USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 0 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 27 ASN : amide:sc= -12.6! C(o=-13!,f=-31!) USER MOD Set 1.2: A 101 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 94 THR OG1 : rot 180:sc= -1.21 USER MOD Set 2.2: A 97 GLN : amide:sc= -0.0107 K(o=-1.2,f=-2.4) USER MOD Set 3.1: A 69 ASN : amide:sc= -1.26 K(o=-3.8,f=-4.9!) USER MOD Set 3.2: A 73 HIS : no HE2:sc= -2.56 K(o=-3.8,f=-5.8!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.118 K(o=-0.12,f=-0.68) USER MOD Single : A 16 GLN : amide:sc=-0.00239 X(o=-0.0024,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS :FLIP no HD1:sc= -0.808 F(o=-2.5!,f=-0.81) USER MOD Single : A 24 SER OG : rot -165:sc= 0.823 USER MOD Single : A 29 GLN : amide:sc= -2.02! C(o=-2!,f=-5!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -177:sc= -1.46 USER MOD Single : A 42 HIS : no HD1:sc= -2.81 K(o=-2.8,f=-6.8!) USER MOD Single : A 48 SER OG : rot -170:sc= -0.315 USER MOD Single : A 50 SER OG : rot 180:sc= 0.208 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -6.47! C(o=-6.5!,f=-17!) USER MOD Single : A 60 ASN : amide:sc= -0.016 X(o=-0.016,f=-0.049) USER MOD Single : A 61 LYS NZ :NH3+ 158:sc= -0.0297 (180deg=-0.276) USER MOD Single : A 63 LYS NZ :NH3+ -114:sc= -0.0852 (180deg=-0.611!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -7.28! C(o=-9.6!,f=-7.3!) USER MOD Single : A 80 LYS NZ :NH3+ 167:sc= -0.101 (180deg=-0.357) USER MOD Single : A 88 GLN : amide:sc= 0.187 X(o=0.19,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl -127:sc= -8.99! (180deg=-14!) USER MOD Single : A 95 THR OG1 : rot 62:sc= -6.29! USER MOD Single : A 99 GLN :FLIP amide:sc= -2.84 F(o=-4.2!,f=-2.8) USER MOD Single : A 100 ASN : amide:sc= -2.83! C(o=-2.8!,f=-6.2!) USER MOD Single : A 104 HIS :FLIP no HD1:sc= -5.45! C(o=-6.4!,f=-5.4!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN :FLIP amide:sc= -3.78! C(o=-4.5!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 48 N TYR A 7 -9.006 -9.990 -5.904 1.00 0.00 N ATOM 49 CA TYR A 7 -7.732 -9.335 -6.149 1.00 0.00 C ATOM 50 C TYR A 7 -7.613 -8.044 -5.336 1.00 0.00 C ATOM 51 O TYR A 7 -6.826 -7.162 -5.676 1.00 0.00 O ATOM 52 CB TYR A 7 -7.716 -8.987 -7.640 1.00 0.00 C ATOM 53 CG TYR A 7 -8.611 -7.803 -8.012 1.00 0.00 C ATOM 54 CD1 TYR A 7 -9.601 -7.387 -7.145 1.00 0.00 C ATOM 55 CD2 TYR A 7 -8.429 -7.152 -9.215 1.00 0.00 C ATOM 56 CE1 TYR A 7 -10.443 -6.272 -7.495 1.00 0.00 C ATOM 57 CE2 TYR A 7 -9.271 -6.038 -9.565 1.00 0.00 C ATOM 58 CZ TYR A 7 -10.237 -5.653 -8.687 1.00 0.00 C ATOM 0 HA TYR A 7 -6.906 -9.985 -5.862 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -6.692 -8.764 -7.940 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.031 -9.861 -8.210 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.744 -7.898 -6.204 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.655 -7.478 -9.894 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -11.221 -5.936 -6.825 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.139 -5.519 -10.503 1.00 0.00 H new ATOM 59 N ARG A 8 -8.407 -7.975 -4.277 1.00 0.00 N ATOM 60 CA ARG A 8 -8.401 -6.807 -3.412 1.00 0.00 C ATOM 61 C ARG A 8 -7.912 -7.186 -2.014 1.00 0.00 C ATOM 62 O ARG A 8 -8.476 -8.073 -1.373 1.00 0.00 O ATOM 63 CB ARG A 8 -9.798 -6.191 -3.308 1.00 0.00 C ATOM 64 CG ARG A 8 -9.813 -4.768 -3.869 1.00 0.00 C ATOM 65 CD ARG A 8 -10.434 -3.792 -2.868 1.00 0.00 C ATOM 66 NE ARG A 8 -9.714 -2.499 -2.909 1.00 0.00 N ATOM 67 CZ ARG A 8 -8.575 -2.252 -2.248 1.00 0.00 C ATOM 0 H ARG A 8 -9.059 -8.709 -3.999 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.725 -6.073 -3.850 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.513 -6.808 -3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.117 -6.178 -2.266 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.796 -4.455 -4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.377 -4.747 -4.801 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.487 -3.639 -3.102 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.389 -4.211 -1.863 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.110 -1.749 -3.476 1.00 0.00 H new ATOM 68 N ILE A 9 -6.868 -6.495 -1.578 1.00 0.00 N ATOM 69 CA ILE A 9 -6.297 -6.748 -0.267 1.00 0.00 C ATOM 70 C ILE A 9 -7.009 -5.876 0.770 1.00 0.00 C ATOM 71 O ILE A 9 -8.133 -5.433 0.547 1.00 0.00 O ATOM 72 CB ILE A 9 -4.780 -6.553 -0.297 1.00 0.00 C ATOM 73 CG1 ILE A 9 -4.223 -6.793 -1.701 1.00 0.00 C ATOM 74 CG2 ILE A 9 -4.094 -7.434 0.749 1.00 0.00 C ATOM 75 CD1 ILE A 9 -2.702 -6.942 -1.671 1.00 0.00 C ATOM 0 H ILE A 9 -6.403 -5.760 -2.111 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.456 -7.786 0.025 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.564 -5.516 -0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.671 -7.692 -2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.498 -5.963 -2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.016 -7.277 0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.460 -7.173 1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.316 -8.481 0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.333 -7.112 -2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.255 -6.032 -1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.432 -7.788 -1.039 1.00 0.00 H new ATOM 76 N LYS A 10 -6.322 -5.657 1.882 1.00 0.00 N ATOM 77 CA LYS A 10 -6.874 -4.847 2.956 1.00 0.00 C ATOM 78 C LYS A 10 -6.132 -5.156 4.257 1.00 0.00 C ATOM 79 O LYS A 10 -6.049 -4.310 5.144 1.00 0.00 O ATOM 80 CB LYS A 10 -8.389 -5.044 3.050 1.00 0.00 C ATOM 81 CG LYS A 10 -9.133 -3.899 2.359 1.00 0.00 C ATOM 82 CD LYS A 10 -9.813 -2.989 3.384 1.00 0.00 C ATOM 83 CE LYS A 10 -9.453 -1.523 3.139 1.00 0.00 C ATOM 84 NZ LYS A 10 -10.361 -0.927 2.133 1.00 0.00 N ATOM 0 H LYS A 10 -5.388 -6.026 2.063 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.725 -3.787 2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.666 -5.993 2.590 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.688 -5.098 4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.434 -3.317 1.758 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.879 -4.305 1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.894 -3.116 3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.510 -3.278 4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.519 -0.965 4.073 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.421 -1.448 2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.103 0.068 1.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.278 -1.449 1.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.342 -0.981 2.475 1.00 0.00 H new ATOM 85 N LYS A 11 -5.611 -6.373 4.328 1.00 0.00 N ATOM 86 CA LYS A 11 -4.878 -6.805 5.506 1.00 0.00 C ATOM 87 C LYS A 11 -3.448 -6.261 5.439 1.00 0.00 C ATOM 88 O LYS A 11 -2.924 -6.015 4.355 1.00 0.00 O ATOM 89 CB LYS A 11 -4.951 -8.326 5.655 1.00 0.00 C ATOM 90 CG LYS A 11 -5.388 -8.717 7.068 1.00 0.00 C ATOM 91 CD LYS A 11 -6.868 -9.105 7.095 1.00 0.00 C ATOM 92 CE LYS A 11 -7.740 -7.915 7.503 1.00 0.00 C ATOM 93 NZ LYS A 11 -8.936 -8.378 8.242 1.00 0.00 N ATOM 0 H LYS A 11 -5.682 -7.073 3.589 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.333 -6.398 6.409 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.653 -8.733 4.927 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.977 -8.764 5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.783 -9.552 7.422 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.214 -7.885 7.750 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.172 -9.463 6.111 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.019 -9.928 7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.163 -7.230 8.125 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.046 -7.360 6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.517 -7.558 8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.494 -9.013 7.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.639 -8.888 9.098 1.00 0.00 H new ATOM 94 N ASN A 12 -2.859 -6.091 6.614 1.00 0.00 N ATOM 95 CA ASN A 12 -1.501 -5.582 6.704 1.00 0.00 C ATOM 96 C ASN A 12 -0.515 -6.718 6.418 1.00 0.00 C ATOM 97 O ASN A 12 0.624 -6.471 6.026 1.00 0.00 O ATOM 98 CB ASN A 12 -1.206 -5.043 8.103 1.00 0.00 C ATOM 99 CG ASN A 12 -1.319 -3.517 8.138 1.00 0.00 C ATOM 100 OD1 ASN A 12 -0.891 -2.817 7.235 1.00 0.00 O ATOM 101 ND2 ASN A 12 -1.918 -3.043 9.226 1.00 0.00 N ATOM 0 H ASN A 12 -3.298 -6.297 7.512 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.395 -4.776 5.977 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.902 -5.479 8.819 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.204 -5.344 8.409 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.043 -2.037 9.342 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.253 -3.685 9.944 1.00 0.00 H new ATOM 102 N ALA A 13 -0.991 -7.937 6.624 1.00 0.00 N ATOM 103 CA ALA A 13 -0.166 -9.111 6.393 1.00 0.00 C ATOM 104 C ALA A 13 0.222 -9.174 4.915 1.00 0.00 C ATOM 105 O ALA A 13 1.402 -9.279 4.583 1.00 0.00 O ATOM 106 CB ALA A 13 -0.918 -10.362 6.852 1.00 0.00 C ATOM 0 H ALA A 13 -1.937 -8.137 6.948 1.00 0.00 H new ATOM 0 HA ALA A 13 0.755 -9.053 6.973 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.299 -11.243 6.679 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.144 -10.281 7.915 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.847 -10.455 6.289 1.00 0.00 H new ATOM 107 N ASP A 14 -0.792 -9.106 4.066 1.00 0.00 N ATOM 108 CA ASP A 14 -0.573 -9.154 2.631 1.00 0.00 C ATOM 109 C ASP A 14 0.252 -7.937 2.205 1.00 0.00 C ATOM 110 O ASP A 14 0.991 -7.996 1.223 1.00 0.00 O ATOM 111 CB ASP A 14 -1.898 -9.116 1.868 1.00 0.00 C ATOM 112 CG ASP A 14 -2.428 -10.481 1.426 1.00 0.00 C ATOM 113 OD1 ASP A 14 -1.647 -11.451 1.521 1.00 0.00 O ATOM 114 OD2 ASP A 14 -3.604 -10.524 1.003 1.00 0.00 O ATOM 0 H ASP A 14 -1.769 -9.018 4.345 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.052 -10.083 2.401 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.649 -8.638 2.497 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.774 -8.488 0.986 1.00 0.00 H new ATOM 115 N PHE A 15 0.099 -6.863 2.966 1.00 0.00 N ATOM 116 CA PHE A 15 0.822 -5.635 2.679 1.00 0.00 C ATOM 117 C PHE A 15 2.220 -5.663 3.297 1.00 0.00 C ATOM 118 O PHE A 15 3.100 -4.907 2.888 1.00 0.00 O ATOM 119 CB PHE A 15 0.023 -4.490 3.307 1.00 0.00 C ATOM 120 CG PHE A 15 -0.782 -3.668 2.299 1.00 0.00 C ATOM 121 CD1 PHE A 15 -1.956 -4.150 1.812 1.00 0.00 C ATOM 122 CD2 PHE A 15 -0.324 -2.454 1.892 1.00 0.00 C ATOM 123 CE1 PHE A 15 -2.704 -3.386 0.876 1.00 0.00 C ATOM 124 CE2 PHE A 15 -1.071 -1.690 0.957 1.00 0.00 C ATOM 125 CZ PHE A 15 -2.246 -2.172 0.470 1.00 0.00 C ATOM 0 H PHE A 15 -0.514 -6.817 3.780 1.00 0.00 H new ATOM 0 HA PHE A 15 0.934 -5.512 1.602 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.658 -4.902 4.052 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.710 -3.828 3.835 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.320 -5.114 2.136 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.608 -2.071 2.280 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.636 -3.770 0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.706 -0.727 0.633 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.815 -1.590 -0.240 1.00 0.00 H new ATOM 126 N GLN A 16 2.383 -6.546 4.272 1.00 0.00 N ATOM 127 CA GLN A 16 3.661 -6.684 4.951 1.00 0.00 C ATOM 128 C GLN A 16 4.523 -7.737 4.251 1.00 0.00 C ATOM 129 O GLN A 16 5.707 -7.511 4.004 1.00 0.00 O ATOM 130 CB GLN A 16 3.462 -7.031 6.428 1.00 0.00 C ATOM 131 CG GLN A 16 4.546 -7.996 6.914 1.00 0.00 C ATOM 132 CD GLN A 16 4.742 -7.883 8.428 1.00 0.00 C ATOM 133 OE1 GLN A 16 3.916 -8.305 9.220 1.00 0.00 O ATOM 134 NE2 GLN A 16 5.878 -7.290 8.782 1.00 0.00 N ATOM 0 H GLN A 16 1.652 -7.173 4.608 1.00 0.00 H new ATOM 0 HA GLN A 16 4.181 -5.727 4.903 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.486 -6.120 7.026 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.479 -7.480 6.571 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.271 -9.018 6.655 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.485 -7.780 6.405 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.526 -6.960 8.066 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.102 -7.165 9.769 1.00 0.00 H new ATOM 135 N ARG A 17 3.896 -8.864 3.950 1.00 0.00 N ATOM 136 CA ARG A 17 4.591 -9.952 3.284 1.00 0.00 C ATOM 137 C ARG A 17 5.483 -9.407 2.167 1.00 0.00 C ATOM 138 O ARG A 17 6.526 -9.983 1.864 1.00 0.00 O ATOM 139 CB ARG A 17 3.600 -10.957 2.691 1.00 0.00 C ATOM 140 CG ARG A 17 3.707 -12.312 3.394 1.00 0.00 C ATOM 141 CD ARG A 17 2.890 -13.376 2.659 1.00 0.00 C ATOM 142 NE ARG A 17 3.760 -14.513 2.285 1.00 0.00 N ATOM 143 CZ ARG A 17 3.350 -15.572 1.573 1.00 0.00 C ATOM 0 H ARG A 17 2.914 -9.047 4.155 1.00 0.00 H new ATOM 0 HA ARG A 17 5.204 -10.459 