USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 864 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 500 HECFE :(H bumps) USER MOD NoAdj-H: A 500 HEC HAC : A 500 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC HAB : A 500 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC H2D : A 500 HEC O2D : A 500 HEC CGD :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot 180:sc= 0.148 USER MOD Set 1.2: A 80 MET CE :methyl 180:sc= -0.339 (180deg=-0.237) USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= 0.0986 USER MOD Set 2.2: A 79 LYS NZ :NH3+ 143:sc= -5.65! (180deg=-5.91!) USER MOD Set 3.1: A 22 LYS NZ :NH3+ 164:sc= -0.0704 (180deg=-0.539) USER MOD Set 3.2: A 33 HIS : no HE2:sc= -1.42! C(o=-1.5!,f=-3.7!) USER MOD Set 4.1: A 15 SER OG : rot 180:sc= -2.76 USER MOD Set 4.2: A 16 GLN : amide:sc= -5.58! C(o=-8.3!,f=-8.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -163:sc= -0.269 (180deg=-0.984) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 141:sc= -0.177 (180deg=-2.07!) USER MOD Single : A 19 THR OG1 : rot -160:sc= -0.0951 USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0937) USER MOD Single : A 26 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.013) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 88:sc= -4.83! USER MOD Single : A 31 ASN : amide:sc= -7.72! C(o=-7.7!,f=-17!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 128:sc= 0.327 USER MOD Single : A 42 GLN :FLIP amide:sc= -1.11 F(o=-2.4,f=-1.1) USER MOD Single : A 46 TYR OH : rot 150:sc= 0.228 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -4.52! USER MOD Single : A 52 ASN : amide:sc= -2.27 X(o=-2.3,f=-2.5!) USER MOD Single : A 53 LYS NZ :NH3+ 154:sc= -0.154 (180deg=-0.811) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.795! F(o=-2.2,f=-0.79!) USER MOD Single : A 55 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0157) USER MOD Single : A 63 THR OG1 : rot 34:sc= -0.572 USER MOD Single : A 65 MET CE :methyl 180:sc= -2.96 (180deg=-2.96) USER MOD Single : A 70 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.4) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -114:sc= -1.88 (180deg=-4.66!) USER MOD Single : A 74 TYR OH : rot 130:sc= -2.71 USER MOD Single : A 78 THR OG1 : rot 40:sc= -0.916 USER MOD Single : A 86 LYS NZ :NH3+ -123:sc= -0.0102 (180deg=-0.236) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 179:sc= 0.454 USER MOD Single : A 99 LYS NZ :NH3+ 166:sc= -0.0197 (180deg=-0.265) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -81:sc= 0.866 USER MOD Single : A 103 ASN : amide:sc= -0.211 K(o=-0.21,f=-0.82) USER MOD Single : A 500 HEC O2A : rot 145:sc= -1.29! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.164 1.021 -1.157 1.00 24.45 N ATOM 2 CA GLY A 1 1.971 0.521 -2.257 1.00 4.32 C ATOM 3 C GLY A 1 1.644 -0.943 -2.556 1.00 34.12 C ATOM 4 O GLY A 1 1.988 -1.831 -1.778 1.00 52.20 O ATOM 0 H1 GLY A 1 1.405 2.016 -0.974 1.00 24.45 H new ATOM 0 H2 GLY A 1 0.157 0.949 -1.405 1.00 24.45 H new ATOM 0 H3 GLY A 1 1.352 0.457 -0.304 1.00 24.45 H new ATOM 0 HA2 GLY A 1 1.794 1.126 -3.146 1.00 4.32 H new ATOM 0 HA3 GLY A 1 3.028 0.618 -2.010 1.00 4.32 H new ATOM 8 N ASP A 2 0.983 -1.150 -3.685 1.00 42.55 N ATOM 9 CA ASP A 2 0.604 -2.491 -4.097 1.00 3.31 C ATOM 10 C ASP A 2 1.867 -3.318 -4.345 1.00 4.41 C ATOM 11 O ASP A 2 2.980 -2.835 -4.140 1.00 51.34 O ATOM 12 CB ASP A 2 -0.204 -2.462 -5.395 1.00 52.41 C ATOM 13 CG ASP A 2 -1.513 -1.673 -5.324 1.00 63.04 C ATOM 14 OD1 ASP A 2 -2.522 -2.054 -5.936 1.00 4.01 O ATOM 15 OD2 ASP A 2 -1.471 -0.612 -4.592 1.00 63.42 O1- ATOM 0 H ASP A 2 0.700 -0.411 -4.328 1.00 42.55 H new ATOM 0 HA ASP A 2 -0.004 -2.928 -3.305 1.00 3.31 H new ATOM 0 HB2 ASP A 2 0.417 -2.036 -6.183 1.00 52.41 H new ATOM 0 HB3 ASP A 2 -0.431 -3.487 -5.687 1.00 52.41 H new ATOM 21 N VAL A 3 1.653 -4.550 -4.781 1.00 75.13 N ATOM 22 CA VAL A 3 2.760 -5.449 -5.059 1.00 75.34 C ATOM 23 C VAL A 3 2.746 -5.826 -6.542 1.00 13.43 C ATOM 24 O VAL A 3 3.764 -5.714 -7.224 1.00 74.44 O ATOM 25 CB VAL A 3 2.691 -6.666 -4.133 1.00 52.14 C ATOM 26 CG1 VAL A 3 1.242 -7.004 -3.779 1.00 34.45 C ATOM 27 CG2 VAL A 3 3.399 -7.871 -4.757 1.00 44.44 C ATOM 0 H VAL A 3 0.729 -4.947 -4.949 1.00 75.13 H new ATOM 0 HA VAL A 3 3.711 -4.956 -4.858 1.00 75.34 H new ATOM 0 HB VAL A 3 3.211 -6.414 -3.209 1.00 52.14 H new ATOM 0 HG11 VAL A 3 1.221 -7.872 -3.120 1.00 34.45 H new ATOM 0 HG12 VAL A 3 0.783 -6.154 -3.274 1.00 34.45 H new ATOM 0 HG13 VAL A 3 0.687 -7.227 -4.690 1.00 34.45 H new ATOM 0 HG21 VAL A 3 3.335 -8.722 -4.079 1.00 44.44 H new ATOM 0 HG22 VAL A 3 2.921 -8.124 -5.703 1.00 44.44 H new ATOM 0 HG23 VAL A 3 4.446 -7.626 -4.934 1.00 44.44 H new ATOM 37 N GLU A 4 1.581 -6.263 -6.998 1.00 51.25 N ATOM 38 CA GLU A 4 1.422 -6.656 -8.388 1.00 54.55 C ATOM 39 C GLU A 4 1.942 -5.555 -9.314 1.00 41.14 C ATOM 40 O GLU A 4 2.294 -5.821 -10.462 1.00 54.03 O ATOM 41 CB GLU A 4 -0.038 -6.989 -8.699 1.00 30.12 C ATOM 42 CG GLU A 4 -0.414 -8.370 -8.157 1.00 30.34 C ATOM 43 CD GLU A 4 0.206 -9.481 -9.007 1.00 64.34 C ATOM 44 OE1 GLU A 4 -0.482 -10.073 -9.851 1.00 52.43 O ATOM 45 OE2 GLU A 4 1.452 -9.720 -8.768 1.00 73.12 O1- ATOM 0 H GLU A 4 0.739 -6.354 -6.430 1.00 51.25 H new ATOM 0 HA GLU A 4 2.011 -7.557 -8.560 1.00 54.55 H new ATOM 0 HB2 GLU A 4 -0.689 -6.233 -8.260 1.00 30.12 H new ATOM 0 HB3 GLU A 4 -0.199 -6.961 -9.777 1.00 30.12 H new ATOM 0 HG2 GLU A 4 -0.075 -8.464 -7.125 1.00 30.34 H new ATOM 0 HG3 GLU A 4 -1.499 -8.478 -8.147 1.00 30.34 H new ATOM 53 N LYS A 5 1.973 -4.343 -8.781 1.00 75.51 N ATOM 54 CA LYS A 5 2.445 -3.201 -9.545 1.00 13.03 C ATOM 55 C LYS A 5 3.972 -3.241 -9.624 1.00 44.51 C ATOM 56 O LYS A 5 4.554 -2.863 -10.639 1.00 62.31 O ATOM 57 CB LYS A 5 1.893 -1.899 -8.958 1.00 32.11 C ATOM 58 CG LYS A 5 0.471 -1.632 -9.457 1.00 40.51 C ATOM 59 CD LYS A 5 0.480 -1.161 -10.912 1.00 51.43 C ATOM 60 CE LYS A 5 0.776 0.337 -11.002 1.00 34.33 C ATOM 61 NZ LYS A 5 -0.480 1.118 -10.944 1.00 61.11 N1+ ATOM 0 H LYS A 5 1.679 -4.127 -7.829 1.00 75.51 H new ATOM 0 HA LYS A 5 2.072 -3.246 -10.568 1.00 13.03 H new ATOM 0 HB2 LYS A 5 1.895 -1.957 -7.870 1.00 32.11 H new ATOM 0 HB3 LYS A 5 2.541 -1.068 -9.234 1.00 32.11 H new ATOM 0 HG2 LYS A 5 -0.126 -2.540 -9.369 1.00 40.51 H new ATOM 0 HG3 LYS A 5 -0.003 -0.877 -8.830 1.00 40.51 H new ATOM 0 HD2 LYS A 5 1.230 -1.718 -11.473 1.00 51.43 H new ATOM 0 HD3 LYS A 5 -0.485 -1.373 -11.372 1.00 51.43 H new ATOM 0 HE2 LYS A 5 1.434 0.633 -10.185 1.00 34.33 H new ATOM 0 HE3 LYS A 5 1.304 0.554 -11.931 1.00 34.33 H new ATOM 0 HZ1 LYS A 5 -0.261 2.133 -11.006 1.00 61.11 H new ATOM 0 HZ2 LYS A 5 -1.094 0.847 -11.738 1.00 61.11 H new ATOM 0 HZ3 LYS A 5 -0.968 0.924 -10.047 1.00 61.11 H new ATOM 74 N GLY A 6 4.577 -3.702 -8.539 1.00 33.14 N ATOM 75 CA GLY A 6 6.026 -3.797 -8.474 1.00 41.25 C ATOM 76 C GLY A 6 6.503 -5.194 -8.877 1.00 61.35 C ATOM 77 O GLY A 6 7.697 -5.411 -9.080 1.00 72.04 O ATOM 0 H GLY A 6 4.091 -4.014 -7.698 1.00 33.14 H new ATOM 0 HA2 GLY A 6 6.473 -3.052 -9.133 1.00 41.25 H new ATOM 0 HA3 GLY A 6 6.364 -3.571 -7.463 1.00 41.25 H new ATOM 81 N LYS A 7 5.546 -6.105 -8.980 1.00 54.25 N ATOM 82 CA LYS A 7 5.853 -7.474 -9.354 1.00 13.43 C ATOM 83 C LYS A 7 6.208 -7.524 -10.842 1.00 11.22 C ATOM 84 O LYS A 7 6.908 -8.433 -11.287 1.00 40.24 O ATOM 85 CB LYS A 7 4.705 -8.407 -8.965 1.00 12.01 C ATOM 86 CG LYS A 7 4.948 -9.824 -9.487 1.00 61.14 C ATOM 87 CD LYS A 7 5.914 -10.586 -8.577 1.00 21.42 C ATOM 88 CE LYS A 7 5.635 -12.089 -8.618 1.00 53.44 C ATOM 89 NZ LYS A 7 4.495 -12.430 -7.737 1.00 74.43 N1+ ATOM 0 H LYS A 7 4.557 -5.921 -8.811 1.00 54.25 H new ATOM 0 HA LYS A 7 6.724 -7.832 -8.805 1.00 13.43 H new ATOM 0 HB2 LYS A 7 4.601 -8.428 -7.880 1.00 12.01 H new ATOM 0 HB3 LYS A 7 3.768 -8.023 -9.368 1.00 12.01 H new ATOM 0 HG2 LYS A 7 4.001 -10.360 -9.548 1.00 61.14 H new ATOM 0 HG3 LYS A 7 5.354 -9.778 -10.497 1.00 61.14 H new ATOM 0 HD2 LYS A 7 6.941 -10.394 -8.889 1.00 21.42 H new ATOM 0 HD3 LYS A 7 5.819 -10.223 -7.554 1.00 21.42 H new ATOM 0 HE2 LYS A 7 5.416 -12.396 -9.641 1.00 53.44 H new ATOM 0 HE3 LYS A 7 6.522 -12.638 -8.303 1.00 53.44 H new ATOM 0 HZ1 LYS A 7 4.320 -13.454 -7.777 1.00 74.43 H new ATOM 0 HZ2 LYS A 7 4.718 -12.155 -6.759 1.00 74.43 H new ATOM 0 HZ3 LYS A 7 3.646 -11.921 -8.055 1.00 74.43 H new ATOM 102 N LYS A 8 5.709 -6.536 -11.570 1.00 45.33 N ATOM 103 CA LYS A 8 5.965 -6.456 -12.998 1.00 12.01 C ATOM 104 C LYS A 8 7.317 -5.779 -13.233 1.00 54.24 C ATOM 105 O LYS A 8 8.106 -6.231 -14.061 1.00 40.24 O ATOM 106 CB LYS A 8 4.801 -5.768 -13.713 1.00 14.42 C ATOM 107 CG LYS A 8 3.668 -6.758 -13.994 1.00 34.03 C ATOM 108 CD LYS A 8 3.898 -7.494 -15.315 1.00 33.34 C ATOM 109 CE LYS A 8 3.841 -6.527 -16.498 1.00 60.43 C ATOM 110 NZ LYS A 8 2.825 -5.476 -16.262 1.00 31.43 N1+ ATOM 0 H LYS A 8 5.129 -5.784 -11.198 1.00 45.33 H new ATOM 0 HA LYS A 8 6.029 -7.455 -13.430 1.00 12.01 H new ATOM 0 HB2 LYS A 8 4.428 -4.947 -13.101 1.00 14.42 H new ATOM 0 HB3 LYS A 8 5.150 -5.334 -14.650 1.00 14.42 H new ATOM 0 HG2 LYS A 8 3.600 -7.479 -13.179 1.00 34.03 H new ATOM 0 HG3 LYS A 8 2.717 -6.227 -14.030 1.00 34.03 H new ATOM 0 HD2 LYS A 8 4.867 -7.992 -15.294 1.00 33.34 H new ATOM 0 HD3 LYS A 8 3.143 -8.271 -15.439 1.00 33.34 H new ATOM 0 HE2 LYS A 8 4.819 -6.069 -16.648 1.00 60.43 H new ATOM 0 HE3 LYS A 8 3.602 -7.073 -17.410 1.00 60.43 H new ATOM 0 HZ1 LYS A 8 2.592 -5.010 -17.162 1.00 31.43 H new ATOM 0 HZ2 LYS A 8 1.967 -5.906 -15.862 1.00 31.43 H new ATOM 0 HZ3 LYS A 8 3.202 -4.772 -15.596 1.00 31.43 H new ATOM 123 N ILE A 9 7.543 -4.708 -12.488 1.00 72.22 N ATOM 124 CA ILE A 9 8.787 -3.964 -12.604 1.00 63.35 C ATOM 125 C ILE A 9 9.947 -4.841 -12.127 1.00 74.32 C ATOM 126 O ILE A 9 11.111 -4.498 -12.329 1.00 34.45 O ATOM 127 CB ILE A 9 8.682 -2.627 -11.867 1.00 33.41 C ATOM 128 CG1 ILE A 9 7.683 -1.697 -12.557 1.00 13.20 C ATOM 129 CG2 ILE A 9 10.059 -1.977 -11.714 1.00 10.42 C ATOM 130 CD1 ILE A 9 7.009 -0.767 -11.545 1.00 3.44 C ATOM 0 H ILE A 9 6.886 -4.337 -11.801 1.00 72.22 H new ATOM 0 HA ILE A 9 8.985 -3.712 -13.646 1.00 63.35 H new ATOM 0 HB ILE A 9 8.302 -2.819 -10.863 1.00 33.41 H new ATOM 0 HG12 ILE A 9 8.196 -1.105 -13.315 1.00 13.20 H new ATOM 0 HG13 ILE A 9 6.926 -2.289 -13.073 1.00 13.20 H new ATOM 0 HG21 ILE A 9 9.957 -1.028 -11.187 1.00 10.42 H new ATOM 0 HG22 ILE A 9 10.713 -2.639 -11.146 1.00 10.42 H new ATOM 0 HG23 ILE A 9 10.489 -1.800 -12.700 1.00 10.42 H new ATOM 0 HD11 ILE A 9 6.304 -0.117 -12.062 1.00 3.44 H new ATOM 0 HD12 ILE A 9 6.477 -1.362 -10.803 1.00 3.44 H new ATOM 0 HD13 ILE A 9 7.766 -0.160 -11.049 1.00 3.44 H new ATOM 142 N PHE A 10 9.588 -5.953 -11.505 1.00 22.51 N ATOM 143 CA PHE A 10 10.585 -6.881 -10.998 1.00 30.30 C ATOM 144 C PHE A 10 11.004 -7.881 -12.079 1.00 54.03 C ATOM 145 O PHE A 10 12.120 -8.396 -12.053 1.00 62.33 O ATOM 146 CB PHE A 10 9.938 -7.644 -9.840 1.00 71.01 C ATOM 147 CG PHE A 10 10.518 -9.041 -9.613 1.00 62.01 C ATOM 148 CD1 PHE A 10 11.800 -9.182 -9.178 1.00 65.44 C ATOM 149 CD2 PHE A 10 9.754 -10.141 -9.846 1.00 53.24 C ATOM 150 CE1 PHE A 10 12.338 -10.479 -8.968 1.00 63.41 C ATOM 151 CE2 PHE A 10 10.293 -11.438 -9.636 1.00 45.31 C ATOM 152 CZ PHE A 10 11.574 -11.580 -9.200 1.00 72.24 C ATOM 0 H PHE A 10 8.621 -6.233 -11.340 1.00 22.51 H new ATOM 0 HA PHE A 10 11.473 -6.335 -10.681 1.00 30.30 H new ATOM 0 HB2 PHE A 10 10.053 -7.062 -8.926 1.00 71.01 H new ATOM 0 HB3 PHE A 10 8.868 -7.733 -10.030 1.00 71.01 H new ATOM 0 HD1 PHE A 10 12.407 -8.308 -8.993 1.00 65.44 H new ATOM 0 HD2 PHE A 10 8.737 -10.029 -10.191 1.00 53.24 H new ATOM 0 HE1 PHE A 10 13.355 -10.591 -8.624 1.00 63.41 H new ATOM 0 HE2 PHE A 10 9.686 -12.312 -9.822 1.00 45.31 H new ATOM 0 HZ PHE A 10 11.984 -12.566 -9.038 1.00 72.24 H new ATOM 162 N ILE A 11 10.087 -8.123 -13.003 1.00 5.51 N ATOM 163 CA ILE A 11 10.347 -9.050 -14.091 1.00 1.20 C ATOM 164 C ILE A 11 11.158 -8.341 -15.178 1.00 50.30 C ATOM 165 O ILE A 11 12.325 -8.661 -15.395 1.00 63.10 O ATOM 166 CB ILE A 11 9.039 -9.661 -14.600 1.00 12.30 C ATOM 167 CG1 ILE A 11 8.399 -10.550 -13.532 1.00 73.50 C ATOM 168 CG2 ILE A 11 9.260 -10.411 -15.915 1.00 74.44 C ATOM 169 CD1 ILE A 11 6.874 -10.553 -13.665 1.00 31.21 C ATOM 0 H ILE A 11 9.162 -7.693 -13.021 1.00 5.51 H new ATOM 0 HA ILE A 11 10.948 -9.889 -13.740 1.00 1.20 H new ATOM 0 HB ILE A 11 8.339 -8.851 -14.806 1.00 12.30 H new ATOM 0 HG12 ILE A 11 8.778 -11.568 -13.625 1.00 73.50 H new ATOM 0 HG13 ILE A 11 8.681 -10.195 -12.541 1.00 73.50 H new ATOM 0 HG21 ILE A 11 8.315 -10.835 -16.255 1.00 74.44 H new ATOM 0 HG22 ILE A 11 9.640 -9.721 -16.668 1.00 74.44 H new ATOM 0 HG23 ILE A 11 9.983 -11.212 -15.760 1.00 74.44 H new ATOM 0 HD11 ILE A 11 6.443 -11.192 -12.895 1.00 31.21 H new ATOM 0 HD12 ILE A 11 6.496 -9.537 -13.547 1.00 31.21 H new ATOM 0 HD13 ILE A 11 6.595 -10.932 -14.648 1.00 31.21 H new ATOM 181 N MET A 12 10.507 -7.389 -15.831 1.00 24.33 N ATOM 182 CA MET A 12 11.153 -6.632 -16.889 1.00 1.20 C ATOM 183 C MET A 12 12.594 -6.284 -16.513 1.00 33.53 C ATOM 184 O MET A 12 13.446 -6.124 -17.386 1.00 42.35 O ATOM 185 CB MET A 12 10.368 -5.345 -17.147 1.00 60.40 C ATOM 186 CG MET A 12 9.300 -5.560 -18.222 1.00 23.04 C ATOM 187 SD MET A 12 10.075 -5.838 -19.805 1.00 15.25 S ATOM 188 CE MET A 12 8.911 -6.986 -20.523 1.00 65.42 C ATOM 0 H MET A 12 9.539 -7.125 -15.647 1.00 24.33 H new ATOM 0 HA MET A 12 11.171 -7.245 -17.790 1.00 1.20 H new ATOM 0 HB2 MET A 12 9.897 -5.011 -16.223 1.00 60.40 H new ATOM 0 HB3 MET A 12 11.051 -4.555 -17.460 1.00 60.40 H new ATOM 0 HG2 MET A 12 8.674 -6.413 -17.959 1.00 23.04 H new ATOM 0 HG3 MET A 12 8.646 -4.690 -18.276 1.00 23.04 H new ATOM 0 HE1 MET A 12 9.245 -7.266 -21.522 1.00 65.42 H new ATOM 0 HE2 MET A 12 8.847 -7.877 -19.899 1.00 65.42 H new ATOM 0 HE3 MET A 12 7.929 -6.517 -20.587 1.00 65.42 H new ATOM 198 N LYS A 13 12.824 -6.177 -15.213 1.00 62.15 N ATOM 199 CA LYS A 13 14.148 -5.851 -14.711 1.00 62.04 C ATOM 200 C LYS A 13 14.789 -7.109 -14.121 1.00 3.45 C ATOM 201 O LYS A 13 15.717 -7.668 -14.704 1.00 2.42 O ATOM 202 CB LYS A 13 14.075 -4.680 -13.728 1.00 42.23 C ATOM 203 CG LYS A 13 14.329 -3.350 -14.440 1.00 64.41 C ATOM 204 CD LYS A 13 14.106 -2.170 -13.493 1.00 24.41 C ATOM 205 CE LYS A 13 13.676 -0.920 -14.267 1.00 3.12 C ATOM 206 NZ LYS A 13 12.920 0.000 -13.387 1.00 43.44 N1+ ATOM 0 H LYS A 13 12.115 -6.310 -14.492 1.00 62.15 H new ATOM 0 HA LYS A 13 14.792 -5.516 -15.524 1.00 62.04 H new ATOM 0 HB2 LYS A 13 13.094 -4.660 -13.252 1.00 42.23 H new ATOM 0 HB3 LYS A 13 14.811 -4.819 -12.936 1.00 42.23 H new ATOM 0 HG2 LYS A 13 15.350 -3.327 -14.822 1.00 64.41 H new ATOM 0 HG3 LYS A 13 13.665 -3.261 -15.300 1.00 64.41 H new ATOM 0 HD2 LYS A 13 13.343 -2.428 -12.758 1.00 24.41 H new ATOM 0 HD3 LYS A 13 15.023 -1.963 -12.941 1.00 24.41 H new ATOM 0 HE2 LYS A 13 14.554 -0.412 -14.666 1.00 3.12 H new ATOM 0 HE3 LYS A 13 13.059 -1.207 -15.119 1.00 3.12 H new ATOM 0 HZ1 LYS A 13 13.186 0.982 -13.601 1.00 43.44 H new ATOM 0 HZ2 LYS A 13 11.900 -0.125 -13.548 1.00 43.44 H new ATOM 0 HZ3 LYS A 13 13.142 -0.210 -12.393 1.00 43.44 H new ATOM 219 N CYS A 14 14.269 -7.517 -12.973 1.00 12.24 N ATOM 220 CA CYS A 14 14.779 -8.699 -12.298 1.00 32.54 C ATOM 221 C CYS A 14 14.050 -9.923 -12.856 1.00 32.32 C ATOM 222 O CYS A 14 13.530 -10.739 -12.096 1.00 22.25 O ATOM 223 CB CYS A 14 14.633 -8.590 -10.779 1.00 14.53 C ATOM 224 SG CYS A 14 14.444 -6.884 -10.146 1.00 23.33 S ATOM 0 H CYS A 14 13.500 -7.050 -12.493 1.00 12.24 H new ATOM 0 HA CYS A 14 15.848 -8.797 -12.488 1.00 32.54 H new ATOM 0 HB2 CYS A 14 13.768 -9.176 -10.468 1.00 14.53 H new ATOM 0 HB3 CYS A 14 15.508 -9.041 -10.311 1.00 14.53 H new ATOM 229 N SER A 15 14.034 -10.012 -14.178 1.00 63.31 N ATOM 230 CA SER A 15 13.377 -11.122 -14.845 1.00 52.21 C ATOM 231 C SER A 15 13.898 -12.449 -14.291 1.00 14.32 C ATOM 232 O SER A 15 13.270 -13.052 -13.421 1.00 24.42 O ATOM 233 CB SER A 15 13.590 -11.059 -16.359 1.00 24.11 C ATOM 234 OG SER A 15 13.244 -12.285 -16.998 1.00 62.04 O ATOM 0 H SER A 15 14.466 -9.333 -14.805 1.00 63.31 H new ATOM 0 HA SER A 15 12.307 -11.051 -14.652 1.00 52.21 H new ATOM 0 HB2 SER A 15 12.990 -10.251 -16.776 1.00 24.11 H new ATOM 0 HB3 SER A 15 14.633 -10.822 -16.569 1.00 24.11 H new ATOM 0 HG SER A 15 13.393 -12.204 -17.963 1.00 62.04 H new ATOM 240 N GLN A 16 15.041 -12.865 -14.815 1.00 3.25 N ATOM 241 CA GLN A 16 15.654 -14.110 -14.383 1.00 0.11 C ATOM 242 C GLN A 16 17.049 -13.844 -13.813 1.00 64.21 C ATOM 243 O GLN A 16 18.037 -14.391 -14.300 1.00 52.24 O ATOM 244 CB GLN A 16 15.715 -15.118 -15.532 1.00 55.01 C ATOM 245 CG GLN A 16 14.540 -14.926 -16.493 1.00 51.45 C ATOM 246 CD GLN A 16 13.208 -14.949 -15.742 1.00 65.25 C ATOM 247 OE1 GLN A 16 13.130 -15.291 -14.574 1.00 12.42 O ATOM 248 NE2 GLN A 16 12.166 -14.567 -16.476 1.00 43.12 N ATOM 0 H GLN A 16 15.559 -12.362 -15.535 1.00 3.25 H new ATOM 0 HA GLN A 16 15.037 -14.543 -13.596 1.00 0.11 H new ATOM 0 HB2 GLN A 16 16.654 -15.002 -16.073 1.00 55.01 H new ATOM 0 HB3 GLN A 16 15.700 -16.132 -15.132 1.00 55.01 H new ATOM 0 HG2 GLN A 16 14.648 -13.978 -17.020 1.00 51.45 H new ATOM 0 HG3 GLN A 16 14.550 -15.713 -17.247 1.00 51.45 H new ATOM 0 HE21 GLN A 16 12.301 -14.293 -17.449 1.00 43.12 H new ATOM 0 HE22 GLN A 16 11.232 -14.548 -16.066 1.00 43.12 H new ATOM 257 N CYS A 17 17.084 -13.004 -12.789 1.00 41.41 N ATOM 258 CA CYS A 17 18.341 -12.659 -12.146 1.00 75.41 C ATOM 259 C CYS A 17 18.206 -12.935 -10.648 1.00 51.53 C ATOM 260 O CYS A 17 19.090 -13.540 -10.041 1.00 52.44 O ATOM 261 CB CYS A 17 18.740 -11.210 -12.426 1.00 31.53 C ATOM 262 SG CYS A 17 19.809 -10.978 -13.895 1.00 22.31 S ATOM 0 H CYS A 17 16.262 -12.552 -12.388 1.00 41.41 H new ATOM 0 HA CYS A 17 19.143 -13.273 -12.556 1.00 75.41 H new ATOM 0 HB2 CYS A 17 17.835 -10.617 -12.556 1.00 31.53 H new ATOM 0 HB3 CYS A 17 19.257 -10.815 -11.552 1.00 31.53 H new ATOM 267 N HIS A 18 17.093 -12.477 -10.092 1.00 64.33 N ATOM 268 CA HIS A 18 16.831 -12.666 -8.675 1.00 50.04 C ATOM 269 C HIS A 18 15.718 -13.701 -8.493 1.00 45.23 C ATOM 270 O HIS A 18 15.149 -14.185 -9.470 1.00 13.43 O ATOM 271 CB HIS A 18 16.517 -11.331 -7.998 1.00 30.21 C ATOM 272 CG HIS A 18 17.715 -10.425 -7.843 1.00 12.01 C ATOM 273 ND1 HIS A 18 18.755 -10.698 -6.972 1.00 53.33 N ATOM 274 CD2 HIS A 18 18.026 -9.247 -8.457 1.00 63.45 C ATOM 275 CE1 HIS A 18 19.646 -9.722 -7.066 1.00 1.34 C ATOM 276 NE2 HIS A 18 19.193 -8.824 -7.986 1.00 4.41 N ATOM 0 H HIS A 18 16.363 -11.976 -10.597 1.00 64.33 H new ATOM 0 HA HIS A 18 17.724 -13.054 -8.184 1.00 50.04 H new ATOM 0 HB2 HIS A 18 15.754 -10.812 -8.578 1.00 30.21 H new ATOM 0 HB3 HIS A 18 16.092 -11.526 -7.014 1.00 30.21 H new ATOM 0 HD1 HIS A 18 18.824 -11.512 -6.361 1.00 53.33 H new ATOM 0 HD2 HIS A 18 17.425 -8.744 -9.200 1.00 63.45 H new ATOM 0 HE1 HIS A 18 20.570 -9.650 -6.511 1.00 1.34 H new ATOM 284 N THR A 19 15.441 -14.008 -7.235 1.00 3.13 N ATOM 285 CA THR A 19 14.406 -14.975 -6.912 1.00 10.30 C ATOM 286 C THR A 19 13.301 -14.317 -6.083 1.00 53.54 C ATOM 287 O THR A 19 12.123 -14.625 -6.257 1.00 63.55 O ATOM 288 CB THR A 19 15.070 -16.160 -6.206 1.00 22.40 C ATOM 289 OG1 THR A 19 16.060 -15.559 -5.376 1.00 12.31 O ATOM 290 CG2 THR A 19 15.874 -17.038 -7.169 1.00 53.02 C ATOM 0 H THR A 19 15.915 -13.604 -6.427 1.00 3.13 H new ATOM 0 HA THR A 19 13.917 -15.346 -7.813 1.00 10.30 H new ATOM 0 HB THR A 19 14.308 -16.764 -5.714 1.00 22.40 H new ATOM 0 HG1 THR A 19 16.733 -16.228 -5.133 1.00 12.31 H new ATOM 0 HG21 THR A 19 16.325 -17.864 -6.618 1.00 53.02 H new ATOM 0 HG22 THR A 19 15.212 -17.434 -7.939 1.00 53.02 H new ATOM 0 HG23 THR A 19 16.659 -16.442 -7.636 1.00 53.02 H new ATOM 298 N VAL A 20 13.721 -13.424 -5.199 1.00 23.12 N ATOM 299 CA VAL A 20 12.781 -12.719 -4.344 1.00 24.13 C ATOM 300 C VAL A 20 11.794 -13.723 -3.743 1.00 41.42 C ATOM 301 O VAL A 20 10.651 -13.375 -3.448 1.00 25.44 O ATOM 302 CB VAL A 20 12.093 -11.601 -5.129 1.00 32.22 C ATOM 303 CG1 VAL A 20 13.112 -10.576 -5.630 1.00 62.12 C ATOM 304 CG2 VAL A 20 11.273 -12.171 -6.289 1.00 12.44 C ATOM 0 H VAL A 20 14.699 -13.173 -5.056 1.00 23.12 H new ATOM 0 HA VAL A 20 13.304 -12.240 -3.516 1.00 24.13 H new ATOM 0 HB VAL A 20 11.408 -11.089 -4.453 1.00 32.22 H new ATOM 0 HG11 VAL A 20 12.597 -9.792 -6.185 1.00 62.12 H new ATOM 0 HG12 VAL A 20 13.634 -10.136 -4.780 1.00 62.12 H new ATOM 0 HG13 VAL A 20 13.833 -11.069 -6.283 1.00 62.12 H new ATOM 0 HG21 VAL A 20 10.794 -11.356 -6.831 1.00 12.44 H new ATOM 0 HG22 VAL A 20 11.930 -12.719 -6.964 1.00 12.44 H new ATOM 0 HG23 VAL A 20 10.510 -12.845 -5.899 1.00 12.44 H new ATOM 314 N GLU A 21 12.271 -14.948 -3.579 1.00 11.10 N ATOM 315 CA GLU A 21 11.444 -16.003 -3.020 1.00 25.04 C ATOM 316 C GLU A 21 12.213 -16.760 -1.935 1.00 12.30 C ATOM 317 O GLU A 21 13.410 -17.007 -2.074 1.00 52.20 O ATOM 318 CB GLU A 21 10.958 -16.957 -4.113 1.00 44.12 C ATOM 319 CG GLU A 21 12.131 -17.485 -4.941 1.00 55.24 C ATOM 320 CD GLU A 21 11.848 -18.899 -5.455 1.00 31.53 C ATOM 321 OE1 GLU A 21 12.177 -19.217 -6.607 1.00 42.20 O ATOM 322 OE2 GLU A 21 11.264 -19.679 -4.610 1.00 50.23 O1- ATOM 0 H GLU A 21 13.219 -15.233 -3.823 1.00 11.10 H new ATOM 0 HA GLU A 21 10.565 -15.546 -2.565 1.00 25.04 H new ATOM 0 HB2 GLU A 21 10.423 -17.792 -3.660 1.00 44.12 H new ATOM 0 HB3 GLU A 21 10.252 -16.441 -4.764 1.00 44.12 H new ATOM 0 HG2 GLU A 21 12.315 -16.818 -5.783 1.00 55.24 H new ATOM 0 HG3 GLU A 21 13.036 -17.489 -4.334 1.00 55.24 H new ATOM 330 N LYS A 22 11.493 -17.108 -0.878 1.00 73.14 N ATOM 331 CA LYS A 22 12.092 -17.831 0.231 1.00 13.40 C ATOM 332 C LYS A 22 13.056 -18.886 -0.315 1.00 71.42 C ATOM 333 O LYS A 22 14.231 -18.907 0.049 1.00 40.23 O ATOM 334 CB LYS A 22 11.008 -18.404 1.145 1.00 60.13 C ATOM 335 CG LYS A 22 11.627 -19.171 2.316 1.00 54.23 C ATOM 336 CD LYS A 22 10.587 -19.439 3.407 1.00 32.02 C ATOM 337 CE LYS A 22 11.211 -20.188 4.585 1.00 72.12 C ATOM 338 NZ LYS A 22 12.374 -19.444 5.116 1.00 5.33 N1+ ATOM 0 H LYS A 22 10.500 -16.902 -0.766 1.00 73.14 H new ATOM 0 HA LYS A 22 12.678 -17.155 0.854 1.00 13.40 H new ATOM 0 HB2 LYS A 22 10.383 -17.596 1.525 1.00 60.13 H new ATOM 0 HB3 LYS A 22 10.359 -19.067 0.574 1.00 60.13 H new ATOM 0 HG2 LYS A 22 12.038 -20.116 1.960 1.00 54.23 H new ATOM 0 HG3 LYS A 22 12.457 -18.599 2.732 1.00 54.23 H new ATOM 0 HD2 LYS A 22 10.166 -18.495 3.753 1.00 32.02 H new ATOM 0 HD3 LYS A 22 9.764 -20.023 2.995 1.00 32.02 H new ATOM 0 HE2 LYS A 22 10.469 -20.323 5.372 1.00 72.12 H new ATOM 0 HE3 LYS A 22 11.523 -21.183 4.267 1.00 72.12 H new ATOM 0 HZ1 LYS A 22 12.617 -19.808 6.060 1.00 5.33 H new ATOM 0 HZ2 LYS A 22 13.186 -19.567 4.478 1.00 5.33 H new ATOM 0 HZ3 LYS A 22 12.138 -18.434 5.185 1.00 5.33 H new ATOM 351 N GLY A 23 12.524 -19.736 -1.182 1.00 32.25 N ATOM 352 CA GLY A 23 13.322 -20.791 -1.782 1.00 1.23 C ATOM 353 C GLY A 23 14.019 -20.297 -3.051 1.00 60.40 C ATOM 354 O GLY A 23 14.087 -21.015 -4.047 1.00 40.12 O ATOM 0 H GLY A 23 11.550 -19.715 -1.483 1.00 32.25 H new ATOM 0 HA2 GLY A 23 14.066 -21.140 -1.067 1.00 1.23 H new ATOM 0 HA3 GLY A 23 12.685 -21.643 -2.021 1.00 1.23 H new ATOM 358 N GLY A 24 14.521 -19.073 -2.974 1.00 42.54 N ATOM 359 CA GLY A 24 15.211 -18.473 -4.104 1.00 13.42 C ATOM 360 C GLY A 24 16.625 -19.037 -4.244 1.00 24.43 C ATOM 361 O GLY A 24 17.379 -19.085 -3.272 1.00 31.23 O ATOM 0 H GLY A 24 14.464 -18.480 -2.146 1.00 42.54 H new ATOM 0 HA2 GLY A 24 14.649 -18.660 -5.019 1.00 13.42 H new ATOM 0 HA3 GLY A 24 15.258 -17.392 -3.974 1.00 13.42 H new ATOM 365 N LYS A 25 16.945 -19.451 -5.461 1.00 43.10 N ATOM 366 CA LYS A 25 18.256 -20.011 -5.741 1.00 25.50 C ATOM 367 C LYS A 25 19.219 -18.881 -6.114 1.00 31.53 C ATOM 368 O LYS A 25 18.891 -17.705 -5.959 1.00 63.34 O ATOM 369 CB LYS A 25 18.155 -21.107 -6.805 1.00 45.42 C ATOM 370 CG LYS A 25 18.154 -22.495 -6.162 1.00 33.12 C ATOM 371 CD LYS A 25 19.569 -23.078 -6.112 1.00 51.15 C ATOM 372 CE LYS A 25 19.533 -24.581 -5.833 1.00 20.45 C ATOM 373 NZ LYS A 25 18.896 -24.850 -4.524 1.00 61.34 N1+ ATOM 0 H LYS A 25 16.319 -19.410 -6.265 1.00 43.10 H new ATOM 0 HA LYS A 25 18.660 -20.496 -4.853 1.00 25.50 H new ATOM 0 HB2 LYS A 25 17.244 -20.971 -7.387 1.00 45.42 H new ATOM 0 HB3 LYS A 25 18.992 -21.024 -7.499 1.00 45.42 H new ATOM 0 HG2 LYS A 25 17.747 -22.432 -5.153 1.00 33.12 H new ATOM 0 HG3 LYS A 25 17.502 -23.161 -6.727 1.00 33.12 H new ATOM 0 HD2 LYS A 25 20.076 -22.892 -7.059 1.00 51.15 H new ATOM 0 HD3 LYS A 25 20.146 -22.574 -5.337 1.00 51.15 H new ATOM 0 HE2 LYS A 25 18.982 -25.091 -6.624 1.00 20.45 H new ATOM 0 HE3 LYS A 25 20.546 -24.983 -5.840 1.00 20.45 H new ATOM 0 HZ1 LYS A 25 19.030 -25.850 -4.272 1.00 61.34 H new ATOM 0 HZ2 LYS A 25 19.331 -24.248 -3.796 1.00 61.34 H new ATOM 0 HZ3 LYS A 25 17.879 -24.641 -4.583 1.00 61.34 H new ATOM 386 N HIS A 26 20.387 -19.277 -6.596 1.00 35.31 N ATOM 387 CA HIS A 26 21.399 -18.313 -6.991 1.00 31.21 C ATOM 388 C HIS A 26 21.731 -18.494 -8.474 1.00 31.35 C ATOM 389 O HIS A 26 22.248 -19.535 -8.875 1.00 63.11 O ATOM 390 CB HIS A 26 22.632 -18.420 -6.090 1.00 60.42 C ATOM 391 CG HIS A 26 22.311 -18.691 -4.640 1.00 74.52 C ATOM 392 ND1 HIS A 26 22.394 -17.718 -3.659 1.00 53.11 N ATOM 393 CD2 HIS A 26 21.906 -19.833 -4.015 1.00 43.12 C ATOM 394 CE1 HIS A 26 22.053 -18.262 -2.501 1.00 4.22 C ATOM 395 NE2 