USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=20 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= -18.1! C(o=-28!,f=-45!) USER MOD Set 1.2: A 29 GLN : amide:sc= -0.748 K(o=-28,f=-33!) USER MOD Set 1.3: A 93 MET CE :methyl 141:sc= -9.65! (180deg=-9.24!) USER MOD Set 1.4: A 101 SER OG : rot -76:sc= 0.596 USER MOD Set 2.1: A 73 HIS : no HD1:sc= -2.18 K(o=-7,f=-9.7) USER MOD Set 2.2: A 76 HIS :FLIP no HD1:sc= -4.84! C(o=-9.6!,f=-7!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.178) USER MOD Single : A 12 ASN : amide:sc= -1.54! C(o=-1.5!,f=-1.1!) USER MOD Single : A 16 GLN : amide:sc= -2.87! C(o=-2.9!,f=-4.6!) 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= -1.18 F(o=-2.9,f=-1.2) USER MOD Single : A 24 SER OG : rot -160:sc= 0.0142 USER MOD Single : A 34 THR OG1 : rot 148:sc= 1.19 USER MOD Single : A 35 CYS SG : rot 62:sc= -0.778 USER MOD Single : A 42 HIS : no HE2:sc= 0.269 K(o=0.27,f=-1.2) USER MOD Single : A 48 SER OG : rot 129:sc= -1.45! USER MOD Single : A 50 SER OG : rot 107:sc= -0.438 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 :FLIP amide:sc= -0.0668 F(o=-1.6!,f=-0.067) USER MOD Single : A 60 ASN : amide:sc= 0.188! K(o=0.19!,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -4.51! C(o=-4.5!,f=-8.2!) USER MOD Single : A 71 LYS NZ :NH3+ -163:sc=-0.00645 (180deg=-0.0993) 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 80 LYS NZ :NH3+ 143:sc= -0.344 (180deg=-2.11!) USER MOD Single : A 88 GLN : amide:sc= -8.51! C(o=-8.5!,f=-13!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= -3.39! USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= 0.34 X(o=0.34,f=-0.041) USER MOD Single : A 100 ASN : amide:sc= -2.69 K(o=-2.7,f=-3.4!) USER MOD Single : A 104 HIS : no HE2:sc= -11! C(o=-11!,f=-11!) USER MOD Single : A 107 LYS NZ :NH3+ 166:sc= 0.306 (180deg=0.242) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN :FLIP amide:sc= -1.69 F(o=-5.3!,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 48 N TYR A 7 -9.512 -9.691 -6.991 1.00 0.00 N ATOM 49 CA TYR A 7 -8.375 -8.933 -7.485 1.00 0.00 C ATOM 50 C TYR A 7 -8.188 -7.643 -6.684 1.00 0.00 C ATOM 51 O TYR A 7 -7.559 -6.698 -7.158 1.00 0.00 O ATOM 52 CB TYR A 7 -8.706 -8.574 -8.936 1.00 0.00 C ATOM 53 CG TYR A 7 -9.042 -9.781 -9.814 1.00 0.00 C ATOM 54 CD1 TYR A 7 -10.184 -10.516 -9.567 1.00 0.00 C ATOM 55 CD2 TYR A 7 -8.205 -10.133 -10.852 1.00 0.00 C ATOM 56 CE1 TYR A 7 -10.501 -11.652 -10.393 1.00 0.00 C ATOM 57 CE2 TYR A 7 -8.522 -11.270 -11.679 1.00 0.00 C ATOM 58 CZ TYR A 7 -9.654 -11.973 -11.408 1.00 0.00 C ATOM 0 HA TYR A 7 -7.458 -9.515 -7.397 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -9.550 -7.884 -8.945 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.858 -8.046 -9.371 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -10.839 -10.239 -8.755 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.312 -9.557 -11.045 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -11.391 -12.236 -10.211 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -7.875 -11.557 -12.495 1.00 0.00 H new ATOM 59 N ARG A 8 -8.746 -7.644 -5.482 1.00 0.00 N ATOM 60 CA ARG A 8 -8.648 -6.486 -4.609 1.00 0.00 C ATOM 61 C ARG A 8 -7.462 -6.639 -3.654 1.00 0.00 C ATOM 62 O ARG A 8 -6.920 -7.734 -3.504 1.00 0.00 O ATOM 63 CB ARG A 8 -9.929 -6.299 -3.794 1.00 0.00 C ATOM 64 CG ARG A 8 -9.968 -7.261 -2.606 1.00 0.00 C ATOM 65 CD ARG A 8 -11.264 -7.096 -1.810 1.00 0.00 C ATOM 66 NE ARG A 8 -11.044 -6.183 -0.666 1.00 0.00 N ATOM 67 CZ ARG A 8 -12.016 -5.754 0.150 1.00 0.00 C ATOM 0 H ARG A 8 -9.268 -8.429 -5.092 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.501 -5.609 -5.239 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.990 -5.271 -3.436 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.797 -6.467 -4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.884 -8.288 -2.962 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.112 -7.078 -1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.049 -6.701 -2.455 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.606 -8.067 -1.451 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.093 -5.860 -0.488 1.00 0.00 H new ATOM 68 N ILE A 9 -7.096 -5.527 -3.034 1.00 0.00 N ATOM 69 CA ILE A 9 -5.984 -5.525 -2.097 1.00 0.00 C ATOM 70 C ILE A 9 -6.506 -5.205 -0.695 1.00 0.00 C ATOM 71 O ILE A 9 -6.967 -4.094 -0.438 1.00 0.00 O ATOM 72 CB ILE A 9 -4.883 -4.576 -2.575 1.00 0.00 C ATOM 73 CG1 ILE A 9 -4.153 -5.152 -3.791 1.00 0.00 C ATOM 74 CG2 ILE A 9 -3.920 -4.237 -1.436 1.00 0.00 C ATOM 75 CD1 ILE A 9 -3.242 -6.312 -3.385 1.00 0.00 C ATOM 0 H ILE A 9 -7.549 -4.622 -3.161 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.524 -6.512 -2.049 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.349 -3.643 -2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.880 -5.496 -4.527 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.562 -4.371 -4.269 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.147 -3.561 -1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.469 -3.756 -0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.457 -5.152 -1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.735 -6.703 -4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.501 -5.959 -2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.840 -7.102 -2.930 1.00 0.00 H new ATOM 76 N LYS A 10 -6.415 -6.200 0.177 1.00 0.00 N ATOM 77 CA LYS A 10 -6.872 -6.037 1.546 1.00 0.00 C ATOM 78 C LYS A 10 -6.418 -4.675 2.073 1.00 0.00 C ATOM 79 O LYS A 10 -7.051 -4.106 2.961 1.00 0.00 O ATOM 80 CB LYS A 10 -6.411 -7.215 2.407 1.00 0.00 C ATOM 81 CG LYS A 10 -7.581 -8.141 2.743 1.00 0.00 C ATOM 82 CD LYS A 10 -7.201 -9.607 2.523 1.00 0.00 C ATOM 83 CE LYS A 10 -7.842 -10.154 1.246 1.00 0.00 C ATOM 84 NZ LYS A 10 -7.563 -11.600 1.104 1.00 0.00 N ATOM 0 H LYS A 10 -6.032 -7.120 -0.039 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.961 -6.047 1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.639 -7.775 1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.961 -6.843 3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.882 -7.991 3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.440 -7.887 2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.117 -9.700 2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.521 -10.202 3.378 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.919 -9.986 1.272 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.457 -9.617 0.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.005 -11.955 0.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.535 -11.752 1.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.952 -12.111 1.922 1.00 0.00 H new ATOM 85 N LYS A 11 -5.324 -4.191 1.503 1.00 0.00 N ATOM 86 CA LYS A 11 -4.778 -2.905 1.905 1.00 0.00 C ATOM 87 C LYS A 11 -3.798 -3.111 3.062 1.00 0.00 C ATOM 88 O LYS A 11 -3.035 -2.208 3.402 1.00 0.00 O ATOM 89 CB LYS A 11 -5.905 -1.920 2.221 1.00 0.00 C ATOM 90 CG LYS A 11 -6.053 -1.723 3.731 1.00 0.00 C ATOM 91 CD LYS A 11 -7.378 -1.035 4.067 1.00 0.00 C ATOM 92 CE LYS A 11 -7.138 0.349 4.676 1.00 0.00 C ATOM 93 NZ LYS A 11 -6.415 1.217 3.719 1.00 0.00 N ATOM 0 H LYS A 11 -4.801 -4.665 0.767 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.215 -2.457 1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.700 -0.962 1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.843 -2.289 1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.003 -2.689 4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.223 -1.125 4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.982 -0.939 3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.945 -1.651 4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.091 0.806 4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.562 0.253 5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.566 2.214 3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.398 1.001 3.