4.029 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.585 -10.572 2.788 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.794 -11.080 1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.752 -12.619 3.442 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.353 -12.222 4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.076 -13.724 3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.436 -12.946 1.766 1.00 0.00 H new ATOM 0 HE ARG A 17 4.734 -14.489 2.588 1.00 0.00 H new ATOM 144 N ILE A 18 5.039 -8.302 1.585 1.00 0.00 N ATOM 145 CA ILE A 18 5.785 -7.673 0.508 1.00 0.00 C ATOM 146 C ILE A 18 6.885 -6.791 1.103 1.00 0.00 C ATOM 147 O ILE A 18 8.039 -6.863 0.682 1.00 0.00 O ATOM 148 CB ILE A 18 4.839 -6.925 -0.432 1.00 0.00 C ATOM 149 CG1 ILE A 18 3.456 -7.580 -0.455 1.00 0.00 C ATOM 150 CG2 ILE A 18 5.439 -6.807 -1.835 1.00 0.00 C ATOM 151 CD1 ILE A 18 2.643 -7.104 -1.660 1.00 0.00 C ATOM 0 H ILE A 18 4.173 -7.827 1.839 1.00 0.00 H new ATOM 0 HA ILE A 18 6.277 -8.427 -0.106 1.00 0.00 H new ATOM 0 HB ILE A 18 4.710 -5.912 -0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.564 -8.664 -0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.922 -7.342 0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.746 -6.271 -2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.382 -6.263 -1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.617 -7.803 -2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.665 -7.585 -1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.516 -6.023 -1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.168 -7.365 -2.579 1.00 0.00 H new ATOM 152 N TYR A 19 6.489 -5.979 2.072 1.00 0.00 N ATOM 153 CA TYR A 19 7.427 -5.084 2.729 1.00 0.00 C ATOM 154 C TYR A 19 8.443 -5.870 3.561 1.00 0.00 C ATOM 155 O TYR A 19 9.413 -5.302 4.061 1.00 0.00 O ATOM 156 CB TYR A 19 6.589 -4.208 3.664 1.00 0.00 C ATOM 157 CG TYR A 19 6.161 -2.875 3.048 1.00 0.00 C ATOM 158 CD1 TYR A 19 5.160 -2.844 2.098 1.00 0.00 C ATOM 159 CD2 TYR A 19 6.774 -1.704 3.443 1.00 0.00 C ATOM 160 CE1 TYR A 19 4.757 -1.589 1.518 1.00 0.00 C ATOM 161 CE2 TYR A 19 6.370 -0.449 2.863 1.00 0.00 C ATOM 162 CZ TYR A 19 5.381 -0.453 1.930 1.00 0.00 C ATOM 0 H TYR A 19 5.531 -5.922 2.418 1.00 0.00 H new ATOM 0 HA TYR A 19 7.981 -4.501 1.994 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.699 -4.761 3.963 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.161 -4.011 4.571 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.679 -3.761 1.790 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.557 -1.728 4.187 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.977 -1.551 0.772 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.842 0.475 3.163 1.00 0.00 H new ATOM 163 N LYS A 20 8.187 -7.164 3.682 1.00 0.00 N ATOM 164 CA LYS A 20 9.068 -8.033 4.443 1.00 0.00 C ATOM 165 C LYS A 20 10.436 -8.089 3.763 1.00 0.00 C ATOM 166 O LYS A 20 11.350 -7.355 4.136 1.00 0.00 O ATOM 167 CB LYS A 20 8.423 -9.406 4.644 1.00 0.00 C ATOM 168 CG LYS A 20 9.294 -10.296 5.533 1.00 0.00 C ATOM 169 CD LYS A 20 8.871 -10.186 6.999 1.00 0.00 C ATOM 170 CE LYS A 20 9.976 -9.544 7.842 1.00 0.00 C ATOM 171 NZ LYS A 20 9.536 -9.397 9.247 1.00 0.00 N ATOM 0 H LYS A 20 7.382 -7.632 3.266 1.00 0.00 H new ATOM 0 HA LYS A 20 9.227 -7.632 5.444 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.438 -9.287 5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.274 -9.887 3.677 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.216 -11.332 5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.340 -10.007 5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.960 -9.593 7.075 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.640 -11.177 7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.877 -10.156 7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.234 -8.568 7.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.297 -8.960 9.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.689 -8.794 9.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.312 -10.333 9.640 1.00 0.00 H new ATOM 172 N LYS A 21 10.534 -8.966 2.775 1.00 0.00 N ATOM 173 CA LYS A 21 11.777 -9.128 2.037 1.00 0.00 C ATOM 174 C LYS A 21 11.479 -9.114 0.537 1.00 0.00 C ATOM 175 O LYS A 21 12.332 -9.479 -0.272 1.00 0.00 O ATOM 176 CB LYS A 21 12.519 -10.381 2.506 1.00 0.00 C ATOM 177 CG LYS A 21 13.797 -10.013 3.261 1.00 0.00 C ATOM 178 CD LYS A 21 14.053 -10.985 4.414 1.00 0.00 C ATOM 179 CE LYS A 21 15.501 -11.479 4.403 1.00 0.00 C ATOM 180 NZ LYS A 21 15.884 -11.990 5.738 1.00 0.00 N ATOM 0 H LYS A 21 9.774 -9.572 2.468 1.00 0.00 H new ATOM 0 HA LYS A 21 12.450 -8.294 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.869 -10.972 3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.767 -11.004 1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.645 -10.025 2.576 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.715 -8.997 3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.840 -10.493 5.363 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.375 -11.834 4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.617 -12.267 3.658 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.167 -10.666 4.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.870 -12.321 5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.792 -11.229 6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.260 -12.780 6.000 1.00 0.00 H new ATOM 181 N GLY A 22 10.268 -8.688 0.210 1.00 0.00 N ATOM 182 CA GLY A 22 9.848 -8.620 -1.179 1.00 0.00 C ATOM 183 C GLY A 22 10.764 -7.697 -1.985 1.00 0.00 C ATOM 184 O GLY A 22 11.907 -7.459 -1.598 1.00 0.00 O ATOM 0 H GLY A 22 9.564 -8.386 0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.858 -9.619 -1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.821 -8.258 -1.235 1.00 0.00 H new ATOM 185 N HIS A 23 10.228 -7.204 -3.092 1.00 0.00 N ATOM 186 CA HIS A 23 10.984 -6.312 -3.956 1.00 0.00 C ATOM 187 C HIS A 23 10.091 -5.154 -4.404 1.00 0.00 C ATOM 188 O HIS A 23 9.376 -5.265 -5.400 1.00 0.00 O ATOM 189 CB HIS A 23 11.593 -7.080 -5.131 1.00 0.00 C ATOM 190 CG HIS A 23 12.335 -6.209 -6.115 1.00 0.00 C ATOM 191 ND1 HIS A 23 12.028 -4.985 -6.630 1.00 0.00 N flip ATOM 192 CD2 HIS A 23 13.544 -6.579 -6.679 1.00 0.00 C flip ATOM 193 CE1 HIS A 23 12.997 -4.624 -7.463 1.00 0.00 C flip ATOM 194 NE2 HIS A 23 13.938 -5.611 -7.494 1.00 0.00 N flip ATOM 0 H HIS A 23 9.280 -7.405 -3.411 1.00 0.00 H new ATOM 0 HA HIS A 23 11.821 -5.887 -3.403 1.00 0.00 H new ATOM 0 HB2 HIS A 23 12.276 -7.835 -4.743 1.00 0.00 H new ATOM 0 HB3 HIS A 23 10.798 -7.609 -5.657 1.00 0.00 H new ATOM 0 HD2 HIS A 23 14.075 -7.499 -6.487 1.00 0.00 H new ATOM 0 HE1 HIS A 23 13.034 -3.701 -8.023 1.00 0.00 H new ATOM 0 HE2 HIS A 23 14.795 -5.605 -8.047 1.00 0.00 H new ATOM 195 N SER A 24 10.160 -4.068 -3.649 1.00 0.00 N ATOM 196 CA SER A 24 9.367 -2.890 -3.956 1.00 0.00 C ATOM 197 C SER A 24 10.211 -1.877 -4.732 1.00 0.00 C ATOM 198 O SER A 24 11.370 -1.642 -4.393 1.00 0.00 O ATOM 199 CB SER A 24 8.812 -2.252 -2.680 1.00 0.00 C ATOM 200 OG SER A 24 9.847 -1.883 -1.774 1.00 0.00 O ATOM 0 H SER A 24 10.754 -3.979 -2.824 1.00 0.00 H new ATOM 0 HA SER A 24 8.523 -3.198 -4.573 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.227 -1.370 -2.941 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.134 -2.951 -2.190 1.00 0.00 H new ATOM 0 HG SER A 24 9.461 -1.704 -0.891 1.00 0.00 H new ATOM 201 N VAL A 25 9.599 -1.306 -5.758 1.00 0.00 N ATOM 202 CA VAL A 25 10.280 -0.325 -6.585 1.00 0.00 C ATOM 203 C VAL A 25 9.776 1.074 -6.227 1.00 0.00 C ATOM 204 O VAL A 25 8.991 1.236 -5.294 1.00 0.00 O ATOM 205 CB VAL A 25 10.094 -0.667 -8.064 1.00 0.00 C ATOM 206 CG1 VAL A 25 10.560 -2.094 -8.359 1.00 0.00 C ATOM 207 CG2 VAL A 25 8.640 -0.465 -8.495 1.00 0.00 C ATOM 0 H VAL A 25 8.638 -1.504 -6.036 1.00 0.00 H new ATOM 0 HA VAL A 25 11.353 -0.343 -6.394 1.00 0.00 H new ATOM 0 HB VAL A 25 10.714 0.015 -8.646 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.417 -2.312 -9.417 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.616 -2.191 -8.108 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.979 -2.797 -7.762 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.535 -0.715 -9.551 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.992 -1.111 -7.903 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.355 0.576 -8.339 1.00 0.00 H new ATOM 208 N ALA A 26 10.250 2.051 -6.987 1.00 0.00 N ATOM 209 CA ALA A 26 9.857 3.432 -6.762 1.00 0.00 C ATOM 210 C ALA A 26 10.508 4.322 -7.822 1.00 0.00 C ATOM 211 O ALA A 26 11.726 4.295 -7.998 1.00 0.00 O ATOM 212 CB ALA A 26 10.238 3.846 -5.339 1.00 0.00 C ATOM 0 H ALA A 26 10.902 1.914 -7.759 1.00 0.00 H new ATOM 0 HA ALA A 26 8.777 3.544 -6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.943 4.882 -5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.727 3.202 -4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.316 3.750 -5.208 1.00 0.00 H new ATOM 213 N ASN A 27 9.670 5.092 -8.500 1.00 0.00 N ATOM 214 CA ASN A 27 10.149 5.988 -9.538 1.00 0.00 C ATOM 215 C ASN A 27 10.632 7.291 -8.897 1.00 0.00 C ATOM 216 O ASN A 27 11.805 7.417 -8.549 1.00 0.00 O ATOM 217 CB ASN A 27 9.033 6.334 -10.525 1.00 0.00 C ATOM 218 CG ASN A 27 7.697 6.519 -9.802 1.00 0.00 C ATOM 219 OD1 ASN A 27 7.623 6.572 -8.585 1.00 0.00 O ATOM 220 ND2 ASN A 27 6.650 6.615 -10.615 1.00 0.00 N ATOM 0 H ASN A 27 8.661 5.114 -8.350 1.00 0.00 H new ATOM 0 HA ASN A 27 10.958 5.487 -10.069 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.289 7.247 -11.063 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.942 5.542 -11.268 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.714 6.741 -10.229 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.782 6.563 -11.625 1.00 0.00 H new ATOM 221 N ARG A 28 9.703 8.226 -8.760 1.00 0.00 N ATOM 222 CA ARG A 28 10.020 9.514 -8.167 1.00 0.00 C ATOM 223 C ARG A 28 9.127 9.773 -6.952 1.00 0.00 C ATOM 224 O ARG A 28 9.609 10.185 -5.898 1.00 0.00 O ATOM 225 CB ARG A 28 9.835 10.647 -9.178 1.00 0.00 C ATOM 226 CG ARG A 28 9.830 12.009 -8.482 1.00 0.00 C ATOM 227 CD ARG A 28 10.740 13.001 -9.211 1.00 0.00 C ATOM 228 NE ARG A 28 12.157 12.717 -8.891 1.00 0.00 N ATOM 229 CZ ARG A 28 13.180 13.507 -9.245 1.00 0.00 C ATOM 0 H ARG A 28 8.731 8.117 -9.049 1.00 0.00 H new ATOM 0 HA ARG A 28 11.064 9.487 -7.856 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.637 10.615 -9.916 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.899 10.508 -9.718 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.813 12.400 -8.448 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.163 11.895 -7.450 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.580 12.931 -10.287 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.490 14.020 -8.918 1.00 0.00 H new ATOM 0 HE ARG A 28 12.368 11.867 -8.368 1.00 0.00 H new ATOM 230 N GLN A 29 7.839 9.522 -7.140 1.00 0.00 N ATOM 231 CA GLN A 29 6.874 9.723 -6.073 1.00 0.00 C ATOM 232 C GLN A 29 5.870 8.569 -6.041 1.00 0.00 C ATOM 233 O GLN A 29 4.790 8.697 -5.466 1.00 0.00 O ATOM 234 CB GLN A 29 6.159 11.067 -6.226 1.00 0.00 C ATOM 235 CG GLN A 29 5.074 10.993 -7.302 1.00 0.00 C ATOM 236 CD GLN A 29 5.450 11.838 -8.520 1.00 0.00 C ATOM 237 OE1 GLN A 29 6.355 12.655 -8.485 1.00 0.00 O ATOM 238 NE2 GLN A 29 4.706 11.597 -9.596 1.00 0.00 N ATOM 0 H GLN A 29 7.442 9.181 -8.016 1.00 0.00 H new ATOM 0 HA GLN A 29 7.410 9.740 -5.124 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.713 11.356 -5.274 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.882 11.840 -6.487 1.00 0.00 H new ATOM 0 HG2 GLN A 29 4.928 9.956 -7.605 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.126 11.342 -6.892 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.964 10.899 -9.557 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.878 12.110 -10.460 1.00 0.00 H new ATOM 239 N PHE A 30 6.261 7.469 -6.668 1.00 0.00 N ATOM 240 CA PHE A 30 5.409 6.294 -6.719 1.00 0.00 C ATOM 241 C PHE A 30 6.219 5.017 -6.483 1.00 0.00 C ATOM 242 O PHE A 30 7.266 4.820 -7.099 1.00 0.00 O ATOM 243 CB PHE A 30 4.798 6.244 -8.121 1.00 0.00 C ATOM 244 CG PHE A 30 3.310 5.886 -8.139 1.00 0.00 C ATOM 245 CD1 PHE A 30 2.793 5.081 -7.173 1.00 0.00 C ATOM 246 CD2 PHE A 30 2.505 6.374 -9.121 1.00 0.00 C ATOM 247 CE1 PHE A 30 1.412 4.749 -7.190 1.00 0.00 C ATOM 248 CE2 PHE A 30 1.125 6.042 -9.139 1.00 0.00 C ATOM 249 CZ PHE A 30 0.608 5.236 -8.172 1.00 0.00 C ATOM 0 H PHE A 30 7.157 7.367 -7.145 1.00 0.00 H new ATOM 0 HA PHE A 30 4.645 6.356 -5.944 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.934 7.214 -8.600 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.344 5.514 -8.718 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.432 4.694 -6.393 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.916 7.014 -9.887 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.001 4.110 -6.423 