USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 56 SER OG : rot 180:sc= -0.335 USER MOD Set 2.2: A 85 MET CE :methyl -111:sc= -1.49 (180deg=-6.32!) USER MOD Single : A 4 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0743) USER MOD Single : A 7 LYS NZ :NH3+ -160:sc= -2.28 (180deg=-2.82) USER MOD Single : A 15 SER OG : rot -75:sc= 0.793 USER MOD Single : A 16 THR OG1 : rot -22:sc= 0.776 USER MOD Single : A 17 MET CE :methyl -123:sc= -0.101 (180deg=-2.71!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.328 X(o=-0.33,f=0.0084) USER MOD Single : A 32 ASN : amide:sc= -0.111 K(o=-0.11,f=-2.1!) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.0947 F(o=-1.9,f=-0.095) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 51 TYR OH : rot 66:sc= -2.18! USER MOD Single : A 59 ASN : amide:sc= -1.25 K(o=-1.2,f=-2.2) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -6.23! C(o=-6.2!,f=-11!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 94:sc= 1.09 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -149:sc= -0.449 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -0.0675 K(o=-0.068,f=-2.5!) USER MOD Single : A 100 GLN : amide:sc= -0.0464 K(o=-0.046,f=-2!) USER MOD Single : A 104 SER OG : rot -163:sc= -6.07! USER MOD Single : A 106 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 109 LYS NZ :NH3+ 161:sc= -0.0658 (180deg=-0.728) USER MOD Single : A 119 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.224) USER MOD Single : A 121 ASN :FLIP amide:sc= -0.0874 F(o=-0.85,f=-0.087) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl -138:sc= -1.21 (180deg=-3.79!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.386 -0.132 7.980 1.00 0.00 N ATOM 2 CA ALA A 2 -13.622 0.829 8.825 1.00 0.00 C ATOM 3 C ALA A 2 -13.986 2.260 8.416 1.00 0.00 C ATOM 4 O ALA A 2 -14.945 2.481 7.704 1.00 0.00 O ATOM 5 CB ALA A 2 -12.121 0.592 8.627 1.00 0.00 C ATOM 0 HA ALA A 2 -13.872 0.682 9.876 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.558 1.293 9.243 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.872 -0.429 8.918 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.864 0.743 7.579 1.00 0.00 H new ATOM 11 N ASP A 3 -13.229 3.230 8.859 1.00 0.00 N ATOM 12 CA ASP A 3 -13.532 4.647 8.495 1.00 0.00 C ATOM 13 C ASP A 3 -13.858 4.730 7.002 1.00 0.00 C ATOM 14 O ASP A 3 -13.370 3.952 6.216 1.00 0.00 O ATOM 15 CB ASP A 3 -12.312 5.520 8.799 1.00 0.00 C ATOM 16 CG ASP A 3 -12.757 6.787 9.531 1.00 0.00 C ATOM 17 OD1 ASP A 3 -12.849 6.744 10.747 1.00 0.00 O ATOM 18 OD2 ASP A 3 -12.997 7.780 8.865 1.00 0.00 O ATOM 0 H ASP A 3 -12.413 3.102 9.458 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.386 4.999 9.074 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.599 4.966 9.410 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.801 5.783 7.873 1.00 0.00 H new ATOM 23 N LYS A 4 -14.692 5.654 6.607 1.00 0.00 N ATOM 24 CA LYS A 4 -15.037 5.776 5.159 1.00 0.00 C ATOM 25 C LYS A 4 -14.069 6.742 4.466 1.00 0.00 C ATOM 26 O LYS A 4 -14.291 7.137 3.339 1.00 0.00 O ATOM 27 CB LYS A 4 -16.467 6.296 4.982 1.00 0.00 C ATOM 28 CG LYS A 4 -17.438 5.530 5.900 1.00 0.00 C ATOM 29 CD LYS A 4 -18.517 4.806 5.077 1.00 0.00 C ATOM 30 CE LYS A 4 -17.946 3.496 4.533 1.00 0.00 C ATOM 31 NZ LYS A 4 -17.956 2.468 5.612 1.00 0.00 N ATOM 0 H LYS A 4 -15.149 6.328 7.221 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.958 4.786 4.711 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.504 7.361 5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.775 6.183 3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.884 4.806 6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.910 6.224 6.596 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.390 4.605 5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.850 5.440 4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.537 3.154 3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -16.929 3.651 4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.097 1.885 5.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.983 2.938 6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -18.795 1.862 5.506 1.00 0.00 H new ATOM 45 N GLU A 5 -13.022 7.160 5.127 1.00 0.00 N ATOM 46 CA GLU A 5 -12.083 8.128 4.481 1.00 0.00 C ATOM 47 C GLU A 5 -10.654 7.903 4.977 1.00 0.00 C ATOM 48 O GLU A 5 -9.978 8.825 5.387 1.00 0.00 O ATOM 49 CB GLU A 5 -12.515 9.554 4.823 1.00 0.00 C ATOM 50 CG GLU A 5 -12.563 9.724 6.342 1.00 0.00 C ATOM 51 CD GLU A 5 -11.604 10.839 6.762 1.00 0.00 C ATOM 52 OE1 GLU A 5 -11.940 11.993 6.550 1.00 0.00 O ATOM 53 OE2 GLU A 5 -10.551 10.521 7.290 1.00 0.00 O ATOM 0 H GLU A 5 -12.777 6.878 6.076 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.109 7.976 3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.818 10.270 4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.495 9.761 4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.578 9.964 6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.288 8.790 6.832 1.00 0.00 H new ATOM 60 N LEU A 6 -10.187 6.692 4.932 1.00 0.00 N ATOM 61 CA LEU A 6 -8.805 6.408 5.384 1.00 0.00 C ATOM 62 C LEU A 6 -7.836 6.824 4.272 1.00 0.00 C ATOM 63 O LEU A 6 -7.807 6.236 3.222 1.00 0.00 O ATOM 64 CB LEU A 6 -8.686 4.910 5.671 1.00 0.00 C ATOM 65 CG LEU A 6 -7.298 4.573 6.219 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.056 5.312 7.533 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.219 3.072 6.473 1.00 0.00 C ATOM 0 H LEU A 6 -10.708 5.881 4.599 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.565 6.963 6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.449 4.611 6.390 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.869 4.344 4.758 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.543 4.877 5.494 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.065 5.064 7.913 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.121 6.387 7.363 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.809 5.014 8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.233 2.821 6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.981 2.785 7.198 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.386 2.536 5.539 1.00 0.00 H new ATOM 79 N LYS A 7 -7.066 7.852 4.485 1.00 0.00 N ATOM 80 CA LYS A 7 -6.125 8.331 3.425 1.00 0.00 C ATOM 81 C LYS A 7 -5.308 7.174 2.824 1.00 0.00 C ATOM 82 O LYS A 7 -4.532 6.527 3.507 1.00 0.00 O ATOM 83 CB LYS A 7 -5.176 9.358 4.040 1.00 0.00 C ATOM 84 CG LYS A 7 -5.827 10.745 3.985 1.00 0.00 C ATOM 85 CD LYS A 7 -5.120 11.698 4.955 1.00 0.00 C ATOM 86 CE LYS A 7 -3.719 12.017 4.434 1.00 0.00 C ATOM 87 NZ LYS A 7 -3.124 13.110 5.254 1.00 0.00 N ATOM 0 H LYS A 7 -7.045 8.388 5.353 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.709 8.777 2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.951 9.090 5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.230 9.366 3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.773 11.140 2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.884 10.670 4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.697 12.617 5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.056 11.244 5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.090 11.128 4.481 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.768 12.318 3.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.349 13.559 4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.853 13.820 5.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.753 12.715 6.142 1.00 0.00 H new ATOM 101 N PHE A 8 -5.463 6.931 1.536 1.00 0.00 N ATOM 102 CA PHE A 8 -4.693 5.844 0.862 1.00 0.00 C ATOM 103 C PHE A 8 -3.705 6.456 -0.129 1.00 0.00 C ATOM 104 O PHE A 8 -3.961 7.493 -0.707 1.00 0.00 O ATOM 105 CB PHE A 8 -5.630 4.957 0.024 1.00 0.00 C ATOM 106 CG PHE A 8 -6.442 4.023 0.885 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.683 4.432 1.365 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.965 2.745 1.186 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.445 3.569 2.156 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.731 1.878 1.977 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.969 2.294 2.465 1.00 0.00 C ATOM 0 H PHE A 8 -6.096 7.447 0.926 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.193 5.266 1.639 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.301 5.588 -0.559 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.041 4.376 -0.686 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.057 5.417 1.126 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.005 2.425 0.809 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.406 3.890 2.530 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.363 0.889 2.208 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.558 1.631 3.081 1.00 0.00 H new ATOM 121 N LEU A 9 -2.609 5.789 -0.369 1.00 0.00 N ATOM 122 CA LEU A 9 -1.633 6.289 -1.381 1.00 0.00 C ATOM 123 C LEU A 9 -1.421 5.184 -2.413 1.00 0.00 C ATOM 124 O LEU A 9 -0.809 4.171 -2.139 1.00 0.00 O ATOM 125 CB LEU A 9 -0.298 6.647 -0.728 1.00 0.00 C ATOM 126 CG LEU A 9 0.670 7.171 -1.793 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.114 8.442 -2.431 1.00 0.00 C ATOM 128 CD2 LEU A 9 1.998 7.493 -1.136 1.00 0.00 C ATOM 0 H LEU A 9 -2.346 4.918 0.092 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.025 7.191 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.450 7.402 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.125 5.771 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 9 0.800 6.410 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.811 8.805 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.846 8.224 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.020 9.205 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.694 7.867 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.850 8.253 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.406 6.591 -0.680 1.00 0.00 H new ATOM 140 N VAL A 10 -1.934 5.366 -3.595 1.00 0.00 N ATOM 141 CA VAL A 10 -1.776 4.320 -4.642 1.00 0.00 C ATOM 142 C VAL A 10 -0.507 4.596 -5.455 1.00 0.00 C ATOM 143 O VAL A 10 -0.443 5.547 -6.209 1.00 0.00 O ATOM 144 CB VAL A 10 -3.004 4.360 -5.552 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.403 2.938 -5.943 1.00 0.00 C ATOM 146 CG2 VAL A 10 -4.164 5.018 -4.800 1.00 0.00 C ATOM 0 H VAL A 10 -2.456 6.194 -3.882 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.688 3.335 -4.184 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.771 4.931 -6.451 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.279 2.971 -6.591 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.578 2.461 -6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.638 2.366 -5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.043 5.050 -5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.391 4.441 -3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.885 6.033 -4.517 1.00 0.00 H new ATOM 156 N VAL A 11 0.506 3.771 -5.307 1.00 0.00 N ATOM 157 CA VAL A 11 1.770 3.988 -6.067 1.00 0.00 C ATOM 158 C VAL A 11 1.992 2.837 -7.050 1.00 0.00 C ATOM 159 O VAL A 11 2.130 1.692 -6.664 1.00 0.00 O ATOM 160 CB VAL A 11 2.953 4.080 -5.095 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.240 4.399 -5.861 1.00 0.00 C ATOM 162 CG2 VAL A 11 2.684 5.192 -4.082 1.00 0.00 C ATOM 0 H VAL A 11 0.507 2.958 -4.691 1.00 0.00 H new ATOM 0 HA VAL A 11 1.694 4.921 -6.625 1.00 0.00 H new ATOM 0 HB VAL A 11 3.069 3.125 -4.582 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.074 4.462 -5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.435 3.611 -6.588 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.128 5.351 -6.379 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.522 5.262 -3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.566 6.141 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.772 4.967 -3.529 1.00 0.00 H new ATOM 172 N ASP A 12 2.021 3.136 -8.320 1.00 0.00 N ATOM 173 CA ASP A 12 2.228 2.070 -9.339 1.00 0.00 C ATOM 174 C ASP A 12 2.863 2.683 -10.590 1.00 0.00 C ATOM 175 O ASP A 12 2.775 3.873 -10.817 1.00 0.00 O ATOM 176 CB ASP A 12 0.880 1.449 -9.706 1.00 0.00 C ATOM 177 CG ASP A 12 -0.225 2.114 -8.882 1.00 0.00 C ATOM 178 OD1 ASP A 12 -0.533 3.263 -9.157 1.00 0.00 O ATOM 179 OD2 ASP A 12 -0.744 1.464 -7.990 1.00 0.00 O ATOM 0 H ASP A 12 1.910 4.077 -8.697 1.00 0.00 H new ATOM 0 HA ASP A 12 2.885 1.300 -8.935 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.684 1.580 -10.770 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.897 0.376 -9.514 1.00 0.00 H new ATOM 184 N ASP A 13 3.499 1.875 -11.398 1.00 0.00 N ATOM 185 CA ASP A 13 4.144 2.400 -12.639 1.00 0.00 C ATOM 186 C ASP A 13 3.320 1.983 -13.859 1.00 0.00 C ATOM 187 O ASP A 13 3.715 2.195 -14.989 1.00 0.00 O ATOM 188 CB ASP A 13 5.555 1.822 -12.757 1.00 0.00 C ATOM 189 CG ASP A 13 6.480 2.858 -13.399 1.00 0.00 C ATOM 190 OD1 ASP A 13 6.522 3.972 -12.907 1.00 0.00 O ATOM 191 OD2 ASP A 13 7.131 2.517 -14.374 1.00 0.00 O ATOM 0 H ASP A 13 3.600 0.871 -11.251 1.00 0.00 H new ATOM 0 HA ASP A 13 4.196 3.488 -12.591 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.930 1.546 -11.771 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.538 0.913 -13.358 1.00 0.00 H new ATOM 196 N PHE A 14 2.178 1.389 -13.641 1.00 0.00 N ATOM 197 CA PHE A 14 1.331 0.956 -14.787 1.00 0.00 C ATOM 198 C PHE A 14 0.538 2.150 -15.318 1.00 0.00 C ATOM 199 O PHE A 14 0.091 2.157 -16.449 1.00 0.00 O ATOM 200 CB PHE A 14 0.362 -0.132 -14.319 1.00 0.00 C ATOM 201 CG PHE A 14 0.757 -1.455 -14.930 1.00 0.00 C ATOM 202 CD1 PHE A 14 0.500 -1.705 -16.282 1.00 0.00 C ATOM 203 CD2 PHE A 14 1.382 -2.430 -14.144 1.00 0.00 C ATOM 204 CE1 PHE A 14 0.866 -2.931 -16.850 1.00 0.00 C ATOM 205 CE2 PHE A 14 1.748 -3.656 -14.710 1.00 0.00 C ATOM 206 CZ PHE A 14 1.491 -3.907 -16.063 1.00 0.00 C ATOM 0 H PHE A 14 1.795 1.185 -12.718 1.00 0.00 H new ATOM 0 HA PHE A 14 1.967 0.563 -15.580 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.376 -0.203 -13.231 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.657 0.125 -14.609 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.019 -0.952 -16.888 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.582 -2.236 -13.101 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.667 -3.124 -17.894 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.229 -4.409 -14.103 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.775 -4.853 -16.500 1.00 0.00 H new ATOM 216 N SER A 15 0.360 3.161 -14.511 1.00 0.00 N ATOM 217 CA SER A 15 -0.404 4.360 -14.961 1.00 0.00 C ATOM 218 C SER A 15 -1.900 4.038 -14.982 1.00 0.00 C ATOM 219 O SER A 15 -2.720 4.840 -14.581 1.00 0.00 O ATOM 220 CB SER A 15 0.051 4.763 -16.365 1.00 0.00 C ATOM 221 OG SER A 15 -0.817 4.176 -17.325 1.00 0.00 O ATOM 0 H SER A 15 0.713 3.208 -13.555 1.00 0.00 H new ATOM 0 HA SER A 15 -0.220 5.183 -14.271 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.042 5.848 -16.465 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.076 4.435 -16.536 1.00 0.00 H new ATOM 0 HG SER A 15 -0.612 3.222 -17.411 1.00 0.00 H new ATOM 227 N THR A 16 -2.259 2.870 -15.445 1.00 0.00 N ATOM 228 CA THR A 16 -3.702 2.494 -15.491 1.00 0.00 C ATOM 229 C THR A 16 -4.043 1.633 -14.274 1.00 0.00 C ATOM 230 O THR A 16 -5.162 1.187 -14.110 1.00 0.00 O ATOM 231 CB THR A 16 -3.983 1.699 -16.769 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.337 