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.773 1.047 2.757 1.00 0.00 H new ATOM 94 N ASN A 12 -3.850 -4.305 3.635 1.00 0.00 N ATOM 95 CA ASN A 12 -2.977 -4.641 4.746 1.00 0.00 C ATOM 96 C ASN A 12 -2.143 -5.870 4.380 1.00 0.00 C ATOM 97 O ASN A 12 -1.051 -5.743 3.828 1.00 0.00 O ATOM 98 CB ASN A 12 -3.785 -4.975 6.001 1.00 0.00 C ATOM 99 CG ASN A 12 -2.918 -5.689 7.038 1.00 0.00 C ATOM 100 OD1 ASN A 12 -1.874 -5.209 7.449 1.00 0.00 O ATOM 101 ND2 ASN A 12 -3.406 -6.860 7.439 1.00 0.00 N ATOM 0 H ASN A 12 -4.484 -5.052 3.350 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.340 -3.779 4.946 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -4.191 -4.059 6.430 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.633 -5.606 5.734 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.900 -7.413 8.131 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.286 -7.204 7.055 1.00 0.00 H new ATOM 102 N ALA A 13 -2.690 -7.034 4.701 1.00 0.00 N ATOM 103 CA ALA A 13 -2.009 -8.285 4.413 1.00 0.00 C ATOM 104 C ALA A 13 -1.534 -8.279 2.958 1.00 0.00 C ATOM 105 O ALA A 13 -0.363 -8.533 2.684 1.00 0.00 O ATOM 106 CB ALA A 13 -2.946 -9.456 4.716 1.00 0.00 C ATOM 0 H ALA A 13 -3.596 -7.137 5.157 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.129 -8.399 5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.436 -10.395 4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.231 -9.431 5.768 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.839 -9.377 4.096 1.00 0.00 H new ATOM 107 N ASP A 14 -2.469 -7.987 2.066 1.00 0.00 N ATOM 108 CA ASP A 14 -2.160 -7.945 0.646 1.00 0.00 C ATOM 109 C ASP A 14 -1.019 -6.954 0.406 1.00 0.00 C ATOM 110 O ASP A 14 -0.347 -7.013 -0.622 1.00 0.00 O ATOM 111 CB ASP A 14 -3.369 -7.481 -0.167 1.00 0.00 C ATOM 112 CG ASP A 14 -4.320 -8.596 -0.607 1.00 0.00 C ATOM 113 OD1 ASP A 14 -3.863 -9.455 -1.390 1.00 0.00 O ATOM 114 OD2 ASP A 14 -5.483 -8.563 -0.149 1.00 0.00 O ATOM 0 H ASP A 14 -3.440 -7.777 2.298 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.879 -8.950 0.332 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.930 -6.758 0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.012 -6.958 -1.054 1.00 0.00 H new ATOM 115 N PHE A 15 -0.837 -6.065 1.371 1.00 0.00 N ATOM 116 CA PHE A 15 0.210 -5.062 1.278 1.00 0.00 C ATOM 117 C PHE A 15 1.450 -5.490 2.065 1.00 0.00 C ATOM 118 O PHE A 15 2.572 -5.137 1.704 1.00 0.00 O ATOM 119 CB PHE A 15 -0.348 -3.775 1.887 1.00 0.00 C ATOM 120 CG PHE A 15 -0.751 -2.721 0.854 1.00 0.00 C ATOM 121 CD1 PHE A 15 -1.975 -2.780 0.264 1.00 0.00 C ATOM 122 CD2 PHE A 15 0.115 -1.725 0.525 1.00 0.00 C ATOM 123 CE1 PHE A 15 -2.349 -1.801 -0.695 1.00 0.00 C ATOM 124 CE2 PHE A 15 -0.258 -0.747 -0.434 1.00 0.00 C ATOM 125 CZ PHE A 15 -1.483 -0.806 -1.024 1.00 0.00 C ATOM 0 H PHE A 15 -1.397 -6.018 2.222 1.00 0.00 H new ATOM 0 HA PHE A 15 0.503 -4.925 0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.217 -4.021 2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.400 -3.347 2.555 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.663 -3.571 0.525 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.087 -1.678 0.994 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.321 -1.847 -1.163 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.430 0.043 -0.695 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.767 -0.062 -1.754 1.00 0.00 H new ATOM 126 N GLN A 16 1.207 -6.244 3.128 1.00 0.00 N ATOM 127 CA GLN A 16 2.290 -6.722 3.969 1.00 0.00 C ATOM 128 C GLN A 16 3.004 -7.897 3.298 1.00 0.00 C ATOM 129 O GLN A 16 4.223 -8.027 3.399 1.00 0.00 O ATOM 130 CB