HIS A 26 21.752 -19.573 -2.723 1.00 45.54 N ATOM 0 H HIS A 26 20.655 -20.253 -6.722 1.00 35.31 H new ATOM 0 HA HIS A 26 21.013 -17.302 -6.862 1.00 31.21 H new ATOM 0 HB2 HIS A 26 23.275 -19.217 -6.464 1.00 60.42 H new ATOM 0 HB3 HIS A 26 23.201 -17.493 -6.158 1.00 60.42 H new ATOM 0 HD2 HIS A 26 21.739 -20.788 -4.491 1.00 43.12 H new ATOM 0 HE1 HIS A 26 22.019 -17.756 -1.548 1.00 4.22 H new ATOM 0 HE2 HIS A 26 21.457 -20.243 -2.013 1.00 45.54 H new ATOM 403 N LYS A 27 21.419 -17.464 -9.247 1.00 43.43 N ATOM 404 CA LYS A 27 21.677 -17.497 -10.676 1.00 42.03 C ATOM 405 C LYS A 27 22.634 -16.361 -11.043 1.00 2.45 C ATOM 406 O LYS A 27 23.846 -16.560 -11.106 1.00 22.32 O ATOM 407 CB LYS A 27 20.362 -17.470 -11.459 1.00 4.12 C ATOM 408 CG LYS A 27 20.186 -18.751 -12.278 1.00 44.14 C ATOM 409 CD LYS A 27 19.458 -18.464 -13.593 1.00 74.23 C ATOM 410 CE LYS A 27 17.946 -18.376 -13.376 1.00 2.05 C ATOM 411 NZ LYS A 27 17.226 -18.603 -14.647 1.00 22.44 N1+ ATOM 0 H LYS A 27 20.990 -16.602 -8.911 1.00 43.43 H new ATOM 0 HA LYS A 27 22.167 -18.430 -10.953 1.00 42.03 H new ATOM 0 HB2 LYS A 27 19.526 -17.357 -10.769 1.00 4.12 H new ATOM 0 HB3 LYS A 27 20.347 -16.605 -12.122 1.00 4.12 H new ATOM 0 HG2 LYS A 27 21.161 -19.191 -12.486 1.00 44.14 H new ATOM 0 HG3 LYS A 27 19.623 -19.483 -11.699 1.00 44.14 H new ATOM 0 HD2 LYS A 27 19.823 -17.529 -14.018 1.00 74.23 H new ATOM 0 HD3 LYS A 27 19.680 -19.250 -14.315 1.00 74.23 H new ATOM 0 HE2 LYS A 27 17.635 -19.115 -12.638 1.00 2.05 H new ATOM 0 HE3 LYS A 27 17.687 -17.396 -12.974 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 16.201 -18.540 -14.482 1.00 22.44 H new ATOM 0 HZ2 LYS A 27 17.510 -17.882 -15.340 1.00 22.44 H new ATOM 0 HZ3 LYS A 27 17.460 -19.547 -15.014 1.00 22.44 H new ATOM 424 N THR A 28 22.054 -15.192 -11.276 1.00 45.00 N ATOM 425 CA THR A 28 22.840 -14.024 -11.636 1.00 61.12 C ATOM 426 C THR A 28 23.262 -13.259 -10.380 1.00 45.43 C ATOM 427 O THR A 28 24.412 -12.842 -10.261 1.00 2.21 O ATOM 428 CB THR A 28 22.016 -13.182 -12.612 1.00 35.30 C ATOM 429 OG1 THR A 28 21.021 -12.575 -11.793 1.00 61.25 O ATOM 430 CG2 THR A 28 21.217 -14.040 -13.595 1.00 51.31 C ATOM 0 H THR A 28 21.049 -15.029 -11.222 1.00 45.00 H new ATOM 0 HA THR A 28 23.767 -14.309 -12.133 1.00 61.12 H new ATOM 0 HB THR A 28 22.678 -12.517 -13.166 1.00 35.30 H new ATOM 0 HG1 THR A 28 21.365 -11.732 -11.431 1.00 61.25 H new ATOM 0 HG21 THR A 28 20.650 -13.393 -14.265 1.00 51.31 H new ATOM 0 HG22 THR A 28 21.900 -14.657 -14.178 1.00 51.31 H new ATOM 0 HG23 THR A 28 20.530 -14.682 -13.043 1.00 51.31 H new ATOM 438 N GLY A 29 22.308 -13.100 -9.474 1.00 10.45 N ATOM 439 CA GLY A 29 22.567 -12.392 -8.232 1.00 52.43 C ATOM 440 C GLY A 29 22.207 -13.258 -7.023 1.00 73.33 C ATOM 441 O GLY A 29 21.654 -14.346 -7.177 1.00 12.41 O ATOM 0 H GLY A 29 21.355 -13.449 -9.575 1.00 10.45 H new ATOM 0 HA2 GLY A 29 23.619 -12.110 -8.182 1.00 52.43 H new ATOM 0 HA3 GLY A 29 21.988 -11.469 -8.208 1.00 52.43 H new ATOM 445 N PRO A 30 22.545 -12.729 -5.816 1.00 64.11 N ATOM 446 CA PRO A 30 22.263 -13.441 -4.582 1.00 53.23 C ATOM 447 C PRO A 30 20.775 -13.371 -4.235 1.00 41.02 C ATOM 448 O PRO A 30 20.132 -12.343 -4.444 1.00 1.24 O ATOM 449 CB PRO A 30 23.148 -12.781 -3.536 1.00 21.01 C ATOM 450 CG PRO A 30 23.542 -11.433 -4.115 1.00 61.15 C ATOM 451 CD PRO A 30 23.200 -11.443 -5.596 1.00 30.43 C ATOM 0 HA PRO A 30 22.479 -14.507 -4.653 1.00 53.23 H new ATOM 0 HB2 PRO A 30 22.615 -12.660 -2.593 1.00 21.01 H new ATOM 0 HB3 PRO A 30 24.028 -13.390 -3.329 1.00 21.01 H new ATOM 0 HG2 PRO A 30 23.010 -10.629 -3.606 1.00 61.15 H new ATOM 0 HG3 PRO A 30 24.607 -11.252 -3.971 1.00 61.15 H new ATOM 0 HD2 PRO A 30 22.542 -10.614 -5.856 1.00 30.43 H new ATOM 0 HD3 PRO A 30 24.095 -11.344 -6.210 1.00 30.43 H new ATOM 459 N ASN A 31 20.269 -14.478 -3.710 1.00 42.21 N ATOM 460 CA ASN A 31 18.868 -14.555 -3.333 1.00 54.23 C ATOM 461 C ASN A 31 18.463 -13.260 -2.625 1.00 24.12 C ATOM 462 O ASN A 31 19.297 -12.596 -2.012 1.00 22.02 O ATOM 463 CB ASN A 31 18.621 -15.717 -2.369 1.00 1.42 C ATOM 464 CG ASN A 31 17.244 -15.601 -1.712 1.00 33.11 C ATOM 465 OD1 ASN A 31 16.961 -14.683 -0.958 1.00 34.33 O ATOM 466 ND2 ASN A 31 16.405 -16.580 -2.038 1.00 24.23 N ATOM 0 H ASN A 31 20.805 -15.329 -3.537 1.00 42.21 H new ATOM 0 HA ASN A 31 18.282 -14.707 -4.240 1.00 54.23 H new ATOM 0 HB2 ASN A 31 18.693 -16.662 -2.907 1.00 1.42 H new ATOM 0 HB3 ASN A 31 19.395 -15.728 -1.601 1.00 1.42 H new ATOM 0 HD21 ASN A 31 15.461 -16.593 -1.651 1.00 24.23 H new ATOM 0 HD22 ASN A 31 16.705 -17.318 -2.675 1.00 24.23 H new ATOM 473 N LEU A 32 17.182 -12.939 -2.734 1.00 74.54 N ATOM 474 CA LEU A 32 16.656 -11.736 -2.113 1.00 5.51 C ATOM 475 C LEU A 32 15.471 -12.105 -1.218 1.00 71.53 C ATOM 476 O LEU A 32 14.318 -11.894 -1.591 1.00 22.25 O ATOM 477 CB LEU A 32 16.322 -10.687 -3.174 1.00 14.14 C ATOM 478 CG LEU A 32 17.491 -9.829 -3.661 1.00 30.32 C ATOM 479 CD1 LEU A 32 17.097 -9.011 -4.892 1.00 72.11 C ATOM 480 CD2 LEU A 32 18.029 -8.944 -2.534 1.00 23.23 C ATOM 0 H LEU A 32 16.493 -13.492 -3.244 1.00 74.54 H new ATOM 0 HA LEU A 32 17.409 -11.278 -1.472 1.00 5.51 H new ATOM 0 HB2 LEU A 32 15.887 -11.195 -4.035 1.00 14.14 H new ATOM 0 HB3 LEU A 32 15.554 -10.025 -2.773 1.00 14.14 H new ATOM 0 HG LEU A 32 18.300 -10.495 -3.962 1.00 30.32 H new ATOM 0 HD11 LEU A 32 17.947 -8.410 -5.217 1.00 72.11 H new ATOM 0 HD12 LEU A 32 16.800 -9.684 -5.696 1.00 72.11 H new ATOM 0 HD13 LEU A 32 16.264 -8.355 -4.641 1.00 72.11 H new ATOM 0 HD21 LEU A 32 18.859 -8.344 -2.907 1.00 23.23 H new ATOM 0 HD22 LEU A 32 17.237 -8.285 -2.179 1.00 23.23 H new ATOM 0 HD23 LEU A 32 18.375 -9.571 -1.712 1.00 23.23 H new ATOM 492 N HIS A 33 15.795 -12.649 -0.054 1.00 14.50 N ATOM 493 CA HIS A 33 14.772 -13.049 0.895 1.00 13.44 C ATOM 494 C HIS A 33 15.034 -12.378 2.245 1.00 62.54 C ATOM 495 O HIS A 33 14.109 -11.879 2.884 1.00 23.12 O ATOM 496 CB HIS A 33 14.692 -14.574 0.997 1.00 5.43 C ATOM 497 CG HIS A 33 14.129 -15.073 2.308 1.00 22.13 C ATOM 498 ND1 HIS A 33 13.204 -14.358 3.047 1.00 13.25 N ATOM 499 CD2 HIS A 33 14.370 -16.223 3.001 1.00 23.11 C ATOM 500 CE1 HIS A 33 12.908 -15.055 4.134 1.00 64.43 C ATOM 501 NE2 HIS A 33 13.633 -16.210 4.104 1.00 50.42 N ATOM 0 H HIS A 33 16.752 -12.822 0.253 1.00 14.50 H new ATOM 0 HA HIS A 33 13.795 -12.714 0.545 1.00 13.44 H new ATOM 0 HB2 HIS A 33 14.075 -14.951 0.181 1.00 5.43 H new ATOM 0 HB3 HIS A 33 15.690 -14.990 0.860 1.00 5.43 H new ATOM 0 HD1 HIS A 33 12.816 -13.448 2.797 1.00 13.25 H new ATOM 0 HD2 HIS A 33 15.046 -17.010 2.702 1.00 23.11 H new ATOM 0 HE1 HIS A 33 12.215 -14.761 4.908 1.00 64.43 H new ATOM 509 N GLY A 34 16.298 -12.388 2.639 1.00 75.21 N ATOM 510 CA GLY A 34 16.694 -11.785 3.901 1.00 51.24 C ATOM 511 C GLY A 34 17.320 -10.406 3.678 1.00 41.32 C ATOM 512 O GLY A 34 18.198 -9.991 4.432 1.00 23.54 O ATOM 0 H GLY A 34 17.062 -12.804 2.107 1.00 75.21 H new ATOM 0 HA2 GLY A 34 15.825 -11.693 4.552 1.00 51.24 H new ATOM 0 HA3 GLY A 34 17.407 -12.434 4.410 1.00 51.24 H new ATOM 516 N LEU A 35 16.841 -9.736 2.641 1.00 32.14 N ATOM 517 CA LEU A 35 17.343 -8.413 2.310 1.00 14.33 C ATOM 518 C LEU A 35 17.155 -7.485 3.512 1.00 14.32 C ATOM 519 O LEU A 35 18.109 -6.862 3.975 1.00 23.33 O ATOM 520 CB LEU A 35 16.688 -7.897 1.027 1.00 1.34 C ATOM 521 CG LEU A 35 16.970 -6.436 0.670 1.00 70.13 C ATOM 522 CD1 LEU A 35 18.380 -6.275 0.098 1.00 23.22 C ATOM 523 CD2 LEU A 35 15.902 -5.887 -0.278 1.00 20.03 C ATOM 0 H LEU A 35 16.111 -10.084 2.019 1.00 32.14 H new ATOM 0 HA LEU A 35 18.412 -8.453 2.101 1.00 14.33 H new ATOM 0 HB2 LEU A 35 17.017 -8.523 0.198 1.00 1.34 H new ATOM 0 HB3 LEU A 35 15.609 -8.027 1.116 1.00 1.34 H new ATOM 0 HG LEU A 35 16.923 -5.845 1.585 1.00 70.13 H new ATOM 0 HD11 LEU A 35 18.556 -5.228 -0.148 1.00 23.22 H new ATOM 0 HD12 LEU A 35 19.112 -6.602 0.837 1.00 23.22 H new ATOM 0 HD13 LEU A 35 18.478 -6.880 -0.803 1.00 23.22 H new ATOM 0 HD21 LEU A 35 16.126 -4.847 -0.516 1.00 20.03 H new ATOM 0 HD22 LEU A 35 15.893 -6.475 -1.196 1.00 20.03 H new ATOM 0 HD23 LEU A 35 14.925 -5.947 0.201 1.00 20.03 H new ATOM 535 N PHE A 36 15.918 -7.423 3.983 1.00 5.35 N ATOM 536 CA PHE A 36 15.593 -6.583 5.122 1.00 22.24 C ATOM 537 C PHE A 36 16.066 -7.222 6.430 1.00 61.41 C ATOM 538 O PHE A 36 15.684 -8.347 6.749 1.00 2.04 O ATOM 539 CB PHE A 36 14.069 -6.446 5.159 1.00 52.13 C ATOM 540 CG PHE A 36 13.505 -5.487 4.108 1.00 23.51 C ATOM 541 CD1 PHE A 36 13.484 -5.850 2.797 1.00 23.43 C ATOM 542 CD2 PHE A 36 13.026 -4.271 4.484 1.00 33.42 C ATOM 543 CE1 PHE A 36 12.960 -4.960 1.823 1.00 12.33 C ATOM 544 CE2 PHE A 36 12.503 -3.382 3.510 1.00 1.43 C ATOM 545 CZ PHE A 36 12.482 -3.744 2.200 1.00 2.54 C ATOM 0 H PHE A 36 15.129 -7.941 3.596 1.00 5.35 H new ATOM 0 HA PHE A 36 16.087 -5.616 5.021 1.00 22.24 H new ATOM 0 HB2 PHE A 36 13.622 -7.430 5.015 1.00 52.13 H new ATOM 0 HB3 PHE A 36 13.769 -6.101 6.149 1.00 52.13 H new ATOM 0 HD1 PHE A 36 13.866 -6.815 2.497 1.00 23.43 H new ATOM 0 HD2 PHE A 36 13.044 -3.982 5.524 1.00 33.42 H new ATOM 0 HE1 PHE A 36 12.941 -5.249 0.782 1.00 12.33 H new ATOM 0 HE2 PHE A 36 12.121 -2.417 3.810 1.00 1.43 H new ATOM 0 HZ PHE A 36 12.086 -3.066 1.459 1.00 2.54 H new ATOM 555 N GLY A 37 16.891 -6.478 7.151 1.00 15.13 N ATOM 556 CA GLY A 37 17.421 -6.959 8.416 1.00 44.23 C ATOM 557 C GLY A 37 18.611 -7.894 8.192 1.00 13.23 C ATOM 558 O GLY A 37 18.714 -8.938 8.834 1.00 33.14 O ATOM 0 H GLY A 37 17.206 -5.545 6.884 1.00 15.13 H new ATOM 0 HA2 GLY A 37 17.729 -6.113 9.030 1.00 44.23 H new ATOM 0 HA3 GLY A 37 16.640 -7.484 8.966 1.00 44.23 H new ATOM 562 N ARG A 38 19.481 -7.486 7.279 1.00 71.12 N ATOM 563 CA ARG A 38 20.658 -8.274 6.963 1.00 72.15 C ATOM 564 C ARG A 38 21.780 -7.369 6.448 1.00 53.24 C ATOM 565 O ARG A 38 21.535 -6.224 6.073 1.00 74.14 O ATOM 566 CB ARG A 38 20.344 -9.336 5.908 1.00 13.11 C ATOM 567 CG ARG A 38 21.551 -10.246 5.667 1.00 61.12 C ATOM 568 CD ARG A 38 21.126 -11.556 5.004 1.00 23.15 C ATOM 569 NE ARG A 38 21.109 -11.397 3.533 1.00 44.20 N ATOM 570 CZ ARG A 38 20.687 -12.349 2.673 1.00 15.22 C ATOM 571 NH1 ARG A 38 20.243 -13.538 3.132 1.00 2.45 N ATOM 572 NH2 ARG A 38 20.716 -12.099 1.377 1.00 43.34 N1+ ATOM 0 H ARG A 38 19.393 -6.619 6.748 1.00 71.12 H new ATOM 0 HA ARG A 38 20.979 -8.772 7.878 1.00 72.15 H new ATOM 0 HB2 ARG A 38 19.492 -9.934 6.232 1.00 13.11 H new ATOM 0 HB3 ARG A 38 20.057 -8.852 4.974 1.00 13.11 H new ATOM 0 HG2 ARG A 38 22.277 -9.734 5.036 1.00 61.12 H new ATOM 0 HG3 ARG A 38 22.046 -10.458 6.615 1.00 61.12 H new ATOM 0 HD2 ARG A 38 21.813 -12.354 5.284 1.00 23.15 H new ATOM 0 HD3 ARG A 38 20.137 -11.848 5.358 1.00 23.15 H new ATOM 0 HE ARG A 38 21.437 -10.513 3.144 1.00 44.20 H new ATOM 0 HH11 ARG A 38 20.224 -13.723 4.135 1.00 2.45 H new ATOM 0 HH12 ARG A 38 19.926 -14.252 2.476 1.00 2.45 H new ATOM 0 HH21 ARG A 38 21.054 -11.198 1.039 1.00 43.34 H new ATOM 0 HH22 ARG A 38 20.401 -12.807 0.714 1.00 43.34 H new ATOM 585 N LYS A 39 22.986 -7.918 6.445 1.00 1.25 N ATOM 586 CA LYS A 39 24.145 -7.175 5.982 1.00 23.04 C ATOM 587 C LYS A 39 24.443 -7.555 4.531 1.00 30.04 C ATOM 588 O LYS A 39 23.721 -8.352 3.933 1.00 3.20 O ATOM 589 CB LYS A 39 25.329 -7.385 6.928 1.00 65.41 C ATOM 590 CG LYS A 39 25.337 -6.332 8.039 1.00 52.45 C ATOM 591 CD LYS A 39 26.029 -6.865 9.295 1.00 54.13 C ATOM 592 CE LYS A 39 25.032 -7.587 10.205 1.00 12.24 C ATOM 593 NZ LYS A 39 25.616 -7.798 11.548 1.00 2.13 N1+ ATOM 0 H LYS A 39 23.185 -8.869 6.756 1.00 1.25 H new ATOM 0 HA LYS A 39 23.941 -6.104 5.996 1.00 23.04 H new ATOM 0 HB2 LYS A 39 25.276 -8.381 7.367 1.00 65.41 H new ATOM 0 HB3 LYS A 39 26.262 -7.333 6.366 1.00 65.41 H new ATOM 0 HG2 LYS A 39 25.849 -5.435 7.691 1.00 52.45 H new ATOM 0 HG3 LYS A 39 24.314 -6.043 8.278 1.00 52.45 H new ATOM 0 HD2 LYS A 39 26.829 -7.549 9.011 1.00 54.13 H new ATOM 0 HD3 LYS A 39 26.491 -6.040 9.838 1.00 54.13 H new ATOM 0 HE2 LYS A 39 24.116 -7.002 10.288 1.00 12.24 H new ATOM 0 HE3 LYS A 39 24.758 -8.546 9.766 1.00 12.24 H new ATOM 0 HZ1 LYS A 39 24.927 -8.289 12.153 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 26.477 -8.375 11.465 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 25.855 -6.878 11.971 1.00 2.13 H new ATOM 606 N THR A 40 25.508 -6.967 4.005 1.00 35.13 N ATOM 607 CA THR A 40 25.910 -7.235 2.635 1.00 75.44 C ATOM 608 C THR A 40 26.983 -8.326 2.596 1.00 43.11 C ATOM 609 O THR A 40 27.804 -8.425 3.507 1.00 72.31 O ATOM 610 CB THR A 40 26.365 -5.915 2.009 1.00 74.21 C ATOM 611 OG1 THR A 40 27.411 -5.466 2.865 1.00 42.25 O ATOM 612 CG2 THR A 40 25.301 -4.820 2.115 1.00 52.34 C ATOM 0 H THR A 40 26.104 -6.306 4.503 