USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 732 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 80 GLN : amide:sc= 0.59 K(o=1.2,f=-7.2!) USER MOD Set 1.2: A 87 THR OG1 : rot -129:sc= 0.657 USER MOD Set 2.1: A 34 GLN :FLIP amide:sc= -3.58! C(o=-5.7!,f=-3.6!) USER MOD Set 2.2: A 37 TYR OH : rot -121:sc= 0.305 USER MOD Set 2.3: A 88 GLN :FLIP amide:sc= -0.374 F(o=-5.4!,f=-3.6) USER MOD Set 3.1: A 33 ASN : amide:sc= 1.05 K(o=2.7,f=0.62) USER MOD Set 3.2: A 79 GLN : amide:sc= 1.62 K(o=2.7,f=-0.5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= 0.0436 K(o=0.044,f=-0.64) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.72 K(o=-1.7,f=-4.8!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.762 F(o=-1.9,f=-0.76) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -135:sc= 1.23 (180deg=0.708) USER MOD Single : A 50 MET CE :methyl -119:sc= -6! (180deg=-11.1!) USER MOD Single : A 51 THR OG1 : rot -142:sc= -2.03 USER MOD Single : A 52 GLN : amide:sc= 0.00251 X(o=0.0025,f=-0.45) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -140:sc= -0.938 (180deg=-3.31!) USER MOD Single : A 65 SER OG : rot -34:sc= 0.0972 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0336 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 151:sc= 0.377 USER MOD Single : A 83 HIS : no HD1:sc= -0.556 X(o=-0.56,f=-0.081) USER MOD Single : A 89 GLN : amide:sc= -1.93 K(o=-1.9,f=-4!) USER MOD Single : A 90 THR OG1 : rot 37:sc= 0.197 USER MOD Single : A 92 THR OG1 : rot -143:sc= -2.83! USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -1.51! C(o=-1.5!,f=-10!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -49:sc= -0.646 USER MOD Single : A 103 ASN : amide:sc= -0.0229 X(o=-0.023,f=-0.023) USER MOD Single : A 106 ASN : amide:sc= -0.0803 X(o=-0.08,f=-0.12) USER MOD Single : A 107 LYS NZ :NH3+ 167:sc= -0.0161 (180deg=-0.18) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.35 K(o=-0.35,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 7.116 12.580 -8.390 1.00 0.00 N ATOM 2 CA GLY A 17 7.999 12.254 -9.536 1.00 0.00 C ATOM 3 C GLY A 17 7.712 13.128 -10.734 1.00 0.00 C ATOM 4 O GLY A 17 6.969 14.105 -10.628 1.00 0.00 O ATOM 0 HA2 GLY A 17 9.040 12.376 -9.238 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.867 11.207 -9.810 1.00 0.00 H new ATOM 10 N SER A 18 8.289 12.776 -11.875 1.00 0.00 N ATOM 11 CA SER A 18 8.072 13.521 -13.108 1.00 0.00 C ATOM 12 C SER A 18 6.624 13.370 -13.565 1.00 0.00 C ATOM 13 O SER A 18 5.989 14.335 -13.991 1.00 0.00 O ATOM 14 CB SER A 18 9.036 13.028 -14.186 1.00 0.00 C ATOM 15 OG SER A 18 10.376 13.087 -13.723 1.00 0.00 O ATOM 0 H SER A 18 8.914 11.976 -11.972 1.00 0.00 H new ATOM 0 HA SER A 18 8.264 14.579 -12.928 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.786 12.004 -14.464 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.929 13.637 -15.084 1.00 0.00 H new ATOM 0 HG SER A 18 10.979 12.766 -14.425 1.00 0.00 H new ATOM 21 N HIS A 19 6.104 12.153 -13.454 1.00 0.00 N ATOM 22 CA HIS A 19 4.703 11.887 -13.742 1.00 0.00 C ATOM 23 C HIS A 19 3.862 12.231 -12.513 1.00 0.00 C ATOM 24 O HIS A 19 3.358 11.348 -11.815 1.00 0.00 O ATOM 25 CB HIS A 19 4.518 10.413 -14.129 1.00 0.00 C ATOM 26 CG HIS A 19 3.167 10.082 -14.684 1.00 0.00 C ATOM 27 ND1 HIS A 19 2.070 9.824 -13.893 1.00 0.00 N ATOM 28 CD2 HIS A 19 2.744 9.949 -15.963 1.00 0.00 C ATOM 29 CE1 HIS A 19 1.035 9.545 -14.660 1.00 0.00 C ATOM 30 NE2 HIS A 19 1.415 9.611 -15.922 1.00 0.00 N ATOM 0 H HIS A 19 6.636 11.332 -13.165 1.00 0.00 H new ATOM 0 HA HIS A 19 4.377 12.504 -14.579 1.00 0.00 H new ATOM 0 HB2 HIS A 19 5.275 10.146 -14.866 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.697 9.794 -13.250 1.00 0.00 H new ATOM 0 HD1 HIS A 19 2.060 9.845 -12.873 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.342 10.084 -16.852 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.041 9.303 -14.313 1.00 0.00 H new ATOM 39 N MET A 20 3.730 13.524 -12.248 1.00 0.00 N ATOM 40 CA MET A 20 3.023 14.003 -11.067 1.00 0.00 C ATOM 41 C MET A 20 1.515 13.929 -11.276 1.00 0.00 C ATOM 42 O MET A 20 0.745 13.866 -10.315 1.00 0.00 O ATOM 43 CB MET A 20 3.444 15.444 -10.751 1.00 0.00 C ATOM 44 CG MET A 20 2.811 16.010 -9.490 1.00 0.00 C ATOM 45 SD MET A 20 3.225 15.060 -8.012 1.00 0.00 S ATOM 46 CE MET A 20 2.335 15.988 -6.763 1.00 0.00 C ATOM 0 H MET A 20 4.106 14.265 -12.840 1.00 0.00 H new ATOM 0 HA MET A 20 3.284 13.364 -10.224 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.529 15.481 -10.649 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.181 16.082 -11.595 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.137 17.041 -9.357 1.00 0.00 H new ATOM 0 HG3 MET A 20 1.728 16.032 -9.611 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.490 15.527 -5.788 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.702 17.014 -6.741 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.271 15.989 -6.999 1.00 0.00 H new ATOM 56 N SER A 21 1.105 13.939 -12.541 1.00 0.00 N ATOM 57 CA SER A 21 -0.301 13.835 -12.904 1.00 0.00 C ATOM 58 C SER A 21 -0.956 12.633 -12.225 1.00 0.00 C ATOM 59 O SER A 21 -0.646 11.481 -12.532 1.00 0.00 O ATOM 60 CB SER A 21 -0.445 13.715 -14.424 1.00 0.00 C ATOM 61 OG SER A 21 0.172 14.806 -15.089 1.00 0.00 O ATOM 0 H SER A 21 1.736 14.019 -13.338 1.00 0.00 H new ATOM 0 HA SER A 21 -0.806 14.739 -12.564 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.003 12.780 -14.761 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.502 13.675 -14.689 1.00 0.00 H new ATOM 0 HG SER A 21 0.065 14.701 -16.058 1.00 0.00 H new ATOM 67 N THR A 22 -1.849 12.919 -11.290 1.00 0.00 N ATOM 68 CA THR A 22 -2.563 11.884 -10.559 1.00 0.00 C ATOM 69 C THR A 22 -4.010 11.822 -11.049 1.00 0.00 C ATOM 70 O THR A 22 -4.950 11.633 -10.274 1.00 0.00 O ATOM 71 CB THR A 22 -2.532 12.172 -9.043 1.00 0.00 C ATOM 72 OG1 THR A 22 -1.257 12.726 -8.681 1.00 0.00 O ATOM 73 CG2 THR A 22 -2.774 10.901 -8.239 1.00 0.00 C ATOM 0 H THR A 22 -2.098 13.870 -11.018 1.00 0.00 H new ATOM 0 HA THR A 22 -2.076 10.925 -10.737 1.00 0.00 H new ATOM 0 HB THR A 22 -3.326 12.884 -8.816 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.241 12.909 -7.718 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.747 11.133 -7.174 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.750 10.488 -8.496 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.999 10.171 -8.471 1.00 0.00 H new ATOM 81 N LEU A 23 -4.171 11.991 -12.357 1.00 0.00 N ATOM 82 CA LEU A 23 -5.488 12.068 -12.971 1.00 0.00 C ATOM 83 C LEU A 23 -6.059 10.671 -13.191 1.00 0.00 C ATOM 84 O LEU A 23 -7.271 10.462 -13.098 1.00 0.00 O ATOM 85 CB LEU A 23 -5.390 12.816 -14.303 1.00 0.00 C ATOM 86 CG LEU A 23 -6.725 13.153 -14.966 1.00 0.00 C ATOM 87 CD1 LEU A 23 -7.513 14.131 -14.110 1.00 0.00 C ATOM 88 CD2 LEU A 23 -6.497 13.725 -16.357 1.00 0.00 C ATOM 0 H LEU A 23 -3.397 12.078 -13.016 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.158 12.609 -12.303 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.841 13.743 -14.140 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.801 12.214 -14.996 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.305 12.235 -15.061 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.461 14.360 -14.598 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.705 13.687 -13.133 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.939 15.049 -13.984 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.457 13.960 -16.816 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.898 14.633 -16.283 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.972 12.993 -16.970 1.00 0.00 H new ATOM 100 N GLU A 24 -5.182 9.724 -13.489 1.00 0.00 N ATOM 101 CA GLU A 24 -5.589 8.341 -13.679 1.00 0.00 C ATOM 102 C GLU A 24 -5.891 7.692 -12.334 1.00 0.00 C ATOM 103 O GLU A 24 -5.136 7.852 -11.371 1.00 0.00 O ATOM 104 CB GLU A 24 -4.501 7.553 -14.418 1.00 0.00 C ATOM 105 CG GLU A 24 -4.874 6.101 -14.684 1.00 0.00 C ATOM 106 CD GLU A 24 -6.177 5.964 -15.448 1.00 0.00 C ATOM 107 OE1 GLU A 24 -6.153 6.026 -16.693 1.00 0.00 O ATOM 108 OE2 GLU A 24 -7.235 5.798 -14.804 1.00 0.00 O ATOM 0 H GLU A 24 -4.182 9.889 -13.605 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.494 8.328 -14.287 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.290 8.045 -15.367 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.582 7.582 -13.832 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.074 5.622 -15.248 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.956 5.571 -13.735 1.00 0.00 H new ATOM 115 N ARG A 25 -6.997 6.965 -12.277 1.00 0.00 N ATOM 116 CA ARG A 25 -7.429 6.322 -11.046 1.00 0.00 C ATOM 117 C ARG A 25 -8.487 5.261 -11.354 1.00 0.00 C ATOM 118 O ARG A 25 -9.132 4.730 -10.446 1.00 0.00 O ATOM 119 CB ARG A 25 -7.980 7.377 -10.074 1.00 0.00 C ATOM 120 CG ARG A 25 -8.152 6.881 -8.647 1.00 0.00 C ATOM 121 CD ARG A 25 -8.535 8.009 -7.703 1.00 0.00 C ATOM 122 NE ARG A 25 -7.526 9.068 -7.677 1.00 0.00 N ATOM 123 CZ ARG A 25 -7.076 9.641 -6.559 1.00 0.00 C ATOM 124 NH1 ARG A 25 -7.527 9.239 -5.376 1.00 0.00 N ATOM 125 NH2 ARG A 25 -6.169 10.612 -6.628 1.00 0.00 N ATOM 0 H ARG A 25 -7.614 6.805 -13.073 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.577 5.830 -10.576 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.309 8.236 -10.070 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.944 7.727 -10.444 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.920 6.108 -8.620 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.224 6.421 -8.307 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.493 8.429 -8.009 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.668 7.611 -6.697 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.143 9.388 -8.567 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.218 8.491 -5.321 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.182 9.678 -4.523 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.818 10.918 -7.535 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.825 11.050 -5.774 1.00 0.00 H new ATOM 139 N VAL A 26 -8.638 4.944 -12.645 1.00 0.00 N ATOM 140 CA VAL A 26 -9.655 4.002 -13.123 1.00 0.00 C ATOM 141 C VAL A 26 -11.057 4.595 -12.987 1.00 0.00 C ATOM 142 O VAL A 26 -11.721 4.880 -13.984 1.00 0.00 O ATOM 143 CB VAL A 26 -9.587 2.638 -12.392 1.00 0.00 C ATOM 144 CG1 VAL A 26 -10.648 1.686 -12.925 1.00 0.00 C ATOM 145 CG2 VAL A 26 -8.203 2.024 -12.534 1.00 0.00 C ATOM 0 H VAL A 26 -8.058 5.334 -13.388 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.441 3.824 -14.177 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.782 2.810 -11.334 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.581 0.735 -12.397 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.636 2.119 -12.770 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.487 1.522 -13.990 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.175 1.066 -12.014 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.980 1.870 -13.590 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.461 2.695 -12.100 1.00 0.00 H new ATOM 155 N VAL A 27 -11.491 4.797 -11.755 1.00 0.00 N ATOM 156 CA VAL A 27 -12.792 5.363 -11.481 1.00 0.00 C ATOM 157 C VAL A 27 -12.720 6.188 -10.200 1.00 0.00 C ATOM 158 O VAL A 27 -11.674 6.247 -9.551 1.00 0.00 O ATOM 159 CB VAL A 27 -13.864 4.254 -11.341 1.00 0.00 C ATOM 