GLN A 16 1.775 -7.114 5.356 1.00 0.00 C ATOM 131 CG GLN A 16 1.427 -8.603 5.411 1.00 0.00 C ATOM 132 CD GLN A 16 2.683 -9.451 5.624 1.00 0.00 C ATOM 133 OE1 GLN A 16 3.714 -8.979 6.074 1.00 0.00 O ATOM 134 NE2 GLN A 16 2.538 -10.727 5.276 1.00 0.00 N ATOM 0 H GLN A 16 0.276 -6.535 3.425 1.00 0.00 H new ATOM 0 HA GLN A 16 3.008 -5.912 4.099 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.532 -6.886 6.107 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.894 -6.522 5.601 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.719 -8.785 6.220 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.936 -8.900 4.484 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.647 -11.056 4.905 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.318 -11.376 5.380 1.00 0.00 H new ATOM 135 N ARG A 17 2.215 -8.723 2.628 1.00 0.00 N ATOM 136 CA ARG A 17 2.755 -9.883 1.940 1.00 0.00 C ATOM 137 C ARG A 17 3.665 -9.442 0.791 1.00 0.00 C ATOM 138 O ARG A 17 4.384 -10.257 0.216 1.00 0.00 O ATOM 139 CB ARG A 17 1.637 -10.767 1.386 1.00 0.00 C ATOM 140 CG ARG A 17 0.863 -10.044 0.281 1.00 0.00 C ATOM 141 CD ARG A 17 0.187 -11.044 -0.658 1.00 0.00 C ATOM 142 NE ARG A 17 -1.241 -11.191 -0.298 1.00 0.00 N ATOM 143 CZ ARG A 17 -1.689 -11.970 0.696 1.00 0.00 C ATOM 0 H ARG A 17 1.204 -8.612 2.547 1.00 0.00 H new ATOM 0 HA ARG A 17 3.331 -10.459 2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.060 -11.692 0.993 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.956 -11.045 2.190 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.111 -9.392 0.726 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.542 -9.408 -0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.277 -10.705 -1.690 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.688 -12.010 -0.595 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.927 -10.666 -0.841 1.00 0.00 H new ATOM 144 N ILE A 18 3.602 -8.153 0.491 1.00 0.00 N ATOM 145 CA ILE A 18 4.411 -7.594 -0.580 1.00 0.00 C ATOM 146 C ILE A 18 5.733 -7.085 -0.002 1.00 0.00 C ATOM 147 O ILE A 18 6.805 -7.485 -0.451 1.00 0.00 O ATOM 148 CB ILE A 18 3.624 -6.529 -1.345 1.00 0.00 C ATOM 149 CG1 ILE A 18 2.133 -6.872 -1.385 1.00 0.00 C ATOM 150 CG2 ILE A 18 4.202 -6.321 -2.746 1.00 0.00 C ATOM 151 CD1 ILE A 18 1.874 -8.089 -2.275 1.00 0.00 C ATOM 0 H ILE A 18 3.004 -7.480 0.970 1.00 0.00 H new ATOM 0 HA ILE A 18 4.658 -8.363 -1.312 1.00 0.00 H new ATOM 0 HB ILE A 18 3.723 -5.583 -0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.775 -7.073 -0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.569 -6.017 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.624 -5.559 -3.269 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.240 -5.999 -2.667 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.154 -7.257 -3.302 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.807 -8.311 -2.286 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.211 -7.876 -3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.420 -8.948 -1.884 1.00 0.00 H new ATOM 152 N TYR A 19 5.612 -6.210 0.986 1.00 0.00 N ATOM 153 CA TYR A 19 6.784 -5.643 1.630 1.00 0.00 C ATOM 154 C TYR A 19 7.622 -6.732 2.303 1.00 0.00 C ATOM 155 O TYR A 19 8.783 -6.506 2.643 1.00 0.00 O ATOM 156 CB TYR A 19 6.255 -4.689 2.703 1.00 0.00 C ATOM 157 CG TYR A 19 6.014 -3.263 2.202 1.00 0.00 C ATOM 158 CD1 TYR A 19 5.098 -3.030 1.197 1.00 0.00 C ATOM 159 CD2 TYR A 19 6.715 -2.209 2.756 1.00 0.00 C ATOM 160 CE1 TYR A 19 4.872 -1.688 0.727 1.00 0.00 C ATOM 161 CE2 TYR A 19 6.488 -0.867 2.286 1.00 0.00 C ATOM 162 CZ TYR A 19 5.578 -0.673 1.294 1.00 0.00 C ATOM 0 H TYR A 19 4.720 -5.880 1.356 1.00 0.00 H new ATOM 0 HA TYR A 19 7.418 -5.141 0.899 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.321 -5.087 3.100 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.965 -4.658 3.529 