN A 122 9.243 -14.317 -3.546 1.00 4.49 H new ATOM 0 HE22 GLN A 122 8.825 -14.408 -5.260 1.00 4.49 H new ATOM 1954 N ALA A 123 13.144 -11.247 -1.741 1.00 2.13 N ATOM 1955 CA ALA A 123 14.372 -10.487 -1.574 1.00 2.55 C ATOM 1956 C ALA A 123 15.373 -11.253 -0.719 1.00 2.98 C ATOM 1957 O ALA A 123 15.432 -11.009 0.502 1.00 3.61 O ATOM 1958 CB ALA A 123 14.068 -9.127 -0.962 1.00 3.05 C ATOM 1959 OXT ALA A 123 16.092 -12.109 -1.276 1.00 3.25 O ATOM 0 H ALA A 123 12.760 -11.624 -0.875 1.00 2.13 H new ATOM 0 HA ALA A 123 14.820 -10.334 -2.556 1.00 2.55 H new ATOM 0 HB1 ALA A 123 14.995 -8.567 -0.842 1.00 3.05 H new ATOM 0 HB2 ALA A 123 13.393 -8.576 -1.617 1.00 3.05 H new ATOM 0 HB3 ALA A 123 13.597 -9.263 0.012 1.00 3.05 H new TER 1965 ALA A 123 ATOM 1966 P DA B 204 -7.865 -6.598 0.858 1.00 0.77 P ATOM 1967 OP1 DA B 204 -6.564 -6.824 0.179 1.00 1.08 O ATOM 1968 OP2 DA B 204 -7.897 -6.390 2.330 1.00 1.05 O ATOM 1969 O5' DA B 204 -8.587 -5.358 0.163 1.00 0.97 O ATOM 1970 C5' DA B 204 -7.930 -4.559 -0.825 1.00 0.56 C ATOM 1971 C4' DA B 204 -8.662 -4.644 -2.143 1.00 0.56 C ATOM 1972 O4' DA B 204 -8.159 -5.788 -2.865 1.00 0.57 O ATOM 1973 C3' DA B 204 -10.171 -4.862 -2.036 1.00 0.57 C ATOM 1974 O3' DA B 204 -10.865 -3.665 -2.405 1.00 0.69 O ATOM 1975 C2' DA B 204 -10.483 -5.972 -3.032 1.00 0.60 C ATOM 1976 C1' DA B 204 -9.167 -6.238 -3.745 1.00 0.58 C ATOM 1977 N9 DA B 204 -8.908 -7.646 -4.046 1.00 0.64 N ATOM 1978 C8 DA B 204 -9.136 -8.741 -3.249 1.00 0.70 C ATOM 1979 N7 DA B 204 -8.852 -9.883 -3.826 1.00 0.79 N ATOM 1980 C5 DA B 204 -8.406 -9.517 -5.088 1.00 0.79 C ATOM 1981 C6 DA B 204 -7.952 -10.268 -6.184 1.00 0.90 C ATOM 1982 N6 DA B 204 -7.885 -11.599 -6.191 1.00 1.01 N ATOM 1983 N1 DA B 204 -7.577 -9.597 -7.294 1.00 0.91 N ATOM 1984 C2 DA B 204 -7.659 -8.262 -7.292 1.00 0.83 C ATOM 1985 N3 DA B 204 -8.070 -7.445 -6.325 1.00 0.72 N ATOM 1986 C4 DA B 204 -8.434 -8.143 -5.237 1.00 0.70 C ATOM 0 H5' DA B 204 -6.902 -4.898 -0.951 1.00 0.56 H new ATOM 0 H5'' DA B 204 -7.886 -3.522 -0.493 1.00 0.56 H new ATOM 0 H4' DA B 204 -8.493 -3.682 -2.627 1.00 0.56 H new ATOM 0 H3' DA B 204 -10.479 -5.120 -1.023 1.00 0.57 H new ATOM 0 