1.269 -16.767 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.060 0.481 -16.830 1.00 0.00 C ATOM 0 H THR A 16 -1.615 2.160 -15.793 1.00 0.00 H new ATOM 0 HA THR A 16 -4.312 3.397 -15.482 1.00 0.00 H new ATOM 0 HB THR A 16 -3.802 2.332 -17.638 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.677 1.264 -15.848 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.262 -0.083 -17.740 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.021 0.811 -16.831 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.238 -0.154 -15.962 1.00 0.00 H new ATOM 241 N MET A 17 -3.088 1.393 -13.418 1.00 0.00 N ATOM 242 CA MET A 17 -3.364 0.559 -12.213 1.00 0.00 C ATOM 243 C MET A 17 -4.052 1.417 -11.151 1.00 0.00 C ATOM 244 O MET A 17 -4.765 0.916 -10.304 1.00 0.00 O ATOM 245 CB MET A 17 -2.046 0.014 -11.658 1.00 0.00 C ATOM 246 CG MET A 17 -2.238 -0.400 -10.197 1.00 0.00 C ATOM 247 SD MET A 17 -0.941 -1.574 -9.728 1.00 0.00 S ATOM 248 CE MET A 17 -1.202 -1.505 -7.937 1.00 0.00 C ATOM 0 H MET A 17 -2.131 1.737 -13.500 1.00 0.00 H new ATOM 0 HA MET A 17 -4.013 -0.273 -12.484 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.716 -0.841 -12.249 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.267 0.772 -11.732 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.200 0.477 -9.551 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.220 -0.853 -10.062 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.274 -1.212 -7.445 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.979 -0.775 -7.710 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.510 -2.486 -7.576 1.00 0.00 H new ATOM 258 N ARG A 18 -3.845 2.705 -11.188 1.00 0.00 N ATOM 259 CA ARG A 18 -4.491 3.592 -10.179 1.00 0.00 C ATOM 260 C ARG A 18 -6.004 3.593 -10.389 1.00 0.00 C ATOM 261 O ARG A 18 -6.772 3.486 -9.453 1.00 0.00 O ATOM 262 CB ARG A 18 -3.969 5.021 -10.333 1.00 0.00 C ATOM 263 CG ARG A 18 -2.662 5.013 -11.129 1.00 0.00 C ATOM 264 CD ARG A 18 -1.985 6.379 -11.006 1.00 0.00 C ATOM 265 NE ARG A 18 -2.989 7.454 -11.241 1.00 0.00 N ATOM 266 CZ ARG A 18 -2.632 8.563 -11.828 1.00 0.00 C ATOM 267 NH1 ARG A 18 -1.688 9.300 -11.309 1.00 0.00 N ATOM 268 NH2 ARG A 18 -3.219 8.937 -12.931 1.00 0.00 N ATOM 0 H ARG A 18 -3.257 3.181 -11.872 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.256 3.221 -9.181 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.711 5.636 -10.842 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.805 5.466 -9.351 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.000 4.232 -10.755 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.862 4.787 -12.176 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.543 6.490 -10.016 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.173 6.461 -11.729 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.956 7.323 -10.943 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.230 9.009 -10.445 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.408 10.167 -11.767 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.958 8.362 -13.336 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.939 9.804 -13.389 1.00 0.00 H new ATOM 282 N ARG A 19 -6.440 3.726 -11.611 1.00 0.00 N ATOM 283 CA ARG A 19 -7.903 3.748 -11.880 1.00 0.00 C ATOM 284 C ARG A 19 -8.542 2.451 -11.376 1.00 0.00 C ATOM 285 O ARG A 19 -9.729 2.393 -11.118 1.00 0.00 O ATOM 286 CB ARG A 19 -8.144 3.887 -13.384 1.00 0.00 C ATOM 287 CG ARG A 19 -9.648 3.966 -13.659 1.00 0.00 C ATOM 288 CD ARG A 19 -10.107 2.686 -14.358 1.00 0.00 C ATOM 289 NE ARG A 19 -9.501 2.618 -15.717 1.00 0.00 N ATOM 290 CZ ARG A 19 -10.183 2.120 -16.711 1.00 0.00 C ATOM 291 NH1 ARG A 19 -10.845 1.007 -16.556 1.00 0.00 N ATOM 292 NH2 ARG A 19 -10.204 2.737 -17.861 1.00 0.00 N ATOM 0 H ARG A 19 -5.845 3.820 -12.434 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.352 4.595 -11.360 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.648 4.781 -13.761 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.712 3.037 -13.912 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.193 4.098 -12.724 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.869 4.833 -14.282 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.813 1.814 -13.773 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.194 2.669 -14.432 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.553 2.961 -15.870 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.830 0.525 -15.657 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.378 0.618 -17.334 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.687 3.608 -17.982 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.737 2.348 -18.639 1.00 0.00 H new ATOM 306 N ILE A 20 -7.768 1.411 -11.236 1.00 0.00 N ATOM 307 CA ILE A 20 -8.336 0.122 -10.751 1.00 0.00 C ATOM 308 C ILE A 20 -8.575 0.209 -9.243 1.00 0.00 C ATOM 309 O ILE A 20 -9.665 -0.029 -8.760 1.00 0.00 O ATOM 310 CB ILE A 20 -7.348 -1.016 -11.060 1.00 0.00 C ATOM 311 CG1 ILE A 20 -7.738 -1.675 -12.385 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.372 -2.074 -9.947 1.00 0.00 C ATOM 313 CD1 ILE A 20 -7.738 -0.625 -13.498 1.00 0.00 C ATOM 0 H ILE A 20 -6.768 1.398 -11.436 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.283 -0.077 -11.253 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.343 -0.598 -11.126 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.038 -2.475 -12.625 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.725 -2.130 -12.300 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.666 -2.869 -10.186 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.092 -1.612 -9.000 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.375 -2.492 -9.864 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.016 -1.095 -14.441 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.456 0.159 -13.258 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.742 -0.191 -13.588 1.00 0.00 H new ATOM 325 N VAL A 21 -7.558 0.528 -8.495 1.00 0.00 N ATOM 326 CA VAL A 21 -7.718 0.607 -7.018 1.00 0.00 C ATOM 327 C VAL A 21 -8.612 1.792 -6.644 1.00 0.00 C ATOM 328 O VAL A 21 -9.087 1.891 -5.531 1.00 0.00 O ATOM 329 CB VAL A 21 -6.347 0.761 -6.356 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.159 -0.351 -5.326 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.245 0.651 -7.413 1.00 0.00 C ATOM 0 H VAL A 21 -6.622 0.738 -8.843 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.187 -0.311 -6.665 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.290 1.735 -5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.183 -0.246 -4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.940 -0.282 -4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.219 -1.320 -5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.271 0.761 -6.936 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.303 -0.323 -7.899 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.375 1.436 -8.158 1.00 0.00 H new ATOM 341 N ARG A 22 -8.857 2.685 -7.563 1.00 0.00 N ATOM 342 CA ARG A 22 -9.733 3.849 -7.247 1.00 0.00 C ATOM 343 C ARG A 22 -11.148 3.344 -6.975 1.00 0.00 C ATOM 344 O ARG A 22 -11.740 3.623 -5.951 1.00 0.00 O ATOM 345 CB ARG A 22 -9.765 4.797 -8.444 1.00 0.00 C ATOM 346 CG ARG A 22 -8.937 6.045 -8.135 1.00 0.00 C ATOM 347 CD ARG A 22 -8.740 6.858 -9.417 1.00 0.00 C ATOM 348 NE ARG A 22 -8.973 8.300 -9.131 1.00 0.00 N ATOM 349 CZ ARG A 22 -8.561 9.206 -9.975 1.00 0.00 C ATOM 350 NH1 ARG A 22 -7.287 9.460 -10.089 1.00 0.00 N ATOM 351 NH2 ARG A 22 -9.425 9.856 -10.707 1.00 0.00 N ATOM 0 H ARG A 22 -8.491 2.660 -8.515 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.348 4.374 -6.373 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.370 4.296 -9.328 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.794 5.078 -8.670 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.440 6.651 -7.381 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.970 5.759 -7.721 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.731 6.711 -9.802 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.429 6.513 -10.188 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.454 8.580 -8.276 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.612 8.950 -9.518 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.965 10.168 -10.749 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.421 9.655 -10.619 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.104 10.564 -11.367 1.00 0.00 H new ATOM 365 N ASN A 23 -11.686 2.591 -7.890 1.00 0.00 N ATOM 366 CA ASN A 23 -13.047 2.041 -7.725 1.00 0.00 C ATOM 367 C ASN A 23 -13.044 1.044 -6.577 1.00 0.00 C ATOM 368 O ASN A 23 -13.806 1.147 -5.636 1.00 0.00 O ATOM 369 CB ASN A 23 -13.380 1.297 -9.002 1.00 0.00 C ATOM 370 CG ASN A 23 -14.797 1.644 -9.461 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.031 2.710 -9.996 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.760 0.783 -9.274 1.00 0.00 N ATOM 0 H ASN A 23 -11.225 2.331 -8.762 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.767 2.834 -7.521 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.663 1.558 -9.781 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.296 0.223 -8.838 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.708 1.005 -9.577 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.564 -0.112 -8.825 1.00 0.00 H new ATOM 379 N LEU A 24 -12.184 0.075 -6.675 1.00 0.00 N ATOM 380 CA LEU A 24 -12.086 -0.972 -5.621 1.00 0.00 C ATOM 381 C LEU A 24 -12.187 -0.318 -4.240 1.00 0.00 C ATOM 382 O LEU A 24 -12.961 -0.734 -3.400 1.00 0.00 O ATOM 383 CB LEU A 24 -10.733 -1.671 -5.774 1.00 0.00 C ATOM 384 CG LEU A 24 -10.694 -3.005 -5.002 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.169 -4.108 -5.922 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.759 -2.897 -3.796 1.00 0.00 C ATOM 0 H LEU A 24 -11.534 -0.040 -7.452 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.895 -1.696 -5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.535 -1.855 -6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.941 -1.016 -5.411 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.703 -3.238 -4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.140 -5.052 -5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.827 -4.206 -6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.164 -3.853 -6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.743 -3.847 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.752 -2.655 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.115 -2.112 -3.129 1.00 0.00 H new ATOM 398 N LEU A 25 -11.425 0.717 -4.004 1.00 0.00 N ATOM 399 CA LEU A 25 -11.495 1.408 -2.685 1.00 0.00 C ATOM 400 C LEU A 25 -12.863 2.076 -2.558 1.00 0.00 C ATOM 401 O LEU A 25 -13.490 2.045 -1.519 1.00 0.00 O ATOM 402 CB LEU A 25 -10.397 2.474 -2.605 1.00 0.00 C ATOM 403 CG LEU A 25 -9.095 1.845 -2.097 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.959 2.860 -2.234 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.237 1.448 -0.621 1.00 0.00 C ATOM 0 H LEU A 25 -10.758 1.113 -4.667 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.353 0.688 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.237 2.918 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.707 3.278 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.877 0.955 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.030 2.417 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.845 3.140 -3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.191 3.747 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.305 1.002 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.460 2.333 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.046 0.726 -0.515 1.00 0.00 H new ATOM 417 N LYS A 26 -13.330 2.679 -3.619 1.00 0.00 N ATOM 418 CA LYS A 26 -14.656 3.345 -3.575 1.00 0.00 C ATOM 419 C LYS A 26 -15.717 2.331 -3.150 1.00 0.00 C ATOM 420 O LYS A 26 -16.644 2.652 -2.434 1.00 0.00 O ATOM 421 CB LYS A 26 -14.995 3.896 -4.963 1.00 0.00 C ATOM 422 CG LYS A 26 -16.271 4.739 -4.882 1.00 0.00 C ATOM 423 CD LYS A 26 -16.575 5.356 -6.253 1.00 0.00 C ATOM 424 CE LYS A 26 -17.400 4.375 -7.091 1.00 0.00 C ATOM 425 NZ LYS A 26 -18.851 4.639 -6.880 1.00 0.00 N ATOM 0 H LYS A 26 -12.846 2.737 -4.515 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.631 4.165 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.170 4.502 -5.337 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.133 3.076 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.107 4.119 -4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.151 5.526 -4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -17.121 6.291 -6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.645 5.596 -6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -17.150 4.482 -8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -17.161 3.349 -6.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -19.411 3.973 -7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -19.084 4.516 -5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -19.072 5.613 -7.170 1.00 0.00 H new ATOM 439 N GLU A 27 -15.591 1.108 -3.588 1.00 0.00 N ATOM 440 CA GLU A 27 -16.589 0.078 -3.211 1.00 0.00 C ATOM 441 C GLU A 27 -16.578 -0.110 -1.692 1.00 0.00 C ATOM 442 O GLU A 27 -17.488 -0.680 -1.123 1.00 0.00 O ATOM 443 CB GLU A 27 -16.240 -1.244 -3.896 1.00 0.00 C ATOM 444 CG GLU A 27 -16.982 -1.339 -5.230 1.00 0.00 C ATOM 445 CD GLU A 27 -16.368 -2.453 -6.078 1.00 0.00 C ATOM 446 OE1 GLU A 27 -15.376 -2.190 -6.739 1.00 0.00 O ATOM 447 OE2 GLU A 27 -16.899 -3.551 -6.054 1.00 0.00 O ATOM 0 H GLU A 27 -14.837 0.781 -4.192 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.582 0.398 -3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.164 -1.308 -4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.514 -2.082 -3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.039 -1.540 -5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.921 -0.389 -5.760 1.00 0.00 H new ATOM 454 N LEU A 28 -15.550 0.361 -1.037 1.00 0.00 N ATOM 455 CA LEU A 28 -15.464 0.211 0.446 1.00 0.00 C ATOM 456 C LEU A 28 -15.836 1.533 1.125 1.00 0.00 C ATOM 457 O LEU A 28 -15.747 1.668 2.329 1.00 0.00 O ATOM 458 CB LEU A 28 -14.033 -0.167 0.832 1.00 0.00 C ATOM 459 CG LEU A 28 -13.950 -1.671 1.103 1.00 0.00 C ATOM 460 CD1 LEU A 28 -12.489 -2.121 1.038 1.00 0.00 C ATOM 461 CD2 LEU A 28 -14.509 -1.971 2.496 1.00 0.00 C ATOM 0 H LEU A 28 -14.762 0.846 -1.467 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.155 -0.568 0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.346 0.106 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.726 0.389 1.718 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.532 -2.206 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.429 -3.192 1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.086 -1.908 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.909 -1.584 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.450 -3.042 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.926 -1.435 3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.549 -1.650 2.547 1.00 0.00 H new ATOM 473 N GLY A 29 -16.260 2.508 0.366 1.00 0.00 N ATOM 474 CA GLY A 29 -16.642 3.807 0.973 1.00 0.00 C ATOM 475 C GLY A 29 -15.393 4.641 1.279 1.00 0.00 C ATOM 476 O GLY A 29 -15.257 5.186 2.357 1.00 0.00 O ATOM 0 H GLY A 29 -16.357 2.457 -0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.296 