1.00 35.13 H new ATOM 0 HA THR A 40 25.077 -7.621 2.048 1.00 75.44 H new ATOM 0 HB THR A 40 26.616 -6.078 0.961 1.00 74.21 H new ATOM 0 HG1 THR A 40 28.209 -5.271 2.331 1.00 42.25 H new ATOM 0 HG21 THR A 40 25.674 -3.904 1.656 1.00 52.34 H new ATOM 0 HG22 THR A 40 24.396 -5.141 1.600 1.00 52.34 H new ATOM 0 HG23 THR A 40 25.074 -4.633 3.165 1.00 52.34 H new ATOM 620 N GLY A 41 26.940 -9.116 1.534 1.00 61.55 N ATOM 621 CA GLY A 41 27.898 -10.196 1.366 1.00 62.50 C ATOM 622 C GLY A 41 27.748 -11.240 2.475 1.00 21.13 C ATOM 623 O GLY A 41 28.690 -11.494 3.224 1.00 23.11 O ATOM 0 H GLY A 41 26.257 -9.030 0.781 1.00 61.55 H new ATOM 0 HA2 GLY A 41 27.752 -10.669 0.395 1.00 62.50 H new ATOM 0 HA3 GLY A 41 28.911 -9.793 1.375 1.00 62.50 H new ATOM 627 N GLN A 42 26.558 -11.816 2.542 1.00 20.11 N ATOM 628 CA GLN A 42 26.272 -12.827 3.547 1.00 50.44 C ATOM 629 C GLN A 42 26.157 -14.206 2.894 1.00 23.41 C ATOM 630 O GLN A 42 26.781 -15.164 3.346 1.00 22.22 O ATOM 631 CB GLN A 42 25.002 -12.482 4.326 1.00 22.15 C ATOM 632 CG GLN A 42 25.149 -11.140 5.047 1.00 43.33 C ATOM 633 CD GLN A 42 26.458 -11.080 5.834 1.00 74.22 C ATOM 634 OE1 GLN A 42 27.407 -10.354 5.252 1.00 53.24 O flip ATOM 635 NE2 GLN A 42 26.597 -11.656 6.902 1.00 55.35 N flip ATOM 0 H GLN A 42 25.780 -11.603 1.918 1.00 20.11 H new ATOM 0 HA GLN A 42 27.099 -12.850 4.257 1.00 50.44 H new ATOM 0 HB2 GLN A 42 24.152 -12.442 3.644 1.00 22.15 H new ATOM 0 HB3 GLN A 42 24.791 -13.268 5.052 1.00 22.15 H new ATOM 0 HG2 GLN A 42 25.120 -10.328 4.320 1.00 43.33 H new ATOM 0 HG3 GLN A 42 24.307 -10.993 5.723 1.00 43.33 H new ATOM 0 HE21 GLN A 42 25.826 -12.198 7.293 1.00 55.35 H new ATOM 0 HE22 GLN A 42 27.484 -11.595 7.402 1.00 55.35 H new ATOM 644 N ALA A 43 25.353 -14.263 1.842 1.00 70.23 N ATOM 645 CA ALA A 43 25.148 -15.509 1.123 1.00 30.12 C ATOM 646 C ALA A 43 26.477 -16.259 1.023 1.00 64.14 C ATOM 647 O ALA A 43 27.309 -15.946 0.173 1.00 13.20 O ATOM 648 CB ALA A 43 24.540 -15.212 -0.249 1.00 22.12 C ATOM 0 H ALA A 43 24.836 -13.466 1.470 1.00 70.23 H new ATOM 0 HA ALA A 43 24.447 -16.151 1.657 1.00 30.12 H new ATOM 0 HB1 ALA A 43 24.386 -16.146 -0.789 1.00 22.12 H new ATOM 0 HB2 ALA A 43 23.584 -14.705 -0.121 1.00 22.12 H new ATOM 0 HB3 ALA A 43 25.217 -14.573 -0.816 1.00 22.12 H new ATOM 654 N PRO A 44 26.640 -17.263 1.927 1.00 21.12 N ATOM 655 CA PRO A 44 27.854 -18.061 1.948 1.00 3.52 C ATOM 656 C PRO A 44 27.875 -19.056 0.786 1.00 70.11 C ATOM 657 O PRO A 44 28.826 -19.823 0.639 1.00 13.44 O ATOM 658 CB PRO A 44 27.857 -18.736 3.309 1.00 43.33 C ATOM 659 CG PRO A 44 26.425 -18.661 3.816 1.00 50.30 C ATOM 660 CD PRO A 44 25.677 -17.662 2.948 1.00 14.51 C ATOM 0 HA PRO A 44 28.755 -17.462 1.814 1.00 3.52 H new ATOM 0 HB2 PRO A 44 28.190 -19.771 3.231 1.00 43.33 H new ATOM 0 HB3 PRO A 44 28.540 -18.232 3.993 1.00 43.33 H new ATOM 0 HG2 PRO A 44 25.950 -19.641 3.766 1.00 50.30 H new ATOM 0 HG3 PRO A 44 26.405 -18.350 4.860 1.00 50.30 H new ATOM 0 HD2 PRO A 44 24.790 -18.112 2.501 1.00 14.51 H new ATOM 0 HD3 PRO A 44 25.340 -16.805 3.531 1.00 14.51 H new ATOM 668 N GLY A 45 26.817 -19.012 -0.009 1.00 63.41 N ATOM 669 CA GLY A 45 26.703 -19.902 -1.152 1.00 62.30 C ATOM 670 C GLY A 45 27.174 -19.210 -2.433 1.00 51.31 C ATOM 671 O GLY A 45 27.556 -19.873 -3.396 1.00 1.41 O ATOM 0 H GLY A 45 26.031 -18.374 0.115 1.00 63.41 H new ATOM 0 HA2 GLY A 45 27.297 -20.800 -0.980 1.00 62.30 H new ATOM 0 HA3 GLY A 45 25.667 -20.222 -1.267 1.00 62.30 H new ATOM 675 N TYR A 46 27.132 -17.887 -2.403 1.00 31.42 N ATOM 676 CA TYR A 46 27.550 -17.098 -3.549 1.00 33.33 C ATOM 677 C TYR A 46 28.340 -15.865 -3.108 1.00 21.45 C ATOM 678 O TYR A 46 27.799 -14.980 -2.446 1.00 53.01 O ATOM 679 CB TYR A 46 26.262 -16.644 -4.241 1.00 11.41 C ATOM 680 CG TYR A 46 26.492 -15.919 -5.569 1.00 3.21 C ATOM 681 CD1 TYR A 46 27.520 -16.313 -6.401 1.00 70.24 C ATOM 682 CD2 TYR A 46 25.671 -14.870 -5.933 1.00 42.12 C ATOM 683 CE1 TYR A 46 27.735 -15.630 -7.651 1.00 41.12 C ATOM 684 CE2 TYR A 46 25.888 -14.188 -7.182 1.00 4.30 C ATOM 685 CZ TYR A 46 26.908 -14.602 -7.980 1.00 64.21 C ATOM 686 OH TYR A 46 27.112 -13.957 -9.160 1.00 73.20 O ATOM 0 H TYR A 46 26.815 -17.341 -1.602 1.00 31.42 H new ATOM 0 HA TYR A 46 28.193 -17.685 -4.205 1.00 33.33 H new ATOM 0 HB2 TYR A 46 25.631 -17.515 -4.419 1.00 11.41 H new ATOM 0 HB3 TYR A 46 25.713 -15.984 -3.569 1.00 11.41 H new ATOM 0 HD1 TYR A 46 28.163 -17.133 -6.115 1.00 70.24 H new ATOM 0 HD2 TYR A 46 24.867 -14.562 -5.281 1.00 42.12 H new ATOM 0 HE1 TYR A 46 28.535 -15.928 -8.312 1.00 41.12 H new ATOM 0 HE2 TYR A 46 25.254 -13.365 -7.479 1.00 4.30 H new ATOM 0 HH TYR A 46 26.258 -13.613 -9.496 1.00 73.20 H new ATOM 696 N SER A 47 29.608 -15.844 -3.493 1.00 61.13 N ATOM 697 CA SER A 47 30.478 -14.733 -3.145 1.00 50.02 C ATOM 698 C SER A 47 30.394 -13.646 -4.219 1.00 61.25 C ATOM 699 O SER A 47 30.641 -13.911 -5.395 1.00 74.42 O ATOM 700 CB SER A 47 31.924 -15.201 -2.974 1.00 64.01 C ATOM 701 OG SER A 47 32.095 -15.993 -1.803 1.00 62.20 O ATOM 0 H SER A 47 30.054 -16.579 -4.043 1.00 61.13 H new ATOM 0 HA SER A 47 30.143 -14.320 -2.194 1.00 50.02 H new ATOM 0 HB2 SER A 47 32.224 -15.778 -3.849 1.00 64.01 H new ATOM 0 HB3 SER A 47 32.582 -14.333 -2.924 1.00 64.01 H new ATOM 0 HG SER A 47 33.031 -16.273 -1.731 1.00 62.20 H new ATOM 707 N TYR A 48 30.045 -12.448 -3.776 1.00 23.43 N ATOM 708 CA TYR A 48 29.925 -11.320 -4.685 1.00 51.03 C ATOM 709 C TYR A 48 31.285 -10.659 -4.921 1.00 50.11 C ATOM 710 O TYR A 48 32.317 -11.193 -4.514 1.00 44.52 O ATOM 711 CB TYR A 48 28.999 -10.319 -3.993 1.00 20.35 C ATOM 712 CG TYR A 48 27.863 -10.967 -3.199 1.00 25.13 C ATOM 713 CD1 TYR A 48 27.403 -12.220 -3.550 1.00 3.33 C ATOM 714 CD2 TYR A 48 27.298 -10.298 -2.132 1.00 40.21 C ATOM 715 CE1 TYR A 48 26.336 -12.831 -2.802 1.00 31.53 C ATOM 716 CE2 TYR A 48 26.229 -10.909 -1.384 1.00 74.50 C ATOM 717 CZ TYR A 48 25.801 -12.145 -1.756 1.00 31.14 C ATOM 718 OH TYR A 48 24.791 -12.721 -1.050 1.00 23.04 O ATOM 0 H TYR A 48 29.841 -12.233 -2.800 1.00 23.43 H new ATOM 0 HA TYR A 48 29.542 -11.645 -5.652 1.00 51.03 H new ATOM 0 HB2 TYR A 48 29.590 -9.698 -3.320 1.00 20.35 H new ATOM 0 HB3 TYR A 48 28.571 -9.656 -4.745 1.00 20.35 H new ATOM 0 HD1 TYR A 48 27.844 -12.742 -4.386 1.00 3.33 H new ATOM 0 HD2 TYR A 48 27.657 -9.317 -1.858 1.00 40.21 H new ATOM 0 HE1 TYR A 48 25.968 -13.812 -3.065 1.00 31.53 H new ATOM 0 HE2 TYR A 48 25.778 -10.397 -0.547 1.00 74.50 H new ATOM 0 HH TYR A 48 24.508 -12.117 -0.332 1.00 23.04 H new ATOM 728 N THR A 49 31.243 -9.509 -5.576 1.00 5.20 N ATOM 729 CA THR A 49 32.458 -8.770 -5.870 1.00 43.03 C ATOM 730 C THR A 49 33.013 -8.126 -4.598 1.00 11.41 C ATOM 731 O THR A 49 32.340 -8.097 -3.568 1.00 40.24 O ATOM 732 CB THR A 49 32.142 -7.760 -6.975 1.00 0.23 C ATOM 733 OG1 THR A 49 30.842 -7.279 -6.644 1.00 65.43 O ATOM 734 CG2 THR A 49 31.957 -8.424 -8.341 1.00 63.33 C ATOM 0 H THR A 49 30.386 -9.070 -5.912 1.00 5.20 H new ATOM 0 HA THR A 49 33.245 -9.432 -6.231 1.00 43.03 H new ATOM 0 HB THR A 49 32.945 -7.025 -7.035 1.00 0.23 H new ATOM 0 HG1 THR A 49 30.559 -6.617 -7.309 1.00 65.43 H new ATOM 0 HG21 THR A 49 31.735 -7.663 -9.089 1.00 63.33 H new ATOM 0 HG22 THR A 49 32.872 -8.948 -8.618 1.00 63.33 H new ATOM 0 HG23 THR A 49 31.132 -9.135 -8.291 1.00 63.33 H new ATOM 742 N ALA A 50 34.234 -7.624 -4.711 1.00 63.11 N ATOM 743 CA ALA A 50 34.887 -6.982 -3.583 1.00 4.40 C ATOM 744 C ALA A 50 34.302 -5.581 -3.391 1.00 24.52 C ATOM 745 O ALA A 50 34.410 -5.002 -2.312 1.00 65.45 O ATOM 746 CB ALA A 50 36.398 -6.957 -3.814 1.00 22.44 C ATOM 0 H ALA A 50 34.788 -7.649 -5.567 1.00 63.11 H new ATOM 0 HA ALA A 50 34.708 -7.543 -2.666 1.00 4.40 H new ATOM 0 HB1 ALA A 50 36.888 -6.475 -2.968 1.00 22.44 H new ATOM 0 HB2 ALA A 50 36.768 -7.977 -3.914 1.00 22.44 H new ATOM 0 HB3 ALA A 50 36.618 -6.400 -4.725 1.00 22.44 H new ATOM 752 N ALA A 51 33.697 -5.077 -4.456 1.00 22.13 N ATOM 753 CA ALA A 51 33.096 -3.754 -4.419 1.00 24.51 C ATOM 754 C ALA A 51 31.846 -3.791 -3.537 1.00 32.14 C ATOM 755 O ALA A 51 31.480 -2.785 -2.931 1.00 53.32 O ATOM 756 CB ALA A 51 32.789 -3.293 -5.846 1.00 73.13 C ATOM 0 H ALA A 51 33.610 -5.560 -5.350 1.00 22.13 H new ATOM 0 HA ALA A 51 33.786 -3.031 -3.984 1.00 24.51 H new ATOM 0 HB1 ALA A 51 32.338 -2.301 -5.819 1.00 73.13 H new ATOM 0 HB2 ALA A 51 33.713 -3.256 -6.423 1.00 73.13 H new ATOM 0 HB3 ALA A 51 32.097 -3.993 -6.314 1.00 73.13 H new ATOM 762 N ASN A 52 31.228 -4.962 -3.491 1.00 72.12 N ATOM 763 CA ASN A 52 30.027 -5.143 -2.693 1.00 72.03 C ATOM 764 C ASN A 52 30.406 -5.748 -1.341 1.00 44.33 C ATOM 765 O ASN A 52 30.060 -5.204 -0.294 1.00 21.23 O ATOM 766 CB ASN A 52 29.047 -6.097 -3.380 1.00 71.24 C ATOM 767 CG ASN A 52 27.644 -5.965 -2.786 1.00 1.21 C ATOM 768 OD1 ASN A 52 26.726 -5.452 -3.403 1.00 10.34 O ATOM 769 ND2 ASN A 52 27.531 -6.452 -1.553 1.00 51.41 N ATOM 0 H ASN A 52 31.536 -5.795 -3.993 1.00 72.12 H new ATOM 0 HA ASN A 52 29.554 -4.169 -2.569 1.00 72.03 H new ATOM 0 HB2 ASN A 52 29.015 -5.883 -4.448 1.00 71.24 H new ATOM 0 HB3 ASN A 52 29.397 -7.124 -3.271 1.00 71.24 H new ATOM 0 HD21 ASN A 52 26.635 -6.408 -1.068 1.00 51.41 H new ATOM 0 HD22 ASN A 52 28.340 -6.869 -1.093 1.00 51.41 H new ATOM 776 N LYS A 53 31.113 -6.867 -1.406 1.00 31.33 N ATOM 777 CA LYS A 53 31.543 -7.553 -0.199 1.00 23.25 C ATOM 778 C LYS A 53 32.072 -6.526 0.804 1.00 40.10 C ATOM 779 O LYS A 53 31.666 -6.520 1.965 1.00 44.44 O ATOM 780 CB LYS A 53 32.548 -8.655 -0.538 1.00 41.40 C ATOM 781 CG LYS A 53 32.574 -9.727 0.553 1.00 75.03 C ATOM 782 CD LYS A 53 33.949 -10.394 0.635 1.00 74.12 C ATOM 783 CE LYS A 53 33.875 -11.712 1.408 1.00 55.52 C ATOM 784 NZ LYS A 53 32.984 -12.669 0.714 1.00 13.54 N1+ ATOM 0 H LYS A 53 31.399 -7.316 -2.276 1.00 31.33 H new ATOM 0 HA LYS A 53 30.700 -8.057 0.274 1.00 23.25 H new ATOM 0 HB2 LYS A 53 32.286 -9.110 -1.493 1.00 41.40 H new ATOM 0 HB3 LYS A 53 33.542 -8.223 -0.652 1.00 41.40 H new ATOM 0 HG2 LYS A 53 32.326 -9.278 1.515 1.00 75.03 H new ATOM 0 HG3 LYS A 53 31.813 -10.479 0.347 1.00 75.03 H new ATOM 0 HD2 LYS A 53 34.328 -10.579 -0.370 1.00 74.12 H new ATOM 0 HD3 LYS A 53 34.655 -9.722 1.123 1.00 74.12 H new ATOM 0 HE2 LYS A 53 34.873 -12.140 1.506 1.00 55.52 H new ATOM 0 HE3 LYS A 53 33.506 -11.529 2.417 1.00 55.52 H new ATOM 0 HZ1 LYS A 53 33.262 -13.641 0.957 1.00 13.54 H new ATOM 0 HZ2 LYS A 53 32.001 -12.506 1.011 1.00 13.54 H new ATOM 0 HZ3 LYS A 53 33.062 -12.533 -0.314 1.00 13.54 H new ATOM 797 N ASN A 54 32.970 -5.681 0.319 1.00 32.11 N ATOM 798 CA ASN A 54 33.559 -4.653 1.160 1.00 62.53 C ATOM 799 C ASN A 54 32.444 -3.843 1.825 1.00 21.52 C ATOM 800 O ASN A 54 32.545 -3.489 2.999 1.00 54.24 O ATOM 801 CB ASN A 54 34.413 -3.689 0.333 1.00 4.13 C ATOM 802 CG ASN A 54 35.820 -4.251 0.118 1.00 23.22 C ATOM 803 OD1 ASN A 54 36.440 -4.602 1.241 1.00 64.31 O flip ATOM 804 ND2 ASN A 54 36.312 -4.357 -0.994 1.00 31.23 N flip ATOM 0 H ASN A 54 33.304 -5.687 -0.645 1.00 32.11 H new ATOM 0 HA ASN A 54 34.186 -5.144 1.905 1.00 62.53 H new ATOM 0 HB2 ASN A 54 33.937 -3.511 -0.631 1.00 4.13 H new ATOM 0 HB3 ASN A 54 34.475 -2.726 0.840 1.00 4.13 H new ATOM 0 HD21 ASN A 54 35.781 -4.069 -1.816 1.00 31.23 H new ATOM 0 HD22 ASN A 54 37.254 -4.734 -1.101 1.00 31.23 H new ATOM 811 N LYS A 55 31.407 -3.573 1.046 1.00 3.10 N ATOM 812 CA LYS A 55 30.274 -2.813 1.546 1.00 52.01 C ATOM 813 C LYS A 55 29.905 -3.313 2.943 1.00 71.13 C ATOM 814 O LYS A 55 29.952 -4.513 3.210 1.00 34.34 O ATOM 815 CB LYS A 55 29.114 -2.862 0.548 1.00 61.43 C ATOM 816 CG LYS A 55 28.192 -1.653 0.721 1.00 35.11 C ATOM 817 CD LYS A 55 28.758 -0.425 0.005 1.00 31.33 C ATOM 818 CE LYS A 55 27.875 0.802 0.241 1.00 31.13 C ATOM 819 NZ LYS A 55 28.091 1.343 1.601 1.00 40.52 N1+ ATOM 0 H LYS A 55 31.328 -3.867 0.072 1.00 3.10 H new ATOM 0 HA LYS A 55 30.536 -1.759 1.644 1.00 52.01 H new ATOM 0 HB2 LYS A 55 29.505 -2.883 -0.469 1.00 61.43 H new ATOM 0 HB3 LYS A 55 28.545 -3.781 0.690 1.00 61.43 H new ATOM 0 HG2 LYS A 55 27.203 -1.886 0.325 1.00 35.11 H new ATOM 0 HG3 LYS A 55 28.068 -1.435 1.782 1.00 35.11 H new ATOM 0 HD2 LYS A 55 29.768 -0.225 0.362 1.00 31.33 H new ATOM 0 HD3 LYS A 55 28.832 -0.625 -1.064 1.00 31.33 H new ATOM 0 HE2 LYS A 55 28.101 1.568 -0.501 1.00 31.13 H new ATOM 0 HE3 LYS A 55 26.827 0.533 0.113 1.00 31.13 H new ATOM 0 HZ1 LYS A 55 27.535 2.214 1.721 1.00 40.52 H new ATOM 0 HZ2 LYS A 55 27.790 0.640 2.306 1.00 40.52 H new ATOM 0 HZ3 LYS A 55 29.100 1.556 1.734 1.00 40.52 H new ATOM 832 N GLY A 56 29.547 -2.368 3.801 1.00 14.34 N ATOM 833 CA GLY A 56 29.171 -2.698 5.164 1.00 1.53 C ATOM 834 C GLY A 56 28.022 -1.810 5.646 1.00 71.44 