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.486 6.429 -9.919 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.442 4.983 -8.185 1.00 0.00 H new ATOM 250 N VAL A 31 5.705 4.184 -5.591 1.00 0.00 N ATOM 251 CA VAL A 31 6.368 2.932 -5.267 1.00 0.00 C ATOM 252 C VAL A 31 5.352 1.790 -5.334 1.00 0.00 C ATOM 253 O VAL A 31 4.286 1.866 -4.728 1.00 0.00 O ATOM 254 CB VAL A 31 7.055 3.042 -3.904 1.00 0.00 C ATOM 255 CG1 VAL A 31 6.309 4.018 -2.991 1.00 0.00 C ATOM 256 CG2 VAL A 31 7.188 1.668 -3.245 1.00 0.00 C ATOM 0 H VAL A 31 4.837 4.351 -5.082 1.00 0.00 H new ATOM 0 HA VAL A 31 7.150 2.714 -5.994 1.00 0.00 H new ATOM 0 HB VAL A 31 8.059 3.435 -4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.818 4.078 -2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.289 5.005 -3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.288 3.667 -2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.679 1.774 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.198 1.235 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.782 1.014 -3.884 1.00 0.00 H new ATOM 257 N VAL A 32 5.720 0.757 -6.078 1.00 0.00 N ATOM 258 CA VAL A 32 4.855 -0.400 -6.233 1.00 0.00 C ATOM 259 C VAL A 32 5.539 -1.627 -5.628 1.00 0.00 C ATOM 260 O VAL A 32 6.479 -2.169 -6.210 1.00 0.00 O ATOM 261 CB VAL A 32 4.489 -0.586 -7.706 1.00 0.00 C ATOM 262 CG1 VAL A 32 3.577 0.544 -8.190 1.00 0.00 C ATOM 263 CG2 VAL A 32 5.743 -0.688 -8.576 1.00 0.00 C ATOM 0 H VAL A 32 6.606 0.697 -6.580 1.00 0.00 H new ATOM 0 HA VAL A 32 3.919 -0.251 -5.695 1.00 0.00 H new ATOM 0 HB VAL A 32 3.941 -1.524 -7.799 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.331 0.389 -9.240 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.661 0.550 -7.600 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.089 1.499 -8.075 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.453 -0.820 -9.618 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.331 0.224 -8.475 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.340 -1.541 -8.255 1.00 0.00 H new ATOM 264 N TYR A 33 5.042 -2.031 -4.468 1.00 0.00 N ATOM 265 CA TYR A 33 5.593 -3.185 -3.778 1.00 0.00 C ATOM 266 C TYR A 33 5.087 -4.488 -4.398 1.00 0.00 C ATOM 267 O TYR A 33 3.880 -4.714 -4.477 1.00 0.00 O ATOM 268 CB TYR A 33 5.094 -3.092 -2.335 1.00 0.00 C ATOM 269 CG TYR A 33 6.006 -2.282 -1.412 1.00 0.00 C ATOM 270 CD1 TYR A 33 6.203 -0.936 -1.645 1.00 0.00 C ATOM 271 CD2 TYR A 33 6.631 -2.896 -0.346 1.00 0.00 C ATOM 272 CE1 TYR A 33 7.061 -0.173 -0.776 1.00 0.00 C ATOM 273 CE2 TYR A 33 7.489 -2.134 0.523 1.00 0.00 C ATOM 274 CZ TYR A 33 7.662 -0.809 0.265 1.00 0.00 C ATOM 0 H TYR A 33 4.263 -1.579 -3.988 1.00 0.00 H new ATOM 0 HA TYR A 33 6.681 -3.188 -3.844 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.101 -2.643 -2.333 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.989 -4.099 -1.932 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.714 -0.455 -2.479 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.476 -3.949 -0.164 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.224 0.881 -0.947 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.984 -2.603 1.360 1.00 0.00 H new ATOM 275 N THR A 34 6.034 -5.313 -4.823 1.00 0.00 N ATOM 276 CA THR A 34 5.697 -6.587 -5.433 1.00 0.00 C ATOM 277 C THR A 34 6.630 -7.686 -4.920 1.00 0.00 C ATOM 278 O THR A 34 7.781 -7.419 -4.576 1.00 0.00 O ATOM 279 CB THR A 34 5.745 -6.411 -6.952 1.00 0.00 C ATOM 280 OG1 THR A 34 7.051 -5.901 -7.203 1.00 0.00 O ATOM 281 CG2 THR A 34 4.812 -5.302 -7.442 1.00 0.00 C ATOM 0 H THR A 34 7.034 -5.123 -4.756 1.00 0.00 H new ATOM 0 HA THR A 34 4.690 -6.903 -5.159 1.00 0.00 H new ATOM 0 HB THR A 34 5.477 -7.351 -7.434 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.167 -5.759 -8.166 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.884 -5.218 -8.526 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.785 -5.541 -7.164 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.101 -4.355 -6.985 1.00 0.00 H new ATOM 282 N CYS A 35 6.099 -8.900 -4.885 1.00 0.00 N ATOM 283 CA CYS A 35 6.870 -10.041 -4.420 1.00 0.00 C ATOM 284 C CYS A 35 5.938 -11.253 -4.349 1.00 0.00 C ATOM 285 O CYS A 35 5.240 -11.446 -3.355 1.00 0.00 O ATOM 286 CB CYS A 35 7.542 -9.758 -3.074 1.00 0.00 C ATOM 287 SG CYS A 35 8.041 -11.330 -2.282 1.00 0.00 S ATOM 0 H CYS A 35 5.145 -9.118 -5.171 1.00 0.00 H new ATOM 0 HA CYS A 35 7.680 -10.247 -5.120 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.415 -9.122 -3.220 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.857 -9.215 -2.423 1.00 0.00 H new ATOM 0 HG CYS A 35 8.555 -11.083 -1.113 1.00 0.00 H new ATOM 338 N HIS A 42 -5.170 -12.754 -11.019 1.00 0.00 N ATOM 339 CA HIS A 42 -5.728 -11.434 -11.260 1.00 0.00 C ATOM 340 C HIS A 42 -4.642 -10.374 -11.058 1.00 0.00 C ATOM 341 O HIS A 42 -3.801 -10.168 -11.931 1.00 0.00 O ATOM 342 CB HIS A 42 -6.959 -11.196 -10.384 1.00 0.00 C ATOM 343 CG HIS A 42 -7.002 -12.051 -9.140 1.00 0.00 C ATOM 344 ND1 HIS A 42 -6.539 -11.612 -7.911 1.00 0.00 N ATOM 345 CD2 HIS A 42 -7.459 -13.322 -8.947 1.00 0.00 C ATOM 346 CE1 HIS A 42 -6.713 -12.584 -7.027 1.00 0.00 C ATOM 347 NE2 HIS A 42 -7.283 -13.642 -7.671 1.00 0.00 N ATOM 0 HA HIS A 42 -6.070 -11.362 -12.292 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -6.987 -10.146 -10.092 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -7.855 -11.387 -10.975 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.891 -13.960 -9.704 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.450 -12.545 -5.980 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.533 -14.533 -7.242 1.00 0.00 H new ATOM 348 N PHE A 43 -4.696 -9.731 -9.901 1.00 0.00 N ATOM 349 CA PHE A 43 -3.728 -8.698 -9.573 1.00 0.00 C ATOM 350 C PHE A 43 -4.156 -7.924 -8.324 1.00 0.00 C ATOM 351 O PHE A 43 -5.129 -7.173 -8.358 1.00 0.00 O ATOM 352 CB PHE A 43 -3.680 -7.738 -10.763 1.00 0.00 C ATOM 353 CG PHE A 43 -5.052 -7.237 -11.215 1.00 0.00 C ATOM 354 CD1 PHE A 43 -5.594 -6.128 -10.642 1.00 0.00 C ATOM 355 CD2 PHE A 43 -5.731 -7.898 -12.190 1.00 0.00 C ATOM 356 CE1 PHE A 43 -6.868 -5.663 -11.062 1.00 0.00 C ATOM 357 CE2 PHE A 43 -7.005 -7.433 -12.610 1.00 0.00 C ATOM 358 CZ PHE A 43 -7.548 -6.325 -12.037 1.00 0.00 C ATOM 0 H PHE A 43 -5.395 -9.905 -9.179 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.755 -9.147 -9.373 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.060 -6.881 -10.500 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.193 -8.238 -11.600 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.055 -5.602 -9.868 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.301 -8.778 -12.645 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.298 -4.783 -10.607 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.543 -7.959 -13.385 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.517 -5.971 -12.356 1.00 0.00 H new ATOM 359 N ARG A 44 -3.406 -8.132 -7.252 1.00 0.00 N ATOM 360 CA ARG A 44 -3.695 -7.463 -5.995 1.00 0.00 C ATOM 361 C ARG A 44 -3.486 -5.955 -6.138 1.00 0.00 C ATOM 362 O ARG A 44 -2.420 -5.438 -5.805 1.00 0.00 O ATOM 363 CB ARG A 44 -2.800 -7.992 -4.872 1.00 0.00 C ATOM 364 CG ARG A 44 -2.791 -9.522 -4.851 1.00 0.00 C ATOM 365 CD ARG A 44 -2.518 -10.049 -3.442 1.00 0.00 C ATOM 366 NE ARG A 44 -2.172 -11.487 -3.497 1.00 0.00 N ATOM 367 CZ ARG A 44 -3.075 -12.478 -3.470 1.00 0.00 C ATOM 0 H ARG A 44 -2.598 -8.755 -7.228 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.735 -7.667 -5.741 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.784 -7.621 -5.007 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.153 -7.614 -3.913 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.750 -9.900 -5.205 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.029 -9.894 -5.536 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.702 -9.488 -2.987 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.396 -9.902 -2.813 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.186 -11.740 -3.559 1.00 0.00 H new ATOM 368 N LEU A 45 -4.521 -5.290 -6.631 1.00 0.00 N ATOM 369 CA LEU A 45 -4.465 -3.851 -6.821 1.00 0.00 C ATOM 370 C LEU A 45 -4.647 -3.155 -5.470 1.00 0.00 C ATOM 371 O LEU A 45 -5.771 -2.992 -4.999 1.00 0.00 O ATOM 372 CB LEU A 45 -5.475 -3.410 -7.880 1.00 0.00 C ATOM 373 CG LEU A 45 -5.030 -2.270 -8.800 1.00 0.00 C ATOM 374 CD1 LEU A 45 -6.186 -1.794 -9.682 1.00 0.00 C ATOM 375 CD2 LEU A 45 -4.414 -1.126 -7.994 1.00 0.00 C ATOM 0 H LEU A 45 -5.404 -5.722 -6.905 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.488 -3.556 -7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.723 -4.273 -8.498 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.392 -3.106 -7.375 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.254 -2.649 -9.465 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.843 -0.984 -10.326 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.539 -2.622 -10.297 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.001 -1.437 -9.052 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.106 -0.329 -8.671 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.150 -0.740 -7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.546 -1.493 -7.447 1.00 0.00 H new ATOM 376 N GLY A 46 -3.524 -2.763 -4.886 1.00 0.00 N ATOM 377 CA GLY A 46 -3.546 -2.088 -3.599 1.00 0.00 C ATOM 378 C GLY A 46 -3.095 -0.632 -3.735 1.00 0.00 C ATOM 379 O GLY A 46 -2.148 -0.338 -4.464 1.00 0.00 O ATOM 0 H GLY A 46 -2.593 -2.900 -5.280 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.553 -2.123 -3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.894 -2.611 -2.899 1.00 0.00 H new ATOM 380 N ILE A 47 -3.793 0.240 -3.022 1.00 0.00 N ATOM 381 CA ILE A 47 -3.476 1.657 -3.055 1.00 0.00 C ATOM 382 C ILE A 47 -3.124 2.129 -1.643 1.00 0.00 C ATOM 383 O ILE A 47 -3.875 1.889 -0.699 1.00 0.00 O ATOM 384 CB ILE A 47 -4.616 2.447 -3.701 1.00 0.00 C ATOM 385 CG1 ILE A 47 -5.001 1.846 -5.055 1.00 0.00 C ATOM 386 CG2 ILE A 47 -4.262 3.930 -3.812 1.00 0.00 C ATOM 387 CD1 ILE A 47 -6.519 1.861 -5.249 1.00 0.00 C ATOM 0 H ILE A 47 -4.577 -0.008 -2.418 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.601 1.837 -3.680 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.491 2.373 -3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.523 2.409 -5.856 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.632 0.822 -5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.089 4.468 -4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.077 4.335 -2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.367 4.046 -4.423 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.766 1.429 -6.219 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.992 1.277 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.881 2.888 -5.207 1.00 0.00 H new ATOM 388 N SER A 48 -1.980 2.791 -1.542 1.00 0.00 N ATOM 389 CA SER A 48 -1.520 3.298 -0.262 1.00 0.00 C ATOM 390 C SER A 48 -0.987 4.723 -0.424 1.00 0.00 C ATOM 391 O SER A 48 -0.772 5.185 -1.543 1.00 0.00 O ATOM 392 CB SER A 48 -0.440 2.392 0.333 1.00 0.00 C ATOM 393 OG SER A 48 -0.991 1.391 1.184 1.00 0.00 O ATOM 0 H SER A 48 -1.359 2.987 -2.327 1.00 0.00 H new ATOM 0 HA SER A 48 -2.366 3.310 0.425 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.118 1.915 -0.473 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.270 2.997 0.897 1.00 0.00 H new ATOM 0 HG SER A 48 -0.268 0.937 1.665 1.00 0.00 H new ATOM 394 N VAL A 49 -0.790 5.380 0.710 1.00 0.00 N ATOM 395 CA VAL A 49 -0.286 6.743 0.707 1.00 0.00 C ATOM 396 C VAL A 49 0.427 7.020 2.033 1.00 0.00 C ATOM 397 O VAL A 49 0.393 6.197 2.945 1.00 0.00 O ATOM 398 CB VAL A 49 -1.427 7.722 0.425 1.00 0.00 C ATOM 399 CG1 VAL A 49 -0.902 9.152 0.292 1.00 0.00 C ATOM 400 CG2 VAL A 49 -2.210 7.306 -0.821 1.00 0.00 C ATOM 0 H VAL A 49 -0.970 4.994 1.637 1.00 0.00 H new ATOM 0 HA VAL A 49 0.445 6.879 -0.090 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.110 7.695 1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.734 9.828 0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.410 9.447 1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.188 9.202 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.015 8.018 -0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.542 7.290 -1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.631 6.312 -0.671 1.00 0.00 H new ATOM 401 N SER A 50 1.057 8.185 2.096 1.00 0.00 N ATOM 402 CA SER A 50 1.776 8.582 3.294 1.00 0.00 C ATOM 403 C SER A 50 0.864 9.407 4.204 1.00 0.00 C ATOM 404 O SER A 50 -0.166 9.915 3.760 1.00 0.00 O ATOM 405 CB SER A 50 3.035 9.378 2.942 1.00 0.00 C ATOM 406 OG SER A 50 3.691 9.880 4.103 1.00 0.00 O ATOM 0 H SER A 50 1.084 8.866 1.337 1.00 0.00 H new ATOM 0 HA SER A 50 2.084 7.680 3.822 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.722 8.742 2.384 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.768 10.209 2.289 1.00 0.00 H new ATOM 0 HG SER A 50 4.490 10.380 3.836 1.00 0.00 H new ATOM 407 N LYS A 51 1.273 9.515 5.458 1.00 0.00 N ATOM 408 CA LYS A 51 0.505 10.270 6.434 1.00 0.00 C ATOM 409 C LYS A 51 1.122 11.661 6.598 1.00 0.00 C ATOM 410 O LYS A 51 0.648 12.463 7.400 1.00 0.00 O ATOM 411 CB LYS A 51 0.392 9.490 7.745 1.00 0.00 C ATOM 412 CG LYS A 51 -0.649 8.374 7.632 1.00 0.00 C ATOM 413 CD LYS A 51 -0.913 7.729 8.993 1.00 0.00 C ATOM 414 CE LYS A 51 0.261 6.843 9.417 1.00 0.00 C ATOM 415 NZ LYS A 51 0.115 6.431 10.831 1.00 0.00 N ATOM 0 H LYS A 51 2.127 9.092 5.822 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.518 10.414 6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.361 9.063 8.003 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.117 10.168 8.553 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.578 8.778 7.231 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.301 7.617 6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.077 8.504 9.741 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.825 7.133 8.946 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.308 5.961 8.778 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.198 7.383 9.