4.355 0.294 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.206 3.635 1.890 1.00 0.00 H new ATOM 480 N PHE A 30 -14.489 4.751 0.335 1.00 0.00 N ATOM 481 CA PHE A 30 -13.251 5.562 0.559 1.00 0.00 C ATOM 482 C PHE A 30 -13.104 6.579 -0.577 1.00 0.00 C ATOM 483 O PHE A 30 -13.054 6.218 -1.737 1.00 0.00 O ATOM 484 CB PHE A 30 -12.018 4.650 0.579 1.00 0.00 C ATOM 485 CG PHE A 30 -11.923 3.931 1.900 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.716 4.657 3.076 1.00 0.00 C ATOM 487 CD2 PHE A 30 -12.025 2.532 1.946 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.610 3.988 4.299 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.922 1.866 3.174 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.714 2.594 4.349 1.00 0.00 C ATOM 0 H PHE A 30 -14.556 4.313 -0.584 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.330 6.077 1.516 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.079 3.926 -0.234 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.117 5.241 0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.638 5.734 3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.182 1.970 1.037 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.447 4.549 5.207 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.003 0.790 3.213 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.634 2.080 5.296 1.00 0.00 H new ATOM 500 N ASN A 31 -13.046 7.848 -0.253 1.00 0.00 N ATOM 501 CA ASN A 31 -12.914 8.893 -1.304 1.00 0.00 C ATOM 502 C ASN A 31 -11.830 9.903 -0.898 1.00 0.00 C ATOM 503 O ASN A 31 -12.098 11.067 -0.677 1.00 0.00 O ATOM 504 CB ASN A 31 -14.260 9.604 -1.448 1.00 0.00 C ATOM 505 CG ASN A 31 -15.008 9.556 -0.114 1.00 0.00 C ATOM 506 OD1 ASN A 31 -16.101 9.032 -0.036 1.00 0.00 O ATOM 507 ND2 ASN A 31 -14.461 10.083 0.947 1.00 0.00 N ATOM 0 H ASN A 31 -13.085 8.202 0.703 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.629 8.438 -2.253 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.106 10.639 -1.754 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.854 9.127 -2.227 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.951 10.055 1.841 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -13.543 10.523 0.882 1.00 0.00 H new ATOM 514 N ASN A 32 -10.602 9.466 -0.803 1.00 0.00 N ATOM 515 CA ASN A 32 -9.505 10.403 -0.417 1.00 0.00 C ATOM 516 C ASN A 32 -8.156 9.698 -0.566 1.00 0.00 C ATOM 517 O ASN A 32 -7.668 9.071 0.356 1.00 0.00 O ATOM 518 CB ASN A 32 -9.685 10.839 1.038 1.00 0.00 C ATOM 519 CG ASN A 32 -8.823 12.074 1.310 1.00 0.00 C ATOM 520 OD1 ASN A 32 -8.468 12.794 0.397 1.00 0.00 O ATOM 521 ND2 ASN A 32 -8.468 12.351 2.534 1.00 0.00 N ATOM 0 H ASN A 32 -10.311 8.504 -0.975 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.537 11.278 -1.066 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.733 11.063 1.235 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.401 10.029 1.710 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.893 13.171 2.725 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.766 11.747 3.300 1.00 0.00 H new ATOM 528 N VAL A 33 -7.547 9.790 -1.718 1.00 0.00 N ATOM 529 CA VAL A 33 -6.230 9.119 -1.920 1.00 0.00 C ATOM 530 C VAL A 33 -5.345 9.977 -2.822 1.00 0.00 C ATOM 531 O VAL A 33 -5.742 11.030 -3.280 1.00 0.00 O ATOM 532 CB VAL A 33 -6.443 7.743 -2.572 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.806 7.183 -2.165 1.00 0.00 C ATOM 534 CG2 VAL A 33 -6.393 7.868 -4.100 1.00 0.00 C ATOM 0 H VAL A 33 -7.904 10.300 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.744 8.991 -0.953 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.652 7.073 -2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.952 6.208 -2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.847 7.078 -1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.592 7.863 -2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.545 6.887 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.177 8.547 -4.435 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.421 8.259 -4.401 1.00 0.00 H new ATOM 544 N GLU A 34 -4.153 9.516 -3.094 1.00 0.00 N ATOM 545 CA GLU A 34 -3.233 10.277 -3.986 1.00 0.00 C ATOM 546 C GLU A 34 -2.552 9.293 -4.933 1.00 0.00 C ATOM 547 O GLU A 34 -2.936 8.144 -5.022 1.00 0.00 O ATOM 548 CB GLU A 34 -2.188 11.016 -3.144 1.00 0.00 C ATOM 549 CG GLU A 34 -2.595 12.487 -2.964 1.00 0.00 C ATOM 550 CD GLU A 34 -1.435 13.268 -2.346 1.00 0.00 C ATOM 551 OE1 GLU A 34 -0.331 12.751 -2.348 1.00 0.00 O ATOM 552 OE2 GLU A 34 -1.671 14.372 -1.883 1.00 0.00 O ATOM 0 H GLU A 34 -3.776 8.639 -2.734 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.792 11.013 -4.563 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.090 10.536 -2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.213 10.957 -3.628 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.866 12.920 -3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.475 12.556 -2.324 1.00 0.00 H new ATOM 559 N GLU A 35 -1.553 9.729 -5.649 1.00 0.00 N ATOM 560 CA GLU A 35 -0.871 8.809 -6.603 1.00 0.00 C ATOM 561 C GLU A 35 0.619 9.141 -6.691 1.00 0.00 C ATOM 562 O GLU A 35 1.014 10.289 -6.642 1.00 0.00 O ATOM 563 CB GLU A 35 -1.493 8.961 -7.997 1.00 0.00 C ATOM 564 CG GLU A 35 -2.961 8.522 -7.972 1.00 0.00 C ATOM 565 CD GLU A 35 -3.832 9.675 -7.472 1.00 0.00 C ATOM 566 OE1 GLU A 35 -3.704 10.764 -8.008 1.00 0.00 O ATOM 567 OE2 GLU A 35 -4.612 9.452 -6.560 1.00 0.00 O ATOM 0 H GLU A 35 -1.180 10.678 -5.616 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.993 7.787 -6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.422 9.998 -8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.938 8.361 -8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.278 8.220 -8.970 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.081 7.654 -7.323 1.00 0.00 H new ATOM 574 N ALA A 36 1.443 8.136 -6.840 1.00 0.00 N ATOM 575 CA ALA A 36 2.912 8.371 -6.955 1.00 0.00 C ATOM 576 C ALA A 36 3.464 7.471 -8.063 1.00 0.00 C ATOM 577 O ALA A 36 2.713 6.864 -8.801 1.00 0.00 O ATOM 578 CB ALA A 36 3.594 8.045 -5.626 1.00 0.00 C ATOM 0 H ALA A 36 1.159 7.158 -6.887 1.00 0.00 H new ATOM 0 HA ALA A 36 3.106 9.416 -7.197 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.666 8.218 -5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.187 8.684 -4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.415 7.000 -5.372 1.00 0.00 H new ATOM 584 N GLU A 37 4.762 7.389 -8.198 1.00 0.00 N ATOM 585 CA GLU A 37 5.341 6.533 -9.277 1.00 0.00 C ATOM 586 C GLU A 37 6.601 5.818 -8.780 1.00 0.00 C ATOM 587 O GLU A 37 7.317 5.215 -9.554 1.00 0.00 O ATOM 588 CB GLU A 37 5.699 7.408 -10.479 1.00 0.00 C ATOM 589 CG GLU A 37 6.546 8.596 -10.015 1.00 0.00 C ATOM 590 CD GLU A 37 7.063 9.362 -11.235 1.00 0.00 C ATOM 591 OE1 GLU A 37 6.308 10.153 -11.776 1.00 0.00 O ATOM 592 OE2 GLU A 37 8.205 9.146 -11.605 1.00 0.00 O ATOM 0 H GLU A 37 5.442 7.874 -7.613 1.00 0.00 H new ATOM 0 HA GLU A 37 4.603 5.785 -9.565 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.248 6.823 -11.217 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.791 7.764 -10.966 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.951 9.256 -9.383 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.383 8.246 -9.411 1.00 0.00 H new ATOM 599 N ASP A 38 6.879 5.863 -7.505 1.00 0.00 N ATOM 600 CA ASP A 38 8.095 5.166 -6.996 1.00 0.00 C ATOM 601 C ASP A 38 8.332 5.544 -5.535 1.00 0.00 C ATOM 602 O ASP A 38 7.853 6.550 -5.058 1.00 0.00 O ATOM 603 CB ASP A 38 9.314 5.562 -7.837 1.00 0.00 C ATOM 604 CG ASP A 38 10.566 5.553 -6.959 1.00 0.00 C ATOM 605 OD1 ASP A 38 10.873 4.509 -6.410 1.00 0.00 O ATOM 606 OD2 ASP A 38 11.196 6.590 -6.854 1.00 0.00 O ATOM 0 H ASP A 38 6.323 6.347 -6.800 1.00 0.00 H new ATOM 0 HA ASP A 38 7.946 4.089 -7.070 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.436 4.868 -8.669 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.166 6.553 -8.267 1.00 0.00 H new ATOM 611 N GLY A 39 9.063 4.735 -4.819 1.00 0.00 N ATOM 612 CA GLY A 39 9.326 5.033 -3.385 1.00 0.00 C ATOM 613 C GLY A 39 9.731 6.500 -3.216 1.00 0.00 C ATOM 614 O GLY A 39 9.273 7.180 -2.319 1.00 0.00 O ATOM 0 H GLY A 39 9.491 3.877 -5.168 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.435 4.824 -2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.118 4.384 -3.010 1.00 0.00 H new ATOM 618 N VAL A 40 10.591 6.996 -4.064 1.00 0.00 N ATOM 619 CA VAL A 40 11.026 8.417 -3.937 1.00 0.00 C ATOM 620 C VAL A 40 9.827 9.342 -4.142 1.00 0.00 C ATOM 621 O VAL A 40 9.698 10.360 -3.490 1.00 0.00 O ATOM 622 CB VAL A 40 12.097 8.726 -4.987 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.694 10.107 -4.715 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.205 7.672 -4.914 1.00 0.00 C ATOM 0 H VAL A 40 11.010 6.480 -4.838 1.00 0.00 H new ATOM 0 HA VAL A 40 11.440 8.577 -2.942 1.00 0.00 H new ATOM 0 HB VAL A 40 11.645 8.712 -5.979 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.456 10.327 -5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.907 10.860 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.144 10.120 -3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.967 7.893 -5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.656 7.686 -3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.782 6.686 -5.107 1.00 0.00 H new ATOM 634 N ASP A 41 8.942 8.996 -5.034 1.00 0.00 N ATOM 635 CA ASP A 41 7.753 9.855 -5.267 1.00 0.00 C ATOM 636 C ASP A 41 6.817 9.732 -4.068 1.00 0.00 C ATOM 637 O ASP A 41 6.316 10.709 -3.548 1.00 0.00 O ATOM 638 CB ASP A 41 7.034 9.379 -6.526 1.00 0.00 C ATOM 639 CG ASP A 41 6.148 10.502 -7.065 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.113 10.750 -6.470 1.00 0.00 O ATOM 641 OD2 ASP A 41 6.520 11.098 -8.062 1.00 0.00 O ATOM 0 H ASP A 41 8.992 8.156 -5.610 1.00 0.00 H new ATOM 0 HA ASP A 41 8.057 10.894 -5.393 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.761 9.081 -7.282 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.429 8.500 -6.302 1.00 0.00 H new ATOM 646 N ALA A 42 6.585 8.529 -3.629 1.00 0.00 N ATOM 647 CA ALA A 42 5.691 8.313 -2.462 1.00 0.00 C ATOM 648 C ALA A 42 6.215 9.104 -1.263 1.00 0.00 C ATOM 649 O ALA A 42 5.555 9.989 -0.760 1.00 0.00 O ATOM 650 CB ALA A 42 5.674 6.825 -2.111 1.00 0.00 C ATOM 0 H ALA A 42 6.980 7.679 -4.032 1.00 0.00 H new ATOM 0 HA ALA A 42 4.684 8.648 -2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.019 6.661 -1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.307 6.254 -2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.684 6.498 -1.864 1.00 0.00 H new ATOM 656 N LEU A 43 7.396 8.787 -0.804 1.00 0.00 N ATOM 657 CA LEU A 43 7.971 9.514 0.367 1.00 0.00 C ATOM 658 C LEU A 43 7.749 11.019 0.205 1.00 0.00 C ATOM 659 O LEU A 43 7.301 11.691 1.114 1.00 0.00 O ATOM 660 CB LEU A 43 9.471 9.230 0.456 1.00 0.00 C ATOM 661 CG LEU A 43 10.082 10.058 1.590 1.00 0.00 C ATOM 662 CD1 LEU A 43 11.010 9.175 2.423 1.00 0.00 C ATOM 663 CD2 LEU A 43 10.881 11.220 0.996 1.00 0.00 C ATOM 0 H LEU A 43 7.990 8.053 -1.190 1.00 0.00 H new ATOM 0 HA LEU A 43 7.478 9.173 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.641 8.168 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.955 9.476 -0.489 1.00 0.00 H new ATOM 0 HG LEU A 43 9.287 10.449 2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.445 9.764 3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.442 8.346 2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.806 8.784 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.317 11.811 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.676 10.828 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.220 11.850 0.401 1.00 0.00 H new ATOM 675 N ASN A 44 8.061 11.555 -0.941 1.00 0.00 N ATOM 676 CA ASN A 44 7.872 13.016 -1.154 1.00 0.00 C ATOM 677 C ASN A 44 6.381 13.358 -1.101 1.00 0.00 C ATOM 678 O ASN A 44 5.987 14.389 -0.596 1.00 0.00 O ATOM 679 CB ASN A 44 8.434 13.409 -2.523 1.00 0.00 C ATOM 680 CG ASN A 44 9.957 13.521 -2.439 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.645 12.536 -1.927 1.00 0.00 O flip ATOM 682 ND2 ASN A 44 10.528 14.513 -2.845 1.00 0.00 N flip ATOM 0 H ASN A 44 8.439 11.045 -1.739 1.00 0.00 H new ATOM 0 HA ASN A 44 8.397 13.564 -0.371 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.154 12.665 -3.269 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.006 14.359 -2.844 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.991 15.283 -3.245 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.544 14.577 -2.786 1.00 0.00 H new ATOM 689 N LYS A 45 5.551 12.505 -1.631 1.00 0.00 N ATOM 690 CA LYS A 45 4.086 12.786 -1.624 1.00 0.00 C ATOM 691 C LYS A 45 3.438 12.215 -0.356 1.00 0.00 C ATOM 692 O LYS A 45 2.255 12.385 -0.134 1.00 0.00 O ATOM 693 CB LYS A 45 3.444 12.145 -2.860 1.00 0.00 C ATOM 694 CG LYS A 45 2.363 13.071 -3.434 1.00 0.00 C ATOM 695 CD LYS A 45 3.009 14.103 -4.365 1.00 0.00 C ATOM 696 CE LYS A 45 1.923 15.002 -4.963 1.00 0.00 C ATOM 697 NZ LYS A 45 2.505 15.814 -6.070 1.00 0.00 N ATOM 0 H LYS A 45 5.822 11.625 -2.069 1.00 0.00 H new ATOM 0 HA LYS A 45 3.931 13.865 -1.641 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.206 11.951 -3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.006 11.183 -2.594 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.623 12.487 -3.981 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.836 13.576 -2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.731 14.705 -3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.557 13.598 -5.161 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.099 14.395 -5.337 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.513 15.657 -4.