C ATOM 835 O GLY A 56 28.247 -0.816 6.335 1.00 74.10 O ATOM 0 H GLY A 56 29.510 -1.374 3.577 1.00 14.34 H new ATOM 0 HA2 GLY A 56 28.874 -3.745 5.220 1.00 1.53 H new ATOM 0 HA3 GLY A 56 30.031 -2.575 5.822 1.00 1.53 H new ATOM 839 N ILE A 57 26.815 -2.201 5.265 1.00 74.01 N ATOM 840 CA ILE A 57 25.630 -1.452 5.649 1.00 43.32 C ATOM 841 C ILE A 57 24.416 -2.384 5.634 1.00 62.24 C ATOM 842 O ILE A 57 24.424 -3.408 4.952 1.00 3.42 O ATOM 843 CB ILE A 57 25.467 -0.215 4.764 1.00 40.53 C ATOM 844 CG1 ILE A 57 25.258 -0.612 3.301 1.00 32.54 C ATOM 845 CG2 ILE A 57 26.649 0.741 4.935 1.00 3.00 C ATOM 846 CD1 ILE A 57 23.790 -0.946 3.028 1.00 32.33 C ATOM 0 H ILE A 57 26.632 -3.026 4.695 1.00 74.01 H new ATOM 0 HA ILE A 57 25.731 -1.075 6.667 1.00 43.32 H new ATOM 0 HB ILE A 57 24.572 0.319 5.084 1.00 40.53 H new ATOM 0 HG12 ILE A 57 25.576 0.202 2.650 1.00 32.54 H new ATOM 0 HG13 ILE A 57 25.881 -1.474 3.062 1.00 32.54 H new ATOM 0 HG21 ILE A 57 26.508 1.612 4.295 1.00 3.00 H new ATOM 0 HG22 ILE A 57 26.710 1.061 5.975 1.00 3.00 H new ATOM 0 HG23 ILE A 57 27.572 0.232 4.657 1.00 3.00 H new ATOM 0 HD11 ILE A 57 23.669 -1.225 1.981 1.00 32.33 H new ATOM 0 HD12 ILE A 57 23.482 -1.777 3.663 1.00 32.33 H new ATOM 0 HD13 ILE A 57 23.172 -0.075 3.245 1.00 32.33 H new ATOM 858 N ILE A 58 23.403 -1.995 6.393 1.00 34.44 N ATOM 859 CA ILE A 58 22.185 -2.784 6.476 1.00 71.13 C ATOM 860 C ILE A 58 21.263 -2.413 5.312 1.00 61.15 C ATOM 861 O ILE A 58 21.130 -1.239 4.969 1.00 1.32 O ATOM 862 CB ILE A 58 21.534 -2.622 7.850 1.00 10.41 C ATOM 863 CG1 ILE A 58 22.465 -3.114 8.960 1.00 53.34 C ATOM 864 CG2 ILE A 58 20.170 -3.315 7.897 1.00 13.54 C ATOM 865 CD1 ILE A 58 22.289 -4.616 9.196 1.00 42.52 C ATOM 0 H ILE A 58 23.400 -1.144 6.956 1.00 34.44 H new ATOM 0 HA ILE A 58 22.412 -3.846 6.379 1.00 71.13 H new ATOM 0 HB ILE A 58 21.361 -1.560 8.022 1.00 10.41 H new ATOM 0 HG12 ILE A 58 23.500 -2.903 8.692 1.00 53.34 H new ATOM 0 HG13 ILE A 58 22.257 -2.570 9.882 1.00 53.34 H new ATOM 0 HG21 ILE A 58 19.729 -3.184 8.885 1.00 13.54 H new ATOM 0 HG22 ILE A 58 19.513 -2.877 7.146 1.00 13.54 H new ATOM 0 HG23 ILE A 58 20.295 -4.378 7.693 1.00 13.54 H new ATOM 0 HD11 ILE A 58 22.962 -4.941 9.990 1.00 42.52 H new ATOM 0 HD12 ILE A 58 21.259 -4.820 9.487 1.00 42.52 H new ATOM 0 HD13 ILE A 58 22.521 -5.158 8.279 1.00 42.52 H new ATOM 877 N TRP A 59 20.651 -3.436 4.735 1.00 12.43 N ATOM 878 CA TRP A 59 19.746 -3.233 3.616 1.00 31.13 C ATOM 879 C TRP A 59 18.406 -2.749 4.174 1.00 62.44 C ATOM 880 O TRP A 59 18.166 -2.826 5.378 1.00 4.32 O ATOM 881 CB TRP A 59 19.618 -4.506 2.776 1.00 3.14 C ATOM 882 CG TRP A 59 20.705 -4.659 1.710 1.00 60.14 C ATOM 883 CD1 TRP A 59 21.549 -5.685 1.534 1.00 33.12 C ATOM 884 CD2 TRP A 59 21.033 -3.710 0.674 1.00 22.32 C ATOM 885 NE1 TRP A 59 22.393 -5.467 0.464 1.00 43.14 N ATOM 886 CE2 TRP A 59 22.070 -4.228 -0.075 1.00 22.33 C ATOM 887 CE3 TRP A 59 20.472 -2.454 0.378 1.00 1.23 C ATOM 888 CZ2 TRP A 59 22.635 -3.559 -1.167 1.00 75.24 C ATOM 889 CZ3 TRP A 59 21.049 -1.799 -0.716 1.00 14.52 C ATOM 890 CH2 TRP A 59 22.093 -2.308 -1.479 1.00 62.15 C ATOM 0 H TRP A 59 20.764 -4.409 5.021 1.00 12.43 H new ATOM 0 HA TRP A 59 20.136 -2.474 2.938 1.00 31.13 H new ATOM 0 HB2 TRP A 59 19.649 -5.371 3.439 1.00 3.14 H new ATOM 0 HB3 TRP A 59 18.643 -4.512 2.289 1.00 3.14 H new ATOM 0 HD1 TRP A 59 21.567 -6.571 2.152 1.00 33.12 H new ATOM 0 HE1 TRP A 59 23.120 -6.099 0.130 1.00 43.14 H new ATOM 0 HE3 TRP A 59 19.660 -2.029 0.950 1.00 1.23 H new ATOM 0 HZ2 TRP A 59 23.446 -3.986 -1.738 1.00 75.24 H new ATOM 0 HZ3 TRP A 59 20.655 -0.830 -0.986 1.00 14.52 H new ATOM 0 HH2 TRP A 59 22.484 -1.740 -2.310 1.00 62.15 H new ATOM 901 N GLY A 60 17.567 -2.260 3.272 1.00 60.12 N ATOM 902 CA GLY A 60 16.258 -1.762 3.659 1.00 61.54 C ATOM 903 C GLY A 60 15.641 -0.917 2.543 1.00 2.44 C ATOM 904 O GLY A 60 16.352 -0.424 1.667 1.00 64.10 O ATOM 0 H GLY A 60 17.769 -2.198 2.274 1.00 60.12 H new ATOM 0 HA2 GLY A 60 15.600 -2.600 3.892 1.00 61.54 H new ATOM 0 HA3 GLY A 60 16.346 -1.164 4.566 1.00 61.54 H new ATOM 908 N GLU A 61 14.326 -0.775 2.611 1.00 1.02 N ATOM 909 CA GLU A 61 13.605 0.002 1.616 1.00 43.51 C ATOM 910 C GLU A 61 14.204 1.406 1.504 1.00 54.24 C ATOM 911 O GLU A 61 14.207 1.999 0.427 1.00 64.13 O ATOM 912 CB GLU A 61 12.112 0.068 1.948 1.00 4.31 C ATOM 913 CG GLU A 61 11.893 0.451 3.412 1.00 42.02 C ATOM 914 CD GLU A 61 10.487 1.015 3.626 1.00 40.13 C ATOM 915 OE1 GLU A 61 10.294 1.893 4.481 1.00 42.11 O ATOM 916 OE2 GLU A 61 9.575 0.511 2.865 1.00 53.22 O1- ATOM 0 H GLU A 61 13.741 -1.184 3.339 1.00 1.02 H new ATOM 0 HA GLU A 61 13.707 -0.494 0.651 1.00 43.51 H new ATOM 0 HB2 GLU A 61 11.624 0.797 1.301 1.00 4.31 H new ATOM 0 HB3 GLU A 61 11.648 -0.898 1.748 1.00 4.31 H new ATOM 0 HG2 GLU A 61 12.038 -0.423 4.046 1.00 42.02 H new ATOM 0 HG3 GLU A 61 12.635 1.190 3.713 1.00 42.02 H new ATOM 924 N ASP A 62 14.696 1.897 2.632 1.00 41.03 N ATOM 925 CA ASP A 62 15.296 3.219 2.674 1.00 11.04 C ATOM 926 C ASP A 62 16.598 3.210 1.870 1.00 64.11 C ATOM 927 O ASP A 62 16.898 4.167 1.157 1.00 4.51 O ATOM 928 CB ASP A 62 15.630 3.627 4.110 1.00 52.14 C ATOM 929 CG ASP A 62 14.440 4.118 4.937 1.00 62.42 C ATOM 930 OD1 ASP A 62 13.328 3.578 4.840 1.00 35.04 O ATOM 931 OD2 ASP A 62 14.692 5.114 5.718 1.00 62.51 O1- ATOM 0 H ASP A 62 14.691 1.402 3.524 1.00 41.03 H new ATOM 0 HA ASP A 62 14.581 3.927 2.255 1.00 11.04 H new ATOM 0 HB2 ASP A 62 16.079 2.774 4.619 1.00 52.14 H new ATOM 0 HB3 ASP A 62 16.383 4.414 4.082 1.00 52.14 H new ATOM 937 N THR A 63 17.335 2.119 2.013 1.00 73.22 N ATOM 938 CA THR A 63 18.598 1.972 1.308 1.00 3.24 C ATOM 939 C THR A 63 18.356 1.516 -0.132 1.00 11.02 C ATOM 940 O THR A 63 19.222 1.673 -0.991 1.00 1.20 O ATOM 941 CB THR A 63 19.477 1.010 2.110 1.00 40.22 C ATOM 942 OG1 THR A 63 18.595 -0.046 2.474 1.00 4.21 O ATOM 943 CG2 THR A 63 19.922 1.602 3.449 1.00 44.33 C ATOM 0 H THR A 63 17.083 1.328 2.606 1.00 73.22 H new ATOM 0 HA THR A 63 19.120 2.925 1.230 1.00 3.24 H new ATOM 0 HB THR A 63 20.355 0.744 1.521 1.00 40.22 H new ATOM 0 HG1 THR A 63 17.940 -0.186 1.759 1.00 4.21 H new ATOM 0 HG21 THR A 63 20.543 0.879 3.978 1.00 44.33 H new ATOM 0 HG22 THR A 63 20.495 2.512 3.272 1.00 44.33 H new ATOM 0 HG23 THR A 63 19.045 1.837 4.052 1.00 44.33 H new ATOM 951 N LEU A 64 17.172 0.961 -0.352 1.00 10.45 N ATOM 952 CA LEU A 64 16.805 0.481 -1.673 1.00 43.40 C ATOM 953 C LEU A 64 16.368 1.666 -2.538 1.00 72.41 C ATOM 954 O LEU A 64 16.445 1.604 -3.764 1.00 42.34 O ATOM 955 CB LEU A 64 15.753 -0.624 -1.569 1.00 75.52 C ATOM 956 CG LEU A 64 16.249 -1.977 -1.052 1.00 12.32 C ATOM 957 CD1 LEU A 64 15.086 -2.952 -0.864 1.00 31.02 C ATOM 958 CD2 LEU A 64 17.335 -2.548 -1.965 1.00 20.25 C ATOM 0 H LEU A 64 16.455 0.833 0.363 1.00 10.45 H new ATOM 0 HA LEU A 64 17.665 0.026 -2.165 1.00 43.40 H new ATOM 0 HB2 LEU A 64 14.955 -0.277 -0.913 1.00 75.52 H new ATOM 0 HB3 LEU A 64 15.313 -0.773 -2.555 1.00 75.52 H new ATOM 0 HG LEU A 64 16.701 -1.823 -0.072 1.00 12.32 H new ATOM 0 HD11 LEU A 64 15.466 -3.905 -0.496 1.00 31.02 H new ATOM 0 HD12 LEU A 64 14.379 -2.541 -0.143 1.00 31.02 H new ATOM 0 HD13 LEU A 64 14.583 -3.106 -1.818 1.00 31.02 H new ATOM 0 HD21 LEU A 64 17.670 -3.509 -1.575 1.00 20.25 H new ATOM 0 HD22 LEU A 64 16.932 -2.684 -2.969 1.00 20.25 H new ATOM 0 HD23 LEU A 64 18.178 -1.858 -2.003 1.00 20.25 H new ATOM 970 N MET A 65 15.920 2.715 -1.865 1.00 14.04 N ATOM 971 CA MET A 65 15.472 3.912 -2.557 1.00 64.51 C ATOM 972 C MET A 65 16.620 4.558 -3.335 1.00 44.11 C ATOM 973 O MET A 65 16.557 4.676 -4.559 1.00 35.15 O ATOM 974 CB MET A 65 14.917 4.912 -1.541 1.00 75.32 C ATOM 975 CG MET A 65 13.840 5.794 -2.171 1.00 12.54 C ATOM 976 SD MET A 65 12.237 5.031 -1.981 1.00 72.52 S ATOM 977 CE MET A 65 11.908 4.573 -3.674 1.00 71.41 C ATOM 0 H MET A 65 15.857 2.761 -0.848 1.00 14.04 H new ATOM 0 HA MET A 65 14.693 3.629 -3.265 1.00 64.51 H new ATOM 0 HB2 MET A 65 14.500 4.376 -0.689 1.00 75.32 H new ATOM 0 HB3 MET A 65 15.726 5.536 -1.160 1.00 75.32 H new ATOM 0 HG2 MET A 65 13.842 6.777 -1.700 1.00 12.54 H new ATOM 0 HG3 MET A 65 14.056 5.947 -3.228 1.00 12.54 H new ATOM 0 HE1 MET A 65 10.938 4.080 -3.736 1.00 71.41 H new ATOM 0 HE2 MET A 65 11.902 5.467 -4.298 1.00 71.41 H new ATOM 0 HE3 MET A 65 12.684 3.892 -4.024 1.00 71.41 H new ATOM 987 N GLU A 66 17.642 4.961 -2.595 1.00 20.23 N ATOM 988 CA GLU A 66 18.802 5.592 -3.200 1.00 4.35 C ATOM 989 C GLU A 66 19.532 4.601 -4.109 1.00 12.41 C ATOM 990 O GLU A 66 20.040 4.979 -5.164 1.00 31.41 O ATOM 991 CB GLU A 66 19.743 6.150 -2.130 1.00 2.12 C ATOM 992 CG GLU A 66 20.896 6.929 -2.767 1.00 74.21 C ATOM 993 CD GLU A 66 20.757 8.429 -2.499 1.00 11.01 C ATOM 994 OE1 GLU A 66 21.189 8.913 -1.442 1.00 62.03 O ATOM 995 OE2 GLU A 66 20.179 9.099 -3.438 1.00 61.41 O1- ATOM 0 H GLU A 66 17.691 4.863 -1.581 1.00 20.23 H new ATOM 0 HA GLU A 66 18.460 6.429 -3.809 1.00 4.35 H new ATOM 0 HB2 GLU A 66 19.187 6.802 -1.456 1.00 2.12 H new ATOM 0 HB3 GLU A 66 20.140 5.333 -1.528 1.00 2.12 H new ATOM 0 HG2 GLU A 66 21.845 6.571 -2.369 1.00 74.21 H new ATOM 0 HG3 GLU A 66 20.912 6.748 -3.842 1.00 74.21 H new ATOM 1003 N TYR A 67 19.561 3.352 -3.667 1.00 2.54 N ATOM 1004 CA TYR A 67 20.220 2.304 -4.428 1.00 70.14 C ATOM 1005 C TYR A 67 19.584 2.148 -5.810 1.00 15.44 C ATOM 1006 O TYR A 67 20.225 2.416 -6.826 1.00 20.34 O ATOM 1007 CB TYR A 67 20.011 1.013 -3.635 1.00 71.01 C ATOM 1008 CG TYR A 67 20.502 -0.245 -4.354 1.00 33.43 C ATOM 1009 CD1 TYR A 67 21.854 -0.453 -4.536 1.00 73.53 C ATOM 1010 CD2 TYR A 67 19.593 -1.172 -4.821 1.00 25.24 C ATOM 1011 CE1 TYR A 67 22.317 -1.637 -5.213 1.00 50.13 C ATOM 1012 CE2 TYR A 67 20.055 -2.356 -5.498 1.00 12.44 C ATOM 1013 CZ TYR A 67 21.393 -2.530 -5.661 1.00 70.00 C ATOM 1014 OH TYR A 67 21.829 -3.649 -6.300 1.00 1.15 O ATOM 0 H TYR A 67 19.139 3.042 -2.792 1.00 2.54 H new ATOM 0 HA TYR A 67 21.274 2.540 -4.573 1.00 70.14 H new ATOM 0 HB2 TYR A 67 20.528 1.098 -2.679 1.00 71.01 H new ATOM 0 HB3 TYR A 67 18.949 0.902 -3.414 1.00 71.01 H new ATOM 0 HD1 TYR A 67 22.566 0.273 -4.170 1.00 73.53 H new ATOM 0 HD2 TYR A 67 18.535 -1.010 -4.679 1.00 25.24 H new ATOM 0 HE1 TYR A 67 23.372 -1.812 -5.362 1.00 50.13 H new ATOM 0 HE2 TYR A 67 19.354 -3.089 -5.868 1.00 12.44 H new ATOM 0 HH TYR A 67 21.060 -4.196 -6.564 1.00 1.15 H new ATOM 1024 N LEU A 68 18.332 1.714 -5.806 1.00 3.24 N ATOM 1025 CA LEU A 68 17.603 1.520 -7.047 1.00 35.25 C ATOM 1026 C LEU A 68 17.678 2.798 -7.884 1.00 53.11 C ATOM 1027 O LEU A 68 17.626 2.744 -9.112 1.00 15.43 O ATOM 1028 CB LEU A 68 16.174 1.055 -6.762 1.00 63.11 C ATOM 1029 CG LEU A 68 16.003 -0.431 -6.439 1.00 65.23 C ATOM 1030 CD1 LEU A 68 14.566 -0.738 -6.014 1.00 12.31 C ATOM 1031 CD2 LEU A 68 16.452 -1.302 -7.613 1.00 71.44 C ATOM 0 H LEU A 68 17.804 1.491 -4.962 1.00 3.24 H new ATOM 0 HA LEU A 68 18.061 0.726 -7.637 1.00 35.25 H new ATOM 0 HB2 LEU A 68 15.784 1.635 -5.926 1.00 63.11 H new ATOM 0 HB3 LEU A 68 15.557 1.291 -7.629 1.00 63.11 H new ATOM 0 HG LEU A 68 16.647 -0.673 -5.594 1.00 65.23 H new ATOM 0 HD11 LEU A 68 14.472 -1.801 -5.790 1.00 12.31 H new ATOM 0 HD12 LEU A 68 14.317 -0.157 -5.126 1.00 12.31 H new ATOM 0 HD13 LEU A 68 13.884 -0.476 -6.822 1.00 12.31 H new ATOM 0 HD21 LEU A 68 16.320 -2.353 -7.357 1.00 71.44 H new ATOM 0 HD22 LEU A 68 15.853 -1.064 -8.492 1.00 71.44 H new ATOM 0 HD23 LEU A 68 17.503 -1.110 -7.827 1.00 71.44 H new ATOM 1043 N GLU A 69 17.800 3.918 -7.186 1.00 15.25 N ATOM 1044 CA GLU A 69 17.882 5.208 -7.850 1.00 72.12 C ATOM 1045 C GLU A 69 19.219 5.344 -8.581 1.00 22.31 C ATOM 1046 O GLU A 69 19.278 5.896 -9.679 1.00 70.33 O ATOM 1047 CB GLU A 69 17.684 6.351 -6.853 1.00 51.12 C ATOM 1048 CG GLU A 69 18.170 7.679 -7.437 1.00 33.34 C ATOM 1049 CD GLU A 69 17.661 8.861 -6.609 1.00 54.43 C ATOM 1050 OE1 GLU A 69 16.801 8.681 -5.734 1.00 2.44 O ATOM 1051 OE2 GLU A 69 18.192 10.000 -6.902 1.00 3.24 O1- ATOM 0 H GLU A 69 17.844 3.959 -6.168 1.00 15.25 H new ATOM 0 HA GLU A 69 17.080 5.268 -8.586 1.00 72.12 H new ATOM 0 HB2 GLU A 69 16.629 6.430 -6.590 1.00 51.12 H new ATOM 0 HB3 GLU A 69 18.227 6.134 -5.933 1.00 51.12 H new ATOM 0 HG2 GLU A 69 19.260 7.692 -7.464 1.00 33.34 H new ATOM 0 HG3 GLU A 69 17.825 7.776 -8.466 1.00 33.34 H new ATOM 1059 N ASN A 70 20.261 4.831 -7.943 1.00 1.34 N ATOM 1060 CA ASN A 70 21.594 4.888 -8.519 1.00 62.35 C ATOM 1061 C ASN A 70 22.496 3.880 -7.805 1.00 55.43 C ATOM 1062 O ASN A 70 23.272 4.249 -6.926 1.00 45.53 O ATOM 1063 CB ASN A 70 22.209 6.278 -8.345 1.00 44.13 C ATOM 1064 CG ASN A 70 21.704 7.240 -9.423 1.00 34.34 C ATOM 1065 OD1 ASN A 70 21.736 6.956 -10.609 