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.920 5.831 11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.093 7.275 11.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.770 5.897 10.947 1.00 0.00 H new ATOM 416 N LYS A 52 2.170 11.902 5.823 1.00 0.00 N ATOM 417 CA LYS A 52 2.857 13.182 5.872 1.00 0.00 C ATOM 418 C LYS A 52 2.537 13.977 4.604 1.00 0.00 C ATOM 419 O LYS A 52 2.736 15.189 4.560 1.00 0.00 O ATOM 420 CB LYS A 52 4.354 12.978 6.108 1.00 0.00 C ATOM 421 CG LYS A 52 4.846 13.829 7.280 1.00 0.00 C ATOM 422 CD LYS A 52 5.086 12.967 8.521 1.00 0.00 C ATOM 423 CE LYS A 52 6.494 13.187 9.078 1.00 0.00 C ATOM 424 NZ LYS A 52 7.324 11.977 8.880 1.00 0.00 N ATOM 0 H LYS A 52 2.560 11.233 5.158 1.00 0.00 H new ATOM 0 HA LYS A 52 2.502 13.772 6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.554 11.926 6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.907 13.241 5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.769 14.338 7.002 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.112 14.602 7.506 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.347 13.209 9.285 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.951 11.915 8.269 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.959 14.039 8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.438 13.427 10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.276 12.143 9.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.887 11.172 9.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.392 11.765 7.864 1.00 0.00 H new ATOM 425 N LEU A 53 2.045 13.260 3.603 1.00 0.00 N ATOM 426 CA LEU A 53 1.696 13.883 2.338 1.00 0.00 C ATOM 427 C LEU A 53 1.034 15.236 2.607 1.00 0.00 C ATOM 428 O LEU A 53 1.648 16.282 2.404 1.00 0.00 O ATOM 429 CB LEU A 53 0.840 12.936 1.494 1.00 0.00 C ATOM 430 CG LEU A 53 1.339 12.669 0.072 1.00 0.00 C ATOM 431 CD1 LEU A 53 1.406 11.167 -0.212 1.00 0.00 C ATOM 432 CD2 LEU A 53 0.483 13.409 -0.957 1.00 0.00 C ATOM 0 H LEU A 53 1.880 12.254 3.643 1.00 0.00 H new ATOM 0 HA LEU A 53 2.592 14.078 1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.765 11.982 2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.168 13.346 1.433 1.00 0.00 H new ATOM 0 HG LEU A 53 2.353 13.059 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.763 11.005 -1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.089 10.694 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.413 10.731 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.859 13.202 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.551 13.072 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.530 14.481 -0.766 1.00 0.00 H new ATOM 433 N GLY A 54 -0.210 15.172 3.057 1.00 0.00 N ATOM 434 CA GLY A 54 -0.963 16.379 3.355 1.00 0.00 C ATOM 435 C GLY A 54 -2.410 16.047 3.721 1.00 0.00 C ATOM 436 O GLY A 54 -2.666 15.414 4.745 1.00 0.00 O ATOM 0 H GLY A 54 -0.716 14.302 3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.489 16.913 4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.946 17.045 2.492 1.00 0.00 H new ATOM 437 N ASN A 55 -3.320 16.489 2.866 1.00 0.00 N ATOM 438 CA ASN A 55 -4.736 16.247 3.088 1.00 0.00 C ATOM 439 C ASN A 55 -5.149 14.964 2.364 1.00 0.00 C ATOM 440 O ASN A 55 -4.301 14.241 1.843 1.00 0.00 O ATOM 441 CB ASN A 55 -5.584 17.395 2.536 1.00 0.00 C ATOM 442 CG ASN A 55 -4.880 18.083 1.366 1.00 0.00 C ATOM 443 OD1 ASN A 55 -3.857 17.635 0.872 1.00 0.00 O ATOM 444 ND2 ASN A 55 -5.481 19.194 0.950 1.00 0.00 N ATOM 0 H ASN A 55 -3.105 17.013 2.018 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.899 16.162 4.162 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.551 17.013 2.209 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.778 18.121 3.326 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.088 19.726 0.174 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.335 19.514 1.407 1.00 0.00 H new ATOM 445 N ALA A 56 -6.450 14.719 2.357 1.00 0.00 N ATOM 446 CA ALA A 56 -6.986 13.536 1.706 1.00 0.00 C ATOM 447 C ALA A 56 -7.204 13.829 0.221 1.00 0.00 C ATOM 448 O ALA A 56 -7.211 12.915 -0.602 1.00 0.00 O ATOM 449 CB ALA A 56 -8.275 13.105 2.410 1.00 0.00 C ATOM 0 H ALA A 56 -7.150 15.320 2.792 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.282 12.707 1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.677 12.217 1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.061 12.879 3.455 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.006 13.912 2.356 1.00 0.00 H new ATOM 450 N VAL A 57 -7.374 15.110 -0.078 1.00 0.00 N ATOM 451 CA VAL A 57 -7.590 15.536 -1.450 1.00 0.00 C ATOM 452 C VAL A 57 -6.415 15.075 -2.314 1.00 0.00 C ATOM 453 O VAL A 57 -6.607 14.629 -3.443 1.00 0.00 O ATOM 454 CB VAL A 57 -7.813 17.048 -1.499 1.00 0.00 C ATOM 455 CG1 VAL A 57 -6.486 17.801 -1.375 1.00 0.00 C ATOM 456 CG2 VAL A 57 -8.556 17.452 -2.774 1.00 0.00 C ATOM 0 H VAL A 57 -7.366 15.866 0.607 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.491 15.076 -1.856 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.436 17.323 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.672 18.874 -1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.011 17.548 -0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.829 17.518 -2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.702 18.532 -2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.971 17.157 -3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.526 16.955 -2.803 1.00 0.00 H new ATOM 457 N LEU A 58 -5.222 15.200 -1.749 1.00 0.00 N ATOM 458 CA LEU A 58 -4.016 14.803 -2.453 1.00 0.00 C ATOM 459 C LEU A 58 -3.930 13.275 -2.488 1.00 0.00 C ATOM 460 O LEU A 58 -3.353 12.703 -3.412 1.00 0.00 O ATOM 461 CB LEU A 58 -2.788 15.473 -1.834 1.00 0.00 C ATOM 462 CG LEU A 58 -2.596 15.264 -0.331 1.00 0.00 C ATOM 463 CD1 LEU A 58 -2.486 13.775 0.006 1.00 0.00 C ATOM 464 CD2 LEU A 58 -1.396 16.058 0.185 1.00 0.00 C ATOM 0 H LEU A 58 -5.066 15.571 -0.812 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.050 15.145 -3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.900 15.105 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.847 16.544 -2.027 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.479 15.646 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.350 13.654 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.397 13.263 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.632 13.345 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.283 15.891 1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.494 15.730 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.555 17.120 -0.002 1.00 0.00 H new ATOM 465 N ARG A 59 -4.513 12.658 -1.471 1.00 0.00 N ATOM 466 CA ARG A 59 -4.510 11.209 -1.373 1.00 0.00 C ATOM 467 C ARG A 59 -5.554 10.611 -2.318 1.00 0.00 C ATOM 468 O ARG A 59 -5.571 9.403 -2.547 1.00 0.00 O ATOM 469 CB ARG A 59 -4.805 10.753 0.057 1.00 0.00 C ATOM 470 CG ARG A 59 -3.531 10.742 0.904 1.00 0.00 C ATOM 471 CD ARG A 59 -3.789 11.339 2.289 1.00 0.00 C ATOM 472 NE ARG A 59 -3.229 10.452 3.334 1.00 0.00 N ATOM 473 CZ ARG A 59 -3.589 10.492 4.624 1.00 0.00 C ATOM 0 H ARG A 59 -4.991 13.136 -0.707 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.517 10.860 -1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.541 11.418 0.510 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.244 9.755 0.041 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.167 9.720 1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.749 11.310 0.399 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.336 12.328 2.358 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.860 11.468 2.445 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.526 9.768 3.055 1.00 0.00 H new ATOM 474 N ASN A 60 -6.401 11.485 -2.843 1.00 0.00 N ATOM 475 CA ASN A 60 -7.446 11.059 -3.758 1.00 0.00 C ATOM 476 C ASN A 60 -6.919 11.125 -5.193 1.00 0.00 C ATOM 477 O ASN A 60 -7.257 10.280 -6.021 1.00 0.00 O ATOM 478 CB ASN A 60 -8.669 11.972 -3.660 1.00 0.00 C ATOM 479 CG ASN A 60 -9.894 11.198 -3.171 1.00 0.00 C ATOM 480 OD1 ASN A 60 -10.304 10.204 -3.749 1.00 0.00 O ATOM 481 ND2 ASN A 60 -10.454 11.705 -2.077 1.00 0.00 N ATOM 0 H ASN A 60 -6.384 12.487 -2.652 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.734 10.042 -3.492 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.459 12.795 -2.978 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.878 12.412 -4.635 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.277 11.259 -1.672 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.060 12.540 -1.643 1.00 0.00 H new ATOM 482 N LYS A 61 -6.101 12.137 -5.442 1.00 0.00 N ATOM 483 CA LYS A 61 -5.525 12.323 -6.763 1.00 0.00 C ATOM 484 C LYS A 61 -4.402 11.306 -6.974 1.00 0.00 C ATOM 485 O LYS A 61 -3.900 11.151 -8.087 1.00 0.00 O ATOM 486 CB LYS A 61 -5.082 13.775 -6.954 1.00 0.00 C ATOM 487 CG LYS A 61 -5.651 14.356 -8.251 1.00 0.00 C ATOM 488 CD LYS A 61 -5.312 15.842 -8.381 1.00 0.00 C ATOM 489 CE LYS A 61 -6.325 16.560 -9.274 1.00 0.00 C ATOM 490 NZ LYS A 61 -7.624 16.697 -8.578 1.00 0.00 N ATOM 0 H LYS A 61 -5.824 12.836 -4.753 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.273 12.137 -7.534 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.414 14.375 -6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.993 13.827 -6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.248 13.811 -9.105 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.733 14.223 -8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.301 16.304 -7.394 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.311 15.955 -8.797 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.945 17.545 -9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.460 16.004 -10.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.165 17.476 -9.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.162 15.812 -8.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.459 16.900 -7.571 1.00 0.00 H new ATOM 491 N ILE A 62 -4.041 10.638 -5.888 1.00 0.00 N ATOM 492 CA ILE A 62 -2.986 9.640 -5.940 1.00 0.00 C ATOM 493 C ILE A 62 -3.612 8.249 -6.057 1.00 0.00 C ATOM 494 O ILE A 62 -3.038 7.356 -6.678 1.00 0.00 O ATOM 495 CB ILE A 62 -2.046 9.791 -4.743 1.00 0.00 C ATOM 496 CG1 ILE A 62 -1.255 11.099 -4.831 1.00 0.00 C ATOM 497 CG2 ILE A 62 -1.128 8.575 -4.609 1.00 0.00 C ATOM 498 CD1 ILE A 62 -0.337 11.266 -3.617 1.00 0.00 C ATOM 0 H ILE A 62 -4.460 10.768 -4.967 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.366 9.787 -6.824 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.651 9.839 -3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.661 11.109 -5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.944 11.942 -4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.470 8.709 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.731 7.678 -4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.528 8.471 -5.513 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.214 12.203 -3.703 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.936 11.280 -2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.366 10.434 -3.575 1.00 0.00 H new ATOM 499 N LYS A 63 -4.782 8.108 -5.450 1.00 0.00 N ATOM 500 CA LYS A 63 -5.493 6.841 -5.478 1.00 0.00 C ATOM 501 C LYS A 63 -6.415 6.805 -6.698 1.00 0.00 C ATOM 502 O LYS A 63 -6.600 5.754 -7.310 1.00 0.00 O ATOM 503 CB LYS A 63 -6.218 6.603 -4.152 1.00 0.00 C ATOM 504 CG LYS A 63 -7.403 7.560 -3.996 1.00 0.00 C ATOM 505 CD LYS A 63 -8.727 6.793 -3.975 1.00 0.00 C ATOM 506 CE LYS A 63 -9.344 6.723 -5.373 1.00 0.00 C ATOM 507 NZ LYS A 63 -9.047 5.418 -6.006 1.00 0.00 N ATOM 0 H LYS A 63 -5.255 8.851 -4.936 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.791 6.013 -5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.570 5.572 -4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.523 6.741 -3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.295 8.131 -3.074 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.407 8.277 -4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.561 5.784 -3.596 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.422 7.280 -3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.423 6.865 -5.308 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.952 7.531 -5.