USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 THR OG1 : rot 111:sc= 0.881 USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 0.776 USER MOD Set 2.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 52 ASN : amide:sc= -1.04 K(o=0.27,f=-4.6!) USER MOD Set 2.3: A 54 TYR OH : rot -127:sc= 0.32 USER MOD Set 2.4: A 63 LYS NZ :NH3+ -157:sc= 0.994 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 144:sc= 0.203 (180deg=0.0102) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0775 USER MOD Single : A 2 HIS :FLIP no HD1:sc= -1.11 F(o=-2.3,f=-1.1) USER MOD Single : A 3 MET CE :methyl -158:sc= 0 (180deg=-0.121) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.25) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.627 F(o=-1.6,f=-0.63) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.71 F(o=-1.4,f=-0.71) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0203 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -100:sc= -1.49 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0518 USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 1.25 (180deg=1.05) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 72:sc= 1.14 USER MOD Single : A 39 CYS SG : rot 180:sc= -0.695 USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= 0.0746 (180deg=0.0568) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.0492 F(o=-1.4,f=-0.049) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot 60:sc= -1.02 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.061 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 147:sc= 0.966 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -118:sc= 1.26 (180deg=-0.386) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.931 -7.259 17.830 1.00 0.00 N ATOM 2 CA SER A 1 4.928 -7.714 16.400 1.00 0.00 C ATOM 3 C SER A 1 4.497 -6.564 15.466 1.00 0.00 C ATOM 4 O SER A 1 3.623 -5.829 15.897 1.00 0.00 O ATOM 5 CB SER A 1 3.968 -8.881 16.228 1.00 0.00 C ATOM 6 OG SER A 1 4.285 -9.823 17.289 1.00 0.00 O ATOM 0 H1 SER A 1 4.618 -8.039 18.443 1.00 0.00 H new ATOM 0 H2 SER A 1 5.893 -6.971 18.101 1.00 0.00 H new ATOM 0 H3 SER A 1 4.284 -6.452 17.939 1.00 0.00 H new ATOM 0 HA SER A 1 5.939 -8.027 16.139 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.933 -8.548 16.299 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.088 -9.343 15.248 1.00 0.00 H new ATOM 0 HG SER A 1 3.690 -10.599 17.226 1.00 0.00 H new ATOM 13 N HIS A 2 5.057 -6.387 14.257 1.00 0.00 N ATOM 14 CA HIS A 2 4.812 -5.162 13.468 1.00 0.00 C ATOM 15 C HIS A 2 5.324 -5.277 12.022 1.00 0.00 C ATOM 16 O HIS A 2 4.648 -5.855 11.171 1.00 0.00 O ATOM 17 CB HIS A 2 5.373 -3.921 14.222 1.00 0.00 C ATOM 18 CG HIS A 2 6.775 -4.001 14.817 1.00 0.00 C ATOM 19 ND1 HIS A 2 7.697 -5.023 14.751 1.00 0.00 N flip ATOM 20 CD2 HIS A 2 7.359 -3.012 15.581 1.00 0.00 C flip ATOM 21 CE1 HIS A 2 8.833 -4.648 15.471 1.00 0.00 C flip ATOM 22 NE2 HIS A 2 8.589 -3.415 15.944 1.00 0.00 N flip ATOM 0 H HIS A 2 5.674 -7.064 13.808 1.00 0.00 H new ATOM 0 HA HIS A 2 3.735 -5.028 13.370 1.00 0.00 H new ATOM 0 HB2 HIS A 2 5.354 -3.078 13.532 1.00 0.00 H new ATOM 0 HB3 HIS A 2 4.683 -3.686 15.032 1.00 0.00 H new ATOM 0 HD2 HIS A 2 6.903 -2.069 15.844 1.00 0.00 H new ATOM 0 HE1 HIS A 2 9.729 -5.233 15.618 1.00 0.00 H new ATOM 0 HE2 HIS A 2 9.243 -2.863 16.499 1.00 0.00 H new ATOM 30 N MET A 3 6.552 -4.819 11.734 1.00 0.00 N ATOM 31 CA MET A 3 7.323 -4.891 10.471 1.00 0.00 C ATOM 32 C MET A 3 7.644 -6.320 9.936 1.00 0.00 C ATOM 33 O MET A 3 8.682 -6.511 9.290 1.00 0.00 O ATOM 34 CB MET A 3 8.593 -4.024 10.643 1.00 0.00 C ATOM 35 CG MET A 3 9.592 -4.596 11.673 1.00 0.00 C ATOM 36 SD MET A 3 10.923 -3.436 12.087 1.00 0.00 S ATOM 37 CE MET A 3 11.850 -4.480 13.237 1.00 0.00 C ATOM 0 H MET A 3 7.091 -4.337 12.453 1.00 0.00 H new ATOM 0 HA MET A 3 6.680 -4.500 9.683 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.092 -3.928 9.679 1.00 0.00 H new ATOM 0 HB3 MET A 3 8.300 -3.020 10.951 1.00 0.00 H new ATOM 0 HG2 MET A 3 9.054 -4.864 12.583 1.00 0.00 H new ATOM 0 HG3 MET A 3 10.027 -5.514 11.278 1.00 0.00 H new ATOM 0 HE1 MET A 3 12.459 -3.853 13.888 1.00 0.00 H new ATOM 0 HE2 MET A 3 11.154 -5.062 13.841 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.496 -5.155 12.676 1.00 0.00 H new ATOM 47 N THR A 4 6.747 -7.272 10.201 1.00 0.00 N ATOM 48 CA THR A 4 6.825 -8.653 9.780 1.00 0.00 C ATOM 49 C THR A 4 5.881 -8.971 8.638 1.00 0.00 C ATOM 50 O THR A 4 6.334 -9.261 7.543 1.00 0.00 O ATOM 51 CB THR A 4 6.622 -9.589 10.977 1.00 0.00 C ATOM 52 OG1 THR A 4 7.422 -9.163 12.047 1.00 0.00 O ATOM 53 CG2 THR A 4 6.973 -11.044 10.653 1.00 0.00 C ATOM 0 H THR A 4 5.906 -7.079 10.745 1.00 0.00 H new ATOM 0 HA THR A 4 7.827 -8.820 9.386 1.00 0.00 H new ATOM 0 HB THR A 4 5.564 -9.548 11.237 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.290 -9.761 12.812 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.811 -11.663 11.536 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.340 -11.399 9.840 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.019 -11.108 10.352 1.00 0.00 H new ATOM 61 N ALA A 5 4.574 -8.856 8.849 1.00 0.00 N ATOM 62 CA ALA A 5 3.582 -9.262 7.838 1.00 0.00 C ATOM 63 C ALA A 5 3.504 -8.263 6.683 1.00 0.00 C ATOM 64 O ALA A 5 3.463 -8.619 5.513 1.00 0.00 O ATOM 65 CB ALA A 5 2.222 -9.442 8.545 1.00 0.00 C ATOM 0 H ALA A 5 4.169 -8.486 9.709 1.00 0.00 H new ATOM 0 HA ALA A 5 3.883 -10.207 7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.470 -9.743 7.816 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.310 -10.210 9.313 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.924 -8.500 9.006 1.00 0.00 H new ATOM 71 N VAL A 6 3.534 -6.973 7.028 1.00 0.00 N ATOM 72 CA VAL A 6 3.591 -5.816 6.135 1.00 0.00 C ATOM 73 C VAL A 6 4.843 -5.867 5.266 1.00 0.00 C ATOM 74 O VAL A 6 4.780 -5.566 4.086 1.00 0.00 O ATOM 75 CB VAL A 6 3.453 -4.513 6.940 1.00 0.00 C ATOM 76 CG1 VAL A 6 4.716 -4.115 7.718 1.00 0.00 C ATOM 77 CG2 VAL A 6 2.942 -3.380 6.052 1.00 0.00 C ATOM 0 H VAL A 6 3.518 -6.691 8.008 1.00 0.00 H new ATOM 0 HA VAL A 6 2.746 -5.844 5.447 1.00 0.00 H new ATOM 0 HB VAL A 6 2.709 -4.711 7.711 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.533 -3.186 8.258 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.970 -4.903 8.427 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.543 -3.974 7.022 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.852 -2.468 6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.643 -3.215 5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.966 -3.648 5.646 1.00 0.00 H new ATOM 87 N GLN A 7 5.949 -6.338 5.836 1.00 0.00 N ATOM 88 CA GLN A 7 7.236 -6.473 5.146 1.00 0.00 C ATOM 89 C GLN A 7 7.202 -7.618 4.121 1.00 0.00 C ATOM 90 O GLN A 7 7.443 -7.390 2.936 1.00 0.00 O ATOM 91 CB GLN A 7 8.282 -6.691 6.261 1.00 0.00 C ATOM 92 CG GLN A 7 9.744 -6.678 5.767 1.00 0.00 C ATOM 93 CD GLN A 7 9.988 -5.431 4.934 1.00 0.00 C ATOM 94 OE1 GLN A 7 10.395 -5.476 3.790 1.00 0.00 O ATOM 95 NE2 GLN A 7 9.515 -4.291 5.404 1.00 0.00 N ATOM 0 H GLN A 7 5.980 -6.643 6.809 1.00 0.00 H new ATOM 0 HA GLN A 7 7.484 -5.588 4.560 1.00 0.00 H new ATOM 0 HB2 GLN A 7 8.158 -5.915 7.017 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.083 -7.645 6.749 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.426 -6.699 6.617 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.946 -7.570 5.174 1.00 0.00 H new ATOM 0 HE21 GLN A 7 9.170 -4.238 6.362 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.495 -3.463 4.809 1.00 0.00 H new ATOM 104 N ASP A 8 6.788 -8.779 4.611 1.00 0.00 N ATOM 105 CA ASP A 8 6.549 -10.011 3.858 1.00 0.00 C ATOM 106 C ASP A 8 5.617 -9.790 2.657 1.00 0.00 C ATOM 107 O ASP A 8 5.877 -10.313 1.578 1.00 0.00 O ATOM 108 CB ASP A 8 6.021 -11.063 4.851 1.00 0.00 C ATOM 109 CG ASP A 8 5.713 -12.440 4.282 1.00 0.00 C ATOM 110 OD1 ASP A 8 6.609 -13.276 4.142 1.00 0.00 O ATOM 111 OD2 ASP A 8 4.513 -12.738 4.059 1.00 0.00 O1- ATOM 0 H ASP A 8 6.597 -8.897 5.606 1.00 0.00 H new ATOM 0 HA ASP A 8 7.477 -10.368 3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.756 -11.180 5.647 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.113 -10.673 5.310 1.00 0.00 H new ATOM 116 N PHE A 9 4.567 -8.977 2.823 1.00 0.00 N ATOM 117 CA PHE A 9 3.744 -8.467 1.728 1.00 0.00 C ATOM 118 C PHE A 9 4.508 -7.481 0.835 1.00 0.00 C ATOM 119 O PHE A 9 4.499 -7.596 -0.383 1.00 0.00 O ATOM 120 CB PHE A 9 2.501 -7.772 2.313 1.00 0.00 C ATOM 121 CG PHE A 9 1.723 -7.021 1.245 1.00 0.00 C ATOM 122 CD1 PHE A 9 1.908 -5.630 1.099 1.00 0.00 C ATOM 123 CD2 PHE A 9 0.929 -7.707 0.310 1.00 0.00 C ATOM 124 CE1 PHE A 9 1.246 -4.923 0.083 1.00 0.00 C ATOM 125 CE2 PHE A 9 0.311 -6.997 -0.739 1.00 0.00 C ATOM 126 CZ PHE A 9 0.437 -5.606 -0.836 1.00 0.00 C ATOM 0 H PHE A 9 4.263 -8.651 3.740 1.00 0.00 H new ATOM 0 HA PHE A 9 3.456 -9.314 1.106 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.854 -8.515 2.780 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.807 -7.078 3.096 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.565 -5.104 1.776 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.793 -8.775 0.395 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.360 -3.852 0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.267 -7.533 -1.477 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.084 -5.064 -1.611 1.00 0.00 H new ATOM 136 N VAL A 10 5.125 -6.458 