1.00 35.54 O ATOM 1066 ND2 ASN A 70 21.238 8.390 -8.946 1.00 0.54 N ATOM 0 H ASN A 70 20.209 4.374 -7.033 1.00 1.34 H new ATOM 0 HA ASN A 70 21.513 4.659 -9.582 1.00 62.35 H new ATOM 0 HB2 ASN A 70 21.960 6.669 -7.358 1.00 44.13 H new ATOM 0 HB3 ASN A 70 23.296 6.208 -8.395 1.00 44.13 H new ATOM 0 HD21 ASN A 70 20.878 9.099 -9.585 1.00 0.54 H new ATOM 0 HD22 ASN A 70 21.240 8.564 -7.941 1.00 0.54 H new ATOM 1073 N PRO A 71 22.361 2.592 -8.223 1.00 54.04 N ATOM 1074 CA PRO A 71 23.155 1.527 -7.634 1.00 32.44 C ATOM 1075 C PRO A 71 24.598 1.575 -8.139 1.00 41.31 C ATOM 1076 O PRO A 71 25.431 0.769 -7.728 1.00 74.34 O ATOM 1077 CB PRO A 71 22.435 0.243 -8.014 1.00 13.22 C ATOM 1078 CG PRO A 71 21.534 0.602 -9.184 1.00 74.42 C ATOM 1079 CD PRO A 71 21.452 2.118 -9.262 1.00 62.30 C ATOM 0 HA PRO A 71 23.239 1.615 -6.551 1.00 32.44 H new ATOM 0 HB2 PRO A 71 23.145 -0.536 -8.292 1.00 13.22 H new ATOM 0 HB3 PRO A 71 21.853 -0.141 -7.176 1.00 13.22 H new ATOM 0 HG2 PRO A 71 21.933 0.193 -10.112 1.00 74.42 H new ATOM 0 HG3 PRO A 71 20.542 0.173 -9.047 1.00 74.42 H new ATOM 0 HD2 PRO A 71 21.751 2.481 -10.245 1.00 62.30 H new ATOM 0 HD3 PRO A 71 20.435 2.469 -9.089 1.00 62.30 H new ATOM 1087 N LYS A 72 24.850 2.529 -9.023 1.00 40.44 N ATOM 1088 CA LYS A 72 26.178 2.694 -9.589 1.00 22.32 C ATOM 1089 C LYS A 72 27.050 3.485 -8.611 1.00 63.53 C ATOM 1090 O LYS A 72 28.274 3.498 -8.736 1.00 45.42 O ATOM 1091 CB LYS A 72 26.094 3.319 -10.982 1.00 54.30 C ATOM 1092 CG LYS A 72 25.850 4.827 -10.893 1.00 41.01 C ATOM 1093 CD LYS A 72 27.032 5.609 -11.469 1.00 72.43 C ATOM 1094 CE LYS A 72 28.118 5.818 -10.411 1.00 51.53 C ATOM 1095 NZ LYS A 72 28.835 7.091 -10.650 1.00 51.14 N1+ ATOM 0 H LYS A 72 24.157 3.196 -9.361 1.00 40.44 H new ATOM 0 HA LYS A 72 26.655 1.724 -9.729 1.00 22.32 H new ATOM 0 HB2 LYS A 72 27.019 3.128 -11.526 1.00 54.30 H new ATOM 0 HB3 LYS A 72 25.289 2.850 -11.547 1.00 54.30 H new ATOM 0 HG2 LYS A 72 24.940 5.084 -11.435 1.00 41.01 H new ATOM 0 HG3 LYS A 72 25.693 5.113 -9.853 1.00 41.01 H new ATOM 0 HD2 LYS A 72 27.448 5.071 -12.321 1.00 72.43 H new ATOM 0 HD3 LYS A 72 26.688 6.575 -11.839 1.00 72.43 H new ATOM 0 HE2 LYS A 72 27.670 5.827 -9.418 1.00 51.53 H new ATOM 0 HE3 LYS A 72 28.823 4.987 -10.435 1.00 51.53 H new ATOM 0 HZ1 LYS A 72 29.568 7.218 -9.924 1.00 51.14 H new ATOM 0 HZ2 LYS A 72 29.279 7.068 -11.590 1.00 51.14 H new ATOM 0 HZ3 LYS A 72 28.162 7.882 -10.604 1.00 51.14 H new ATOM 1108 N LYS A 73 26.386 4.125 -7.661 1.00 4.23 N ATOM 1109 CA LYS A 73 27.085 4.916 -6.662 1.00 34.14 C ATOM 1110 C LYS A 73 27.117 4.148 -5.339 1.00 2.10 C ATOM 1111 O LYS A 73 28.134 4.140 -4.647 1.00 35.44 O ATOM 1112 CB LYS A 73 26.460 6.308 -6.549 1.00 1.20 C ATOM 1113 CG LYS A 73 25.378 6.337 -5.468 1.00 32.13 C ATOM 1114 CD LYS A 73 24.635 7.675 -5.470 1.00 55.50 C ATOM 1115 CE LYS A 73 25.566 8.820 -5.071 1.00 5.11 C ATOM 1116 NZ LYS A 73 26.411 9.227 -6.216 1.00 51.34 N1+ ATOM 0 H LYS A 73 25.371 4.112 -7.561 1.00 4.23 H new ATOM 0 HA LYS A 73 28.120 5.079 -6.961 1.00 34.14 H new ATOM 0 HB2 LYS A 73 27.233 7.040 -6.314 1.00 1.20 H new ATOM 0 HB3 LYS A 73 26.029 6.596 -7.508 1.00 1.20 H new ATOM 0 HG2 LYS A 73 24.671 5.524 -5.635 1.00 32.13 H new ATOM 0 HG3 LYS A 73 25.831 6.170 -4.491 1.00 32.13 H new ATOM 0 HD2 LYS A 73 24.224 7.865 -6.461 1.00 55.50 H new ATOM 0 HD3 LYS A 73 23.793 7.629 -4.779 1.00 55.50 H new ATOM 0 HE2 LYS A 73 24.978 9.670 -4.725 1.00 5.11 H new ATOM 0 HE3 LYS A 73 26.197 8.509 -4.238 1.00 5.11 H new ATOM 0 HZ1 LYS A 73 27.406 9.007 -6.009 1.00 51.34 H new ATOM 0 HZ2 LYS A 73 26.113 8.711 -7.068 1.00 51.34 H new ATOM 0 HZ3 LYS A 73 26.309 10.249 -6.377 1.00 51.34 H new ATOM 1129 N TYR A 74 25.993 3.520 -5.029 1.00 21.02 N ATOM 1130 CA TYR A 74 25.881 2.749 -3.802 1.00 11.41 C ATOM 1131 C TYR A 74 26.848 1.564 -3.808 1.00 42.23 C ATOM 1132 O TYR A 74 27.427 1.226 -2.776 1.00 73.43 O ATOM 1133 CB TYR A 74 24.445 2.221 -3.766 1.00 34.24 C ATOM 1134 CG TYR A 74 23.936 1.899 -2.360 1.00 13.51 C ATOM 1135 CD1 TYR A 74 24.599 0.973 -1.579 1.00 55.13 C ATOM 1136 CD2 TYR A 74 22.813 2.536 -1.872 1.00 0.20 C ATOM 1137 CE1 TYR A 74 24.119 0.672 -0.256 1.00 30.14 C ATOM 1138 CE2 TYR A 74 22.333 2.234 -0.548 1.00 65.02 C ATOM 1139 CZ TYR A 74 23.009 1.316 0.195 1.00 60.53 C ATOM 1140 OH TYR A 74 22.556 1.031 1.445 1.00 63.13 O ATOM 0 H TYR A 74 25.152 3.529 -5.606 1.00 21.02 H new ATOM 0 HA TYR A 74 26.121 3.367 -2.937 1.00 11.41 H new ATOM 0 HB2 TYR A 74 23.785 2.961 -4.220 1.00 34.24 H new ATOM 0 HB3 TYR A 74 24.384 1.321 -4.378 1.00 34.24 H new ATOM 0 HD1 TYR A 74 25.478 0.475 -1.961 1.00 55.13 H new ATOM 0 HD2 TYR A 74 22.295 3.260 -2.483 1.00 0.20 H new ATOM 0 HE1 TYR A 74 24.629 -0.049 0.365 1.00 30.14 H new ATOM 0 HE2 TYR A 74 21.456 2.725 -0.154 1.00 65.02 H new ATOM 0 HH TYR A 74 22.411 1.865 1.938 1.00 63.13 H new ATOM 1150 N ILE A 75 26.994 0.966 -4.980 1.00 35.22 N ATOM 1151 CA ILE A 75 27.881 -0.174 -5.134 1.00 2.31 C ATOM 1152 C ILE A 75 28.748 0.023 -6.380 1.00 30.40 C ATOM 1153 O ILE A 75 28.403 -0.452 -7.460 1.00 3.45 O ATOM 1154 CB ILE A 75 27.082 -1.479 -5.141 1.00 64.10 C ATOM 1155 CG1 ILE A 75 26.071 -1.508 -3.994 1.00 71.04 C ATOM 1156 CG2 ILE A 75 28.013 -2.693 -5.116 1.00 52.55 C ATOM 1157 CD1 ILE A 75 26.737 -1.939 -2.686 1.00 1.01 C ATOM 0 H ILE A 75 26.512 1.250 -5.833 1.00 35.22 H new ATOM 0 HA ILE A 75 28.558 -0.246 -4.283 1.00 2.31 H new ATOM 0 HB ILE A 75 26.516 -1.528 -6.071 1.00 64.10 H new ATOM 0 HG12 ILE A 75 25.626 -0.520 -3.871 1.00 71.04 H new ATOM 0 HG13 ILE A 75 25.260 -2.195 -4.237 1.00 71.04 H new ATOM 0 HG21 ILE A 75 27.419 -3.607 -5.122 1.00 52.55 H new ATOM 0 HG22 ILE A 75 28.659 -2.674 -5.994 1.00 52.55 H new ATOM 0 HG23 ILE A 75 28.625 -2.664 -4.215 1.00 52.55 H new ATOM 0 HD11 ILE A 75 25.996 -1.951 -1.887 1.00 1.01 H new ATOM 0 HD12 ILE A 75 27.159 -2.937 -2.804 1.00 1.01 H new ATOM 0 HD13 ILE A 75 27.531 -1.237 -2.433 1.00 1.01 H new ATOM 1169 N PRO A 76 29.884 0.744 -6.181 1.00 75.43 N ATOM 1170 CA PRO A 76 30.801 1.010 -7.276 1.00 60.41 C ATOM 1171 C PRO A 76 31.613 -0.239 -7.627 1.00 71.21 C ATOM 1172 O PRO A 76 32.517 -0.624 -6.886 1.00 23.43 O ATOM 1173 CB PRO A 76 31.665 2.164 -6.793 1.00 52.32 C ATOM 1174 CG PRO A 76 31.513 2.195 -5.281 1.00 32.44 C ATOM 1175 CD PRO A 76 30.323 1.322 -4.915 1.00 2.31 C ATOM 0 HA PRO A 76 30.288 1.274 -8.201 1.00 60.41 H new ATOM 0 HB2 PRO A 76 32.707 2.017 -7.078 1.00 52.32 H new ATOM 0 HB3 PRO A 76 31.343 3.106 -7.237 1.00 52.32 H new ATOM 0 HG2 PRO A 76 32.419 1.828 -4.799 1.00 32.44 H new ATOM 0 HG3 PRO A 76 31.358 3.217 -4.934 1.00 32.44 H new ATOM 0 HD2 PRO A 76 30.605 0.547 -4.202 1.00 2.31 H new ATOM 0 HD3 PRO A 76 29.530 1.908 -4.451 1.00 2.31 H new ATOM 1183 N GLY A 77 31.262 -0.836 -8.756 1.00 41.14 N ATOM 1184 CA GLY A 77 31.947 -2.033 -9.214 1.00 61.20 C ATOM 1185 C GLY A 77 31.093 -3.280 -8.973 1.00 2.42 C ATOM 1186 O GLY A 77 31.606 -4.318 -8.561 1.00 31.14 O ATOM 0 H GLY A 77 30.512 -0.513 -9.368 1.00 41.14 H new ATOM 0 HA2 GLY A 77 32.173 -1.943 -10.276 1.00 61.20 H new ATOM 0 HA3 GLY A 77 32.899 -2.134 -8.693 1.00 61.20 H new ATOM 1190 N THR A 78 29.804 -3.135 -9.242 1.00 45.32 N ATOM 1191 CA THR A 78 28.873 -4.236 -9.061 1.00 52.32 C ATOM 1192 C THR A 78 28.660 -4.976 -10.382 1.00 15.00 C ATOM 1193 O THR A 78 28.933 -4.436 -11.452 1.00 74.51 O ATOM 1194 CB THR A 78 27.582 -3.671 -8.465 1.00 44.04 C ATOM 1195 OG1 THR A 78 26.747 -4.813 -8.297 1.00 51.42 O ATOM 1196 CG2 THR A 78 26.816 -2.792 -9.455 1.00 71.52 C ATOM 0 H THR A 78 29.382 -2.272 -9.584 1.00 45.32 H new ATOM 0 HA THR A 78 29.269 -4.979 -8.369 1.00 52.32 H new ATOM 0 HB THR A 78 27.818 -3.092 -7.572 1.00 44.04 H new ATOM 0 HG1 THR A 78 27.286 -5.569 -7.983 1.00 51.42 H new ATOM 0 HG21 THR A 78 25.909 -2.417 -8.982 1.00 71.52 H new ATOM 0 HG22 THR A 78 27.442 -1.952 -9.756 1.00 71.52 H new ATOM 0 HG23 THR A 78 26.551 -3.380 -10.334 1.00 71.52 H new ATOM 1204 N LYS A 79 28.172 -6.204 -10.264 1.00 35.35 N ATOM 1205 CA LYS A 79 27.918 -7.024 -11.435 1.00 23.13 C ATOM 1206 C LYS A 79 26.471 -6.823 -11.889 1.00 32.14 C ATOM 1207 O LYS A 79 26.119 -7.159 -13.019 1.00 61.34 O ATOM 1208 CB LYS A 79 28.278 -8.484 -11.155 1.00 4.04 C ATOM 1209 CG LYS A 79 29.565 -8.584 -10.334 1.00 33.42 C ATOM 1210 CD LYS A 79 30.143 -10.000 -10.389 1.00 24.30 C ATOM 1211 CE LYS A 79 29.414 -10.927 -9.415 1.00 10.21 C ATOM 1212 NZ LYS A 79 29.315 -10.300 -8.079 1.00 45.34 N1+ ATOM 0 H LYS A 79 27.946 -6.649 -9.375 1.00 35.35 H new ATOM 0 HA LYS A 79 28.557 -6.716 -12.262 1.00 23.13 H new ATOM 0 HB2 LYS A 79 27.462 -8.967 -10.618 1.00 4.04 H new ATOM 0 HB3 LYS A 79 28.401 -9.019 -12.097 1.00 4.04 H new ATOM 0 HG2 LYS A 79 30.299 -7.873 -10.714 1.00 33.42 H new ATOM 0 HG3 LYS A 79 29.362 -8.310 -9.299 1.00 33.42 H new ATOM 0 HD2 LYS A 79 30.058 -10.392 -11.402 1.00 24.30 H new ATOM 0 HD3 LYS A 79 31.205 -9.973 -10.145 1.00 24.30 H new ATOM 0 HE2 LYS A 79 28.416 -11.150 -9.793 1.00 10.21 H new ATOM 0 HE3 LYS A 79 29.946 -11.876 -9.340 1.00 10.21 H new ATOM 0 HZ1 LYS A 79 28.398 -10.539 -7.650 1.00 45.34 H new ATOM 0 HZ2 LYS A 79 30.083 -10.652 -7.473 1.00 45.34 H new ATOM 0 HZ3 LYS A 79 29.394 -9.267 -8.173 1.00 45.34 H new ATOM 1225 N MET A 80 25.671 -6.277 -10.985 1.00 75.05 N ATOM 1226 CA MET A 80 24.270 -6.028 -11.279 1.00 44.10 C ATOM 1227 C MET A 80 24.117 -4.938 -12.341 1.00 15.21 C ATOM 1228 O MET A 80 24.255 -3.752 -12.042 1.00 11.50 O ATOM 1229 CB MET A 80 23.549 -5.600 -9.999 1.00 41.23 C ATOM 1230 CG MET A 80 22.077 -5.288 -10.278 1.00 12.33 C ATOM 1231 SD MET A 80 21.160 -5.255 -8.747 1.00 55.50 S ATOM 1232 CE MET A 80 20.264 -3.725 -8.955 1.00 4.13 C ATOM 0 H MET A 80 25.966 -6.000 -10.049 1.00 75.05 H new ATOM 0 HA MET A 80 23.830 -6.948 -11.665 1.00 44.10 H new ATOM 0 HB2 MET A 80 23.622 -6.392 -9.254 1.00 41.23 H new ATOM 0 HB3 MET A 80 24.038 -4.721 -9.578 1.00 41.23 H new ATOM 0 HG2 MET A 80 21.990 -4.327 -10.784 1.00 12.33 H new ATOM 0 HG3 MET A 80 21.658 -6.040 -10.947 1.00 12.33 H new ATOM 0 HE1 MET A 80 19.636 -3.549 -8.081 1.00 4.13 H new ATOM 0 HE2 MET A 80 20.970 -2.902 -9.066 1.00 4.13 H new ATOM 0 HE3 MET A 80 19.638 -3.788 -9.845 1.00 4.13 H new ATOM 1242 N ILE A 81 23.837 -5.377 -13.558 1.00 73.13 N ATOM 1243 CA ILE A 81 23.664 -4.453 -14.667 1.00 63.41 C ATOM 1244 C ILE A 81 22.310 -3.754 -14.537 1.00 63.43 C ATOM 1245 O ILE A 81 21.295 -4.269 -15.004 1.00 21.32 O ATOM 1246 CB ILE A 81 23.858 -5.175 -16.001 1.00 65.11 C ATOM 1247 CG1 ILE A 81 25.343 -5.421 -16.281 1.00 3.45 C ATOM 1248 CG2 ILE A 81 23.179 -4.413 -17.141 1.00 43.10 C ATOM 1249 CD1 ILE A 81 25.802 -6.749 -15.675 1.00 64.30 C ATOM 0 H ILE A 81 23.725 -6.361 -13.802 1.00 73.13 H new ATOM 0 HA ILE A 81 24.428 -3.676 -14.638 1.00 63.41 H new ATOM 0 HB ILE A 81 23.377 -6.151 -15.934 1.00 65.11 H new ATOM 0 HG12 ILE A 81 25.518 -5.428 -17.357 1.00 3.45 H new ATOM 0 HG13 ILE A 81 25.935 -4.604 -15.868 1.00 3.45 H new ATOM 0 HG21 ILE A 81 23.332 -4.948 -18.078 1.00 43.10 H new ATOM 0 HG22 ILE A 81 22.111 -4.333 -16.939 1.00 43.10 H new ATOM 0 HG23 ILE A 81 23.610 -3.415 -17.218 1.00 43.10 H new ATOM 0 HD11 ILE A 81 26.860 -6.900 -15.888 1.00 64.30 H new ATOM 0 HD12 ILE A 81 25.648 -6.729 -14.596 1.00 64.30 H new ATOM 0 HD13 ILE A 81 25.225 -7.566 -16.109 1.00 64.30 H new ATOM 1261 N PHE A 82 22.337 -2.593 -13.899 1.00 51.30 N ATOM 1262 CA PHE A 82 21.123 -1.819 -13.702 1.00 2.04 C ATOM 1263 C PHE A 82 21.316 -0.371 -14.159 1.00 11.53 C ATOM 1264 O PHE A 82 22.288 0.279 -13.778 1.00 33.35 O ATOM 1265 CB PHE A 82 20.823 -1.833 -12.202 1.00 11.41 C ATOM 1266 CG PHE A 82 19.352 -1.587 -11.860 1.00 52.20 C ATOM 1267 CD1 PHE A 82 18.439 -2.579 -12.032 1.00 64.53 C ATOM 1268 CD2 PHE A 82 18.958 -0.376 -11.382 1.00 24.33 C ATOM 1269 CE1 PHE A 82 17.073 -2.351 -11.715 1.00 62.32 C ATOM 1270 CE2 PHE A 82 17.593 -0.148 -11.064 1.00 21.13 C ATOM 1271 CZ PHE A 82 16.680 -1.141 -11.238 1.00 52.30 C ATOM 0 H PHE A 82 23.180 -2.170 -13.512 1.00 51.30 H new ATOM 0 HA PHE A 82 20.308 -2.249 -14.284 1.00 2.04 H new ATOM 0 HB2 PHE A 82 21.125 -2.796 -11.790 1.00 11.41 H new ATOM 0 HB3 PHE A 82 21.431 -1.072 -11.713 1.00 11.41 H new ATOM 0 HD1 PHE A 82 18.752 -3.541 -12.410 1.00 64.53 H new ATOM 0 HD2 PHE A 82 19.683 0.412 -11.244 1.00 24.33 H new ATOM 0 HE1 PHE A 82 16.347 -3.139 -11.853 1.00 62.32 H new ATOM 0 HE2 PHE A 82 17.280 0.813 -10.684 1.00 21.13 H new ATOM 0 HZ PHE A 82 15.642 -0.968 -10.997 1.00 52.30 H new ATOM 1281 N VAL A 83 20.375 0.090 -14.969 1.00 11.14 N ATOM 1282 CA VAL A 83 20.428 1.449 -15.481 1.00 50.45 C ATOM 1283 C VAL A 83 19.997 2.421 -14.381 1.00 64.23 C ATOM 1284 O VAL