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.427 5.564 -6.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.571 4.799 -5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.934 4.973 -6.316 1.00 0.00 H new ATOM 508 N ARG A 64 -6.968 7.966 -7.016 1.00 0.00 N ATOM 509 CA ARG A 64 -7.867 8.081 -8.152 1.00 0.00 C ATOM 510 C ARG A 64 -7.096 7.886 -9.460 1.00 0.00 C ATOM 511 O ARG A 64 -7.631 7.345 -10.426 1.00 0.00 O ATOM 512 CB ARG A 64 -8.557 9.446 -8.174 1.00 0.00 C ATOM 513 CG ARG A 64 -7.618 10.527 -8.713 1.00 0.00 C ATOM 514 CD ARG A 64 -7.682 10.597 -10.240 1.00 0.00 C ATOM 515 NE ARG A 64 -8.551 11.719 -10.660 1.00 0.00 N ATOM 516 CZ ARG A 64 -8.734 12.091 -11.934 1.00 0.00 C ATOM 0 H ARG A 64 -6.811 8.836 -6.507 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.626 7.305 -8.053 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.452 9.395 -8.794 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.881 9.710 -7.167 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.890 11.494 -8.289 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.596 10.316 -8.398 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.680 10.730 -10.648 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.067 9.659 -10.639 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.041 12.242 -9.934 1.00 0.00 H new ATOM 517 N ALA A 65 -5.850 8.340 -9.449 1.00 0.00 N ATOM 518 CA ALA A 65 -5.001 8.223 -10.622 1.00 0.00 C ATOM 519 C ALA A 65 -4.848 6.746 -10.990 1.00 0.00 C ATOM 520 O ALA A 65 -4.903 6.386 -12.165 1.00 0.00 O ATOM 521 CB ALA A 65 -3.656 8.898 -10.348 1.00 0.00 C ATOM 0 H ALA A 65 -5.409 8.789 -8.646 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.452 8.730 -11.475 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.019 8.810 -11.228 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.817 9.952 -10.120 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.172 8.414 -9.500 1.00 0.00 H new ATOM 522 N ILE A 66 -4.659 5.929 -9.964 1.00 0.00 N ATOM 523 CA ILE A 66 -4.499 4.499 -10.165 1.00 0.00 C ATOM 524 C ILE A 66 -5.711 3.956 -10.923 1.00 0.00 C ATOM 525 O ILE A 66 -5.560 3.188 -11.872 1.00 0.00 O ATOM 526 CB ILE A 66 -4.242 3.797 -8.831 1.00 0.00 C ATOM 527 CG1 ILE A 66 -3.022 4.391 -8.124 1.00 0.00 C ATOM 528 CG2 ILE A 66 -4.112 2.284 -9.024 1.00 0.00 C ATOM 529 CD1 ILE A 66 -3.127 4.214 -6.607 1.00 0.00 C ATOM 0 H ILE A 66 -4.613 6.230 -8.991 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.622 4.296 -10.780 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.103 3.967 -8.184 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.115 3.908 -8.488 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.938 5.451 -8.365 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.930 1.809 -8.060 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.034 1.891 -9.454 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.280 2.073 -9.696 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.247 4.645 -6.129 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.022 4.719 -6.243 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.187 3.152 -6.368 1.00 0.00 H new ATOM 530 N ARG A 67 -6.886 4.374 -10.476 1.00 0.00 N ATOM 531 CA ARG A 67 -8.123 3.939 -11.100 1.00 0.00 C ATOM 532 C ARG A 67 -8.297 4.616 -12.462 1.00 0.00 C ATOM 533 O ARG A 67 -9.259 4.340 -13.177 1.00 0.00 O ATOM 534 CB ARG A 67 -9.329 4.265 -10.218 1.00 0.00 C ATOM 535 CG ARG A 67 -10.179 3.017 -9.969 1.00 0.00 C ATOM 536 CD ARG A 67 -10.949 3.132 -8.652 1.00 0.00 C ATOM 537 NE ARG A 67 -12.234 2.404 -8.750 1.00 0.00 N ATOM 538 CZ ARG A 67 -13.214 2.722 -9.605 1.00 0.00 C ATOM 0 H ARG A 67 -7.007 5.010 -9.688 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.066 2.859 -11.232 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.988 4.673 -9.266 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.936 5.034 -10.696 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.879 2.879 -10.793 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.539 2.135 -9.944 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.352 2.724 -7.836 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.133 4.181 -8.419 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.382 1.610 -8.127 1.00 0.00 H new ATOM 539 N GLU A 68 -7.352 5.489 -12.778 1.00 0.00 N ATOM 540 CA GLU A 68 -7.390 6.208 -14.040 1.00 0.00 C ATOM 541 C GLU A 68 -6.425 5.570 -15.042 1.00 0.00 C ATOM 542 O GLU A 68 -6.595 5.716 -16.252 1.00 0.00 O ATOM 543 CB GLU A 68 -7.069 7.689 -13.837 1.00 0.00 C ATOM 544 CG GLU A 68 -8.133 8.575 -14.488 1.00 0.00 C ATOM 545 CD GLU A 68 -7.553 9.350 -15.673 1.00 0.00 C ATOM 546 OE1 GLU A 68 -7.250 8.690 -16.689 1.00 0.00 O ATOM 547 OE2 GLU A 68 -7.426 10.586 -15.534 1.00 0.00 O ATOM 0 H GLU A 68 -6.556 5.715 -12.182 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.400 6.142 -14.444 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.010 7.909 -12.771 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.092 7.915 -14.264 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.967 7.959 -14.825 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.530 9.274 -13.751 1.00 0.00 H new ATOM 548 N ASN A 69 -5.434 4.876 -14.502 1.00 0.00 N ATOM 549 CA ASN A 69 -4.442 4.216 -15.333 1.00 0.00 C ATOM 550 C ASN A 69 -4.654 2.703 -15.269 1.00 0.00 C ATOM 551 O ASN A 69 -4.923 2.065 -16.286 1.00 0.00 O ATOM 552 CB ASN A 69 -3.024 4.517 -14.844 1.00 0.00 C ATOM 553 CG ASN A 69 -2.143 5.019 -15.988 1.00 0.00 C ATOM 554 OD1 ASN A 69 -2.268 6.138 -16.457 1.00 0.00 O ATOM 555 ND2 ASN A 69 -1.247 4.133 -16.412 1.00 0.00 N ATOM 0 H ASN A 69 -5.297 4.756 -13.498 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.557 4.585 -16.352 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.060 5.266 -14.053 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.586 3.617 -14.412 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.612 4.374 -17.173 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.194 3.212 -15.976 1.00 0.00 H new ATOM 556 N PHE A 70 -4.526 2.171 -14.062 1.00 0.00 N ATOM 557 CA PHE A 70 -4.700 0.743 -13.851 1.00 0.00 C ATOM 558 C PHE A 70 -6.040 0.266 -14.415 1.00 0.00 C ATOM 559 O PHE A 70 -6.234 -0.930 -14.634 1.00 0.00 O ATOM 560 CB PHE A 70 -4.684 0.510 -12.339 1.00 0.00 C ATOM 561 CG PHE A 70 -3.905 -0.734 -11.909 1.00 0.00 C ATOM 562 CD1 PHE A 70 -4.309 -1.966 -12.322 1.00 0.00 C ATOM 563 CD2 PHE A 70 -2.808 -0.609 -11.116 1.00 0.00 C ATOM 564 CE1 PHE A 70 -3.585 -3.121 -11.923 1.00 0.00 C ATOM 565 CE2 PHE A 70 -2.083 -1.764 -10.717 1.00 0.00 C ATOM 566 CZ PHE A 70 -2.488 -2.996 -11.129 1.00 0.00 C ATOM 0 H PHE A 70 -4.304 2.703 -13.220 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.907 0.192 -14.356 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.251 1.384 -11.852 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.711 0.424 -11.984 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.180 -2.066 -12.953 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.487 0.369 -10.789 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.906 -4.099 -12.250 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.211 -1.664 -10.087 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.938 -3.875 -10.825 1.00 0.00 H new ATOM 567 N LYS A 71 -6.929 1.223 -14.635 1.00 0.00 N ATOM 568 CA LYS A 71 -8.244 0.915 -15.169 1.00 0.00 C ATOM 569 C LYS A 71 -8.096 0.359 -16.587 1.00 0.00 C ATOM 570 O LYS A 71 -8.642 -0.696 -16.903 1.00 0.00 O ATOM 571 CB LYS A 71 -9.159 2.138 -15.079 1.00 0.00 C ATOM 572 CG LYS A 71 -10.311 2.035 -16.080 1.00 0.00 C ATOM 573 CD LYS A 71 -9.992 2.803 -17.365 1.00 0.00 C ATOM 574 CE LYS A 71 -11.274 3.202 -18.099 1.00 0.00 C ATOM 575 NZ LYS A 71 -11.202 4.612 -18.538 1.00 0.00 N ATOM 0 H LYS A 71 -6.764 2.213 -14.453 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.727 0.141 -14.572 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.557 2.225 -14.068 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.583 3.043 -15.274 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.500 0.988 -16.316 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.223 2.431 -15.632 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.413 3.695 -17.125 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.373 2.187 -18.017 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.423 2.553 -18.962 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.134 3.062 -17.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.080 4.866 -19.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.082 5.228 -17.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.393 4.735 -19.180 1.00 0.00 H new ATOM 576 N VAL A 72 -7.356 1.097 -17.402 1.00 0.00 N ATOM 577 CA VAL A 72 -7.130 0.691 -18.779 1.00 0.00 C ATOM 578 C VAL A 72 -6.131 -0.468 -18.807 1.00 0.00 C ATOM 579 O VAL A 72 -6.291 -1.412 -19.580 1.00 0.00 O ATOM 580 CB VAL A 72 -6.676 1.892 -19.611 1.00 0.00 C ATOM 581 CG1 VAL A 72 -7.600 3.091 -19.390 1.00 0.00 C ATOM 582 CG2 VAL A 72 -5.222 2.255 -19.302 1.00 0.00 C ATOM 0 H VAL A 72 -6.906 1.973 -17.136 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.056 0.333 -19.229 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.734 1.613 -20.663 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.256 3.932 -19.993 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.616 2.826 -19.683 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.588 3.371 -18.337 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.924 3.112 -19.907 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.126 2.506 -18.246 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.578 1.406 -19.533 1.00 0.00 H new ATOM 583 N HIS A 73 -5.121 -0.357 -17.956 1.00 0.00 N ATOM 584 CA HIS A 73 -4.096 -1.384 -17.874 1.00 0.00 C ATOM 585 C HIS A 73 -4.635 -2.587 -17.097 1.00 0.00 C ATOM 586 O HIS A 73 -3.925 -3.571 -16.898 1.00 0.00 O ATOM 587 CB HIS A 73 -2.808 -0.818 -17.273 1.00 0.00 C ATOM 588 CG HIS A 73 -2.175 0.276 -18.097 1.00 0.00 C ATOM 589 ND1 HIS A 73 -1.222 0.027 -19.069 1.00 0.00 N ATOM 590 CD2 HIS A 73 -2.367 1.627 -18.085 1.00 0.00 C ATOM 591 CE1 HIS A 73 -0.863 1.181 -19.611 1.00 0.00 C ATOM 592 NE2 HIS A 73 -1.574 2.172 -18.999 1.00 0.00 N ATOM 0 H HIS A 73 -4.991 0.428 -17.318 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.840 -1.729 -18.876 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -3.024 -0.430 -16.277 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.090 -1.629 -17.151 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -0.857 -0.891 -19.325 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.049 2.162 -17.441 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.136 1.314 -20.398 1.00 0.00 H new ATOM 593 N LYS A 74 -5.886 -2.467 -16.677 1.00 0.00 N ATOM 594 CA LYS A 74 -6.529 -3.532 -15.926 1.00 0.00 C ATOM 595 C LYS A 74 -6.400 -4.846 -16.701 1.00 0.00 C ATOM 596 O LYS A 74 -6.076 -5.881 -16.123 1.00 0.00 O ATOM 597 CB LYS A 74 -7.973 -3.155 -15.590 1.00 0.00 C ATOM 598 CG LYS A 74 -8.681 -4.296 -14.857 1.00 0.00 C ATOM 599 CD LYS A 74 -10.159 -4.363 -15.247 1.00 0.00 C ATOM 600 CE LYS A 74 -10.366 -5.278 -16.457 1.00 0.00 C ATOM 601 NZ LYS A 74 -11.656 -4.978 -17.118 1.00 0.00 N ATOM 0 H LYS A 74 -6.472 -1.648 -16.843 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.031 -3.676 -14.967 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.984 -2.258 -14.971 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.513 -2.916 -16.506 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.195 -5.242 -15.094 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.591 -4.153 -13.780 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.745 -4.730 -14.404 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.524 -3.362 -15.477 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.548 -5.145 -17.165 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.347 -6.321 -16.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.781 -5.607 -17.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.434 -5.127 -16.