USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 819 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 86 SER OG : rot -127:sc= 0.655 USER MOD Set 1.2: A 90 LYS NZ :NH3+ -119:sc= 0.712 (180deg=-0.0913) USER MOD Set 2.1: A 23 TYR OH : rot 30:sc= 0.907 USER MOD Set 2.2: A 65 SER OG : rot -161:sc= 1.06 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.063) USER MOD Single : A 13 HIS : no HD1:sc= -1.99! C(o=-2!,f=-3!) USER MOD Single : A 14 GLN : amide:sc= -1.73 K(o=-1.7,f=-8.2!) USER MOD Single : A 17 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.21) USER MOD Single : A 19 LYS NZ :NH3+ -173:sc= -0.0052 (180deg=-0.0755) USER MOD Single : A 21 SER OG : rot 180:sc= -0.105 USER MOD Single : A 22 THR OG1 : rot -65:sc= -0.0731 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -167:sc= -1.72 (180deg=-1.82) USER MOD Single : A 32 TYR OH : rot 30:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.27 K(o=-0.27,f=-1.4) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.0751 K(o=-0.075,f=-0.66) USER MOD Single : A 50 SER OG : rot 157:sc= 0.0877 USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= -0.0288 (180deg=-0.197) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.356 F(o=-3.5!,f=-0.36) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.616 K(o=-0.62,f=-4.5!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0753) USER MOD Single : A 74 GLN : amide:sc= -0.377 K(o=-0.38,f=-3.2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.2) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -111:sc= -0.627 (180deg=-2.41!) USER MOD Single : A 96 TYR OH : rot 150:sc= 0.767 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -10.966 -7.089 14.945 1.00 4.34 N ATOM 21 CA ASP A 2 -10.980 -8.515 14.617 1.00 52.02 C ATOM 22 C ASP A 2 -9.633 -8.964 14.041 1.00 33.22 C ATOM 23 O ASP A 2 -8.899 -8.165 13.445 1.00 63.53 O ATOM 24 CB ASP A 2 -12.108 -8.820 13.632 1.00 61.31 C ATOM 25 CG ASP A 2 -13.468 -8.484 14.211 1.00 44.32 C ATOM 26 OD1 ASP A 2 -14.055 -9.348 14.898 1.00 61.14 O ATOM 27 OD2 ASP A 2 -13.950 -7.354 13.995 1.00 64.21 O ATOM 0 HA ASP A 2 -11.154 -9.072 15.538 1.00 52.02 H new ATOM 0 HB2 ASP A 2 -11.953 -8.252 12.715 1.00 61.31 H new ATOM 0 HB3 ASP A 2 -12.079 -9.876 13.362 1.00 61.31 H new ATOM 32 N GLN A 3 -9.312 -10.247 14.207 1.00 50.53 N ATOM 33 CA GLN A 3 -8.035 -10.785 13.735 1.00 1.20 C ATOM 34 C GLN A 3 -7.901 -10.666 12.212 1.00 15.23 C ATOM 35 O GLN A 3 -6.795 -10.694 11.681 1.00 42.41 O ATOM 36 CB GLN A 3 -7.851 -12.243 14.181 1.00 61.53 C ATOM 37 CG GLN A 3 -7.900 -12.426 15.698 1.00 1.32 C ATOM 38 CD GLN A 3 -7.233 -13.709 16.164 1.00 54.14 C ATOM 39 OE1 GLN A 3 -7.856 -14.763 16.252 1.00 5.00 O ATOM 40 NE2 GLN A 3 -5.956 -13.625 16.482 1.00 73.52 N ATOM 0 H GLN A 3 -9.916 -10.931 14.663 1.00 50.53 H new ATOM 0 HA GLN A 3 -7.245 -10.186 14.187 1.00 1.20 H new ATOM 0 HB2 GLN A 3 -8.628 -12.856 13.724 1.00 61.53 H new ATOM 0 HB3 GLN A 3 -6.895 -12.611 13.809 1.00 61.53 H new ATOM 0 HG2 GLN A 3 -7.414 -11.576 16.177 1.00 1.32 H new ATOM 0 HG3 GLN A 3 -8.940 -12.424 16.025 1.00 1.32 H new ATOM 0 HE21 GLN A 3 -5.467 -12.734 16.398 1.00 73.52 H new ATOM 0 HE22 GLN A 3 -5.457 -14.451 16.812 1.00 73.52 H new ATOM 49 N PHE A 4 -9.031 -10.532 11.518 1.00 2.32 N ATOM 50 CA PHE A 4 -9.037 -10.217 10.085 1.00 44.13 C ATOM 51 C PHE A 4 -8.125 -9.012 9.790 1.00 33.23 C ATOM 52 O PHE A 4 -7.271 -9.060 8.898 1.00 20.21 O ATOM 53 CB PHE A 4 -10.479 -9.924 9.627 1.00 44.35 C ATOM 54 CG PHE A 4 -10.605 -9.495 8.182 1.00 31.25 C ATOM 55 CD1 PHE A 4 -10.743 -10.436 7.171 1.00 24.40 C ATOM 56 CD2 PHE A 4 -10.593 -8.148 7.838 1.00 23.23 C ATOM 57 CE1 PHE A 4 -10.864 -10.042 5.851 1.00 43.13 C ATOM 58 CE2 PHE A 4 -10.712 -7.753 6.520 1.00 13.23 C ATOM 59 CZ PHE A 4 -10.849 -8.701 5.526 1.00 65.34 C ATOM 0 H PHE A 4 -9.960 -10.637 11.926 1.00 2.32 H new ATOM 0 HA PHE A 4 -8.653 -11.075 9.533 1.00 44.13 H new ATOM 0 HB2 PHE A 4 -11.084 -10.817 9.781 1.00 44.35 H new ATOM 0 HB3 PHE A 4 -10.896 -9.143 10.262 1.00 44.35 H new ATOM 0 HD1 PHE A 4 -10.756 -11.487 7.418 1.00 24.40 H new ATOM 0 HD2 PHE A 4 -10.489 -7.401 8.611 1.00 23.23 H new ATOM 0 HE1 PHE A 4 -10.970 -10.784 5.074 1.00 43.13 H new ATOM 0 HE2 PHE A 4 -10.698 -6.703 6.267 1.00 13.23 H new ATOM 0 HZ PHE A 4 -10.944 -8.393 4.495 1.00 65.34 H new ATOM 69 N LEU A 5 -8.296 -7.945 10.570 1.00 34.44 N ATOM 70 CA LEU A 5 -7.470 -6.743 10.434 1.00 15.13 C ATOM 71 C LEU A 5 -6.009 -7.034 10.804 1.00 62.14 C ATOM 72 O LEU A 5 -5.083 -6.613 10.114 1.00 31.34 O ATOM 73 CB LEU A 5 -8.020 -5.614 11.317 1.00 12.22 C ATOM 74 CG LEU A 5 -9.494 -5.250 11.084 1.00 61.34 C ATOM 75 CD1 LEU A 5 -9.888 -4.040 11.927 1.00 53.34 C ATOM 76 CD2 LEU A 5 -9.765 -4.992 9.604 1.00 24.11 C ATOM 0 H LEU A 5 -9.001 -7.887 11.305 1.00 34.44 H new ATOM 0 HA LEU A 5 -7.504 -6.428 9.391 1.00 15.13 H new ATOM 0 HB2 LEU A 5 -7.895 -5.900 12.361 1.00 12.22 H new ATOM 0 HB3 LEU A 5 -7.414 -4.722 11.156 1.00 12.22 H new ATOM 0 HG LEU A 5 -10.106 -6.097 11.394 1.00 61.34 H new ATOM 0 HD11 LEU A 5 -10.936 -3.798 11.748 1.00 53.34 H new ATOM 0 HD12 LEU A 5 -9.744 -4.270 12.983 1.00 53.34 H new ATOM 0 HD13 LEU A 5 -9.266 -3.188 11.653 1.00 53.34 H new ATOM 0 HD21 LEU A 5 -10.816 -4.736 9.466 1.00 24.11 H new ATOM 0 HD22 LEU A 5 -9.142 -4.167 9.258 1.00 24.11 H new ATOM 0 HD23 LEU A 5 -9.531 -5.888 9.030 1.00 24.11 H new ATOM 88 N VAL A 6 -5.816 -7.770 11.893 1.00 1.22 N ATOM 89 CA VAL A 6 -4.473 -8.141 12.349 1.00 51.34 C ATOM 90 C VAL A 6 -3.704 -8.918 11.262 1.00 54.53 C ATOM 91 O VAL A 6 -2.520 -8.679 11.030 1.00 22.02 O ATOM 92 CB VAL A 6 -4.542 -8.997 13.639 1.00 60.13 C ATOM 93 CG1 VAL A 6 -3.142 -9.352 14.134 1.00 73.20 C ATOM 94 CG2 VAL A 6 -5.342 -8.278 14.729 1.00 3.20 C ATOM 0 H VAL A 6 -6.571 -8.124 12.480 1.00 1.22 H new ATOM 0 HA VAL A 6 -3.940 -7.214 12.561 1.00 51.34 H new ATOM 0 HB VAL A 6 -5.059 -9.926 13.399 1.00 60.13 H new ATOM 0 HG11 VAL A 6 -3.218 -9.953 15.040 1.00 73.20 H new ATOM 0 HG12 VAL A 6 -2.617 -9.919 13.365 1.00 73.20 H new ATOM 0 HG13 VAL A 6 -2.590 -8.437 14.350 1.00 73.20 H new ATOM 0 HG21 VAL A 6 -5.376 -8.899 15.624 1.00 3.20 H new ATOM 0 HG22 VAL A 6 -4.863 -7.327 14.964 1.00 3.20 H new ATOM 0 HG23 VAL A 6 -6.357 -8.095 14.375 1.00 3.20 H new ATOM 104 N GLN A 7 -4.399 -9.832 10.584 1.00 31.13 N ATOM 105 CA GLN A 7 -3.784 -10.663 9.542 1.00 32.32 C ATOM 106 C GLN A 7 -3.305 -9.829 8.342 1.00 31.15 C ATOM 107 O GLN A 7 -2.166 -9.979 7.891 1.00 22.10 O ATOM 108 CB GLN A 7 -4.773 -11.742 9.075 1.00 24.51 C ATOM 109 CG GLN A 7 -5.148 -12.746 10.161 1.00 71.42 C ATOM 110 CD GLN A 7 -3.972 -13.597 10.610 1.00 64.21 C ATOM 111 OE1 GLN A 7 -3.716 -14.659 10.053 1.00 32.24 O ATOM 112 NE2 GLN A 7 -3.250 -13.143 11.616 1.00 11.22 N ATOM 0 H GLN A 7 -5.390 -10.018 10.736 1.00 31.13 H new ATOM 0 HA GLN A 7 -2.906 -11.138 9.980 1.00 32.32 H new ATOM 0 HB2 GLN A 7 -5.680 -11.258 8.712 1.00 24.51 H new ATOM 0 HB3 GLN A 7 -4.339 -12.279 8.231 1.00 24.51 H new ATOM 0 HG2 GLN A 7 -5.552 -12.210 11.020 1.00 71.42 H new ATOM 0 HG3 GLN A 7 -5.940 -13.396 9.790 1.00 71.42 H new ATOM 0 HE21 GLN A 7 -3.491 -12.255 12.057 1.00 11.22 H new ATOM 0 HE22 GLN A 7 -2.451 -13.680 11.953 1.00 11.22 H new ATOM 121 N ILE A 8 -4.171 -8.955 7.824 1.00 32.55 N ATOM 122 CA ILE A 8 -3.807 -8.109 6.680 1.00 33.24 C ATOM 123 C ILE A 8 -2.679 -7.124 7.042 1.00 4.22 C ATOM 124 O ILE A 8 -1.735 -6.936 6.269 1.00 25.12 O ATOM 125 CB ILE A 8 -5.031 -7.336 6.117 1.00 23.10 C ATOM 126 CG1 ILE A 8 -5.642 -6.406 7.181 1.00 54.14 C ATOM 127 CG2 ILE A 8 -6.081 -8.318 5.595 1.00 31.23 C ATOM 128 CD1 ILE A 8 -6.840 -5.614 6.696 1.00 0.34 C ATOM 0 H ILE A 8 -5.119 -8.814 8.172 1.00 32.55 H new ATOM 0 HA ILE A 8 -3.444 -8.780 5.901 1.00 33.24 H new ATOM 0 HB ILE A 8 -4.688 -6.714 5.290 1.00 23.10 H new ATOM 0 HG12 ILE A 8 -5.940 -7.004 8.043 1.00 54.14 H new ATOM 0 HG13 ILE A 8 -4.875 -5.711 7.524 1.00 54.14 H new ATOM 0 HG21 ILE A 8 -6.934 -7.764 5.203 1.00 31.23 H new ATOM 0 HG22 ILE A 8 -5.647 -8.926 4.801 1.00 31.23 H new ATOM 0 HG23 ILE A 8 -6.411 -8.964 6.408 1.00 31.23 H new ATOM 0 HD11 ILE A 8 -7.211 -4.984 7.504 1.00 0.34 H new ATOM 0 HD12 ILE A 8 -6.545 -4.988 5.854 1.00 0.34 H new ATOM 0 HD13 ILE A 8 -7.626 -6.300 6.380 1.00 0.34 H new ATOM 140 N PHE A 9 -2.767 -6.514 8.226 1.00 22.50 N ATOM 141 CA PHE A 9 -1.719 -5.606 8.702 1.00 44.24 C ATOM 142 C PHE A 9 -0.385 -6.349 8.868 1.00 2.21 C ATOM 143 O PHE A 9 0.682 -5.816 8.554 1.00 2.40 O ATOM 144 CB PHE A 9 -2.127 -4.945 10.028 1.00 71.24 C ATOM 145 CG PHE A 9 -3.341 -4.049 9.930 1.00 62.24 C ATOM 146 CD1 PHE A 9 -3.674 -3.422 8.734 1.00 43.33 C ATOM 147 CD2 PHE A 9 -4.140 -3.824 11.040 1.00 32.01 C ATOM 148 CE1 PHE A 9 -4.776 -2.596 8.654 1.00 63.30 C ATOM 149 CE2 PHE A 9 -5.245 -2.999 10.963 1.00 41.21 C ATOM 150 CZ PHE A 9 -5.563 -2.384 9.769 1.00 42.40 C ATOM 0 H PHE A 9 -3.549 -6.631 8.871 1.00 22.50 H new ATOM 0 HA PHE A 9 -1.589 -4.825 7.952 1.00 44.24 H new ATOM 0 HB2 PHE A 9 -2.324 -5.725 10.763 1.00 71.24 H new ATOM 0 HB3 PHE A 9 -1.287 -4.359 10.402 1.00 71.24 H new ATOM 0 HD1 PHE A 9 -3.063 -3.584 7.858 1.00 43.33 H new ATOM 0 HD2 PHE A 9 -3.895 -4.300 11.978 1.00 32.01 H new ATOM 0 HE1 PHE A 9 -5.023 -2.115 7.719 1.00 63.30 H new ATOM 0 HE2 PHE A 9 -5.859 -2.835 11.836 1.00 41.21 H new ATOM 0 HZ PHE A 9 -6.426 -1.738 9.707 1.00 42.40 H new ATOM 160 N ALA A 10 -0.454 -7.588 9.352 1.00 21.35 N ATOM 161 CA ALA A 10 0.732 -8.434 9.490 1.00 34.44 C ATOM 162 C ALA A 10 1.489 -8.553 8.157 1.00 14.31 C ATOM 163 O ALA A 10 2.709 -8.386 8.108 1.00 34.14 O ATOM 164 CB ALA A 10 0.343 -9.814 10.008 1.00 11.23 C ATOM 0 H ALA A 10 -1.321 -8.030 9.656 1.00 21.35 H new ATOM 0 HA ALA A 10 1.399 -7.964 10.213 1.00 34.44 H new ATOM 0 HB1 ALA A 10 1.236 -10.431 10.105 1.00 11.23 H new ATOM 0 HB2 ALA A 10 -0.137 -9.715 10.981 1.00 11.23 H new ATOM 0 HB3 ALA A 10 -0.348 -10.284 9.308 1.00 11.23 H new ATOM 170 N VAL A 11 0.752 -8.821 7.077 1.00 63.51 N ATOM 171 CA VAL A 11 1.340 -8.912 5.732 1.00 52.22 C ATOM 172 C VAL A 11 2.054 -7.605 5.346 1.00 33.24 C ATOM 173 O VAL A 11 3.146 -7.620 4.774 1.00 45.33 O ATOM 174 CB VAL A 11 0.259 -9.226 4.665 1.00 33.04 C ATOM 175 CG1 VAL A 11 0.891 -9.446 3.294 1.00 33.35 C ATOM 176 CG2 VAL A 11 -0.578 -10.435 5.078 1.00 24.31 C ATOM 0 H VAL A 11 -0.255 -8.980 7.104 1.00 63.51 H new ATOM 0 HA VAL A 11 2.066 -9.725 5.760 1.00 52.22 H new ATOM 0 HB VAL A 11 -0.404 -8.363 4.595 1.00 33.04 H new ATOM 0 HG11 VAL A 11 0.111 -9.664 2.565 1.00 33.35 H new ATOM 0 HG12 VAL A 11 1.428 -8.547 2.993 1.00 33.35 H new ATOM 0 HG13 VAL A 11 1.586 -10.284 3.344 1.00 33.35 H new ATOM 0 HG21 VAL A 11 -1.329 -10.636 4.314 1.00 24.31 H new ATOM 0 HG22 VAL A 11 0.069 -11.305 5.188 1.00 24.31 H new ATOM 0 HG23 VAL A 11 -1.072 -10.228 6.027 1.00 24.31 H new ATOM 186 N ILE A 12 1.431 -6.477 5.677 1.00 2.30 N ATOM 187 CA ILE A 12 1.988 -5.157 5.353 1.00 44.12 C ATOM 188 C ILE A 12 3.353 -4.909 6.037 1.00 32.11 C ATOM 189 O ILE A 12 4.237 -4.270 5.458 1.00 2.22 O ATOM 190 CB ILE A 12 1.001 -4.027 5.737 1.00 63.01 C ATOM 191 CG1 ILE A 12 -0.364 -4.257 5.065 1.00 53.44 C ATOM 192 CG2 ILE A 12 1.570 -2.663 5.344 1.00 22.31 C ATOM 193 CD1 ILE A 12 -1.423 -3.246 5.457 1.00 70.12 C ATOM 0 H ILE A 12 0.539 -6.446 6.170 1.00 2.30 H new ATOM 0 HA ILE A 12 2.147 -5.147 4.275 1.00 44.12 H new ATOM 0 HB ILE A 12 0.861 -4.042 6.818 1.00 63.01 H new ATOM 