160 CG1 VAL A 27 -13.975 3.765 -9.901 1.00 0.00 C ATOM 161 CG2 VAL A 27 -15.214 4.727 -11.866 1.00 0.00 C ATOM 0 H VAL A 27 -10.949 4.572 -10.920 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.080 6.002 -12.316 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.545 3.409 -11.951 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.736 2.987 -9.838 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -13.015 3.360 -9.579 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.253 4.597 -9.254 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -15.948 3.928 -11.755 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -15.539 5.600 -11.299 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.122 4.992 -12.919 1.00 0.00 H new ATOM 171 N TYR A 28 -13.820 6.827 -9.842 1.00 0.00 N ATOM 172 CA TYR A 28 -13.893 7.558 -8.596 1.00 0.00 C ATOM 173 C TYR A 28 -13.921 6.606 -7.403 1.00 0.00 C ATOM 174 O TYR A 28 -14.963 6.050 -7.062 1.00 0.00 O ATOM 175 CB TYR A 28 -15.135 8.443 -8.585 1.00 0.00 C ATOM 176 CG TYR A 28 -15.115 9.522 -9.642 1.00 0.00 C ATOM 177 CD1 TYR A 28 -14.302 10.632 -9.495 1.00 0.00 C ATOM 178 CD2 TYR A 28 -15.901 9.429 -10.785 1.00 0.00 C ATOM 179 CE1 TYR A 28 -14.266 11.626 -10.455 1.00 0.00 C ATOM 180 CE2 TYR A 28 -15.870 10.416 -11.753 1.00 0.00 C ATOM 181 CZ TYR A 28 -15.052 11.513 -11.582 1.00 0.00 C ATOM 182 OH TYR A 28 -15.014 12.499 -12.545 1.00 0.00 O ATOM 0 H TYR A 28 -14.674 6.853 -10.399 1.00 0.00 H new ATOM 0 HA TYR A 28 -13.003 8.182 -8.513 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -16.017 7.819 -8.730 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -15.231 8.908 -7.604 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -13.684 10.723 -8.614 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -16.546 8.573 -10.919 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -13.626 12.486 -10.323 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -16.483 10.328 -12.638 1.00 0.00 H new ATOM 0 HH TYR A 28 -15.625 12.267 -13.275 1.00 0.00 H new ATOM 192 N ARG A 29 -12.765 6.424 -6.783 1.00 0.00 N ATOM 193 CA ARG A 29 -12.655 5.638 -5.558 1.00 0.00 C ATOM 194 C ARG A 29 -11.905 6.445 -4.498 1.00 0.00 C ATOM 195 O ARG A 29 -10.698 6.293 -4.310 1.00 0.00 O ATOM 196 CB ARG A 29 -11.972 4.289 -5.834 1.00 0.00 C ATOM 197 CG ARG A 29 -10.711 4.381 -6.683 1.00 0.00 C ATOM 198 CD ARG A 29 -10.119 3.003 -6.957 1.00 0.00 C ATOM 199 NE ARG A 29 -11.070 2.115 -7.631 1.00 0.00 N ATOM 200 CZ ARG A 29 -10.726 1.031 -8.328 1.00 0.00 C ATOM 201 NH1 ARG A 29 -9.451 0.667 -8.433 1.00 0.00 N ATOM 202 NH2 ARG A 29 -11.669 0.298 -8.907 1.00 0.00 N ATOM 0 H ARG A 29 -11.881 6.813 -7.110 1.00 0.00 H new ATOM 0 HA ARG A 29 -13.654 5.419 -5.180 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.720 3.822 -4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.684 3.631 -6.333 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.943 4.873 -7.628 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.973 5.000 -6.174 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.225 3.109 -7.572 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.806 2.550 -6.016 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.062 2.341 -7.563 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.724 1.219 -7.978 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.200 -0.164 -8.969 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.649 0.565 -8.817 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.413 -0.532 -9.442 1.00 0.00 H new ATOM 216 N PRO A 30 -12.631 7.346 -3.817 1.00 0.00 N ATOM 217 CA PRO A 30 -12.058 8.300 -2.862 1.00 0.00 C ATOM 218 C PRO A 30 -11.549 7.667 -1.568 1.00 0.00 C ATOM 219 O PRO A 30 -12.179 6.765 -1.005 1.00 0.00 O ATOM 220 CB PRO A 30 -13.225 9.247 -2.551 1.00 0.00 C ATOM 221 CG PRO A 30 -14.231 8.979 -3.605 1.00 0.00 C ATOM 222 CD PRO A 30 -14.077 7.540 -3.948 1.00 0.00 C ATOM 0 HA PRO A 30 -11.179 8.781 -3.290 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.634 9.057 -1.559 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.903 10.288 -2.569 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.239 9.191 -3.248 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.062 9.610 -4.477 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.638 6.897 -3.269 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.428 7.322 -4.957 1.00 0.00 H new ATOM 230 N ASP A 31 -10.403 8.166 -1.118 1.00 0.00 N ATOM 231 CA ASP A 31 -9.837 7.854 0.191 1.00 0.00 C ATOM 232 C ASP A 31 -8.574 8.665 0.375 1.00 0.00 C ATOM 233 O ASP A 31 -8.517 9.606 1.168 1.00 0.00 O ATOM 234 CB ASP A 31 -9.530 6.359 0.355 1.00 0.00 C ATOM 235 CG ASP A 31 -9.221 5.986 1.798 1.00 0.00 C ATOM 236 OD1 ASP A 31 -8.072 6.177 2.246 1.00 0.00 O ATOM 237 OD2 ASP A 31 -10.138 5.506 2.500 1.00 0.00 O ATOM 0 H ASP A 31 -9.830 8.811 -1.662 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.574 8.109 0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.382 5.775 0.006 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.682 6.094 -0.276 1.00 0.00 H new ATOM 242 N ILE A 32 -7.575 8.286 -0.379 1.00 0.00 N ATOM 243 CA ILE A 32 -6.319 9.005 -0.436 1.00 0.00 C ATOM 244 C ILE A 32 -6.232 9.880 -1.677 1.00 0.00 C ATOM 245 O ILE A 32 -6.747 9.536 -2.740 1.00 0.00 O ATOM 246 CB ILE A 32 -5.144 8.027 -0.446 1.00 0.00 C ATOM 247 CG1 ILE A 32 -5.308 7.062 0.709 1.00 0.00 C ATOM 248 CG2 ILE A 32 -3.830 8.779 -0.337 1.00 0.00 C ATOM 249 CD1 ILE A 32 -5.206 7.738 2.047 1.00 0.00 C ATOM 0 H ILE A 32 -7.606 7.462 -0.979 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.272 9.639 0.449 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.131 7.472 -1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.276 6.567 0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.546 6.285 0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.003 8.069 -0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.731 9.462 -1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.812 9.347 0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.331 6.999 2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.228 8.210 2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.985 8.496 2.132 1.00 0.00 H new ATOM 261 N ASN A 33 -5.564 11.008 -1.528 1.00 0.00 N ATOM 262 CA ASN A 33 -5.348 11.926 -2.629 1.00 0.00 C ATOM 263 C ASN A 33 -3.967 11.702 -3.216 1.00 0.00 C ATOM 264 O ASN A 33 -3.708 12.039 -4.370 1.00 0.00 O ATOM 265 CB ASN A 33 -5.455 13.368 -2.138 1.00 0.00 C ATOM 266 CG ASN A 33 -6.674 13.588 -1.273 1.00 0.00 C ATOM 267 OD1 ASN A 33 -7.747 13.933 -1.766 1.00 0.00 O ATOM 268 ND2 ASN A 33 -6.512 13.385 0.022 1.00 0.00 N ATOM 0 H ASN A 33 -5.157 11.313 -0.644 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.107 11.747 -3.391 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.559 13.625 -1.572 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -5.494 14.040 -2.995 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.297 13.514 0.661 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.602 13.099 0.384 1.00 0.00 H new ATOM 275 N GLN A 34 -3.091 11.098 -2.416 1.00 0.00 N ATOM 276 CA GLN A 34 -1.682 11.004 -2.767 1.00 0.00 C ATOM 277 C GLN A 34 -1.372 9.763 -3.599 1.00 0.00 C ATOM 278 O GLN A 34 -0.219 9.518 -3.956 1.00 0.00 O ATOM 279 CB GLN A 34 -0.803 11.024 -1.506 1.00 0.00 C ATOM 280 CG GLN A 34 -0.596 9.673 -0.855 1.00 0.00 C ATOM 281 CD GLN A 34 0.488 9.719 0.188 1.00 0.00 C ATOM 282 OE1 GLN A 34 0.401 8.820 1.131 1.00 0.00 O flip ATOM 283 NE2 GLN A 34 1.402 10.542 0.135 1.00 0.00 N flip ATOM 0 H GLN A 34 -3.334 10.668 -1.523 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.453 11.876 -3.379 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.171 11.440 -1.765 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.253 11.698 -0.777 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.528 9.343 -0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.337 8.938 -1.617 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.429 11.226 -0.621 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.132 10.540 0.847 1.00 0.00 H new ATOM 292 N GLY A 35 -2.391 8.985 -3.915 1.00 0.00 N ATOM 293 CA GLY A 35 -2.163 7.774 -4.675 1.00 0.00 C ATOM 294 C GLY A 35 -3.406 6.931 -4.864 1.00 0.00 C ATOM 295 O GLY A 35 -4.466 7.236 -4.313 1.00 0.00 O ATOM 0 H GLY A 35 -3.363 9.165 -3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.763 8.040 -5.653 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.403 7.177 -4.171 1.00 0.00 H new ATOM 299 N ASN A 36 -3.262 5.874 -5.656 1.00 0.00 N ATOM 300 CA ASN A 36 -4.346 4.935 -5.928 1.00 0.00 C ATOM 301 C ASN A 36 -3.878 3.524 -5.590 1.00 0.00 C ATOM 302 O ASN A 36 -4.438 2.522 -6.037 1.00 0.00 O ATOM 303 CB ASN A 36 -4.733 5.028 -7.402 1.00 0.00 C ATOM 304 CG ASN A 36 -6.031 4.326 -7.733 1.00 0.00 C ATOM 305 OD1 ASN A 36 -6.934 4.226 -6.905 1.00 0.00 O ATOM 306 ND2 ASN A 36 -6.138 3.846 -8.959 1.00 0.00 N ATOM 0 H ASN A 36 -2.388 5.643 -6.129 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.217 5.177 -5.318 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.816 6.078 -7.682 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.934 4.600 -8.007 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.993 3.372 -9.248 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.365 3.950 -9.617 1.00 0.00 H new ATOM 313 N TYR A 37 -2.826 3.477 -4.800 1.00 0.00 N ATOM 314 CA TYR A 37 -2.177 2.235 -4.426 1.00 0.00 C ATOM 315 C TYR A 37 -2.594 1.785 -3.025 1.00 0.00 C ATOM 316 O TYR A 37 -3.539 2.322 -2.446 1.00 0.00 O ATOM 317 CB TYR A 37 -0.655 2.414 -4.497 1.00 0.00 C ATOM 318 CG TYR A 37 -0.173 3.758 -3.979 1.00 0.00 C ATOM 319 CD1 TYR A 37 -0.426 4.159 -2.672 1.00 0.00 C ATOM 320 CD2 TYR A 37 0.526 4.628 -4.804 1.00 0.00 C ATOM 321 CE1 TYR A 37 0.005 5.385 -2.204 1.00 0.00 C ATOM 322 CE2 TYR A 37 0.959 5.856 -4.346 1.00 0.00 C ATOM 323 CZ TYR A 37 0.696 6.231 -3.046 1.00 0.00 C ATOM 324 OH TYR A 37 1.126 7.454 -2.592 1.00 0.00 O ATOM 0 H TYR A 37 -2.392 4.307 -4.395 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.488 1.459 -5.125 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.178 1.621 -3.922 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.332 2.296 -5.531 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.969 3.500 -2.011 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.735 4.339 -5.823 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.198 5.679 -1.185 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.501 6.520 -5.003 1.00 0.00 H new ATOM 0 HH TYR A 37 0.739 8.163 -3.146 1.00 0.00 H new ATOM 334 N LEU A 38 -1.876 0.804 -2.491 1.00 0.00 N ATOM 335 CA LEU A 38 -2.140 0.292 -1.149 1.00 0.00 C ATOM 336 C LEU A 38 -1.732 1.311 -0.094 1.00 0.00 C ATOM 337 O LEU A 38 -0.842 2.132 -0.319 1.00 0.00 O ATOM 338 CB LEU A 38 -1.378 -1.009 -0.899 1.00 0.00 C ATOM 339 CG LEU A 38 -1.686 -1.683 0.434 1.00 0.00 C ATOM 340 CD1 LEU A 38 -2.819 -2.664 0.259 1.00 0.00 C ATOM 341 CD2 LEU A 38 -0.462 -2.370 1.005 1.00 0.00 C ATOM 0 H LEU A 38 -1.101 0.344 -2.969 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.211 0.101 -1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.605 -1.707 -1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.309 -0.803 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.987 -0.915 