H2' DA B 204 -10.846 -6.866 -2.526 1.00 0.60 H new ATOM 0 H2'' DA B 204 -11.258 -5.666 -3.734 1.00 0.60 H new ATOM 0 H1' DA B 204 -9.195 -5.729 -4.708 1.00 0.58 H new ATOM 0 H8 DA B 204 -9.514 -8.668 -2.240 1.00 0.70 H new ATOM 0 H61 DA B 204 -7.546 -12.088 -7.019 1.00 1.01 H new ATOM 0 H62 DA B 204 -8.173 -12.128 -5.368 1.00 1.01 H new ATOM 0 H2 DA B 204 -7.347 -7.778 -8.206 1.00 0.83 H new ATOM 1998 P DC B 205 -11.821 -2.922 -1.346 1.00 0.79 P ATOM 1999 OP1 DC B 205 -11.921 -3.750 -0.117 1.00 0.86 O ATOM 2000 OP2 DC B 205 -13.060 -2.540 -2.071 1.00 1.03 O ATOM 2001 O5' DC B 205 -11.032 -1.583 -0.992 1.00 0.91 O ATOM 2002 C5' DC B 205 -9.968 -1.582 -0.037 1.00 0.74 C ATOM 2003 C4' DC B 205 -8.716 -0.977 -0.633 1.00 0.52 C ATOM 2004 O4' DC B 205 -8.713 -1.185 -2.067 1.00 0.55 O ATOM 2005 C3' DC B 205 -8.564 0.531 -0.429 1.00 0.41 C ATOM 2006 O3' DC B 205 -7.188 0.878 -0.240 1.00 0.51 O ATOM 2007 C2' DC B 205 -9.096 1.114 -1.727 1.00 0.47 C ATOM 2008 C1' DC B 205 -8.698 0.063 -2.747 1.00 0.49 C ATOM 2009 N1 DC B 205 -9.610 -0.038 -3.898 1.00 0.55 N ATOM 2010 C2 DC B 205 -9.199 0.443 -5.146 1.00 0.65 C ATOM 2011 O2 DC B 205 -8.066 0.936 -5.261 1.00 0.78 O ATOM 2012 N3 DC B 205 -10.046 0.356 -6.197 1.00 0.73 N ATOM 2013 C4 DC B 205 -11.257 -0.182 -6.038 1.00 0.77 C ATOM 2014 N4 DC B 205 -12.057 -0.240 -7.105 1.00 0.91 N ATOM 2015 C5 DC B 205 -11.700 -0.680 -4.778 1.00 0.82 C ATOM 2016 C6 DC B 205 -10.851 -0.588 -3.747 1.00 0.69 C ATOM 0 H5' DC B 205 -9.765 -2.602 0.290 1.00 0.74 H new ATOM 0 H5'' DC B 205 -10.266 -1.017 0.846 1.00 0.74 H new ATOM 0 H4' DC B 205 -7.898 -1.475 -0.112 1.00 0.52 H new ATOM 0 H3' DC B 205 -9.090 0.901 0.451 1.00 0.41 H new ATOM 0 H2' DC B 205 -10.176 1.259 -1.694 1.00 0.47 H new ATOM 0 H2'' DC B 205 -8.651 2.084 -1.949 1.00 0.47 H new ATOM 0 HO3' DC B 205 -6.739 0.919 -1.110 1.00 0.51 H new ATOM 0 H1' DC B 205 -7.724 0.341 -3.149 1.00 0.49 H new ATOM 0 H41 DC B 205 -12.990 -0.644 -7.022 1.00 0.91 H new ATOM 0 H42 DC B 205 -11.736 0.120 -8.004 1.00 0.91 H new ATOM 0 H5 DC B 205 -12.682 -1.114 -4.660 1.00 0.82 H new ATOM 0 H6 DC B 205 -11.153 -0.956 -2.777 1.00 0.69 H new TER 2029 DC B 205