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.660 -3.988 -17.438 1.00 0.00 H new ATOM 602 N SER A 75 -6.664 -4.759 -17.997 1.00 0.00 N ATOM 603 CA SER A 75 -6.582 -5.928 -18.857 1.00 0.00 C ATOM 604 C SER A 75 -5.141 -6.128 -19.333 1.00 0.00 C ATOM 605 O SER A 75 -4.884 -6.938 -20.220 1.00 0.00 O ATOM 606 CB SER A 75 -7.523 -5.797 -20.055 1.00 0.00 C ATOM 607 OG SER A 75 -8.778 -6.431 -19.819 1.00 0.00 O ATOM 0 H SER A 75 -6.935 -3.898 -18.472 1.00 0.00 H new ATOM 0 HA SER A 75 -6.891 -6.799 -18.280 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.685 -4.742 -20.275 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.054 -6.238 -20.935 1.00 0.00 H new ATOM 0 HG SER A 75 -9.352 -6.324 -20.606 1.00 0.00 H new ATOM 608 N HIS A 76 -4.240 -5.373 -18.721 1.00 0.00 N ATOM 609 CA HIS A 76 -2.832 -5.457 -19.071 1.00 0.00 C ATOM 610 C HIS A 76 -2.043 -6.033 -17.893 1.00 0.00 C ATOM 611 O HIS A 76 -1.024 -6.693 -18.087 1.00 0.00 O ATOM 612 CB HIS A 76 -2.304 -4.096 -19.530 1.00 0.00 C ATOM 613 CG HIS A 76 -3.241 -3.354 -20.455 1.00 0.00 C ATOM 614 ND1 HIS A 76 -4.601 -3.267 -20.462 1.00 0.00 N flip ATOM 615 CD2 HIS A 76 -2.794 -2.593 -21.520 1.00 0.00 C flip ATOM 616 CE1 HIS A 76 -4.966 -2.492 -21.476 1.00 0.00 C flip ATOM 617 NE2 HIS A 76 -3.847 -2.075 -22.134 1.00 0.00 N flip ATOM 0 H HIS A 76 -4.458 -4.701 -17.985 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.703 -6.135 -19.915 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -2.111 -3.478 -18.653 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.349 -4.240 -20.035 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -1.762 -2.446 -21.803 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.982 -2.234 -21.737 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -3.825 -1.470 -22.955 1.00 0.00 H new ATOM 618 N ILE A 77 -2.545 -5.759 -16.697 1.00 0.00 N ATOM 619 CA ILE A 77 -1.900 -6.242 -15.488 1.00 0.00 C ATOM 620 C ILE A 77 -2.198 -7.732 -15.315 1.00 0.00 C ATOM 621 O ILE A 77 -3.220 -8.224 -15.794 1.00 0.00 O ATOM 622 CB ILE A 77 -2.308 -5.388 -14.286 1.00 0.00 C ATOM 623 CG1 ILE A 77 -1.390 -4.173 -14.138 1.00 0.00 C ATOM 624 CG2 ILE A 77 -2.357 -6.228 -13.008 1.00 0.00 C ATOM 625 CD1 ILE A 77 -1.375 -3.338 -15.421 1.00 0.00 C ATOM 0 H ILE A 77 -3.390 -5.209 -16.540 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.818 -6.142 -15.568 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.315 -5.010 -14.463 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.726 -3.558 -13.303 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.378 -4.503 -13.903 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.649 -5.597 -12.169 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.084 -7.031 -13.128 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.373 -6.655 -12.815 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.715 -2.481 -15.289 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.015 -3.949 -16.249 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.384 -2.989 -15.640 1.00 0.00 H new ATOM 626 N LEU A 78 -1.290 -8.410 -14.628 1.00 0.00 N ATOM 627 CA LEU A 78 -1.444 -9.834 -14.386 1.00 0.00 C ATOM 628 C LEU A 78 -1.430 -10.095 -12.878 1.00 0.00 C ATOM 629 O LEU A 78 -1.202 -9.180 -12.089 1.00 0.00 O ATOM 630 CB LEU A 78 -0.388 -10.627 -15.157 1.00 0.00 C ATOM 631 CG LEU A 78 0.883 -9.861 -15.532 1.00 0.00 C ATOM 632 CD1 LEU A 78 0.588 -8.787 -16.580 1.00 0.00 C ATOM 633 CD2 LEU A 78 1.559 -9.279 -14.289 1.00 0.00 C ATOM 0 H LEU A 78 -0.445 -7.999 -14.231 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.406 -10.182 -14.762 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.104 -11.493 -14.559 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.843 -11.007 -16.072 1.00 0.00 H new ATOM 0 HG LEU A 78 1.585 -10.564 -15.981 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.508 -8.258 -16.828 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.185 -9.256 -17.478 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.140 -8.081 -16.182 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.459 -8.740 -14.583 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.874 -8.595 -13.789 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.826 -10.087 -13.608 1.00 0.00 H new ATOM 634 N ALA A 79 -1.676 -11.347 -12.525 1.00 0.00 N ATOM 635 CA ALA A 79 -1.694 -11.740 -11.126 1.00 0.00 C ATOM 636 C ALA A 79 -0.329 -11.449 -10.501 1.00 0.00 C ATOM 637 O ALA A 79 0.706 -11.729 -11.105 1.00 0.00 O ATOM 638 CB ALA A 79 -2.085 -13.215 -11.015 1.00 0.00 C ATOM 0 H ALA A 79 -1.865 -12.103 -13.183 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.437 -11.164 -10.575 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.099 -13.510 -9.966 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.075 -13.362 -11.446 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.360 -13.825 -11.554 1.00 0.00 H new ATOM 639 N LYS A 80 -0.369 -10.892 -9.299 1.00 0.00 N ATOM 640 CA LYS A 80 0.853 -10.560 -8.587 1.00 0.00 C ATOM 641 C LYS A 80 0.535 -9.554 -7.479 1.00 0.00 C ATOM 642 O LYS A 80 -0.076 -8.518 -7.734 1.00 0.00 O ATOM 643 CB LYS A 80 1.929 -10.081 -9.563 1.00 0.00 C ATOM 644 CG LYS A 80 2.947 -11.188 -9.845 1.00 0.00 C ATOM 645 CD LYS A 80 3.497 -11.077 -11.268 1.00 0.00 C ATOM 646 CE LYS A 80 4.918 -10.509 -11.264 1.00 0.00 C ATOM 647 NZ LYS A 80 4.897 -9.065 -10.941 1.00 0.00 N ATOM 0 H LYS A 80 -1.229 -10.662 -8.801 1.00 0.00 H new ATOM 0 HA LYS A 80 1.266 -11.446 -8.105 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.463 -9.764 -10.496 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.438 -9.211 -9.149 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.766 -11.125 -9.129 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.478 -12.162 -9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.496 -12.060 -11.740 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.847 -10.436 -11.864 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.527 -11.042 -10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.381 -10.663 -12.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.862 -8.743 -10.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.528 -8.533 -11.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.286 -8.903 -10.115 1.00 0.00 H new ATOM 648 N ASP A 81 0.964 -9.896 -6.273 1.00 0.00 N ATOM 649 CA ASP A 81 0.733 -9.035 -5.125 1.00 0.00 C ATOM 650 C ASP A 81 1.470 -7.710 -5.330 1.00 0.00 C ATOM 651 O ASP A 81 2.665 -7.612 -5.056 1.00 0.00 O ATOM 652 CB ASP A 81 1.260 -9.676 -3.841 1.00 0.00 C ATOM 653 CG ASP A 81 1.141 -11.201 -3.782 1.00 0.00 C ATOM 654 OD1 ASP A 81 0.453 -11.750 -4.670 1.00 0.00 O ATOM 655 OD2 ASP A 81 1.740 -11.782 -2.851 1.00 0.00 O ATOM 0 H ASP A 81 1.470 -10.757 -6.066 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.341 -8.876 -5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.309 -9.404 -3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.721 -9.252 -2.994 1.00 0.00 H new ATOM 656 N ILE A 82 0.726 -6.723 -5.808 1.00 0.00 N ATOM 657 CA ILE A 82 1.294 -5.409 -6.052 1.00 0.00 C ATOM 658 C ILE A 82 0.628 -4.390 -5.125 1.00 0.00 C ATOM 659 O ILE A 82 -0.518 -4.573 -4.716 1.00 0.00 O ATOM 660 CB ILE A 82 1.193 -5.049 -7.536 1.00 0.00 C ATOM 661 CG1 ILE A 82 1.423 -3.551 -7.754 1.00 0.00 C ATOM 662 CG2 ILE A 82 -0.140 -5.515 -8.124 1.00 0.00 C ATOM 663 CD1 ILE A 82 0.138 -2.758 -7.512 1.00 0.00 C ATOM 0 H ILE A 82 -0.265 -6.808 -6.033 1.00 0.00 H new ATOM 0 HA ILE A 82 2.359 -5.405 -5.818 1.00 0.00 H new ATOM 0 HB ILE A 82 1.983 -5.578 -8.070 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.205 -3.198 -7.081 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.775 -3.378 -8.771 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.186 -5.247 -9.179 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.225 -6.597 -8.021 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.961 -5.034 -7.591 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.329 -1.697 -7.674 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.634 -3.097 -8.203 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.198 -2.914 -6.487 1.00 0.00 H new ATOM 664 N ILE A 83 1.374 -3.338 -4.821 1.00 0.00 N ATOM 665 CA ILE A 83 0.870 -2.290 -3.950 1.00 0.00 C ATOM 666 C ILE A 83 1.560 -0.970 -4.296 1.00 0.00 C ATOM 667 O ILE A 83 2.733 -0.777 -3.976 1.00 0.00 O ATOM 668 CB ILE A 83 1.017 -2.696 -2.482 1.00 0.00 C ATOM 669 CG1 ILE A 83 0.386 -4.066 -2.226 1.00 0.00 C ATOM 670 CG2 ILE A 83 0.446 -1.620 -1.556 1.00 0.00 C ATOM 671 CD1 ILE A 83 0.410 -4.410 -0.735 1.00 0.00 C ATOM 0 H ILE A 83 2.324 -3.189 -5.162 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.198 -2.143 -4.110 1.00 0.00 H new ATOM 0 HB ILE A 83 2.080 -2.784 -2.257 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.642 -4.070 -2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.924 -4.829 -2.788 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.563 -1.933 -0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.980 -0.683 -1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.612 -1.476 -1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.044 -5.389 -0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.441 -4.429 -0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.150 -3.658 -0.179 1.00 0.00 H new ATOM 672 N VAL A 84 0.805 -0.095 -4.943 1.00 0.00 N ATOM 673 CA VAL A 84 1.331 1.202 -5.336 1.00 0.00 C ATOM 674 C VAL A 84 1.032 2.222 -4.235 1.00 0.00 C ATOM 675 O VAL A 84 -0.114 2.370 -3.814 1.00 0.00 O ATOM 676 CB VAL A 84 0.761 1.607 -6.697 1.00 0.00 C ATOM 677 CG1 VAL A 84 0.699 0.407 -7.644 1.00 0.00 C ATOM 678 CG2 VAL A 84 -0.616 2.257 -6.543 1.00 0.00 C ATOM 0 H VAL A 84 -0.167 -0.258 -5.205 1.00 0.00 H new ATOM 0 HA VAL A 84 2.414 1.157 -5.453 1.00 0.00 H new ATOM 0 HB VAL A 84 1.432 2.345 -7.136 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.290 0.722 -8.604 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.702 0.007 -7.790 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.060 -0.364 -7.213 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.999 2.535 -7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.301 1.551 -6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.530 3.148 -5.921 1.00 0.00 H new ATOM 679 N ILE A 85 2.085 2.900 -3.800 1.00 0.00 N ATOM 680 CA ILE A 85 1.950 3.901 -2.756 1.00 0.00 C ATOM 681 C ILE A 85 2.289 5.278 -3.331 1.00 0.00 C ATOM 682 O ILE A 85 2.821 5.381 -4.435 1.00 0.00 O ATOM 683 CB ILE A 85 2.791 3.520 -1.536 1.00 0.00 C ATOM 684 CG1 ILE A 85 2.629 2.037 -1.200 1.00 0.00 C ATOM 685 CG2 ILE A 85 2.461 4.418 -0.341 1.00 0.00 C ATOM 686 CD1 ILE A 85 3.816 1.224 -1.721 1.00 0.00 C ATOM 0 H ILE A 85 3.034 2.775 -4.152 1.00 0.00 H new ATOM 0 HA ILE A 85 0.920 3.947 -2.402 1.00 0.00 H new ATOM 0 HB ILE A 85 3.841 3.682 -1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.544 1.912 -0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.705 1.660 -1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.072 4.126 0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.669 5.457 -0.598 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.407 4.311 -0.086 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.676 0.173 -1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.884 1.332 -2.804 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.735 1.588 -1.262 1.00 0.00 H new ATOM 687 N ALA A 86 1.966 6.303 -2.555 1.00 0.00 N ATOM 688 CA ALA A 86 2.230 7.670 -2.973 1.00 0.00 C ATOM 689 C ALA A 86 3.616 8.091 -2.480 1.00 0.00 C ATOM 690 O ALA A 86 3.795 9.211 -2.005 1.00 0.00 O ATOM 691 CB ALA A 86 1.122 8.587 -2.450 1.00 0.00 C ATOM 0 H ALA A 86 1.524 6.214 -1.640 1.00 0.00 H new ATOM 0 HA ALA A 86 2.230 7.745 -4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.320 9.612 -2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.162 8.264 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.094 8.539 -1.361 1.00 0.00 H new ATOM 692 N ARG A 87 4.560 7.170 -2.610 1.00 0.00 N ATOM 693 CA ARG A 87 5.924 7.432 -2.183 1.00 0.00 C ATOM 694 C ARG A 87 5.930 8.339 -0.951 1.00 0.00 C ATOM 695 O ARG A 87 5.862 7.858 0.179 1.00 0.00 O ATOM 696 CB ARG A 87 6.733 8.095 -3.300 1.00 0.00 C ATOM 697 CG ARG A 87 8.145 8.441 -2.824 1.00 0.00 C ATOM 698 CD ARG A 87 9.031 7.195 -2.786 1.00 0.00 C ATOM 699 NE ARG A 87 10.458 7.586 -2.823 1.00 0.00 N ATOM 700 CZ ARG A 87 11.470 6.769 -2.504 1.00 0.00 C ATOM 0 H ARG A 87 4.407 6.242 -3.005 1.00 0.00 H new ATOM 0 HA ARG A 87 6.383 6.475 -1.936 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.789 7.427 -4.159 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.226 9.000 -3.633 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.585 9.184 -3.489 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.099 8.889 -1.831 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.826 6.621 -1.882 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.801 6.549 -3.633 1.00 0.00 H new ATOM 0 HE ARG A 87 10.685 8.538 -3.110 1.00 0.00 H new ATOM 701 N GLN A 88 6.012 9.636 -1.210 1.00 0.00 N ATOM 702 CA GLN A 88 6.028 10.615 -0.137 1.00 0.00 C ATOM 703 C GLN A 88 5.874 