1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.036 -3.143 1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.706 -2.137 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.535 -3.422 -0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.718 -2.839 1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.113 -3.131 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.327 -1.635 1.165 1.00 0.00 H new ATOM 353 N THR A 39 -2.390 1.252 1.051 1.00 0.00 N ATOM 354 CA THR A 39 -2.091 2.144 2.148 1.00 0.00 C ATOM 355 C THR A 39 -1.844 1.375 3.442 1.00 0.00 C ATOM 356 O THR A 39 -1.839 0.141 3.459 1.00 0.00 O ATOM 357 CB THR A 39 -3.229 3.156 2.379 1.00 0.00 C ATOM 358 OG1 THR A 39 -4.376 2.498 2.930 1.00 0.00 O ATOM 359 CG2 THR A 39 -3.616 3.826 1.078 1.00 0.00 C ATOM 0 H THR A 39 -3.141 0.588 1.242 1.00 0.00 H new ATOM 0 HA THR A 39 -1.184 2.681 1.871 1.00 0.00 H new ATOM 0 HB THR A 39 -2.873 3.911 3.080 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.091 3.153 3.074 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.421 4.538 1.261 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.753 4.352 0.669 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.953 3.072 0.366 1.00 0.00 H new ATOM 367 N ALA A 40 -1.677 2.116 4.524 1.00 0.00 N ATOM 368 CA ALA A 40 -1.418 1.534 5.834 1.00 0.00 C ATOM 369 C ALA A 40 -2.616 0.744 6.354 1.00 0.00 C ATOM 370 O ALA A 40 -2.448 -0.278 7.022 1.00 0.00 O ATOM 371 CB ALA A 40 -1.055 2.623 6.824 1.00 0.00 C ATOM 0 H ALA A 40 -1.717 3.135 4.522 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.584 0.841 5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.863 2.178 7.800 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.161 3.144 6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.879 3.332 6.904 1.00 0.00 H new ATOM 377 N ASN A 41 -3.821 1.219 6.039 1.00 0.00 N ATOM 378 CA ASN A 41 -5.048 0.578 6.518 1.00 0.00 C ATOM 379 C ASN A 41 -5.076 -0.875 6.108 1.00 0.00 C ATOM 380 O ASN A 41 -5.370 -1.765 6.909 1.00 0.00 O ATOM 381 CB ASN A 41 -6.293 1.252 5.947 1.00 0.00 C ATOM 382 CG ASN A 41 -6.451 2.694 6.368 1.00 0.00 C ATOM 383 OD1 ASN A 41 -7.123 3.466 5.536 1.00 0.00 O flip ATOM 384 ND2 ASN A 41 -5.979 3.108 7.427 1.00 0.00 N flip ATOM 0 H ASN A 41 -3.975 2.042 5.457 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.052 0.671 7.604 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.255 1.203 4.859 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.174 0.693 6.261 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.466 2.474 8.039 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.101 4.085 7.692 1.00 0.00 H new ATOM 391 N ASP A 42 -4.756 -1.099 4.850 1.00 0.00 N ATOM 392 CA ASP A 42 -4.797 -2.431 4.279 1.00 0.00 C ATOM 393 C ASP A 42 -3.630 -3.279 4.768 1.00 0.00 C ATOM 394 O ASP A 42 -3.747 -4.497 4.872 1.00 0.00 O ATOM 395 CB ASP A 42 -4.836 -2.358 2.755 1.00 0.00 C ATOM 396 CG ASP A 42 -6.232 -2.077 2.232 1.00 0.00 C ATOM 397 OD1 ASP A 42 -6.617 -0.889 2.154 1.00 0.00 O ATOM 398 OD2 ASP A 42 -6.954 -3.041 1.898 1.00 0.00 O ATOM 0 H ASP A 42 -4.463 -0.371 4.199 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.712 -2.919 4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.157 -1.577 2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.476 -3.299 2.338 1.00 0.00 H new ATOM 403 N VAL A 43 -2.511 -2.642 5.098 1.00 0.00 N ATOM 404 CA VAL A 43 -1.405 -3.359 5.727 1.00 0.00 C ATOM 405 C VAL A 43 -1.847 -3.907 7.081 1.00 0.00 C ATOM 406 O VAL A 43 -1.520 -5.034 7.455 1.00 0.00 O ATOM 407 CB VAL A 43 -0.164 -2.466 5.933 1.00 0.00 C ATOM 408 CG1 VAL A 43 0.895 -3.229 6.700 1.00 0.00 C ATOM 409 CG2 VAL A 43 0.403 -2.010 4.612 1.00 0.00 C ATOM 0 H VAL A 43 -2.346 -1.647 4.944 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.128 -4.170 5.054 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.469 -1.586 6.500 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.769 -2.594 6.843 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.499 -3.525 7.671 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.181 -4.119 6.139 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.277 -1.382 4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.694 -2.879 4.021 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.351 -1.439 4.070 1.00 0.00 H new ATOM 419 N SER A 44 -2.605 -3.097 7.802 1.00 0.00 N ATOM 420 CA SER A 44 -3.156 -3.498 9.087 1.00 0.00 C ATOM 421 C SER A 44 -4.152 -4.649 8.910 1.00 0.00 C ATOM 422 O SER A 44 -4.413 -5.415 9.843 1.00 0.00 O ATOM 423 CB SER A 44 -3.826 -2.302 9.756 1.00 0.00 C ATOM 424 OG SER A 44 -4.261 -2.617 11.065 1.00 0.00 O ATOM 0 H SER A 44 -2.854 -2.150 7.516 1.00 0.00 H new ATOM 0 HA SER A 44 -2.346 -3.850 9.726 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.127 -1.467 9.795 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.677 -1.978 9.157 1.00 0.00 H new ATOM 0 HG SER A 44 -4.684 -1.830 11.467 1.00 0.00 H new ATOM 430 N LYS A 45 -4.698 -4.764 7.702 1.00 0.00 N ATOM 431 CA LYS A 45 -5.625 -5.837 7.366 1.00 0.00 C ATOM 432 C LYS A 45 -4.914 -7.179 7.289 1.00 0.00 C ATOM 433 O LYS A 45 -5.388 -8.170 7.846 1.00 0.00 O ATOM 434 CB LYS A 45 -6.313 -5.545 6.040 1.00 0.00 C ATOM 435 CG LYS A 45 -7.295 -4.388 6.111 1.00 0.00 C ATOM 436 CD LYS A 45 -7.870 -4.084 4.746 1.00 0.00 C ATOM 437 CE LYS A 45 -8.595 -5.287 4.189 1.00 0.00 C ATOM 438 NZ LYS A 45 -8.818 -5.176 2.723 1.00 0.00 N ATOM 0 H LYS A 45 -4.511 -4.119 6.934 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.372 -5.889 8.158 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.556 -5.324 5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.840 -6.439 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.101 -4.632 6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.793 -3.504 6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.556 -3.240 4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.070 -3.789 4.067 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.018 -6.187 4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.555 -5.397 4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.795 -5.454 2.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.660 -4.193 2.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.156 -5.803 2.223 1.00 0.00 H new ATOM 452 N ILE A 46 -3.773 -7.213 6.611 1.00 0.00 N ATOM 453 CA ILE A 46 -3.061 -8.455 6.416 1.00 0.00 C ATOM 454 C ILE A 46 -2.330 -8.909 7.656 1.00 0.00 C ATOM 455 O ILE A 46 -2.254 -8.204 8.665 1.00 0.00 O ATOM 456 CB ILE A 46 -2.062 -8.409 5.248 1.00 0.00 C ATOM 457 CG1 ILE A 46 -1.001 -7.314 5.424 1.00 0.00 C ATOM 458 CG2 ILE A 46 -2.814 -8.260 3.948 1.00 0.00 C ATOM 459 CD1 ILE A 46 -0.044 -7.232 4.257 1.00 0.00 C ATOM 0 H ILE A 46 -3.329 -6.396 6.192 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.844 -9.174 6.176 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.512 -9.350 5.232 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.497 -6.351 5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.437 -7.504 6.337 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.106 -8.227 3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.486 -9.108 3.817 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.393 -7.337 3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.683 -6.440 4.438 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.476 -8.184 4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.600 -7.013 3.345 1.00 0.00 H new ATOM 471 N ARG A 47 -1.794 -10.105 7.552 1.00 0.00 N ATOM 472 CA ARG A 47 -1.111 -10.753 8.652 1.00 0.00 C ATOM 473 C ARG A 47 -0.280 -11.898 8.124 1.00 0.00 C ATOM 474 O ARG A 47 -0.633 -12.528 7.124 1.00 0.00 O ATOM 475 CB ARG A 47 -2.116 -11.275 9.689 1.00 0.00 C ATOM 476 CG ARG A 47 -3.068 -12.340 9.150 1.00 0.00 C ATOM 477 CD ARG A 47 -4.308 -11.736 8.498 1.00 0.00 C ATOM 478 NE ARG A 47 -5.132 -11.007 9.465 1.00 0.00 N ATOM 479 CZ ARG A 47 -6.467 -10.983 9.448 1.00 0.00 C ATOM 480 NH1 ARG A 47 -7.138 -11.688 8.545 1.00 0.00 N ATOM 481 NH2 ARG A 47 -7.132 -10.262 10.350 1.00 0.00 N ATOM 0 H ARG A 47 -1.819 -10.660 6.696 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.465 -10.023 9.139 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.567 -11.688 10.536 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.701 -10.437 10.067 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.543 -12.958 8.422 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.373 -12.997 9.965 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.005 -11.061 7.697 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.900 -12.528 8.040 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.655 -10.484 10.199 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.634 -12.251 7.860 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.158 -11.666 8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.621 -9.728 11.053 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.152 -10.244 10.337 1.00 0.00 H new ATOM 495 N VAL A 48 0.825 -12.150 8.789 1.00 0.00 N ATOM 496 CA VAL A 48 1.723 -13.206 8.394 1.00 0.00 C ATOM 497 C VAL A 48 1.088 -14.554 8.690 1.00 0.00 C ATOM 498 O VAL A 48 0.403 -14.713 9.701 1.00 0.00 O ATOM 499 CB VAL A 48 3.053 -13.095 9.138 1.00 0.00 C ATOM 500 CG1 VAL A 48 4.184 -13.594 8.269 1.00 0.00 C ATOM 501 CG2 VAL A 48 3.301 -11.667 9.569 1.00 0.00 C ATOM 0 H VAL A 48 1.123 -11.630 9.614 1.00 0.00 H new ATOM 0 HA VAL A 48 1.914 -13.114 7.325 1.00 0.00 H new ATOM 0 HB VAL A 48 3.005 -13.718 10.031 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.125 -13.509 8.812 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.009 -14.638 8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.235 -12.996 7.359 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.252 -11.606 10.097 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.332 -11.022 8.691 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.498 -11.342 10.230 1.00 0.00 H new ATOM 511 N GLY A 49 1.314 -15.518 7.819 1.00 0.00 N ATOM 512 CA GLY A 49 0.695 -16.812 7.987 1.00 0.00 C ATOM 513 C GLY A 49 -0.152 -17.211 6.797 1.00 0.00 C ATOM 514 O GLY A 49 -0.249 -18.395 6.480 1.00 0.00 O ATOM 0 H GLY A 49 1.914 -15.430 6.999 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.469 -17.563 8.146 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.074 -16.800 8.883 1.00 0.00 H new ATOM 518 N MET A 50 -0.773 -16.237 6.133 1.00 0.00 N ATOM 519 CA MET A 50 -1.554 -16.540 4.937 1.00 0.00 C ATOM 520 C MET A 50 -0.673 -16.569 3.701 1.00 0.00 C ATOM 521 O MET A 50 0.532 -16.322 3.775 1.00 0.00 O ATOM 522 CB MET A 50 -2.738 -15.583 4.726 1.00 0.00 C ATOM 523 CG MET A 50 -2.418 -14.104 4.844 1.00 0.00 C ATOM 524 SD MET A 50 -3.862 -13.073 4.494 1.00 0.00 S ATOM 525 CE MET A 50 -3.165 -11.438 4.648 1.00 0.00 C ATOM 0 H MET A 50 -0.752 -15.252 6.396 1.00 0.00 H new ATOM 0 HA MET A 50 -1.976 -17.532 5.099 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.159 -15.767 3.737 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.513 -15.827 5.453 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.054 -13.890 5.849 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.614 -13.850 4.153 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.674 -10.899 5.447 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.103 -11.516 4.882 