1.437 1.00 0.00 N ATOM 137 CA VAL A 10 5.777 -5.324 0.737 1.00 0.00 C ATOM 138 C VAL A 10 6.769 -5.755 -0.358 1.00 0.00 C ATOM 139 O VAL A 10 6.617 -5.302 -1.489 1.00 0.00 O ATOM 140 CB VAL A 10 6.439 -4.303 1.706 1.00 0.00 C ATOM 141 CG1 VAL A 10 7.520 -3.402 1.072 1.00 0.00 C ATOM 142 CG2 VAL A 10 5.394 -3.334 2.289 1.00 0.00 C ATOM 0 H VAL A 10 5.191 -6.386 2.452 1.00 0.00 H new ATOM 0 HA VAL A 10 4.953 -4.817 0.236 1.00 0.00 H new ATOM 0 HB VAL A 10 6.902 -4.942 2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.920 -2.726 1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.325 -4.022 0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.080 -2.820 0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.885 -2.632 2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.915 -2.785 1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.641 -3.899 2.839 1.00 0.00 H new ATOM 152 N VAL A 11 7.717 -6.651 -0.066 1.00 0.00 N ATOM 153 CA VAL A 11 8.736 -7.090 -1.058 1.00 0.00 C ATOM 154 C VAL A 11 8.208 -7.812 -2.305 1.00 0.00 C ATOM 155 O VAL A 11 8.913 -7.852 -3.315 1.00 0.00 O ATOM 156 CB VAL A 11 10.019 -7.754 -0.506 1.00 0.00 C ATOM 157 CG1 VAL A 11 11.229 -6.810 -0.629 1.00 0.00 C ATOM 158 CG2 VAL A 11 9.887 -8.054 0.986 1.00 0.00 C ATOM 0 H VAL A 11 7.810 -7.094 0.848 1.00 0.00 H new ATOM 0 HA VAL A 11 9.060 -6.107 -1.401 1.00 0.00 H new ATOM 0 HB VAL A 11 10.159 -8.665 -1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.117 -7.303 -0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.390 -6.560 -1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.038 -5.898 -0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.804 -8.520 1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.715 -7.125 1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.048 -8.731 1.148 1.00 0.00 H new ATOM 168 N ASP A 12 6.979 -8.311 -2.239 1.00 0.00 N ATOM 169 CA ASP A 12 6.252 -8.944 -3.358 1.00 0.00 C ATOM 170 C ASP A 12 5.955 -7.941 -4.506 1.00 0.00 C ATOM 171 O ASP A 12 6.060 -8.286 -5.681 1.00 0.00 O ATOM 172 CB ASP A 12 4.941 -9.453 -2.719 1.00 0.00 C ATOM 173 CG ASP A 12 4.211 -10.638 -3.358 1.00 0.00 C ATOM 174 OD1 ASP A 12 4.831 -11.470 -4.068 1.00 0.00 O ATOM 175 OD2 ASP A 12 3.027 -10.800 -2.972 1.00 0.00 O1- ATOM 0 H ASP A 12 6.433 -8.290 -1.378 1.00 0.00 H new ATOM 0 HA ASP A 12 6.837 -9.740 -3.820 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.162 -9.722 -1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.244 -8.616 -2.688 1.00 0.00 H new ATOM 180 N ILE A 13 5.676 -6.667 -4.166 1.00 0.00 N ATOM 181 CA ILE A 13 5.686 -5.488 -5.034 1.00 0.00 C ATOM 182 C ILE A 13 7.132 -5.034 -5.173 1.00 0.00 C ATOM 183 O ILE A 13 7.570 -4.784 -6.281 1.00 0.00 O ATOM 184 CB ILE A 13 4.829 -4.374 -4.401 1.00 0.00 C ATOM 185 CG1 ILE A 13 3.330 -4.706 -4.319 1.00 0.00 C ATOM 186 CG2 ILE A 13 5.001 -3.107 -5.252 1.00 0.00 C ATOM 187 CD1 ILE A 13 2.952 -5.803 -3.321 1.00 0.00 C ATOM 0 H ILE A 13 5.421 -6.425 -3.209 1.00 0.00 H new ATOM 0 HA ILE A 13 5.270 -5.720 -6.014 1.00 0.00 H new ATOM 0 HB ILE A 13 5.175 -4.246 -3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.788 -3.797 -4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.987 -5.006 -5.309 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.405 -2.300 -4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.051 -2.816 -5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.669 -3.305 -6.271 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.873 -5.958 -3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.458 -6.730 -3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.255 -5.503 -2.318 1.00 0.00 H new ATOM 199 N LEU A 14 7.844 -4.838 -4.064 1.00 0.00 N ATOM 200 CA LEU A 14 9.022 -3.984 -4.030 1.00 0.00 C ATOM 201 C LEU A 14 10.098 -4.496 -4.999 1.00 0.00 C ATOM 202 O LEU A 14 10.513 -3.803 -5.923 1.00 0.00 O ATOM 203 CB LEU A 14 9.582 -3.887 -2.584 1.00 0.00 C ATOM 204 CG LEU A 14 10.100 -2.495 -2.211 1.00 0.00 C ATOM 205 CD1 LEU A 14 10.973 -2.574 -0.946 1.00 0.00 C ATOM 206 CD2 LEU A 14 10.894 -1.873 -3.377 1.00 0.00 C ATOM 0 H LEU A 14 7.618 -5.268 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 14 8.729 -2.985 -4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.799 -4.173 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.391 -4.608 -2.469 1.00 0.00 H new ATOM 0 HG LEU A 14 9.243 -1.853 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.335 -1.578 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.381 -2.967 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.822 -3.233 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.251 -0.885 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.745 -2.510 -3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.248 -1.784 -4.250 1.00 0.00 H new ATOM 218 N LEU A 15 10.534 -5.724 -4.747 1.00 0.00 N ATOM 219 CA LEU A 15 11.480 -6.411 -5.624 1.00 0.00 C ATOM 220 C LEU A 15 10.729 -7.189 -6.646 1.00 0.00 C ATOM 221 O LEU A 15 11.000 -7.053 -7.838 1.00 0.00 O ATOM 222 CB LEU A 15 12.303 -7.419 -4.828 1.00 0.00 C ATOM 223 CG LEU A 15 13.592 -7.956 -5.496 1.00 0.00 C ATOM 224 CD1 LEU A 15 14.552 -6.842 -5.943 1.00 0.00 C ATOM 225 CD2 LEU A 15 14.315 -8.883 -4.508 1.00 0.00 C ATOM 0 H LEU A 15 10.246 -6.270 -3.935 1.00 0.00 H new ATOM 0 HA LEU A 15 12.124 -5.660 -6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.579 -6.958 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.663 -8.270 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 15 13.291 -8.493 -6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.435 -7.286 -6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 15 14.051 -6.198 -6.666 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.852 -6.251 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.225 -9.267 -4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.572 -8.325 -3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.662 -9.715 -4.246 1.00 0.00 H new ATOM 237 N ASN A 16 9.853 -8.077 -6.154 1.00 0.00 N ATOM 238 CA ASN A 16 9.448 -9.178 -6.990 1.00 0.00 C ATOM 239 C ASN A 16 8.564 -8.631 -8.135 1.00 0.00 C ATOM 240 O ASN A 16 8.416 -9.275 -9.179 1.00 0.00 O ATOM 241 CB ASN A 16 8.722 -10.307 -6.212 1.00 0.00 C ATOM 242 CG ASN A 16 9.296 -10.768 -4.878 1.00 0.00 C ATOM 243 OD1 ASN A 16 10.540 -10.446 -4.531 1.00 0.00 O flip ATOM 244 ND2 ASN A 16 8.646 -11.429 -4.069 1.00 0.00 N flip ATOM 0 H ASN A 16 9.436 -8.047 -5.223 1.00 0.00 H new ATOM 0 HA ASN A 16 10.348 -9.641 -7.395 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.698 -9.979 -6.034 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.669 -11.177 -6.866 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.688 -11.702 -4.286 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.066 -11.704 -3.181 1.00 0.00 H new ATOM 251 N GLY A 17 8.017 -7.423 -7.900 1.00 0.00 N ATOM 252 CA GLY A 17 7.130 -6.663 -8.758 1.00 0.00 C ATOM 253 C GLY A 17 5.706 -7.162 -8.736 1.00 0.00 C ATOM 254 O GLY A 17 5.381 -8.333 -8.596 1.00 0.00 O ATOM 0 H GLY A 17 8.209 -6.926 -7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.146 -5.617 -8.450 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.505 -6.700 -9.781 1.00 0.00 H new ATOM 258 N ALA A 18 4.810 -6.195 -8.881 1.00 0.00 N ATOM 259 CA ALA A 18 3.389 -6.346 -8.650 1.00 0.00 C ATOM 260 C ALA A 18 2.594 -7.065 -9.777 1.00 0.00 C ATOM 261 O ALA A 18 3.096 -7.520 -10.816 1.00 0.00 O ATOM 262 CB ALA A 18 2.840 -4.929 -8.390 1.00 0.00 C ATOM 0 H ALA A 18 5.067 -5.252 -9.173 1.00 0.00 H new ATOM 0 HA ALA A 18 3.253 -7.013 -7.799 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.767 -4.982 -8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.335 -4.501 -7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.030 -4.300 -9.260 1.00 0.00 H new ATOM 268 N ARG A 19 1.307 -7.163 -9.454 1.00 0.00 N ATOM 269 CA ARG A 19 0.190 -6.870 -10.367 1.00 0.00 C ATOM 270 C ARG A 19 0.382 -5.659 -11.281 1.00 0.00 C ATOM 271 O ARG A 19 1.478 -5.160 -11.445 1.00 0.00 O ATOM 272 CB ARG A 19 -1.057 -6.693 -9.427 1.00 0.00 C ATOM 273 CG ARG A 19 -2.169 -7.696 -9.760 1.00 0.00 C ATOM 274 CD ARG A 19 -1.864 -9.078 -9.145 1.00 0.00 C ATOM 275 NE ARG A 19 -2.435 -10.180 -9.923 1.00 0.00 N ATOM 276 CZ ARG A 19 -1.893 -10.782 -10.957 1.00 0.00 C ATOM 277 NH1 ARG A 19 -0.637 -10.573 -11.300 1.00 0.00 N ATOM 278 NH2 ARG A 19 -2.494 -11.833 -11.456 1.00 0.00 N ATOM 0 H ARG A 19 0.997 -7.456 -8.527 1.00 0.00 H new ATOM 0 HA ARG A 19 0.085 -7.685 -11.084 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.751 -6.822 -8.389 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.443 -5.678 -9.522 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.122 -7.327 -9.382 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.269 -7.789 -10.841 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.784 -9.210 -9.074 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.257 -9.114 -8.129 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.352 -10.516 -9.630 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.060 -9.930 -10.757 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.242 -11.054 -12.108 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.364 -12.168 -11.042 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.092 -12.317 -12.259 1.00 0.00 H new ATOM 292 N ASP A 20 -0.743 -5.201 -11.815 1.00 0.00 N ATOM 293 CA ASP A 20 -0.954 -4.146 -12.773 1.00 0.00 C ATOM 294 C ASP A 20 -0.454 -2.735 -12.347 1.00 0.00 C ATOM 295 O ASP A 20 -0.729 -1.740 -13.014 1.00 0.00 O ATOM 296 CB ASP A 20 -2.435 -4.195 -13.017 1.00 0.00 C ATOM 297 CG ASP A 20 -2.905 -5.529 -13.571 1.00 0.00 C ATOM 298 OD1 ASP A 20 -2.266 -6.054 -14.493 1.00 0.00 O ATOM 299 OD2 ASP A 20 -3.860 -6.136 -13.073 1.00 0.00 O1- ATOM 0 H ASP A 20 -1.634 -5.619 -11.547 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.355 -4.309 -13.669 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.958 -3.992 -12.082 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.709 -3.403 -13.714 1.00 0.00 H new ATOM 304 N TRP A 21 0.329 -2.631 -11.269 1.00 0.00 N ATOM 305 CA TRP A 21 0.861 -1.426 -10.673 1.00 0.00 C ATOM 306 C TRP A 21 2.328 -1.185 -11.041 1.00 0.00 C ATOM 307 O TRP A 21 3.129 -2.090 -11.166 1.00 0.00 O ATOM 308 CB TRP A 21 0.671 -1.533 -9.147 1.00 0.00 C ATOM 309 CG TRP A 21 -0.736 -1.735 -8.670 1.00 0.00 C ATOM 310 CD1 TRP A 21 -1.618 -2.669 -9.084 1.00 0.00 C ATOM 311 CD2 TRP A 21 -1.497 -0.889 -7.762 1.00 0.00 C ATOM 312 NE1 TRP A 21 -2.857 -2.440 -8.525 1.00 0.00 N ATOM 313 CE2 TRP A 21 -2.855 -1.314 -7.743 1.00 0.00 C ATOM 314 CE3 TRP A 21 -1.161 0.247 -7.009 1.00 0.00 C ATOM 315 CZ2 TRP A 21 -3.834 -0.638 -7.016 1.00 0.00 C ATOM 316 CZ3 TRP A 21 -2.150 0.982 -6.324 1.00 0.00 C ATOM 317 CH2 TRP A 21 -3.469 0.513 -6.297 1.00 0.00 C ATOM 0 H TRP A 21 0.625 -3.462 -10.757 1.00 0.00 H new ATOM 0 HA TRP A 21 0.321 -0.563 -11.063 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.279 -2.361 -8.783 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.062 -0.625 -8.688 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.386 -3.481 -9.758 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.673 -3.034 -8.674 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.130 0.563 -6.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.854 -0.992 -7.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -1.891 1.903 -5.822 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.213 1.041 -5.718 1.00 0.00 H new ATOM 328 N ASP A 22 2.669 0.092 -11.134 1.00 0.00 N ATOM 329 CA ASP A 22 4.052 0.608 -11.251 1.00 0.00 C ATOM 330 C ASP A 22 4.614 0.780 -9.833 1.00 0.00 C ATOM 331 O ASP A 22 3.888 0.940 -8.862 1.00 0.00 O ATOM 332 CB ASP A 22 4.101 1.910 -12.072 1.00 0.00 C ATOM 333 CG ASP A 22 5.544 2.408 -12.350 1.00 0.00 C ATOM 334 OD1 ASP A 22 5.671 3.568 -12.803 1.00 0.00 O ATOM 335 OD2 ASP A 22 6.522 1.635 -12.122 1.00 0.00 O1- ATOM 0 H ASP A 22 1.973 0.837 -11.131 1.00 0.00 H new ATOM 0 HA ASP A 22 4.675 -0.100 -11.797 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.590 1.752 -13.022 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.552 2.687 -11.540 1.00 0.00 H new ATOM 340 N VAL A 23 5.915 0.630 -9.700 1.00 0.00 N ATOM 341 CA VAL A 23 6.594 0.136 -8.549 1.00 0.00 C ATOM 342 C VAL A 23 7.387 1.304 -8.062 1.00 0.00 C ATOM 343 O VAL A 23 8.406 1.735 -8.600 1.00 0.00 O ATOM 344 CB VAL A 23 7.391 -1.116 -8.992 1.00 0.00 C ATOM 345 CG1 VAL A 23 8.882 -1.024 -9.352 1.00 0.00 C ATOM 346 CG2 VAL A 23 7.004 -2.197 -8.021 1.00 0.00 C ATOM 0 H VAL A 23 6.559 0.871 -10.453 1.00 0.00 H new ATOM 0 HA VAL A 23 5.979 -0.211 -7.719 1.00 0.00 H new ATOM 0 HB VAL A 23 7.099 -1.336 -10.019 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.250 -2.010 -9.635 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.013 -0.335 -10.186 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.443 -0.661 -8.490 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.531 -3.118 -8.272 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.271 -1.890 -7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.929 -2.368 -8.076 1.00 0.00 H new ATOM 356 N LEU A 24 6.784 1.926 -7.070 1.00 0.00 N ATOM 357 CA LEU A 24 7.114 3.293 -6.756 1.00 0.00 C ATOM 358 C LEU A 24 7.413 3.377 -5.274 1.00 0.00 C ATOM 359 O LEU A 24 6.598 3.119 -4.423 1.00 0.00 O ATOM 360 CB LEU A 24 5.910 4.148 -7.106 1.00 0.00 C ATOM 361 CG LEU A 24 5.900 4.986 -8.374 1.00 0.00 C ATOM 362 CD1 LEU A 24 7.029 6.013 -8.328 1.00 0.00 C ATOM 363 CD2 LEU A 24 5.913 4.146 -9.638 1.00 0.00 C ATOM 0 H LEU A 24 6.069 1.508 -6.474 1.00 0.00 H new ATOM 0 HA LEU A 24 7.983 3.641 -7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.047 3.484 -7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.744 4.828 -6.270 1.00 0.00 H new ATOM 0 HG LEU A 24 4.955 5.527 -8.414 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.015 6.610 -9.240 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.893 6.665 -7.465 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.986 5.498 -8.246 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.905 4.800 -10.510 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.811 3.529 -9.656 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.032 3.505 -9.658 1.00 0.00 H new ATOM 375 N GLN A 25 8.597 3.814 -4.994 1.00 0.00 N ATOM 376 CA GLN A 25 9.048 4.017 -3.604 1.00 0.00 C ATOM 377 C GLN A 25 9.055 5.518 -3.378 1.00 0.00 C ATOM 378 O GLN A 25 10.090 6.172 -3.520 1.00 0.00 O ATOM 379 CB GLN A 25 10.386 3.372 -3.344 1.00 0.00 C ATOM 380 CG GLN A 25 10.426 1.865 -3.704 1.00 0.00 C ATOM 381 CD GLN A 25 9.436 1.024 -2.915 1.00 0.00 C ATOM 382 OE1 GLN A 25 8.394 0.445 -3.515 1.00 0.00 O flip ATOM 383 NE2 GLN A 25 9.577 0.831 -1.708 1.00 0.00 N flip ATOM 0 H GLN A 25 9.296 4.047 -5.699 1.00 0.00 H new ATOM 0 HA GLN A 25 8.378 3.533 -2.894 1.00 0.00 H new ATOM 0 HB2 GLN A 25 11.150 3.895 -3.919 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.640 3.493 -2.291 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.221 1.749 -4.768 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.433 1.485 -3.530 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.361 1.255 -1.212 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.910 0.246 -1.204 1.00 0.00 H new ATOM 392 N THR A 26 7.871 6.037 -3.014 1.00 0.00 N ATOM 393 CA THR A 26 7.621 7.372 -2.518 1.00 0.00 C ATOM 394 C THR A 26 6.817 7.331 -1.183 1.00 0.00 C ATOM 395 O THR A 26 6.673 6.280 -0.534 1.00 0.00 O ATOM 396 CB THR A 26 7.140 8.212 -3.676 1.00 0.00 C ATOM 397 OG1 THR A 26 6.834 9.508 -3.238 1.00 0.00 O ATOM 398 CG2 THR A 26 5.953 7.648 -4.434 1.00 0.00 C ATOM 0 H THR A 26 7.014 5.486 -3.068 1.00 0.00 H new ATOM 0 HA THR A 26 8.511 7.901 -2.176 1.00 0.00 H new ATOM 0 HB THR A 26 7.970 8.217 -4.382 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.525 10.045 -3.997 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.685 8.325 -5.245 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.214 6.673 -4.846 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.106 7.541 -3.756 1.00 0.00 H new ATOM 406 N THR A 27 6.381 8.481 -0.671 1.00 0.00 N ATOM 407 CA THR A 27 5.492 8.596 0.473 1.00 0.00 C ATOM 408 C THR A 27 4.465 9.648 0.112 1.00 0.00 C ATOM 409 O THR A 27 4.798 10.705 -0.409 1.00 0.00 O ATOM 410 CB THR A 27 6.208 8.983 1.772 1.00 0.00 C ATOM 411 OG1 THR A 27 6.662 10.322 1.684 1.00 0.00 O ATOM 412 CG2 THR A 27 7.379 8.055 2.151 1.00 0.00 C ATOM 0 H THR A 27 6.649 9.386 -1.058 1.00 0.00 H new ATOM 0 HA THR A 27 5.043 7.623 0.673 1.00 0.00 H new ATOM 0 HB THR A 27 5.472 8.874 2.569 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.118 10.568 2.516 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.830 8.400 3.082 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.010 7.038 2.282 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.127 8.070 1.358 1.00 0.00 H new ATOM 420 N CYS A 28 3.227 9.372 0.463 1.00 0.00 N ATOM 421 CA CYS A 28 2.030 10.176 0.294 1.00 0.00 C ATOM 422 C CYS A 28 1.677 10.846 1.589 1.00 0.00 C ATOM 423 O CYS A 28 2.035 10.335 2.638 1.00 0.00 O ATOM 424 CB CYS A 28 0.976 9.173 -0.127 1.00 0.00 C ATOM 425 SG CYS A 28 -0.728 9.764 0.084 1.00 0.00 S ATOM 0 H CYS A 28 3.010 8.487 0.922 1.00 0.00 H new ATOM 0 HA CYS A 28 2.141 10.977 -0.437 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.133 8.913 -1.174 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.107 8.258 0.451 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.227 9.268 1.177 1.00 0.00 H new ATOM 431 N THR A 29 0.923 11.939 1.523 1.00 0.00 N ATOM 432 CA THR A 29 0.382 12.611 2.709 1.00 0.00 C ATOM 433 C THR A 29 -1.127 12.666 2.676 1.00 0.00 C ATOM 434 O THR A 29 -1.692 13.273 1.772 1.00 0.00 O ATOM 435 CB THR A 29 0.950 14.033 2.843 1.00 0.00 C ATOM 436 OG1 THR A 29 2.338 14.066 2.635 1.00 0.00 O ATOM 437 CG2 THR A 29 0.654 14.648 4.209 1.00 0.00 C ATOM 0 H THR A 29 0.667 12.388 0.644 1.00 0.00 H new ATOM 0 HA THR A 29 0.686 12.024 3.576 1.00 0.00 H new ATOM 0 HB THR A 29 0.451 14.618 2.070 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.661 14.987 2.727 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.075 15.652 4.255 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.424 14.700 4.359 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.100 14.032 4.990 1.00 0.00 H new ATOM 445 N VAL A 30 -1.725 12.079 3.709 1.00 0.00 N ATOM 446 CA VAL A 30 -3.190 12.050 3.929 1.00 0.00 C ATOM 447 C VAL A 30 -3.512 11.934 5.435 1.00 0.00 C ATOM 448 O VAL A 30 -2.740 11.394 6.220 1.00 0.00 O ATOM 449 CB VAL A 30 -3.927 10.948 3.107 1.00 0.00 C ATOM 450 CG1 VAL A 30 -5.399 10.807 3.493 1.00 0.00 C ATOM 451 CG2 VAL A 30 -3.909 11.222 1.596 1.00 0.00 C ATOM 0 H VAL A 30 -1.203 11.596 4.440 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.573 