A 83 20.563 3.506 -14.248 1.00 22.41 O ATOM 1285 CB VAL A 83 19.579 1.565 -16.748 1.00 72.20 C ATOM 1286 CG1 VAL A 83 20.031 0.555 -17.805 1.00 12.30 C ATOM 1287 CG2 VAL A 83 18.092 1.396 -16.428 1.00 22.20 C ATOM 0 H VAL A 83 19.571 -0.453 -15.284 1.00 11.14 H new ATOM 0 HA VAL A 83 21.447 1.710 -15.765 1.00 50.45 H new ATOM 0 HB VAL A 83 19.722 2.565 -17.158 1.00 72.20 H new ATOM 0 HG11 VAL A 83 19.411 0.658 -18.696 1.00 12.30 H new ATOM 0 HG12 VAL A 83 21.073 0.742 -18.064 1.00 12.30 H new ATOM 0 HG13 VAL A 83 19.931 -0.456 -17.409 1.00 12.30 H new ATOM 0 HG21 VAL A 83 17.510 1.483 -17.346 1.00 22.20 H new ATOM 0 HG22 VAL A 83 17.925 0.415 -15.984 1.00 22.20 H new ATOM 0 HG23 VAL A 83 17.781 2.170 -15.726 1.00 22.20 H new ATOM 1297 N GLY A 84 18.999 1.999 -13.620 1.00 42.12 N ATOM 1298 CA GLY A 84 18.484 2.819 -12.537 1.00 22.32 C ATOM 1299 C GLY A 84 17.063 3.298 -12.838 1.00 4.23 C ATOM 1300 O GLY A 84 16.635 3.296 -13.990 1.00 44.21 O ATOM 0 H GLY A 84 18.533 1.099 -13.732 1.00 42.12 H new ATOM 0 HA2 GLY A 84 18.490 2.247 -11.609 1.00 22.32 H new ATOM 0 HA3 GLY A 84 19.137 3.679 -12.385 1.00 22.32 H new ATOM 1304 N ILE A 85 16.371 3.698 -11.781 1.00 0.21 N ATOM 1305 CA ILE A 85 15.007 4.180 -11.918 1.00 22.34 C ATOM 1306 C ILE A 85 14.961 5.671 -11.580 1.00 73.43 C ATOM 1307 O ILE A 85 15.609 6.117 -10.634 1.00 55.21 O ATOM 1308 CB ILE A 85 14.051 3.329 -11.079 1.00 13.11 C ATOM 1309 CG1 ILE A 85 14.536 1.880 -10.999 1.00 31.10 C ATOM 1310 CG2 ILE A 85 12.621 3.425 -11.612 1.00 13.43 C ATOM 1311 CD1 ILE A 85 13.626 1.047 -10.093 1.00 71.13 C ATOM 0 H ILE A 85 16.729 3.698 -10.826 1.00 0.21 H new ATOM 0 HA ILE A 85 14.668 4.076 -12.949 1.00 22.34 H new ATOM 0 HB ILE A 85 14.043 3.724 -10.063 1.00 13.11 H new ATOM 0 HG12 ILE A 85 14.558 1.444 -11.998 1.00 31.10 H new ATOM 0 HG13 ILE A 85 15.557 1.855 -10.618 1.00 31.10 H new ATOM 0 HG21 ILE A 85 11.962 2.811 -10.998 1.00 13.43 H new ATOM 0 HG22 ILE A 85 12.288 4.462 -11.576 1.00 13.43 H new ATOM 0 HG23 ILE A 85 12.592 3.070 -12.642 1.00 13.43 H new ATOM 0 HD11 ILE A 85 13.993 0.021 -10.053 1.00 71.13 H new ATOM 0 HD12 ILE A 85 13.625 1.471 -9.089 1.00 71.13 H new ATOM 0 HD13 ILE A 85 12.611 1.054 -10.491 1.00 71.13 H new ATOM 1323 N LYS A 86 14.187 6.401 -12.369 1.00 70.13 N ATOM 1324 CA LYS A 86 14.046 7.833 -12.164 1.00 52.41 C ATOM 1325 C LYS A 86 12.736 8.112 -11.425 1.00 72.24 C ATOM 1326 O LYS A 86 12.640 9.079 -10.670 1.00 12.14 O ATOM 1327 CB LYS A 86 14.173 8.578 -13.495 1.00 14.22 C ATOM 1328 CG LYS A 86 12.835 8.609 -14.236 1.00 24.43 C ATOM 1329 CD LYS A 86 12.913 9.508 -15.471 1.00 71.23 C ATOM 1330 CE LYS A 86 12.382 10.909 -15.164 1.00 51.35 C ATOM 1331 NZ LYS A 86 13.488 11.802 -14.746 1.00 32.04 N1+ ATOM 0 H LYS A 86 13.650 6.028 -13.152 1.00 70.13 H new ATOM 0 HA LYS A 86 14.852 8.210 -11.535 1.00 52.41 H new ATOM 0 HB2 LYS A 86 14.516 9.597 -13.314 1.00 14.22 H new ATOM 0 HB3 LYS A 86 14.926 8.093 -14.117 1.00 14.22 H new ATOM 0 HG2 LYS A 86 12.557 7.598 -14.535 1.00 24.43 H new ATOM 0 HG3 LYS A 86 12.053 8.970 -13.568 1.00 24.43 H new ATOM 0 HD2 LYS A 86 13.946 9.574 -15.813 1.00 71.23 H new ATOM 0 HD3 LYS A 86 12.336 9.067 -16.284 1.00 71.23 H new ATOM 0 HE2 LYS A 86 11.889 11.319 -16.045 1.00 51.35 H new ATOM 0 HE3 LYS A 86 11.632 10.855 -14.375 1.00 51.35 H new ATOM 0 HZ1 LYS A 86 13.280 12.196 -13.806 1.00 32.04 H new ATOM 0 HZ2 LYS A 86 14.375 11.261 -14.706 1.00 32.04 H new ATOM 0 HZ3 LYS A 86 13.586 12.577 -15.432 1.00 32.04 H new ATOM 1344 N LYS A 87 11.761 7.248 -11.668 1.00 51.43 N ATOM 1345 CA LYS A 87 10.462 7.391 -11.034 1.00 71.11 C ATOM 1346 C LYS A 87 10.581 7.036 -9.550 1.00 30.25 C ATOM 1347 O LYS A 87 11.208 6.039 -9.196 1.00 52.34 O ATOM 1348 CB LYS A 87 9.409 6.569 -11.780 1.00 51.42 C ATOM 1349 CG LYS A 87 8.840 7.352 -12.965 1.00 42.12 C ATOM 1350 CD LYS A 87 7.661 8.224 -12.530 1.00 3.45 C ATOM 1351 CE LYS A 87 6.394 7.384 -12.354 1.00 15.15 C ATOM 1352 NZ LYS A 87 5.346 8.166 -11.660 1.00 2.13 N1+ ATOM 0 H LYS A 87 11.845 6.447 -12.295 1.00 51.43 H new ATOM 0 HA LYS A 87 10.124 8.426 -11.088 1.00 71.11 H new ATOM 0 HB2 LYS A 87 9.853 5.638 -12.134 1.00 51.42 H new ATOM 0 HB3 LYS A 87 8.603 6.299 -11.098 1.00 51.42 H new ATOM 0 HG2 LYS A 87 9.619 7.978 -13.400 1.00 42.12 H new ATOM 0 HG3 LYS A 87 8.517 6.659 -13.742 1.00 42.12 H new ATOM 0 HD2 LYS A 87 7.902 8.726 -11.593 1.00 3.45 H new ATOM 0 HD3 LYS A 87 7.486 9.002 -13.273 1.00 3.45 H new ATOM 0 HE2 LYS A 87 6.028 7.058 -13.328 1.00 15.15 H new ATOM 0 HE3 LYS A 87 6.623 6.485 -11.783 1.00 15.15 H new ATOM 0 HZ1 LYS A 87 4.493 7.581 -11.549 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 5.692 8.455 -10.723 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 5.115 9.011 -12.220 1.00 2.13 H new ATOM 1365 N LYS A 88 9.969 7.871 -8.724 1.00 73.34 N ATOM 1366 CA LYS A 88 9.998 7.659 -7.287 1.00 10.55 C ATOM 1367 C LYS A 88 8.962 6.597 -6.911 1.00 15.32 C ATOM 1368 O LYS A 88 9.224 5.740 -6.070 1.00 51.24 O ATOM 1369 CB LYS A 88 9.817 8.985 -6.545 1.00 73.43 C ATOM 1370 CG LYS A 88 8.335 9.286 -6.316 1.00 35.34 C ATOM 1371 CD LYS A 88 8.150 10.655 -5.657 1.00 1.31 C ATOM 1372 CE LYS A 88 8.207 10.542 -4.132 1.00 44.14 C ATOM 1373 NZ LYS A 88 7.934 11.854 -3.504 1.00 21.31 N1+ ATOM 0 H LYS A 88 9.450 8.696 -9.023 1.00 73.34 H new ATOM 0 HA LYS A 88 10.972 7.278 -6.978 1.00 10.55 H new ATOM 0 HB2 LYS A 88 10.336 8.944 -5.587 1.00 73.43 H new ATOM 0 HB3 LYS A 88 10.271 9.792 -7.119 1.00 73.43 H new ATOM 0 HG2 LYS A 88 7.804 9.261 -7.267 1.00 35.34 H new ATOM 0 HG3 LYS A 88 7.896 8.513 -5.686 1.00 35.34 H new ATOM 0 HD2 LYS A 88 8.926 11.337 -6.004 1.00 1.31 H new ATOM 0 HD3 LYS A 88 7.193 11.081 -5.958 1.00 1.31 H new ATOM 0 HE2 LYS A 88 7.477 9.809 -3.788 1.00 44.14 H new ATOM 0 HE3 LYS A 88 9.189 10.182 -3.825 1.00 44.14 H new ATOM 0 HZ1 LYS A 88 7.977 11.759 -2.469 1.00 21.31 H new ATOM 0 HZ2 LYS A 88 8.646 12.544 -3.818 1.00 21.31 H new ATOM 0 HZ3 LYS A 88 6.987 12.182 -3.783 1.00 21.31 H new ATOM 1386 N GLU A 89 7.808 6.690 -7.554 1.00 4.13 N ATOM 1387 CA GLU A 89 6.731 5.749 -7.297 1.00 30.31 C ATOM 1388 C GLU A 89 7.099 4.363 -7.833 1.00 34.03 C ATOM 1389 O GLU A 89 6.866 3.355 -7.167 1.00 20.11 O ATOM 1390 CB GLU A 89 5.416 6.241 -7.908 1.00 13.22 C ATOM 1391 CG GLU A 89 4.217 5.551 -7.253 1.00 72.24 C ATOM 1392 CD GLU A 89 2.903 6.193 -7.704 1.00 43.14 C ATOM 1393 OE1 GLU A 89 2.155 5.588 -8.486 1.00 43.15 O ATOM 1394 OE2 GLU A 89 2.669 7.361 -7.210 1.00 73.44 O1- ATOM 0 H GLU A 89 7.595 7.402 -8.252 1.00 4.13 H new ATOM 0 HA GLU A 89 6.588 5.675 -6.219 1.00 30.31 H new ATOM 0 HB2 GLU A 89 5.333 7.320 -7.781 1.00 13.22 H new ATOM 0 HB3 GLU A 89 5.413 6.045 -8.980 1.00 13.22 H new ATOM 0 HG2 GLU A 89 4.216 4.492 -7.511 1.00 72.24 H new ATOM 0 HG3 GLU A 89 4.304 5.615 -6.168 1.00 72.24 H new ATOM 1402 N GLU A 90 7.667 4.358 -9.029 1.00 5.05 N ATOM 1403 CA GLU A 90 8.069 3.113 -9.662 1.00 64.24 C ATOM 1404 C GLU A 90 8.897 2.268 -8.690 1.00 42.35 C ATOM 1405 O GLU A 90 8.966 1.048 -8.827 1.00 45.31 O ATOM 1406 CB GLU A 90 8.845 3.378 -10.954 1.00 25.43 C ATOM 1407 CG GLU A 90 8.647 2.240 -11.956 1.00 31.10 C ATOM 1408 CD GLU A 90 9.273 2.586 -13.308 1.00 25.43 C ATOM 1409 OE1 GLU A 90 9.194 1.783 -14.251 1.00 53.11 O ATOM 1410 OE2 GLU A 90 9.858 3.734 -13.361 1.00 24.22 O1- ATOM 0 H GLU A 90 7.859 5.196 -9.577 1.00 5.05 H new ATOM 0 HA GLU A 90 7.170 2.556 -9.925 1.00 64.24 H new ATOM 0 HB2 GLU A 90 8.513 4.318 -11.395 1.00 25.43 H new ATOM 0 HB3 GLU A 90 9.906 3.489 -10.729 1.00 25.43 H new ATOM 0 HG2 GLU A 90 9.095 1.326 -11.567 1.00 31.10 H new ATOM 0 HG3 GLU A 90 7.582 2.044 -12.084 1.00 31.10 H new ATOM 1418 N ARG A 91 9.504 2.951 -7.730 1.00 31.35 N ATOM 1419 CA ARG A 91 10.323 2.278 -6.736 1.00 20.15 C ATOM 1420 C ARG A 91 9.515 2.033 -5.460 1.00 3.32 C ATOM 1421 O ARG A 91 9.602 0.961 -4.863 1.00 1.04 O ATOM 1422 CB ARG A 91 11.564 3.105 -6.395 1.00 14.11 C ATOM 1423 CG ARG A 91 12.465 3.272 -7.620 1.00 42.25 C ATOM 1424 CD ARG A 91 13.892 3.638 -7.205 1.00 41.32 C ATOM 1425 NE ARG A 91 13.894 4.936 -6.493 1.00 5.33 N ATOM 1426 CZ ARG A 91 13.957 6.136 -7.107 1.00 1.11 C ATOM 1427 NH1 ARG A 91 14.025 6.214 -8.454 1.00 41.21 N ATOM 1428 NH2 ARG A 91 13.953 7.232 -6.372 1.00 32.24 N1+ ATOM 0 H ARG A 91 9.445 3.963 -7.620 1.00 31.35 H new ATOM 0 HA ARG A 91 10.640 1.324 -7.158 1.00 20.15 H new ATOM 0 HB2 ARG A 91 11.262 4.085 -6.025 1.00 14.11 H new ATOM 0 HB3 ARG A 91 12.120 2.619 -5.593 1.00 14.11 H new ATOM 0 HG2 ARG A 91 12.476 2.347 -8.197 1.00 42.25 H new ATOM 0 HG3 ARG A 91 12.061 4.048 -8.270 1.00 42.25 H new ATOM 0 HD2 ARG A 91 14.303 2.860 -6.562 1.00 41.32 H new ATOM 0 HD3 ARG A 91 14.532 3.695 -8.085 1.00 41.32 H new ATOM 0 HE ARG A 91 13.845 4.922 -5.474 1.00 5.33 H new ATOM 0 HH11 ARG A 91 14.029 5.362 -9.015 1.00 41.21 H new ATOM 0 HH12 ARG A 91 14.072 7.125 -8.910 1.00 41.21 H new ATOM 0 HH21 ARG A 91 13.903 7.164 -5.355 1.00 32.24 H new ATOM 0 HH22 ARG A 91 14.000 8.147 -6.820 1.00 32.24 H new ATOM 1441 N ALA A 92 8.748 3.044 -5.080 1.00 43.14 N ATOM 1442 CA ALA A 92 7.926 2.951 -3.886 1.00 61.50 C ATOM 1443 C ALA A 92 7.065 1.689 -3.961 1.00 12.24 C ATOM 1444 O ALA A 92 6.797 1.054 -2.941 1.00 11.23 O ATOM 1445 CB ALA A 92 7.085 4.222 -3.744 1.00 62.14 C ATOM 0 H ALA A 92 8.679 3.932 -5.578 1.00 43.14 H new ATOM 0 HA ALA A 92 8.551 2.872 -2.996 1.00 61.50 H new ATOM 0 HB1 ALA A 92 6.468 4.152 -2.848 1.00 62.14 H new ATOM 0 HB2 ALA A 92 7.743 5.087 -3.665 1.00 62.14 H new ATOM 0 HB3 ALA A 92 6.444 4.333 -4.618 1.00 62.14 H new ATOM 1451 N ASP A 93 6.657 1.361 -5.178 1.00 75.33 N ATOM 1452 CA ASP A 93 5.832 0.185 -5.399 1.00 73.40 C ATOM 1453 C ASP A 93 6.697 -1.070 -5.272 1.00 31.00 C ATOM 1454 O ASP A 93 6.432 -1.928 -4.431 1.00 62.34 O ATOM 1455 CB ASP A 93 5.220 0.199 -6.802 1.00 62.14 C ATOM 1456 CG ASP A 93 3.883 -0.534 -6.931 1.00 74.20 C ATOM 1457 OD1 ASP A 93 3.784 -1.737 -6.647 1.00 71.11 O ATOM 1458 OD2 ASP A 93 2.901 0.191 -7.348 1.00 64.24 O1- ATOM 0 H ASP A 93 6.882 1.889 -6.021 1.00 75.33 H new ATOM 0 HA ASP A 93 5.034 0.187 -4.657 1.00 73.40 H new ATOM 0 HB2 ASP A 93 5.081 1.235 -7.111 1.00 62.14 H new ATOM 0 HB3 ASP A 93 5.931 -0.248 -7.497 1.00 62.14 H new ATOM 1464 N LEU A 94 7.713 -1.138 -6.120 1.00 12.24 N ATOM 1465 CA LEU A 94 8.617 -2.275 -6.113 1.00 1.33 C ATOM 1466 C LEU A 94 8.961 -2.639 -4.667 1.00 21.32 C ATOM 1467 O LEU A 94 8.604 -3.718 -4.194 1.00 4.12 O ATOM 1468 CB LEU A 94 9.844 -1.988 -6.982 1.00 1.22 C ATOM 1469 CG LEU A 94 10.728 -3.192 -7.314 1.00 64.13 C ATOM 1470 CD1 LEU A 94 9.910 -4.311 -7.962 1.00 14.55 C ATOM 1471 CD2 LEU A 94 11.919 -2.777 -8.179 1.00 54.24 C ATOM 0 H LEU A 94 7.930 -0.424 -6.816 1.00 12.24 H new ATOM 0 HA LEU A 94 8.136 -3.147 -6.556 1.00 1.33 H new ATOM 0 HB2 LEU A 94 9.506 -1.542 -7.917 1.00 1.22 H new ATOM 0 HB3 LEU A 94 10.456 -1.242 -6.476 1.00 1.22 H new ATOM 0 HG LEU A 94 11.131 -3.587 -6.381 1.00 64.13 H new ATOM 0 HD11 LEU A 94 10.562 -5.155 -8.188 1.00 14.55 H new ATOM 0 HD12 LEU A 94 9.126 -4.632 -7.277 1.00 14.55 H new ATOM 0 HD13 LEU A 94 9.458 -3.945 -8.884 1.00 14.55 H new ATOM 0 HD21 LEU A 94 12.531 -3.652 -8.400 1.00 54.24 H new ATOM 0 HD22 LEU A 94 11.558 -2.342 -9.111 1.00 54.24 H new ATOM 0 HD23 LEU A 94 12.519 -2.041 -7.643 1.00 54.24 H new ATOM 1483 N ILE A 95 9.648 -1.720 -4.005 1.00 21.15 N ATOM 1484 CA ILE A 95 10.042 -1.932 -2.623 1.00 63.21 C ATOM 1485 C ILE A 95 8.888 -2.588 -1.862 1.00 63.41 C ATOM 1486 O ILE A 95 9.106 -3.487 -1.051 1.00 23.11 O ATOM 1487 CB ILE A 95 10.525 -0.622 -1.997 1.00 43.12 C ATOM 1488 CG1 ILE A 95 11.755 -0.084 -2.731 1.00 32.14 C ATOM 1489 CG2 ILE A 95 10.782 -0.791 -0.498 1.00 73.02 C ATOM 1490 CD1 ILE A 95 11.809 1.443 -2.666 1.00 73.24 C ATOM 0 H ILE A 95 9.942 -0.827 -4.400 1.00 21.15 H new ATOM 0 HA ILE A 95 10.889 -2.616 -2.569 1.00 63.21 H new ATOM 0 HB ILE A 95 9.734 0.120 -2.106 1.00 43.12 H new ATOM 0 HG12 ILE A 95 12.659 -0.502 -2.288 1.00 32.14 H new ATOM 0 HG13 ILE A 95 11.731 -0.406 -3.772 1.00 32.14 H new ATOM 0 HG21 ILE A 95 11.124 0.155 -0.079 1.00 73.02 H new ATOM 0 HG22 ILE A 95 9.860 -1.095 -0.003 1.00 73.02 H new ATOM 0 HG23 ILE A 95 11.545 -1.554 -0.343 1.00 73.02 H new ATOM 0 HD11 ILE A 95 12.693 1.799 -3.195 1.00 73.24 H new ATOM 0 HD12 ILE A 95 10.915 1.859 -3.131 1.00 73.24 H new ATOM 0 HD13 ILE A 95 11.857 1.761 -1.625 1.00 73.24 H new ATOM 1502 N ALA A 96 7.686 -2.113 -2.151 1.00 32.22 N ATOM 1503 CA ALA A 96 6.497 -2.642 -1.505 1.00 61.14 C ATOM 1504 C ALA A 96 6.448 -4.159 -1.700 1.00 33.13 C ATOM 1505 O ALA A 96 6.435 -4.914 -0.728 1.00 22.11 O ATOM 1506 CB ALA A 96 5.257 -1.942 -2.064 