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.291 -10.899 3.709 1.00 0.00 H new ATOM 535 N THR A 51 -1.281 -16.878 2.570 1.00 0.00 N ATOM 536 CA THR A 51 -0.544 -17.111 1.341 1.00 0.00 C ATOM 537 C THR A 51 -0.396 -15.842 0.517 1.00 0.00 C ATOM 538 O THR A 51 -0.751 -14.745 0.964 1.00 0.00 O ATOM 539 CB THR A 51 -1.246 -18.155 0.464 1.00 0.00 C ATOM 540 OG1 THR A 51 -2.478 -17.633 -0.031 1.00 0.00 O ATOM 541 CG2 THR A 51 -1.537 -19.400 1.251 1.00 0.00 C ATOM 0 H THR A 51 -2.292 -16.974 2.477 1.00 0.00 H new ATOM 0 HA THR A 51 0.440 -17.468 1.644 1.00 0.00 H new ATOM 0 HB THR A 51 -0.582 -18.396 -0.366 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.154 -18.342 -0.039 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.035 -20.127 0.610 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.603 -19.822 1.622 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.184 -19.155 2.093 1.00 0.00 H new ATOM 549 N GLN A 52 0.107 -16.008 -0.697 1.00 0.00 N ATOM 550 CA GLN A 52 0.164 -14.922 -1.654 1.00 0.00 C ATOM 551 C GLN A 52 -1.239 -14.550 -2.106 1.00 0.00 C ATOM 552 O GLN A 52 -1.604 -13.375 -2.120 1.00 0.00 O ATOM 553 CB GLN A 52 1.007 -15.312 -2.867 1.00 0.00 C ATOM 554 CG GLN A 52 2.480 -15.499 -2.553 1.00 0.00 C ATOM 555 CD GLN A 52 3.306 -15.844 -3.775 1.00 0.00 C ATOM 556 OE1 GLN A 52 2.828 -16.489 -4.708 1.00 0.00 O ATOM 557 NE2 GLN A 52 4.557 -15.411 -3.777 1.00 0.00 N ATOM 0 H GLN A 52 0.483 -16.892 -1.041 1.00 0.00 H new ATOM 0 HA GLN A 52 0.627 -14.064 -1.168 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.614 -16.237 -3.289 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.903 -14.543 -3.633 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.869 -14.585 -2.104 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.590 -16.290 -1.811 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.914 -14.879 -2.983 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.164 -15.609 -4.573 1.00 0.00 H new ATOM 566 N GLN A 53 -2.044 -15.559 -2.436 1.00 0.00 N ATOM 567 CA GLN A 53 -3.376 -15.308 -2.977 1.00 0.00 C ATOM 568 C GLN A 53 -4.231 -14.594 -1.950 1.00 0.00 C ATOM 569 O GLN A 53 -5.067 -13.751 -2.283 1.00 0.00 O ATOM 570 CB GLN A 53 -4.067 -16.603 -3.405 1.00 0.00 C ATOM 571 CG GLN A 53 -4.310 -17.584 -2.287 1.00 0.00 C ATOM 572 CD GLN A 53 -5.365 -18.611 -2.628 1.00 0.00 C ATOM 573 OE1 GLN A 53 -5.063 -19.676 -3.162 1.00 0.00 O ATOM 574 NE2 GLN A 53 -6.612 -18.300 -2.315 1.00 0.00 N ATOM 0 H GLN A 53 -1.800 -16.545 -2.340 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.257 -14.679 -3.859 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.023 -16.354 -3.866 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.460 -17.087 -4.170 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.377 -18.094 -2.048 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.614 -17.040 -1.393 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.819 -17.405 -1.872 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.367 -18.956 -2.516 1.00 0.00 H new ATOM 583 N GLN A 54 -4.011 -14.945 -0.698 1.00 0.00 N ATOM 584 CA GLN A 54 -4.718 -14.313 0.399 1.00 0.00 C ATOM 585 C GLN A 54 -4.408 -12.825 0.437 1.00 0.00 C ATOM 586 O GLN A 54 -5.309 -11.989 0.358 1.00 0.00 O ATOM 587 CB GLN A 54 -4.313 -14.931 1.728 1.00 0.00 C ATOM 588 CG GLN A 54 -4.455 -16.434 1.782 1.00 0.00 C ATOM 589 CD GLN A 54 -5.737 -16.893 2.434 1.00 0.00 C ATOM 590 OE1 GLN A 54 -6.789 -16.266 2.301 1.00 0.00 O ATOM 591 NE2 GLN A 54 -5.635 -17.968 3.194 1.00 0.00 N ATOM 0 H GLN A 54 -3.347 -15.666 -0.415 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.786 -14.465 0.240 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.276 -14.668 1.937 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.919 -14.491 2.520 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.409 -16.832 0.768 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.609 -16.852 2.328 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.742 -18.454 3.273 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.450 -18.312 3.702 1.00 0.00 H new ATOM 600 N VAL A 55 -3.120 -12.504 0.537 1.00 0.00 N ATOM 601 CA VAL A 55 -2.676 -11.125 0.608 1.00 0.00 C ATOM 602 C VAL A 55 -3.046 -10.348 -0.643 1.00 0.00 C ATOM 603 O VAL A 55 -3.481 -9.208 -0.552 1.00 0.00 O ATOM 604 CB VAL A 55 -1.160 -11.034 0.817 1.00 0.00 C ATOM 605 CG1 VAL A 55 -0.704 -9.588 0.753 1.00 0.00 C ATOM 606 CG2 VAL A 55 -0.782 -11.643 2.145 1.00 0.00 C ATOM 0 H VAL A 55 -2.365 -13.190 0.570 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.186 -10.684 1.464 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.663 -11.590 0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.375 -9.540 0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.954 -9.171 -0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.205 -9.014 1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.297 -11.573 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.286 -11.106 2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.083 -12.690 2.164 1.00 0.00 H new ATOM 616 N ALA A 56 -2.885 -10.962 -1.806 1.00 0.00 N ATOM 617 CA ALA A 56 -3.199 -10.287 -3.058 1.00 0.00 C ATOM 618 C ALA A 56 -4.637 -9.806 -3.048 1.00 0.00 C ATOM 619 O ALA A 56 -4.953 -8.742 -3.567 1.00 0.00 O ATOM 620 CB ALA A 56 -2.967 -11.206 -4.245 1.00 0.00 C ATOM 0 H ALA A 56 -2.542 -11.917 -1.910 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.535 -9.428 -3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.209 -10.677 -5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.922 -11.515 -4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.603 -12.086 -4.154 1.00 0.00 H new ATOM 626 N TYR A 57 -5.504 -10.600 -2.456 1.00 0.00 N ATOM 627 CA TYR A 57 -6.904 -10.254 -2.377 1.00 0.00 C ATOM 628 C TYR A 57 -7.198 -9.294 -1.217 1.00 0.00 C ATOM 629 O TYR A 57 -8.071 -8.434 -1.324 1.00 0.00 O ATOM 630 CB TYR A 57 -7.735 -11.520 -2.307 1.00 0.00 C ATOM 631 CG TYR A 57 -8.185 -11.963 -3.679 1.00 0.00 C ATOM 632 CD1 TYR A 57 -7.307 -11.942 -4.765 1.00 0.00 C ATOM 633 CD2 TYR A 57 -9.498 -12.358 -3.904 1.00 0.00 C ATOM 634 CE1 TYR A 57 -7.732 -12.310 -6.024 1.00 0.00 C ATOM 635 CE2 TYR A 57 -9.926 -12.721 -5.164 1.00 0.00 C ATOM 636 CZ TYR A 57 -9.042 -12.696 -6.220 1.00 0.00 C ATOM 637 OH TYR A 57 -9.473 -13.052 -7.478 1.00 0.00 O ATOM 0 H TYR A 57 -5.262 -11.491 -2.022 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.181 -9.711 -3.281 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.152 -12.314 -1.840 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.606 -11.350 -1.674 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.283 -11.634 -4.617 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -10.195 -12.381 -3.079 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.041 -12.296 -6.854 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -10.951 -13.024 -5.322 1.00 0.00 H new ATOM 0 HH TYR A 57 -10.421 -13.298 -7.442 1.00 0.00 H new ATOM 647 N ALA A 58 -6.468 -9.443 -0.117 1.00 0.00 N ATOM 648 CA ALA A 58 -6.630 -8.568 1.043 1.00 0.00 C ATOM 649 C ALA A 58 -6.105 -7.172 0.750 1.00 0.00 C ATOM 650 O ALA A 58 -6.708 -6.165 1.125 1.00 0.00 O ATOM 651 CB ALA A 58 -5.891 -9.138 2.241 1.00 0.00 C ATOM 0 H ALA A 58 -5.755 -10.164 -0.002 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.695 -8.505 1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.021 -8.476 3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.291 -10.123 2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.830 -9.225 2.007 1.00 0.00 H new ATOM 657 N LEU A 59 -4.971 -7.146 0.081 1.00 0.00 N ATOM 658 CA LEU A 59 -4.231 -5.929 -0.178 1.00 0.00 C ATOM 659 C LEU A 59 -4.623 -5.314 -1.511 1.00 0.00 C ATOM 660 O LEU A 59 -4.856 -4.112 -1.619 1.00 0.00 O ATOM 661 CB LEU A 59 -2.739 -6.278 -0.161 1.00 0.00 C ATOM 662 CG LEU A 59 -1.909 -5.543 0.869 1.00 0.00 C ATOM 663 CD1 LEU A 59 -2.681 -5.441 2.160 1.00 0.00 C ATOM 664 CD2 LEU A 59 -0.615 -6.281 1.093 1.00 0.00 C ATOM 0 H LEU A 59 -4.531 -7.982 -0.304 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.459 -5.189 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.636 -7.349 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.325 -6.074 -1.148 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.686 -4.538 0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.082 -4.911 2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.609 -4.896 1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.911 -6.441 2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.018 -5.751 1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.828 -7.288 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.062 -6.338 0.156 1.00 0.00 H new ATOM 676 N GLY A 60 -4.729 -6.161 -2.512 1.00 0.00 N ATOM 677 CA GLY A 60 -4.902 -5.696 -3.864 1.00 0.00 C ATOM 678 C GLY A 60 -3.671 -6.014 -4.674 1.00 0.00 C ATOM 679 O GLY A 60 -2.566 -5.629 -4.296 1.00 0.00 O ATOM 0 H GLY A 60 -4.698 -7.176 -2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.776 -6.169 -4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.084 -4.621 -3.868 1.00 0.00 H new ATOM 683 N THR A 61 -3.851 -6.745 -5.759 1.00 0.00 N ATOM 684 CA THR A 61 -2.730 -7.197 -6.559 1.00 0.00 C ATOM 685 C THR A 61 -1.905 -6.014 -7.077 1.00 0.00 C ATOM 686 O THR A 61 -2.455 -5.010 -7.539 1.00 0.00 O ATOM 687 CB THR A 61 -3.214 -8.081 -7.724 1.00 0.00 C ATOM 688 OG1 THR A 61 -4.171 -7.379 -8.527 1.00 0.00 O ATOM 689 CG2 THR A 61 -3.845 -9.361 -7.186 1.00 0.00 C ATOM 0 H THR A 61 -4.764 -7.038 -6.106 1.00 0.00 H new ATOM 0 HA THR A 61 -2.083 -7.798 -5.920 1.00 0.00 H new ATOM 0 HB THR A 61 -2.351 -8.333 -8.341 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.466 -7.955 -9.263 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.183 -9.978 -8.019 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.108 -9.912 -6.602 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.695 -9.109 -6.552 1.00 0.00 H new ATOM 697 N PRO A 62 -0.567 -6.136 -6.989 1.00 0.00 N ATOM 698 CA PRO A 62 0.373 -5.049 -7.296 1.00 0.00 C ATOM 699 C PRO A 62 0.325 -4.595 -8.745 1.00 0.00 C ATOM 700 O PRO A 62 -0.340 -5.208 -9.571 1.00 0.00 O ATOM 701 CB PRO A 62 1.752 -5.648 -6.976 1.00 0.00 C ATOM 702 CG PRO A 62 1.477 -6.853 -6.145 1.00 0.00 C ATOM 703 CD PRO A 62 0.135 -7.360 -6.581 1.00 0.00 C ATOM 0 HA PRO A 62 0.130 -4.156 -6.719 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.286 -5.914 -7.888 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.375 -4.934 -6.438 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.246 -7.611 -6.291 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.473 -6.603 -5.084 1.00 0.00 H new ATOM 0 HD2 PRO A 62 0.220 -8.069 -7.404 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.385 -7.872 -5.771 1.00 0.00 H new ATOM 711 N LEU A 63 1.046 -3.526 -9.028 1.00 0.00 N ATOM 712 CA LEU A 63 1.042 -2.867 -10.333 1.00 0.00 C ATOM 713 C LEU A 63 1.200 -3.862 -11.476 1.00 0.00 C ATOM 714 O LEU A 63 0.437 -3.834 -12.444 1.00 0.00 O ATOM 715 CB LEU A 63 2.184 -1.875 -10.362 1.00 0.00 C ATOM 716 CG LEU A 63 2.294 -1.029 -9.104 1.00 0.00 C ATOM 717 CD1 LEU A 63 3.657 -0.374 -9.045 1.00 0.00 C ATOM 718 CD2 LEU A 63 1.183 0.009 -9.066 1.00 0.00 C ATOM 0 H LEU A 63 1.663 -3.079 -8.350 1.00 0.00 H new ATOM 0 HA LEU A 63 0.083 -2.368 -10.470 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.119 -2.416 -10.508 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.059 -1.217 -11.222 1.00 0.00 H new ATOM 0 HG LEU A 63 2.182 -1.669 -8.229 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.731 0.231 -8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.430 -1.143 -9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.793 0.262 -9.920 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.275 0.607 -8.159 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.261 0.658 -9.938 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.216 -0.493 -9.073 1.00 0.00 H new ATOM 730 N MET A 64 2.190 -4.742 -11.343 1.00 0.00 N ATOM 731 CA MET A 64 2.450 -5.791 -12.337 1.00 0.00 C ATOM 732 C MET A 64 1.206 -6.636 -12.632 1.00 0.00 C ATOM 733 O MET A 64 1.135 -7.304 -13.662 1.00 0.00 O ATOM 734 CB MET A 64 3.605 -6.685 -11.869 1.00 0.00 C ATOM 735 CG MET A 64 3.519 -7.087 -10.405 1.00 0.00 C ATOM 736 SD MET A 64 5.009 -7.908 -9.822 1.00 0.00 S ATOM 737 CE MET A 64 4.654 -7.956 -8.073 1.00 0.00 C ATOM 0 H MET A 64 2.832 -4.752 -10.551 1.00 0.00 H new ATOM 0 HA MET A 64 2.728 -5.296 -13.268 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.626 -7.586 -12.482 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.547 -6.163 -12.038 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.337 -6.199 -9.799 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.665 -7.750 -10.264 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.563 -7.740 -7.511 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.895 -7.211 -7.835 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.288 -8.947 -7.803 1.00 0.00 H new ATOM 747 N SER A 65 0.237 -6.599 -11.716 1.00 0.00 N ATOM 748 CA SER A 65 -1.055 -7.273 -11.870 1.00 0.00 C ATOM 749 C SER A 65 -0.926 -8.786 -11.713 1.00 0.00 C ATOM 750 O SER A 65 -1.923 -9.510 -11.702 1.00 0.00 O ATOM 751 CB SER A 65 -1.705 -6.904 -13.214 1.00 0.00 C ATOM 752 OG SER A 65 -3.087 -7.232 -13.237 1.00 0.00 O ATOM 0 H SER A 65 0.328 -6.094 -10.835 1.00 0.00 H new ATOM 0 HA SER A 65 -1.708 -6.923 -11.070 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.581 -5.837 -13.397 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.193 -7.427 -14.022 1.00 0.00 H new ATOM 0 HG SER A 65 -3.240 -8.042 -12.707 1.00 0.00 H new ATOM 758 N ASP A 66 0.301 -9.253 -11.569 1.00 0.00 N ATOM 759 CA ASP A 66 0.563 -10.660 -11.321 1.00 0.00 C ATOM 760 C ASP A 66 1.383 -10.822 -10.046 1.00 0.00 C ATOM 761 O ASP A 66 2.610 -10.774 -10.051 1.00 0.00 O ATOM 762 CB ASP A 66 1.247 -11.335 -12.522 1.00 0.00 C ATOM 763 CG ASP A 66 2.597 -10.740 -12.902 1.00 0.00 C ATOM 764 OD1 ASP A 66 2.623 -9.716 -13.615 1.00 0.00 O ATOM 765 OD2 ASP A 66 3.638 -11.319 -12.523 1.00 0.00 O ATOM 0 H ASP A 66 1.139 -8.673 -11.620 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.393 -11.165 -11.184 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.381 -12.393 -12.299 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.582 -11.273 -13.384 1.00 0.00 H new ATOM 770 N PRO A 67 0.693 -10.980 -8.916 1.00 0.00 N ATOM 771 CA PRO A 67 1.341 -11.136 -7.618 1.00 0.00 C ATOM 772 C PRO A 67 2.041 -12.489 -7.484 1.00 0.00 C ATOM 773 O PRO A 67 3.088 -12.600 -6.846 1.00 0.00 O ATOM 774 CB PRO A 67 0.171 -11.036 -6.632 1.00 0.00 C ATOM 775 CG PRO A 67 -1.020 -11.482 -7.412 1.00 0.00 C ATOM 776 CD PRO A 67 -0.776 -11.009 -8.819 1.00 0.00 C ATOM 0 HA PRO A 67 2.122 -10.394 -7.452 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.333 -11.669 -5.760 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.046 -10.016 -6.267 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.130 -12.566 -7.375 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.937 -11.054 -7.007 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.214 -11.686 -9.553 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.210 -10.025 -8.994 1.00 0.00 H new ATOM 784 N PHE A 68 1.468 -13.506 -8.119 1.00 0.00 N ATOM 785 CA PHE A 68 1.954 -14.871 -8.001 1.00 0.00 C ATOM 786 C PHE A 68 3.195 -15.109 -8.860 1.00 0.00 C ATOM 787 O PHE A 68 3.638 -16.246 -9.019 1.00 0.00 O ATOM 788 CB PHE A 68 0.846 -15.835 -8.424 1.00 0.00 C ATOM 789 CG PHE A 68 -0.497 -15.501 -7.837 1.00 0.00 C ATOM 790 CD1 PHE A 68 -0.637 -15.288 -6.477 1.00 0.00 C ATOM 791 CD2 PHE A 68 -1.614 -15.392 -8.649 1.00 0.00 C ATOM 792 CE1 PHE A 68 -1.868 -14.976 -5.936 1.00 0.00 C ATOM 793 CE2 PHE A 68 -2.848 -15.080 -8.113 1.00 0.00 C ATOM 794 CZ PHE A 68 -2.976 -14.872 -6.755 1.00 0.00 C ATOM 0 H PHE A 68 0.656 -13.405 -8.728 1.00 0.00 H new ATOM 0 HA PHE A 68 2.233 -15.043 -6.962 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.769 -15.833 -9.511 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.122 -16.846 -8.126 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.226 -15.367 -5.832 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.519 -15.553 -9.713 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.965 -14.813 -4.873 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.712 -14.999 -8.756 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.940 -14.628 -6.333 1.00 0.00 H new ATOM 804 N GLY A 69 3.752 -14.043 -9.411 1.00 0.00 N ATOM 805 CA GLY A 69 4.927 -14.178 -10.240 1.00 0.00 C ATOM 806 C GLY A 69 6.200 -13.944 -9.455 1.00 0.00 C ATOM 807 O GLY A 69 7.269 -14.424 -9.833 1.00 0.00 O ATOM 0 H GLY A 69 3.411 -13.088 -9.299 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.949 -15.175 -10.679 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.873 -13.468 -11.065 1.00 0.00 H new ATOM 811 N THR A 70 6.083 -13.218 -8.354 1.00 0.00 N ATOM 812 CA THR A 70 7.239 -12.867 -7.545 1.00 0.00 C ATOM 813 C THR A 70 7.042 -13.311 -6.093 1.00 0.00 C ATOM 814 O THR A 70 5.968 -13.786 -5.718 1.00 0.00 O ATOM 815 CB THR A 70 7.493 -11.346 -7.590 1.00 0.00 C ATOM 816 OG1 THR A 70 8.781 -11.043 -7.036 1.00 0.00 O ATOM 817 CG2 THR A 70 6.427 -10.599 -6.815 1.00 0.00 C ATOM 0 H THR A 70 5.196 -12.860 -8.000 1.00 0.00 H new ATOM 0 HA THR A 70 8.104 -13.385 -7.959 1.00 0.00 H new ATOM 0 HB THR A 70 7.460 -11.029 -8.632 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.933 -10.075 -7.071 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.627 -9.528 -6.861 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.449 -10.805 -7.251 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.437 -10.926 -5.775 1.00 0.00 H new ATOM 825 N ASN A 71 8.083 -13.146 -5.287 1.00 0.00 N ATOM 826 CA ASN A 71 8.039 -13.502 -3.872 1.00 0.00 C ATOM 827 C ASN A 71 8.300 -12.274 -3.008 1.00 0.00 C ATOM 828 O ASN A 71 8.427 -12.377 -1.787 1.00 0.00 O ATOM 829 CB ASN A 71 9.077 -14.587 -3.535 1.00 0.00 C ATOM 830 CG ASN A 71 8.682 -15.977 -4.007 1.00 0.00 C ATOM 831 OD1 ASN A 71 8.006 -16.143 -5.024 1.00 0.00 O ATOM 832 ND2 ASN A 71 9.102 -16.991 -3.265 1.00 0.00 N ATOM 0 H ASN A 71 8.978 -12.764 -5.592 1.00 0.00 H new ATOM 0 HA ASN A 71 7.043 -13.894 -3.664 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.032 -14.317 -3.987 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.230 -14.609 -2.456 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.867 -17.948 -3.529 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.660 -16.815 -2.430 1.00 0.00 H new ATOM 839 N THR A 72 8.404 -11.119 -3.650 1.00 0.00 N ATOM 840 CA THR A 72 8.652 -9.870 -2.956 1.00 0.00 C ATOM 841 C THR A 72 7.711 -8.785 -3.473 1.00 0.00 C ATOM 842 O THR A 72 7.823 -8.345 -4.616 1.00 0.00 O ATOM 843 CB THR A 72 10.108 -9.430 -3.153 1.00 0.00 C ATOM 844 OG1 THR A 72 10.985 -10.536 -2.891 1.00 0.00 O ATOM 845 CG2 THR A 72 10.446 -8.294 -2.217 1.00 0.00 C ATOM 0 H THR A 72 8.319 -11.025 -4.662 1.00 0.00 H new ATOM 0 HA THR A 72 8.470 -10.023 -1.892 1.00 0.00 H new ATOM 0 HB THR A 72 10.235 -9.093 -4.182 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.915 -10.254 -3.019 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.483 -7.993 -2.369 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.789 -7.448 -2.420 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.310 -8.620 -1.186 1.00 0.00 H new ATOM 853 N TRP A 73 6.777 -8.372 -2.631 1.00 0.00 N ATOM 854 CA TRP A 73 5.748 -7.418 -3.032 1.00 0.00 C ATOM 855 C TRP A 73 6.042 -6.036 -2.470 1.00 0.00 C ATOM 856 O TRP A 73 6.459 -5.911 -1.323 1.00 0.00 O ATOM 857 CB TRP A 73 4.376 -7.905 -2.560 1.00 0.00 C ATOM 858 CG TRP A 73 3.930 -9.159 -3.245 1.00 0.00 C ATOM 859 CD1 TRP A 73 4.578 -9.822 -4.245 1.00 0.00 C ATOM 860 CD2 TRP A 73 2.735 -9.897 -2.988 1.00 0.00 C ATOM 861 NE1 TRP A 73 3.862 -10.928 -4.621 1.00 0.00 N ATOM 862 CE2 TRP A 73 2.729 -10.996 -3.866 1.00 0.00 C ATOM 863 CE3 TRP A 73 1.673 -9.740 -2.102 1.00 0.00 C ATOM 864 CZ2 TRP A 73 1.704 -11.929 -3.878 1.00 0.00 C ATOM 865 CZ3 TRP A 73 0.653 -10.667 -2.120 1.00 0.00 C ATOM 866 CH2 TRP A 73 0.677 -11.750 -3.002 1.00 0.00 C ATOM 0 H TRP A 73 6.708 -8.682 -1.662 1.00 0.00 H new ATOM 0 HA TRP A 73 5.746 -7.346 -4.120 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.409 -8.078 -1.484 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.639 -7.121 -2.735 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.520 -9.519 -4.678 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.132 -11.592 -5.347 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.649 -8.908 -1.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 1.719 -12.768 -4.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.179 -10.554 -1.441 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -0.136 -12.460 -2.989 1.00 0.00 H new ATOM 877 N PHE A 74 5.828 -5.003 -3.280 1.00 0.00 N ATOM 878 CA PHE A 74 6.126 -3.635 -2.862 1.00 0.00 C ATOM 879 C PHE A 74 4.851 -2.799 -2.810 1.00 0.00 C ATOM 880 O PHE A 74 4.147 -2.657 -3.811 1.00 0.00 O ATOM 881 CB PHE A 74 7.134 -2.987 -3.815 1.00 0.00 C ATOM 882 CG PHE A 74 8.303 -3.877 -4.148 1.00 0.00 C ATOM 883 CD1 PHE A 74 9.238 -4.220 -3.182 1.00 0.00 C ATOM 884 CD2 PHE A 74 8.455 -4.385 -5.429 1.00 0.00 C ATOM 885 CE1 PHE A 74 10.303 -5.049 -3.491 1.00 0.00 C ATOM 886 CE2 PHE A 74 9.517 -5.214 -5.742 1.00 0.00 C ATOM 887 CZ PHE A 74 10.440 -5.546 -4.772 1.00 0.00 C ATOM 0 H PHE A 74 5.452 -5.085 -4.224 1.00 0.00 H new ATOM 0 HA PHE A 74 6.561 -3.675 -1.864 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.624 -2.710 -4.738 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.505 -2.065 -3.367 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.134 -3.836 -2.178 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.735 -4.130 -6.192 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.026 -5.307 -2.731 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.624 -5.601 -6.745 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.269 -6.194 -5.014 1.00 0.00 H new ATOM 897 N TYR A 75 4.557 -2.263 -1.634 1.00 0.00 N ATOM 898 CA TYR A 75 3.361 -1.459 -1.417 1.00 0.00 C ATOM 899 C TYR A 75 3.718 -0.171 -0.683 1.00 0.00 C ATOM 900 O TYR A 75 4.863 0.015 -0.269 1.00 0.00 O ATOM 901 CB TYR A 75 2.337 -2.251 -0.612 1.00 0.00 C ATOM 902 CG TYR A 75 1.898 -3.531 -1.270 1.00 0.00 C ATOM 903 CD1 TYR A 75 1.150 -3.515 -2.438 1.00 0.00 C ATOM 904 CD2 TYR A 75 2.231 -4.751 -0.713 1.00 0.00 C ATOM 905 CE1 TYR A 75 0.746 -4.689 -3.038 1.00 0.00 C ATOM 906 CE2 TYR A 75 1.832 -5.935 -1.306 1.00 0.00 C ATOM 907 CZ TYR A 75 1.090 -5.897 -2.469 1.00 0.00 C ATOM 908 OH TYR A 75 0.688 -7.069 -3.061 