13.000 3.556 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.376 10.037 3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.860 10.026 2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.475 10.542 4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.913 11.752 3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.436 10.423 1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.400 12.174 1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.878 11.264 1.246 1.00 0.00 H new ATOM 461 N ASP A 31 -4.641 12.513 5.844 1.00 0.00 N ATOM 462 CA ASP A 31 -5.155 12.620 7.230 1.00 0.00 C ATOM 463 C ASP A 31 -4.211 13.390 8.180 1.00 0.00 C ATOM 464 O ASP A 31 -4.316 13.284 9.396 1.00 0.00 O ATOM 465 CB ASP A 31 -5.524 11.190 7.795 1.00 0.00 C ATOM 466 CG ASP A 31 -6.766 10.530 7.171 1.00 0.00 C ATOM 467 OD1 ASP A 31 -7.020 9.360 7.569 1.00 0.00 O ATOM 468 OD2 ASP A 31 -7.497 11.193 6.422 1.00 0.00 O1- ATOM 0 H ASP A 31 -5.273 12.954 5.176 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.064 13.220 7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.670 10.529 7.647 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.680 11.273 8.871 1.00 0.00 H new ATOM 473 N ARG A 32 -3.251 14.137 7.609 1.00 0.00 N ATOM 474 CA ARG A 32 -2.111 14.813 8.268 1.00 0.00 C ATOM 475 C ARG A 32 -1.001 13.819 8.710 1.00 0.00 C ATOM 476 O ARG A 32 -0.062 14.210 9.401 1.00 0.00 O ATOM 477 CB ARG A 32 -2.548 15.741 9.440 1.00 0.00 C ATOM 478 CG ARG A 32 -3.589 16.801 9.015 1.00 0.00 C ATOM 479 CD ARG A 32 -3.944 17.684 10.215 1.00 0.00 C ATOM 480 NE ARG A 32 -4.628 18.926 9.813 1.00 0.00 N ATOM 481 CZ ARG A 32 -4.042 20.074 9.606 1.00 0.00 C ATOM 482 NH1 ARG A 32 -2.770 20.157 9.318 1.00 0.00 N ATOM 483 NH2 ARG A 32 -4.755 21.157 9.502 1.00 0.00 N ATOM 0 H ARG A 32 -3.247 14.298 6.602 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.677 15.459 7.505 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.965 15.132 10.242 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.670 16.244 9.845 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.190 17.413 8.206 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.485 16.312 8.633 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.583 17.125 10.898 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.034 17.933 10.761 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.639 18.885 9.687 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.206 19.310 9.250 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.341 21.069 9.162 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.771 21.109 9.582 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.298 22.055 9.340 1.00 0.00 H new ATOM 497 N LYS A 33 -1.123 12.570 8.272 1.00 0.00 N ATOM 498 CA LYS A 33 -0.105 11.533 8.337 1.00 0.00 C ATOM 499 C LYS A 33 0.493 11.396 6.951 1.00 0.00 C ATOM 500 O LYS A 33 -0.043 11.839 5.936 1.00 0.00 O ATOM 501 CB LYS A 33 -0.739 10.242 8.901 1.00 0.00 C ATOM 502 CG LYS A 33 0.348 9.185 9.144 1.00 0.00 C ATOM 503 CD LYS A 33 0.057 8.162 10.242 1.00 0.00 C ATOM 504 CE LYS A 33 -0.420 6.843 9.614 1.00 0.00 C ATOM 505 NZ LYS A 33 -1.003 5.922 10.624 1.00 0.00 N ATOM 0 H LYS A 33 -1.984 12.238 7.838 1.00 0.00 H new ATOM 0 HA LYS A 33 0.713 11.776 9.016 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.260 10.460 9.833 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.482 9.857 8.203 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.519 8.648 8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.277 9.699 9.391 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.954 7.988 10.837 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.704 8.549 10.919 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.164 7.056 8.846 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.419 6.353 9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.187 4.997 10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.336 5.805 11.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.895 6.319 10.981 1.00 0.00 H new ATOM 519 N VAL A 34 1.659 10.775 6.902 1.00 0.00 N ATOM 520 CA VAL A 34 2.290 10.316 5.674 1.00 0.00 C ATOM 521 C VAL A 34 2.296 8.803 5.664 1.00 0.00 C ATOM 522 O VAL A 34 2.475 8.186 6.702 1.00 0.00 O ATOM 523 CB VAL A 34 3.707 10.894 5.655 1.00 0.00 C ATOM 524 CG1 VAL A 34 4.671 10.236 4.658 1.00 0.00 C ATOM 525 CG2 VAL A 34 3.726 12.422 5.430 1.00 0.00 C ATOM 0 H VAL A 34 2.208 10.570 7.737 1.00 0.00 H new ATOM 0 HA VAL A 34 1.755 10.647 4.784 1.00 0.00 H new ATOM 0 HB VAL A 34 4.072 10.660 6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.647 10.718 4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.773 9.177 4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.279 10.346 3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.757 12.776 5.426 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.259 12.655 4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.176 12.915 6.232 1.00 0.00 H new ATOM 535 N TYR A 35 2.044 8.215 4.503 1.00 0.00 N ATOM 536 CA TYR A 35 2.033 6.774 4.240 1.00 0.00 C ATOM 537 C TYR A 35 2.973 6.445 3.124 1.00 0.00 C ATOM 538 O TYR A 35 3.009 7.086 2.091 1.00 0.00 O ATOM 539 CB TYR A 35 0.662 6.322 3.763 1.00 0.00 C ATOM 540 CG TYR A 35 -0.421 6.626 4.722 1.00 0.00 C ATOM 541 CD1 TYR A 35 -1.059 7.865 4.653 1.00 0.00 C ATOM 542 CD2 TYR A 35 -0.728 5.689 5.714 1.00 0.00 C ATOM 543 CE1 TYR A 35 -2.043 8.187 5.604 1.00 0.00 C ATOM 544 CE2 TYR A 35 -1.753 5.985 6.634 1.00 0.00 C ATOM 545 CZ TYR A 35 -2.420 7.236 6.581 1.00 0.00 C ATOM 546 OH TYR A 35 -3.386 7.533 7.485 1.00 0.00 O ATOM 0 H TYR A 35 1.829 8.759 3.667 1.00 0.00 H new ATOM 0 HA TYR A 35 2.314 6.281 5.171 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.440 6.803 2.810 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.685 5.248 3.580 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.799 8.570 3.877 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.189 4.755 5.774 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.511 9.160 5.589 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.032 5.257 7.382 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.522 6.768 8.082 1.00 0.00 H new ATOM 556 N LYS A 36 3.699 5.371 3.285 1.00 0.00 N ATOM 557 CA LYS A 36 4.841 5.098 2.403 1.00 0.00 C ATOM 558 C LYS A 36 4.405 4.149 1.313 1.00 0.00 C ATOM 559 O LYS A 36 3.782 3.119 1.591 1.00 0.00 O ATOM 560 CB LYS A 36 5.972 4.580 3.280 1.00 0.00 C ATOM 561 CG LYS A 36 6.276 5.402 4.556 1.00 0.00 C ATOM 562 CD LYS A 36 6.460 4.532 5.809 1.00 0.00 C ATOM 563 CE LYS A 36 7.709 3.634 5.699 1.00 0.00 C ATOM 564 NZ LYS A 36 8.044 3.003 7.000 1.00 0.00 N ATOM 0 H LYS A 36 3.536 4.668 4.006 1.00 0.00 H new ATOM 0 HA LYS A 36 5.208 5.986 1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.735 3.559 3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.879 4.533 2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.179 5.990 4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.463 6.107 4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.548 5.172 6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.576 3.911 5.954 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.536 2.859 4.952 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.555 4.227 5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.889 2.406 6.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.233 3.743 7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.246 2.417 7.317 1.00 0.00 H new ATOM 578 N THR A 37 4.609 4.522 0.039 1.00 0.00 N ATOM 579 CA THR A 37 4.034 3.886 -1.141 1.00 0.00 C ATOM 580 C THR A 37 4.927 2.716 -1.523 1.00 0.00 C ATOM 581 O THR A 37 6.133 2.797 -1.357 1.00 0.00 O ATOM 582 CB THR A 37 3.870 4.815 -2.347 1.00 0.00 C ATOM 583 OG1 THR A 37 5.070 4.960 -3.080 1.00 0.00 O ATOM 584 CG2 THR A 37 3.408 6.222 -1.955 1.00 0.00 C ATOM 0 H THR A 37 5.208 5.312 -0.199 1.00 0.00 H new ATOM 0 HA THR A 37 3.025 3.571 -0.876 1.00 0.00 H new ATOM 0 HB THR A 37 3.108 4.332 -2.959 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.262 4.128 -3.561 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.309 6.835 -2.851 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.444 6.161 -1.449 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.141 6.672 -1.286 1.00 0.00 H new ATOM 592 N ILE A 38 4.314 1.688 -2.064 1.00 0.00 N ATOM 593 CA ILE A 38 5.063 0.585 -2.703 1.00 0.00 C ATOM 594 C ILE A 38 4.923 0.642 -4.201 1.00 0.00 C ATOM 595 O ILE A 38 5.834 0.257 -4.935 1.00 0.00 O ATOM 596 CB ILE A 38 4.533 -0.782 -2.276 1.00 0.00 C ATOM 597 CG1 ILE A 38 3.882 -0.743 -0.871 1.00 0.00 C ATOM 598 CG2 ILE A 38 5.812 -1.662 -2.237 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.375 -2.118 -0.421 1.00 0.00 C ATOM 0 H ILE A 38 3.300 1.576 -2.084 1.00 0.00 H new ATOM 0 HA ILE A 38 6.101 0.707 -2.393 1.00 0.00 H new ATOM 0 HB ILE A 38 3.758 -1.147 -2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.608 -0.373 -0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.051 -0.037 -0.878 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.547 -2.676 -1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.270 -1.683 -3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.518 -1.246 -1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.928 -2.035 0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.627 -2.479 -1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.209 -2.819 -0.385 1.00 0.00 H new ATOM 611 N CYS A 39 3.727 1.036 -4.637 1.00 0.00 N ATOM 612 CA CYS A 39 3.285 0.904 -5.979 1.00 0.00 C ATOM 613 C CYS A 39 2.177 1.902 -6.184 1.00 0.00 C ATOM 614 O CYS A 39 1.370 2.141 -5.277 1.00 0.00 O ATOM 615 CB CYS A 39 2.836 -0.540 -6.245 1.00 0.00 C ATOM 616 SG CYS A 39 1.796 -1.286 -4.964 1.00 0.00 S ATOM 0 H CYS A 39 3.033 1.468 -4.026 1.00 0.00 H new ATOM 0 HA CYS A 39 4.086 1.110 -6.689 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.292 -0.564 -7.189 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.724 -1.160 -6.373 1.00 0.00 H new ATOM 0 HG CYS A 39 1.485 -2.500 -5.310 1.00 0.00 H new ATOM 622 N LYS A 40 2.120 2.462 -7.386 1.00 0.00 N ATOM 623 CA LYS A 40 0.939 3.115 -7.848 1.00 0.00 C ATOM 624 C LYS A 40 0.271 2.454 -9.060 1.00 0.00 C ATOM 625 O LYS A 40 0.926 1.846 -9.890 1.00 0.00 O ATOM 626 CB LYS A 40 1.151 4.613 -8.075 1.00 0.00 C ATOM 627 CG LYS A 40 1.856 4.952 -9.360 1.00 0.00 C ATOM 628 CD LYS A 40 1.500 6.392 -9.710 1.00 0.00 C ATOM 629 CE LYS A 40 1.481 6.470 -11.233 1.00 0.00 C ATOM 630 NZ LYS A 40 1.092 7.798 -11.771 1.00 0.00 N ATOM 0 H LYS A 40 2.894 2.467 -8.051 1.00 0.00 H new ATOM 0 HA LYS A 40 0.231 2.994 -7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.181 5.111 -8.064 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.726 5.017 -7.242 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.934 4.840 -9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.547 4.276 -10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.530 6.665 -9.295 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.231 7.085 -9.294 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.471 6.213 -11.611 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.789 5.719 -11.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.265 7.822 -12.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.082 7.965 -11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.656 8.539 -11.308 1.00 0.00 H new ATOM 644 N ARG A 41 -1.027 2.643 -9.159 1.00 0.00 N ATOM 645 CA ARG A 41 -1.724 2.460 -10.410 1.00 0.00 C ATOM 646 C ARG A 41 -2.601 3.678 -10.531 1.00 0.00 C ATOM 647 O ARG A 41 -3.491 3.975 -9.731 1.00 0.00 O ATOM 648 CB ARG A 41 -2.488 1.145 -10.404 1.00 0.00 C ATOM 649 CG ARG A 41 -3.077 0.884 -11.788 1.00 0.00 C ATOM 650 CD ARG A 41 -4.242 -0.072 -11.572 1.00 0.00 C ATOM 651 NE ARG A 41 -4.964 -0.460 -12.799 1.00 0.00 N ATOM 652 CZ ARG A 41 -6.286 -0.445 -12.979 1.00 0.00 C ATOM 653 NH1 ARG A 41 -7.152 0.217 -12.222 1.00 0.00 N ATOM 654 NH2 ARG A 41 -6.748 -1.005 -14.074 1.00 0.00 N ATOM 0 H ARG A 41 -1.623 2.925 -8.381 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.065 2.382 -11.275 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.823 0.329 -10.122 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.284 1.180 -9.660 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.414 1.812 -12.251 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.332 0.448 -12.454 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.868 -0.974 -11.088 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.949 0.390 -10.883 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.396 -0.770 -13.588 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.820 0.769 -11.431 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.149 0.174 -12.431 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.103 -1.427 -14.742 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.752 -1.018 -14.256 1.00 0.00 H new ATOM 668 N GLY A 42 -2.385 4.429 -11.599 1.00 0.00 N ATOM 669 CA GLY A 42 -3.183 5.610 -11.879 1.00 0.00 C ATOM 670 C GLY A 42 -2.941 6.736 -10.864 1.00 0.00 C ATOM 671 O GLY A 42 -1.795 7.143 -10.657 1.00 0.00 O ATOM 0 H GLY A 42 -1.659 4.239 -12.290 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.952 5.972 -12.881 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.239 5.341 -11.873 1.00 0.00 H new ATOM 675 N ASN A 43 -4.052 7.196 -10.286 1.00 0.00 N ATOM 676 CA ASN A 43 -4.088 8.113 -9.147 1.00 0.00 C ATOM 677 C ASN A 43 -4.247 7.388 -7.796 1.00 0.00 C ATOM 678 O ASN A 43 -4.678 8.010 -6.837 1.00 0.00 O ATOM 679 CB ASN A 43 -5.139 9.195 -9.431 1.00 0.00 C ATOM 680 CG ASN A 43 -6.638 8.783 -9.392 1.00 0.00 C ATOM 681 OD1 ASN A 43 -7.029 7.590 -8.993 1.00 0.00 O flip ATOM 682 ND2 ASN A 43 -7.477 9.593 -9.763 1.00 0.00 N flip ATOM 0 H ASN A 43 -4.982 6.931 -10.609 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.124 8.609 -9.037 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.994 9.999 -8.709 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.932 9.611 -10.417 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.188 10.520 -10.074 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.465 9.341 -9.761 1.00 0.00 H new ATOM 689 N THR A 44 -3.992 6.078 -7.775 1.00 0.00 N ATOM 690 CA THR A 44 -3.937 5.295 -6.521 1.00 0.00 C ATOM 691 C THR A 44 -2.563 4.722 -6.262 1.00 0.00 C ATOM 692 O THR A 44 -1.843 4.399 -7.194 1.00 0.00 O ATOM 693 CB THR A 44 -5.064 4.260 -6.428 1.00 0.00 C ATOM 694 OG1 THR A 44 -5.129 3.775 -5.128 1.00 0.00 O ATOM 695 CG2 THR A 44 -5.052 3.097 -7.413 1.00 0.00 C ATOM 0 H THR A 44 -3.818 5.526 -8.615 1.00 0.00 H new ATOM 0 HA THR A 44 -4.119 5.992 -5.703 1.00 0.00 H new ATOM 0 HB THR A 44 -5.953 4.818 -6.720 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.951 4.094 -4.701 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.909 2.451 -7.224 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.106 3.482 -8.431 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.132 2.525 -7.289 1.00 0.00 H new ATOM 703 N TYR A 45 -2.170 4.611 -5.000 1.00 0.00 N ATOM 704 CA TYR A 45 -0.860 4.402 -4.453 1.00 0.00 C ATOM 705 C TYR A 45 -1.200 3.566 -3.234 1.00 0.00 C ATOM 706 O TYR A 45 -1.879 3.997 -2.293 1.00 0.00 O ATOM 707 CB TYR A 45 -0.170 5.666 -3.949 1.00 0.00 C ATOM 708 CG TYR A 45 0.345 6.575 -5.023 1.00 0.00 C ATOM 709 CD1 TYR A 45 1.721 6.656 -5.306 1.00 0.00 C ATOM 710 CD2 TYR A 45 -0.573 7.350 -5.733 1.00 0.00 C ATOM 711 CE1 TYR A 45 2.199 7.597 -6.226 1.00 0.00 C ATOM 712 CE2 TYR A 45 -0.117 8.255 -6.707 1.00 0.00 C ATOM 713 CZ TYR A 45 1.273 8.408 -6.934 1.00 0.00 C ATOM 714 OH TYR A 45 1.689 9.327 -7.841 1.00 0.00 O ATOM 0 H TYR A 45 -2.860 4.675 -4.252 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.183 3.984 -5.198 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.872 6.223 -3.328 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.663 5.377 -3.308 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.412 5.989 -4.811 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.630 7.255 -5.535 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.260 7.705 -6.395 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.825 8.833 -7.282 1.00 0.00 H new ATOM 0 HH TYR A 45 0.911 9.784 -8.224 1.00 0.00 H new ATOM 724 N LEU A 46 -0.813 2.318 -3.316 1.00 0.00 N ATOM 725 CA LEU A 46 -0.910 1.413 -2.207 1.00 0.00 C ATOM 726 C LEU A 46 0.256 1.780 -1.285 1.00 0.00 C ATOM 727 O LEU A 46 1.426 1.821 -1.706 1.00 0.00 O ATOM 728 CB LEU A 46 -0.754 0.023 -2.793 1.00 0.00 C ATOM 729 CG LEU A 46 -1.802 -1.073 -2.492 1.00 0.00 C ATOM 730 CD1 LEU A 46 -2.278 -1.424 -1.077 1.00 0.00 C ATOM 731 CD2 LEU A 46 -3.091 -0.709 -3.208 1.00 0.00 C ATOM 0 H LEU A 46 -0.420 1.902 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.845 1.459 -1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.705 0.133 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.214 -0.358 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.221 -1.942 -2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.015 -2.225 -1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.428 -1.751 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.729 -0.545 -0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.845 -1.470 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.446 0.257 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.908 -0.652 -4.281 1.00 0.00 H new ATOM 743 N CYS A 47 -0.059 2.054 -0.021 1.00 0.00 N ATOM 744 CA CYS A 47 0.894 2.502 0.977 1.00 0.00 C ATOM 745 C CYS A 47 0.787 1.688 2.259 1.00 0.00 C ATOM 746 O CYS A 47 -0.131 0.891 2.420 1.00 0.00 O ATOM 747 CB CYS A 47 0.660 3.986 1.276 1.00 0.00 C ATOM 748 SG CYS A 47 0.490 4.989 -0.216 1.00 0.00 S ATOM 0 H CYS A 47 -1.009 1.967 0.341 1.00 0.00 H new ATOM 0 HA CYS A 47 1.898 2.359 0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.240 4.091 1.882 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.491 4.367 1.870 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.519 4.560 -0.915 1.00 0.00 H new ATOM 754 N PHE A 48 1.716 1.906 3.179 1.00 0.00 N ATOM 755 CA PHE A 48 1.827 1.105 4.390 1.00 0.00 C ATOM 756 C PHE A 48 2.206 1.892 5.616 1.00 0.00 C ATOM 757 O PHE A 48 2.904 2.903 5.537 1.00 0.00 O ATOM 758 CB PHE A 48 2.810 -0.038 4.138 1.00 0.00 C ATOM 759 CG PHE A 48 4.265 0.296 4.089 1.00 0.00 C ATOM 760 CD1 PHE A 48 5.030 0.170 5.250 1.00 0.00 C ATOM 761 CD2 PHE A 48 4.871 0.573 2.857 1.00 0.00 C ATOM 762 CE1 PHE A 48 6.425 0.296 5.185 1.00 0.00 C ATOM 763 CE2 PHE A 48 6.264 0.705 2.779 1.00 0.00 C ATOM 764 CZ PHE A 48 7.048 0.550 3.946 1.00 0.00 C ATOM 0 H PHE A 48 2.415 2.645 3.107 1.00 0.00 H new ATOM 0 HA PHE A 48 0.835 0.711 4.611 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.663 -0.785 