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.551 -3.854 0.763 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.433 -2.392 3.542 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.157 -1.492 -0.059 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.028 -0.034 2.711 1.00 0.00 H new ATOM 163 N LYS A 20 7.001 -7.890 2.476 1.00 0.00 N ATOM 164 CA LYS A 20 7.675 -9.015 3.101 1.00 0.00 C ATOM 165 C LYS A 20 9.020 -9.246 2.411 1.00 0.00 C ATOM 166 O LYS A 20 10.067 -8.874 2.939 1.00 0.00 O ATOM 167 CB LYS A 20 6.768 -10.246 3.109 1.00 0.00 C ATOM 168 CG LYS A 20 7.122 -11.181 4.267 1.00 0.00 C ATOM 169 CD LYS A 20 8.456 -11.887 4.014 1.00 0.00 C ATOM 170 CE LYS A 20 8.359 -13.377 4.343 1.00 0.00 C ATOM 171 NZ LYS A 20 9.625 -13.859 4.941 1.00 0.00 N ATOM 0 H LYS A 20 6.038 -8.073 2.194 1.00 0.00 H new ATOM 0 HA LYS A 20 7.887 -8.798 4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.727 -9.934 3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.865 -10.780 2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.178 -10.612 5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.333 -11.922 4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.747 -11.759 2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.236 -11.427 4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.534 -13.550 5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.139 -13.942 3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.542 -14.873 5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.405 -13.712 4.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.818 -13.332 5.816 1.00 0.00 H new ATOM 172 N LYS A 21 8.950 -9.859 1.238 1.00 0.00 N ATOM 173 CA LYS A 21 10.149 -10.145 0.470 1.00 0.00 C ATOM 174 C LYS A 21 9.944 -9.686 -0.976 1.00 0.00 C ATOM 175 O LYS A 21 10.707 -10.064 -1.865 1.00 0.00 O ATOM 176 CB LYS A 21 10.529 -11.621 0.597 1.00 0.00 C ATOM 177 CG LYS A 21 11.789 -11.792 1.448 1.00 0.00 C ATOM 178 CD LYS A 21 12.597 -13.009 0.993 1.00 0.00 C ATOM 179 CE LYS A 21 13.669 -13.371 2.023 1.00 0.00 C ATOM 180 NZ LYS A 21 14.953 -12.714 1.686 1.00 0.00 N ATOM 0 H LYS A 21 8.081 -10.165 0.801 1.00 0.00 H new ATOM 0 HA LYS A 21 10.997 -9.587 0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.705 -12.175 1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.695 -12.044 -0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.404 -10.895 1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.512 -11.906 2.496 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.930 -13.858 0.843 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.067 -12.800 0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.346 -13.063 3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.803 -14.452 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.670 -12.970 2.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.268 -13.028 0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.824 -11.682 1.681 1.00 0.00 H new ATOM 181 N GLY A 22 8.912 -8.878 -1.166 1.00 0.00 N ATOM 182 CA GLY A 22 8.598 -8.363 -2.488 1.00 0.00 C ATOM 183 C GLY A 22 9.660 -7.367 -2.955 1.00 0.00 C ATOM 184 O GLY A 22 10.519 -6.957 -2.175 1.00 0.00 O ATOM 0 H GLY A 22 8.282 -8.567 -0.426 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.531 -9.188 -3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.622 -7.878 -2.471 1.00 0.00 H new ATOM 185 N HIS A 23 9.569 -7.006 -4.227 1.00 0.00 N ATOM 186 CA HIS A 23 10.512 -6.066 -4.808 1.00 0.00 C ATOM 187 C HIS A 23 9.760 -4.837 -5.322 1.00 0.00 C ATOM 188 O HIS A 23 9.097 -4.898 -6.357 1.00 0.00 O ATOM 189 CB HIS A 23 11.356 -6.741 -5.891 1.00 0.00 C ATOM 190 CG HIS A 23 12.276 -5.799 -6.629 1.00 0.00 C ATOM 191 ND1 HIS A 23 12.014 -4.638 -7.296 1.00 0.00 N flip ATOM 192 CD2 HIS A 23 13.639 -6.013 -6.737 1.00 0.00 C flip ATOM 193 CE1 HIS A 23 13.156 -4.167 -7.782 1.00 0.00 C flip ATOM 194 NE2 HIS A 23 14.164 -5.018 -7.437 1.00 0.00 N flip ATOM 0 H HIS A 23 8.856 -7.348 -4.871 1.00 0.00 H new ATOM 0 HA HIS A 23 11.211 -5.728 -4.043 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.952 -7.530 -5.433 1.00 0.00 H new ATOM 0 HB3 HIS A 23 10.691 -7.220 -6.610 1.00 0.00 H new ATOM 0 HD2 HIS A 23 14.182 -6.849 -6.321 1.00 0.00 H new ATOM 0 HE1 HIS A 23 13.268 -3.259 -8.356 1.00 0.00 H new ATOM 0 HE2 HIS A 23 15.149 -4.908 -7.676 1.00 0.00 H new ATOM 195 N SER A 24 9.888 -3.749 -4.576 1.00 0.00 N ATOM 196 CA SER A 24 9.229 -2.508 -4.944 1.00 0.00 C ATOM 197 C SER A 24 10.106 -1.717 -5.918 1.00 0.00 C ATOM 198 O SER A 24 11.321 -1.903 -5.955 1.00 0.00 O ATOM 199 CB SER A 24 8.915 -1.663 -3.708 1.00 0.00 C ATOM 200 OG SER A 24 10.092 -1.328 -2.978 1.00 0.00 O ATOM 0 H SER A 24 10.438 -3.702 -3.719 1.00 0.00 H new ATOM 0 HA SER A 24 8.286 -2.754 -5.432 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.405 -0.749 -4.013 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.229 -2.209 -3.060 1.00 0.00 H new ATOM 0 HG SER A 24 9.849 -1.082 -2.061 1.00 0.00 H new ATOM 201 N VAL A 25 9.456 -0.854 -6.683 1.00 0.00 N ATOM 202 CA VAL A 25 10.161 -0.036 -7.655 1.00 0.00 C ATOM 203 C VAL A 25 9.534 1.360 -7.691 1.00 0.00 C ATOM 204 O VAL A 25 8.329 1.498 -7.899 1.00 0.00 O ATOM 205 CB VAL A 25 10.161 -0.727 -9.020 1.00 0.00 C ATOM 206 CG1 VAL A 25 10.882 -2.074 -8.952 1.00 0.00 C ATOM 207 CG2 VAL A 25 8.735 -0.894 -9.550 1.00 0.00 C ATOM 0 H VAL A 25 8.448 -0.703 -6.650 1.00 0.00 H new ATOM 0 HA VAL A 25 11.205 0.084 -7.367 1.00 0.00 H new ATOM 0 HB VAL A 25 10.705 -0.091 -9.718 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.868 -2.544 -9.935 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.914 -1.919 -8.639 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.378 -2.720 -8.233 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.763 -1.388 -10.521 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.156 -1.499 -8.852 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.269 0.086 -9.654 1.00 0.00 H new ATOM 208 N ALA A 26 10.379 2.359 -7.486 1.00 0.00 N ATOM 209 CA ALA A 26 9.922 3.739 -7.493 1.00 0.00 C ATOM 210 C ALA A 26 10.670 4.513 -8.581 1.00 0.00 C ATOM 211 O ALA A 26 11.877 4.348 -8.747 1.00 0.00 O ATOM 212 CB ALA A 26 10.119 4.349 -6.103 1.00 0.00 C ATOM 0 H ALA A 26 11.377 2.241 -7.314 1.00 0.00 H new ATOM 0 HA ALA A 26 8.858 3.790 -7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.776 5.384 -6.108 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.545 3.780 -5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.176 4.318 -5.839 1.00 0.00 H new ATOM 213 N ASN A 27 9.920 5.341 -9.293 1.00 0.00 N ATOM 214 CA ASN A 27 10.497 6.142 -10.360 1.00 0.00 C ATOM 215 C ASN A 27 11.036 7.448 -9.777 1.00 0.00 C ATOM 216 O ASN A 27 12.205 7.529 -9.402 1.00 0.00 O ATOM 217 CB ASN A 27 9.445 6.492 -11.415 1.00 0.00 C ATOM 218 CG ASN A 27 8.077 6.724 -10.769 1.00 0.00 C ATOM 219 OD1 ASN A 27 7.576 5.914 -10.008 1.00 0.00 O ATOM 220 ND2 ASN A 27 7.503 7.873 -11.115 1.00 0.00 N ATOM 0 H ASN A 27 8.919 5.475 -9.152 1.00 0.00 H new ATOM 0 HA ASN A 27 11.294 5.562 -10.824 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.752 7.387 -11.957 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.374 5.686 -12.145 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.588 8.120 -10.738 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.978 8.507 -11.758 1.00 0.00 H new ATOM 221 N ARG A 28 10.159 8.440 -9.719 1.00 0.00 N ATOM 222 CA ARG A 28 10.533 9.739 -9.187 1.00 0.00 C ATOM 223 C ARG A 28 9.623 10.116 -8.016 1.00 0.00 C ATOM 224 O ARG A 28 10.095 10.607 -6.992 1.00 0.00 O ATOM 225 CB ARG A 28 10.439 10.822 -10.264 1.00 0.00 C ATOM 226 CG ARG A 28 11.025 10.330 -11.589 1.00 0.00 C ATOM 227 CD