1.00 0.00 O ATOM 0 H TYR A 75 5.140 -2.373 -0.804 1.00 0.00 H new ATOM 0 HA TYR A 75 2.930 -1.204 -2.385 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.760 -2.483 0.365 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.462 -1.624 -0.440 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.880 -2.569 -2.884 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.811 -4.780 0.198 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.164 -4.663 -3.947 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.099 -6.883 -0.862 1.00 0.00 H new ATOM 0 HH TYR A 75 1.335 -7.776 -2.859 1.00 0.00 H new ATOM 918 N VAL A 76 2.738 0.712 -0.511 1.00 0.00 N ATOM 919 CA VAL A 76 3.002 2.042 0.025 1.00 0.00 C ATOM 920 C VAL A 76 2.171 2.267 1.288 1.00 0.00 C ATOM 921 O VAL A 76 1.287 1.469 1.601 1.00 0.00 O ATOM 922 CB VAL A 76 2.670 3.133 -1.023 1.00 0.00 C ATOM 923 CG1 VAL A 76 3.369 4.440 -0.689 1.00 0.00 C ATOM 924 CG2 VAL A 76 3.045 2.677 -2.427 1.00 0.00 C ATOM 0 H VAL A 76 1.759 0.531 -0.734 1.00 0.00 H new ATOM 0 HA VAL A 76 4.062 2.110 0.271 1.00 0.00 H new ATOM 0 HB VAL A 76 1.593 3.301 -0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.119 5.189 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.043 4.787 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.448 4.283 -0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.801 3.463 -3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.114 2.468 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.489 1.773 -2.677 1.00 0.00 H new ATOM 934 N PHE A 77 2.461 3.338 2.019 1.00 0.00 N ATOM 935 CA PHE A 77 1.746 3.631 3.250 1.00 0.00 C ATOM 936 C PHE A 77 0.689 4.696 3.008 1.00 0.00 C ATOM 937 O PHE A 77 0.731 5.399 1.999 1.00 0.00 O ATOM 938 CB PHE A 77 2.715 4.086 4.344 1.00 0.00 C ATOM 939 CG PHE A 77 2.638 3.240 5.578 1.00 0.00 C ATOM 940 CD1 PHE A 77 2.472 1.875 5.469 1.00 0.00 C ATOM 941 CD2 PHE A 77 2.716 3.808 6.839 1.00 0.00 C ATOM 942 CE1 PHE A 77 2.387 1.081 6.592 1.00 0.00 C ATOM 943 CE2 PHE A 77 2.630 3.019 7.972 1.00 0.00 C ATOM 944 CZ PHE A 77 2.465 1.652 7.848 1.00 0.00 C ATOM 0 H PHE A 77 3.185 4.015 1.779 1.00 0.00 H new ATOM 0 HA PHE A 77 1.253 2.718 3.584 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.733 4.060 3.955 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.500 5.122 4.606 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.408 1.423 4.490 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.845 4.876 6.938 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.260 0.013 6.491 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.692 3.470 8.951 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.397 1.032 8.730 1.00 0.00 H new ATOM 954 N ARG A 78 -0.243 4.830 3.944 1.00 0.00 N ATOM 955 CA ARG A 78 -1.359 5.757 3.763 1.00 0.00 C ATOM 956 C ARG A 78 -0.876 7.203 3.784 1.00 0.00 C ATOM 957 O ARG A 78 0.230 7.481 4.235 1.00 0.00 O ATOM 958 CB ARG A 78 -2.438 5.563 4.840 1.00 0.00 C ATOM 959 CG ARG A 78 -3.793 6.081 4.400 1.00 0.00 C ATOM 960 CD ARG A 78 -4.868 5.911 5.454 1.00 0.00 C ATOM 961 NE ARG A 78 -6.192 6.170 4.885 1.00 0.00 N ATOM 962 CZ ARG A 78 -7.181 6.796 5.517 1.00 0.00 C ATOM 963 NH1 ARG A 78 -7.017 7.244 6.754 1.00 0.00 N ATOM 964 NH2 ARG A 78 -8.335 6.972 4.898 1.00 0.00 N ATOM 0 H ARG A 78 -0.252 4.317 4.826 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.798 5.539 2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.518 4.504 5.083 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.134 6.077 5.752 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.706 7.137 4.146 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.097 5.559 3.493 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.832 4.900 5.859 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.683 6.593 6.284 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.369 5.847 3.934 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.125 7.110 7.231 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.782 7.723 7.229 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.460 6.629 3.946 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.101 7.451 5.373 1.00 0.00 H new ATOM 978 N GLN A 79 -1.704 8.094 3.236 1.00 0.00 N ATOM 979 CA GLN A 79 -1.491 9.538 3.283 1.00 0.00 C ATOM 980 C GLN A 79 -0.938 9.997 4.634 1.00 0.00 C ATOM 981 O GLN A 79 -1.661 10.074 5.627 1.00 0.00 O ATOM 982 CB GLN A 79 -2.814 10.225 2.978 1.00 0.00 C ATOM 983 CG GLN A 79 -2.702 11.687 2.601 1.00 0.00 C ATOM 984 CD GLN A 79 -3.997 12.207 2.010 1.00 0.00 C ATOM 985 OE1 GLN A 79 -4.214 12.126 0.800 1.00 0.00 O ATOM 986 NE2 GLN A 79 -4.875 12.728 2.854 1.00 0.00 N ATOM 0 H GLN A 79 -2.554 7.826 2.740 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.742 9.810 2.539 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.304 9.692 2.164 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.461 10.139 3.851 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.442 12.273 3.483 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.894 11.818 1.882 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.658 12.777 3.849 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.768 13.080 2.508 1.00 0.00 H new ATOM 995 N GLN A 80 0.359 10.267 4.651 1.00 0.00 N ATOM 996 CA GLN A 80 1.064 10.686 5.841 1.00 0.00 C ATOM 997 C GLN A 80 1.867 11.961 5.554 1.00 0.00 C ATOM 998 O GLN A 80 2.255 12.222 4.415 1.00 0.00 O ATOM 999 CB GLN A 80 1.962 9.529 6.294 1.00 0.00 C ATOM 1000 CG GLN A 80 2.793 8.918 5.176 1.00 0.00 C ATOM 1001 CD GLN A 80 3.996 9.752 4.831 1.00 0.00 C ATOM 1002 OE1 GLN A 80 4.606 10.364 5.706 1.00 0.00 O ATOM 1003 NE2 GLN A 80 4.318 9.817 3.552 1.00 0.00 N ATOM 0 H GLN A 80 0.954 10.199 3.825 1.00 0.00 H new ATOM 0 HA GLN A 80 0.366 10.926 6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.631 9.887 7.077 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.340 8.751 6.737 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.119 7.921 5.473 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.171 8.799 4.289 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.781 9.290 2.863 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.104 10.394 3.253 1.00 0.00 H new ATOM 1012 N PRO A 81 2.076 12.778 6.604 1.00 0.00 N ATOM 1013 CA PRO A 81 2.692 14.120 6.509 1.00 0.00 C ATOM 1014 C PRO A 81 4.075 14.157 5.869 1.00 0.00 C ATOM 1015 O PRO A 81 4.457 15.166 5.275 1.00 0.00 O ATOM 1016 CB PRO A 81 2.790 14.573 7.968 1.00 0.00 C ATOM 1017 CG PRO A 81 1.768 13.776 8.698 1.00 0.00 C ATOM 1018 CD PRO A 81 1.672 12.461 7.984 1.00 0.00 C ATOM 0 HA PRO A 81 2.090 14.757 5.861 1.00 0.00 H new ATOM 0 HB2 PRO A 81 3.788 14.394 8.369 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.596 15.641 8.062 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.057 13.633 9.739 1.00 0.00 H new ATOM 0 HG3 PRO A 81 0.806 14.288 8.702 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.328 11.715 8.431 1.00 0.00 H new ATOM 0 HD3 PRO A 81 0.660 12.059 8.022 1.00 0.00 H new ATOM 1026 N GLY A 82 4.804 13.076 5.985 1.00 0.00 N ATOM 1027 CA GLY A 82 6.172 13.032 5.484 1.00 0.00 C ATOM 1028 C GLY A 82 7.071 14.043 6.172 1.00 0.00 C ATOM 1029 O GLY A 82 7.635 14.925 5.525 1.00 0.00 O ATOM 0 H GLY A 82 4.482 12.211 6.420 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.578 12.031 5.629 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.170 13.222 4.411 1.00 0.00 H new ATOM 1033 N HIS A 83 7.226 13.900 7.483 1.00 0.00 N ATOM 1034 CA HIS A 83 7.958 14.884 8.285 1.00 0.00 C ATOM 1035 C HIS A 83 9.455 14.568 8.360 1.00 0.00 C ATOM 1036 O HIS A 83 10.088 14.758 9.400 1.00 0.00 O ATOM 1037 CB HIS A 83 7.360 14.976 9.703 1.00 0.00 C ATOM 1038 CG HIS A 83 7.535 13.748 10.561 1.00 0.00 C ATOM 1039 ND1 HIS A 83 7.247 13.734 11.906 1.00 0.00 N ATOM 1040 CD2 HIS A 83 7.981 12.500 10.268 1.00 0.00 C ATOM 1041 CE1 HIS A 83 7.511 12.542 12.402 1.00 0.00 C ATOM 1042 NE2 HIS A 83 7.960 11.771 11.430 1.00 0.00 N ATOM 0 H HIS A 83 6.856 13.114 8.017 1.00 0.00 H new ATOM 0 HA HIS A 83 7.852 15.848 7.788 1.00 0.00 H new ATOM 0 HB2 HIS A 83 7.814 15.824 10.216 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.294 15.189 9.616 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.295 12.146 9.297 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.381 12.246 13.432 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.244 10.796 11.526 1.00 0.00 H new ATOM 1051 N GLU A 84 10.017 14.091 7.265 1.00 0.00 N ATOM 1052 CA GLU A 84 11.425 13.713 7.236 1.00 0.00 C ATOM 1053 C GLU A 84 12.000 13.930 5.836 1.00 0.00 C ATOM 1054 O GLU A 84 11.297 14.427 4.952 1.00 0.00 O ATOM 1055 CB GLU A 84 11.572 12.242 7.632 1.00 0.00 C ATOM 1056 CG GLU A 84 12.966 11.860 8.091 1.00 0.00 C ATOM 1057 CD GLU A 84 13.330 10.446 7.708 1.00 0.00 C ATOM 1058 OE1 GLU A 84 12.930 9.504 8.424 1.00 0.00 O ATOM 1059 OE2 GLU A 84 14.019 10.270 6.682 1.00 0.00 O ATOM 0 H GLU A 84 9.524 13.955 6.383 1.00 0.00 H new ATOM 0 HA GLU A 84 11.973 14.335 7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.865 12.020 8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.298 11.619 6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.690 12.549 7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.032 11.969 9.174 1.00 0.00 H new ATOM 1066 N GLY A 85 13.271 13.575 5.641 1.00 0.00 N ATOM 1067 CA GLY A 85 13.848 13.568 4.309 1.00 0.00 C ATOM 1068 C GLY A 85 13.119 12.583 3.424 1.00 0.00 C ATOM 1069 O GLY A 85 12.801 12.879 2.270 1.00 0.00 O ATOM 0 H GLY A 85 13.910 13.292 6.384 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.791 14.567 3.876 1.00 0.00 H new ATOM 0 HA3 GLY A 85 14.904 13.304 4.365 1.00 0.00 H new ATOM 1073 N VAL A 86 12.859 11.404 3.977 1.00 0.00 N ATOM 1074 CA VAL A 86 11.943 10.462 3.368 1.00 0.00 C ATOM 1075 C VAL A 86 10.552 10.700 3.918 1.00 0.00 C ATOM 1076 O VAL A 86 10.377 11.053 5.083 1.00 0.00 O ATOM 1077 CB VAL A 86 12.326 8.998 3.636 1.00 0.00 C ATOM 1078 CG1 VAL A 86 11.264 8.059 3.077 1.00 0.00 C ATOM 1079 CG2 VAL A 86 13.691 8.682 3.047 1.00 0.00 C ATOM 0 H VAL A 86 13.275 11.081 4.851 1.00 0.00 H new ATOM 0 HA VAL A 86 11.984 10.625 2.291 1.00 0.00 H new ATOM 0 HB VAL A 86 12.382 8.849 4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.551 7.026 3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.306 8.268 3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 86 11.174 8.210 2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 86 13.942 7.641 3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.670 8.848 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 86 14.441 9.330 3.500 1.00 0.00 H new ATOM 1089 N THR A 87 9.573 10.502 3.078 1.00 0.00 N ATOM 1090 CA THR A 87 8.203 10.735 3.448 1.00 0.00 C ATOM 1091 C THR A 87 7.463 9.419 3.695 1.00 0.00 C ATOM 1092 O THR A 87 7.029 9.149 4.813 1.00 0.00 O ATOM 1093 CB THR A 87 7.479 11.605 2.386 1.00 0.00 C ATOM 1094 OG1 THR A 87 6.074 11.658 2.646 1.00 0.00 O ATOM 1095 CG2 THR A 87 7.723 11.091 0.970 1.00 0.00 C ATOM 0 H THR A 87 9.701 10.176 2.120 1.00 0.00 H new ATOM 0 HA THR A 87 8.200 11.290 4.386 1.00 0.00 H new ATOM 0 HB THR A 87 7.895 12.610 2.458 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.581 11.430 1.830 1.00 0.00 H new ATOM 0 HG21 THR A 87 7.199 11.727 0.257 1.00 0.00 H new ATOM 0 HG22 THR A 87 8.792 11.109 0.756 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.353 