4.918 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.542 -0.509 3.192 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.548 -0.024 6.197 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.266 0.685 1.969 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.020 0.199 6.081 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.736 0.924 1.833 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.124 0.626 3.888 1.00 0.00 H new ATOM 774 N ASP A 49 1.783 1.356 6.764 1.00 0.00 N ATOM 775 CA ASP A 49 2.310 1.764 8.075 1.00 0.00 C ATOM 776 C ASP A 49 2.881 0.533 8.814 1.00 0.00 C ATOM 777 O ASP A 49 3.152 -0.518 8.244 1.00 0.00 O ATOM 778 CB ASP A 49 1.223 2.359 8.995 1.00 0.00 C ATOM 779 CG ASP A 49 0.461 3.609 8.560 1.00 0.00 C ATOM 780 OD1 ASP A 49 -0.655 3.771 9.096 1.00 0.00 O ATOM 781 OD2 ASP A 49 1.044 4.504 7.909 1.00 0.00 O1- ATOM 0 H ASP A 49 1.069 0.630 6.814 1.00 0.00 H new ATOM 0 HA ASP A 49 3.070 2.519 7.874 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.487 1.576 9.177 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.694 2.582 9.952 1.00 0.00 H new ATOM 786 N ASP A 50 2.970 0.637 10.134 1.00 0.00 N ATOM 787 CA ASP A 50 3.554 -0.360 11.031 1.00 0.00 C ATOM 788 C ASP A 50 2.656 -1.548 11.355 1.00 0.00 C ATOM 789 O ASP A 50 2.979 -2.448 12.129 1.00 0.00 O ATOM 790 CB ASP A 50 3.953 0.329 12.310 1.00 0.00 C ATOM 791 CG ASP A 50 4.830 1.525 12.043 1.00 0.00 C ATOM 792 OD1 ASP A 50 5.970 1.316 11.562 1.00 0.00 O ATOM 793 OD2 ASP A 50 4.441 2.667 12.224 1.00 0.00 O1- ATOM 0 H ASP A 50 2.622 1.455 10.634 1.00 0.00 H new ATOM 0 HA ASP A 50 4.408 -0.784 10.502 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.059 0.645 12.848 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.481 -0.374 12.954 1.00 0.00 H new ATOM 798 N THR A 51 1.448 -1.520 10.788 1.00 0.00 N ATOM 799 CA THR A 51 0.243 -2.249 11.256 1.00 0.00 C ATOM 800 C THR A 51 -0.461 -3.039 10.141 1.00 0.00 C ATOM 801 O THR A 51 -1.079 -4.076 10.420 1.00 0.00 O ATOM 802 CB THR A 51 -0.806 -1.225 11.704 1.00 0.00 C ATOM 803 OG1 THR A 51 -0.969 -0.247 10.693 1.00 0.00 O ATOM 804 CG2 THR A 51 -0.415 -0.482 12.960 1.00 0.00 C ATOM 0 H THR A 51 1.263 -0.967 9.951 1.00 0.00 H new ATOM 0 HA THR A 51 0.589 -2.924 12.039 1.00 0.00 H new ATOM 0 HB THR A 51 -1.717 -1.791 11.896 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.641 0.408 10.977 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.200 0.227 13.223 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.280 -1.192 13.776 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.517 0.056 12.789 1.00 0.00 H new ATOM 812 N ASN A 52 -0.366 -2.541 8.906 1.00 0.00 N ATOM 813 CA ASN A 52 -1.326 -2.662 7.843 1.00 0.00 C ATOM 814 C ASN A 52 -1.000 -1.667 6.714 1.00 0.00 C ATOM 815 O ASN A 52 0.055 -1.041 6.675 1.00 0.00 O ATOM 816 CB ASN A 52 -2.824 -2.661 8.251 1.00 0.00 C ATOM 817 CG ASN A 52 -3.401 -1.398 8.886 1.00 0.00 C ATOM 818 OD1 ASN A 52 -3.949 -1.401 9.994 1.00 0.00 O ATOM 819 ND2 ASN A 52 -3.437 -0.283 8.171 1.00 0.00 N ATOM 0 H ASN A 52 0.452 -2.005 8.617 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.207 -3.679 7.469 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.411 -2.883 7.360 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.979 -3.484 8.948 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.908 0.544 8.539 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.993 -0.251 7.253 1.00 0.00 H new ATOM 826 N LEU A 53 -1.909 -1.614 5.747 1.00 0.00 N ATOM 827 CA LEU A 53 -1.772 -1.024 4.438 1.00 0.00 C ATOM 828 C LEU A 53 -2.950 -0.091 4.197 1.00 0.00 C ATOM 829 O LEU A 53 -3.942 -0.170 4.936 1.00 0.00 O ATOM 830 CB LEU A 53 -1.762 -2.206 3.469 1.00 0.00 C ATOM 831 CG LEU A 53 -0.491 -3.037 3.669 1.00 0.00 C ATOM 832 CD1 LEU A 53 -0.460 -4.208 2.751 1.00 0.00 C ATOM 833 CD2 LEU A 53 0.770 -2.247 3.386 1.00 0.00 C ATOM 0 H LEU A 53 -2.836 -2.019 5.879 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.868 -0.427 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.642 -2.828 3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.812 -1.845 2.442 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.517 -3.347 4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.455 -4.777 2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.324 -4.844 2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.488 -3.861 1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.641 -2.883 3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.757 -1.898 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.821 -1.390 4.058 1.00 0.00 H new ATOM 845 N TYR A 54 -2.868 0.757 3.172 1.00 0.00 N ATOM 846 CA TYR A 54 -3.893 1.735 2.865 1.00 0.00 C ATOM 847 C TYR A 54 -3.807 2.028 1.363 1.00 0.00 C ATOM 848 O TYR A 54 -2.706 2.261 0.861 1.00 0.00 O ATOM 849 CB TYR A 54 -3.815 3.060 3.650 1.00 0.00 C ATOM 850 CG TYR A 54 -3.573 2.992 5.159 1.00 0.00 C ATOM 851 CD1 TYR A 54 -4.561 3.494 6.024 1.00 0.00 C ATOM 852 CD2 TYR A 54 -2.399 2.441 5.722 1.00 0.00 C ATOM 853 CE1 TYR A 54 -4.415 3.428 7.409 1.00 0.00 C ATOM 854 CE2 TYR A 54 -2.306 2.233 7.111 1.00 0.00 C ATOM 855 CZ TYR A 54 -3.319 2.737 7.969 1.00 0.00 C ATOM 856 OH TYR A 54 -3.316 2.485 9.310 1.00 0.00 O ATOM 0 H TYR A 54 -2.077 0.779 2.529 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.844 1.296 3.168 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -3.018 3.661 3.212 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.748 3.600 3.486 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.452 3.940 5.607 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.569 2.178 5.083 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.139 3.905 8.052 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.467 1.692 7.523 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.482 2.818 9.704 1.00 0.00 H new ATOM 866 N ALA A 55 -4.931 2.031 0.634 1.00 0.00 N ATOM 867 CA ALA A 55 -4.935 2.499 -0.748 1.00 0.00 C ATOM 868 C ALA A 55 -5.348 3.958 -0.732 1.00 0.00 C ATOM 869 O ALA A 55 -6.524 4.280 -0.561 1.00 0.00 O ATOM 870 CB ALA A 55 -5.865 1.608 -1.578 1.00 0.00 C ATOM 0 H ALA A 55 -5.838 1.717 0.979 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.952 2.432 -1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.872 1.953 -2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.510 0.578 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.875 1.658 -1.172 1.00 0.00 H new ATOM 876 N ILE A 56 -4.373 4.859 -0.922 1.00 0.00 N ATOM 877 CA ILE A 56 -4.675 6.272 -1.096 1.00 0.00 C ATOM 878 C ILE A 56 -4.995 6.476 -2.570 1.00 0.00 C ATOM 879 O ILE A 56 -4.125 6.303 -3.417 1.00 0.00 O ATOM 880 CB ILE A 56 -3.603 7.230 -0.587 1.00 0.00 C ATOM 881 CG1 ILE A 56 -3.518 7.251 0.954 1.00 0.00 C ATOM 882 CG2 ILE A 56 -3.968 8.653 -1.052 1.00 0.00 C ATOM 883 CD1 ILE A 56 -2.526 6.266 1.565 1.00 0.00 C ATOM 0 H ILE A 56 -3.380 4.629 -0.958 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.529 6.527 -0.468 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.643 6.895 -0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.249 8.258 1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.508 7.043 1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.214 9.356 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.008 8.681 -2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.941 8.930 -0.646 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.542 6.360 2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.803 5.250 1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.523 6.484 1.197 1.00 0.00 H new ATOM 895 N THR A 57 -6.242 6.844 -2.837 1.00 0.00 N ATOM 896 CA THR A 57 -6.775 7.132 -4.169 1.00 0.00 C ATOM 897 C THR A 57 -7.121 8.616 -4.190 1.00 0.00 C ATOM 898 O THR A 57 -8.050 9.031 -3.488 1.00 0.00 O ATOM 899 CB THR A 57 -7.981 6.222 -4.439 1.00 0.00 C ATOM 900 OG1 THR A 57 -7.596 4.879 -4.230 1.00 0.00 O ATOM 901 CG2 THR A 57 -8.439 6.353 -5.890 1.00 0.00 C ATOM 0 H THR A 57 -6.941 6.955 -2.103 1.00 0.00 H new ATOM 0 HA THR A 57 -6.059 6.929 -4.965 1.00 0.00 H new ATOM 0 HB THR A 57 -8.791 6.513 -3.770 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.361 4.290 -4.399 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.295 5.700 -6.062 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.725 7.386 -6.090 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.625 6.067 -6.556 1.00 0.00 H new ATOM 909 N GLY A 58 -6.301 9.420 -4.868 1.00 0.00 N ATOM 910 CA GLY A 58 -6.327 10.863 -4.723 1.00 0.00 C ATOM 911 C GLY A 58 -5.925 11.268 -3.299 1.00 0.00 C ATOM 912 O GLY A 58 -4.735 11.359 -2.986 1.00 0.00 O ATOM 0 H GLY A 58 -5.603 9.083 -5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.647 11.319 -5.443 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.326 11.239 -4.946 1.00 0.00 H new ATOM 916 N ASP A 59 -6.936 11.501 -2.456 1.00 0.00 N ATOM 917 CA ASP A 59 -6.795 11.791 -1.023 1.00 0.00 C ATOM 918 C ASP A 59 -7.739 10.930 -0.180 1.00 0.00 C ATOM 919 O ASP A 59 -7.918 11.168 1.008 1.00 0.00 O ATOM 920 CB ASP A 59 -6.817 13.329 -0.751 1.00 0.00 C ATOM 921 CG ASP A 59 -7.846 14.140 -1.566 1.00 0.00 C ATOM 922 OD1 ASP A 59 -8.947 14.303 -1.175 1.00 0.00 O ATOM 923 OD2 ASP A 59 -7.308 14.784 -2.616 1.00 0.00 O1- ATOM 0 H ASP A 59 -7.909 11.493 -2.762 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.806 11.485 -0.682 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.014 