1.00 55.41 C ATOM 0 H ALA A 96 7.510 -1.367 -2.824 1.00 32.22 H new ATOM 0 HA ALA A 96 6.525 -2.448 -0.433 1.00 61.14 H new ATOM 0 HB1 ALA A 96 4.365 -2.339 -1.579 1.00 55.41 H new ATOM 0 HB2 ALA A 96 5.327 -0.871 -1.874 1.00 55.41 H new ATOM 0 HB3 ALA A 96 5.194 -2.116 -3.138 1.00 55.41 H new ATOM 1512 N TYR A 97 6.424 -4.561 -2.962 1.00 60.33 N ATOM 1513 CA TYR A 97 6.376 -5.974 -3.297 1.00 13.11 C ATOM 1514 C TYR A 97 7.604 -6.708 -2.753 1.00 22.34 C ATOM 1515 O TYR A 97 7.472 -7.663 -1.989 1.00 64.42 O ATOM 1516 CB TYR A 97 6.390 -6.046 -4.825 1.00 3.14 C ATOM 1517 CG TYR A 97 6.945 -7.358 -5.381 1.00 15.05 C ATOM 1518 CD1 TYR A 97 6.769 -8.535 -4.681 1.00 21.51 C ATOM 1519 CD2 TYR A 97 7.623 -7.367 -6.584 1.00 74.52 C ATOM 1520 CE1 TYR A 97 7.291 -9.770 -5.204 1.00 54.24 C ATOM 1521 CE2 TYR A 97 8.146 -8.602 -7.107 1.00 1.23 C ATOM 1522 CZ TYR A 97 7.954 -9.743 -6.392 1.00 73.54 C ATOM 1523 OH TYR A 97 8.448 -10.910 -6.886 1.00 60.45 O ATOM 0 H TYR A 97 6.437 -3.933 -3.765 1.00 60.33 H new ATOM 0 HA TYR A 97 5.491 -6.441 -2.864 1.00 13.11 H new ATOM 0 HB2 TYR A 97 5.374 -5.908 -5.194 1.00 3.14 H new ATOM 0 HB3 TYR A 97 6.985 -5.219 -5.212 1.00 3.14 H new ATOM 0 HD1 TYR A 97 6.239 -8.529 -3.740 1.00 21.51 H new ATOM 0 HD2 TYR A 97 7.761 -6.447 -7.133 1.00 74.52 H new ATOM 0 HE1 TYR A 97 7.160 -10.697 -4.666 1.00 54.24 H new ATOM 0 HE2 TYR A 97 8.679 -8.622 -8.046 1.00 1.23 H new ATOM 0 HH TYR A 97 8.882 -10.742 -7.749 1.00 60.45 H new ATOM 1533 N LEU A 98 8.770 -6.233 -3.168 1.00 52.20 N ATOM 1534 CA LEU A 98 10.019 -6.832 -2.731 1.00 32.23 C ATOM 1535 C LEU A 98 10.023 -6.938 -1.205 1.00 0.11 C ATOM 1536 O LEU A 98 10.636 -7.845 -0.643 1.00 31.23 O ATOM 1537 CB LEU A 98 11.211 -6.058 -3.296 1.00 12.22 C ATOM 1538 CG LEU A 98 11.426 -6.168 -4.807 1.00 61.35 C ATOM 1539 CD1 LEU A 98 12.856 -5.781 -5.187 1.00 55.52 C ATOM 1540 CD2 LEU A 98 11.057 -7.564 -5.314 1.00 14.05 C ATOM 0 H LEU A 98 8.875 -5.441 -3.802 1.00 52.20 H new ATOM 0 HA LEU A 98 10.112 -7.845 -3.122 1.00 32.23 H new ATOM 0 HB2 LEU A 98 11.089 -5.005 -3.042 1.00 12.22 H new ATOM 0 HB3 LEU A 98 12.115 -6.404 -2.794 1.00 12.22 H new ATOM 0 HG LEU A 98 10.759 -5.460 -5.299 1.00 61.35 H new ATOM 0 HD11 LEU A 98 12.982 -5.868 -6.266 1.00 55.52 H new ATOM 0 HD12 LEU A 98 13.048 -4.753 -4.881 1.00 55.52 H new ATOM 0 HD13 LEU A 98 13.559 -6.446 -4.685 1.00 55.52 H new ATOM 0 HD21 LEU A 98 11.219 -7.615 -6.391 1.00 14.05 H new ATOM 0 HD22 LEU A 98 11.680 -8.308 -4.818 1.00 14.05 H new ATOM 0 HD23 LEU A 98 10.008 -7.765 -5.095 1.00 14.05 H new ATOM 1552 N LYS A 99 9.332 -6.000 -0.577 1.00 42.13 N ATOM 1553 CA LYS A 99 9.248 -5.976 0.874 1.00 65.14 C ATOM 1554 C LYS A 99 8.369 -7.134 1.349 1.00 74.10 C ATOM 1555 O LYS A 99 8.600 -7.695 2.419 1.00 12.40 O ATOM 1556 CB LYS A 99 8.774 -4.605 1.361 1.00 53.10 C ATOM 1557 CG LYS A 99 8.578 -4.599 2.878 1.00 51.40 C ATOM 1558 CD LYS A 99 8.334 -3.180 3.395 1.00 53.31 C ATOM 1559 CE LYS A 99 8.102 -3.179 4.907 1.00 14.20 C ATOM 1560 NZ LYS A 99 9.312 -3.653 5.618 1.00 30.50 N1+ ATOM 0 H LYS A 99 8.824 -5.250 -1.046 1.00 42.13 H new ATOM 0 HA LYS A 99 10.234 -6.122 1.315 1.00 65.14 H new ATOM 0 HB2 LYS A 99 9.503 -3.844 1.082 1.00 53.10 H new ATOM 0 HB3 LYS A 99 7.837 -4.344 0.869 1.00 53.10 H new ATOM 0 HG2 LYS A 99 7.733 -5.236 3.141 1.00 51.40 H new ATOM 0 HG3 LYS A 99 9.458 -5.020 3.363 1.00 51.40 H new ATOM 0 HD2 LYS A 99 9.190 -2.549 3.155 1.00 53.31 H new ATOM 0 HD3 LYS A 99 7.469 -2.749 2.891 1.00 53.31 H new ATOM 0 HE2 LYS A 99 7.847 -2.173 5.241 1.00 14.20 H new ATOM 0 HE3 LYS A 99 7.255 -3.820 5.151 1.00 14.20 H new ATOM 0 HZ1 LYS A 99 9.231 -3.427 6.630 1.00 30.50 H new ATOM 0 HZ2 LYS A 99 9.403 -4.682 5.500 1.00 30.50 H new ATOM 0 HZ3 LYS A 99 10.152 -3.183 5.224 1.00 30.50 H new ATOM 1573 N LYS A 100 7.380 -7.459 0.530 1.00 45.50 N ATOM 1574 CA LYS A 100 6.465 -8.541 0.853 1.00 71.42 C ATOM 1575 C LYS A 100 7.022 -9.855 0.302 1.00 15.31 C ATOM 1576 O LYS A 100 6.587 -10.934 0.702 1.00 13.03 O ATOM 1577 CB LYS A 100 5.054 -8.215 0.357 1.00 23.01 C ATOM 1578 CG LYS A 100 4.043 -9.243 0.871 1.00 62.30 C ATOM 1579 CD LYS A 100 2.846 -9.354 -0.077 1.00 21.42 C ATOM 1580 CE LYS A 100 3.224 -10.112 -1.350 1.00 4.03 C ATOM 1581 NZ LYS A 100 3.002 -11.565 -1.174 1.00 72.11 N1+ ATOM 0 H LYS A 100 7.192 -6.992 -0.357 1.00 45.50 H new ATOM 0 HA LYS A 100 6.379 -8.658 1.933 1.00 71.42 H new ATOM 0 HB2 LYS A 100 4.768 -7.218 0.692 1.00 23.01 H new ATOM 0 HB3 LYS A 100 5.042 -8.200 -0.733 1.00 23.01 H new ATOM 0 HG2 LYS A 100 4.525 -10.215 0.969 1.00 62.30 H new ATOM 0 HG3 LYS A 100 3.699 -8.956 1.865 1.00 62.30 H new ATOM 0 HD2 LYS A 100 2.026 -9.866 0.426 1.00 21.42 H new ATOM 0 HD3 LYS A 100 2.489 -8.357 -0.335 1.00 21.42 H new ATOM 0 HE2 LYS A 100 2.630 -9.746 -2.188 1.00 4.03 H new ATOM 0 HE3 LYS A 100 4.270 -9.925 -1.595 1.00 4.03 H new ATOM 0 HZ1 LYS A 100 3.264 -12.065 -2.048 1.00 72.11 H new ATOM 0 HZ2 LYS A 100 3.587 -11.913 -0.388 1.00 72.11 H new ATOM 0 HZ3 LYS A 100 1.999 -11.740 -0.963 1.00 72.11 H new ATOM 1594 N ALA A 101 7.976 -9.722 -0.608 1.00 64.02 N ATOM 1595 CA ALA A 101 8.597 -10.885 -1.218 1.00 24.13 C ATOM 1596 C ALA A 101 9.673 -11.434 -0.278 1.00 72.45 C ATOM 1597 O ALA A 101 9.752 -12.642 -0.058 1.00 21.11 O ATOM 1598 CB ALA A 101 9.159 -10.504 -2.589 1.00 75.14 C ATOM 0 H ALA A 101 8.334 -8.826 -0.938 1.00 64.02 H new ATOM 0 HA ALA A 101 7.862 -11.675 -1.376 1.00 24.13 H new ATOM 0 HB1 ALA A 101 9.625 -11.377 -3.047 1.00 75.14 H new ATOM 0 HB2 ALA A 101 8.351 -10.148 -3.227 1.00 75.14 H new ATOM 0 HB3 ALA A 101 9.903 -9.716 -2.471 1.00 75.14 H new ATOM 1604 N THR A 102 10.475 -10.521 0.250 1.00 15.34 N ATOM 1605 CA THR A 102 11.542 -10.899 1.160 1.00 4.43 C ATOM 1606 C THR A 102 11.043 -10.877 2.606 1.00 51.23 C ATOM 1607 O THR A 102 11.829 -10.700 3.536 1.00 33.25 O ATOM 1608 CB THR A 102 12.727 -9.963 0.913 1.00 53.10 C ATOM 1609 OG1 THR A 102 12.312 -8.721 1.472 1.00 60.21 O ATOM 1610 CG2 THR A 102 12.929 -9.654 -0.572 1.00 73.13 C ATOM 0 H THR A 102 10.407 -9.520 0.065 1.00 15.34 H new ATOM 0 HA THR A 102 11.872 -11.922 0.979 1.00 4.43 H new ATOM 0 HB THR A 102 13.634 -10.412 1.317 1.00 53.10 H new ATOM 0 HG1 THR A 102 11.732 -8.253 0.835 1.00 60.21 H new ATOM 0 HG21 THR A 102 13.782 -8.986 -0.692 1.00 73.13 H new ATOM 0 HG22 THR A 102 13.115 -10.581 -1.115 1.00 73.13 H new ATOM 0 HG23 THR A 102 12.034 -9.174 -0.969 1.00 73.13 H new ATOM 1618 N ASN A 103 9.738 -11.060 2.750 1.00 70.44 N ATOM 1619 CA ASN A 103 9.124 -11.064 4.067 1.00 11.44 C ATOM 1620 C ASN A 103 8.649 -12.480 4.400 1.00 44.21 C ATOM 1621 O ASN A 103 8.601 -12.864 5.567 1.00 20.15 O ATOM 1622 CB ASN A 103 7.910 -10.134 4.112 1.00 54.20 C ATOM 1623 CG ASN A 103 7.082 -10.374 5.376 1.00 33.53 C ATOM 1624 OD1 ASN A 103 6.268 -11.280 5.455 1.00 4.43 O ATOM 1625 ND2 ASN A 103 7.334 -9.513 6.359 1.00 23.31 N ATOM 0 H ASN A 103 9.089 -11.206 1.976 1.00 70.44 H new ATOM 0 HA ASN A 103 9.867 -10.721 4.786 1.00 11.44 H new ATOM 0 HB2 ASN A 103 8.241 -9.096 4.082 1.00 54.20 H new ATOM 0 HB3 ASN A 103 7.290 -10.297 3.230 1.00 54.20 H new ATOM 0 HD21 ASN A 103 6.833 -9.589 7.244 1.00 23.31 H new ATOM 0 HD22 ASN A 103 8.028 -8.777 6.227 1.00 23.31 H new ATOM 1632 N GLU A 104 8.310 -13.216 3.353 1.00 23.13 N ATOM 1633 CA GLU A 104 7.840 -14.581 3.519 1.00 54.13 C ATOM 1634 C GLU A 104 9.024 -15.548 3.571 1.00 73.12 C ATOM 1635 O GLU A 104 10.133 -15.200 3.167 1.00 31.02 O ATOM 1636 CB GLU A 104 6.867 -14.965 2.402 1.00 64.13 C ATOM 1637 CG GLU A 104 5.814 -13.876 2.192 1.00 74.30 C ATOM 1638 CD GLU A 104 4.718 -13.960 3.255 1.00 30.24 C ATOM 1639 OE1 GLU A 104 4.395 -12.948 3.896 1.00 70.41 O ATOM 1640 OE2 GLU A 104 4.193 -15.129 3.406 1.00 71.21 O1- ATOM 0 H GLU A 104 8.351 -12.893 2.386 1.00 23.13 H new ATOM 0 HA GLU A 104 7.301 -14.647 4.464 1.00 54.13 H new ATOM 0 HB2 GLU A 104 7.418 -15.127 1.475 1.00 64.13 H new ATOM 0 HB3 GLU A 104 6.377 -15.906 2.650 1.00 64.13 H new ATOM 0 HG2 GLU A 104 6.288 -12.895 2.230 1.00 74.30 H new ATOM 0 HG3 GLU A 104 5.373 -13.979 1.201 1.00 74.30 H new TER 1648 GLU A 104 HETATM 1649 FE HEC A 500 20.106 -7.164 -8.208 1.00 34.12 FE HETATM 1650 CHA HEC A 500 22.634 -7.234 -5.848 1.00 70.41 C HETATM 1651 CHB HEC A 500 17.956 -5.869 -5.873 1.00 51.40 C HETATM 1652 CHC HEC A 500 18.014 -6.482 -10.745 1.00 30.32 C HETATM 1653 CHD HEC A 500 22.198 -8.938 -10.372 1.00 22.15 C HETATM 1654 NA HEC A 500 20.288 -6.581 -6.244 1.00 31.22 N HETATM 1655 C1A HEC A 500 21.412 -6.702 -5.501 1.00 70.42 C HETATM 1656 C2A HEC A 500 21.118 -6.262 -4.173 1.00 55.42 C HETATM 1657 C3A HEC A 500 19.796 -5.884 -4.145 1.00 21.02 C HETATM 1658 C4A HEC A 500 19.268 -6.114 -5.473 1.00 11.25 C HETATM 1659 CMA HEC A 500 19.074 -5.285 -2.966 1.00 33.23 C HETATM 1660 CAA HEC A 500 22.066 -6.379 -3.014 1.00 52.15 C HETATM 1661 CBA HEC A 500 22.421 -7.822 -2.648 1.00 50.33 C HETATM 1662 CGA HEC A 500 21.155 -8.647 -2.487 1.00 24.15 C HETATM 1663 O1A HEC A 500 20.608 -8.651 -1.365 1.00 51.15 O HETATM 1664 O2A HEC A 500 20.709 -9.198 -3.519 1.00 64.43 O HETATM 1665 NB HEC A 500 18.277 -6.410 -8.282 1.00 15.25 N HETATM 1666 C1B HEC A 500 17.553 -5.976 -7.209 1.00 55.24 C HETATM 1667 C2B HEC A 500 16.251 -5.612 -7.704 1.00 23.13 C HETATM 1668 C3B HEC A 500 16.314 -5.642 -9.082 1.00 22.40 C HETATM 1669 C4B HEC A 500 17.598 -6.202 -9.436 1.00 23.25 C HETATM 1670 CMB HEC A 500 15.054 -5.280 -6.854 1.00 22.42 C HETATM 1671 CAB HEC A 500 15.232 -5.241 -10.063 1.00 55.14 C HETATM 1672 CBB HEC A 500 14.423 -3.999 -9.679 1.00 1.25 C HETATM 1673 NC HEC A 500 20.086 -7.666 -10.213 1.00 13.44 N HETATM 1674 C1C HEC A 500 19.113 -7.274 -11.055 1.00 70.35 C HETATM 1675 C2C HEC A 500 19.369 -7.887 -12.342 1.00 1.23 C HETATM 1676 C3C HEC A 500 20.472 -8.699 -12.190 1.00 62.35 C HETATM 1677 C4C HEC A 500 20.994 -8.445 -10.864 1.00 2.33 C HETATM 1678 CMC HEC A 500 18.466 -7.836 -13.553 1.00 14.53 C HETATM 1679 CAC HEC A 500 20.996 -9.746 -13.165 1.00 40.04 C HETATM 1680 CBC HEC A 500 21.500 -9.173 -14.496 1.00 35.45 C HETATM 1681 ND HEC A 500 22.057 -7.965 -8.111 1.00 31.33 N HETATM 1682 C1D HEC A 500 22.676 -8.661 -9.099 1.00 44.31 C HETATM 1683 C2D HEC A 500 23.977 -9.053 -8.604 1.00 33.44 C HETATM 1684 C3D HEC A 500 24.111 -8.518 -7.348 1.00 2.54 C HETATM 1685 C4D HEC A 500 22.877 -7.854 -7.042 1.00 41.22 C HETATM 1686 CMD HEC A 500 25.021 -9.859 -9.330 1.00 21.21 C HETATM 1687 CAD HEC A 500 25.366 -8.505 -6.510 1.00 14.14 C HETATM 1688 CBD HEC A 500 26.475 -7.707 -7.194 1.00 13.53 C HETATM 1689 CGD HEC A 500 27.416 -7.065 -6.197 1.00 13.34 C HETATM 1690 O1D HEC A 500 28.123 -6.115 -6.588 1.00 32.14 O HETATM 1691 O2D HEC A 500 27.453 -7.546 -5.048 1.00 31.10 O HETATM 0 HMD3 HEC A 500 24.613 -10.837 -9.586 1.00 21.21 H new HETATM 0 HMD2 HEC A 500 25.314 -9.338 -10.242 1.00 21.21 H new HETATM 0 HMD1 HEC A 500 25.893 -9.986 -8.689 1.00 21.21 H new HETATM 0 HMC3 HEC A 500 17.503 -8.284 -13.308 1.00 14.53 H new HETATM 0 HMC2 HEC A 500 18.318 -6.799 -13.853 1.00 14.53 H new HETATM 0 HMC1 HEC A 500 18.925 -8.389 -14.373 1.00 14.53 H new HETATM 0 HMB3 HEC A 500 14.805 -6.136 -6.226 1.00 22.42 H new HETATM 0 HMB2 HEC A 500 15.283 -4.421 -6.223 1.00 22.42 H new HETATM 0 HMB1 HEC A 500 14.206 -5.042 -7.496 1.00 22.42 H new HETATM 0 HMA3 HEC A 500 19.104 -5.982 -2.129 1.00 33.23 H new HETATM 0 HMA2 HEC A 500 19.558 -4.352 -2.679 1.00 33.23 H new HETATM 0 HMA1 HEC A 500 18.037 -5.087 -3.237 1.00 33.23 H new HETATM 0 HBD2 HEC A 500 27.041 -8.366 -7.853 1.00 13.53 H new HETATM 0 HBD1 HEC A 500 26.030 -6.934 -7.821 1.00 13.53 H new HETATM 0 HBC3 HEC A 500 20.687 -8.649 -14.998 1.00 35.45 H new HETATM 0 HBC2 HEC A 500 22.317 -8.477 -14.306 1.00 35.45 H new HETATM 0 HBC1 HEC A 500 21.855 -9.985 -15.131 1.00 35.45 H new HETATM 0 HBB3 HEC A 500 13.925 -4.170 -8.725 1.00 1.25 H new HETATM 0 HBB2 HEC A 500 15.091 -3.142 -9.591 1.00 1.25 H new HETATM 0 HBB1 HEC A 500 13.676 -3.799 -10.447 1.00 1.25 H new HETATM 0 HBA2 HEC A 500 23.052 -8.257 -3.423 1.00 50.33 H new HETATM 0 HBA1 HEC A 500 22.996 -7.840 -1.722 1.00 50.33 H new HETATM 0 HAD2 HEC A 500 25.151 -8.071 -5.534 1.00 14.14 H new HETATM 0 HAD1 HEC A 500 25.703 -9.527 -6.337 1.00 14.14 H new HETATM 0 HAA2 HEC A 500 22.982 -5.838 -3.251 1.00 52.15 H new HETATM 0 HAA1 HEC A 500 21.624 -5.892 -2.145 1.00 52.15 H new HETATM 0 HHD HEC A 500 22.798 -9.576 -11.021 1.00 22.15 H new HETATM 0 HHC HEC A 500 17.442 -6.053 -11.568 1.00 30.32 H new HETATM 0 HHB HEC A 500 17.220 -5.585 -5.121 1.00 51.40 H new HETATM 0 HHA HEC A 500 23.452 -7.157 -5.132 1.00 70.41 H new HETATM 0 H2A HEC A 500 20.317 -10.065 -3.284 1.00 64.43 H new