0 HG12 ILE A 12 -0.234 -4.230 3.983 1.00 53.44 H new ATOM 0 HG13 ILE A 12 -0.719 -5.256 5.319 1.00 53.44 H new ATOM 0 HG21 ILE A 12 0.864 -1.881 5.621 1.00 22.31 H new ATOM 0 HG22 ILE A 12 2.514 -2.500 5.863 1.00 22.31 H new ATOM 0 HG23 ILE A 12 1.738 -2.635 4.267 1.00 22.31 H new ATOM 0 HD11 ILE A 12 -2.355 -3.477 4.941 1.00 70.12 H new ATOM 0 HD12 ILE A 12 -1.584 -3.287 6.534 1.00 70.12 H new ATOM 0 HD13 ILE A 12 -1.092 -2.246 5.178 1.00 70.12 H new ATOM 205 N HIS A 13 3.525 -5.412 7.261 1.00 1.15 N ATOM 206 CA HIS A 13 4.810 -5.276 7.974 1.00 14.15 C ATOM 207 C HIS A 13 5.947 -6.031 7.257 1.00 11.40 C ATOM 208 O HIS A 13 7.121 -5.666 7.377 1.00 42.40 O ATOM 209 CB HIS A 13 4.694 -5.790 9.419 1.00 5.33 C ATOM 210 CG HIS A 13 3.870 -4.922 10.331 1.00 62.50 C ATOM 211 ND1 HIS A 13 4.371 -3.749 10.848 1.00 42.42 N ATOM 212 CD2 HIS A 13 2.610 -5.107 10.803 1.00 41.51 C ATOM 213 CE1 HIS A 13 3.414 -3.254 11.617 1.00 55.13 C ATOM 214 NE2 HIS A 13 2.332 -4.041 11.620 1.00 52.14 N ATOM 0 H HIS A 13 2.804 -5.913 7.780 1.00 1.15 H new ATOM 0 HA HIS A 13 5.052 -4.213 7.984 1.00 14.15 H new ATOM 0 HB2 HIS A 13 4.260 -6.790 9.401 1.00 5.33 H new ATOM 0 HB3 HIS A 13 5.696 -5.885 9.838 1.00 5.33 H new ATOM 0 HD2 HIS A 13 1.953 -5.934 10.578 1.00 41.51 H new ATOM 0 HE1 HIS A 13 3.496 -2.331 12.172 1.00 55.13 H new ATOM 0 HE2 HIS A 13 1.465 -3.879 12.132 1.00 52.14 H new ATOM 222 N GLN A 14 5.592 -7.084 6.520 1.00 65.04 N ATOM 223 CA GLN A 14 6.572 -7.928 5.820 1.00 73.44 C ATOM 224 C GLN A 14 7.213 -7.210 4.614 1.00 64.44 C ATOM 225 O GLN A 14 8.320 -7.561 4.194 1.00 64.33 O ATOM 226 CB GLN A 14 5.894 -9.235 5.358 1.00 74.21 C ATOM 227 CG GLN A 14 5.918 -10.391 6.371 1.00 51.43 C ATOM 228 CD GLN A 14 5.272 -10.085 7.722 1.00 24.11 C ATOM 229 OE1 GLN A 14 5.345 -8.980 8.244 1.00 70.11 O ATOM 230 NE2 GLN A 14 4.615 -11.070 8.295 1.00 20.30 N ATOM 0 H GLN A 14 4.624 -7.378 6.389 1.00 65.04 H new ATOM 0 HA GLN A 14 7.374 -8.151 6.523 1.00 73.44 H new ATOM 0 HB2 GLN A 14 4.856 -9.016 5.109 1.00 74.21 H new ATOM 0 HB3 GLN A 14 6.378 -9.570 4.441 1.00 74.21 H new ATOM 0 HG2 GLN A 14 5.412 -11.250 5.930 1.00 51.43 H new ATOM 0 HG3 GLN A 14 6.954 -10.684 6.540 1.00 51.43 H new ATOM 0 HE21 GLN A 14 4.567 -11.983 7.842 1.00 20.30 H new ATOM 0 HE22 GLN A 14 4.153 -10.921 9.192 1.00 20.30 H new ATOM 239 N ILE A 15 6.521 -6.211 4.063 1.00 34.23 N ATOM 240 CA ILE A 15 7.024 -5.478 2.888 1.00 55.51 C ATOM 241 C ILE A 15 8.379 -4.802 3.189 1.00 53.31 C ATOM 242 O ILE A 15 8.504 -4.067 4.172 1.00 1.01 O ATOM 243 CB ILE A 15 6.018 -4.395 2.408 1.00 14.10 C ATOM 244 CG1 ILE A 15 4.600 -4.976 2.338 1.00 74.35 C ATOM 245 CG2 ILE A 15 6.442 -3.844 1.045 1.00 4.35 C ATOM 246 CD1 ILE A 15 3.547 -3.991 1.877 1.00 74.12 C ATOM 0 H ILE A 15 5.616 -5.889 4.405 1.00 34.23 H new ATOM 0 HA ILE A 15 7.153 -6.216 2.096 1.00 55.51 H new ATOM 0 HB ILE A 15 6.018 -3.576 3.127 1.00 14.10 H new ATOM 0 HG12 ILE A 15 4.603 -5.831 1.661 1.00 74.35 H new ATOM 0 HG13 ILE A 15 4.324 -5.351 3.324 1.00 74.35 H new ATOM 0 HG21 ILE A 15 5.728 -3.086 0.721 1.00 4.35 H new ATOM 0 HG22 ILE A 15 7.433 -3.398 1.125 1.00 4.35 H new ATOM 0 HG23 ILE A 15 6.467 -4.654 0.317 1.00 4.35 H new ATOM 0 HD11 ILE A 15 2.574 -4.482 1.856 1.00 74.12 H new ATOM 0 HD12 ILE A 15 3.512 -3.147 2.565 1.00 74.12 H new ATOM 0 HD13 ILE A 15 3.795 -3.634 0.877 1.00 74.12 H new ATOM 258 N PRO A 16 9.418 -5.055 2.365 1.00 14.05 N ATOM 259 CA PRO A 16 10.743 -4.440 2.557 1.00 55.24 C ATOM 260 C PRO A 16 10.754 -2.928 2.263 1.00 5.52 C ATOM 261 O PRO A 16 9.933 -2.418 1.495 1.00 24.40 O ATOM 262 CB PRO A 16 11.634 -5.200 1.565 1.00 22.52 C ATOM 263 CG PRO A 16 10.698 -5.667 0.503 1.00 5.15 C ATOM 264 CD PRO A 16 9.400 -5.967 1.205 1.00 62.01 C ATOM 0 HA PRO A 16 11.076 -4.514 3.592 1.00 55.24 H new ATOM 0 HB2 PRO A 16 12.410 -4.555 1.154 1.00 22.52 H new ATOM 0 HB3 PRO A 16 12.138 -6.038 2.046 1.00 22.52 H new ATOM 0 HG2 PRO A 16 10.562 -4.903 -0.262 1.00 5.15 H new ATOM 0 HG3 PRO A 16 11.086 -6.554 0.002 1.00 5.15 H new ATOM 0 HD2 PRO A 16 8.542 -5.779 0.560 1.00 62.01 H new ATOM 0 HD3 PRO A 16 9.343 -7.010 1.515 1.00 62.01 H new ATOM 272 N LYS A 17 11.700 -2.221 2.873 1.00 52.21 N ATOM 273 CA LYS A 17 11.801 -0.765 2.735 1.00 70.41 C ATOM 274 C LYS A 17 12.042 -0.355 1.268 1.00 32.34 C ATOM 275 O LYS A 17 13.103 -0.636 0.701 1.00 14.42 O ATOM 276 CB LYS A 17 12.942 -0.250 3.628 1.00 35.04 C ATOM 277 CG LYS A 17 12.865 1.235 3.954 1.00 0.22 C ATOM 278 CD LYS A 17 11.658 1.554 4.831 1.00 63.14 C ATOM 279 CE LYS A 17 11.615 3.024 5.235 1.00 73.01 C ATOM 280 NZ LYS A 17 10.393 3.346 6.019 1.00 45.12 N ATOM 0 H LYS A 17 12.415 -2.633 3.473 1.00 52.21 H new ATOM 0 HA LYS A 17 10.858 -0.319 3.049 1.00 70.41 H new ATOM 0 HB2 LYS A 17 12.940 -0.815 4.560 1.00 35.04 H new ATOM 0 HB3 LYS A 17 13.893 -0.452 3.135 1.00 35.04 H new ATOM 0 HG2 LYS A 17 13.778 1.544 4.463 1.00 0.22 H new ATOM 0 HG3 LYS A 17 12.806 1.809 3.029 1.00 0.22 H new ATOM 0 HD2 LYS A 17 10.744 1.299 4.295 1.00 63.14 H new ATOM 0 HD3 LYS A 17 11.687 0.933 5.726 1.00 63.14 H new ATOM 0 HE2 LYS A 17 12.499 3.265 5.825 1.00 73.01 H new ATOM 0 HE3 LYS A 17 11.648 3.648 4.342 1.00 73.01 H new ATOM 0 HZ1 LYS A 17 10.366 4.367 6.217 1.00 45.12 H new ATOM 0 HZ2 LYS A 17 9.550 3.077 5.473 1.00 45.12 H new ATOM 0 HZ3 LYS A 17 10.407 2.820 6.916 1.00 45.12 H new ATOM 294 N GLY A 18 11.053 0.295 0.650 1.00 44.52 N ATOM 295 CA GLY A 18 11.200 0.747 -0.735 1.00 11.42 C ATOM 296 C GLY A 18 10.359 -0.040 -1.743 1.00 51.11 C ATOM 297 O GLY A 18 10.509 0.140 -2.955 1.00 0.22 O ATOM 0 H GLY A 18 10.155 0.518 1.079 1.00 44.52 H new ATOM 0 HA2 GLY A 18 10.925 1.800 -0.793 1.00 11.42 H new ATOM 0 HA3 GLY A 18 12.250 0.675 -1.020 1.00 11.42 H new ATOM 301 N LYS A 19 9.485 -0.921 -1.254 1.00 13.03 N ATOM 302 CA LYS A 19 8.573 -1.681 -2.124 1.00 23.13 C ATOM 303 C LYS A 19 7.100 -1.406 -1.778 1.00 70.55 C ATOM 304 O LYS A 19 6.766 -1.075 -0.640 1.00 15.42 O ATOM 305 CB LYS A 19 8.857 -3.188 -2.016 1.00 63.14 C ATOM 306 CG LYS A 19 10.202 -3.619 -2.600 1.00 51.41 C ATOM 307 CD LYS A 19 10.304 -3.288 -4.088 1.00 24.21 C ATOM 308 CE LYS A 19 11.580 -3.842 -4.714 1.00 33.40 C ATOM 309 NZ LYS A 19 12.801 -3.300 -4.062 1.00 1.11 N ATOM 0 H LYS A 19 9.386 -1.129 -0.260 1.00 13.03 H new ATOM 0 HA LYS A 19 8.750 -1.352 -3.148 1.00 23.13 H new ATOM 0 HB2 LYS A 19 8.821 -3.478 -0.966 1.00 63.14 H new ATOM 0 HB3 LYS A 19 8.062 -3.733 -2.525 1.00 63.14 H new ATOM 0 HG2 LYS A 19 11.009 -3.123 -2.061 1.00 51.41 H new ATOM 0 HG3 LYS A 19 10.335 -4.691 -2.456 1.00 51.41 H new ATOM 0 HD2 LYS A 19 9.438 -3.696 -4.610 1.00 24.21 H new ATOM 0 HD3 LYS A 19 10.276 -2.207 -4.221 1.00 24.21 H new ATOM 0 HE2 LYS A 19 11.580 -4.929 -4.636 1.00 33.40 H new ATOM 0 HE3 LYS A 19 11.598 -3.599 -5.776 1.00 33.40 H new ATOM 0 HZ1 LYS A 19 13.642 -3.607 -4.591 1.00 1.11 H new ATOM 0 HZ2 LYS A 19 12.758 -2.261 -4.053 1.00 1.11 H new ATOM 0 HZ3 LYS A 19 12.858 -3.652 -3.085 1.00 1.11 H new ATOM 323 N VAL A 20 6.221 -1.557 -2.769 1.00 40.34 N ATOM 324 CA VAL A 20 4.777 -1.366 -2.574 1.00 70.31 C ATOM 325 C VAL A 20 3.995 -2.638 -2.941 1.00 54.24 C ATOM 326 O VAL A 20 4.555 -3.592 -3.482 1.00 2.13 O ATOM 327 CB VAL A 20 4.235 -0.180 -3.416 1.00 50.15 C ATOM 328 CG1 VAL A 20 4.886 1.133 -2.988 1.00 22.40 C ATOM 329 CG2 VAL A 20 4.446 -0.430 -4.908 1.00 53.02 C ATOM 0 H VAL A 20 6.482 -1.812 -3.721 1.00 40.34 H new ATOM 0 HA VAL A 20 4.633 -1.143 -1.517 1.00 70.31 H new ATOM 0 HB VAL A 20 3.163 -0.101 -3.235 1.00 50.15 H new ATOM 0 HG11 VAL A 20 4.490 1.949 -3.592 1.00 22.40 H new ATOM 0 HG12 VAL A 20 4.668 1.321 -1.937 1.00 22.40 H new ATOM 0 HG13 VAL A 20 5.965 1.067 -3.129 1.00 22.40 H new ATOM 0 HG21 VAL A 20 4.058 0.415 -5.477 1.00 53.02 H new ATOM 0 HG22 VAL A 20 5.511 -0.546 -5.111 1.00 53.02 H new ATOM 0 HG23 VAL A 20 3.920 -1.338 -5.203 1.00 53.02 H new ATOM 339 N SER A 21 2.696 -2.642 -2.648 1.00 33.21 N ATOM 340 CA SER A 21 1.832 -3.795 -2.955 1.00 62.33 C ATOM 341 C SER A 21 0.386 -3.350 -3.209 1.00 64.40 C ATOM 342 O SER A 21 0.060 -2.167 -3.098 1.00 14.02 O ATOM 343 CB SER A 21 1.867 -4.819 -1.810 1.00 54.41 C ATOM 344 OG SER A 21 1.071 -5.959 -2.106 1.00 70.14 O ATOM 0 H SER A 21 2.213 -1.864 -2.199 1.00 33.21 H new ATOM 0 HA SER A 21 2.216 -4.263 -3.862 1.00 62.33 H new ATOM 0 HB2 SER A 21 2.896 -5.129 -1.630 1.00 54.41 H new ATOM 0 HB3 SER A 21 1.509 -4.352 -0.892 1.00 54.41 H new ATOM 0 HG SER A 21 1.116 -6.592 -1.359 1.00 70.14 H new ATOM 350 N THR A 22 -0.483 -4.299 -3.546 1.00 40.33 N ATOM 351 CA THR A 22 -1.886 -3.996 -3.857 1.00 53.41 C ATOM 352 C THR A 22 -2.849 -4.662 -2.866 1.00 61.00 C ATOM 353 O THR A 22 -2.508 -5.658 -2.222 1.00 71.01 O ATOM 354 CB THR A 22 -2.256 -4.440 -5.292 1.00 3.41 C ATOM 355 OG1 THR A 22 -2.039 -5.851 -5.447 1.00 64.21 O ATOM 356 CG2 THR A 22 -1.431 -3.680 -6.328 1.00 61.41 C ATOM 0 H THR A 22 -0.244 -5.288 -3.612 1.00 40.33 H new ATOM 0 HA THR A 22 -1.989 -2.914 -3.776 1.00 53.41 H new ATOM 0 HB THR A 22 -3.311 -4.216 -5.452 1.00 3.41 H new ATOM 0 HG1 THR A 22 -1.083 -6.047 -5.355 1.00 64.21 H new ATOM 0 HG21 THR A 22 -1.710 -4.010 -7.329 1.00 61.41 H new ATOM 0 HG22 THR A 22 -1.622 -2.611 -6.232 1.00 61.41 H new ATOM 0 HG23 THR A 22 -0.371 -3.875 -6.164 1.00 61.41 H new ATOM 364 N TYR A 23 -4.059 -4.101 -2.756 1.00 40.23 N ATOM 365 CA TYR A 23 -5.090 -4.611 -1.831 1.00 34.24 C ATOM 366 C TYR A 23 -5.316 -6.128 -1.982 1.00 71.31 C ATOM 367 O TYR A 23 -5.419 -6.852 -0.989 1.00 54.10 O ATOM 368 CB TYR A 23 -6.415 -3.865 -2.049 1.00 1.41 C ATOM 369 CG TYR A 23 -6.357 -2.388 -1.704 1.00 74.42 C ATOM 370 CD1 TYR A 23 -6.597 -1.950 -0.406 1.00 2.33 C ATOM 371 CD2 TYR A 23 -6.060 -1.433 -2.672 1.00 44.02 C ATOM 372 CE1 TYR A 23 -6.542 -0.608 -0.084 1.00 53.24 C ATOM 373 CE2 TYR A 23 -6.000 -0.091 -2.355 1.00 30.40 C ATOM 374 CZ TYR A 23 -6.243 0.317 -1.061 1.00 70.11 C ATOM 375 OH TYR A 23 -6.178 1.654 -0.743 1.00 63.31 O ATOM 0 H TYR A 23 -4.354 -3.289 -3.298 1.00 40.23 H new ATOM 0 HA TYR A 23 -4.727 -4.432 -0.819 1.00 34.24 H new ATOM 0 HB2 TYR A 23 -6.713 -3.972 -3.092 1.00 1.41 H new ATOM 0 HB3 TYR A 23 -7.190 -4.338 -1.446 1.00 1.41 H new ATOM 0 HD1 TYR A 23 -6.830 -2.671 0.363 1.00 2.33 H new ATOM 0 HD2 TYR A 23 -5.873 -1.747 -3.688 1.00 44.02 H new ATOM 0 HE1 TYR A 23 -6.732 -0.285 0.929 1.00 53.24 H new ATOM 0 HE2 TYR A 23 -5.764 0.636 -3.118 1.00 30.40 H new ATOM 0 HH TYR A 23 -5.892 1.755 0.189 1.00 63.31 H new ATOM 385 N GLY A 24 -5.390 -6.598 -3.227 1.00 41.33 N ATOM 386 CA GLY A 24 -5.590 -8.020 -3.488 1.00 41.30 C ATOM 387 C GLY A 24 -4.480 -8.900 -2.914 1.00 62.55 C ATOM 388 O GLY A 24 -4.754 -9.896 -2.243 1.00 51.11 O ATOM 0 H GLY A 24 -5.315 -6.019 -4.063 1.00 41.33 H new ATOM 0 HA2 GLY A 24 -6.546 -8.329 -3.065 1.00 41.30 H new ATOM 0 HA3 GLY A 24 -5.651 -8.180 -4.564 1.00 41.30 H new ATOM 392 N GLU A 25 -3.227 -8.521 -3.167 1.00 23.43 N ATOM 393 CA GLU A 25 -2.067 -9.284 -2.684 1.00 15.15 C ATOM 394 C GLU A 25 -2.068 -9.398 -1.152 1.00 65.33 C ATOM 395 O GLU A 25 -1.955 -10.497 -0.602 1.00 15.41 O ATOM 396 CB GLU A 25 -0.768 -8.623 -3.160 1.00 21.33 C ATOM 397 CG GLU A 25 -0.626 -8.567 -4.677 1.00 24.11 C ATOM 398 CD GLU A 25 0.618 -7.819 -5.127 1.00 20.12 C ATOM 399 OE1 GLU A 25 0.706 -6.598 -4.868 1.00 24.23 O ATOM 400 OE2 GLU A 25 1.507 -8.443 -5.742 1.00 13.33 O ATOM 0 H GLU A 25 -2.985 -7.689 -3.705 1.00 23.43 H new ATOM 0 HA GLU A 25 -2.133 -10.291 -3.096 1.00 15.15 H new ATOM 0 HB2 GLU A 25 -0.720 -7.609 -2.762 1.00 21.33 H new ATOM 0 HB3 GLU A 25 0.080 -9.168 -2.745 1.00 21.33 H new ATOM 0 HG2 GLU A 25 -0.596 -9.583 -5.072 1.00 24.11 H new ATOM 0 HG3 GLU A 25 -1.507 -8.086 -5.102 1.00 24.11 H new ATOM 407 N ILE A 26 -2.197 -8.259 -0.470 1.00 72.32 N ATOM 408 CA ILE A 26 -2.251 -8.231 0.997 1.00 4.14 C ATOM 409 C ILE A 26 -3.291 -9.231 1.534 1.00 72.23 C ATOM 410 O ILE A 26 -3.017 -10.000 2.460 1.00 1.43 O ATOM 411 CB ILE A 26 -2.586 -6.808 1.519 1.00 61.42 C ATOM 412 CG1 ILE A 26 -1.539 -5.788 1.026 1.00 65.03 C ATOM 413 CG2 ILE A 26 -2.679 -6.793 3.046 1.00 54.42 C ATOM 414 CD1 ILE A 26 -0.122 -6.078 1.492 1.00 11.03 C ATOM 0 H ILE A 26 -2.266 -7.341 -0.909 1.00 72.32 H new ATOM 0 HA ILE A 26 -1.264 -8.518 1.360 1.00 4.14 H new ATOM 0 HB ILE A 26 -3.559 -6.521 1.120 1.00 61.42 H new ATOM 0 HG12 ILE A 26 -1.554 -5.766 -0.064 1.00 65.03 H new ATOM 0 HG13 ILE A 26 -1.826 -4.794 1.369 1.00 65.03 H new ATOM 0 HG21 ILE A 26 -2.915 -5.785 3.386 1.00 54.42 H new ATOM 0 HG22 ILE A 26 -3.463 -7.478 3.370 1.00 54.42 H new ATOM 0 HG23 ILE A 26 -1.726 -7.106 3.472 1.00 54.42 H new ATOM 0 HD11 ILE A 26 0.552 -5.315 1.103 1.00 11.03 H new ATOM 0 HD12 ILE A 26 -0.088 -6.070 2.581 1.00 11.03 H new ATOM 0 HD13 ILE A 26 0.188 -7.057 1.127 1.00 11.03 H new ATOM 426 N ALA A 27 -4.474 -9.229 0.922 1.00 60.22 N ATOM 427 CA ALA A 27 -5.551 -10.150 1.296 1.00 0.43 C ATOM 428 C ALA A 27 -5.175 -11.620 1.018 1.00 34.14 C ATOM 429 O ALA A 27 -5.507 -12.516 1.799 1.00 65.20 O ATOM 430 CB ALA A 27 -6.828 -9.775 0.553 1.00 12.11 C ATOM 0 H ALA A 27 -4.714 -8.596 0.159 1.00 60.22 H new ATOM 0 HA ALA A 27 -5.715 -10.059 2.370 1.00 0.43 H new ATOM 0 HB1 ALA A 27 -7.627 -10.462 0.833 1.00 12.11 H new ATOM 0 HB2 ALA A 27 -7.116 -8.757 0.815 1.00 12.11 H new ATOM 0 HB3 ALA A 27 -6.656 -9.838 -0.521 1.00 12.11 H new ATOM 436 N LYS A 28 -4.472 -11.859 -0.092 1.00 63.52 N ATOM 437 CA LYS A 28 -4.053 -13.219 -0.474 1.00 40.32 C ATOM 438 C LYS A 28 -3.149 -13.860 0.591 1.00 31.15 C ATOM 439 O LYS A 28 -3.426 -14.963 1.064 1.00 45.12 O ATOM 440 CB LYS A 28 -3.341 -13.206 -1.834 1.00 72.14 C ATOM 441 CG LYS A 28 -4.267 -12.889 -3.006 1.00 22.55 C ATOM 442 CD LYS A 28 -3.519 -12.892 -4.336 1.00 63.25 C ATOM 443 CE LYS A 28 -4.453 -12.622 -5.510 1.00 33.42 C ATOM 444 NZ LYS A 28 -3.737 -12.668 -6.814 1.00 30.22 N ATOM 0 H LYS A 28 -4.179 -11.132 -0.745 1.00 63.52 H new ATOM 0 HA LYS A 28 -4.956 -13.824 -0.552 1.00 40.32 H new ATOM 0 HB2 LYS A 28 -2.538 -12.470 -1.807 1.00 72.14 H new ATOM 0 HB3 LYS A 28 -2.877 -14.178 -2.001 1.00 72.14 H new ATOM 0 HG2 LYS A 28 -5.073 -13.622 -3.041 1.00 22.55 H new ATOM 0 HG3 LYS A 28 -4.729 -11.914 -2.851 1.00 22.55 H new ATOM 0 HD2 LYS A 28 -2.735 -12.135 -4.314 1.00 63.25 H new ATOM 0 HD3 LYS A 28 -3.029 -13.855 -4.475 1.00 63.25 H new ATOM 0 HE2 LYS A 28 -5.256 -13.359 -5.511 1.00 33.42 H new ATOM 0 HE3 LYS A 28 -4.918 -11.644 -5.386 1.00 33.42 H new ATOM 0 HZ1 LYS A 28 -4.408 -12.479 -7.586 1.00 30.22 H new ATOM 0 HZ2 LYS A 28 -2.987 -11.948 -6.824 1.00 30.22 H new ATOM 0 HZ3 LYS A 28 -3.315 -13.609 -6.945 1.00 30.22 H new ATOM 458 N MET A 29 -2.064 -13.178 0.967 1.00 43.21 N ATOM 459 CA MET A 29 -1.181 -13.687 2.028 1.00 14.32 C ATOM 460 C MET A 29 -1.905 -13.750 3.384 1.00 3.45 C ATOM 461 O MET A 29 -1.664 -14.660 4.181 1.00 12.21 O ATOM 462 CB MET A 29 0.102 -12.846 2.151 1.00 62.02 C ATOM 463 CG MET A 29 1.174 -13.205 1.126 1.00 54.33 C ATOM 464 SD MET A 29 0.730 -12.742 -0.560 1.00 53.41 S ATOM 465 CE MET A 29 0.983 -10.970 -0.490 1.00 72.00 C ATOM 0 H MET A 29 -1.776 -12.287 0.563 1.00 43.21 H new ATOM 0 HA MET A 29 -0.899 -14.700 1.742 1.00 14.32 H new ATOM 0 HB2 MET A 29 -0.154 -11.792 2.042 1.00 62.02 H new ATOM 0 HB3 MET A 29 0.513 -12.972 3.153 1.00 62.02 H new ATOM 0 HG2 MET A 29 2.107 -12.711 1.398 1.00 54.33 H new ATOM 0 HG3 MET A 29 1.359 -14.279 1.164 1.00 54.33 H new ATOM 0 HE1 MET A 29 0.538 -10.504 -1.369 1.00 72.00 H new ATOM 0 HE2 MET A 29 0.514 -10.571 0.409 1.00 72.00 H new ATOM 0 HE3 MET A 29 2.051 -10.756 -0.468 1.00 72.00 H new ATOM 475 N ALA A 30 -2.796 -12.791 3.634 1.00 24.55 N ATOM 476 CA ALA A 30 -3.586 -12.771 4.872 1.00 53.00 C ATOM 477 C ALA A 30 -4.554 -13.963 4.955 1.00 20.42 C ATOM 478 O ALA A 30 -4.985 -14.350 6.042 1.00 31.53 O ATOM 479 CB ALA A 30 -4.357 -11.461 4.977 1.00 54.31 C ATOM 0 H ALA A 30 -2.991 -12.017 2.999 1.00 24.55 H new ATOM 0 HA ALA A 30 -2.892 -12.853 5.708 1.00 53.00 H new ATOM 0 HB1 ALA A 30 -4.940 -11.455 5.898 1.00 54.31 H new ATOM 0 HB2 ALA A 30 -3.656 -10.626 4.985 1.00 54.31 H new ATOM 0 HB3 ALA A 30 -5.027 -11.364 4.123 1.00 54.31 H new ATOM 485 N GLY A 31 -4.891 -14.538 3.800 1.00 23.31 N ATOM 486 CA GLY A 31 -5.787 -15.692 3.758 1.00 63.21 C ATOM 487 C GLY A 31 -7.253 -15.318 3.562 1.00 11.41 C ATOM 488 O GLY A 31 -8.146 -16.120 3.848 1.00 34.00 O ATOM 0 H GLY A 31 -4.559 -14.226 2.887 1.00 23.31 H new ATOM 0 HA2 GLY A 31 -5.478 -16.353 2.948 1.00 63.21 H new ATOM 0 HA3 GLY A 31 -5.685 -16.255 4.686 1.00 63.21 H new ATOM 492 N TYR A 32 -7.507 -14.104 3.068 1.00 72.04 N ATOM 493 CA TYR A 32 -8.879 -13.630 2.824 1.00 22.54 C ATOM 494 C TYR A 32 -8.987 -12.914 1.459 1.00 4.22 C ATOM 495 O TYR A 32 -9.181 -11.698 1.398 1.00 42.42 O ATOM 496 CB TYR A 32 -9.326 -12.673 3.946 1.00 54.44 C ATOM 497 CG TYR A 32 -9.103 -13.206 5.354 1.00 0.23 C ATOM 498 CD1 TYR A 32 -9.941 -14.175 5.900 1.00 62.23 C ATOM 499 CD2 TYR A 32 -8.053 -12.735 6.137 1.00 4.32 C ATOM 500 CE1 TYR A 32 -9.737 -14.656 7.181 1.00 1.32 C ATOM 501 CE2 TYR A 32 -7.845 -13.211 7.417 1.00 63.22 C ATOM 502 CZ TYR A 32 -8.689 -14.169 7.936 1.00 35.42 C ATOM 503 OH TYR A 32 -8.478 -14.646 9.214 1.00 1.45 O ATOM 0 H TYR A 32 -6.782 -13.428 2.828 1.00 72.04 H new ATOM 0 HA TYR A 32 -9.533 -14.502 2.812 1.00 22.54 H new ATOM 0 HB2 TYR A 32 -8.789 -11.731 3.838 1.00 54.44 H new ATOM 0 HB3 TYR A 32 -10.386 -12.452 3.818 1.00 54.44 H new ATOM 0 HD1 TYR A 32 -10.764 -14.557 5.314 1.00 62.23 H new ATOM 0 HD2 TYR A 32 -7.389 -11.984 5.736 1.00 4.32 H new ATOM 0 HE1 TYR A 32 -10.395 -15.409 7.589 1.00 1.32 H new ATOM 0 HE2 TYR A 32 -7.024 -12.834 8.009 1.00 63.22 H new ATOM 0 HH TYR A 32 -8.785 -15.575 9.271 1.00 1.45 H new ATOM 513 N PRO A 33 -8.859 -13.656 0.340 1.00 74.14 N ATOM 514 CA PRO A 33 -8.886 -13.062 -1.013 1.00 24.33 C ATOM 515 C PRO A 33 -10.270 -12.502 -1.405 1.00 3.23 C ATOM 516 O PRO A 33 -11.307 -13.122 -1.142 1.00 45.52 O ATOM 517 CB PRO A 33 -8.495 -14.236 -1.921 1.00 30.41 C ATOM 518 CG PRO A 33 -8.892 -15.456 -1.157 1.00 61.30 C ATOM 519 CD PRO A 33 -8.675 -15.121 0.295 1.00 53.11 C ATOM 0 HA PRO A 33 -8.220 -12.203 -1.088 1.00 24.33 H new ATOM 0 HB2 PRO A 33 -9.011 -14.184 -2.880 1.00 30.41 H new ATOM 0 HB3 PRO A 33 -7.426 -14.233 -2.134 1.00 30.41 H new ATOM 0 HG2 PRO A 33 -9.934 -15.714 -1.347 1.00 61.30 H new ATOM 0 HG3 PRO A 33 -8.291 -16.316 -1.454 1.00 61.30 H new ATOM 0 HD2 PRO A 33 -9.390 -15.636 0.937 1.00 53.11 H new ATOM 0 HD3 PRO A 33 -7.679 -15.411 0.630 1.00 53.11 H new ATOM 527 N GLY A 34 -10.276 -11.327 -2.041 1.00 53.20 N ATOM 528 CA GLY A 34 -11.527 -10.696 -2.467 1.00 23.43 C ATOM 529 C GLY A 34 -11.971 -9.545 -1.565 1.00 33.14 C ATOM 530 O GLY A 34 -12.626 -8.606 -2.021 1.00 32.13 O ATOM 0 H GLY A 34 -9.435 -10.797 -2.271 1.00 53.20 H new ATOM 0 HA2 GLY A 34 -11.408 -10.324 -3.485 1.00 23.43 H new ATOM 0 HA3 GLY A 34 -12.314 -11.450 -2.493 1.00 23.43 H new ATOM 534 N TYR A 35 -11.597 -9.601 -0.290 1.00 73.11 N ATOM 535 CA TYR A 35 -12.021 -8.592 0.697 1.00 30.04 C ATOM 536 C TYR A 35 -11.124 -7.338 0.670 1.00 71.34 C ATOM 537 O TYR A 35 -10.873 -6.712 1.702 1.00 65.32 O ATOM 538 CB TYR A 35 -12.026 -9.224 2.096 1.00 54.22 C ATOM 539 CG TYR A 35 -12.945 -10.428 2.201 1.00 62.40 C ATOM 540 CD1 TYR A 35 -14.299 -10.271 2.475 1.00 2.43 C ATOM 541 CD2 TYR A 35 -12.462 -11.716 2.003 1.00 44.14 C ATOM 542 CE1 TYR A 35 -15.141 -11.363 2.554 1.00 23.11 C ATOM 543 CE2 TYR A 35 -13.300 -12.811 2.075 1.00 53.15 C ATOM 544 CZ TYR A 35 -14.636 -12.629 2.351 1.00 61.21 C ATOM 545 OH TYR A 35 -15.477 -13.717 2.407 1.00 1.31 O ATOM 0 H TYR A 35 -10.999 -10.334 0.092 1.00 73.11 H new ATOM 0 HA TYR A 35 -13.027 -8.263 0.437 1.00 30.04 H new ATOM 0 HB2 TYR A 35 -11.011 -9.525 2.356 1.00 54.22 H new ATOM 0 HB3 TYR A 35 -12.333 -8.475 2.826 1.00 54.22 H new ATOM 0 HD1 TYR A 35 -14.699 -9.279 2.628 1.00 2.43 H new ATOM 0 HD2 TYR A 35 -11.414 -11.863 1.789 1.00 44.14 H new ATOM 0 HE1 TYR A 35 -16.189 -11.225 2.774 1.00 23.11 H new ATOM 0 HE2 TYR A 35 -12.909 -13.805 1.916 1.00 53.15 H new ATOM 0 HH TYR A 35 -14.964 -14.536 2.241 1.00 1.31 H new ATOM 555 N ALA A 36 -10.690 -6.953 -0.530 1.00 42.44 N ATOM 556 CA ALA A 36 -9.819 -5.786 -0.721 1.00 61.20 C ATOM 557 C ALA A 36 -10.452 -4.494 -0.170 1.00 45.43 C ATOM 558 O ALA A 36 -9.768 -3.656 0.419 1.00 13.00 O ATOM 559 CB ALA A 36 -9.485 -5.626 -2.201 1.00 1.51 C ATOM 0 H ALA A 36 -10.929 -7.437 -1.396 1.00 42.44 H new ATOM 0 HA ALA A 36 -8.902 -5.960 -0.158 1.00 61.20 H new ATOM 0 HB1 ALA A 36 -8.839 -4.759 -2.336 1.00 1.51 H new ATOM 0 HB2 ALA A 36 -8.972 -6.520 -2.557 1.00 1.51 H new ATOM 0 HB3 ALA A 36 -10.405 -5.485 -2.768 1.00 1.51 H new ATOM 565 N ARG A 37 -11.760 -4.344 -0.365 1.00 5.33 N ATOM 566 CA ARG A 37 -12.496 -3.182 0.150 1.00 22.20 C ATOM 567 C ARG A 37 -12.407 -3.095 1.681 1.00 5.34 C ATOM 568 O ARG A 37 -12.161 -2.022 2.236 1.00 75.34 O ATOM 569 CB ARG A 37 -13.967 -3.249 -0.292 1.00 11.10 C ATOM 570 CG ARG A 37 -14.821 -2.074 0.185 1.00 74.35 C ATOM 571 CD ARG A 37 -14.236 -0.726 -0.236 1.00 12.41 C ATOM 572 NE ARG A 37 -13.975 -0.657 -1.673 1.00 10.21 N ATOM 573 CZ ARG A 37 -13.527 0.406 -2.286 1.00 41.15 C ATOM 574 NH1 ARG A 37 -13.294 1.498 -1.631 1.00 44.13 N ATOM 575 NH2 ARG A 37 -13.300 0.375 -3.557 1.00 5.44 N ATOM 0 H ARG A 37 -12.337 -5.012 -0.876 1.00 5.33 H new ATOM 0 HA ARG A 37 -12.037 -2.284 -0.264 1.00 22.20 H new ATOM 0 HB2 ARG A 37 -14.006 -3.293 -1.380 1.00 11.10 H new ATOM 0 HB3 ARG A 37 -14.404 -4.176 0.080 1.00 11.10 H new ATOM 0 HG2 ARG A 37 -15.829 -2.172 -0.218 1.00 74.35 H new ATOM 0 HG3 ARG A 37 -14.907 -2.107 1.271 1.00 74.35 H new ATOM 0 HD2 ARG A 37 -14.926 0.070 0.044 1.00 12.41 H new ATOM 0 HD3 ARG A 37 -13.308 -0.550 0.308 1.00 12.41 H new ATOM 0 HE ARG A 37 -14.154 -1.491 -2.232 1.00 10.21 H new ATOM 0 HH11 ARG A 37 -13.460 1.535 -0.625 1.00 44.13 H new ATOM 0 HH12 ARG A 37 -12.944 2.322 -2.121 1.00 44.13 H new ATOM 0 HH21 ARG A 37 -13.471 -0.481 -4.085 1.00 5.44 H new ATOM 0 HH22 ARG A 37 -12.950 1.207 -4.033 1.00 5.44 H new ATOM 589 N HIS A 38 -12.601 -4.226 2.356 1.00 20.11 N ATOM 590 CA HIS A 38 -12.510 -4.281 3.819 1.00 72.44 C ATOM 591 C HIS A 38 -11.097 -3.908 4.297 1.00 70.44 C ATOM 592 O HIS A 38 -10.930 -3.235 5.317 1.00 52.45 O ATOM 593 CB HIS A 38 -12.902 -5.676 4.313 1.00 23.11 C ATOM 594 CG HIS A 38 -14.274 -6.087 3.869 1.00 74.25 C ATOM 595 ND1 HIS A 38 -14.466 -6.817 2.724 1.00 40.13 N ATOM 596 CD2 HIS A 38 -15.478 -5.821 4.430 1.00 32.32 C ATOM 597 CE1 HIS A 38 -15.772 -6.977 2.612 1.00 24.20 C ATOM 598 NE2 HIS A 38 -16.428 -6.392 3.622 1.00 32.42 N ATOM 0 H HIS A 38 -12.823 -5.119 1.916 1.00 20.11 H new ATOM 0 HA HIS A 38 -13.204 -3.553 4.239 1.00 72.44 H new ATOM 0 HB2 HIS A 38 -12.175 -6.402 3.950 1.00 23.11 H new ATOM 0 HB3 HIS A 38 -12.856 -5.697 5.402 1.00 23.11 H new ATOM 0 HD2 HIS A 38 -15.656 -5.266 5.339 1.00 32.32 H new ATOM 0 HE1 HIS A 38 -16.251 -7.513 1.806 1.00 24.20 H new ATOM 0 HE2 HIS A 38 -17.438 -6.374 3.763 1.00 32.42 H new ATOM 606 N VAL A 39 -10.085 -4.342 3.543 1.00 53.43 N ATOM 607 CA VAL A 39 -8.704 -3.918 3.791 1.00 31.32 C ATOM 608 C VAL A 39 -8.581 -2.389 3.674 1.00 64.42 C ATOM 609 O VAL A 39 -7.979 -1.733 4.525 1.00 3.44 O ATOM 610 CB VAL A 39 -7.713 -4.593 2.804 1.00 11.11 C ATOM 611 CG1 VAL A 39 -6.274 -4.147 3.072 1.00 61.43 C ATOM 612 CG2 VAL A 39 -7.832 -6.116 2.877 1.00 44.44 C ATOM 0 H VAL A 39 -10.194 -4.984 2.758 1.00 53.43 H new ATOM 0 HA VAL A 39 -8.446 -4.228 4.804 1.00 31.32 H new ATOM 0 HB VAL A 39 -7.977 -4.276 1.795 1.00 11.11 H new ATOM 0 HG11 VAL A 39 -5.604 -4.636 2.365 1.00 61.43 H new ATOM 0 HG12 VAL A 39 -6.200 -3.066 2.953 1.00 61.43 H new ATOM 0 HG13 VAL A 39 -5.992 -4.420 4.089 1.00 61.43 H new ATOM 0 HG21 VAL A 39 -7.129 -6.570 2.178 1.00 44.44 H new ATOM 0 HG22 VAL A 39 -7.604 -6.451 3.889 1.00 44.44 H new ATOM 0 HG23 VAL A 39 -8.847 -6.415 2.616 1.00 44.44 H new ATOM 622 N GLY A 40 -9.180 -1.828 2.620 1.00 12.13 N ATOM 623 CA GLY A 40 -9.188 -0.377 2.432 1.00 13.15 C ATOM 624 C GLY A 40 -9.883 0.371 3.570 1.00 42.53 C ATOM 625 O GLY A 40 -9.451 1.457 3.967 1.00 72.44 O ATOM 0 H GLY A 40 -9.662 -2.353 1.890 1.00 12.13 H new ATOM 0 HA2 GLY A 40 -8.161 -0.022 2.346 1.00 13.15 H new ATOM 0 HA3 GLY A 40 -9.687 -0.141 1.492 1.00 13.15 H new ATOM 629 N LYS A 41 -10.964 -0.210 4.092 1.00 51.02 N ATOM 630 CA LYS A 41 -11.682 0.365 5.239 1.00 63.40 C ATOM 631 C LYS A 41 -10.788 0.398 6.489 1.00 34.23 C ATOM 632 O LYS A 41 -10.837 1.345 7.280 1.00 20.34 O ATOM 633 CB LYS A 41 -12.955 -0.443 5.538 1.00 3.43 C ATOM 634 CG LYS A 41 -13.959 -0.475 4.389 1.00 32.44 C ATOM 635 CD LYS A 41 -14.451 0.923 4.016 1.00 14.11 C ATOM 636 CE LYS A 41 -15.181 1.603 5.170 1.00 42.55 C ATOM 637 NZ LYS A 41 -15.605 2.983 4.818 1.00 12.34 N ATOM 0 H LYS A 41 -11.365 -1.080 3.741 1.00 51.02 H new ATOM 0 HA LYS A 41 -11.958 1.387 4.979 1.00 63.40 H new ATOM 0 HB2 LYS A 41 -12.673 -1.466 5.788 1.00 3.43 H new ATOM 0 HB3 LYS A 41 -13.441 -0.022 6.419 1.00 3.43 H new ATOM 0 HG2 LYS A 41 -13.498 -0.941 3.518 1.00 32.44 H new ATOM 0 HG3 LYS A 41 -14.810 -1.096 4.669 1.00 32.44 H new ATOM 0 HD2 LYS A 41 -13.602 1.536 3.713 1.00 14.11 H new ATOM 0 HD3 LYS A 41 -15.118 0.855 3.156 1.00 14.11 H new ATOM 0 HE2 LYS A 41 -16.055 1.013 5.445 1.00 42.55 H new ATOM 0 HE3 LYS A 41 -14.530 1.634 6.044 1.00 42.55 H new ATOM 0 HZ1 LYS A 41 -16.097 3.412 5.627 1.00 12.34 H new ATOM 0 HZ2 LYS A 41 -14.768 3.553 4.580 1.00 12.34 H new ATOM 0 HZ3 LYS A 41 -16.246 2.951 4.000 1.00 12.34 H new ATOM 651 N ALA A 42 -9.983 -0.648 6.662 1.00 54.32 N ATOM 652 CA ALA A 42 -9.039 -0.735 7.779 1.00 2.03 C ATOM 653 C ALA A 42 -7.909 0.297 7.640 1.00 12.35 C ATOM 654 O ALA A 42 -7.613 1.046 8.573 1.00 0.21 O ATOM 655 CB ALA A 42 -8.465 -2.144 7.859 1.00 53.21 C ATOM 0 H ALA A 42 -9.965 -1.455 6.038 1.00 54.32 H new ATOM 0 HA ALA A 42 -9.577 -0.512 8.700 1.00 2.03 H new ATOM 0 HB1 ALA A 42 -7.763 -2.204 8.691 1.00 53.21 H new ATOM 0 HB2 ALA A 42 -9.274 -2.858 8.014 1.00 53.21 H new ATOM 0 HB3 ALA A 42 -7.947 -2.379 6.929 1.00 53.21 H new ATOM 661 N LEU A 43 -7.290 0.334 6.461 1.00 60.32 N ATOM 662 CA LEU A 43 -6.213 1.291 6.175 1.00 44.51 C ATOM 663 C LEU A 43 -6.681 2.743 6.371 1.00 2.33 C ATOM 664 O LEU A 43 -5.961 3.569 6.934 1.00 22.23 O ATOM 665 CB LEU A 43 -5.706 1.102 4.738 1.00 24.13 C ATOM 666 CG LEU A 43 -5.149 -0.294 4.416 1.00 34.03 C ATOM 667 CD1 LEU A 43 -4.754 -0.392 2.946 1.00 31.51 C ATOM 668 CD2 LEU A 43 -3.962 -0.628 5.318 1.00 52.13 C ATOM 0 H LEU A 43 -7.514 -0.288 5.684 1.00 60.32 H new ATOM 0 HA LEU A 43 -5.403 1.097 6.878 1.00 44.51 H new ATOM 0 HB2 LEU A 43 -6.524 1.316 4.050 1.00 24.13 H new ATOM 0 HB3 LEU A 43 -4.927 1.839 4.545 1.00 24.13 H new ATOM 0 HG LEU A 43 -5.935 -1.024 4.607 1.00 34.03 H new ATOM 0 HD11 LEU A 43 -4.362 -1.388 2.740 1.00 31.51 H new ATOM 0 HD12 LEU A 43 -5.628 -0.210 2.321 1.00 31.51 H new ATOM 0 HD13 LEU A 43 -3.988 0.352 2.725 1.00 31.51 H new ATOM 0 HD21 LEU A 43 -3.585 -1.621 5.071 1.00 52.13 H new ATOM 0 HD22 LEU A 43 -3.172 0.108 5.167 1.00 52.13 H new ATOM 0 HD23 LEU A 43 -4.281 -0.610 6.360 1.00 52.13 H new ATOM 680 N GLY A 44 -7.902 3.037 5.917 1.00 24.10 N ATOM 681 CA GLY A 44 -8.463 4.381 6.061 1.00 53.41 C ATOM 682 C GLY A 44 -8.695 4.797 7.515 1.00 41.51 C ATOM 683 O GLY A 44 -9.043 5.948 7.790 1.00 54.51 O ATOM 0 H GLY A 44 -8.516 2.369 5.451 1.00 24.10 H new ATOM 0 HA2 GLY A 44 -7.791 5.098 5.590 1.00 53.41 H new ATOM 0 HA3 GLY A 44 -9.410 4.430 5.523 1.00 53.41 H new ATOM 687 N ASN A 45 -8.510 3.860 8.443 1.00 74.40 N ATOM 688 CA ASN A 45 -8.666 4.134 9.876 1.00 14.05 C ATOM 689 C ASN A 45 -7.298 4.195 10.592 1.00 72.41 C ATOM 690 O ASN A 45 -7.217 4.568 11.764 1.00 15.11 O ATOM 691 CB ASN A 45 -9.554 3.052 10.516 1.00 64.53 C ATOM 692 CG ASN A 45 -9.906 3.346 11.965 1.00 73.12 C ATOM 693 OD1 ASN A 45 -10.037 4.498 12.370 1.00 74.34 O ATOM 694 ND2 ASN A 45 -10.068 2.306 12.761 1.00 32.21 N ATOM 0 H ASN A 45 -8.250 2.897 8.229 1.00 74.40 H new ATOM 0 HA ASN A 45 -9.141 5.109 9.988 1.00 14.05 H new ATOM 0 HB2 ASN A 45 -10.473 2.957 9.938 1.00 64.53 H new ATOM 0 HB3 ASN A 45 -9.042 2.091 10.461 1.00 64.53 H new ATOM 0 HD21 ASN A 45 -10.309 2.447 13.742 1.00 32.21 H new ATOM 0 HD22 ASN A 45 -9.952 1.361 12.395 1.00 32.21 H new ATOM 701 N LEU A 46 -6.226 3.840 9.882 1.00 61.14 N ATOM 702 CA LEU A 46 -4.880 3.801 10.473 1.00 61.50 C ATOM 703 C LEU A 46 -4.331 5.208 10.782 1.00 43.11 C ATOM 704 O LEU A 46 -4.564 6.160 10.032 1.00 71.15 O ATOM 705 CB LEU A 46 -3.913 3.055 9.541 1.00 52.32 C ATOM 706 CG LEU A 46 -4.108 1.532 9.474 1.00 41.31 C ATOM 707 CD1 LEU A 46 -3.145 0.907 8.467 1.00 12.24 C ATOM 708 CD2 LEU A 46 -3.920 0.907 10.857 1.00 34.12 C ATOM 0 H LEU A 46 -6.260 3.575 8.898 1.00 61.14 H new ATOM 0 HA LEU A 46 -4.962 3.269 11.421 1.00 61.50 H new ATOM 0 HB2 LEU A 46 -4.017 3.462 8.535 1.00 52.32 H new ATOM 0 HB3 LEU A 46 -2.892 3.260 9.864 1.00 52.32 H new ATOM 0 HG LEU A 46 -5.126 1.332 9.140 1.00 41.31 H new ATOM 0 HD11 LEU A 46 -3.300 -0.171 8.436 1.00 12.24 H new ATOM 0 HD12 LEU A 46 -3.328 1.329 7.479 1.00 12.24 H new ATOM 0 HD13 LEU A 46 -2.118 1.117 8.767 1.00 12.24 H new ATOM 0 HD21 LEU A 46 -4.062 -0.172 10.791 1.00 34.12 H new ATOM 0 HD22 LEU A 46 -2.914 1.119 11.219 1.00 34.12 H new ATOM 0 HD23 LEU A 46 -4.650 1.327 11.549 1.00 34.12 H new ATOM 720 N PRO A 47 -3.600 5.353 11.906 1.00 43.40 N ATOM 721 CA PRO A 47 -2.976 6.631 12.290 1.00 41.03 C ATOM 722 C PRO A 47 -1.836 7.060 11.344 1.00 61.44 C ATOM 723 O PRO A 47 -1.010 6.245 10.927 1.00 75.12 O ATOM 724 CB PRO A 47 -2.444 6.360 13.706 1.00 21.53 C ATOM 725 CG PRO A 47 -2.284 4.880 13.789 1.00 74.22 C ATOM 726 CD PRO A 47 -3.344 4.290 12.898 1.00 73.24 C ATOM 0 HA PRO A 47 -3.688 7.455 12.239 1.00 41.03 H new ATOM 0 HB2 PRO A 47 -1.494 6.868 13.874 1.00 21.53 H new ATOM 0 HB3 PRO A 47 -3.138 6.724 14.463 1.00 21.53 H new ATOM 0 HG2 PRO A 47 -1.289 4.578 13.462 1.00 74.22 H new ATOM 0 HG3 PRO A 47 -2.402 4.533 14.816 1.00 74.22 H new ATOM 0 HD2 PRO A 47 -3.001 3.372 12.421 1.00 73.24 H new ATOM 0 HD3 PRO A 47 -4.245 4.040 13.459 1.00 73.24 H new ATOM 734 N GLU A 48 -1.803 8.356 11.028 1.00 33.34 N ATOM 735 CA GLU A 48 -0.804 8.935 10.114 1.00 74.13 C ATOM 736 C GLU A 48 0.641 8.543 10.483 1.00 52.03 C ATOM 737 O GLU A 48 1.439 8.182 9.615 1.00 21.34 O ATOM 738 CB GLU A 48 -0.943 10.465 10.116 1.00 21.42 C ATOM 739 CG GLU A 48 -0.840 11.080 11.510 1.00 40.44 C ATOM 740 CD GLU A 48 -1.093 12.574 11.528 1.00 71.52 C ATOM 741 OE1 GLU A 48 -2.266 12.981 11.398 1.00 62.55 O ATOM 742 OE2 GLU A 48 -0.123 13.350 11.662 1.00 11.42 O ATOM 0 H GLU A 48 -2.466 9.038 11.396 1.00 33.34 H new ATOM 0 HA GLU A 48 -0.998 8.533 9.120 1.00 74.13 H new ATOM 0 HB2 GLU A 48 -0.169 10.894 9.479 1.00 21.42 H new ATOM 0 HB3 GLU A 48 -1.903 10.736 9.677 1.00 21.42 H new ATOM 0 HG2 GLU A 48 -1.556 10.590 12.169 1.00 40.44 H new ATOM 0 HG3 GLU A 48 0.153 10.882 11.914 1.00 40.44 H new ATOM 749 N GLY A 49 0.970 8.617 11.772 1.00 70.50 N ATOM 750 CA GLY A 49 2.326 8.324 12.226 1.00 75.41 C ATOM 751 C GLY A 49 2.502 6.891 12.712 1.00 32.44 C ATOM 752 O GLY A 49 3.224 6.640 13.680 1.00 10.03 O ATOM 0 H GLY A 49 0.320 8.876 12.515 1.00 70.50 H new ATOM 0 HA2 GLY A 49 3.024 8.512 11.410 1.00 75.41 H new ATOM 0 HA3 GLY A 49 2.588 9.009 13.033 1.00 75.41 H new ATOM 756 N SER A 50 1.843 5.948 12.045 1.00 23.54 N ATOM 757 CA SER A 50 1.961 4.527 12.398 1.00 75.11 C ATOM 758 C SER A 50 3.268 3.926 11.874 1.00 73.25 C ATOM 759 O SER A 50 3.766 4.312 10.815 1.00 63.20 O ATOM 760 CB SER A 50 0.784 3.725 11.828 1.00 54.25 C ATOM 761 OG SER A 50 0.864 2.355 12.205 1.00 1.34 O ATOM 0 H SER A 50 1.222 6.136 11.258 1.00 23.54 H new ATOM 0 HA SER A 50 1.954 4.468 13.486 1.00 75.11 H new ATOM 0 HB2 SER A 50 -0.155 4.149 12.185 1.00 54.25 H new ATOM 0 HB3 SER A 50 0.778 3.806 10.741 1.00 54.25 H new ATOM 0 HG SER A 50 -0.028 1.952 12.164 1.00 1.34 H new ATOM 767 N LYS A 51 3.824 2.981 12.629 1.00 73.23 N ATOM 768 CA LYS A 51 4.983 2.209 12.171 1.00 54.03 C ATOM 769 C LYS A 51 4.557 1.178 11.115 1.00 41.13 C ATOM 770 O LYS A 51 5.393 0.604 10.411 1.00 1.23 O ATOM 771 CB LYS A 51 5.665 1.523 13.362 1.00 75.21 C ATOM 772 CG LYS A 51 6.274 2.512 14.352 1.00 14.11 C ATOM 773 CD LYS A 51 6.845 1.816 15.583 1.00 5.24 C ATOM 774 CE LYS A 51 7.495 2.809 16.542 1.00 62.34 C ATOM 775 NZ LYS A 51 6.546 3.861 16.991 1.00 31.22 N ATOM 0 H LYS A 51 3.493 2.730 13.560 1.00 73.23 H new ATOM 0 HA LYS A 51 5.699 2.889 11.710 1.00 54.03 H new ATOM 0 HB2 LYS A 51 4.937 0.900 13.881 1.00 75.21 H new ATOM 0 HB3 LYS A 51 6.447 0.859 12.993 1.00 75.21 H new ATOM 0 HG2 LYS A 51 7.063 3.079 13.858 1.00 14.11 H new ATOM 0 HG3 LYS A 51 5.513 3.229 14.662 1.00 14.11 H new ATOM 0 HD2 LYS A 51 6.049 1.279 16.099 1.00 5.24 H new ATOM 0 HD3 LYS A 51 7.581 1.074 15.273 1.00 5.24 H new ATOM 0 HE2 LYS A 51 7.879 2.274 17.411 1.00 62.34 H new ATOM 0 HE3 LYS A 51 8.349 3.278 16.053 1.00 62.34 H new ATOM 0 HZ1 LYS A 51 6.961 4.387 17.786 1.00 31.22 H new ATOM 0 HZ2 LYS A 51 6.356 4.515 16.205 1.00 31.22 H new ATOM 0 HZ3 LYS A 51 5.656 3.418 17.296 1.00 31.22 H new ATOM 789 N LEU A 52 3.246 0.961 11.018 1.00 41.44 N ATOM 790 CA LEU A 52 2.654 0.127 9.971 1.00 30.11 C ATOM 791 C LEU A 52 2.474 0.940 8.679 1.00 25.33 C ATOM 792 O LEU A 52 1.687 1.889 8.643 1.00 4.44 O ATOM 793 CB LEU A 52 1.292 -0.406 10.440 1.00 33.31 C ATOM 794 CG LEU A 52 0.470 -1.154 9.378 1.00 23.11 C ATOM 795 CD1 LEU A 52 1.163 -2.445 8.960 1.00 52.22 C ATOM 796 CD2 LEU A 52 -0.937 -1.434 9.890 1.00 23.52 C ATOM 0 H LEU A 52 2.563 1.358 11.663 1.00 41.44 H new ATOM 0 HA LEU A 52 3.322 -0.711 9.770 1.00 30.11 H new ATOM 0 HB2 LEU A 52 1.455 -1.075 11.285 1.00 33.31 H new ATOM 0 HB3 LEU A 52 0.701 0.433 10.807 1.00 33.31 H new ATOM 0 HG LEU A 52 0.393 -0.517 8.497 1.00 23.11 H new ATOM 0 HD11 LEU A 52 0.560 -2.954 8.208 1.00 52.22 H new ATOM 0 HD12 LEU A 52 2.143 -2.213 8.543 1.00 52.22 H new ATOM 0 HD13 LEU A 52 1.282 -3.092 9.829 1.00 52.22 H new ATOM 0 HD21 LEU A 52 -1.504 -1.964 9.125 1.00 23.52 H new ATOM 0 HD22 LEU A 52 -0.882 -2.047 10.790 1.00 23.52 H new ATOM 0 HD23 LEU A 52 -1.434 -0.492 10.122 1.00 23.52 H new ATOM 808 N PRO A 53 3.199 0.596 7.600 1.00 22.10 N ATOM 809 CA PRO A 53 3.121 