13.489 0.309 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.824 13.729 -0.954 1.00 0.00 H new ATOM 928 N VAL A 60 -8.279 9.871 -0.775 1.00 0.00 N ATOM 929 CA VAL A 60 -9.164 8.876 -0.111 1.00 0.00 C ATOM 930 C VAL A 60 -8.202 7.779 0.380 1.00 0.00 C ATOM 931 O VAL A 60 -7.739 6.953 -0.396 1.00 0.00 O ATOM 932 CB VAL A 60 -10.206 8.253 -1.064 1.00 0.00 C ATOM 933 CG1 VAL A 60 -10.918 7.041 -0.454 1.00 0.00 C ATOM 934 CG2 VAL A 60 -11.113 9.305 -1.668 1.00 0.00 C ATOM 0 H VAL A 60 -8.118 9.661 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.743 9.352 0.681 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.671 7.830 -1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.639 6.645 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.185 6.271 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.438 7.344 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.832 8.827 -2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.645 9.827 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.515 10.019 -2.234 1.00 0.00 H new ATOM 944 N VAL A 61 -7.947 7.779 1.668 1.00 0.00 N ATOM 945 CA VAL A 61 -7.198 6.703 2.339 1.00 0.00 C ATOM 946 C VAL A 61 -8.131 5.557 2.735 1.00 0.00 C ATOM 947 O VAL A 61 -8.978 5.637 3.627 1.00 0.00 O ATOM 948 CB VAL A 61 -6.387 7.283 3.511 1.00 0.00 C ATOM 949 CG1 VAL A 61 -7.237 7.866 4.655 1.00 0.00 C ATOM 950 CG2 VAL A 61 -5.409 6.255 4.042 1.00 0.00 C ATOM 0 H VAL A 61 -8.249 8.523 2.297 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.476 6.265 1.649 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.844 8.131 3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.581 8.251 5.436 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.858 8.675 4.271 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.874 7.085 5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.845 6.684 4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.956 5.379 4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.722 5.962 3.248 1.00 0.00 H new ATOM 960 N LEU A 62 -7.946 4.431 2.059 1.00 0.00 N ATOM 961 CA LEU A 62 -8.662 3.205 2.317 1.00 0.00 C ATOM 962 C LEU A 62 -7.773 2.234 3.093 1.00 0.00 C ATOM 963 O LEU A 62 -7.042 1.421 2.551 1.00 0.00 O ATOM 964 CB LEU A 62 -9.217 2.695 0.986 1.00 0.00 C ATOM 965 CG LEU A 62 -9.691 1.201 0.963 1.00 0.00 C ATOM 966 CD1 LEU A 62 -10.262 0.617 2.278 1.00 0.00 C ATOM 967 CD2 LEU A 62 -10.846 1.146 -0.034 1.00 0.00 C ATOM 0 H LEU A 62 -7.273 4.351 1.296 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.524 3.349 2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.059 3.326 0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.450 2.823 0.223 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.800 0.616 0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.550 -0.422 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.503 0.668 3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.135 1.193 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.224 0.126 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.645 1.809 0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.495 1.464 -1.016 1.00 0.00 H new ATOM 979 N LYS A 63 -7.839 2.342 4.409 1.00 0.00 N ATOM 980 CA LYS A 63 -7.155 1.411 5.335 1.00 0.00 C ATOM 981 C LYS A 63 -7.603 -0.051 5.186 1.00 0.00 C ATOM 982 O LYS A 63 -8.786 -0.394 5.252 1.00 0.00 O ATOM 983 CB LYS A 63 -7.195 1.906 6.793 1.00 0.00 C ATOM 984 CG LYS A 63 -8.340 1.483 7.740 1.00 0.00 C ATOM 985 CD LYS A 63 -7.871 1.259 9.194 1.00 0.00 C ATOM 986 CE LYS A 63 -6.821 0.140 9.257 1.00 0.00 C ATOM 987 NZ LYS A 63 -6.502 -0.316 10.628 1.00 0.00 N ATOM 0 H LYS A 63 -8.367 3.076 4.882 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.107 1.413 5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.261 1.597 7.262 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.191 2.996 6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.115 2.249 7.728 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.793 0.565 7.365 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.451 2.182 9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.724 1.000 9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.178 -0.711 8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.905 0.489 8.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.560 -0.756 10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.510 0.498 11.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.212 -1.011 10.937 1.00 0.00 H new ATOM 1001 N PHE A 64 -6.648 -0.976 5.112 1.00 0.00 N ATOM 1002 CA PHE A 64 -6.888 -2.398 5.172 1.00 0.00 C ATOM 1003 C PHE A 64 -6.802 -2.854 6.630 1.00 0.00 C ATOM 1004 O PHE A 64 -5.947 -2.402 7.373 1.00 0.00 O ATOM 1005 CB PHE A 64 -5.899 -3.069 4.241 1.00 0.00 C ATOM 1006 CG PHE A 64 -6.107 -2.699 2.780 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -5.159 -1.910 2.109 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -7.298 -3.049 2.118 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -5.369 -1.513 0.784 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -7.503 -2.665 0.785 1.00 0.00 C ATOM 1011 CZ PHE A 64 -6.534 -1.901 0.112 1.00 0.00 C ATOM 0 H PHE A 64 -5.661 -0.740 5.006 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.886 -2.677 4.834 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.887 -2.795 4.538 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.982 -4.150 4.351 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.258 -1.606 2.621 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.057 -3.615 2.638 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.632 -0.907 0.279 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.408 -2.957 0.274 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.687 -1.615 -0.918 1.00 0.00 H new ATOM 1021 N ALA A 65 -7.662 -3.780 7.054 1.00 0.00 N ATOM 1022 CA ALA A 65 -7.554 -4.456 8.356 1.00 0.00 C ATOM 1023 C ALA A 65 -6.376 -5.423 8.445 1.00 0.00 C ATOM 1024 O ALA A 65 -6.145 -5.996 9.499 1.00 0.00 O ATOM 1025 CB ALA A 65 -8.858 -5.216 8.586 1.00 0.00 C ATOM 0 H ALA A 65 -8.462 -4.088 6.502 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.378 -3.698 9.119 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.814 -5.732 9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.692 -4.515 8.589 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.000 -5.945 7.788 1.00 0.00 H new ATOM 1031 N THR A 66 -5.671 -5.694 7.341 1.00 0.00 N ATOM 1032 CA THR A 66 -4.692 -6.760 7.194 1.00 0.00 C ATOM 1033 C THR A 66 -3.798 -6.311 6.118 1.00 0.00 C ATOM 1034 O THR A 66 -4.085 -5.424 5.320 1.00 0.00 O ATOM 1035 CB THR A 66 -5.298 -8.091 6.714 1.00 0.00 C ATOM 1036 OG1 THR A 66 -6.674 -8.110 6.923 1.00 0.00 O ATOM 1037 CG2 THR A 66 -4.779 -9.314 7.459 1.00 0.00 C ATOM 0 H THR A 66 -5.778 -5.145 6.488 1.00 0.00 H new ATOM 0 HA THR A 66 -4.222 -6.938 8.161 1.00 0.00 H new ATOM 0 HB THR A 66 -5.017 -8.144 5.662 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.041 -8.963 6.610 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.254 -10.211 7.062 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.699 -9.388 7.329 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.012 -9.220 8.520 1.00 0.00 H new ATOM 1045 N VAL A 67 -2.756 -7.090 6.023 1.00 0.00 N ATOM 1046 CA VAL A 67 -1.870 -7.000 4.921 1.00 0.00 C ATOM 1047 C VAL A 67 -2.387 -7.779 3.683 1.00 0.00 C ATOM 1048 O VAL A 67 -2.284 -7.273 2.571 1.00 0.00 O ATOM 1049 CB VAL A 67 -0.534 -7.602 5.317 1.00 0.00 C ATOM 1050 CG1 VAL A 67 0.398 -6.689 4.583 1.00 0.00 C ATOM 1051 CG2 VAL A 67 0.029 -7.626 6.715 1.00 0.00 C ATOM 0 H VAL A 67 -2.507 -7.800 6.711 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.784 -5.946 4.657 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.659 -8.668 5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.428 -6.995 4.768 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.191 -6.740 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.255 -5.666 4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.001 -8.119 6.707 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.143 -6.605 7.079 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.649 -8.171 7.371 1.00 0.00 H new ATOM 1061 N SER A 68 -2.962 -8.968 3.882 1.00 0.00 N ATOM 1062 CA SER A 68 -3.483 -9.795 2.772 1.00 0.00 C ATOM 1063 C SER A 68 -4.494 -9.037 1.919 1.00 0.00 C ATOM 1064 O SER A 68 -4.509 -9.166 0.694 1.00 0.00 O ATOM 1065 CB SER A 68 -4.109 -11.077 3.324 1.00 0.00 C ATOM 1066 OG SER A 68 -5.079 -10.782 4.324 1.00 0.00 O ATOM 0 H SER A 68 -3.082 -9.388 4.804 1.00 0.00 H new ATOM 0 HA SER A 68 -2.642 -10.050 2.127 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.576 -11.636 2.513 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.331 -11.714 3.744 1.00 0.00 H new ATOM 0 HG SER A 68 -5.466 -11.617 4.660 1.00 0.00 H new ATOM 1072 N LYS A 69 -5.301 -8.154 2.538 1.00 0.00 N ATOM 1073 CA LYS A 69 -6.324 -7.389 1.853 1.00 0.00 C ATOM 1074 C LYS A 69 -5.781 -6.598 0.664 1.00 0.00 C ATOM 1075 O LYS A 69 -6.318 -6.689 -0.437 1.00 0.00 O ATOM 1076 CB LYS A 69 -6.884 -6.357 2.833 1.00 0.00 C ATOM 1077 CG LYS A 69 -7.252 -6.818 4.249 1.00 0.00 C ATOM 1078 CD LYS A 69 -8.708 -6.510 4.536 1.00 0.00 C ATOM 1079 CE LYS A 69 -9.464 -7.685 3.890 1.00 0.00 C ATOM 1080 NZ LYS A 69 -10.822 -7.345 3.413 1.00 0.00 N ATOM 0 H LYS A 69 -5.249 -7.960 3.538 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.068 -8.100 1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.151 -5.555 2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.777 -5.923 2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.072 -7.888 4.349 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.616 -6.318 4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.901 -6.450 5.607 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.008 -5.555 4.104 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.880 -8.060 3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.538 -8.496 4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.263 -8.188 2.