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.768 16.425 -6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.278 16.403 -5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.876 15.181 -6.807 1.00 0.00 H new ATOM 711 N LEU A 46 4.186 11.541 0.476 1.00 0.00 N ATOM 712 CA LEU A 46 3.575 10.973 1.715 1.00 0.00 C ATOM 713 C LEU A 46 3.529 12.059 2.791 1.00 0.00 C ATOM 714 O LEU A 46 2.649 12.079 3.630 1.00 0.00 O ATOM 715 CB LEU A 46 4.417 9.786 2.228 1.00 0.00 C ATOM 716 CG LEU A 46 3.567 8.506 2.407 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.914 7.490 1.327 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.868 7.886 3.769 1.00 0.00 C ATOM 0 H LEU A 46 5.182 11.360 0.355 1.00 0.00 H new ATOM 0 HA LEU A 46 2.567 10.623 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.228 9.587 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.876 10.052 3.180 1.00 0.00 H new ATOM 0 HG LEU A 46 2.512 8.772 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.309 6.593 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.711 7.919 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.970 7.230 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.270 6.984 3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.926 7.632 3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.623 8.599 4.556 1.00 0.00 H new ATOM 730 N GLN A 47 4.467 12.963 2.773 1.00 0.00 N ATOM 731 CA GLN A 47 4.478 14.049 3.791 1.00 0.00 C ATOM 732 C GLN A 47 3.211 14.889 3.641 1.00 0.00 C ATOM 733 O GLN A 47 2.995 15.839 4.366 1.00 0.00 O ATOM 734 CB GLN A 47 5.705 14.939 3.573 1.00 0.00 C ATOM 735 CG GLN A 47 6.907 14.346 4.310 1.00 0.00 C ATOM 736 CD GLN A 47 8.127 15.249 4.110 1.00 0.00 C ATOM 737 OE1 GLN A 47 7.954 16.532 3.943 1.00 0.00 O flip ATOM 738 NE2 GLN A 47 9.247 14.782 4.107 1.00 0.00 N flip ATOM 0 H GLN A 47 5.229 12.997 2.095 1.00 0.00 H new ATOM 0 HA GLN A 47 4.516 13.615 4.790 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.923 15.021 2.508 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.505 15.947 3.936 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.684 14.249 5.372 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.118 13.344 3.936 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.382 13.779 4.238 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.054 15.392 3.974 1.00 0.00 H new ATOM 747 N ALA A 48 2.376 14.546 2.698 1.00 0.00 N ATOM 748 CA ALA A 48 1.124 15.321 2.490 1.00 0.00 C ATOM 749 C ALA A 48 0.451 15.587 3.838 1.00 0.00 C ATOM 750 O ALA A 48 0.277 16.721 4.237 1.00 0.00 O ATOM 751 CB ALA A 48 0.175 14.529 1.589 1.00 0.00 C ATOM 0 H ALA A 48 2.509 13.760 2.062 1.00 0.00 H new ATOM 0 HA ALA A 48 1.364 16.272 2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.742 15.098 1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.653 14.348 0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.063 13.576 2.060 1.00 0.00 H new ATOM 757 N GLY A 49 0.072 14.557 4.548 1.00 0.00 N ATOM 758 CA GLY A 49 -0.587 14.779 5.867 1.00 0.00 C ATOM 759 C GLY A 49 -0.631 13.472 6.663 1.00 0.00 C ATOM 760 O GLY A 49 -1.438 13.310 7.556 1.00 0.00 O ATOM 0 H GLY A 49 0.189 13.581 4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.044 15.538 6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.599 15.156 5.717 1.00 0.00 H new ATOM 764 N GLY A 50 0.223 12.537 6.350 1.00 0.00 N ATOM 765 CA GLY A 50 0.210 11.246 7.096 1.00 0.00 C ATOM 766 C GLY A 50 -0.755 10.291 6.403 1.00 0.00 C ATOM 767 O GLY A 50 -1.955 10.468 6.446 1.00 0.00 O ATOM 0 H GLY A 50 0.926 12.609 5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.211 10.816 7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.097 11.410 8.129 1.00 0.00 H new ATOM 771 N TYR A 51 -0.241 9.291 5.745 1.00 0.00 N ATOM 772 CA TYR A 51 -1.130 8.343 5.028 1.00 0.00 C ATOM 773 C TYR A 51 -1.478 7.158 5.914 1.00 0.00 C ATOM 774 O TYR A 51 -0.701 6.242 6.081 1.00 0.00 O ATOM 775 CB TYR A 51 -0.422 7.851 3.776 1.00 0.00 C ATOM 776 CG TYR A 51 -0.671 8.846 2.683 1.00 0.00 C ATOM 777 CD1 TYR A 51 0.142 9.974 2.576 1.00 0.00 C ATOM 778 CD2 TYR A 51 -1.729 8.653 1.793 1.00 0.00 C ATOM 779 CE1 TYR A 51 -0.097 10.911 1.571 1.00 0.00 C ATOM 780 CE2 TYR A 51 -1.974 9.592 0.788 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.154 10.723 0.677 1.00 0.00 C ATOM 782 OH TYR A 51 -1.391 11.659 -0.302 1.00 0.00 O ATOM 0 H TYR A 51 0.757 9.091 5.674 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.053 8.856 4.760 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.647 7.746 3.959 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.795 6.868 3.489 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.956 10.122 3.271 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.357 7.779 1.881 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.535 11.782 1.484 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.793 9.447 0.099 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.641 11.670 -0.932 1.00 0.00 H new ATOM 792 N GLY A 52 -2.651 7.160 6.469 1.00 0.00 N ATOM 793 CA GLY A 52 -3.054 6.023 7.326 1.00 0.00 C ATOM 794 C GLY A 52 -2.955 4.735 6.514 1.00 0.00 C ATOM 795 O GLY A 52 -3.066 3.650 7.045 1.00 0.00 O ATOM 0 H GLY A 52 -3.347 7.899 6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.411 5.966 8.204 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.073 6.165 7.686 1.00 0.00 H new ATOM 799 N PHE A 53 -2.761 4.839 5.224 1.00 0.00 N ATOM 800 CA PHE A 53 -2.676 3.603 4.406 1.00 0.00 C ATOM 801 C PHE A 53 -1.910 3.856 3.103 1.00 0.00 C ATOM 802 O PHE A 53 -2.056 4.887 2.474 1.00 0.00 O ATOM 803 CB PHE A 53 -4.088 3.159 4.076 1.00 0.00 C ATOM 804 CG PHE A 53 -4.230 1.675 4.270 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.619 1.166 5.511 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.014 0.811 3.199 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.785 -0.207 5.680 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.185 -0.561 3.360 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.572 -1.077 4.602 1.00 0.00 C ATOM 0 H PHE A 53 -2.660 5.715 4.712 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.144 2.836 4.969 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.799 3.685 4.713 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.327 3.422 3.046 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.791 1.837 6.340 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.713 1.207 2.240 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.078 -0.601 6.642 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.019 -1.227 2.526 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.706 -2.141 4.729 1.00 0.00 H new ATOM 819 N VAL A 54 -1.104 2.910 2.686 1.00 0.00 N ATOM 820 CA VAL A 54 -0.339 3.089 1.411 1.00 0.00 C ATOM 821 C VAL A 54 -0.427 1.822 0.560 1.00 0.00 C ATOM 822 O VAL A 54 0.232 0.837 0.829 1.00 0.00 O ATOM 823 CB VAL A 54 1.137 3.356 1.709 1.00 0.00 C ATOM 824 CG1 VAL A 54 1.855 3.772 0.423 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.275 4.472 2.749 1.00 0.00 C ATOM 0 H VAL A 54 -0.943 2.026 3.170 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.772 3.934 0.876 1.00 0.00 H new ATOM 0 HB VAL A 54 1.585 2.444 2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.907 3.962 0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.774 2.973 -0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.397 4.678 0.027 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.331 4.652 2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.818 5.385 2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.774 4.175 3.670 1.00 0.00 H new ATOM 835 N ILE A 55 -1.204 1.849 -0.487 1.00 0.00 N ATOM 836 CA ILE A 55 -1.292 0.658 -1.376 1.00 0.00 C ATOM 837 C ILE A 55 -0.211 0.812 -2.455 1.00 0.00 C ATOM 838 O ILE A 55 -0.492 1.048 -3.619 1.00 0.00 O ATOM 839 CB ILE A 55 -2.678 0.589 -2.027 1.00 0.00 C ATOM 840 CG1 ILE A 55 -3.720 1.151 -1.060 1.00 0.00 C ATOM 841 CG2 ILE A 55 -3.012 -0.869 -2.345 1.00 0.00 C ATOM 842 CD1 ILE A 55 -5.103 0.594 -1.410 1.00 0.00 C ATOM 0 H ILE A 55 -1.781 2.643 -0.765 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.141 -0.259 -0.807 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.682 1.174 -2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.459 0.886 -0.035 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.731 2.240 -1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.997 -0.924 -2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.266 -1.272 -3.030 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.011 -1.452 -1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.843 0.997 -0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.364 0.881 -2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.088 -0.493 -1.332 1.00 0.00 H new ATOM 854 N SER A 56 1.030 0.707 -2.066 1.00 0.00 N ATOM 855 CA SER A 56 2.138 0.860 -3.048 1.00 0.00 C ATOM 856 C SER A 56 2.662 -0.518 -3.429 1.00 0.00 C ATOM 857 O SER A 56 2.629 -1.440 -2.638 1.00 0.00 O ATOM 858 CB SER A 56 3.267 1.683 -2.425 1.00 0.00 C ATOM 859 OG SER A 56 4.392 1.675 -3.295 1.00 0.00 O ATOM 0 H SER A 56 1.324 0.521 -1.107 1.00 0.00 H new ATOM 0 HA SER A 56 1.770 1.372 -3.937 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.934 2.706 -2.253 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.541 1.269 -1.454 1.00 0.00 H new ATOM 0 HG SER A 56 5.116 2.203 -2.898 1.00 0.00 H new ATOM 865 N ASP A 57 3.133 -0.663 -4.640 1.00 0.00 N ATOM 866 CA ASP A 57 3.651 -1.983 -5.091 1.00 0.00 C ATOM 867 C ASP A 57 5.161 -1.901 -5.322 1.00 0.00 C ATOM 868 O ASP A 57 5.749 -0.838 -5.311 1.00 0.00 O ATOM 869 CB ASP A 57 2.961 -2.374 -6.400 1.00 0.00 C ATOM 870 CG ASP A 57 3.257 -1.317 -7.465 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.424 -1.045 -7.695 1.00 0.00 O ATOM 872 OD2 ASP A 57 2.311 -0.797 -8.033 1.00 0.00 O ATOM 0 H ASP A 57 3.180 0.080 -5.337 1.00 0.00 H new ATOM 0 HA ASP A 57 3.446 -2.730 -4.324 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.314 -3.350 -6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.885 -2.460 -6.246 1.00 0.00 H new ATOM 877 N TRP A 58 5.786 -3.025 -5.541 1.00 0.00 N ATOM 878 CA TRP A 58 7.257 -3.044 -5.787 1.00 0.00 C ATOM 879 C TRP A 58 7.617 -1.956 -6.801 1.00 0.00 C ATOM 880 O TRP A 58 6.755 -1.336 -7.391 1.00 0.00 O ATOM 881 CB TRP A 58 7.631 -4.411 -6.364 1.00 0.00 C ATOM 882 CG TRP A 58 8.908 -4.900 -5.761 1.00 0.00 C ATOM 883 CD1 TRP A 58 10.143 -4.684 -6.270 1.00 0.00 C ATOM 884 CD2 TRP A 58 9.094 -5.698 -4.558 1.00 0.00 C ATOM 885 NE1 TRP A 58 11.075 -5.300 -5.456 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.478 -5.937 -4.386 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.206 -6.231 -3.608 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.962 -6.682 -3.311 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.691 -6.978 -2.524 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.065 -7.203 -2.377 1.00 0.00 C ATOM 0 H TRP A 58 5.336 -3.940 -5.560 1.00 0.00 H new ATOM 0 HA TRP A 58 7.796 -2.864 -4.857 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.832 -5.126 -6.169 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.737 -4.339 -7.446 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.364 -4.122 -7.166 1.00 0.00 H new ATOM 0 HE1 TRP A 58 12.081 -5.286 -5.625 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.144 -6.065 -3.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.023 -6.854 -3.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.000 -7.382 -1.799 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.431 -7.780 -1.541 1.00 0.00 H new ATOM 901 N ASN A 59 8.886 -1.730 -7.017 1.00 0.00 N ATOM 902 CA ASN A 59 9.299 -0.690 -8.002 1.00 0.00 C ATOM 903 C ASN A 59 10.575 -1.139 -8.717 1.00 0.00 C ATOM 904 O ASN A 59 11.577 -1.440 -8.099 1.00 0.00 O ATOM 905 CB ASN A 59 9.549 0.636 -7.283 1.00 0.00 C ATOM 906 CG ASN A 59 8.537 1.672 -7.771 1.00 0.00 C ATOM 907 OD1 ASN A 59 8.851 2.500 -8.603 1.00 0.00 O ATOM 908 ND2 ASN A 59 7.326 1.662 -7.286 1.00 0.00 N ATOM 0 H ASN A 59 9.652 -2.220 -6.555 1.00 0.00 H new ATOM 0 HA ASN A 59 8.504 -0.553 -8.735 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.458 0.501 -6.205 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.564 0.983 -7.477 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.643 2.349 -7.605 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.062 0.967 -6.588 1.00 0.00 H new ATOM 915 N MET A 60 10.539 -1.187 -10.020 1.00 0.00 N ATOM 916 CA MET A 60 11.734 -1.616 -10.794 1.00 0.00 C ATOM 917 C MET A 60 12.786 -0.490 -10.898 1.00 0.00 C ATOM 918 O MET A 60 13.965 -0.773 -10.831 1.00 0.00 O ATOM 919 CB MET A 60 11.298 -2.042 -12.198 1.00 0.00 C ATOM 920 CG MET A 60 11.338 -3.567 -12.302 1.00 0.00 C ATOM 921 SD MET A 60 10.334 -4.287 -10.977 1.00 0.00 S ATOM 922 CE MET A 60 9.431 -5.479 -11.996 1.00 0.00 C ATOM 0 H MET A 60 9.725 -0.945 -10.585 1.00 0.00 H new ATOM 0 HA MET A 60 12.195 -2.453 -10.269 1.00 0.00 H new ATOM 0 HB2 MET A 60 10.291 -1.679 -12.404 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.956 -1.598 -12.945 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.961 -3.886 -13.274 1.00 0.00 H new ATOM 0 HG3 MET A 60 12.366 -3.921 -12.227 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.741 -6.044 -11.370 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.871 -4.949 -12.766 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.137 -6.163 -12.467 1.00 0.00 H new ATOM 932 N PRO A 61 12.365 0.751 -11.080 1.00 0.00 N ATOM 933 CA PRO A 61 13.322 1.866 -11.212 1.00 0.00 C ATOM 934 C PRO A 61 14.110 2.062 -9.913 1.00 0.00 C ATOM 935 O PRO A 61 13.545 2.234 -8.852 1.00 0.00 O ATOM 936 CB PRO A 61 12.459 3.098 -11.519 1.00 0.00 C ATOM 937 CG PRO A 61 10.983 2.636 -11.567 1.00 0.00 C ATOM 938 CD PRO A 61 10.945 1.154 -11.168 1.00 0.00 C ATOM 0 HA PRO A 61 14.060 1.681 -11.993 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.596 3.862 -10.754 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.752 3.543 -12.470 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.374 3.231 -10.887 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.571 2.774 -12.567 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.434 1.014 -10.215 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.410 0.559 -11.908 1.00 0.00 H new ATOM 946 N ASN A 62 15.415 2.038 -10.002 1.00 0.00 N ATOM 947 CA ASN A 62 16.266 2.226 -8.790 1.00 0.00 C ATOM 948 C ASN A 62 15.693 1.432 -7.614 1.00 0.00 C ATOM 949 O ASN A 62 15.001 0.448 -7.792 1.00 0.00 O ATOM 950 CB ASN A 62 16.318 3.712 -8.427 1.00 0.00 C ATOM 951 CG ASN A 62 14.990 4.134 -7.795 1.00 0.00 C ATOM 952 OD1 ASN A 62 14.781 3.949 -6.613 1.00 0.00 O ATOM 953 ND2 ASN A 62 14.077 4.695 -8.540 1.00 0.00 N ATOM 0 H ASN A 62 15.931 1.895 -10.870 1.00 0.00 H new ATOM 0 HA ASN A 62 17.272 1.866 -9.004 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.138 3.899 -7.733 1.00 0.00 H new ATOM 0 HB3 ASN A 62 16.513 4.308 -9.319 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.187 4.978 -8.130 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.253 4.850 -9.533 1.00 0.00 H new ATOM 960 N MET A 63 15.984 1.850 -6.413 1.00 0.00 N ATOM 961 CA MET A 63 15.467 1.124 -5.220 1.00 0.00 C ATOM 962 C MET A 63 13.975 0.833 -5.398 1.00 0.00 C ATOM 963 O MET A 63 13.282 1.516 -6.126 1.00 0.00 O ATOM 964 CB MET A 63 15.674 1.986 -3.973 1.00 0.00 C ATOM 965 CG MET A 63 16.855 1.443 -3.164 1.00 0.00 C ATOM 966 SD MET A 63 18.303 1.281 -4.238 1.00 0.00 S ATOM 967 CE MET A 63 19.473 0.763 -2.959 1.00 0.00 C ATOM 0 H MET A 63 16.560 2.666 -6.206 1.00 0.00 H new ATOM 0 HA MET A 63 16.005 0.183 -5.108 1.00 0.00 H new ATOM 0 HB2 MET A 63 15.862 3.020 -4.261 1.00 0.00 H new ATOM 0 HB3 MET A 63 14.771 1.984 -3.363 1.00 0.00 H new ATOM 0 HG2 MET A 63 17.079 2.113 -2.334 1.00 0.00 H new ATOM 0 HG3 MET A 63 16.599 0.475 -2.733 1.00 0.00 H new ATOM 0 HE1 MET A 63 20.454 0.603 -3.407 1.00 0.00 H new ATOM 0 HE2 MET A 63 19.545 1.538 -2.196 1.00 0.00 H new ATOM 0 HE3 MET A 63 19.126 -0.164 -2.503 1.00 0.00 H new ATOM 977 N ASP A 64 13.479 -0.178 -4.734 1.00 0.00 N ATOM 978 CA ASP A 64 12.031 -0.521 -4.857 1.00 0.00 C ATOM 979 C ASP A 64 11.256 0.088 -3.685 1.00 0.00 C ATOM 980 O ASP A 64 11.741 0.967 -3.000 1.00 0.00 O ATOM 981 CB ASP A 64 11.856 -2.043 -4.858 1.00 0.00 C ATOM 982 CG ASP A 64 12.706 -2.667 -3.749 1.00 0.00 C ATOM 983 OD1 ASP A 64 13.396 -1.926 -3.069 1.00 0.00 O ATOM 984 OD2 ASP A 64 12.653 -3.876 -3.598 1.00 0.00 O ATOM 0 H ASP A 64 14.015 -0.782 -4.111 1.00 0.00 H new ATOM 0 HA ASP A 64 11.645 -0.117 -5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.806 -2.297 -4.710 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.149 -2.451 -5.825 1.00 0.00 H new ATOM 989 N GLY A 65 10.052 -0.364 -3.451 1.00 0.00 N ATOM 990 CA GLY A 65 9.249 0.201 -2.328 1.00 0.00 C ATOM 991 C GLY A 65 9.763 -0.341 -0.991 1.00 0.00 C ATOM 992 O GLY A 65 9.222 -0.045 0.055 1.00 0.00 O ATOM 0 H GLY A 65 9.591 -1.099 -3.988 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.312 1.289 -2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.198 -0.059 -2.455 1.00 0.00 H new ATOM 996 N LEU A 66 10.801 -1.131 -1.010 1.00 0.00 N ATOM 997 CA LEU A 66 11.335 -1.680 0.271 1.00 0.00 C ATOM 998 C LEU A 66 11.988 -0.549 1.066 1.00 0.00 C ATOM 999 O LEU A 66 11.628 -0.288 2.201 1.00 0.00 O ATOM 1000 CB LEU A 66 12.370 -2.770 -0.031 1.00 0.00 C ATOM 1001 CG LEU A 66 11.859 -4.131 0.454 1.00 0.00 C ATOM 1002 CD1 LEU A 66 11.712 -4.125 1.979 1.00 0.00 C ATOM 1003 CD2 LEU A 66 10.498 -4.427 -0.187 1.00 0.00 C ATOM 0 H LEU A 66 11.301 -1.420 -1.851 1.00 0.00 H new ATOM 0 HA LEU A 66 10.523 -2.113 0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.568 -2.808 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.314 -2.532 0.459 1.00 0.00 H new ATOM 0 HG LEU A 66 12.575 -4.901 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.348 -5.097 2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.680 -3.923 2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.003 -3.351 2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.136 -5.395 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.786 -3.651 0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.603 -4.445 -1.272 1.00 0.00 H new ATOM 1015 N GLU A 67 12.932 0.137 0.481 1.00 0.00 N ATOM 1016 CA GLU A 67 13.579 1.259 1.211 1.00 0.00 C ATOM 1017 C GLU A 67 12.476 2.182 1.726 1.00 0.00 C ATOM 1018 O GLU A 67 12.688 3.006 2.593 1.00 0.00 O ATOM 1019 CB GLU A 67 14.501 2.031 0.265 1.00 0.00 C ATOM 1020 CG GLU A 67 15.960 1.805 0.672 1.00 0.00 C ATOM 1021 CD GLU A 67 16.222 2.451 2.034 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.551 3.625 2.058 1.00 0.00 O ATOM 1023 OE2 GLU A 67 16.091 1.759 3.031 1.00 0.00 O ATOM 0 H GLU A 67 13.280 -0.030 -0.463 1.00 0.00 H new ATOM 0 HA GLU A 67 14.175 0.879 2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.344 1.701 -0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.264 3.094 0.298 1.00 0.00 H new ATOM 0 HG2 GLU A 67 16.173 0.737 0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.627 2.231 -0.078 1.00 0.00 H new ATOM 1030 N LEU A 68 11.291 2.028 1.200 1.00 0.00 N ATOM 1031 CA LEU A 68 10.149 2.868 1.650 1.00 0.00 C ATOM 1032 C LEU A 68 9.695 2.368 3.019 1.00 0.00 C ATOM 1033 O LEU A 68 9.766 3.072 4.004 1.00 0.00 O ATOM 1034 CB LEU A 68 8.998 2.725 0.653 1.00 0.00 C ATOM 1035 CG LEU A 68 8.193 4.029 0.583 1.00 0.00 C ATOM 1036 CD1 LEU A 68 9.014 5.132 -0.096 1.00 0.00 C ATOM 1037 CD2 LEU A 68 6.908 3.782 -0.216 1.00 0.00 C ATOM 0 H LEU A 68 11.066 1.350 0.472 1.00 0.00 H new ATOM 0 HA LEU A 68 10.448 3.914 1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.390 2.478 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.348 1.903 0.953 1.00 0.00 H new ATOM 0 HG LEU A 68 7.948 4.351 1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.427 6.050 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.926 5.310 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.273 4.822 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.330 4.705 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.163 3.454 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.315 3.011 0.277 1.00 0.00 H new ATOM 1049 N LEU A 69 9.237 1.145 3.078 1.00 0.00 N ATOM 1050 CA LEU A 69 8.784 0.561 4.374 1.00 0.00 C ATOM 1051 C LEU A 69 9.796 0.918 5.460 1.00 0.00 C ATOM 1052 O LEU A 69 9.494 1.617 6.407 1.00 0.00 O ATOM 1053 CB LEU A 69 8.733 -0.957 4.230 1.00 0.00 C ATOM 1054 CG LEU A 69 7.399 -1.516 4.729 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.337 -3.019 4.430 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.249 -1.319 6.245 1.00 0.00 C ATOM 0 H LEU A 69 9.157 0.520 2.276 1.00 0.00 H new ATOM 0 HA LEU A 69 7.801 0.950 4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.877 -1.231 3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.552 -1.406 4.793 1.00 0.00 H new ATOM 0 HG LEU A 69 6.596 -0.984 4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.388 -3.422 4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.421 -3.180 3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.158 -3.525 4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.292 -1.726 6.572 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.058 -1.836 6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.290 -0.255 6.480 1.00 0.00 H new ATOM 1068 N LYS A 70 11.001 0.440 5.321 1.00 0.00 N ATOM 1069 CA LYS A 70 12.047 0.745 6.338 1.00 0.00 C ATOM 1070 C LYS A 70 12.036 2.245 6.644 1.00 0.00 C ATOM 1071 O LYS A 70 12.117 2.654 7.785 1.00 0.00 O ATOM 1072 CB LYS A 70 13.419 0.340 5.796 1.00 0.00 C ATOM 1073 CG LYS A 70 13.981 -0.809 6.637 1.00 0.00 C ATOM 1074 CD LYS A 70 15.326 -1.256 6.061 1.00 0.00 C ATOM 1075 CE LYS A 70 15.292 -2.760 5.791 1.00 0.00 C ATOM 1076 NZ LYS A 70 16.651 -3.222 5.388 1.00 0.00 N ATOM 0 H LYS A 70 11.307 -0.149 4.547 1.00 0.00 H new ATOM 0 HA LYS A 70 11.842 0.188 7.252 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.334 0.034 4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.099 1.192 5.824 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.105 -0.489 7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.281 -1.645 6.644 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.536 -0.715 5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.129 -1.019 6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.964 -3.293 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.572 -2.983 5.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.629 -4.245 5.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.946 -2.721 4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.327 -3.022 6.153 1.00 0.00 H new ATOM 1090 N THR A 71 11.936 3.069 5.637 1.00 0.00 N ATOM 1091 CA THR A 71 11.919 4.540 5.880 1.00 0.00 C ATOM 1092 C THR A 71 10.592 4.929 6.536 1.00 0.00 C ATOM 1093 O THR A 71 10.497 5.924 7.227 1.00 0.00 O ATOM 1094 CB THR A 71 12.070 5.282 4.551 1.00 0.00 C ATOM 1095 OG1 THR A 71 13.408 5.157 4.090 1.00 0.00 O ATOM 1096 CG2 THR A 71 11.734 6.759 4.751 1.00 0.00 C ATOM 0 H THR A 71 11.865 2.789 4.659 1.00 0.00 H new ATOM 0 HA THR A 71 12.745 4.810 6.538 1.00 0.00 H new ATOM 0 HB THR A 71 11.391 4.853 3.815 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.473 4.396 3.476 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.842 7.288 3.804 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.708 6.854 5.105 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.413 7.190 5.487 1.00 0.00 H new ATOM 1104 N ILE A 72 9.569 4.146 6.329 1.00 0.00 N ATOM 1105 CA ILE A 72 8.249 4.461 6.945 1.00 0.00 C ATOM 1106 C ILE A 72 8.264 4.001 8.403 1.00 0.00 C ATOM 1107 O ILE A 72 7.369 4.297 9.169 1.00 0.00 O ATOM 1108 CB ILE A 72 7.147 3.717 6.188 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.015 4.292 4.768 1.00 0.00 C ATOM 1110 CG2 ILE A 72 5.819 3.885 6.932 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.386 3.254 3.825 1.00 0.00 C ATOM 0 H ILE A 72 9.590 3.300 5.759 1.00 0.00 H new ATOM 0 HA ILE A 72 8.061 5.534 6.896 1.00 0.00 H new ATOM 0 HB ILE A 72 7.401 2.659 6.126 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.401 5.192 4.789 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.996 4.584 4.395 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.032 3.356 6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.911 3.475 7.938 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.568 4.944 6.994 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.300 3.677 2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.016 2.365 3.790 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.396 2.983 4.191 1.00 0.00 H new ATOM 1123 N ARG A 73 9.277 3.273 8.786 1.00 0.00 N ATOM 1124 CA ARG A 73 9.361 2.783 10.191 1.00 0.00 C ATOM 1125 C ARG A 73 10.039 3.842 11.064 1.00 0.00 C ATOM 1126 O ARG A 73 9.631 4.095 12.179 1.00 0.00 O ATOM 1127 CB ARG A 73 10.186 1.495 10.224 1.00 0.00 C ATOM 1128 CG ARG A 73 9.741 0.631 11.405 1.00 0.00 C ATOM 1129 CD ARG A 73 10.830 -0.396 11.729 1.00 0.00 C ATOM 1130 NE ARG A 73 10.200 -1.707 12.052 1.00 0.00 N ATOM 1131 CZ ARG A 73 10.822 -2.817 11.767 1.00 0.00 C ATOM 1132 NH1 ARG A 73 10.905 -3.221 10.529 1.00 0.00 N ATOM 1133 NH2 ARG A 73 11.364 -3.525 12.721 1.00 0.00 N ATOM 0 H ARG A 73 10.053 2.996 8.184 1.00 0.00 H new ATOM 0 HA ARG A 73 8.358 2.589 10.571 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.060 0.946 9.291 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.246 1.732 10.313 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.548 1.258 12.275 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.807 0.123 11.165 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.505 -0.505 10.880 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.430 -0.052 12.572 1.00 0.00 H new ATOM 0 HE ARG A 73 9.282 -1.736 12.496 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.483 -2.668 9.783 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.392 -4.089 10.308 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.301 -3.210 13.689 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.851 -4.393 12.498 1.00 0.00 H new ATOM 1147 N ALA A 74 11.075 4.459 10.564 1.00 0.00 N ATOM 1148 CA ALA A 74 11.784 5.498 11.363 1.00 0.00 C ATOM 1149 C ALA A 74 10.985 6.801 11.336 1.00 0.00 C ATOM 1150 O ALA A 74 11.080 7.618 12.230 1.00 0.00 O ATOM 1151 CB ALA A 74 13.169 5.742 10.764 1.00 0.00 C ATOM 0 H ALA A 74 11.461 4.288 9.636 1.00 0.00 H new ATOM 0 HA ALA A 74 11.885 5.155 12.393 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.689 6.502 11.347 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.742 4.815 10.783 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.065 6.083 9.734 1.00 0.00 H new ATOM 1157 N ASP A 75 10.204 7.003 10.313 1.00 0.00 N ATOM 1158 CA ASP A 75 9.402 8.256 10.224 1.00 0.00 C ATOM 1159 C ASP A 75 8.693 8.509 11.556 1.00 0.00 C ATOM 1160 O ASP A 75 7.765 7.813 11.920 1.00 0.00 O ATOM 1161 CB ASP A 75 8.359 8.115 9.113 1.00 0.00 C ATOM 1162 CG ASP A 75 7.609 9.438 8.946 1.00 0.00 C ATOM 1163 OD1 ASP A 75 8.264 10.440 8.704 1.00 0.00 O ATOM 1164 OD2 ASP A 75 6.395 9.428 9.062 1.00 0.00 O ATOM 0 H ASP A 75 10.086 6.355 9.534 1.00 0.00 H new ATOM 0 HA ASP A 75 10.064 9.093 10.001 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.844 7.839 8.177 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.659 7.316 9.356 1.00 0.00 H new ATOM 1169 N GLY A 76 9.120 9.505 12.285 1.00 0.00 N ATOM 1170 CA GLY A 76 8.471 9.810 13.592 1.00 0.00 C ATOM 1171 C GLY A 76 8.283 8.520 14.391 1.00 0.00 C ATOM 1172 O GLY A 76 7.347 8.382 15.154 1.00 0.00 O ATOM 0 H GLY A 76 9.892 10.122 12.031 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.083 10.513 14.157 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.506 10.290 13.426 1.00 0.00 H new ATOM 1176 N ALA A 77 9.165 7.573 14.225 1.00 0.00 N ATOM 1177 CA ALA A 77 9.036 6.291 14.976 1.00 0.00 C ATOM 1178 C ALA A 77 7.593 5.792 14.889 1.00 0.00 C ATOM 1179 O ALA A 77 6.930 5.607 15.889 1.00 0.00 O ATOM 1180 CB ALA A 77 9.409 6.519 16.442 1.00 0.00 C ATOM 0 H ALA A 77 9.970 7.631 13.601 1.00 0.00 H new ATOM 0 HA ALA A 77 9.704 5.547 14.542 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.315 5.582 16.991 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.437 6.875 16.505 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.741 7.263 16.876 1.00 0.00 H new ATOM 1186 N MET A 78 7.102 5.572 13.701 1.00 0.00 N ATOM 1187 CA MET A 78 5.702 5.087 13.554 1.00 0.00 C ATOM 1188 C MET A 78 5.688 3.560 13.560 1.00 0.00 C ATOM 1189 O MET A 78 5.111 2.938 14.431 1.00 0.00 O ATOM 1190 CB MET A 78 5.120 5.594 12.232 1.00 0.00 C ATOM 1191 CG MET A 78 4.492 6.971 12.448 1.00 0.00 C ATOM 1192 SD MET A 78 2.833 6.773 13.145 1.00 0.00 S ATOM 1193 CE MET A 78 2.082 8.224 12.366 1.00 0.00 C ATOM 0 H MET A 78 7.609 5.707 12.827 1.00 0.00 H new ATOM 0 HA MET A 78 5.102 5.461 14.383 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.903 5.654 11.476 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.371 4.895 11.860 1.00 0.00 H new ATOM 0 HG2 MET A 78 5.112 7.564 13.120 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.439 7.511 11.503 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.036 8.297 12.665 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.613 9.122 12.681 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.144 8.128 11.282 1.00 0.00 H new ATOM 1203 N SER A 79 6.316 2.953 12.596 1.00 0.00 N ATOM 1204 CA SER A 79 6.338 1.466 12.540 1.00 0.00 C ATOM 1205 C SER A 79 4.922 0.934 12.758 1.00 0.00 C ATOM 1206 O SER A 79 4.729 -0.138 13.297 1.00 0.00 O ATOM 1207 CB SER A 79 7.257 0.927 13.637 1.00 0.00 C ATOM 1208 OG SER A 79 8.162 1.949 14.034 1.00 0.00 O ATOM 0 H SER A 79 6.817 3.423 11.842 1.00 0.00 H new ATOM 0 HA SER A 79 6.707 1.142 11.567 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.667 0.595 14.491 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.807 0.059 13.273 1.00 0.00 H new ATOM 0 HG SER A 79 9.007 1.544 14.321 1.00 0.00 H new ATOM 1214 N ALA A 80 3.931 1.681 12.351 1.00 0.00 N ATOM 1215 CA ALA A 80 2.525 1.225 12.542 1.00 0.00 C ATOM 1216 C ALA A 80 1.674 1.627 11.335 1.00 0.00 C ATOM 1217 O ALA A 80 0.706 0.967 11.008 1.00 0.00 O ATOM 1218 CB ALA A 80 1.951 1.868 13.805 1.00 0.00 C ATOM 0 H ALA A 80 4.035 2.587 11.895 1.00 0.00 H new ATOM 0 HA ALA A 80 2.512 0.140 12.642 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.923 1.536 13.947 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.550 1.574 14.667 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.971 2.953 13.702 1.00 0.00 H new ATOM 1224 N LEU A 81 2.016 2.699 10.667 1.00 0.00 N ATOM 1225 CA LEU A 81 1.208 3.118 9.487 1.00 0.00 C ATOM 1226 C LEU A 81 0.984 1.885 8.582 1.00 0.00 C ATOM 1227 O LEU A 81 1.938 1.383 8.023 1.00 0.00 O ATOM 1228 CB LEU A 81 1.961 4.192 8.696 1.00 0.00 C ATOM 1229 CG LEU A 81 0.959 5.223 8.154 1.00 0.00 C ATOM 1230 CD1 LEU A 81 0.367 6.062 9.297 1.00 0.00 C ATOM 1231 CD2 LEU A 81 1.668 6.148 7.165 1.00 0.00 C ATOM 0 H LEU A 81 2.813 3.296 10.886 1.00 0.00 H new ATOM 0 HA LEU A 81 0.253 3.524 9.820 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.695 4.683 9.335 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.510 3.735 7.873 1.00 0.00 H new ATOM 0 HG LEU A 81 0.149 4.691 7.656 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.340 6.785 8.889 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.148 5.407 10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.169 6.590 9.814 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.959 6.880 6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.484 6.664 7.671 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.068 5.560 6.339 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.244 1.395 8.469 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.513 0.198 7.644 1.00 0.00 C ATOM 1245 C PRO A 82 -0.137 0.391 6.168 1.00 0.00 C ATOM 1246 O PRO A 82 -0.828 1.049 5.414 1.00 0.00 O ATOM 1247 CB PRO A 82 -2.019 -0.048 7.771 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.601 1.037 8.705 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.449 1.958 9.126 1.00 0.00 C ATOM 0 HA PRO A 82 0.090 -0.641 7.991 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.496 -0.005 6.792 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.210 -1.042 8.175 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.377 1.606 8.193 