10.069 0.885 1.00 0.00 H new ATOM 1103 N GLN A 88 7.364 8.584 2.670 1.00 0.00 N ATOM 1104 CA GLN A 88 6.556 7.389 2.730 1.00 0.00 C ATOM 1105 C GLN A 88 7.269 6.233 3.405 1.00 0.00 C ATOM 1106 O GLN A 88 8.476 6.262 3.641 1.00 0.00 O ATOM 1107 CB GLN A 88 6.175 6.983 1.319 1.00 0.00 C ATOM 1108 CG GLN A 88 5.054 7.813 0.726 1.00 0.00 C ATOM 1109 CD GLN A 88 3.670 7.308 1.058 1.00 0.00 C ATOM 1110 OE1 GLN A 88 3.508 6.732 2.227 1.00 0.00 O flip ATOM 1111 NE2 GLN A 88 2.749 7.455 0.271 1.00 0.00 N flip ATOM 0 H GLN A 88 7.842 8.721 1.780 1.00 0.00 H new ATOM 0 HA GLN A 88 5.673 7.618 3.327 1.00 0.00 H new ATOM 0 HB2 GLN A 88 7.053 7.064 0.678 1.00 0.00 H new ATOM 0 HB3 GLN A 88 5.877 5.935 1.320 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.149 8.839 1.081 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.169 7.839 -0.358 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.914 7.907 -0.628 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.814 7.125 0.512 1.00 0.00 H new ATOM 1120 N GLN A 89 6.491 5.211 3.694 1.00 0.00 N ATOM 1121 CA GLN A 89 6.990 3.973 4.218 1.00 0.00 C ATOM 1122 C GLN A 89 6.472 2.833 3.346 1.00 0.00 C ATOM 1123 O GLN A 89 5.267 2.686 3.158 1.00 0.00 O ATOM 1124 CB GLN A 89 6.553 3.812 5.674 1.00 0.00 C ATOM 1125 CG GLN A 89 6.729 2.408 6.205 1.00 0.00 C ATOM 1126 CD GLN A 89 6.379 2.285 7.678 1.00 0.00 C ATOM 1127 OE1 GLN A 89 5.925 1.238 8.135 1.00 0.00 O ATOM 1128 NE2 GLN A 89 6.597 3.350 8.435 1.00 0.00 N ATOM 0 H GLN A 89 5.479 5.225 3.567 1.00 0.00 H new ATOM 0 HA GLN A 89 8.080 3.961 4.201 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.125 4.501 6.295 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.505 4.097 5.764 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.103 1.726 5.630 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.762 2.095 6.055 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.975 4.202 8.020 1.00 0.00 H new ATOM 0 HE22 GLN A 89 6.387 3.318 9.433 1.00 0.00 H new ATOM 1137 N THR A 90 7.387 2.067 2.782 1.00 0.00 N ATOM 1138 CA THR A 90 7.040 0.999 1.865 1.00 0.00 C ATOM 1139 C THR A 90 6.824 -0.324 2.579 1.00 0.00 C ATOM 1140 O THR A 90 7.549 -0.664 3.517 1.00 0.00 O ATOM 1141 CB THR A 90 8.150 0.823 0.828 1.00 0.00 C ATOM 1142 OG1 THR A 90 9.429 1.003 1.454 1.00 0.00 O ATOM 1143 CG2 THR A 90 7.982 1.808 -0.305 1.00 0.00 C ATOM 0 H THR A 90 8.389 2.168 2.946 1.00 0.00 H new ATOM 0 HA THR A 90 6.105 1.283 1.383 1.00 0.00 H new ATOM 0 HB THR A 90 8.089 -0.185 0.417 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.406 0.627 2.359 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.782 1.666 -1.032 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.019 1.645 -0.789 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.024 2.824 0.087 1.00 0.00 H new ATOM 1151 N LEU A 91 5.833 -1.067 2.120 1.00 0.00 N ATOM 1152 CA LEU A 91 5.597 -2.407 2.616 1.00 0.00 C ATOM 1153 C LEU A 91 6.183 -3.411 1.636 1.00 0.00 C ATOM 1154 O LEU A 91 5.772 -3.472 0.479 1.00 0.00 O ATOM 1155 CB LEU A 91 4.103 -2.686 2.793 1.00 0.00 C ATOM 1156 CG LEU A 91 3.796 -4.004 3.498 1.00 0.00 C ATOM 1157 CD1 LEU A 91 3.960 -3.846 4.992 1.00 0.00 C ATOM 1158 CD2 LEU A 91 2.406 -4.519 3.181 1.00 0.00 C ATOM 0 H LEU A 91 5.177 -0.761 1.401 1.00 0.00 H new ATOM 0 HA LEU A 91 6.076 -2.499 3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.656 -1.870 3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.626 -2.691 1.813 1.00 0.00 H new ATOM 0 HG LEU A 91 4.508 -4.741 3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.738 -4.793 5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.985 -3.552 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.275 -3.079 5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.237 -5.459 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.665 -3.786 3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.315 -4.683 2.107 1.00 0.00 H new ATOM 1170 N THR A 92 7.150 -4.173 2.091 1.00 0.00 N ATOM 1171 CA THR A 92 7.764 -5.190 1.273 1.00 0.00 C ATOM 1172 C THR A 92 7.399 -6.558 1.812 1.00 0.00 C ATOM 1173 O THR A 92 7.872 -6.974 2.867 1.00 0.00 O ATOM 1174 CB THR A 92 9.292 -5.029 1.234 1.00 0.00 C ATOM 1175 OG1 THR A 92 9.618 -3.720 0.755 1.00 0.00 O ATOM 1176 CG2 THR A 92 9.928 -6.073 0.333 1.00 0.00 C ATOM 0 H THR A 92 7.531 -4.105 3.035 1.00 0.00 H new ATOM 0 HA THR A 92 7.392 -5.084 0.254 1.00 0.00 H new ATOM 0 HB THR A 92 9.681 -5.166 2.243 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.419 -3.768 0.192 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.009 -5.936 0.324 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.692 -7.069 0.707 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.540 -5.965 -0.680 1.00 0.00 H new ATOM 1184 N LEU A 93 6.538 -7.250 1.108 1.00 0.00 N ATOM 1185 CA LEU A 93 6.048 -8.510 1.600 1.00 0.00 C ATOM 1186 C LEU A 93 6.957 -9.645 1.162 1.00 0.00 C ATOM 1187 O LEU A 93 7.243 -9.798 -0.025 1.00 0.00 O ATOM 1188 CB LEU A 93 4.618 -8.753 1.139 1.00 0.00 C ATOM 1189 CG LEU A 93 3.786 -9.495 2.148 1.00 0.00 C ATOM 1190 CD1 LEU A 93 3.633 -8.647 3.392 1.00 0.00 C ATOM 1191 CD2 LEU A 93 2.444 -9.852 1.582 1.00 0.00 C ATOM 0 H LEU A 93 6.166 -6.965 0.202 1.00 0.00 H new ATOM 0 HA LEU A 93 6.048 -8.474 2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.145 -7.795 0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.635 -9.318 0.207 1.00 0.00 H new ATOM 0 HG LEU A 93 4.291 -10.426 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.030 -9.182 4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.616 -8.438 3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.142 -7.708 3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.863 -10.388 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.916 -8.942 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.576 -10.486 0.705 1.00 0.00 H new ATOM 1203 N THR A 94 7.423 -10.418 2.133 1.00 0.00 N ATOM 1204 CA THR A 94 8.335 -11.493 1.887 1.00 0.00 C ATOM 1205 C THR A 94 7.634 -12.845 2.025 1.00 0.00 C ATOM 1206 O THR A 94 7.026 -13.143 3.066 1.00 0.00 O ATOM 1207 CB THR A 94 9.508 -11.401 2.874 1.00 0.00 C ATOM 1208 OG1 THR A 94 10.331 -10.269 2.563 1.00 0.00 O ATOM 1209 CG2 THR A 94 10.322 -12.665 2.842 1.00 0.00 C ATOM 0 H THR A 94 7.169 -10.305 3.114 1.00 0.00 H new ATOM 0 HA THR A 94 8.709 -11.411 0.867 1.00 0.00 H new ATOM 0 HB THR A 94 9.107 -11.274 3.880 1.00 0.00 H new ATOM 0 HG1 THR A 94 11.074 -10.220 3.200 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.149 -12.583 3.547 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.692 -13.511 3.118 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.716 -12.819 1.837 1.00 0.00 H new ATOM 1217 N PHE A 95 7.718 -13.646 0.966 1.00 0.00 N ATOM 1218 CA PHE A 95 7.107 -14.967 0.935 1.00 0.00 C ATOM 1219 C PHE A 95 8.166 -16.054 0.846 1.00 0.00 C ATOM 1220 O PHE A 95 9.183 -15.897 0.167 1.00 0.00 O ATOM 1221 CB PHE A 95 6.159 -15.091 -0.254 1.00 0.00 C ATOM 1222 CG PHE A 95 4.894 -14.309 -0.099 1.00 0.00 C ATOM 1223 CD1 PHE A 95 3.835 -14.846 0.597 1.00 0.00 C ATOM 1224 CD2 PHE A 95 4.763 -13.046 -0.648 1.00 0.00 C ATOM 1225 CE1 PHE A 95 2.661 -14.149 0.751 1.00 0.00 C ATOM 1226 CE2 PHE A 95 3.587 -12.341 -0.500 1.00 0.00 C ATOM 1227 CZ PHE A 95 2.536 -12.897 0.203 1.00 0.00 C ATOM 0 H PHE A 95 8.211 -13.396 0.109 1.00 0.00 H new ATOM 0 HA PHE A 95 6.546 -15.093 1.861 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.674 -14.757 -1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.910 -16.142 -0.401 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.928 -15.831 1.029 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.586 -12.610 -1.195 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.840 -14.585 1.301 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.488 -11.356 -0.933 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.615 -12.346 0.322 1.00 0.00 H new ATOM 1237 N ASN A 96 7.927 -17.148 1.553 1.00 0.00 N ATOM 1238 CA ASN A 96 8.815 -18.307 1.501 1.00 0.00 C ATOM 1239 C ASN A 96 8.626 -19.094 0.208 1.00 0.00 C ATOM 1240 O ASN A 96 7.851 -18.691 -0.663 1.00 0.00 O ATOM 1241 CB ASN A 96 8.604 -19.226 2.713 1.00 0.00 C ATOM 1242 CG ASN A 96 7.171 -19.693 2.888 1.00 0.00 C ATOM 1243 OD1 ASN A 96 6.416 -19.843 1.923 1.00 0.00 O ATOM 1244 ND2 ASN A 96 6.792 -19.936 4.130 1.00 0.00 N ATOM 0 H ASN A 96 7.124 -17.261 2.172 1.00 0.00 H new ATOM 0 HA ASN A 96 9.837 -17.929 1.528 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.250 -20.098 2.612 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.917 -18.700 3.615 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.844 -20.261 4.320 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.448 -19.799 4.899 1.00 0.00 H new ATOM 1251 N SER A 97 9.313 -20.222 0.095 1.00 0.00 N ATOM 1252 CA SER A 97 9.266 -21.045 -1.105 1.00 0.00 C ATOM 1253 C SER A 97 7.839 -21.492 -1.451 1.00 0.00 C ATOM 1254 O SER A 97 7.476 -21.553 -2.626 1.00 0.00 O ATOM 1255 CB SER A 97 10.174 -22.261 -0.924 1.00 0.00 C ATOM 1256 OG SER A 97 11.494 -21.857 -0.586 1.00 0.00 O ATOM 0 H SER A 97 9.917 -20.591 0.830 1.00 0.00 H new ATOM 0 HA SER A 97 9.619 -20.438 -1.939 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.774 -22.906 -0.142 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.192 -22.848 -1.843 1.00 0.00 H new ATOM 0 HG SER A 97 12.060 -22.649 -0.473 1.00 0.00 H new ATOM 1262 N SER A 98 7.013 -21.756 -0.439 1.00 0.00 N ATOM 1263 CA SER A 98 5.674 -22.281 -0.675 1.00 0.00 C ATOM 1264 C SER A 98 4.731 -21.176 -1.152 1.00 0.00 C ATOM 1265 O SER A 98 3.700 -21.445 -1.771 1.00 0.00 O ATOM 1266 CB SER A 98 5.134 -22.934 0.605 1.00 0.00 C ATOM 1267 OG SER A 98 3.877 -23.555 0.383 1.00 0.00 O ATOM 0 H SER A 98 7.247 -21.615 0.544 1.00 0.00 H new ATOM 0 HA SER A 98 5.731 -23.035 -1.460 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.848 -23.674 0.966 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.035 -22.180 1.386 1.00 0.00 H new ATOM 0 HG SER A 98 3.562 -23.962 1.217 1.00 0.00 H new ATOM 1273 N GLY A 99 5.106 -19.931 -0.892 1.00 0.00 N ATOM 1274 CA GLY A 99 4.245 -18.813 -1.229 1.00 0.00 C ATOM 1275 C GLY A 99 3.455 -18.357 -0.028 1.00 0.00 C ATOM 1276 O GLY A 99 2.363 -17.805 -0.152 1.00 0.00 O ATOM 0 H GLY A 99 5.991 -19.674 -0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.847 -17.987 -1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.563 -19.103 -2.028 1.00 0.00 H new ATOM 1280 N VAL A 100 4.024 -18.602 1.139 1.00 0.00 N ATOM 1281 CA VAL A 100 3.390 -18.272 2.401 1.00 0.00 C ATOM 1282 C VAL A 100 4.084 -17.068 3.024 1.00 0.00 C ATOM 1283 O VAL A 100 5.305 -16.926 2.909 1.00 0.00 O ATOM 1284 CB VAL A 100 3.467 -19.457 3.377 1.00 0.00 C ATOM 1285 CG1 VAL A 100 2.497 -19.255 4.529 1.00 0.00 C ATOM 1286 CG2 VAL A 100 3.194 -20.763 2.649 1.00 0.00 C ATOM 0 H VAL A 100 4.941 -19.037 1.237 1.00 0.00 H new ATOM 0 HA VAL A 100 2.342 -18.041 2.208 1.00 0.00 H new ATOM 0 HB VAL A 100 4.474 -19.509 3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.562 -20.102 5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.751 -18.338 5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.481 -19.180 4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.252 -21.592 3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.198 -20.732 2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.936 -20.903 1.863 1.00 0.00 H new ATOM 1296 N LEU A 101 3.304 -16.193 3.646 1.00 0.00 N ATOM 1297 CA LEU A 101 3.842 -15.026 4.311 1.00 0.00 C ATOM 1298 C LEU A 101 4.789 -15.401 5.424 1.00 0.00 C ATOM 1299 O LEU A 101 4.435 -16.146 6.340 1.00 0.00 O ATOM 1300 CB LEU A 101 2.718 -14.171 4.868 1.00 0.00 C ATOM 1301 CG LEU A 101 2.402 -12.948 4.034 1.00 0.00 C ATOM 1302 CD1 LEU A 101 1.355 -12.103 4.721 1.00 0.00 C ATOM 1303 CD2 LEU A 101 3.659 -12.144 3.792 1.00 0.00 C ATOM 0 H LEU A 101 2.289 -16.276 3.701 1.00 0.00 H new ATOM 0 HA LEU A 101 4.401 -14.459 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.819 -14.782 4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.984 -13.852 5.876 1.00 0.00 H new ATOM 0 HG LEU A 101 2.006 -13.271 3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.137 -11.227 4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.445 -12.688 4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.727 -11.784 5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.420 -11.267 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.077 -11.826 4.747 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.388 -12.758 3.263 1.00 0.00 H new ATOM 1315 N THR A 102 5.993 -14.879 5.329 1.00 0.00 N ATOM 1316 CA THR A 102 7.000 -15.089 6.351 1.00 0.00 C ATOM 1317 C THR A 102 7.251 -13.805 7.114 1.00 0.00 C ATOM 1318 O THR A 102 7.380 -13.814 8.337 1.00 0.00 O ATOM 1319 CB THR A 102 8.321 -15.578 5.739 1.00 0.00 C ATOM 1320 OG1 THR A 102 8.985 -14.504 5.062 1.00 0.00 O ATOM 1321 CG2 THR A 102 8.042 -16.672 4.743 1.00 0.00 C ATOM 0 H THR A 102 6.302 -14.301 4.548 1.00 0.00 H new ATOM 0 HA THR A 102 6.624 -15.854 7.031 1.00 0.00 H new ATOM 0 HB THR A 102 8.957 -15.951 6.542 1.00 0.00 H new ATOM 0 HG1 THR A 102 8.351 -14.049 4.469 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.981 -17.018 4.310 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.546 -17.503 5.245 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.397 -16.288 3.952 1.00 0.00 H new ATOM 1329 N ASN A 103 7.311 -12.698 6.392 1.00 0.00 N ATOM 1330 CA ASN A 103 7.567 -11.413 7.032 1.00 0.00 C ATOM 1331 C ASN A 103 6.891 -10.265 6.297 1.00 0.00 C ATOM 1332 O ASN A 103 6.774 -10.272 5.070 1.00 0.00 O ATOM 1333 CB ASN A 103 9.072 -11.157 7.114 1.00 0.00 C ATOM 1334 CG ASN A 103 9.421 -9.989 8.020 1.00 0.00 C ATOM 1335 OD1 ASN A 103 9.510 -10.138 9.237 1.00 0.00 O ATOM 1336 ND2 ASN A 103 9.646 -8.824 7.434 1.00 0.00 N ATOM 0 H ASN A 103 7.189 -12.659 5.380 1.00 0.00 H new ATOM 0 HA ASN A 103 7.145 -11.460 8.036 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.570 -12.056 7.479 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.458 -10.963 6.113 1.00 0.00 H new ATOM 0 HD21 ASN A 103 9.903 -8.012 7.995 1.00 0.00 H new ATOM 0 HD22 ASN A 103 9.563 -8.738 6.421 1.00 0.00 H new ATOM 1343 N ILE A 104 6.459 -9.282 7.071 1.00 0.00 N ATOM 1344 CA ILE A 104 5.886 -8.056 6.529 1.00 0.00 C ATOM 1345 C ILE A 104 6.912 -6.941 6.703 1.00 0.00 C ATOM 1346 O ILE A 104 6.981 -6.320 7.762 1.00 0.00 O ATOM 1347 CB ILE A 104 4.594 -7.626 7.273 1.00 0.00 C ATOM 1348 CG1 ILE A 104 3.753 -8.832 7.736 1.00 0.00 C ATOM 1349 CG2 ILE A 104 3.758 -6.687 6.404 1.00 0.00 C ATOM 1350 CD1 ILE A 104 3.101 -9.631 6.629 1.00 0.00 C ATOM 0 H ILE A 104 6.495 -9.309 8.090 1.00 0.00 H new ATOM 0 HA ILE A 104 5.634 -8.237 5.484 1.00 0.00 H new ATOM 0 HB ILE A 104 4.906 -7.092 8.170 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.392 -9.499 8.314 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.974 -8.474 8.409 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.857 -6.397 6.944 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.340 -5.797 6.166 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.480 -7.196 5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.534 -10.456 7.061 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.429 -8.986 6.062 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.869 -10.028 5.965 1.00 0.00 H new ATOM 1362 N ASP A 105 7.711 -6.688 5.681 1.00 0.00 N ATOM 1363 CA ASP A 105 8.834 -5.763 5.810 1.00 0.00 C ATOM 1364 C ASP A 105 8.393 -4.335 5.545 1.00 0.00 C ATOM 1365 O ASP A 105 8.264 -3.919 4.401 1.00 0.00 O ATOM 1366 CB ASP A 105 9.941 -6.150 4.833 1.00 0.00 C ATOM 1367 CG ASP A 105 11.279 -5.524 5.164 1.00 0.00 C ATOM 1368 OD1 ASP A 105 11.462 -4.314 4.924 1.00 0.00 O ATOM 1369 OD2 ASP A 105 12.171 -6.253 5.635 1.00 0.00 O ATOM 0 H ASP A 105 7.608 -7.105 4.756 1.00 0.00 H new ATOM 0 HA ASP A 105 9.212 -5.824 6.831 1.00 0.00 H new ATOM 0 HB2 ASP A 105 10.047 -7.235 4.826 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.648 -5.852 3.826 1.00 0.00 H new ATOM 1374 N ASN A 106 8.149 -3.588 6.598 1.00 0.00 N ATOM 1375 CA ASN A 106 7.748 -2.209 6.456 1.00 0.00 C ATOM 1376 C ASN A 106 8.890 -1.285 6.847 1.00 0.00 C ATOM 1377 O ASN A 106 9.244 -1.147 8.018 1.00 0.00 O ATOM 1378 CB ASN A 106 6.476 -1.924 7.260 1.00 0.00 C ATOM 1379 CG ASN A 106 6.535 -2.391 8.703 1.00 0.00 C ATOM 1380 OD1 ASN A 106 6.896 -1.635 9.602 1.00 0.00 O ATOM 1381 ND2 ASN A 106 6.172 -3.644 8.939 1.00 0.00 N ATOM 0 H ASN A 106 8.222 -3.913 7.562 1.00 0.00 H new ATOM 0 HA ASN A 106 7.512 -2.017 5.409 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.282 -0.851 7.245 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.632 -2.407 6.768 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.187 -4.008 9.892 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.878 -4.244 8.168 1.00 0.00 H new ATOM 1388 N LYS A 107 9.485 -0.685 5.836 1.00 0.00 N ATOM 1389 CA LYS A 107 10.621 0.201 6.015 1.00 0.00 C ATOM 1390 C LYS A 107 10.399 1.472 5.189 1.00 0.00 C ATOM 1391 O LYS A 107 9.486 1.510 4.363 1.00 0.00 O ATOM 1392 CB LYS A 107 11.918 -0.516 5.598 1.00 0.00 C ATOM 1393 CG LYS A 107 12.148 -0.563 4.103 1.00 0.00 C ATOM 1394 CD LYS A 107 11.207 -1.529 3.404 1.00 0.00 C ATOM 1395 CE LYS A 107 11.478 -1.596 1.909 1.00 0.00 C ATOM 1396 NZ LYS A 107 12.836 -2.115 1.600 1.00 0.00 N ATOM 0 H LYS A 107 9.195 -0.797 4.865 1.00 0.00 H new ATOM 0 HA LYS A 107 10.717 0.478 7.065 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.764 -0.015 6.069 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.896 -1.535 5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.016 0.435 3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 107 13.179 -0.857 3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.317 -2.523 3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.176 -1.219 3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.732 -2.235 1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.366 -0.601 1.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.896 -2.349 0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.545 -1.390 1.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.018 -2.969 2.165 1.00 0.00 H new ATOM 1410 N PRO A 108 11.223 2.519 5.371 1.00 0.00 N ATOM 1411 CA PRO A 108 10.995 3.806 4.716 1.00 0.00 C ATOM 1412 C PRO A 108 11.173 3.733 3.203 1.00 0.00 C ATOM 1413 O PRO A 108 11.934 2.913 2.683 1.00 0.00 O ATOM 1414 CB PRO A 108 12.036 4.736 5.340 1.00 0.00 C ATOM 1415 CG PRO A 108 13.091 3.846 5.896 1.00 0.00 C ATOM 1416 CD PRO A 108 12.441 2.524 6.197 1.00 0.00 C ATOM 0 HA PRO A 108 9.971 4.150 4.862 1.00 0.00 H new ATOM 0 HB2 PRO A 108 12.450 5.416 4.595 1.00 0.00 H new ATOM 0 HB3 PRO A 108 11.592 5.352 6.122 1.00 0.00 H new ATOM 0 HG2 PRO A 108 13.905 3.721 5.182 1.00 0.00 H new ATOM 0 HG3 PRO A 108 13.522 4.278 6.799 1.00 0.00 H new ATOM 0 HD2 PRO A 108 13.097 1.692 5.943 1.00 0.00 H new ATOM 0 HD3 PRO A 108 12.203 2.430 7.257 1.00 0.00 H new ATOM 1424 N ALA A 109 10.446 4.591 2.512 1.00 0.00 N ATOM 1425 CA ALA A 109 10.457 4.639 1.062 1.00 0.00 C ATOM 1426 C ALA A 109 11.598 5.456 0.526 1.00 0.00 C ATOM 1427 O ALA A 109 12.550 5.794 1.230 1.00 0.00 O ATOM 1428 CB ALA A 109 9.175 5.251 0.560 1.00 0.00 C ATOM 0 H ALA A 109 9.828 5.278 2.943 1.00 0.00 H new ATOM 0 HA ALA A 109 10.568 3.612 0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 109 9.190 5.284 -0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.330 4.649 0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.077 6.263 0.952 1.00 0.00 H new ATOM 1434 N LEU A 110 11.471 5.752 -0.742 1.00 0.00 N ATOM 1435 CA LEU A 110 12.301 6.726 -1.401 1.00 0.00 C ATOM 1436 C LEU A 110 12.020 8.102 -0.802 1.00 0.00 C ATOM 1437 O LEU A 110 10.998 8.315 -0.141 1.00 0.00 O ATOM 1438 CB LEU A 110 11.975 6.718 -2.892 1.00 0.00 C ATOM 1439 CG LEU A 110 11.900 5.323 -3.518 1.00 0.00 C ATOM 1440 CD1 LEU A 110 11.335 5.392 -4.923 1.00 0.00 C ATOM 1441 CD2 LEU A 110 13.267 4.662 -3.538 1.00 0.00 C ATOM 0 H LEU A 110 10.779 5.318 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 110 13.356 6.489 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.021 7.223 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.732 7.299 -3.420 1.00 0.00 H new ATOM 0 HG LEU A 110 11.233 4.719 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 110 11.291 4.389 -5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.332 5.817 -4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.975 6.020 -5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 110 13.186 3.672 -3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 110 13.957 5.271 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 110 13.641 4.568 -2.518 1.00 0.00 H new ATOM 1453 N SER A 111 12.928 9.024 -1.042 1.00 0.00 N ATOM 1454 CA SER A 111 12.843 10.370 -0.508 1.00 0.00 C ATOM 1455 C SER A 111 11.747 11.171 -1.205 1.00 0.00 C ATOM 1456 O SER A 111 11.481 12.325 -0.867 1.00 0.00 O ATOM 1457 CB SER A 111 14.197 11.050 -0.677 1.00 0.00 C ATOM 1458 OG SER A 111 15.249 10.184 -0.272 1.00 0.00 O ATOM 0 H SER A 111 13.754 8.861 -1.618 1.00 0.00 H new ATOM 0 HA SER A 111 12.585 10.321 0.550 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.337 11.338 -1.719 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.226 11.966 -0.087 1.00 0.00 H new ATOM 0 HG SER A 111 16.110 10.638 -0.390 1.00 0.00 H new ATOM 1464 N GLY A 112 11.123 10.533 -2.172 1.00 0.00 N ATOM 1465 CA GLY A 112 10.029 11.125 -2.904 1.00 0.00 C ATOM 1466 C GLY A 112 9.247 10.065 -3.647 1.00 0.00 C ATOM 1467 O GLY A 112 9.065 8.958 -3.137 1.00 0.00 O ATOM 0 H GLY A 112 11.362 9.588 -2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 112 9.370 11.655 -2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 112 10.413 11.862 -3.609 1.00 0.00 H new ATOM 1471 N ASN A 113 8.797 10.385 -4.846 1.00 0.00 N ATOM 1472 CA ASN A 113 8.096 9.419 -5.677 1.00 0.00 C ATOM 1473 C ASN A 113 8.324 9.742 -7.147 1.00 0.00 C ATOM 1474 O ASN A 113 7.356 9.731 -7.932 1.00 0.00 O ATOM 1475 CB ASN A 113 6.593 9.394 -5.340 1.00 0.00 C ATOM 1476 CG ASN A 113 5.865 10.694 -5.657 1.00 0.00 C ATOM 1477 OD1 ASN A 113 6.459 11.773 -5.694 1.00 0.00 O ATOM 1478 ND2 ASN A 113 4.562 10.595 -5.877 1.00 0.00 N ATOM 1479 OXT ASN A 113 9.482 10.048 -7.503 1.00 0.00 O ATOM 0 H ASN A 113 8.904 11.307 -5.268 1.00 0.00 H new ATOM 0 HA ASN A 113 8.494 8.425 -5.474 1.00 0.00 H new ATOM 0 HB2 ASN A 113 6.121 8.581 -5.892 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.473 9.171 -4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.015 11.430 -6.086 1.00 0.00 H new ATOM 0 HD22 ASN A 113 4.106 9.683 -5.838 1.00 0.00 H new TER 1486 ASN A 113