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.399 -7.015 4.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.760 -6.593 2.698 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.685 -5.883 0.910 1.00 0.00 N ATOM 1095 CA ALA A 70 -3.995 -5.089 -0.082 1.00 0.00 C ATOM 1096 C ALA A 70 -3.529 -5.902 -1.297 1.00 0.00 C ATOM 1097 O ALA A 70 -3.442 -5.370 -2.399 1.00 0.00 O ATOM 1098 CB ALA A 70 -2.801 -4.478 0.612 1.00 0.00 C ATOM 0 H ALA A 70 -4.248 -5.845 1.831 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.681 -4.339 -0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.243 -3.866 -0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.140 -3.856 1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.157 -5.270 0.993 1.00 0.00 H new ATOM 1104 N ARG A 71 -3.247 -7.201 -1.127 1.00 0.00 N ATOM 1105 CA ARG A 71 -2.795 -8.052 -2.246 1.00 0.00 C ATOM 1106 C ARG A 71 -3.944 -8.353 -3.181 1.00 0.00 C ATOM 1107 O ARG A 71 -3.832 -8.298 -4.399 1.00 0.00 O ATOM 1108 CB ARG A 71 -2.147 -9.335 -1.689 1.00 0.00 C ATOM 1109 CG ARG A 71 -1.240 -10.016 -2.729 1.00 0.00 C ATOM 1110 CD ARG A 71 0.105 -10.473 -2.144 1.00 0.00 C ATOM 1111 NE ARG A 71 -0.023 -11.527 -1.127 1.00 0.00 N ATOM 1112 CZ ARG A 71 0.961 -11.901 -0.324 1.00 0.00 C ATOM 1113 NH1 ARG A 71 2.179 -11.435 -0.437 1.00 0.00 N ATOM 1114 NH2 ARG A 71 0.815 -12.896 0.504 1.00 0.00 N ATOM 0 H ARG A 71 -3.322 -7.687 -0.233 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.042 -7.522 -2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.563 -9.091 -0.802 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.927 -10.030 -1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.760 -10.878 -3.147 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.056 -9.324 -3.551 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.739 -10.836 -2.953 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.611 -9.614 -1.703 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.923 -11.998 -1.035 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.400 -10.756 -1.166 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.907 -11.751 0.204 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.070 -13.402 0.542 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.585 -13.169 1.114 1.00 0.00 H new ATOM 1128 N ALA A 72 -5.092 -8.648 -2.586 1.00 0.00 N ATOM 1129 CA ALA A 72 -6.346 -8.843 -3.288 1.00 0.00 C ATOM 1130 C ALA A 72 -6.929 -7.488 -3.814 1.00 0.00 C ATOM 1131 O ALA A 72 -7.574 -7.540 -4.854 1.00 0.00 O ATOM 1132 CB ALA A 72 -7.218 -9.604 -2.261 1.00 0.00 C ATOM 0 H ALA A 72 -5.175 -8.760 -1.576 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.265 -9.419 -4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.198 -9.804 -2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.736 -10.547 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.335 -8.998 -1.363 1.00 0.00 H new ATOM 1138 N TYR A 73 -6.509 -6.357 -3.220 1.00 0.00 N ATOM 1139 CA TYR A 73 -6.776 -5.006 -3.723 1.00 0.00 C ATOM 1140 C TYR A 73 -6.070 -4.740 -5.047 1.00 0.00 C ATOM 1141 O TYR A 73 -6.641 -4.215 -5.993 1.00 0.00 O ATOM 1142 CB TYR A 73 -6.426 -3.924 -2.703 1.00 0.00 C ATOM 1143 CG TYR A 73 -7.038 -2.640 -3.195 1.00 0.00 C ATOM 1144 CD1 TYR A 73 -6.358 -1.823 -4.117 1.00 0.00 C ATOM 1145 CD2 TYR A 73 -8.385 -2.375 -2.919 1.00 0.00 C ATOM 1146 CE1 TYR A 73 -7.033 -0.811 -4.824 1.00 0.00 C ATOM 1147 CE2 TYR A 73 -9.083 -1.363 -3.616 1.00 0.00 C ATOM 1148 CZ TYR A 73 -8.420 -0.617 -4.616 1.00 0.00 C ATOM 1149 OH TYR A 73 -9.122 0.210 -5.439 1.00 0.00 O ATOM 0 H TYR A 73 -5.963 -6.361 -2.358 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.851 -4.959 -3.897 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.814 -4.183 -1.718 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.345 -3.823 -2.604 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.302 -1.975 -4.285 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.897 -2.952 -2.163 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.496 -0.185 -5.522 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.119 -1.161 -3.385 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.036 -0.129 -5.541 1.00 0.00 H new ATOM 1159 N LEU A 74 -4.801 -5.122 -5.088 1.00 0.00 N ATOM 1160 CA LEU A 74 -3.960 -4.941 -6.245 1.00 0.00 C ATOM 1161 C LEU A 74 -4.569 -5.421 -7.548 1.00 0.00 C ATOM 1162 O LEU A 74 -4.286 -4.880 -8.604 1.00 0.00 O ATOM 1163 CB LEU A 74 -2.585 -5.553 -5.908 1.00 0.00 C ATOM 1164 CG LEU A 74 -1.412 -4.575 -5.895 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -1.699 -3.356 -5.042 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -0.191 -5.247 -5.294 1.00 0.00 C ATOM 0 H LEU A 74 -4.328 -5.572 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.841 -3.877 -6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.649 -6.028 -4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.371 -6.340 -6.631 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.246 -4.272 -6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.838 -2.688 -5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.572 -2.835 -5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.893 -3.668 -4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.644 -4.546 -5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.413 -5.558 -4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.074 -6.120 -5.890 1.00 0.00 H new ATOM 1178 N GLU A 75 -5.396 -6.462 -7.486 1.00 0.00 N ATOM 1179 CA GLU A 75 -6.220 -6.962 -8.611 1.00 0.00 C ATOM 1180 C GLU A 75 -7.749 -6.696 -8.523 1.00 0.00 C ATOM 1181 O GLU A 75 -8.421 -6.882 -9.549 1.00 0.00 O ATOM 1182 CB GLU A 75 -5.959 -8.479 -8.800 1.00 0.00 C ATOM 1183 CG GLU A 75 -5.832 -9.334 -7.503 1.00 0.00 C ATOM 1184 CD GLU A 75 -5.617 -10.809 -7.877 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -6.543 -11.611 -7.476 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -4.628 -11.093 -8.537 1.00 0.00 O1- ATOM 0 H GLU A 75 -5.523 -7.005 -6.632 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.898 -6.379 -9.474 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.769 -8.891 -9.401 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.042 -8.597 -9.377 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.998 -8.976 -6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.732 -9.229 -6.897 1.00 0.00 H new ATOM 1193 N THR A 76 -8.260 -6.161 -7.395 1.00 0.00 N ATOM 1194 CA THR A 76 -9.687 -5.972 -7.148 1.00 0.00 C ATOM 1195 C THR A 76 -9.936 -4.611 -6.512 1.00 0.00 C ATOM 1196 O THR A 76 -9.581 -4.357 -5.377 1.00 0.00 O ATOM 1197 CB THR A 76 -10.292 -7.091 -6.315 1.00 0.00 C ATOM 1198 OG1 THR A 76 -10.057 -8.341 -6.919 1.00 0.00 O ATOM 1199 CG2 THR A 76 -11.788 -6.848 -6.264 1.00 0.00 C ATOM 0 H THR A 76 -7.674 -5.846 -6.622 1.00 0.00 H new ATOM 0 HA THR A 76 -10.191 -6.006 -8.114 1.00 0.00 H new ATOM 0 HB THR A 76 -9.847 -7.100 -5.320 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.452 -9.050 -6.369 1.00 0.00 H new ATOM 0 HG21 THR A 76 -12.264 -7.631 -5.674 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.984 -5.879 -5.806 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.193 -6.860 -7.276 1.00 0.00 H new ATOM 1207 N LYS A 77 -10.630 -3.817 -7.308 1.00 0.00 N ATOM 1208 CA LYS A 77 -10.904 -2.380 -7.255 1.00 0.00 C ATOM 1209 C LYS A 77 -11.939 -1.969 -6.205 1.00 0.00 C ATOM 1210 O LYS A 77 -11.707 -0.943 -5.527 1.00 0.00 O ATOM 1211 CB LYS A 77 -11.355 -1.928 -8.642 1.00 0.00 C ATOM 1212 CG LYS A 77 -10.355 -2.028 -9.796 1.00 0.00 C ATOM 1213 CD LYS A 77 -9.811 -3.443 -10.044 1.00 0.00 C ATOM 1214 CE LYS A 77 -9.348 -3.723 -11.490 1.00 0.00 C ATOM 1215 NZ LYS A 77 -8.735 -5.078 -11.592 1.00 0.00 N ATOM 1216 OXT LYS A 77 -12.987 -2.635 -6.072 1.00 0.00 O1- ATOM 0 H LYS A 77 -11.083 -4.221 -8.128 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.980 -1.889 -6.950 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.235 -2.512 -8.913 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.673 -0.888 -8.566 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.834 -1.671 -10.708 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.518 -1.360 -9.594 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.972 -3.616 -9.370 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.585 -4.164 -9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.197 -3.650 -12.170 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.626 -2.967 -11.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.740 -4.988 -11.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.785 -5.552 -10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.251 -5.640 -12.298 1.00 0.00 H new TER 1230 LYS A 77