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.064 0.580 9.579 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.628 2.985 8.807 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.335 1.976 10.210 1.00 0.00 H new ATOM 1257 N VAL A 83 0.922 -0.241 5.741 1.00 0.00 N ATOM 1258 CA VAL A 83 1.320 -0.172 4.305 1.00 0.00 C ATOM 1259 C VAL A 83 1.041 -1.528 3.700 1.00 0.00 C ATOM 1260 O VAL A 83 1.618 -2.513 4.103 1.00 0.00 O ATOM 1261 CB VAL A 83 2.826 0.103 4.162 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.365 -0.574 2.879 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.101 1.600 4.091 1.00 0.00 C ATOM 0 H VAL A 83 1.534 -0.807 6.330 1.00 0.00 H new ATOM 0 HA VAL A 83 0.767 0.629 3.814 1.00 0.00 H new ATOM 0 HB VAL A 83 3.330 -0.307 5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.432 -0.375 2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.200 -1.650 2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.843 -0.174 2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.173 1.769 3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.584 2.024 3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.743 2.079 5.002 1.00 0.00 H new ATOM 1273 N LEU A 84 0.199 -1.601 2.721 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.040 -2.919 2.107 1.00 0.00 C ATOM 1275 C LEU A 84 0.822 -3.021 0.867 1.00 0.00 C ATOM 1276 O LEU A 84 0.523 -2.453 -0.165 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.510 -3.095 1.748 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.867 -4.591 1.744 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.860 -5.387 0.905 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -1.866 -5.154 3.178 1.00 0.00 C ATOM 0 H LEU A 84 -0.325 -0.820 2.326 1.00 0.00 H new ATOM 0 HA LEU A 84 0.218 -3.707 2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.136 -2.564 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.710 -2.661 0.768 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.863 -4.690 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.131 -6.443 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.871 -5.020 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.139 -5.265 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.121 -6.213 3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.876 -5.029 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.600 -4.618 3.780 1.00 0.00 H new ATOM 1292 N MET A 85 1.904 -3.731 0.964 1.00 0.00 N ATOM 1293 CA MET A 85 2.795 -3.852 -0.207 1.00 0.00 C ATOM 1294 C MET A 85 2.215 -4.899 -1.162 1.00 0.00 C ATOM 1295 O MET A 85 2.177 -6.082 -0.870 1.00 0.00 O ATOM 1296 CB MET A 85 4.190 -4.268 0.261 1.00 0.00 C ATOM 1297 CG MET A 85 5.222 -3.279 -0.282 1.00 0.00 C ATOM 1298 SD MET A 85 5.133 -3.242 -2.089 1.00 0.00 S ATOM 1299 CE MET A 85 5.961 -1.649 -2.326 1.00 0.00 C ATOM 0 H MET A 85 2.207 -4.230 1.801 1.00 0.00 H new ATOM 0 HA MET A 85 2.871 -2.897 -0.727 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.229 -4.290 1.350 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.417 -5.276 -0.087 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.035 -2.284 0.122 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.223 -3.570 0.037 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.241 -0.915 -2.687 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.379 -1.311 -1.378 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.763 -1.761 -3.056 1.00 0.00 H new ATOM 1309 N VAL A 86 1.738 -4.465 -2.291 1.00 0.00 N ATOM 1310 CA VAL A 86 1.131 -5.412 -3.263 1.00 0.00 C ATOM 1311 C VAL A 86 2.110 -5.703 -4.403 1.00 0.00 C ATOM 1312 O VAL A 86 2.794 -4.827 -4.879 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.141 -4.779 -3.823 1.00 0.00 C ATOM 1314 CG1 VAL A 86 0.063 -3.279 -4.003 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.472 -5.435 -5.158 1.00 0.00 C ATOM 0 H VAL A 86 1.742 -3.488 -2.585 1.00 0.00 H new ATOM 0 HA VAL A 86 0.896 -6.352 -2.764 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.968 -4.932 -3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.848 -2.833 -4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.296 -2.825 -3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.887 -3.104 -4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.379 -4.990 -5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.353 -5.281 -5.854 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.627 -6.504 -5.010 1.00 0.00 H new ATOM 1325 N THR A 87 2.181 -6.926 -4.861 1.00 0.00 N ATOM 1326 CA THR A 87 3.125 -7.229 -5.981 1.00 0.00 C ATOM 1327 C THR A 87 2.586 -8.378 -6.830 1.00 0.00 C ATOM 1328 O THR A 87 2.159 -9.394 -6.320 1.00 0.00 O ATOM 1329 CB THR A 87 4.499 -7.608 -5.423 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.368 -7.926 -6.501 1.00 0.00 O ATOM 1331 CG2 THR A 87 4.368 -8.819 -4.502 1.00 0.00 C ATOM 0 H THR A 87 1.637 -7.717 -4.516 1.00 0.00 H new ATOM 0 HA THR A 87 3.221 -6.339 -6.603 1.00 0.00 H new ATOM 0 HB THR A 87 4.904 -6.770 -4.856 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.250 -8.168 -6.150 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.349 -9.084 -4.108 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.698 -8.578 -3.676 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.963 -9.661 -5.063 1.00 0.00 H new ATOM 1339 N ALA A 88 2.618 -8.231 -8.125 1.00 0.00 N ATOM 1340 CA ALA A 88 2.122 -9.321 -9.009 1.00 0.00 C ATOM 1341 C ALA A 88 3.112 -10.487 -8.965 1.00 0.00 C ATOM 1342 O ALA A 88 2.770 -11.591 -8.591 1.00 0.00 O ATOM 1343 CB ALA A 88 2.005 -8.800 -10.444 1.00 0.00 C ATOM 0 H ALA A 88 2.966 -7.403 -8.609 1.00 0.00 H new ATOM 0 HA ALA A 88 1.143 -9.657 -8.668 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.642 -9.598 -11.092 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.307 -7.964 -10.472 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.983 -8.467 -10.791 1.00 0.00 H new ATOM 1349 N GLU A 89 4.341 -10.247 -9.336 1.00 0.00 N ATOM 1350 CA GLU A 89 5.357 -11.336 -9.307 1.00 0.00 C ATOM 1351 C GLU A 89 5.811 -11.557 -7.862 1.00 0.00 C ATOM 1352 O GLU A 89 6.941 -11.287 -7.507 1.00 0.00 O ATOM 1353 CB GLU A 89 6.557 -10.936 -10.168 1.00 0.00 C ATOM 1354 CG GLU A 89 7.356 -12.184 -10.546 1.00 0.00 C ATOM 1355 CD GLU A 89 6.950 -12.643 -11.948 1.00 0.00 C ATOM 1356 OE1 GLU A 89 6.942 -11.813 -12.842 1.00 0.00 O ATOM 1357 OE2 GLU A 89 6.654 -13.816 -12.104 1.00 0.00 O ATOM 0 H GLU A 89 4.685 -9.342 -9.658 1.00 0.00 H new ATOM 0 HA GLU A 89 4.924 -12.256 -9.700 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.217 -10.423 -11.068 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.191 -10.237 -9.623 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.424 -11.968 -10.517 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.172 -12.979 -9.824 1.00 0.00 H new ATOM 1364 N ALA A 90 4.935 -12.040 -7.024 1.00 0.00 N ATOM 1365 CA ALA A 90 5.309 -12.270 -5.600 1.00 0.00 C ATOM 1366 C ALA A 90 6.216 -13.496 -5.494 1.00 0.00 C ATOM 1367 O ALA A 90 5.784 -14.618 -5.669 1.00 0.00 O ATOM 1368 CB ALA A 90 4.041 -12.504 -4.777 1.00 0.00 C ATOM 0 H ALA A 90 3.975 -12.286 -7.265 1.00 0.00 H new ATOM 0 HA ALA A 90 5.840 -11.397 -5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.310 -12.673 -3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.395 -11.629 -4.848 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.514 -13.377 -5.161 1.00 0.00 H new ATOM 1374 N LYS A 91 7.469 -13.292 -5.200 1.00 0.00 N ATOM 1375 CA LYS A 91 8.400 -14.447 -5.074 1.00 0.00 C ATOM 1376 C LYS A 91 8.422 -14.910 -3.616 1.00 0.00 C ATOM 1377 O LYS A 91 8.532 -14.114 -2.707 1.00 0.00 O ATOM 1378 CB LYS A 91 9.809 -14.013 -5.498 1.00 0.00 C ATOM 1379 CG LYS A 91 10.474 -15.114 -6.333 1.00 0.00 C ATOM 1380 CD LYS A 91 10.027 -14.993 -7.791 1.00 0.00 C ATOM 1381 CE LYS A 91 10.664 -16.112 -8.614 1.00 0.00 C ATOM 1382 NZ LYS A 91 9.746 -17.285 -8.649 1.00 0.00 N ATOM 0 H LYS A 91 7.889 -12.376 -5.042 1.00 0.00 H new ATOM 0 HA LYS A 91 8.068 -15.264 -5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.755 -13.091 -6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.413 -13.801 -4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.559 -15.030 -6.266 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.206 -16.095 -5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.941 -15.053 -7.856 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.317 -14.022 -8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.866 -15.764 -9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.621 -16.398 -8.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.178 -18.047 -9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.575 -17.621 -7.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.843 -17.006 -9.083 1.00 0.00 H new ATOM 1396 N LYS A 92 8.313 -16.188 -3.385 1.00 0.00 N ATOM 1397 CA LYS A 92 8.321 -16.693 -1.982 1.00 0.00 C ATOM 1398 C LYS A 92 9.474 -16.048 -1.208 1.00 0.00 C ATOM 1399 O LYS A 92 9.452 -15.968 0.004 1.00 0.00 O ATOM 1400 CB LYS A 92 8.504 -18.212 -1.991 1.00 0.00 C ATOM 1401 CG LYS A 92 7.429 -18.861 -1.115 1.00 0.00 C ATOM 1402 CD LYS A 92 7.758 -20.343 -0.919 1.00 0.00 C ATOM 1403 CE LYS A 92 6.461 -21.140 -0.772 1.00 0.00 C ATOM 1404 NZ LYS A 92 5.940 -21.497 -2.121 1.00 0.00 N ATOM 0 H LYS A 92 8.219 -16.905 -4.105 1.00 0.00 H new ATOM 0 HA LYS A 92 7.376 -16.439 -1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.435 -18.591 -3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.496 -18.472 -1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.379 -18.358 -0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.450 -18.753 -1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.331 -20.714 -1.769 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.380 -20.474 -0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.641 -22.044 -0.190 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.721 -20.553 -0.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.058 -22.039 -2.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.753 -20.629 -2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.645 -22.073 -2.624 1.00 0.00 H new ATOM 1418 N GLU A 93 10.487 -15.596 -1.896 1.00 0.00 N ATOM 1419 CA GLU A 93 11.639 -14.971 -1.204 1.00 0.00 C ATOM 1420 C GLU A 93 11.418 -13.463 -1.049 1.00 0.00 C ATOM 1421 O GLU A 93 11.560 -12.915 0.025 1.00 0.00 O ATOM 1422 CB GLU A 93 12.913 -15.215 -2.017 1.00 0.00 C ATOM 1423 CG GLU A 93 14.102 -15.380 -1.069 1.00 0.00 C ATOM 1424 CD GLU A 93 15.400 -15.082 -1.822 1.00 0.00 C ATOM 1425 OE1 GLU A 93 15.689 -13.914 -2.023 1.00 0.00 O ATOM 1426 OE2 GLU A 93 16.082 -16.026 -2.184 1.00 0.00 O ATOM 0 H GLU A 93 10.562 -15.635 -2.912 1.00 0.00 H new ATOM 0 HA GLU A 93 11.738 -15.416 -0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.799 -16.108 -2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.089 -14.380 -2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.999 -14.706 -0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 93 14.125 -16.394 -0.670 1.00 0.00 H new ATOM 1433 N ASN A 94 11.086 -12.784 -2.114 1.00 0.00 N ATOM 1434 CA ASN A 94 10.878 -11.314 -2.027 1.00 0.00 C ATOM 1435 C ASN A 94 9.676 -10.999 -1.133 1.00 0.00 C ATOM 1436 O ASN A 94 9.650 -9.997 -0.447 1.00 0.00 O ATOM 1437 CB ASN A 94 10.634 -10.757 -3.428 1.00 0.00 C ATOM 1438 CG ASN A 94 11.919 -10.869 -4.250 1.00 0.00 C ATOM 1439 OD1 ASN A 94 12.398 -11.956 -4.505 1.00 0.00 O ATOM 1440 ND2 ASN A 94 12.502 -9.783 -4.677 1.00 0.00 N ATOM 0 H ASN A 94 10.950 -13.187 -3.041 1.00 0.00 H new ATOM 0 HA ASN A 94 11.766 -10.853 -1.595 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.829 -11.307 -3.915 1.00 0.00 H new ATOM 0 HB3 ASN A 94 10.318 -9.716 -3.367 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.360 -9.846 -5.225 1.00 0.00 H new ATOM 0 HD22 ASN A 94 12.100 -8.870 -4.463 1.00 0.00 H new ATOM 1447 N ILE A 95 8.680 -11.838 -1.133 1.00 0.00 N ATOM 1448 CA ILE A 95 7.491 -11.566 -0.278 1.00 0.00 C ATOM 1449 C ILE A 95 7.937 -11.413 1.175 1.00 0.00 C ATOM 1450 O ILE A 95 7.245 -10.830 1.987 1.00 0.00 O ATOM 1451 CB ILE A 95 6.498 -12.725 -0.386 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.825 -12.688 -1.763 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.434 -12.585 0.709 1.00 0.00 C ATOM 1454 CD1 ILE A 95 4.993 -13.956 -1.969 1.00 0.00 C ATOM 0 H ILE A 95 8.636 -12.695 -1.684 1.00 0.00 H new ATOM 0 HA ILE A 95 7.009 -10.648 -0.613 1.00 0.00 H new ATOM 0 HB ILE A 95 7.023 -13.672 -0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.188 -11.807 -1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.580 -12.607 -2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.725 -13.409 0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.914 -12.606 1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.906 -11.640 0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.517 -13.924 -2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.641 -14.830 -1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.227 -14.018 -1.196 1.00 0.00 H new ATOM 1466 N ILE A 96 9.086 -11.929 1.513 1.00 0.00 N ATOM 1467 CA ILE A 96 9.568 -11.807 2.918 1.00 0.00 C ATOM 1468 C ILE A 96 10.337 -10.495 3.076 1.00 0.00 C ATOM 1469 O ILE A 96 10.575 -10.034 4.173 1.00 0.00 O ATOM 1470 CB ILE A 96 10.492 -12.983 3.256 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.958 -14.267 2.610 1.00 0.00 C ATOM 1472 CG2 ILE A 96 10.560 -13.167 4.776 1.00 0.00 C ATOM 1473 CD1 ILE A 96 8.473 -14.440 2.938 1.00 0.00 C ATOM 0 H ILE A 96 9.711 -12.428 0.880 1.00 0.00 H new ATOM 0 HA ILE A 96 8.713 -11.817 3.594 1.00 0.00 H new ATOM 0 HB ILE A 96 11.490 -12.773 2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 96 10.098 -14.226 1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 96 10.521 -15.127 2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.218 -14.004 5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.949 -12.258 5.235 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.561 -13.370 5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.102 -15.355 2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.344 -14.502 4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.914 -13.587 2.554 1.00 0.00 H new ATOM 1485 N ALA A 97 10.728 -9.888 1.988 1.00 0.00 N ATOM 1486 CA ALA A 97 11.482 -8.607 2.085 1.00 0.00 C ATOM 1487 C ALA A 97 10.561 -7.515 2.638 1.00 0.00 C ATOM 1488 O ALA A 97 10.924 -6.782 3.537 1.00 0.00 O ATOM 1489 CB ALA A 97 11.995 -8.207 0.703 1.00 0.00 C ATOM 0 H ALA A 97 10.558 -10.223 1.040 1.00 0.00 H new ATOM 0 HA ALA A 97 12.332 -8.733 2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.546 -7.270 0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.654 -8.986 0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.151 -8.079 0.025 1.00 0.00 H new ATOM 1495 N ALA A 98 9.367 -7.403 2.124 1.00 0.00 N ATOM 1496 CA ALA A 98 8.435 -6.361 2.650 1.00 0.00 C ATOM 1497 C ALA A 98 8.110 -6.691 4.096 1.00 0.00 C ATOM 1498 O ALA A 98 8.283 -5.883 4.986 1.00 0.00 O ATOM 1499 CB ALA A 98 7.131 -6.345 1.853 1.00 0.00 C ATOM 0 H ALA A 98 8.997 -7.981 1.369 1.00 0.00 H new ATOM 0 HA ALA A 98 8.913 -5.385 2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.468 -5.578 2.255 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.347 -6.127 0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.647 -7.319 1.928 1.00 0.00 