1.351 6.343 1.00 2.31 C ATOM 810 C PRO A 53 1.761 1.205 5.638 1.00 34.24 C ATOM 811 O PRO A 53 1.540 0.274 4.863 1.00 34.12 O ATOM 812 CB PRO A 53 4.249 0.745 5.483 1.00 13.44 C ATOM 813 CG PRO A 53 5.087 -0.053 6.431 1.00 23.11 C ATOM 814 CD PRO A 53 4.154 -0.519 7.512 1.00 71.02 C ATOM 0 HA PRO A 53 3.227 2.422 6.514 1.00 2.31 H new ATOM 0 HB2 PRO A 53 3.844 0.115 4.691 1.00 13.44 H new ATOM 0 HB3 PRO A 53 4.837 1.525 5.000 1.00 13.44 H new ATOM 0 HG2 PRO A 53 5.552 -0.899 5.925 1.00 23.11 H new ATOM 0 HG3 PRO A 53 5.893 0.553 6.845 1.00 23.11 H new ATOM 0 HD2 PRO A 53 3.663 -1.456 7.250 1.00 71.02 H new ATOM 0 HD3 PRO A 53 4.674 -0.685 8.455 1.00 71.02 H new ATOM 822 N TRP A 54 0.862 2.152 5.891 1.00 44.41 N ATOM 823 CA TRP A 54 -0.444 2.201 5.218 1.00 32.23 C ATOM 824 C TRP A 54 -0.309 2.746 3.788 1.00 23.02 C ATOM 825 O TRP A 54 -1.171 2.536 2.938 1.00 5.12 O ATOM 826 CB TRP A 54 -1.423 3.069 6.032 1.00 24.53 C ATOM 827 CG TRP A 54 -0.866 4.413 6.431 1.00 23.14 C ATOM 828 CD1 TRP A 54 -0.206 4.713 7.591 1.00 3.54 C ATOM 829 CD2 TRP A 54 -0.923 5.636 5.679 1.00 72.51 C ATOM 830 NE1 TRP A 54 0.151 6.040 7.604 1.00 32.32 N ATOM 831 CE2 TRP A 54 -0.277 6.626 6.444 1.00 32.23 C ATOM 832 CE3 TRP A 54 -1.451 5.989 4.433 1.00 12.44 C ATOM 833 CZ2 TRP A 54 -0.149 7.943 6.007 1.00 14.21 C ATOM 834 CZ3 TRP A 54 -1.325 7.297 4.001 1.00 55.12 C ATOM 835 CH2 TRP A 54 -0.676 8.259 4.785 1.00 53.14 C ATOM 0 H TRP A 54 1.011 2.905 6.563 1.00 44.41 H new ATOM 0 HA TRP A 54 -0.835 1.186 5.155 1.00 32.23 H new ATOM 0 HB2 TRP A 54 -2.330 3.222 5.447 1.00 24.53 H new ATOM 0 HB3 TRP A 54 -1.713 2.526 6.931 1.00 24.53 H new ATOM 0 HD1 TRP A 54 0.004 4.009 8.382 1.00 3.54 H new ATOM 0 HE1 TRP A 54 0.653 6.511 8.356 1.00 32.32 H new ATOM 0 HE3 TRP A 54 -1.949 5.253 3.819 1.00 12.44 H new ATOM 0 HZ2 TRP A 54 0.348 8.687 6.611 1.00 14.21 H new ATOM 0 HZ3 TRP A 54 -1.734 7.581 3.043 1.00 55.12 H new ATOM 0 HH2 TRP A 54 -0.590 9.271 4.417 1.00 53.14 H new ATOM 846 N PHE A 55 0.805 3.424 3.534 1.00 1.41 N ATOM 847 CA PHE A 55 1.044 4.116 2.261 1.00 43.42 C ATOM 848 C PHE A 55 1.530 3.180 1.134 1.00 42.25 C ATOM 849 O PHE A 55 1.625 3.597 -0.020 1.00 0.24 O ATOM 850 CB PHE A 55 2.056 5.253 2.485 1.00 2.25 C ATOM 851 CG PHE A 55 3.252 4.857 3.319 1.00 14.31 C ATOM 852 CD1 PHE A 55 4.378 4.297 2.734 1.00 3.21 C ATOM 853 CD2 PHE A 55 3.248 5.053 4.695 1.00 43.02 C ATOM 854 CE1 PHE A 55 5.472 3.943 3.498 1.00 41.34 C ATOM 855 CE2 PHE A 55 4.340 4.698 5.463 1.00 60.33 C ATOM 856 CZ PHE A 55 5.455 4.144 4.863 1.00 55.04 C ATOM 0 H PHE A 55 1.571 3.513 4.201 1.00 1.41 H new ATOM 0 HA PHE A 55 0.087 4.516 1.927 1.00 43.42 H new ATOM 0 HB2 PHE A 55 2.404 5.611 1.516 1.00 2.25 H new ATOM 0 HB3 PHE A 55 1.548 6.087 2.970 1.00 2.25 H new ATOM 0 HD1 PHE A 55 4.399 4.136 1.666 1.00 3.21 H new ATOM 0 HD2 PHE A 55 2.381 5.488 5.169 1.00 43.02 H new ATOM 0 HE1 PHE A 55 6.341 3.509 3.027 1.00 41.34 H new ATOM 0 HE2 PHE A 55 4.322 4.853 6.532 1.00 60.33 H new ATOM 0 HZ PHE A 55 6.311 3.869 5.461 1.00 55.04 H new ATOM 866 N ARG A 56 1.827 1.921 1.461 1.00 33.43 N ATOM 867 CA ARG A 56 2.351 0.967 0.467 1.00 24.34 C ATOM 868 C ARG A 56 1.240 0.249 -0.318 1.00 11.14 C ATOM 869 O ARG A 56 1.495 -0.312 -1.383 1.00 52.23 O ATOM 870 CB ARG A 56 3.237 -0.087 1.144 1.00 64.23 C ATOM 871 CG ARG A 56 4.533 0.466 1.724 1.00 73.43 C ATOM 872 CD ARG A 56 5.389 -0.646 2.321 1.00 64.03 C ATOM 873 NE ARG A 56 6.637 -0.139 2.876 1.00 12.20 N ATOM 874 CZ ARG A 56 7.351 -0.754 3.775 1.00 3.32 C ATOM 875 NH1 ARG A 56 6.975 -1.895 4.252 1.00 51.25 N ATOM 876 NH2 ARG A 56 8.434 -0.213 4.216 1.00 64.54 N ATOM 0 H ARG A 56 1.717 1.535 2.399 1.00 33.43 H new ATOM 0 HA ARG A 56 2.935 1.558 -0.239 1.00 24.34 H new ATOM 0 HB2 ARG A 56 2.669 -0.564 1.943 1.00 64.23 H new ATOM 0 HB3 ARG A 56 3.479 -0.863 0.418 1.00 64.23 H new ATOM 0 HG2 ARG A 56 5.093 0.981 0.943 1.00 73.43 H new ATOM 0 HG3 ARG A 56 4.305 1.205 2.492 1.00 73.43 H new ATOM 0 HD2 ARG A 56 4.826 -1.156 3.103 1.00 64.03 H new ATOM 0 HD3 ARG A 56 5.609 -1.386 1.552 1.00 64.03 H new ATOM 0 HE ARG A 56 6.976 0.761 2.536 1.00 12.20 H new ATOM 0 HH11 ARG A 56 6.110 -2.324 3.925 1.00 51.25 H new ATOM 0 HH12 ARG A 56 7.544 -2.366 4.956 1.00 51.25 H new ATOM 0 HH21 ARG A 56 8.731 0.696 3.861 1.00 64.54 H new ATOM 0 HH22 ARG A 56 8.994 -0.694 4.920 1.00 64.54 H new ATOM 890 N VAL A 57 0.020 0.254 0.209 1.00 30.33 N ATOM 891 CA VAL A 57 -1.077 -0.514 -0.397 1.00 53.34 C ATOM 892 C VAL A 57 -1.879 0.327 -1.408 1.00 62.31 C ATOM 893 O VAL A 57 -2.654 1.206 -1.033 1.00 23.44 O ATOM 894 CB VAL A 57 -2.031 -1.078 0.683 1.00 54.10 C ATOM 895 CG1 VAL A 57 -3.075 -2.001 0.052 1.00 4.53 C ATOM 896 CG2 VAL A 57 -1.244 -1.810 1.770 1.00 25.25 C ATOM 0 H VAL A 57 -0.239 0.775 1.047 1.00 30.33 H new ATOM 0 HA VAL A 57 -0.616 -1.344 -0.932 1.00 53.34 H new ATOM 0 HB VAL A 57 -2.554 -0.242 1.148 1.00 54.10 H new ATOM 0 HG11 VAL A 57 -3.736 -2.387 0.828 1.00 4.53 H new ATOM 0 HG12 VAL A 57 -3.660 -1.443 -0.678 1.00 4.53 H new ATOM 0 HG13 VAL A 57 -2.574 -2.832 -0.444 1.00 4.53 H new ATOM 0 HG21 VAL A 57 -1.934 -2.199 2.519 1.00 25.25 H new ATOM 0 HG22 VAL A 57 -0.690 -2.636 1.324 1.00 25.25 H new ATOM 0 HG23 VAL A 57 -0.547 -1.118 2.243 1.00 25.25 H new ATOM 906 N ILE A 58 -1.676 0.044 -2.692 1.00 63.32 N ATOM 907 CA ILE A 58 -2.373 0.746 -3.778 1.00 50.15 C ATOM 908 C ILE A 58 -3.241 -0.223 -4.608 1.00 53.40 C ATOM 909 O ILE A 58 -3.379 -1.396 -4.263 1.00 2.20 O ATOM 910 CB ILE A 58 -1.362 1.462 -4.710 1.00 44.14 C ATOM 911 CG1 ILE A 58 -0.360 0.451 -5.296 1.00 1.42 C ATOM 912 CG2 ILE A 58 -0.636 2.578 -3.955 1.00 25.14 C ATOM 913 CD1 ILE A 58 0.671 1.070 -6.217 1.00 74.01 C ATOM 0 H ILE A 58 -1.027 -0.675 -3.013 1.00 63.32 H new ATOM 0 HA ILE A 58 -3.024 1.489 -3.317 1.00 50.15 H new ATOM 0 HB ILE A 58 -1.910 1.913 -5.537 1.00 44.14 H new ATOM 0 HG12 ILE A 58 0.154 -0.052 -4.477 1.00 1.42 H new ATOM 0 HG13 ILE A 58 -0.910 -0.314 -5.844 1.00 1.42 H new ATOM 0 HG21 ILE A 58 0.070 3.070 -4.624 1.00 25.14 H new ATOM 0 HG22 ILE A 58 -1.363 3.306 -3.595 1.00 25.14 H new ATOM 0 HG23 ILE A 58 -0.097 2.153 -3.108 1.00 25.14 H new ATOM 0 HD11 ILE A 58 1.340 0.294 -6.589 1.00 74.01 H new ATOM 0 HD12 ILE A 58 0.168 1.548 -7.057 1.00 74.01 H new ATOM 0 HD13 ILE A 58 1.248 1.814 -5.669 1.00 74.01 H new ATOM 925 N ASN A 59 -3.839 0.268 -5.696 1.00 45.32 N ATOM 926 CA ASN A 59 -4.690 -0.579 -6.546 1.00 55.22 C ATOM 927 C ASN A 59 -3.880 -1.287 -7.648 1.00 40.32 C ATOM 928 O ASN A 59 -2.735 -0.916 -7.924 1.00 61.10 O ATOM 929 CB ASN A 59 -5.845 0.240 -7.154 1.00 31.44 C ATOM 930 CG ASN A 59 -5.411 1.491 -7.917 1.00 55.13 C ATOM 931 OD1 ASN A 59 -4.238 1.481 -8.526 1.00 31.40 O flip ATOM 932 ND2 ASN A 59 -6.146 2.469 -7.972 1.00 41.35 N flip ATOM 0 H ASN A 59 -3.754 1.235 -6.009 1.00 45.32 H new ATOM 0 HA ASN A 59 -5.115 -1.354 -5.909 1.00 55.22 H new ATOM 0 HB2 ASN A 59 -6.411 -0.402 -7.829 1.00 31.44 H new ATOM 0 HB3 ASN A 59 -6.522 0.537 -6.353 1.00 31.44 H new ATOM 0 HD21 ASN A 59 -7.048 2.457 -7.495 1.00 41.35 H new ATOM 0 HD22 ASN A 59 -5.857 3.296 -8.495 1.00 41.35 H new ATOM 939 N SER A 60 -4.493 -2.278 -8.296 1.00 14.34 N ATOM 940 CA SER A 60 -3.819 -3.108 -9.314 1.00 43.11 C ATOM 941 C SER A 60 -3.213 -2.274 -10.457 1.00 60.54 C ATOM 942 O SER A 60 -2.206 -2.660 -11.049 1.00 63.44 O ATOM 943 CB SER A 60 -4.805 -4.129 -9.896 1.00 70.53 C ATOM 944 OG SER A 60 -5.380 -4.932 -8.875 1.00 1.52 O ATOM 0 H SER A 60 -5.468 -2.533 -8.136 1.00 14.34 H new ATOM 0 HA SER A 60 -2.998 -3.618 -8.811 1.00 43.11 H new ATOM 0 HB2 SER A 60 -5.593 -3.608 -10.439 1.00 70.53 H new ATOM 0 HB3 SER A 60 -4.290 -4.766 -10.615 1.00 70.53 H new ATOM 0 HG SER A 60 -6.005 -5.572 -9.275 1.00 1.52 H new ATOM 950 N GLN A 61 -3.829 -1.133 -10.763 1.00 30.53 N ATOM 951 CA GLN A 61 -3.333 -0.235 -11.822 1.00 54.51 C ATOM 952 C GLN A 61 -1.958 0.384 -11.490 1.00 40.22 C ATOM 953 O GLN A 61 -1.368 1.070 -12.325 1.00 74.34 O ATOM 954 CB GLN A 61 -4.352 0.891 -12.074 1.00 42.51 C ATOM 955 CG GLN A 61 -5.677 0.423 -12.671 1.00 62.51 C ATOM 956 CD GLN A 61 -5.570 -0.015 -14.125 1.00 10.44 C ATOM 957 OE1 GLN A 61 -4.540 -0.512 -14.577 1.00 71.34 O ATOM 958 NE2 GLN A 61 -6.639 0.167 -14.872 1.00 60.24 N ATOM 0 H GLN A 61 -4.673 -0.802 -10.296 1.00 30.53 H new ATOM 0 HA GLN A 61 -3.208 -0.844 -12.717 1.00 54.51 H new ATOM 0 HB2 GLN A 61 -4.552 1.400 -11.131 1.00 42.51 H new ATOM 0 HB3 GLN A 61 -3.905 1.625 -12.744 1.00 42.51 H new ATOM 0 HG2 GLN A 61 -6.060 -0.407 -12.078 1.00 62.51 H new ATOM 0 HG3 GLN A 61 -6.405 1.231 -12.596 1.00 62.51 H new ATOM 0 HE21 GLN A 61 -7.479 0.582 -14.468 1.00 60.24 H new ATOM 0 HE22 GLN A 61 -6.627 -0.107 -15.854 1.00 60.24 H new ATOM 967 N GLY A 62 -1.448 0.138 -10.284 1.00 1.34 N ATOM 968 CA GLY A 62 -0.200 0.767 -9.856 1.00 0.02 C ATOM 969 C GLY A 62 -0.357 2.268 -9.636 1.00 34.22 C ATOM 970 O GLY A 62 0.415 3.073 -10.161 1.00 71.50 O ATOM 0 H GLY A 62 -1.872 -0.483 -9.595 1.00 1.34 H new ATOM 0 HA2 GLY A 62 0.142 0.300 -8.932 1.00 0.02 H new ATOM 0 HA3 GLY A 62 0.570 0.590 -10.607 1.00 0.02 H new ATOM 974 N LYS A 63 -1.363 2.637 -8.854 1.00 73.05 N ATOM 975 CA LYS A 63 -1.703 4.045 -8.632 1.00 32.03 C ATOM 976 C LYS A 63 -2.291 4.253 -7.227 1.00 24.20 C ATOM 977 O LYS A 63 -2.974 3.375 -6.697 1.00 22.11 O ATOM 978 CB LYS A 63 -2.708 4.508 -9.702 1.00 35.32 C ATOM 979 CG LYS A 63 -3.088 5.981 -9.604 1.00 21.24 C ATOM 980 CD LYS A 63 -4.131 6.372 -10.647 1.00 1.12 C ATOM 981 CE LYS A 63 -4.435 7.864 -10.600 1.00 52.21 C ATOM 982 NZ LYS A 63 -5.475 8.252 -11.585 1.00 72.40 N ATOM 0 H LYS A 63 -1.964 1.979 -8.358 1.00 73.05 H new ATOM 0 HA LYS A 63 -0.793 4.640 -8.708 1.00 32.03 H new ATOM 0 HB2 LYS A 63 -2.285 4.318 -10.688 1.00 35.32 H new ATOM 0 HB3 LYS A 63 -3.612 3.905 -9.621 1.00 35.32 H new ATOM 0 HG2 LYS A 63 -3.476 6.190 -8.607 1.00 21.24 H new ATOM 0 HG3 LYS A 63 -2.197 6.595 -9.734 1.00 21.24 H new ATOM 0 HD2 LYS A 63 -3.772 6.104 -11.641 1.00 1.12 H new ATOM 0 HD3 LYS A 63 -5.047 5.807 -10.476 1.00 1.12 H new ATOM 0 HE2 LYS A 63 -4.766 8.135 -9.598 1.00 52.21 H new ATOM 0 HE3 LYS A 63 -3.522 8.426 -10.797 1.00 52.21 H new ATOM 0 HZ1 LYS A 63 -5.651 9.275 -11.519 1.00 72.40 H new ATOM 0 HZ2 LYS A 63 -5.149 8.018 -12.544 1.00 72.40 H new ATOM 0 HZ3 LYS A 63 -6.355 7.736 -11.383 1.00 72.40 H new ATOM 996 N ILE A 64 -2.017 5.410 -6.630 1.00 74.14 N ATOM 997 CA ILE A 64 -2.549 5.748 -5.308 1.00 71.41 C ATOM 998 C ILE A 64 -4.084 5.886 -5.337 1.00 1.42 C ATOM 999 O ILE A 64 -4.640 6.616 -6.160 1.00 12.05 O ATOM 1000 CB ILE A 64 -1.915 7.058 -4.771 1.00 10.34 C ATOM 1001 CG1 ILE A 64 -0.393 6.889 -4.613 1.00 22.51 C ATOM 1002 CG2 ILE A 64 -2.557 7.471 -3.447 1.00 33.34 C ATOM 1003 CD1 ILE A 64 0.312 8.116 -4.066 1.00 74.11 C ATOM 0 H ILE A 64 -1.427 6.134 -7.041 1.00 74.14 H new ATOM 0 HA ILE A 64 -2.288 4.929 -4.638 1.00 71.41 H new ATOM 0 HB ILE A 64 -2.101 7.852 -5.494 1.00 10.34 H new ATOM 0 HG12 ILE A 64 -0.199 6.046 -3.950 1.00 22.51 H new ATOM 0 HG13 ILE A 64 0.037 6.638 -5.583 1.00 22.51 H new ATOM 0 HG21 ILE A 64 -2.096 8.392 -3.091 1.00 33.34 H new ATOM 0 HG22 ILE A 64 -3.625 7.634 -3.595 1.00 33.34 H new ATOM 0 HG23 ILE A 64 -2.409 6.682 -2.709 1.00 33.34 H new ATOM 0 HD11 ILE A 64 1.380 7.916 -3.985 1.00 74.11 H new ATOM 0 HD12 ILE A 64 0.151 8.958 -4.739 1.00 74.11 H new ATOM 0 HD13 ILE A 64 -0.088 8.357 -3.081 1.00 74.11 H new ATOM 1015 N SER