ARG A 28 12.140 11.257 -12.075 1.00 0.00 C ATOM 228 NE ARG A 28 12.412 11.015 -13.509 1.00 0.00 N ATOM 229 CZ ARG A 28 13.391 11.614 -14.201 1.00 0.00 C ATOM 0 H ARG A 28 9.191 8.370 -10.032 1.00 0.00 H new ATOM 0 HA ARG A 28 11.565 9.671 -8.843 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.397 11.108 -10.407 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.972 11.714 -9.935 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.416 9.320 -11.465 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.238 10.277 -12.341 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.852 12.297 -11.922 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.045 11.088 -11.491 1.00 0.00 H new ATOM 0 HE ARG A 28 11.816 10.350 -14.002 1.00 0.00 H new ATOM 230 N GLN A 29 8.335 9.870 -8.206 1.00 0.00 N ATOM 231 CA GLN A 29 7.355 10.176 -7.178 1.00 0.00 C ATOM 232 C GLN A 29 6.240 9.128 -7.177 1.00 0.00 C ATOM 233 O GLN A 29 5.078 9.453 -6.942 1.00 0.00 O ATOM 234 CB GLN A 29 6.784 11.583 -7.366 1.00 0.00 C ATOM 235 CG GLN A 29 6.655 11.927 -8.851 1.00 0.00 C ATOM 236 CD GLN A 29 5.324 11.427 -9.416 1.00 0.00 C ATOM 237 OE1 GLN A 29 4.269 11.996 -9.188 1.00 0.00 O ATOM 238 NE2 GLN A 29 5.432 10.332 -10.164 1.00 0.00 N ATOM 0 H GLN A 29 7.947 9.462 -9.057 1.00 0.00 H new ATOM 0 HA GLN A 29 7.854 10.148 -6.209 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.807 11.650 -6.887 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.430 12.311 -6.875 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.729 13.006 -8.986 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.480 11.479 -9.405 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.346 9.906 -10.315 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.601 9.919 -10.586 1.00 0.00 H new ATOM 239 N PHE A 30 6.635 7.891 -7.442 1.00 0.00 N ATOM 240 CA PHE A 30 5.684 6.794 -7.476 1.00 0.00 C ATOM 241 C PHE A 30 6.398 5.445 -7.347 1.00 0.00 C ATOM 242 O PHE A 30 7.456 5.241 -7.937 1.00 0.00 O ATOM 243 CB PHE A 30 4.976 6.855 -8.831 1.00 0.00 C ATOM 244 CG PHE A 30 3.629 6.132 -8.863 1.00 0.00 C ATOM 245 CD1 PHE A 30 3.578 4.800 -9.134 1.00 0.00 C ATOM 246 CD2 PHE A 30 2.483 6.821 -8.619 1.00 0.00 C ATOM 247 CE1 PHE A 30 2.326 4.129 -9.164 1.00 0.00 C ATOM 248 CE2 PHE A 30 1.231 6.150 -8.649 1.00 0.00 C ATOM 249 CZ PHE A 30 1.179 4.818 -8.920 1.00 0.00 C ATOM 0 H PHE A 30 7.601 7.625 -7.635 1.00 0.00 H new ATOM 0 HA PHE A 30 4.982 6.885 -6.647 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.822 7.899 -9.102 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.628 6.421 -9.590 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.489 4.253 -9.326 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.524 7.878 -8.402 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.285 3.072 -9.381 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.320 6.698 -8.457 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.227 4.308 -8.941 1.00 0.00 H new ATOM 250 N VAL A 31 5.788 4.563 -6.570 1.00 0.00 N ATOM 251 CA VAL A 31 6.352 3.240 -6.355 1.00 0.00 C ATOM 252 C VAL A 31 5.286 2.183 -6.650 1.00 0.00 C ATOM 253 O VAL A 31 4.107 2.389 -6.369 1.00 0.00 O ATOM 254 CB VAL A 31 6.921 3.137 -4.939 1.00 0.00 C ATOM 255 CG1 VAL A 31 7.431 4.496 -4.453 1.00 0.00 C ATOM 256 CG2 VAL A 31 5.883 2.564 -3.972 1.00 0.00 C ATOM 0 H VAL A 31 4.910 4.737 -6.082 1.00 0.00 H new ATOM 0 HA VAL A 31 7.183 3.063 -7.038 1.00 0.00 H new ATOM 0 HB VAL A 31 7.768 2.451 -4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.830 4.395 -3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.217 4.850 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.609 5.212 -4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.313 2.501 -2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.008 3.214 -3.951 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.588 