H new ATOM 1505 N ALA A 99 7.628 -7.875 4.334 1.00 0.00 N ATOM 1506 CA ALA A 99 7.278 -8.261 5.715 1.00 0.00 C ATOM 1507 C ALA A 99 8.535 -8.210 6.588 1.00 0.00 C ATOM 1508 O ALA A 99 8.465 -7.925 7.765 1.00 0.00 O ATOM 1509 CB ALA A 99 6.709 -9.674 5.724 1.00 0.00 C ATOM 0 H ALA A 99 7.463 -8.591 3.626 1.00 0.00 H new ATOM 0 HA ALA A 99 6.531 -7.571 6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.452 -9.956 6.745 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.815 -9.710 5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.453 -10.368 5.332 1.00 0.00 H new ATOM 1515 N GLN A 100 9.692 -8.470 6.028 1.00 0.00 N ATOM 1516 CA GLN A 100 10.922 -8.394 6.863 1.00 0.00 C ATOM 1517 C GLN A 100 10.914 -7.012 7.499 1.00 0.00 C ATOM 1518 O GLN A 100 11.301 -6.824 8.634 1.00 0.00 O ATOM 1519 CB GLN A 100 12.174 -8.564 6.000 1.00 0.00 C ATOM 1520 CG GLN A 100 12.643 -10.018 6.055 1.00 0.00 C ATOM 1521 CD GLN A 100 13.500 -10.231 7.304 1.00 0.00 C ATOM 1522 OE1 GLN A 100 13.435 -9.456 8.237 1.00 0.00 O ATOM 1523 NE2 GLN A 100 14.305 -11.255 7.359 1.00 0.00 N ATOM 0 H GLN A 100 9.833 -8.726 5.051 1.00 0.00 H new ATOM 0 HA GLN A 100 10.936 -9.185 7.613 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.959 -8.280 4.970 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.965 -7.903 6.355 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.783 -10.688 6.072 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.218 -10.260 5.161 1.00 0.00 H new ATOM 0 HE21 GLN A 100 14.358 -11.905 6.574 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.882 -11.407 8.187 1.00 0.00 H new ATOM 1532 N ALA A 101 10.404 -6.053 6.773 1.00 0.00 N ATOM 1533 CA ALA A 101 10.280 -4.681 7.322 1.00 0.00 C ATOM 1534 C ALA A 101 9.014 -4.698 8.166 1.00 0.00 C ATOM 1535 O ALA A 101 8.857 -3.967 9.124 1.00 0.00 O ATOM 1536 CB ALA A 101 10.139 -3.670 6.181 1.00 0.00 C ATOM 0 H ALA A 101 10.067 -6.167 5.817 1.00 0.00 H new ATOM 0 HA ALA A 101 11.155 -4.394 7.906 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.049 -2.665 6.594 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.019 -3.721 5.539 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.249 -3.903 5.596 1.00 0.00 H new ATOM 1542 N GLY A 102 8.137 -5.597 7.818 1.00 0.00 N ATOM 1543 CA GLY A 102 6.879 -5.788 8.568 1.00 0.00 C ATOM 1544 C GLY A 102 5.939 -4.610 8.407 1.00 0.00 C ATOM 1545 O GLY A 102 5.760 -3.837 9.327 1.00 0.00 O ATOM 0 H GLY A 102 8.250 -6.222 7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.385 -6.696 8.223 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.105 -5.930 9.625 1.00 0.00 H new ATOM 1549 N ALA A 103 5.307 -4.459 7.273 1.00 0.00 N ATOM 1550 CA ALA A 103 4.374 -3.315 7.166 1.00 0.00 C ATOM 1551 C ALA A 103 2.983 -3.753 7.615 1.00 0.00 C ATOM 1552 O ALA A 103 2.760 -4.118 8.753 1.00 0.00 O ATOM 1553 CB ALA A 103 4.298 -2.940 5.688 1.00 0.00 C ATOM 0 H ALA A 103 5.394 -5.055 6.450 1.00 0.00 H new ATOM 0 HA ALA A 103 4.713 -2.482 7.782 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.618 -2.097 5.561 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.290 -2.663 5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.931 -3.792 5.115 1.00 0.00 H new ATOM 1559 N SER A 104 2.084 -3.802 6.692 1.00 0.00 N ATOM 1560 CA SER A 104 0.711 -4.311 6.971 1.00 0.00 C ATOM 1561 C SER A 104 0.706 -5.793 6.670 1.00 0.00 C ATOM 1562 O SER A 104 0.300 -6.635 7.445 1.00 0.00 O ATOM 1563 CB SER A 104 -0.321 -3.612 6.089 1.00 0.00 C ATOM 1564 OG SER A 104 -0.291 -2.218 6.340 1.00 0.00 O ATOM 0 H SER A 104 2.238 -3.505 5.728 1.00 0.00 H new ATOM 0 HA SER A 104 0.450 -4.116 8.011 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.109 -3.808 5.038 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.316 -4.007 6.292 1.00 0.00 H new ATOM 0 HG SER A 104 -1.109 -1.805 5.993 1.00 0.00 H new ATOM 1570 N GLY A 105 1.144 -6.068 5.474 1.00 0.00 N ATOM 1571 CA GLY A 105 1.191 -7.448 4.937 1.00 0.00 C ATOM 1572 C GLY A 105 1.404 -7.349 3.428 1.00 0.00 C ATOM 1573 O GLY A 105 1.759 -6.297 2.920 1.00 0.00 O ATOM 0 H GLY A 105 1.484 -5.360 4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.999 -8.012 5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.264 -7.977 5.159 1.00 0.00 H new ATOM 1577 N TYR A 106 1.193 -8.419 2.707 1.00 0.00 N ATOM 1578 CA TYR A 106 1.386 -8.366 1.230 1.00 0.00 C ATOM 1579 C TYR A 106 0.205 -9.003 0.520 1.00 0.00 C ATOM 1580 O TYR A 106 -0.469 -9.868 1.046 1.00 0.00 O ATOM 1581 CB TYR A 106 2.660 -9.118 0.837 1.00 0.00 C ATOM 1582 CG TYR A 106 2.354 -10.094 -0.284 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.221 -9.641 -1.607 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.215 -11.458 0.000 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.952 -10.555 -2.633 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.944 -12.366 -1.026 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.814 -11.917 -2.342 1.00 0.00 C ATOM 1588 OH TYR A 106 1.551 -12.815 -3.354 1.00 0.00 O ATOM 0 H TYR A 106 0.897 -9.323 3.076 1.00 0.00 H new ATOM 0 HA TYR A 106 1.469 -7.320 0.935 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.427 -8.412 0.518 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.058 -9.653 1.699 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.326 -8.590 -1.832 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.318 -11.809 1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.851 -10.208 -3.651 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.835 -13.417 -0.801 1.00 0.00 H new ATOM 0 HH TYR A 106 1.486 -13.719 -2.981 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.037 -8.582 -0.681 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.162 -9.156 -1.461 1.00 0.00 C ATOM 1600 C VAL A 107 -0.756 -9.199 -2.927 1.00 0.00 C ATOM 1601 O VAL A 107 0.005 -8.377 -3.391 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.393 -8.265 -1.308 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.076 -6.896 -1.893 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.579 -8.876 -2.058 1.00 0.00 C ATOM 0 H VAL A 107 0.499 -7.859 -1.162 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.395 -10.158 -1.102 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.652 -8.175 -0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.946 -6.247 -1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.232 -6.459 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.823 -7.001 -2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.452 -8.234 -1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.332 -8.967 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.798 -9.863 -1.650 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.259 -10.132 -3.672 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.887 -10.175 -5.104 1.00 0.00 C ATOM 1616 C VAL A 108 -1.738 -9.148 -5.851 1.00 0.00 C ATOM 1617 O VAL A 108 -2.423 -8.347 -5.247 1.00 0.00 O ATOM 1618 CB VAL A 108 -1.153 -11.570 -5.680 1.00 0.00 C ATOM 1619 CG1 VAL A 108 0.086 -12.060 -6.428 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -1.484 -12.544 -4.545 1.00 0.00 C ATOM 0 H VAL A 108 -1.903 -10.858 -3.358 1.00 0.00 H new ATOM 0 HA VAL A 108 0.173 -9.949 -5.215 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.996 -11.519 -6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.105 -13.052 -6.837 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.317 -11.371 -7.240 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.931 -12.107 -5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.672 -13.535 -4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.644 -12.594 -3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.371 -12.197 -4.015 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.711 -9.161 -7.151 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.535 -8.179 -7.914 1.00 0.00 C ATOM 1632 C LYS A 109 -2.738 -8.699 -9.351 1.00 0.00 C ATOM 1633 O LYS A 109 -1.921 -9.456 -9.836 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.809 -6.821 -7.927 1.00 0.00 C ATOM 1635 CG LYS A 109 -1.300 -6.461 -9.332 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.481 -5.171 -9.254 1.00 0.00 C ATOM 1637 CE LYS A 109 0.217 -4.928 -10.595 1.00 0.00 C ATOM 1638 NZ LYS A 109 -0.762 -5.108 -11.703 1.00 0.00 N ATOM 0 H LYS A 109 -1.159 -9.804 -7.719 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.511 -8.055 -7.445 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.486 -6.043 -7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.969 -6.851 -7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.688 -7.271 -9.729 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.140 -6.332 -10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.130 -4.330 -9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.257 -5.244 -8.455 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.634 -3.921 -10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.050 -5.621 -10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -0.403 -4.645 -12.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.896 -6.123 -11.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.672 -4.682 -11.435 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.783 -8.250 -10.020 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.800 -7.328 -9.464 1.00 0.00 C ATOM 1654 C PRO A 110 -5.734 -8.097 -8.521 1.00 0.00 C ATOM 1655 O PRO A 110 -6.210 -9.165 -8.850 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.605 -6.860 -10.684 1.00 0.00 C ATOM 1657 CG PRO A 110 -5.028 -7.578 -11.930 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.993 -8.600 -11.434 1.00 0.00 C ATOM 0 HA PRO A 110 -4.352 -6.506 -8.906 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.661 -7.098 -10.560 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.533 -5.778 -10.798 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.821 -8.075 -12.488 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.564 -6.860 -12.606 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -4.360 -9.621 -11.541 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.065 -8.534 -12.002 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.004 -7.575 -7.355 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.909 -8.305 -6.422 1.00 0.00 C ATOM 1668 C PHE A 111 -8.351 -7.878 -6.669 1.00 0.00 C ATOM 1669 O PHE A 111 -8.618 -6.844 -7.248 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.552 -7.987 -4.955 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.056 -6.565 -4.825 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -6.897 -5.492 -5.141 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.748 -6.319 -4.407 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.426 -4.183 -5.047 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.275 -5.008 -4.318 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.113 -3.938 -4.642 1.00 0.00 C ATOM 0 H PHE A 111 -5.642 -6.686 -7.011 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.791 -9.374 -6.600 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.428 -8.132 -4.322 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.787 -8.679 -4.603 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.912 -5.678 -5.458 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.100 -7.144 -4.152 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.079 -3.357 -5.288 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.260 -4.821 -3.998 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.746 -2.924 -4.579 1.00 0.00 H new ATOM 1686 N THR A 112 -9.278 -8.651 -6.195 1.00 0.00 N ATOM 1687 CA THR A 112 -10.705 -8.275 -6.335 1.00 0.00 C ATOM 1688 C THR A 112 -11.090 -7.597 -5.025 1.00 0.00 C ATOM 1689 O THR A 112 -10.582 -7.950 -3.980 1.00 0.00 O ATOM 1690 CB THR A 112 -11.568 -9.520 -6.551 1.00 0.00 C ATOM 1691 OG1 THR A 112 -10.765 -10.565 -7.083 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.700 -9.193 -7.527 1.00 0.00 C ATOM 0 H THR A 112 -9.108 -9.534 -5.713 1.00 0.00 H new ATOM 0 HA THR A 112 -10.859 -7.619 -7.192 1.00 0.00 H new ATOM 0 HB THR A 112 -11.993 -9.839 -5.599 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.316 -11.364 -7.220 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.315 -10.080 -7.681 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.315 -8.392 -7.116 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.278 -8.874 -8.480 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.945 -6.622 -5.051 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.302 -5.942 -3.776 1.00 0.00 C ATOM 1702 C ALA A 113 -12.636 -6.990 -2.726 1.00 0.00 C ATOM 1703 O ALA A 113 -12.532 -6.742 -1.545 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.501 -5.017 -3.993 1.00 0.00 C ATOM 0 H ALA A 113 -12.409 -6.267 -5.887 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.457 -5.343 -3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.755 -4.524 -3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.250 -4.265 -4.741 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.354 -5.602 -4.338 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.005 -8.168 -3.141 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.304 -9.228 -2.146 1.00 0.00 C ATOM 1712 C ALA A 114 -11.977 -9.773 -1.634 1.00 0.00 C ATOM 1713 O ALA A 114 -11.832 -10.109 -0.477 1.00 0.00 O ATOM 1714 CB ALA A 114 -14.113 -10.349 -2.803 1.00 0.00 C ATOM 0 H ALA A 114 -13.111 -8.440 -4.118 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.891 -8.822 -1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.328 -11.123 -2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.049 -9.945 -3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.539 -10.779 -3.624 1.00 0.00 H new ATOM 1720 N THR A 115 -10.996 -9.842 -2.492 1.00 0.00 N ATOM 1721 CA THR A 115 -9.667 -10.339 -2.058 1.00 0.00 C ATOM 1722 C THR A 115 -9.024 -9.286 -1.152 1.00 0.00 C ATOM 1723 O THR A 115 -8.808 -9.535 0.018 1.00 0.00 O ATOM 1724 CB THR A 115 -8.786 -10.598 -3.277 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.164 -11.829 -3.877 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.317 -10.666 -2.851 1.00 0.00 C ATOM 0 H THR A 115 -11.061 -9.575 -3.474 1.00 0.00 H new ATOM 0 HA THR A 115 -9.778 -11.275 -1.510 1.00 0.00 H new ATOM 0 HB THR A 115 -8.913 -9.787 -3.994 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.601 -11.997 -4.661 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.693 -10.851 -3.725 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.027 -9.721 -2.392 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.184 -11.475 -2.132 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.712 -8.106 -1.658 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.097 -7.095 -0.757 1.00 0.00 C ATOM 1736 C LEU A 116 -8.939 -6.992 0.525 1.00 0.00 C ATOM 1737 O LEU A 116 -8.412 -6.806 1.604 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.058 -5.717 -1.443 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.625 -5.154 -1.496 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -6.682 -3.682 -1.895 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -5.945 -5.244 -0.129 1.00 0.00 C ATOM 0 H LEU A 116 -8.855 -7.816 -2.625 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.078 -7.402 -0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.455 -5.802 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.703 -5.023 -0.905 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.058 -5.740 -2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.671 -3.276 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.149 -3.589 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -7.267 -3.128 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.935 -4.839 -0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.517 -4.671 0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.897 -6.286 0.186 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.244 -7.112 0.421 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.097 -7.019 1.636 1.00 0.00 C ATOM 1755 C GLU A 117 -10.664 -8.069 2.658 1.00 0.00 C ATOM 1756 O GLU A 117 -10.251 -7.750 3.755 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.550 -7.275 1.252 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.226 -5.955 0.869 1.00 0.00 C ATOM 1759 CD GLU A 117 -13.806 -5.297 2.122 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -13.028 -4.878 2.962 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -15.020 -5.226 2.220 1.00 0.00 O ATOM 0 H GLU A 117 -10.747 -7.270 -0.452 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.993 -6.024 2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.597 -7.974 0.417 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.080 -7.737 2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.505 -5.289 0.396 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.017 -6.137 0.141 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.776 -9.321 2.302 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.390 -10.416 3.241 1.00 0.00 C ATOM 1770 C GLU A 118 -9.089 -10.054 3.954 1.00 0.00 C ATOM 1771 O GLU A 118 -8.948 -10.249 5.146 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.196 -11.715 2.455 1.00 0.00 C ATOM 1773 CG GLU A 118 -9.478 -12.741 3.334 1.00 0.00 C ATOM 1774 CD GLU A 118 -7.967 -12.612 3.138 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -7.530 -12.667 2.000 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -7.273 -12.458 4.129 1.00 0.00 O ATOM 0 H GLU A 118 -11.121 -9.635 1.395 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.179 -10.549 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.162 -12.107 2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.615 -11.523 1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.735 -12.581 4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.804 -13.749 3.076 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.137 -9.520 3.242 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.853 -9.140 3.892 1.00 0.00 C ATOM 1785 C LYS A 119 -7.072 -7.876 4.725 1.00 0.00 C ATOM 1786 O LYS A 119 -6.460 -7.682 5.757 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.795 -8.868 2.819 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.128 -10.184 2.409 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.036 -10.557 3.418 1.00 0.00 C ATOM 1790 CE LYS A 119 -2.668 -10.161 2.862 1.00 0.00 C ATOM 1791 NZ LYS A 119 -1.631 -10.341 3.919 1.00 0.00 N ATOM 0 H LYS A 119 -8.192 -9.331 2.241 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.512 -9.952 4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.256 -8.396 1.951 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.047 -8.173 3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -5.873 -10.978 2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.696 -10.087 1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.215 -10.051 4.367 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.062 -11.628 3.618 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -2.426 -10.772 1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.686 -9.124 2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.698 -10.457 3.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.618 -9.506 4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.853 -11.186 4.483 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.943 -7.013 4.280 1.00 0.00 N ATOM 1806 CA LEU A 120 -8.209 -5.757 5.035 1.00 0.00 C ATOM 1807 C LEU A 120 -8.856 -6.089 6.383 1.00 0.00 C ATOM 1808 O LEU A 120 -8.286 -5.857 7.428 1.00 0.00 O ATOM 1809 CB LEU A 120 -9.153 -4.866 4.224 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.940 -3.405 4.623 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.850 -2.787 3.747 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -10.244 -2.627 4.437 1.00 0.00 C ATOM 0 H LEU A 120 -8.484 -7.124 3.422 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.268 -5.234 5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.966 -4.994 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.188 -5.156 4.403 1.00 0.00 H new ATOM 0 HG LEU A 120 -8.635 -3.359 5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.700 -1.746 4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.919 -3.338 3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.153 -2.836 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -10.090 -1.586 4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.551 -2.676 3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -11.021 -3.064 5.064 1.00 0.00 H new ATOM 1824 N ASN A 121 -10.046 -6.623 6.366 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.733 -6.961 7.646 1.00 0.00 C ATOM 1826 C ASN A 121 -9.760 -7.670 8.589 1.00 0.00 C ATOM 1827 O ASN A 121 -9.578 -7.275 9.723 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.920 -7.881 7.360 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.893 -7.843 8.541 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -13.204 -6.695 9.076 1.00 0.00 O flip ATOM 1831 ND2 ASN A 121 -13.374 -8.868 8.979 1.00 0.00 N flip ATOM 0 H ASN A 121 -10.574 -6.840 5.521 1.00 0.00 H new ATOM 0 HA ASN A 121 -11.084 -6.042 8.116 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -12.426 -7.566 6.448 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.572 -8.901 7.195 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -13.130 -9.765 8.560 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -14.022 -8.832 9.766 1.00 0.00 H new ATOM 1838 N LYS A 122 -9.142 -8.718 8.130 1.00 0.00 N ATOM 1839 CA LYS A 122 -8.186 -9.463 8.998 1.00 0.00 C ATOM 1840 C LYS A 122 -7.062 -8.531 9.458 1.00 0.00 C ATOM 1841 O LYS A 122 -6.438 -8.756 10.477 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.586 -10.632 8.214 1.00 0.00 C ATOM 1843 CG LYS A 122 -6.789 -11.530 9.163 1.00 0.00 C ATOM 1844 CD LYS A 122 -5.365 -11.707 8.630 1.00 0.00 C ATOM 1845 CE LYS A 122 -5.408 -12.412 7.274 1.00 0.00 C ATOM 1846 NZ LYS A 122 -4.527 -13.614 7.311 1.00 0.00 N ATOM 0 H LYS A 122 -9.256 -9.094 7.189 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.719 -9.841 9.870 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -8.378 -11.206 7.734 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.938 -10.257 7.421 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.763 -11.090 10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -7.276 -12.501 9.256 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -4.880 -10.736 8.531 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.772 -12.289 9.335 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -6.431 -12.705 7.037 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.080 -11.732 6.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -4.556 -14.094 6.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -3.551 -13.323 7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.859 -14.265 8.051 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.788 -7.492 8.717 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.694 -6.564 9.122 1.00 0.00 C ATOM 1862 C ILE A 123 -6.220 -5.537 10.126 1.00 0.00 C ATOM 1863 O ILE A 123 -5.603 -5.283 11.142 1.00 0.00 O ATOM 1864 CB ILE A 123 -5.151 -5.839 7.887 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -4.092 -6.715 7.213 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -4.519 -4.507 8.303 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.767 -6.153 5.828 1.00 0.00 C ATOM 0 H ILE A 123 -7.271 -7.246 7.853 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.895 -7.141 9.588 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.968 -5.647 7.192 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -3.190 -6.748 7.824 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.455 -7.739 7.125 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.134 -3.995 7.421 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -5.271 -3.883 8.786 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.701 -4.694 8.999 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -3.013 -6.778 5.350 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.670 -6.143 5.218 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.386 -5.137 5.928 1.00 0.00 H new ATOM 1879 N PHE A 124 -7.343 -4.931 9.854 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.874 -3.915 10.798 1.00 0.00 C ATOM 1881 C PHE A 124 -8.238 -4.577 12.123 1.00 0.00 C ATOM 1882 O PHE A 124 -8.706 -3.933 13.041 1.00 0.00 O ATOM 1883 CB PHE A 124 -9.088 -3.225 10.181 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.588 -2.168 9.229 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.939 -2.551 8.053 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.757 -0.811 9.526 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.457 -1.580 7.170 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.276 0.162 8.643 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.626 -0.223 7.464 1.00 0.00 C ATOM 0 H PHE A 124 -7.911 -5.096 9.023 1.00 0.00 H new ATOM 0 HA PHE A 124 -7.110 -3.162 10.991 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.711 -3.948 9.655 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.707 -2.776 10.958 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.809 -3.599 7.825 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.258 -0.515 10.436 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.955 -1.878 6.262 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.406 1.210 8.871 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.255 0.528 6.782 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.992 -5.852 12.248 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.290 -6.534 13.534 1.00 0.00 C ATOM 1901 C GLU A 125 -7.213 -6.119 14.534 1.00 0.00 C ATOM 1902 O GLU A 125 -7.468 -5.942 15.708 1.00 0.00 O ATOM 1903 CB GLU A 125 -8.264 -8.052 13.339 1.00 0.00 C ATOM 1904 CG GLU A 125 -8.527 -8.743 14.678 1.00 0.00 C ATOM 1905 CD GLU A 125 -9.520 -9.889 14.475 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -9.122 -10.903 13.926 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -10.664 -9.733 14.873 1.00 0.00 O ATOM 0 H GLU A 125 -7.600 -6.447 11.518 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.279 -6.254 13.896 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -9.018 -8.349 12.610 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.298 -8.362 12.941 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -7.594 -9.125 15.091 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -8.924 -8.027 15.397 1.00 0.00 H new ATOM 1914 N LYS A 126 -6.010 -5.936 14.059 1.00 0.00 N ATOM 1915 CA LYS A 126 -4.909 -5.499 14.955 1.00 0.00 C ATOM 1916 C LYS A 126 -4.997 -3.981 15.102 1.00 0.00 C ATOM 1917 O LYS A 126 -4.732 -3.429 16.152 1.00 0.00 O ATOM 1918 CB LYS A 126 -3.562 -5.882 14.337 1.00 0.00 C ATOM 1919 CG LYS A 126 -3.239 -7.338 14.677 1.00 0.00 C ATOM 1920 CD LYS A 126 -1.918 -7.736 14.016 1.00 0.00 C ATOM 1921 CE LYS A 126 -1.721 -9.249 14.136 1.00 0.00 C ATOM 1922 NZ LYS A 126 -0.334 -9.534 14.599 1.00 0.00 N ATOM 0 H LYS A 126 -5.745 -6.072 13.084 1.00 0.00 H new ATOM 0 HA LYS A 126 -4.996 -5.980 15.929 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.595 -5.749 13.256 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -2.777 -5.227 14.715 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -3.169 -7.463 15.758 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -4.041 -7.990 14.332 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -1.921 -7.441 12.967 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -1.089 -7.212 14.492 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -2.443 -9.666 14.838 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -1.900 -9.727 13.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.200 -10.562 14.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 0.347 -9.149 13.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -0.180 -9.090 15.527 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.389 -3.303 14.055 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.521 -1.824 14.132 1.00 0.00 C ATOM 1938 C LEU A 127 -6.640 -1.496 15.123 1.00 0.00 C ATOM 1939 O LEU A 127 -6.642 -0.461 15.760 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.859 -1.263 12.739 1.00 0.00 C ATOM 1941 CG LEU A 127 -5.258 0.137 12.580 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -5.554 0.658 11.173 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -5.875 1.086 13.612 1.00 0.00 C ATOM 0 H LEU A 127 -5.623 -3.713 13.151 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.587 -1.373 14.467 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.469 -1.925 11.966 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.940 -1.221 12.607 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.180 0.087 12.735 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -5.128 1.654 11.057 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -5.113 -0.014 10.436 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -6.632 0.705 11.022 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.444 2.080 13.495 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.953 1.137 13.460 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.667 0.716 14.616 1.00 0.00 H new ATOM 1955 N GLY A 128 -7.585 -2.388 15.275 1.00 0.00 N ATOM 1956 CA GLY A 128 -8.696 -2.146 16.240 1.00 0.00 C ATOM 1957 C GLY A 128 -9.649 -1.088 15.687 1.00 0.00 C ATOM 1958 O GLY A 128 -9.583 0.069 16.053 1.00 0.00 O ATOM 0 H GLY A 128 -7.634 -3.274 14.772 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -9.237 -3.074 16.424 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -8.292 -1.818 17.198 1.00 0.00 H new ATOM 1962 N MET A 129 -10.539 -1.475 14.812 1.00 0.00 N ATOM 1963 CA MET A 129 -11.501 -0.492 14.240 1.00 0.00 C ATOM 1964 C MET A 129 -12.861 -1.166 14.042 1.00 0.00 C ATOM 1965 O MET A 129 -13.731 -0.956 14.872 1.00 0.00 O ATOM 1966 CB MET A 129 -10.976 -0.001 12.889 1.00 0.00 C ATOM 1967 CG MET A 129 -10.544 1.467 12.995 1.00 0.00 C ATOM 1968 SD MET A 129 -11.971 2.507 13.408 1.00 0.00 S ATOM 1969 CE MET A 129 -12.931 2.209 11.904 1.00 0.00 C ATOM 1970 OXT MET A 129 -13.009 -1.879 13.063 1.00 0.00 O ATOM 0 H MET A 129 -10.640 -2.430 14.469 1.00 0.00 H new ATOM 0 HA MET A 129 -11.610 0.352 14.921 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.133 -0.615 12.573 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.750 -0.107 12.129 1.00 0.00 H new ATOM 0 HG2 MET A 129 -9.773 1.573 13.758 1.00 0.00 H new ATOM 0 HG3 MET A 129 -10.106 1.794 12.052 1.00 0.00 H new ATOM 0 HE1 MET A 129 -13.371 3.146 11.562 1.00 0.00 H new ATOM 0 HE2 MET A 129 -12.277 1.810 11.128 1.00 0.00 H new ATOM 0 HE3 MET A 129 -13.724 1.491 12.115 1.00 0.00 H new TER 1980 MET A 129