A 65 -4.761 5.173 -4.437 1.00 14.45 N ATOM 1016 CA SER A 65 -6.230 5.188 -4.370 1.00 42.24 C ATOM 1017 C SER A 65 -6.755 6.482 -3.728 1.00 43.34 C ATOM 1018 O SER A 65 -7.851 6.948 -4.049 1.00 4.12 O ATOM 1019 CB SER A 65 -6.730 3.982 -3.571 1.00 73.42 C ATOM 1020 OG SER A 65 -6.185 3.986 -2.262 1.00 53.53 O ATOM 0 H SER A 65 -4.318 4.575 -3.740 1.00 14.45 H new ATOM 0 HA SER A 65 -6.608 5.138 -5.391 1.00 42.24 H new ATOM 0 HB2 SER A 65 -7.818 4.002 -3.517 1.00 73.42 H new ATOM 0 HB3 SER A 65 -6.453 3.060 -4.083 1.00 73.42 H new ATOM 0 HG SER A 65 -6.264 3.090 -1.872 1.00 53.53 H new ATOM 1026 N LEU A 66 -5.977 7.049 -2.808 1.00 20.02 N ATOM 1027 CA LEU A 66 -6.348 8.304 -2.143 1.00 0.31 C ATOM 1028 C LEU A 66 -6.107 9.512 -3.064 1.00 1.50 C ATOM 1029 O LEU A 66 -5.253 9.468 -3.948 1.00 52.45 O ATOM 1030 CB LEU A 66 -5.546 8.472 -0.842 1.00 72.13 C ATOM 1031 CG LEU A 66 -5.620 7.288 0.139 1.00 22.21 C ATOM 1032 CD1 LEU A 66 -4.802 7.575 1.396 1.00 31.21 C ATOM 1033 CD2 LEU A 66 -7.069 6.966 0.500 1.00 71.22 C ATOM 0 H LEU A 66 -5.084 6.661 -2.503 1.00 20.02 H new ATOM 0 HA LEU A 66 -7.411 8.259 -1.908 1.00 0.31 H new ATOM 0 HB2 LEU A 66 -4.501 8.643 -1.099 1.00 72.13 H new ATOM 0 HB3 LEU A 66 -5.899 9.368 -0.331 1.00 72.13 H new ATOM 0 HG LEU A 66 -5.193 6.415 -0.355 1.00 22.21 H new ATOM 0 HD11 LEU A 66 -4.868 6.725 2.075 1.00 31.21 H new ATOM 0 HD12 LEU A 66 -3.760 7.740 1.122 1.00 31.21 H new ATOM 0 HD13 LEU A 66 -5.193 8.465 1.889 1.00 31.21 H new ATOM 0 HD21 LEU A 66 -7.093 6.126 1.194 1.00 71.22 H new ATOM 0 HD22 LEU A 66 -7.529 7.836 0.968 1.00 71.22 H new ATOM 0 HD23 LEU A 66 -7.620 6.706 -0.404 1.00 71.22 H new ATOM 1045 N LYS A 67 -6.870 10.585 -2.861 1.00 52.13 N ATOM 1046 CA LYS A 67 -6.711 11.814 -3.653 1.00 72.04 C ATOM 1047 C LYS A 67 -6.648 13.060 -2.760 1.00 23.14 C ATOM 1048 O LYS A 67 -6.659 12.961 -1.531 1.00 71.12 O ATOM 1049 CB LYS A 67 -7.848 11.953 -4.676 1.00 70.35 C ATOM 1050 CG LYS A 67 -7.782 10.938 -5.815 1.00 63.21 C ATOM 1051 CD LYS A 67 -8.862 11.184 -6.868 1.00 31.51 C ATOM 1052 CE LYS A 67 -8.784 12.594 -7.448 1.00 71.53 C ATOM 1053 NZ LYS A 67 -7.452 12.888 -8.049 1.00 61.05 N ATOM 0 H LYS A 67 -7.606 10.633 -2.156 1.00 52.13 H new ATOM 0 HA LYS A 67 -5.764 11.735 -4.186 1.00 72.04 H new ATOM 0 HB2 LYS A 67 -8.802 11.845 -4.161 1.00 70.35 H new ATOM 0 HB3 LYS A 67 -7.825 12.958 -5.096 1.00 70.35 H new ATOM 0 HG2 LYS A 67 -6.800 10.985 -6.286 1.00 63.21 H new ATOM 0 HG3 LYS A 67 -7.893 9.932 -5.410 1.00 63.21 H new ATOM 0 HD2 LYS A 67 -8.758 10.455 -7.672 1.00 31.51 H new ATOM 0 HD3 LYS A 67 -9.845 11.029 -6.423 1.00 31.51 H new ATOM 0 HE2 LYS A 67 -9.557 12.715 -8.207 1.00 71.53 H new ATOM 0 HE3 LYS A 67 -8.993 13.319 -6.662 1.00 71.53 H new ATOM 0 HZ1 LYS A 67 -7.480 13.816 -8.518 1.00 61.05 H new ATOM 0 HZ2 LYS A 67 -6.729 12.899 -7.302 1.00 61.05 H new ATOM 0 HZ3 LYS A 67 -7.217 12.154 -8.747 1.00 61.05 H new ATOM 1067 N GLY A 68 -6.586 14.234 -3.385 1.00 51.11 N ATOM 1068 CA GLY A 68 -6.436 15.479 -2.639 1.00 5.40 C ATOM 1069 C GLY A 68 -5.101 15.561 -1.907 1.00 1.13 C ATOM 1070 O GLY A 68 -4.103 14.992 -2.358 1.00 0.43 O ATOM 0 H GLY A 68 -6.637 14.348 -4.397 1.00 51.11 H new ATOM 0 HA2 GLY A 68 -6.524 16.322 -3.324 1.00 5.40 H new ATOM 0 HA3 GLY A 68 -7.249 15.567 -1.918 1.00 5.40 H new ATOM 1074 N ARG A 69 -5.076 16.258 -0.773 1.00 45.52 N ATOM 1075 CA ARG A 69 -3.856 16.369 0.036 1.00 3.44 C ATOM 1076 C ARG A 69 -3.402 15.000 0.562 1.00 31.31 C ATOM 1077 O ARG A 69 -2.213 14.778 0.791 1.00 50.33 O ATOM 1078 CB ARG A 69 -4.072 17.341 1.206 1.00 43.32 C ATOM 1079 CG ARG A 69 -4.139 18.808 0.791 1.00 22.45 C ATOM 1080 CD ARG A 69 -2.843 19.267 0.127 1.00 14.31 C ATOM 1081 NE ARG A 69 -1.675 18.979 0.959 1.00 22.23 N ATOM 1082 CZ ARG A 69 -0.445 18.960 0.522 1.00 51.44 C ATOM 1083 NH1 ARG A 69 -0.173 19.255 -0.707 1.00 45.41 N ATOM 1084 NH2 ARG A 69 0.512 18.646 1.332 1.00 70.44 N ATOM 0 H ARG A 69 -5.881 16.754 -0.391 1.00 45.52 H new ATOM 0 HA ARG A 69 -3.068 16.759 -0.609 1.00 3.44 H new ATOM 0 HB2 ARG A 69 -4.997 17.077 1.718 1.00 43.32 H new ATOM 0 HB3 ARG A 69 -3.262 17.214 1.924 1.00 43.32 H new ATOM 0 HG2 ARG A 69 -4.972 18.954 0.103 1.00 22.45 H new ATOM 0 HG3 ARG A 69 -4.337 19.425 1.667 1.00 22.45 H new ATOM 0 HD2 ARG A 69 -2.733 18.771 -0.838 1.00 14.31 H new ATOM 0 HD3 ARG A 69 -2.894 20.338 -0.069 1.00 14.31 H new ATOM 0 HE ARG A 69 -1.832 18.780 1.947 1.00 22.23 H new ATOM 0 HH11 ARG A 69 -0.924 19.507 -1.349 1.00 45.41 H new ATOM 0 HH12 ARG A 69 0.793 19.236 -1.034 1.00 45.41 H new ATOM 0 HH21 ARG A 69 0.303 18.416 2.303 1.00 70.44 H new ATOM 0 HH22 ARG A 69 1.476 18.628 1.000 1.00 70.44 H new ATOM 1098 N ASP A 70 -4.354 14.088 0.748 1.00 14.42 N ATOM 1099 CA ASP A 70 -4.051 12.723 1.191 1.00 21.41 C ATOM 1100 C ASP A 70 -3.095 12.005 0.217 1.00 52.45 C ATOM 1101 O ASP A 70 -2.235 11.229 0.636 1.00 63.54 O ATOM 1102 CB ASP A 70 -5.351 11.926 1.341 1.00 34.34 C ATOM 1103 CG ASP A 70 -6.288 12.546 2.362 1.00 44.11 C ATOM 1104 OD1 ASP A 70 -6.897 13.595 2.058 1.00 51.31 O ATOM 1105 OD2 ASP A 70 -6.422 11.992 3.471 1.00 4.32 O ATOM 0 H ASP A 70 -5.347 14.268 0.599 1.00 14.42 H new ATOM 0 HA ASP A 70 -3.549 12.787 2.156 1.00 21.41 H new ATOM 0 HB2 ASP A 70 -5.854 11.869 0.376 1.00 34.34 H new ATOM 0 HB3 ASP A 70 -5.117 10.904 1.639 1.00 34.34 H new ATOM 1110 N LEU A 71 -3.248 12.279 -1.082 1.00 41.33 N ATOM 1111 CA LEU A 71 -2.378 11.687 -2.108 1.00 43.41 C ATOM 1112 C LEU A 71 -0.938 12.211 -1.960 1.00 44.32 C ATOM 1113 O LEU A 71 0.011 11.431 -1.874 1.00 15.32 O ATOM 1114 CB LEU A 71 -2.936 11.991 -3.516 1.00 51.22 C ATOM 1115 CG LEU A 71 -2.352 11.161 -4.686 1.00 74.13 C ATOM 1116 CD1 LEU A 71 -3.249 11.267 -5.919 1.00 4.51 C ATOM 1117 CD2 LEU A 71 -0.931 11.605 -5.039 1.00 55.32 C ATOM 0 H LEU A 71 -3.964 12.905 -1.450 1.00 41.33 H new ATOM 0 HA LEU A 71 -2.358 10.606 -1.973 1.00 43.41 H new ATOM 0 HB2 LEU A 71 -4.015 11.839 -3.495 1.00 51.22 H new ATOM 0 HB3 LEU A 71 -2.767 13.047 -3.729 1.00 51.22 H new ATOM 0 HG LEU A 71 -2.311 10.122 -4.359 1.00 74.13 H new ATOM 0 HD11 LEU A 71 -2.823 10.678 -6.731 1.00 4.51 H new ATOM 0 HD12 LEU A 71 -4.243 10.889 -5.679 1.00 4.51 H new ATOM 0 HD13 LEU A 71 -3.322 12.310 -6.227 1.00 4.51 H new ATOM 0 HD21 LEU A 71 -0.555 11.000 -5.864 1.00 55.32 H new ATOM 0 HD22 LEU A 71 -0.940 12.654 -5.334 1.00 55.32 H new ATOM 0 HD23 LEU A 71 -0.284 11.478 -4.171 1.00 55.32 H new ATOM 1129 N ASP A 72 -0.787 13.536 -1.926 1.00 71.34 N ATOM 1130 CA ASP A 72 0.525 14.169 -1.737 1.00 4.11 C ATOM 1131 C ASP A 72 1.173 13.710 -0.420 1.00 11.41 C ATOM 1132 O ASP A 72 2.376 13.454 -0.352 1.00 74.43 O ATOM 1133 CB ASP A 72 0.376 15.692 -1.741 1.00 33.34 C ATOM 1134 CG ASP A 72 -0.303 16.199 -3.000 1.00 23.53 C ATOM 1135 OD1 ASP A 72 0.383 16.360 -4.031 1.00 23.23 O ATOM 1136 OD2 ASP A 72 -1.528 16.428 -2.972 1.00 62.41 O ATOM 0 H ASP A 72 -1.558 14.196 -2.027 1.00 71.34 H new ATOM 0 HA ASP A 72 1.172 13.867 -2.561 1.00 4.11 H new ATOM 0 HB2 ASP A 72 -0.201 16.001 -0.870 1.00 33.34 H new ATOM 0 HB3 ASP A 72 1.360 16.152 -1.651 1.00 33.34 H new ATOM 1141 N ARG A 73 0.353 13.601 0.620 1.00 4.44 N ATOM 1142 CA ARG A 73 0.807 13.150 1.938 1.00 11.30 C ATOM 1143 C ARG A 73 1.335 11.705 1.881 1.00 62.53 C ATOM 1144 O ARG A 73 2.421 11.402 2.394 1.00 25.11 O ATOM 1145 CB ARG A 73 -0.350 13.263 2.937 1.00 22.24 C ATOM 1146 CG ARG A 73 0.052 13.023 4.385 1.00 33.32 C ATOM 1147 CD ARG A 73 -1.108 13.276 5.342 1.00 22.33 C ATOM 1148 NE ARG A 73 -0.664 13.267 6.731 1.00 55.14 N ATOM 1149 CZ ARG A 73 -1.305 13.832 7.715 1.00 60.04 C ATOM 1150 NH1 ARG A 73 -2.469 14.368 7.532 1.00 35.24 N ATOM 1151 NH2 ARG A 73 -0.783 13.839 8.895 1.00 4.22 N ATOM 0 H ARG A 73 -0.642 13.821 0.577 1.00 4.44 H new ATOM 0 HA ARG A 73 1.631 13.786 2.263 1.00 11.30 H new ATOM 0 HB2 ARG A 73 -0.792 14.256 2.854 1.00 22.24 H new ATOM 0 HB3 ARG A 73 -1.124 12.546 2.663 1.00 22.24 H new ATOM 0 HG2 ARG A 73 0.402 11.997 4.500 1.00 33.32 H new ATOM 0 HG3 ARG A 73 0.886 13.675 4.644 1.00 33.32 H new ATOM 0 HD2 ARG A 73 -1.568 14.237 5.112 1.00 22.33 H new ATOM 0 HD3 ARG A 73 -1.873 12.513 5.198 1.00 22.33 H new ATOM 0 HE ARG A 73 0.209 12.785 6.947 1.00 55.14 H new ATOM 0 HH11 ARG A 73 -2.898 14.352 6.607 1.00 35.24 H new ATOM 0 HH12 ARG A 73 -2.957 14.806 8.313 1.00 35.24 H new ATOM 0 HH21 ARG A 73 0.126 13.404 9.053 1.00 4.22 H new ATOM 0 HH22 ARG A 73 -1.279 14.279 9.670 1.00 4.22 H new ATOM 1165 N GLN A 74 0.564 10.819 1.246 1.00 4.01 N ATOM 1166 CA GLN A 74 0.988 9.431 1.040 1.00 23.15 C ATOM 1167 C GLN A 74 2.269 9.382 0.193 1.00 25.04 C ATOM 1168 O GLN A 74 3.166 8.571 0.439 1.00 43.50 O ATOM 1169 CB GLN A 74 -0.128 8.627 0.353 1.00 40.43 C ATOM 1170 CG GLN A 74 0.172 7.136 0.245 1.00 1.23 C ATOM 1171 CD GLN A 74 -0.934 6.344 -0.430 1.00 12.21 C ATOM 1172 OE1 GLN A 74 -2.103 6.706 -0.374 1.00 1.55 O ATOM 1173 NE2 GLN A 74 -0.579 5.234 -1.051 1.00 44.53 N ATOM 0 H GLN A 74 -0.357 11.037 0.866 1.00 4.01 H new ATOM 0 HA GLN A 74 1.194 8.986 2.013 1.00 23.15 H new ATOM 0 HB2 GLN A 74 -1.056 8.763 0.908 1.00 40.43 H new ATOM 0 HB3 GLN A 74 -0.292 9.030 -0.647 1.00 40.43 H new ATOM 0 HG2 GLN A 74 1.099 6.999 -0.313 1.00 1.23 H new ATOM 0 HG3 GLN A 74 0.339 6.733 1.244 1.00 1.23 H new ATOM 0 HE21 GLN A 74 0.403 4.958 -1.081 1.00 44.53 H new ATOM 0 HE22 GLN A 74 -1.286 4.653 -1.501 1.00 44.53 H new ATOM 1182 N LYS A 75 2.344 10.266 -0.803 1.00 3.21 N ATOM 1183 CA LYS A 75 3.541 10.393 -1.637 1.00 1.43 C ATOM 1184 C LYS A 75 4.786 10.664 -0.782 1.00 32.32 C ATOM 1185 O LYS A 75 5.779 9.955 -0.888 1.00 4.50 O ATOM 1186 CB LYS A 75 3.373 11.520 -2.670 1.00 21.53 C ATOM 1187 CG LYS A 75 4.655 11.830 -3.440 1.00 11.12 C ATOM 1188 CD LYS A 75 4.500 13.026 -4.373 1.00 45.50 C ATOM 1189 CE LYS A 75 5.815 13.351 -5.075 1.00 12.03 C ATOM 1190 NZ LYS A 75 5.716 14.564 -5.927 1.00 73.34 N ATOM 0 H LYS A 75 1.589 10.905 -1.052 1.00 3.21 H new ATOM 0 HA LYS A 75 3.674 9.446 -2.161 1.00 1.43 H new ATOM 0 HB2 LYS A 75 2.591 11.242 -3.377 1.00 21.53 H new ATOM 0 HB3 LYS A 75 3.036 12.423 -2.161 1.00 21.53 H new ATOM 0 HG2 LYS A 75 5.461 12.027 -2.733 1.00 11.12 H new ATOM 0 HG3 LYS A 75 4.947 10.955 -4.021 1.00 11.12 H new ATOM 0 HD2 LYS A 75 3.731 12.814 -5.116 1.00 45.50 H new ATOM 0 HD3 LYS A 75 4.164 13.893 -3.804 1.00 45.50 H new ATOM 0 HE2 LYS A 75 6.596 13.497 -4.329 1.00 12.03 H new ATOM 0 HE3 LYS A 75 6.116 12.502 -5.689 1.00 12.03 H new ATOM 0 HZ1 LYS A 75 6.633 14.744 -6.383 1.00 73.34 H new ATOM 0 HZ2 LYS A 75 4.990 14.417 -6.657 1.00 73.34 H new ATOM 0 HZ3 LYS A 75 5.455 15.381 -5.339 1.00 73.34 H new ATOM 1204 N GLN A 76 4.720 11.692 0.068 1.00 43.43 N ATOM 1205 CA GLN A 76 5.853 12.058 0.934 1.00 74.55 C ATOM 1206 C GLN A 76 6.340 10.861 1.766 1.00 71.30 C ATOM 1207 O GLN A 76 7.543 10.688 1.983 1.00 40.14 O ATOM 1208 CB GLN A 76 5.469 13.225 1.858 1.00 71.14 C ATOM 1209 CG GLN A 76 5.080 14.498 1.114 1.00 22.14 C ATOM 1210 CD GLN A 76 6.164 14.976 0.161 1.00 41.23 C ATOM 1211 OE1 GLN A 76 6.189 14.610 -1.009 1.00 64.35 O ATOM 1212 NE2 GLN A 76 7.076 15.787 0.654 1.00 34.02 N ATOM 0 H GLN A 76 3.898 12.286 0.178 1.00 43.43 H new ATOM 0 HA GLN A 76 6.673 12.371 0.287 1.00 74.55 H new ATOM 0 HB2 GLN A 76 4.637 12.916 2.490 1.00 71.14 H new ATOM 0 HB3 GLN A 76 6.308 13.444 2.519 1.00 71.14 H new ATOM 0 HG2 GLN A 76 4.162 14.320 0.554 1.00 22.14 H new ATOM 0 HG3 GLN A 76 4.865 15.285 