12.028 -0.704 1.00 0.00 C ATOM 704 O GLN A 88 4.959 12.756 -0.323 1.00 0.00 O ATOM 705 CB GLN A 88 7.307 10.495 0.695 1.00 0.00 C ATOM 706 CG GLN A 88 6.982 10.177 2.157 1.00 0.00 C ATOM 707 CD GLN A 88 7.947 9.132 2.718 1.00 0.00 C ATOM 708 OE1 GLN A 88 9.023 9.441 3.203 1.00 0.00 O ATOM 709 NE2 GLN A 88 7.503 7.881 2.627 1.00 0.00 N ATOM 0 H GLN A 88 6.068 10.032 -2.149 1.00 0.00 H new ATOM 0 HA GLN A 88 5.184 10.416 0.523 1.00 0.00 H new ATOM 0 HB2 GLN A 88 7.942 9.712 0.281 1.00 0.00 H new ATOM 0 HB3 GLN A 88 7.871 11.426 0.638 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.040 11.088 2.753 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.958 9.811 2.234 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.592 7.692 2.209 1.00 0.00 H new ATOM 0 HE22 GLN A 88 8.074 7.111 2.975 1.00 0.00 H new ATOM 710 N PRO A 89 6.806 12.381 -1.629 1.00 0.00 N ATOM 711 CA PRO A 89 6.782 13.693 -2.252 1.00 0.00 C ATOM 712 C PRO A 89 5.664 13.786 -3.293 1.00 0.00 C ATOM 713 O PRO A 89 5.564 14.775 -4.016 1.00 0.00 O ATOM 714 CB PRO A 89 8.167 13.869 -2.853 1.00 0.00 C ATOM 715 CG PRO A 89 8.760 12.472 -2.948 1.00 0.00 C ATOM 716 CD PRO A 89 7.903 11.543 -2.105 1.00 0.00 C ATOM 0 HA PRO A 89 6.565 14.491 -1.542 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.110 14.337 -3.836 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.785 14.514 -2.228 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.781 12.136 -3.985 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.790 12.470 -2.591 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.533 10.703 -2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.471 11.125 -1.274 1.00 0.00 H new ATOM 717 N ALA A 90 4.850 12.741 -3.335 1.00 0.00 N ATOM 718 CA ALA A 90 3.743 12.691 -4.274 1.00 0.00 C ATOM 719 C ALA A 90 2.596 13.558 -3.751 1.00 0.00 C ATOM 720 O ALA A 90 1.434 13.163 -3.818 1.00 0.00 O ATOM 721 CB ALA A 90 3.322 11.237 -4.492 1.00 0.00 C ATOM 0 H ALA A 90 4.936 11.922 -2.733 1.00 0.00 H new ATOM 0 HA ALA A 90 4.044 13.091 -5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.491 11.201 -5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.163 10.671 -4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.011 10.802 -3.542 1.00 0.00 H new ATOM 722 N LYS A 91 2.964 14.725 -3.241 1.00 0.00 N ATOM 723 CA LYS A 91 1.981 15.651 -2.706 1.00 0.00 C ATOM 724 C LYS A 91 2.058 16.971 -3.476 1.00 0.00 C ATOM 725 O LYS A 91 1.308 17.903 -3.194 1.00 0.00 O ATOM 726 CB LYS A 91 2.161 15.810 -1.195 1.00 0.00 C ATOM 727 CG LYS A 91 3.274 16.809 -0.877 1.00 0.00 C ATOM 728 CD LYS A 91 2.702 18.095 -0.277 1.00 0.00 C ATOM 729 CE LYS A 91 3.736 18.794 0.608 1.00 0.00 C ATOM 730 NZ LYS A 91 3.070 19.497 1.727 1.00 0.00 N ATOM 0 H LYS A 91 3.929 15.050 -3.187 1.00 0.00 H new ATOM 0 HA LYS A 91 0.974 15.258 -2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.226 16.147 -0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.397 14.843 -0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.981 16.361 -0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.828 17.043 -1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.390 18.766 -1.077 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.813 17.863 0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.442 18.062 1.000 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.310 19.505 0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.786 19.966 2.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.413 20.209 1.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.542 18.811 2.303 1.00 0.00 H new ATOM 731 N ASP A 92 2.971 17.007 -4.435 1.00 0.00 N ATOM 732 CA ASP A 92 3.157 18.197 -5.248 1.00 0.00 C ATOM 733 C ASP A 92 2.975 17.835 -6.723 1.00 0.00 C ATOM 734 O ASP A 92 3.306 18.626 -7.605 1.00 0.00 O ATOM 735 CB ASP A 92 4.563 18.772 -5.071 1.00 0.00 C ATOM 736 CG ASP A 92 5.698 17.860 -5.543 1.00 0.00 C ATOM 737 OD1 ASP A 92 5.824 17.702 -6.776 1.00 0.00 O ATOM 738 OD2 ASP A 92 6.415 17.342 -4.659 1.00 0.00 O ATOM 0 H ASP A 92 3.590 16.231 -4.668 1.00 0.00 H new ATOM 0 HA ASP A 92 2.423 18.939 -4.933 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.625 19.715 -5.614 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.716 19.001 -4.016 1.00 0.00 H new ATOM 739 N MET A 93 2.451 16.639 -6.946 1.00 0.00 N ATOM 740 CA MET A 93 2.221 16.162 -8.299 1.00 0.00 C ATOM 741 C MET A 93 0.731 15.929 -8.553 1.00 0.00 C ATOM 742 O MET A 93 -0.052 15.811 -7.612 1.00 0.00 O ATOM 743 CB MET A 93 2.987 14.855 -8.517 1.00 0.00 C ATOM 744 CG MET A 93 3.181 14.107 -7.196 1.00 0.00 C ATOM 745 SD MET A 93 1.598 13.625 -6.528 1.00 0.00 S ATOM 746 CE MET A 93 1.379 12.056 -7.350 1.00 0.00 C ATOM 0 H MET A 93 2.179 15.985 -6.212 1.00 0.00 H new ATOM 0 HA MET A 93 2.574 16.921 -8.996 1.00 0.00 H new ATOM 0 HB2 MET A 93 2.444 14.224 -9.220 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.958 15.068 -8.964 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.801 13.225 -7.356 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.707 14.742 -6.483 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.413 12.041 -7.855 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.173 11.915 -8.083 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.417 11.252 -6.615 1.00 0.00 H new ATOM 747 N THR A 94 0.384 15.871 -9.831 1.00 0.00 N ATOM 748 CA THR A 94 -1.000 15.654 -10.221 1.00 0.00 C ATOM 749 C THR A 94 -1.156 14.290 -10.896 1.00 0.00 C ATOM 750 O THR A 94 -0.187 13.735 -11.414 1.00 0.00 O ATOM 751 CB THR A 94 -1.430 16.824 -11.107 1.00 0.00 C ATOM 752 OG1 THR A 94 -0.320 17.025 -11.979 1.00 0.00 O ATOM 753 CG2 THR A 94 -1.537 18.139 -10.331 1.00 0.00 C ATOM 0 H THR A 94 1.036 15.970 -10.609 1.00 0.00 H new ATOM 0 HA THR A 94 -1.657 15.628 -9.352 1.00 0.00 H new ATOM 0 HB THR A 94 -2.391 16.596 -11.568 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.514 17.766 -12.590 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.845 18.936 -11.007 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.274 18.033 -9.535 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.568 18.386 -9.897 1.00 0.00 H new ATOM 754 N THR A 95 -2.382 13.789 -10.869 1.00 0.00 N ATOM 755 CA THR A 95 -2.678 12.501 -11.473 1.00 0.00 C ATOM 756 C THR A 95 -2.074 12.419 -12.876 1.00 0.00 C ATOM 757 O THR A 95 -1.863 11.327 -13.403 1.00 0.00 O ATOM 758 CB THR A 95 -4.195 12.305 -11.452 1.00 0.00 C ATOM 759 OG1 THR A 95 -4.408 11.364 -10.402 1.00 0.00 O ATOM 760 CG2 THR A 95 -4.711 11.593 -12.703 1.00 0.00 C ATOM 0 H THR A 95 -3.182 14.252 -10.438 1.00 0.00 H new ATOM 0 HA THR A 95 -2.224 11.686 -10.909 1.00 0.00 H new ATOM 0 HB THR A 95 -4.685 13.274 -11.359 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.093 11.742 -9.555 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.793 11.479 -12.637 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.461 12.182 -13.586 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.247 10.610 -12.779 1.00 0.00 H new ATOM 761 N LEU A 96 -1.814 13.588 -13.444 1.00 0.00 N ATOM 762 CA LEU A 96 -1.240 13.662 -14.776 1.00 0.00 C ATOM 763 C LEU A 96 0.229 13.237 -14.718 1.00 0.00 C ATOM 764 O LEU A 96 0.714 12.541 -15.609 1.00 0.00 O ATOM 765 CB LEU A 96 -1.454 15.053 -15.376 1.00 0.00 C ATOM 766 CG LEU A 96 -1.220 15.178 -16.882 1.00 0.00 C ATOM 767 CD1 LEU A 96 0.220 15.602 -17.180 1.00 0.00 C ATOM 768 CD2 LEU A 96 -1.597 13.883 -17.605 1.00 0.00 C ATOM 0 H LEU A 96 -1.991 14.492 -13.005 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.747 12.969 -15.448 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.475 15.367 -15.160 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.791 15.752 -14.866 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.873 15.963 -17.265 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.360 15.683 -18.258 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.419 16.567 -16.714 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.909 14.858 -16.780 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.421 13.999 -18.674 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.988 13.063 -17.224 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.651 13.663 -17.432 1.00 0.00 H new ATOM 769 N GLN A 97 0.897 13.674 -13.661 1.00 0.00 N ATOM 770 CA GLN A 97 2.301 13.348 -13.474 1.00 0.00 C ATOM 771 C GLN A 97 2.444 11.953 -12.862 1.00 0.00 C ATOM 772 O GLN A 97 3.389 11.228 -13.174 1.00 0.00 O ATOM 773 CB GLN A 97 2.999 14.399 -12.611 1.00 0.00 C ATOM 774 CG GLN A 97 2.490 15.805 -12.940 1.00 0.00 C ATOM 775 CD GLN A 97 3.336 16.871 -12.243 1.00 0.00 C ATOM 776 OE1 GLN A 97 4.444 16.626 -11.793 1.00 0.00 O ATOM 777 NE2 GLN A 97 2.756 18.066 -12.178 1.00 0.00 N ATOM 0 H GLN A 97 0.492 14.252 -12.924 1.00 0.00 H new ATOM 0 HA GLN A 97 2.787 13.348 -14.450 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.825 14.183 -11.557 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.076 14.351 -12.773 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.517 15.962 -14.018 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.450 15.901 -12.629 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.826 18.204 -12.575 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.241 18.845 -11.732 1.00 0.00 H new ATOM 778 N ILE A 98 1.494 11.618 -12.002 1.00 0.00 N ATOM 779 CA ILE A 98 1.503 10.322 -11.344 1.00 0.00 C ATOM 780 C ILE A 98 1.278 9.224 -12.385 1.00 0.00 C ATOM 781 O ILE A 98 1.944 8.190 -12.356 1.00 0.00 O ATOM 782 CB ILE A 98 0.492 10.298 -10.195 1.00 0.00 C ATOM 783 CG1 ILE A 98 1.034 9.505 -9.005 1.00 0.00 C ATOM 784 CG2 ILE A 98 -0.863 9.767 -10.669 1.00 0.00 C ATOM 785 CD1 ILE A 98 -0.011 9.404 -7.892 1.00 0.00 C ATOM 0 H ILE A 98 0.713 12.221 -11.745 1.00 0.00 H new ATOM 0 HA ILE A 98 2.475 10.133 -10.887 1.00 0.00 H new ATOM 0 HB ILE A 98 0.336 11.322 -9.855 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.322 8.505 -9.330 1.00 0.00 H new ATOM 0 HG13 ILE A 98 1.933 9.987 -8.622 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.563 9.760 -9.834 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.249 10.409 -11.461 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.743 8.753 -11.050 1.00 0.00 H new ATOM 0 HD11 ILE A 98 0.400 8.835 -7.058 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.279 10.405 -7.552 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.900 8.900 -8.272 1.00 0.00 H new ATOM 786 N GLN A 99 0.337 9.486 -13.281 1.00 0.00 N ATOM 787 CA GLN A 99 0.015 8.533 -14.328 1.00 0.00 C ATOM 788 C GLN A 99 1.150 8.468 -15.353 1.00 0.00 C ATOM 789 O GLN A 99 1.363 7.435 -15.985 1.00 0.00 O ATOM 790 CB GLN A 99 -1.312 8.885 -15.002 1.00 0.00 C ATOM 791 CG GLN A 99 -1.197 10.189 -15.794 1.00 0.00 C ATOM 792 CD GLN A 99 -2.575 10.694 -16.223 1.00 0.00 C ATOM 793 OE1 GLN A 99 -3.444 10.813 -15.224 1.00 0.00 O flip ATOM 794 NE2 GLN A 99 -2.833 10.958 -17.387 1.00 0.00 N flip ATOM 0 H GLN A 99 -0.212 10.345 -13.303 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.097 7.548 -13.874 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.611 8.076 -15.668 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.093 8.981 -14.247 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -0.702 10.946 -15.185 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.574 10.030 -16.674 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.119 10.844 -18.106 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.763 11.292 -17.640 1.00 0.00 H new ATOM 795 N ASN A 100 1.848 9.587 -15.487 1.00 0.00 N ATOM 796 CA ASN A 100 2.956 9.669 -16.424 1.00 0.00 C ATOM 797 C ASN A 100 4.146 8.881 -15.873 1.00 0.00 C ATOM 798 O ASN A 100 5.036 8.487 -16.624 1.00 0.00 O ATOM 799 CB ASN A 100 3.401 11.119 -16.622 1.00 0.00 C ATOM 800 CG ASN A 100 2.419 11.878 -17.517 1.00 0.00 C ATOM 801 OD1 ASN A 100 1.279 11.484 -17.703 1.00 0.00 O ATOM 802 ND2 ASN A 100 2.923 12.983 -18.059 1.00 0.00 N ATOM 0 H ASN A 100 1.668 10.443 -14.963 1.00 0.00 H new ATOM 0 HA ASN A 100 2.622 9.259 -17.377 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.475 11.616 -15.654 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.395 11.140 -17.068 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.347 13.559 -18.673 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.886 13.255 -17.861 1.00 0.00 H new ATOM 803 N SER A 101 4.122 8.673 -14.564 1.00 0.00 N ATOM 804 CA SER A 101 5.188 7.939 -13.904 1.00 0.00 C ATOM 805 C SER A 101 4.719 6.519 -13.578 1.00 0.00 C ATOM 806 O SER A 101 5.537 5.612 -13.425 1.00 0.00 O ATOM 807 CB SER A 101 5.642 8.653 -12.630 1.00 0.00 C ATOM 808 OG SER A 101 7.053 8.848 -12.602 1.00 0.00 O ATOM 0 H SER A 101 3.381 9.000 -13.944 1.00 0.00 H new ATOM 0 HA SER A 101 6.040 7.888 -14.582 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.141 9.618 -12.557 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.339 8.070 -11.760 1.00 