1.837 1.00 22.14 H new ATOM 0 HE21 GLN A 76 7.028 16.074 1.632 1.00 34.02 H new ATOM 0 HE22 GLN A 76 7.830 16.129 0.058 1.00 34.02 H new ATOM 1221 N LYS A 77 5.396 10.046 2.229 1.00 54.44 N ATOM 1222 CA LYS A 77 5.721 8.798 2.933 1.00 75.42 C ATOM 1223 C LYS A 77 6.557 7.858 2.039 1.00 64.54 C ATOM 1224 O LYS A 77 7.605 7.358 2.448 1.00 11.50 O ATOM 1225 CB LYS A 77 4.421 8.096 3.364 1.00 75.42 C ATOM 1226 CG LYS A 77 3.609 8.815 4.451 1.00 45.31 C ATOM 1227 CD LYS A 77 4.106 8.532 5.879 1.00 73.23 C ATOM 1228 CE LYS A 77 5.498 9.083 6.167 1.00 63.54 C ATOM 1229 NZ LYS A 77 5.906 8.838 7.577 1.00 70.01 N ATOM 0 H LYS A 77 4.396 10.224 2.132 1.00 54.44 H new ATOM 0 HA LYS A 77 6.314 9.042 3.814 1.00 75.42 H new ATOM 0 HB2 LYS A 77 3.788 7.971 2.485 1.00 75.42 H new ATOM 0 HB3 LYS A 77 4.670 7.097 3.722 1.00 75.42 H new ATOM 0 HG2 LYS A 77 3.645 9.889 4.269 1.00 45.31 H new ATOM 0 HG3 LYS A 77 2.565 8.513 4.372 1.00 45.31 H new ATOM 0 HD2 LYS A 77 3.401 8.962 6.591 1.00 73.23 H new ATOM 0 HD3 LYS A 77 4.110 7.455 6.045 1.00 73.23 H new ATOM 0 HE2 LYS A 77 6.219 8.620 5.494 1.00 63.54 H new ATOM 0 HE3 LYS A 77 5.515 10.154 5.964 1.00 63.54 H new ATOM 0 HZ1 LYS A 77 6.858 9.226 7.736 1.00 70.01 H new ATOM 0 HZ2 LYS A 77 5.232 9.301 8.219 1.00 70.01 H new ATOM 0 HZ3 LYS A 77 5.914 7.815 7.763 1.00 70.01 H new ATOM 1243 N LEU A 78 6.087 7.640 0.812 1.00 42.51 N ATOM 1244 CA LEU A 78 6.765 6.756 -0.152 1.00 44.32 C ATOM 1245 C LEU A 78 8.133 7.321 -0.590 1.00 62.21 C ATOM 1246 O LEU A 78 9.134 6.599 -0.634 1.00 22.52 O ATOM 1247 CB LEU A 78 5.856 6.546 -1.369 1.00 44.13 C ATOM 1248 CG LEU A 78 4.540 5.802 -1.078 1.00 50.44 C ATOM 1249 CD1 LEU A 78 3.579 5.917 -2.256 1.00 53.21 C ATOM 1250 CD2 LEU A 78 4.815 4.336 -0.755 1.00 35.54 C ATOM 0 H LEU A 78 5.232 8.065 0.454 1.00 42.51 H new ATOM 0 HA LEU A 78 6.957 5.800 0.336 1.00 44.32 H new ATOM 0 HB2 LEU A 78 5.618 7.519 -1.798 1.00 44.13 H new ATOM 0 HB3 LEU A 78 6.410 5.991 -2.126 1.00 44.13 H new ATOM 0 HG LEU A 78 4.072 6.267 -0.210 1.00 50.44 H new ATOM 0 HD11 LEU A 78 2.657 5.383 -2.027 1.00 53.21 H new ATOM 0 HD12 LEU A 78 3.354 6.967 -2.441 1.00 53.21 H new ATOM 0 HD13 LEU A 78 4.038 5.482 -3.144 1.00 53.21 H new ATOM 0 HD21 LEU A 78 3.874 3.825 -0.552 1.00 35.54 H new ATOM 0 HD22 LEU A 78 5.309 3.863 -1.604 1.00 35.54 H new ATOM 0 HD23 LEU A 78 5.459 4.271 0.122 1.00 35.54 H new ATOM 1262 N GLU A 79 8.163 8.613 -0.914 1.00 5.12 N ATOM 1263 CA GLU A 79 9.407 9.316 -1.259 1.00 71.32 C ATOM 1264 C GLU A 79 10.469 9.135 -0.160 1.00 13.22 C ATOM 1265 O GLU A 79 11.670 9.091 -0.440 1.00 43.14 O ATOM 1266 CB GLU A 79 9.126 10.815 -1.466 1.00 74.21 C ATOM 1267 CG GLU A 79 8.258 11.141 -2.686 1.00 64.45 C ATOM 1268 CD GLU A 79 9.004 11.042 -4.015 1.00 43.23 C ATOM 1269 OE1 GLU A 79 10.233 11.279 -4.037 1.00 0.44 O ATOM 1270 OE2 GLU A 79 8.358 10.761 -5.049 1.00 73.33 O ATOM 0 H GLU A 79 7.332 9.203 -0.946 1.00 5.12 H new ATOM 0 HA GLU A 79 9.792 8.887 -2.184 1.00 71.32 H new ATOM 0 HB2 GLU A 79 8.636 11.206 -0.574 1.00 74.21 H new ATOM 0 HB3 GLU A 79 10.077 11.339 -1.563 1.00 74.21 H new ATOM 0 HG2 GLU A 79 7.406 10.462 -2.706 1.00 64.45 H new ATOM 0 HG3 GLU A 79 7.859 12.150 -2.578 1.00 64.45 H new ATOM 1277 N ALA A 80 10.015 9.020 1.089 1.00 0.04 N ATOM 1278 CA ALA A 80 10.912 8.790 2.225 1.00 75.20 C ATOM 1279 C ALA A 80 11.612 7.422 2.129 1.00 10.35 C ATOM 1280 O ALA A 80 12.740 7.255 2.599 1.00 11.04 O ATOM 1281 CB ALA A 80 10.140 8.904 3.535 1.00 33.03 C ATOM 0 H ALA A 80 9.029 9.082 1.341 1.00 0.04 H new ATOM 0 HA ALA A 80 11.687 9.557 2.200 1.00 75.20 H new ATOM 0 HB1 ALA A 80 10.816 8.731 4.372 1.00 33.03 H new ATOM 0 HB2 ALA A 80 9.708 9.901 3.617 1.00 33.03 H new ATOM 0 HB3 ALA A 80 9.343 8.161 3.553 1.00 33.03 H new ATOM 1287 N GLU A 81 10.942 6.443 1.519 1.00 15.31 N ATOM 1288 CA GLU A 81 11.520 5.102 1.343 1.00 74.52 C ATOM 1289 C GLU A 81 12.316 4.997 0.031 1.00 1.14 C ATOM 1290 O GLU A 81 12.913 3.960 -0.266 1.00 11.45 O ATOM 1291 CB GLU A 81 10.420 4.027 1.361 1.00 3.14 C ATOM 1292 CG GLU A 81 9.460 4.139 2.545 1.00 74.34 C ATOM 1293 CD GLU A 81 8.734 2.833 2.857 1.00 63.45 C ATOM 1294 OE1 GLU A 81 8.235 2.172 1.925 1.00 63.53 O ATOM 1295 OE2 GLU A 81 8.670 2.460 4.048 1.00 14.11 O ATOM 0 H GLU A 81 10.002 6.549 1.138 1.00 15.31 H new ATOM 0 HA GLU A 81 12.202 4.935 2.177 1.00 74.52 H new ATOM 0 HB2 GLU A 81 9.848 4.092 0.435 1.00 3.14 H new ATOM 0 HB3 GLU A 81 10.888 3.043 1.378 1.00 3.14 H new ATOM 0 HG2 GLU A 81 10.016 4.457 3.427 1.00 74.34 H new ATOM 0 HG3 GLU A 81 8.724 4.915 2.335 1.00 74.34 H new ATOM 1302 N GLY A 82 12.325 6.078 -0.748 1.00 70.31 N ATOM 1303 CA GLY A 82 12.998 6.074 -2.045 1.00 42.02 C ATOM 1304 C GLY A 82 12.067 5.702 -3.198 1.00 65.51 C ATOM 1305 O GLY A 82 12.521 5.415 -4.307 1.00 34.14 O ATOM 0 H GLY A 82 11.877 6.962 -0.505 1.00 70.31 H new ATOM 0 HA2 GLY A 82 13.422 7.061 -2.231 1.00 42.02 H new ATOM 0 HA3 GLY A 82 13.830 5.370 -2.015 1.00 42.02 H new ATOM 1309 N ILE A 83 10.762 5.709 -2.933 1.00 52.44 N ATOM 1310 CA ILE A 83 9.760 5.361 -3.945 1.00 51.24 C ATOM 1311 C ILE A 83 9.272 6.611 -4.696 1.00 45.22 C ATOM 1312 O ILE A 83 8.528 7.425 -4.146 1.00 14.44 O ATOM 1313 CB ILE A 83 8.550 4.637 -3.300 1.00 64.35 C ATOM 1314 CG1 ILE A 83 9.031 3.407 -2.505 1.00 54.00 C ATOM 1315 CG2 ILE A 83 7.527 4.235 -4.366 1.00 24.31 C ATOM 1316 CD1 ILE A 83 7.928 2.677 -1.768 1.00 52.32 C ATOM 0 H ILE A 83 10.370 5.952 -2.023 1.00 52.44 H new ATOM 0 HA ILE A 83 10.238 4.688 -4.657 1.00 51.24 H new ATOM 0 HB ILE A 83 8.059 5.324 -2.610 1.00 64.35 H new ATOM 0 HG12 ILE A 83 9.517 2.712 -3.190 1.00 54.00 H new ATOM 0 HG13 ILE A 83 9.785 3.725 -1.785 1.00 54.00 H new ATOM 0 HG21 ILE A 83 6.687 3.729 -3.891 1.00 24.31 H new ATOM 0 HG22 ILE A 83 7.169 5.126 -4.882 1.00 24.31 H new ATOM 0 HG23 ILE A 83 7.996 3.563 -5.085 1.00 24.31 H new ATOM 0 HD11 ILE A 83 8.349 1.825 -1.234 1.00 52.32 H new ATOM 0 HD12 ILE A 83 7.456 3.354 -1.056 1.00 52.32 H new ATOM 0 HD13 ILE A 83 7.184 2.326 -2.483 1.00 52.32 H new ATOM 1328 N GLU A 84 9.703 6.757 -5.947 1.00 24.21 N ATOM 1329 CA GLU A 84 9.314 7.906 -6.771 1.00 1.12 C ATOM 1330 C GLU A 84 7.852 7.808 -7.232 1.00 71.50 C ATOM 1331 O GLU A 84 7.488 6.928 -8.019 1.00 23.21 O ATOM 1332 CB GLU A 84 10.234 8.018 -7.994 1.00 41.12 C ATOM 1333 CG GLU A 84 9.838 9.136 -8.955 1.00 64.54 C ATOM 1334 CD GLU A 84 10.732 9.216 -10.183 1.00 51.14 C ATOM 1335 OE1 GLU A 84 10.429 8.547 -11.198 1.00 34.21 O ATOM 1336 OE2 GLU A 84 11.726 9.973 -10.154 1.00 3.43 O ATOM 0 H GLU A 84 10.322 6.095 -6.415 1.00 24.21 H new ATOM 0 HA GLU A 84 9.414 8.799 -6.154 1.00 1.12 H new ATOM 0 HB2 GLU A 84 11.256 8.186 -7.655 1.00 41.12 H new ATOM 0 HB3 GLU A 84 10.228 7.069 -8.531 1.00 41.12 H new ATOM 0 HG2 GLU A 84 8.807 8.984 -9.274 1.00 64.54 H new ATOM 0 HG3 GLU A 84 9.871 10.089 -8.427 1.00 64.54 H new ATOM 1343 N VAL A 85 7.019 8.719 -6.742 1.00 53.44 N ATOM 1344 CA VAL A 85 5.609 8.767 -7.134 1.00 13.41 C ATOM 1345 C VAL A 85 5.357 9.873 -8.170 1.00 12.14 C ATOM 1346 O VAL A 85 5.619 11.052 -7.917 1.00 43.15 O ATOM 1347 CB VAL A 85 4.690 9.009 -5.911 1.00 41.33 C ATOM 1348 CG1 VAL A 85 3.215 8.949 -6.310 1.00 11.20 C ATOM 1349 CG2 VAL A 85 5.000 8.013 -4.794 1.00 25.31 C ATOM 0 H VAL A 85 7.293 9.437 -6.071 1.00 53.44 H new ATOM 0 HA VAL A 85 5.373 7.798 -7.574 1.00 13.41 H new ATOM 0 HB VAL A 85 4.889 10.012 -5.533 1.00 41.33 H new ATOM 0 HG11 VAL A 85 2.593 9.122 -5.432 1.00 11.20 H new ATOM 0 HG12 VAL A 85 3.009 9.715 -7.058 1.00 11.20 H new ATOM 0 HG13 VAL A 85 2.990 7.967 -6.726 1.00 11.20 H new ATOM 0 HG21 VAL A 85 4.343 8.202 -3.945 1.00 25.31 H new ATOM 0 HG22 VAL A 85 4.841 6.998 -5.157 1.00 25.31 H new ATOM 0 HG23 VAL A 85 6.038 8.128 -4.482 1.00 25.31 H new ATOM 1359 N SER A 86 4.849 9.486 -9.337 1.00 54.54 N ATOM 1360 CA SER A 86 4.524 10.447 -10.401 1.00 13.32 C ATOM 1361 C SER A 86 3.364 11.355 -9.976 1.00 14.24 C ATOM 1362 O SER A 86 2.421 10.893 -9.333 1.00 71.35 O ATOM 1363 CB SER A 86 4.156 9.707 -11.692 1.00 60.40 C ATOM 1364 OG SER A 86 5.175 8.796 -12.076 1.00 54.33 O ATOM 0 H SER A 86 4.651 8.514 -9.575 1.00 54.54 H new ATOM 0 HA SER A 86 5.404 11.064 -10.581 1.00 13.32 H new ATOM 0 HB2 SER A 86 3.219 9.168 -11.550 1.00 60.40 H new ATOM 0 HB3 SER A 86 3.991 10.429 -12.492 1.00 60.40 H new ATOM 0 HG SER A 86 5.433 8.967 -13.006 1.00 54.33 H new ATOM 1370 N GLU A 87 3.428 12.633 -10.362 1.00 45.44 N ATOM 1371 CA GLU A 87 2.453 13.650 -9.918 1.00 31.24 C ATOM 1372 C GLU A 87 0.987 13.246 -10.178 1.00 15.00 C ATOM 1373 O GLU A 87 0.080 13.746 -9.518 1.00 2.31 O ATOM 1374 CB GLU A 87 2.756 15.003 -10.583 1.00 5.50 C ATOM 1375 CG GLU A 87 2.775 14.960 -12.109 1.00 23.13 C ATOM 1376 CD GLU A 87 3.045 16.321 -12.739 1.00 43.23 C ATOM 1377 OE1 GLU A 87 4.207 16.782 -12.698 1.00 25.35 O ATOM 1378 OE2 GLU A 87 2.097 16.938 -13.272 1.00 63.13 O ATOM 0 H GLU A 87 4.149 12.996 -10.986 1.00 45.44 H new ATOM 0 HA GLU A 87 2.565 13.735 -8.837 1.00 31.24 H new ATOM 0 HB2 GLU A 87 2.010 15.729 -10.260 1.00 5.50 H new ATOM 0 HB3 GLU A 87 3.723 15.361 -10.229 1.00 5.50 H new ATOM 0 HG2 GLU A 87 3.539 14.255 -12.438 1.00 23.13 H new ATOM 0 HG3 GLU A 87 1.818 14.583 -12.468 1.00 23.13 H new ATOM 1385 N ILE A 88 0.758 12.345 -11.134 1.00 34.21 N ATOM 1386 CA ILE A 88 -0.600 11.840 -11.408 1.00 3.23 C ATOM 1387 C ILE A 88 -1.021 10.736 -10.413 1.00 73.52 C ATOM 1388 O ILE A 88 -2.072 10.109 -10.571 1.00 71.43 O ATOM 1389 CB ILE A 88 -0.712 11.286 -12.852 1.00 43.53 C ATOM 1390 CG1 ILE A 88 0.267 10.118 -13.059 1.00 22.11 C ATOM 1391 CG2 ILE A 88 -0.451 12.398 -13.868 1.00 42.12 C ATOM 1392 CD1 ILE A 88 0.175 9.474 -14.427 1.00 15.52 C ATOM 0 H ILE A 88 1.484 11.949 -11.730 1.00 34.21 H new ATOM 0 HA ILE A 88 -1.272 12.690 -11.290 1.00 3.23 H new ATOM 0 HB ILE A 88 -1.724 10.912 -13.004 1.00 43.53 H new ATOM 0 HG12 ILE A 88 1.284 10.478 -12.906 1.00 22.11 H new ATOM 0 HG13 ILE A 88 0.079 9.360 -12.298 1.00 22.11 H new ATOM 0 HG21 ILE A 88 -0.533 11.995 -14.877 1.00 42.12 H new ATOM 0 HG22 ILE A 88 -1.185 13.193 -13.734 1.00 42.12 H new ATOM 0 HG23 ILE A 88 0.551 12.800 -13.718 1.00 42.12 H new ATOM 0 HD11 ILE A 88 0.896 8.660 -14.495 1.00 15.52 H new ATOM 0 HD12 ILE A 88 -0.831 9.082 -14.578 1.00 15.52 H new ATOM 0 HD13 ILE A 88 0.393 10.217 -15.194 1.00 15.52 H new ATOM 1404 N GLY A 89 -0.198 10.519 -9.386 1.00 25.23 N ATOM 1405 CA GLY A 89 -0.455 9.473 -8.400 1.00 12.42 C ATOM 1406 C GLY A 89 -0.005 8.086 -8.858 1.00 43.54 C ATOM 1407 O GLY A 89 -0.528 7.074 -8.393 1.00 2.12 O ATOM 0 H GLY A 89 0.653 11.055 -9.217 1.00 25.23 H new ATOM 0 HA2 GLY A 89 0.057 9.725 -7.471 1.00 12.42 H new ATOM 0 HA3 GLY A 89 -1.522 9.446 -8.179 1.00 12.42 H new ATOM 1411 N LYS A 90 0.988 8.036 -9.748 1.00 30.33 N ATOM 1412 CA LYS A 90 1.420 6.767 -10.361 1.00 42.15 C ATOM 1413 C LYS A 90 2.651 6.164 -9.664 1.00 24.22 C ATOM 1414 O LYS A 90 3.630 6.860 -9.387 1.00 63.31 O ATOM 1415 CB LYS A 90 1.729 6.972 -11.852 1.00 5.25 C ATOM 1416 CG LYS A 90 2.235 5.716 -12.562 1.00 50.23 C ATOM 1417 CD LYS A 90 2.561 5.974 -14.033 1.00 33.23 C ATOM 1418 CE LYS A 90 3.719 6.956 -14.206 1.00 72.13 C ATOM 1419 NZ LYS A 90 4.997 6.431 -13.647 1.00 31.50 N ATOM 0 H LYS A 90 1.510 8.854 -10.063 1.00 30.33 H new ATOM 0 HA LYS A 90 0.594 6.065 -10.243 1.00 42.15 H new ATOM 0 HB2 LYS A 90 0.827 7.322 -12.354 1.00 5.25 H new ATOM 0 HB3 LYS A 90 2.476 7.759 -11.953 1.00 