0.00 H new ATOM 0 HG SER A 101 7.303 9.308 -11.774 1.00 0.00 H new ATOM 809 N LEU A 102 3.406 6.370 -13.479 1.00 0.00 N ATOM 810 CA LEU A 102 2.820 5.077 -13.174 1.00 0.00 C ATOM 811 C LEU A 102 3.265 4.059 -14.226 1.00 0.00 C ATOM 812 O LEU A 102 3.443 2.881 -13.919 1.00 0.00 O ATOM 813 CB LEU A 102 1.302 5.195 -13.037 1.00 0.00 C ATOM 814 CG LEU A 102 0.644 4.258 -12.021 1.00 0.00 C ATOM 815 CD1 LEU A 102 -0.799 4.681 -11.739 1.00 0.00 C ATOM 816 CD2 LEU A 102 0.734 2.801 -12.482 1.00 0.00 C ATOM 0 H LEU A 102 2.731 7.125 -13.605 1.00 0.00 H new ATOM 0 HA LEU A 102 3.176 4.716 -12.209 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.061 6.222 -12.763 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.854 5.012 -14.014 1.00 0.00 H new ATOM 0 HG LEU A 102 1.191 4.334 -11.081 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.243 3.999 -11.014 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.809 5.694 -11.337 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.374 4.652 -12.664 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.259 2.156 -11.743 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.226 2.690 -13.440 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.781 2.518 -12.592 1.00 0.00 H new ATOM 817 N GLU A 103 3.430 4.550 -15.446 1.00 0.00 N ATOM 818 CA GLU A 103 3.851 3.698 -16.545 1.00 0.00 C ATOM 819 C GLU A 103 5.319 3.300 -16.378 1.00 0.00 C ATOM 820 O GLU A 103 5.879 2.606 -17.224 1.00 0.00 O ATOM 821 CB GLU A 103 3.620 4.387 -17.891 1.00 0.00 C ATOM 822 CG GLU A 103 2.438 3.760 -18.633 1.00 0.00 C ATOM 823 CD GLU A 103 2.912 2.979 -19.861 1.00 0.00 C ATOM 824 OE1 GLU A 103 3.033 3.619 -20.927 1.00 0.00 O ATOM 825 OE2 GLU A 103 3.143 1.761 -19.704 1.00 0.00 O ATOM 0 H GLU A 103 3.280 5.527 -15.697 1.00 0.00 H new ATOM 0 HA GLU A 103 3.246 2.792 -16.528 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.432 5.449 -17.732 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.519 4.310 -18.502 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.895 3.095 -17.962 1.00 0.00 H new ATOM 0 HG3 GLU A 103 1.742 4.540 -18.941 1.00 0.00 H new ATOM 826 N HIS A 104 5.901 3.758 -15.278 1.00 0.00 N ATOM 827 CA HIS A 104 7.293 3.459 -14.989 1.00 0.00 C ATOM 828 C HIS A 104 7.381 2.599 -13.726 1.00 0.00 C ATOM 829 O HIS A 104 7.708 1.416 -13.798 1.00 0.00 O ATOM 830 CB HIS A 104 8.116 4.744 -14.890 1.00 0.00 C ATOM 831 CG HIS A 104 9.472 4.558 -14.253 1.00 0.00 C ATOM 832 ND1 HIS A 104 9.908 3.649 -13.333 1.00 0.00 N flip ATOM 833 CD2 HIS A 104 10.556 5.366 -14.548 1.00 0.00 C flip ATOM 834 CE1 HIS A 104 11.189 3.888 -13.081 1.00 0.00 C flip ATOM 835 NE2 HIS A 104 11.593 4.953 -13.833 1.00 0.00 N flip ATOM 0 H HIS A 104 5.434 4.333 -14.577 1.00 0.00 H new ATOM 0 HA HIS A 104 7.723 2.884 -15.809 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.249 5.156 -15.890 1.00 0.00 H new ATOM 0 HB3 HIS A 104 7.554 5.480 -14.315 1.00 0.00 H new ATOM 0 HD2 HIS A 104 10.557 6.193 -15.243 1.00 0.00 H new ATOM 0 HE1 HIS A 104 11.809 3.332 -12.394 1.00 0.00 H new ATOM 0 HE2 HIS A 104 12.528 5.360 -13.843 1.00 0.00 H new ATOM 836 N VAL A 105 7.084 3.229 -12.598 1.00 0.00 N ATOM 837 CA VAL A 105 7.126 2.537 -11.322 1.00 0.00 C ATOM 838 C VAL A 105 6.470 1.163 -11.469 1.00 0.00 C ATOM 839 O VAL A 105 7.044 0.151 -11.070 1.00 0.00 O ATOM 840 CB VAL A 105 6.472 3.398 -10.238 1.00 0.00 C ATOM 841 CG1 VAL A 105 4.946 3.354 -10.350 1.00 0.00 C ATOM 842 CG2 VAL A 105 6.933 2.969 -8.845 1.00 0.00 C ATOM 0 H VAL A 105 6.813 4.211 -12.542 1.00 0.00 H new ATOM 0 HA VAL A 105 8.158 2.373 -11.011 1.00 0.00 H new ATOM 0 HB VAL A 105 6.789 4.429 -10.392 1.00 0.00 H new ATOM 0 HG11 VAL A 105 4.506 3.974 -9.569 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.642 3.731 -11.327 1.00 0.00 H new ATOM 0 HG13 VAL A 105 4.602 2.326 -10.235 1.00 0.00 H new ATOM 0 HG21 VAL A 105 6.454 3.597 -8.094 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.660 1.928 -8.676 1.00 0.00 H new ATOM 0 HG23 VAL A 105 8.015 3.077 -8.771 1.00 0.00 H new ATOM 843 N LEU A 106 5.277 1.171 -12.045 1.00 0.00 N ATOM 844 CA LEU A 106 4.537 -0.063 -12.251 1.00 0.00 C ATOM 845 C LEU A 106 5.267 -0.924 -13.282 1.00 0.00 C ATOM 846 O LEU A 106 5.336 -2.145 -13.140 1.00 0.00 O ATOM 847 CB LEU A 106 3.083 0.239 -12.621 1.00 0.00 C ATOM 848 CG LEU A 106 2.620 -0.267 -13.989 1.00 0.00 C ATOM 849 CD1 LEU A 106 2.324 -1.768 -13.945 1.00 0.00 C ATOM 850 CD2 LEU A 106 1.423 0.539 -14.496 1.00 0.00 C ATOM 0 H LEU A 106 4.804 2.012 -12.376 1.00 0.00 H new ATOM 0 HA LEU A 106 4.493 -0.639 -11.327 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.437 -0.195 -11.858 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.937 1.319 -12.586 1.00 0.00 H new ATOM 0 HG LEU A 106 3.432 -0.119 -14.701 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.997 -2.103 -14.929 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.226 -2.309 -13.659 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.538 -1.963 -13.215 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.114 0.159 -15.470 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.597 0.446 -13.791 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.704 1.588 -14.589 1.00 0.00 H new ATOM 851 N LYS A 107 5.794 -0.257 -14.298 1.00 0.00 N ATOM 852 CA LYS A 107 6.518 -0.947 -15.352 1.00 0.00 C ATOM 853 C LYS A 107 7.693 -1.713 -14.742 1.00 0.00 C ATOM 854 O LYS A 107 8.174 -2.685 -15.323 1.00 0.00 O ATOM 855 CB LYS A 107 6.927 0.035 -16.452 1.00 0.00 C ATOM 856 CG LYS A 107 7.909 -0.614 -17.429 1.00 0.00 C ATOM 857 CD LYS A 107 9.356 -0.377 -16.991 1.00 0.00 C ATOM 858 CE LYS A 107 10.111 0.462 -18.024 1.00 0.00 C ATOM 859 NZ LYS A 107 10.902 1.520 -17.355 1.00 0.00 N ATOM 0 H LYS A 107 5.734 0.755 -14.414 1.00 0.00 H new ATOM 0 HA LYS A 107 5.876 -1.683 -15.836 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.042 0.372 -16.991 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.383 0.918 -16.005 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.714 -1.685 -17.488 1.00 0.00 H new ATOM 0 HG3 LYS A 107 7.756 -0.206 -18.428 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.369 0.130 -16.026 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.860 -1.334 -16.856 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.771 -0.178 -18.609 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.405 0.913 -18.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 11.408 2.080 -18.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.265 2.141 -16.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.589 1.083 -16.708 1.00 0.00 H new ATOM 860 N ILE A 108 8.122 -1.245 -13.579 1.00 0.00 N ATOM 861 CA ILE A 108 9.232 -1.874 -12.884 1.00 0.00 C ATOM 862 C ILE A 108 8.694 -2.949 -11.939 1.00 0.00 C ATOM 863 O ILE A 108 9.424 -3.856 -11.543 1.00 0.00 O ATOM 864 CB ILE A 108 10.094 -0.820 -12.187 1.00 0.00 C ATOM 865 CG1 ILE A 108 10.558 0.251 -13.178 1.00 0.00 C ATOM 866 CG2 ILE A 108 11.270 -1.470 -11.454 1.00 0.00 C ATOM 867 CD1 ILE A 108 11.826 0.947 -12.679 1.00 0.00 C ATOM 0 H ILE A 108 7.721 -0.438 -13.101 1.00 0.00 H new ATOM 0 HA ILE A 108 9.891 -2.374 -13.594 1.00 0.00 H new ATOM 0 HB ILE A 108 9.482 -0.321 -11.435 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.748 -0.205 -14.150 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.767 0.987 -13.320 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.867 -0.698 -10.967 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.892 -2.164 -10.703 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.890 -2.011 -12.169 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.134 1.703 -13.401 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.626 1.423 -11.719 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.622 0.212 -12.561 1.00 0.00 H new ATOM 868 N ALA A 109 7.419 -2.813 -11.603 1.00 0.00 N ATOM 869 CA ALA A 109 6.773 -3.761 -10.712 1.00 0.00 C ATOM 870 C ALA A 109 6.737 -5.138 -11.378 1.00 0.00 C ATOM 871 O ALA A 109 6.712 -6.161 -10.695 1.00 0.00 O ATOM 872 CB ALA A 109 5.376 -3.252 -10.350 1.00 0.00 C ATOM 0 H ALA A 109 6.816 -2.059 -11.933 1.00 0.00 H new ATOM 0 HA ALA A 109 7.335 -3.859 -9.783 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.891 -3.964 -9.681 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.458 -2.285 -9.853 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.782 -3.144 -11.257 1.00 0.00 H new ATOM 873 N LYS A 110 6.737 -5.119 -12.703 1.00 0.00 N ATOM 874 CA LYS A 110 6.706 -6.354 -13.469 1.00 0.00 C ATOM 875 C LYS A 110 5.267 -6.867 -13.540 1.00 0.00 C ATOM 876 O LYS A 110 5.035 -8.036 -13.843 1.00 0.00 O ATOM 877 CB LYS A 110 7.693 -7.369 -12.890 1.00 0.00 C ATOM 878 CG LYS A 110 9.022 -6.700 -12.533 1.00 0.00 C ATOM 879 CD LYS A 110 10.166 -7.276 -13.369 1.00 0.00 C ATOM 880 CE LYS A 110 11.408 -7.516 -12.507 1.00 0.00 C ATOM 881 NZ LYS A 110 12.192 -8.656 -13.033 1.00 0.00 N ATOM 0 H LYS A 110 6.758 -4.268 -13.266 1.00 0.00 H new ATOM 0 HA LYS A 110 7.033 -6.176 -14.493 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.264 -7.832 -12.001 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.866 -8.166 -13.613 1.00 0.00 H new ATOM 0 HG2 LYS A 110 8.949 -5.625 -12.701 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.233 -6.844 -11.473 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.850 -8.213 -13.827 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.409 -6.590 -14.181 1.00 0.00 H new ATOM 0 HE2 LYS A 110 12.026 -6.618 -12.492 1.00 0.00 H new ATOM 0 HE3 LYS A 110 11.110 -7.716 -11.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 13.031 -8.805 -12.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 11.605 -9.514 -13.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 12.492 -8.451 -14.007 1.00 0.00 H new ATOM 882 N VAL A 111 4.336 -5.967 -13.257 1.00 0.00 N ATOM 883 CA VAL A 111 2.925 -6.315 -13.286 1.00 0.00 C ATOM 884 C VAL A 111 2.365 -6.037 -14.683 1.00 0.00 C ATOM 885 O VAL A 111 1.172 -5.781 -14.836 1.00 0.00 O ATOM 886 CB VAL A 111 2.179 -5.564 -12.182 1.00 0.00 C ATOM 887 CG1 VAL A 111 2.880 -5.734 -10.832 1.00 0.00 C ATOM 888 CG2 VAL A 111 2.021 -4.083 -12.536 1.00 0.00 C ATOM 0 H VAL A 111 4.531 -4.998 -13.007 1.00 0.00 H new ATOM 0 HA VAL A 111 2.789 -7.378 -13.087 1.00 0.00 H new ATOM 0 HB VAL A 111 1.182 -5.996 -12.098 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.329 -5.190 -10.065 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.916 -6.792 -10.572 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.895 -5.341 -10.897 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.487 -3.572 -11.734 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.005 -3.632 -12.662 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.458 -3.989 -13.464 1.00 0.00 H new ATOM 889 N PHE A 112 3.252 -6.098 -15.664 1.00 0.00 N ATOM 890 CA PHE A 112 2.861 -5.856 -17.043 1.00 0.00 C ATOM 891 C PHE A 112 3.325 -6.996 -17.952 1.00 0.00 C ATOM 892 O PHE A 112 4.522 -7.250 -18.072 1.00 0.00 O ATOM 893 CB PHE A 112 3.544 -4.559 -17.480 1.00 0.00 C ATOM 894 CG PHE A 112 2.627 -3.335 -17.456 1.00 0.00 C ATOM 895 CD1 PHE A 112 1.334 -3.444 -17.863 1.00 0.00 C ATOM 896 CD2 PHE A 112 3.106 -2.135 -17.027 1.00 0.00 C ATOM 897 CE1 PHE A 112 0.483 -2.308 -17.840 1.00 0.00 C ATOM 898 CE2 PHE A 112 2.255 -0.999 -17.005 1.00 0.00 C ATOM 899 CZ PHE A 112 0.962 -1.109 -17.411 1.00 0.00 C ATOM 0 H PHE A 112 4.241 -6.311 -15.532 1.00 0.00 H new ATOM 0 HA PHE A 112 1.776 -5.788 -17.116 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.398 -4.373 -16.829 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.934 -4.688 -18.489 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.954 -4.396 -18.204 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.133 -2.047 -16.704 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.544 -2.395 -18.163 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.635 -0.047 -16.666 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.315 -0.244 -17.393 1.00 0.00 H new ATOM 900 N ASN A 113 2.353 -7.650 -18.571 1.00 0.00 N ATOM 901 CA ASN A 113 2.647 -8.756 -19.466 1.00 0.00 C ATOM 902 C ASN A 113 3.917 -8.441 -20.260 1.00 0.00 C ATOM 903 O ASN A 113 4.689 -9.341 -20.585 1.00 0.00 O ATOM 904 CB ASN A 113 1.508 -8.976 -20.463 1.00 0.00 C ATOM 905 CG ASN A 113 0.266 -9.531 -19.763 1.00 0.00 C ATOM 906 OD1 ASN A 113 -0.750 -8.676 -19.706 1.00 0.00 O flip ATOM 907 ND2 ASN A 113 0.233 -10.662 -19.306 1.00 0.00 N flip ATOM 0 H ASN A 113 1.361 -7.435 -18.470 1.00 0.00 H new ATOM 0 HA ASN A 113 2.775 -9.654 -18.861 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.263 -8.034 -20.954 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.830 -9.667 -21.242 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.050 -11.268 -19.384 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.612 -11.002 -18.846 1.00 0.00 H new