5.25 H new ATOM 0 HG2 LYS A 90 3.126 5.348 -12.054 1.00 50.23 H new ATOM 0 HG3 LYS A 90 1.481 4.932 -12.491 1.00 50.23 H new ATOM 0 HD2 LYS A 90 2.812 5.031 -14.518 1.00 33.23 H new ATOM 0 HD3 LYS A 90 1.677 6.366 -14.536 1.00 33.23 H new ATOM 0 HE2 LYS A 90 3.852 7.174 -15.266 1.00 72.13 H new ATOM 0 HE3 LYS A 90 3.470 7.897 -13.715 1.00 72.13 H new ATOM 0 HZ1 LYS A 90 5.330 7.062 -12.890 1.00 31.50 H new ATOM 0 HZ2 LYS A 90 4.841 5.478 -13.261 1.00 31.50 H new ATOM 0 HZ3 LYS A 90 5.713 6.387 -14.400 1.00 31.50 H new ATOM 1433 N ILE A 91 2.595 4.857 -9.406 1.00 74.15 N ATOM 1434 CA ILE A 91 3.725 4.114 -8.838 1.00 62.21 C ATOM 1435 C ILE A 91 4.100 2.929 -9.747 1.00 13.52 C ATOM 1436 O ILE A 91 3.344 1.960 -9.862 1.00 51.51 O ATOM 1437 CB ILE A 91 3.401 3.581 -7.419 1.00 14.44 C ATOM 1438 CG1 ILE A 91 2.978 4.733 -6.491 1.00 20.51 C ATOM 1439 CG2 ILE A 91 4.602 2.833 -6.837 1.00 54.01 C ATOM 1440 CD1 ILE A 91 2.567 4.282 -5.105 1.00 43.24 C ATOM 0 H ILE A 91 1.770 4.284 -9.583 1.00 74.15 H new ATOM 0 HA ILE A 91 4.564 4.806 -8.767 1.00 62.21 H new ATOM 0 HB ILE A 91 2.568 2.882 -7.498 1.00 14.44 H new ATOM 0 HG12 ILE A 91 3.804 5.438 -6.403 1.00 20.51 H new ATOM 0 HG13 ILE A 91 2.148 5.270 -6.949 1.00 20.51 H new ATOM 0 HG21 ILE A 91 4.355 2.467 -5.841 1.00 54.01 H new ATOM 0 HG22 ILE A 91 4.853 1.990 -7.481 1.00 54.01 H new ATOM 0 HG23 ILE A 91 5.455 3.508 -6.774 1.00 54.01 H new ATOM 0 HD11 ILE A 91 2.283 5.150 -4.510 1.00 43.24 H new ATOM 0 HD12 ILE A 91 1.720 3.600 -5.181 1.00 43.24 H new ATOM 0 HD13 ILE A 91 3.402 3.771 -4.626 1.00 43.24 H new ATOM 1452 N ALA A 92 5.256 3.017 -10.398 1.00 35.32 N ATOM 1453 CA ALA A 92 5.712 1.968 -11.319 1.00 54.35 C ATOM 1454 C ALA A 92 5.934 0.616 -10.609 1.00 32.11 C ATOM 1455 O ALA A 92 6.997 0.367 -10.030 1.00 71.43 O ATOM 1456 CB ALA A 92 6.987 2.417 -12.024 1.00 34.40 C ATOM 0 H ALA A 92 5.899 3.804 -10.308 1.00 35.32 H new ATOM 0 HA ALA A 92 4.923 1.812 -12.055 1.00 54.35 H new ATOM 0 HB1 ALA A 92 7.320 1.635 -12.706 1.00 34.40 H new ATOM 0 HB2 ALA A 92 6.790 3.329 -12.587 1.00 34.40 H new ATOM 0 HB3 ALA A 92 7.764 2.609 -11.284 1.00 34.40 H new ATOM 1462 N LEU A 93 4.925 -0.253 -10.662 1.00 55.11 N ATOM 1463 CA LEU A 93 4.999 -1.580 -10.033 1.00 21.42 C ATOM 1464 C LEU A 93 6.143 -2.425 -10.614 1.00 1.33 C ATOM 1465 O LEU A 93 6.759 -3.213 -9.905 1.00 42.25 O ATOM 1466 CB LEU A 93 3.665 -2.329 -10.187 1.00 15.32 C ATOM 1467 CG LEU A 93 2.467 -1.694 -9.463 1.00 73.33 C ATOM 1468 CD1 LEU A 93 1.205 -2.533 -9.662 1.00 22.12 C ATOM 1469 CD2 LEU A 93 2.766 -1.518 -7.976 1.00 52.25 C ATOM 0 H LEU A 93 4.041 -0.065 -11.135 1.00 55.11 H new ATOM 0 HA LEU A 93 5.202 -1.423 -8.974 1.00 21.42 H new ATOM 0 HB2 LEU A 93 3.429 -2.403 -11.249 1.00 15.32 H new ATOM 0 HB3 LEU A 93 3.794 -3.346 -9.818 1.00 15.32 H new ATOM 0 HG LEU A 93 2.293 -0.709 -9.896 1.00 73.33 H new ATOM 0 HD11 LEU A 93 0.370 -2.064 -9.141 1.00 22.12 H new ATOM 0 HD12 LEU A 93 0.977 -2.600 -10.726 1.00 22.12 H new ATOM 0 HD13 LEU A 93 1.367 -3.534 -9.262 1.00 22.12 H new ATOM 0 HD21 LEU A 93 1.905 -1.067 -7.483 1.00 52.25 H new ATOM 0 HD22 LEU A 93 2.972 -2.490 -7.529 1.00 52.25 H new ATOM 0 HD23 LEU A 93 3.634 -0.871 -7.854 1.00 52.25 H new ATOM 1481 N ARG A 94 6.435 -2.244 -11.900 1.00 63.00 N ATOM 1482 CA ARG A 94 7.512 -2.990 -12.569 1.00 0.45 C ATOM 1483 C ARG A 94 8.846 -2.901 -11.804 1.00 71.23 C ATOM 1484 O ARG A 94 9.655 -3.831 -11.837 1.00 72.02 O ATOM 1485 CB ARG A 94 7.706 -2.475 -14.001 1.00 52.25 C ATOM 1486 CG ARG A 94 6.560 -2.816 -14.952 1.00 44.04 C ATOM 1487 CD ARG A 94 6.410 -4.326 -15.142 1.00 14.32 C ATOM 1488 NE ARG A 94 7.679 -4.955 -15.508 1.00 74.42 N ATOM 1489 CZ ARG A 94 8.068 -5.182 -16.735 1.00 72.15 C ATOM 1490 NH1 ARG A 94 7.300 -4.887 -17.736 1.00 50.02 N ATOM 1491 NH2 ARG A 94 9.231 -5.705 -16.951 1.00 34.12 N ATOM 0 H ARG A 94 5.943 -1.587 -12.505 1.00 63.00 H new ATOM 0 HA ARG A 94 7.209 -4.037 -12.590 1.00 0.45 H new ATOM 0 HB2 ARG A 94 7.829 -1.392 -13.972 1.00 52.25 H new ATOM 0 HB3 ARG A 94 8.631 -2.890 -14.402 1.00 52.25 H new ATOM 0 HG2 ARG A 94 5.629 -2.405 -14.562 1.00 44.04 H new ATOM 0 HG3 ARG A 94 6.737 -2.344 -15.918 1.00 44.04 H new ATOM 0 HD2 ARG A 94 6.035 -4.773 -14.221 1.00 14.32 H new ATOM 0 HD3 ARG A 94 5.669 -4.523 -15.917 1.00 14.32 H new ATOM 0 HE ARG A 94 8.304 -5.236 -14.753 1.00 74.42 H new ATOM 0 HH11 ARG A 94 6.382 -4.474 -17.570 1.00 50.02 H new ATOM 0 HH12 ARG A 94 7.613 -5.068 -18.690 1.00 50.02 H new ATOM 0 HH21 ARG A 94 9.839 -5.938 -16.166 1.00 34.12 H new ATOM 0 HH22 ARG A 94 9.540 -5.884 -17.906 1.00 34.12 H new ATOM 1505 N LYS A 95 9.072 -1.782 -11.118 1.00 11.52 N ATOM 1506 CA LYS A 95 10.321 -1.572 -10.373 1.00 2.53 C ATOM 1507 C LYS A 95 10.091 -1.537 -8.847 1.00 62.04 C ATOM 1508 O LYS A 95 11.024 -1.741 -8.071 1.00 71.11 O ATOM 1509 CB LYS A 95 10.998 -0.278 -10.851 1.00 34.51 C ATOM 1510 CG LYS A 95 10.181 0.983 -10.597 1.00 12.44 C ATOM 1511 CD LYS A 95 10.742 2.214 -11.317 1.00 22.21 C ATOM 1512 CE LYS A 95 12.187 2.531 -10.929 1.00 63.32 C ATOM 1513 NZ LYS A 95 13.173 1.674 -11.643 1.00 24.32 N ATOM 0 H LYS A 95 8.412 -1.007 -11.060 1.00 11.52 H new ATOM 0 HA LYS A 95 10.977 -2.419 -10.573 1.00 2.53 H new ATOM 0 HB2 LYS A 95 11.962 -0.180 -10.352 1.00 34.51 H new ATOM 0 HB3 LYS A 95 11.198 -0.359 -11.919 1.00 34.51 H new ATOM 0 HG2 LYS A 95 9.154 0.816 -10.921 1.00 12.44 H new ATOM 0 HG3 LYS A 95 10.149 1.179 -9.525 1.00 12.44 H new ATOM 0 HD2 LYS A 95 10.688 2.053 -12.394 1.00 22.21 H new ATOM 0 HD3 LYS A 95 10.114 3.076 -11.092 1.00 22.21 H new ATOM 0 HE2 LYS A 95 12.396 3.578 -11.147 1.00 63.32 H new ATOM 0 HE3 LYS A 95 12.308 2.399 -9.854 1.00 63.32 H new ATOM 0 HZ1 LYS A 95 13.619 1.021 -10.967 1.00 24.32 H new ATOM 0 HZ2 LYS A 95 12.687 1.128 -12.382 1.00 24.32 H new ATOM 0 HZ3 LYS A 95 13.903 2.273 -12.079 1.00 24.32 H new ATOM 1527 N TYR A 96 8.853 -1.280 -8.414 1.00 13.42 N ATOM 1528 CA TYR A 96 8.532 -1.225 -6.975 1.00 23.32 C ATOM 1529 C TYR A 96 7.673 -2.414 -6.513 1.00 13.41 C ATOM 1530 O TYR A 96 7.119 -2.391 -5.412 1.00 3.21 O ATOM 1531 CB TYR A 96 7.821 0.091 -6.638 1.00 21.21 C ATOM 1532 CG TYR A 96 8.691 1.317 -6.836 1.00 50.31 C ATOM 1533 CD1 TYR A 96 9.824 1.517 -6.053 1.00 2.44 C ATOM 1534 CD2 TYR A 96 8.385 2.269 -7.802 1.00 24.42 C ATOM 1535 CE1 TYR A 96 10.623 2.628 -6.226 1.00 2.12 C ATOM 1536 CE2 TYR A 96 9.180 3.385 -7.980 1.00 25.24 C ATOM 1537 CZ TYR A 96 10.298 3.559 -7.189 1.00 12.14 C ATOM 1538 OH TYR A 96 11.098 4.667 -7.367 1.00 64.03 O ATOM 0 H TYR A 96 8.059 -1.107 -9.030 1.00 13.42 H new ATOM 0 HA TYR A 96 9.479 -1.281 -6.439 1.00 23.32 H new ATOM 0 HB2 TYR A 96 6.930 0.183 -7.260 1.00 21.21 H new ATOM 0 HB3 TYR A 96 7.484 0.058 -5.602 1.00 21.21 H new ATOM 0 HD1 TYR A 96 10.082 0.790 -5.297 1.00 2.44 H new ATOM 0 HD2 TYR A 96 7.512 2.134 -8.423 1.00 24.42 H new ATOM 0 HE1 TYR A 96 11.499 2.768 -5.610 1.00 2.12 H new ATOM 0 HE2 TYR A 96 8.928 4.117 -8.733 1.00 25.24 H new ATOM 0 HH TYR A 96 11.058 4.952 -8.304 1.00 64.03 H new ATOM 1548 N LYS A 97 7.572 -3.448 -7.342 1.00 61.13 N ATOM 1549 CA LYS A 97 6.796 -4.649 -6.995 1.00 64.41 C ATOM 1550 C LYS A 97 7.380 -5.380 -5.774 1.00 11.13 C ATOM 1551 O LYS A 97 8.593 -5.578 -5.666 1.00 11.21 O ATOM 1552 CB LYS A 97 6.730 -5.615 -8.189 1.00 33.13 C ATOM 1553 CG LYS A 97 8.094 -6.120 -8.659 1.00 21.12 C ATOM 1554 CD LYS A 97 7.973 -7.136 -9.792 1.00 31.35 C ATOM 1555 CE LYS A 97 9.334 -7.707 -10.177 1.00 63.44 C ATOM 1556 NZ LYS A 97 9.231 -8.747 -11.235 1.00 62.34 N ATOM 0 H LYS A 97 8.015 -3.485 -8.260 1.00 61.13 H new ATOM 0 HA LYS A 97 5.790 -4.315 -6.740 1.00 64.41 H new ATOM 0 HB2 LYS A 97 6.112 -6.470 -7.917 1.00 33.13 H new ATOM 0 HB3 LYS A 97 6.233 -5.115 -9.020 1.00 33.13 H new ATOM 0 HG2 LYS A 97 8.697 -5.276 -8.993 1.00 21.12 H new ATOM 0 HG3 LYS A 97 8.620 -6.575 -7.820 1.00 21.12 H new ATOM 0 HD2 LYS A 97 7.310 -7.946 -9.487 1.00 31.35 H new ATOM 0 HD3 LYS A 97 7.517 -6.661 -10.661 1.00 31.35 H new ATOM 0 HE2 LYS A 97 9.979 -6.900 -10.525 1.00 63.44 H new ATOM 0 HE3 LYS A 97 9.809 -8.136 -9.294 1.00 63.44 H new ATOM 0 HZ1 LYS A 97 10.180 -9.105 -11.463 1.00 62.34 H new ATOM 0 HZ2 LYS A 97 8.638 -9.531 -10.895 1.00 62.34 H new ATOM 0 HZ3 LYS A 97 8.803 -8.333 -12.088 1.00 62.34 H new ATOM 1570 N TRP A 98 6.505 -5.776 -4.855 1.00 33.03 N ATOM 1571 CA TRP A 98 6.905 -6.570 -3.693 1.00 63.23 C ATOM 1572 C TRP A 98 7.178 -8.029 -4.100 1.00 71.53 C ATOM 1573 O TRP A 98 6.500 -8.582 -4.970 1.00 21.44 O ATOM 1574 CB TRP A 98 5.810 -6.502 -2.612 1.00 52.24 C ATOM 1575 CG TRP A 98 6.120 -7.268 -1.350 1.00 32.31 C ATOM 1576 CD1 TRP A 98 7.353 -7.563 -0.843 1.00 53.33 C ATOM 1577 CD2 TRP A 98 5.172 -7.816 -0.426 1.00 13.13 C ATOM 1578 NE1 TRP A 98 7.229 -8.274 0.325 1.00 24.35 N ATOM 1579 CE2 TRP A 98 5.902 -8.439 0.604 1.00 32.52 C ATOM 1580 CE3 TRP A 98 3.778 -7.842 -0.372 1.00 11.02 C ATOM 1581 CZ2 TRP A 98 5.283 -9.077 1.674 1.00 31.11 C ATOM 1582 CZ3 TRP A 98 3.165 -8.477 0.689 1.00 24.44 C ATOM 1583 CH2 TRP A 98 3.919 -9.088 1.701 1.00 23.52 C ATOM 0 H TRP A 98 5.509 -5.560 -4.891 1.00 33.03 H new ATOM 0 HA TRP A 98 7.828 -6.157 -3.285 1.00 63.23 H new ATOM 0 HB2 TRP A 98 5.639 -5.457 -2.353 1.00 52.24 H new ATOM 0 HB3 TRP A 98 4.879 -6.883 -3.033 1.00 52.24 H new ATOM 0 HD1 TRP A 98 8.291 -7.278 -1.296 1.00 53.33 H new ATOM 0 HE1 TRP A 98 8.002 -8.622 0.892 1.00 24.35 H new ATOM 0 HE3 TRP A 98 3.189 -7.374 -1.147 1.00 11.02 H new ATOM 0 HZ2 TRP A 98 5.862 -9.547 2.456 1.00 31.11 H new ATOM 0 HZ3 TRP A 98 2.087 -8.504 0.741 1.00 24.44 H new ATOM 0 HH2 TRP A 98 3.410 -9.577 2.518 1.00 23.52 H new ATOM 1594 N GLN A 99 8.187 -8.642 -3.484 1.00 40.24 N ATOM 1595 CA GLN A 99 8.545 -10.037 -3.764 1.00 54.00 C ATOM 1596 C GLN A 99 8.176 -10.963 -2.584 1.00 23.11 C ATOM 1597 O GLN A 99 9.008 -11.245 -1.718 1.00 60.34 O ATOM 1598 CB GLN A 99 10.049 -10.124 -4.067 1.00 1.52 C ATOM 1599 CG GLN A 99 10.548 -11.526 -4.375 1.00 44.12 C ATOM 1600 CD GLN A 99 12.052 -11.574 -4.577 1.00 75.41 C ATOM 1601 OE1 GLN A 99 12.810 -11.765 -3.633 1.00 72.32 O ATOM 1602 NE2 GLN A 99 12.495 -11.380 -5.800 1.00 73.54 N ATOM 0 H GLN A 99 8.776 -8.194 -2.783 1.00 40.24 H new ATOM 0 HA GLN A 99 7.977 -10.374 -4.631 1.00 54.00 H new ATOM 0 HB2 GLN A 99 10.274 -9.477 -4.915 1.00 1.52 H new ATOM 0 HB3 GLN A 99 10.602 -9.734 -3.213 1.00 1.52 H new ATOM 0 HG2 GLN A 99 10.272 -12.194 -3.559 1.00 44.12 H new ATOM 0 HG3 GLN A 99 10.052 -11.896 -5.272 1.00 44.12 H new ATOM 0 HE21 GLN A 99 11.836 -11.224 -6.562 1.00 73.54 H new ATOM 0 HE22 GLN A 99 13.498 -11.386 -5.986 1.00 73.54 H new ATOM 1611 N PRO A 100 6.910 -11.432 -2.515 1.00 3.34 N ATOM 1612 CA PRO A 100 6.443 -12.305 -1.429 1.00 32.43 C ATOM 1613 C PRO A 100 6.590 -13.809 -1.731 1.00 13.31 C ATOM 1614 O PRO A 100 6.510 -14.637 -0.825 1.00 44.33 O ATOM 1615 CB PRO A 100 4.966 -11.916 -1.336 1.00 5.12 C ATOM 1616 CG PRO A 100 4.568 -11.622 -2.750 1.00 71.23 C ATOM 1617 CD PRO A 100 5.813 -11.123 -3.460 1.00 22.12 C ATOM 0 HA PRO A 100 7.021 -12.171 -0.514 1.00 32.43 H new ATOM 0 HB2 PRO A 100 4.368 -12.724 -0.915 1.00 5.12 H new ATOM 0 HB3 PRO A 100 4.824 -11.046 -0.694 1.00 5.12 H new ATOM 0 HG2 PRO A 100 4.178 -12.516 -3.236 1.00 71.23 H new ATOM 0 HG3 PRO A 100 3.778 -10.872 -2.781 1.00 71.23 H new ATOM 0 HD2 PRO A 100 5.956 -11.626 -4.416 1.00 22.12 H new ATOM 0 HD3 PRO A 100 5.753 -10.055 -3.667 1.00 22.12 H new