1.568 -4.303 1.00 0.00 H new ATOM 257 N VAL A 32 5.740 1.072 -7.213 1.00 0.00 N ATOM 258 CA VAL A 32 4.841 -0.019 -7.548 1.00 0.00 C ATOM 259 C VAL A 32 5.427 -1.335 -7.033 1.00 0.00 C ATOM 260 O VAL A 32 6.372 -1.866 -7.612 1.00 0.00 O ATOM 261 CB VAL A 32 4.575 -0.033 -9.054 1.00 0.00 C ATOM 262 CG1 VAL A 32 3.705 1.156 -9.469 1.00 0.00 C ATOM 263 CG2 VAL A 32 5.886 -0.054 -9.843 1.00 0.00 C ATOM 0 H VAL A 32 6.719 0.904 -7.445 1.00 0.00 H new ATOM 0 HA VAL A 32 3.876 0.119 -7.061 1.00 0.00 H new ATOM 0 HB VAL A 32 4.028 -0.946 -9.288 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.531 1.122 -10.545 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.750 1.108 -8.945 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.213 2.086 -9.213 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.668 -0.064 -10.911 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.471 0.833 -9.600 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.454 -0.946 -9.581 1.00 0.00 H new ATOM 264 N TYR A 33 4.840 -1.823 -5.949 1.00 0.00 N ATOM 265 CA TYR A 33 5.293 -3.066 -5.349 1.00 0.00 C ATOM 266 C TYR A 33 4.724 -4.274 -6.096 1.00 0.00 C ATOM 267 O TYR A 33 3.510 -4.399 -6.248 1.00 0.00 O ATOM 268 CB TYR A 33 4.751 -3.065 -3.917 1.00 0.00 C ATOM 269 CG TYR A 33 5.676 -2.388 -2.903 1.00 0.00 C ATOM 270 CD1 TYR A 33 6.097 -1.091 -3.113 1.00 0.00 C ATOM 271 CD2 TYR A 33 6.086 -3.075 -1.778 1.00 0.00 C ATOM 272 CE1 TYR A 33 6.967 -0.454 -2.158 1.00 0.00 C ATOM 273 CE2 TYR A 33 6.955 -2.438 -0.824 1.00 0.00 C ATOM 274 CZ TYR A 33 7.353 -1.159 -1.061 1.00 0.00 C ATOM 0 H TYR A 33 4.055 -1.380 -5.471 1.00 0.00 H new ATOM 0 HA TYR A 33 6.380 -3.136 -5.385 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.785 -2.561 -3.905 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.577 -4.095 -3.604 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.775 -0.554 -3.993 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.755 -4.090 -1.614 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.305 0.560 -2.310 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.284 -2.964 0.060 1.00 0.00 H new ATOM 275 N THR A 34 5.628 -5.133 -6.542 1.00 0.00 N ATOM 276 CA THR A 34 5.233 -6.327 -7.269 1.00 0.00 C ATOM 277 C THR A 34 6.123 -7.509 -6.880 1.00 0.00 C ATOM 278 O THR A 34 7.288 -7.325 -6.533 1.00 0.00 O ATOM 279 CB THR A 34 5.269 -6.004 -8.764 1.00 0.00 C ATOM 280 OG1 THR A 34 6.583 -5.493 -8.976 1.00 0.00 O ATOM 281 CG2 THR A 34 4.352 -4.837 -9.134 1.00 0.00 C ATOM 0 H THR A 34 6.634 -5.026 -6.414 1.00 0.00 H new ATOM 0 HA THR A 34 4.218 -6.628 -7.012 1.00 0.00 H new ATOM 0 HB THR A 34 4.979 -6.887 -9.333 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.887 -5.735 -9.876 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.416 -4.650 -10.206 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.324 -5.084 -8.869 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.662 -3.944 -8.591 1.00 0.00 H new ATOM 282 N CYS A 35 5.539 -8.696 -6.952 1.00 0.00 N ATOM 283 CA CYS A 35 6.266 -9.908 -6.611 1.00 0.00 C ATOM 284 C CYS A 35 5.251 -11.036 -6.410 1.00 0.00 C ATOM 285 O CYS A 35 4.050 -10.830 -6.572 1.00 0.00 O ATOM 286 CB CYS A 35 7.151 -9.710 -5.380 1.00 0.00 C ATOM 287 SG CYS A 35 8.915 -9.725 -5.867 1.00 0.00 S ATOM 0 H CYS A 35 4.572 -8.845 -7.241 1.00 0.00 H new ATOM 0 HA CYS A 35 6.943 -10.170 -7.424 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.907 -8.765 -4.895 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.959 -10.500 -4.653 1.00 0.00 H new ATOM 0 HG CYS A 35 9.148 -8.742 -6.685 1.00 0.00 H new ATOM 338 N HIS A 42 -3.823 -13.723 -10.936 1.00 0.00 N ATOM 339 CA HIS A 42 -4.658 -12.534 -10.941 1.00 0.00 C ATOM 340 C HIS A 42 -3.826 -11.321 -10.520 1.00 0.00 C ATOM 341 O HIS A 42 -2.788 -11.467 -9.877 1.00 0.00 O ATOM 342 CB HIS A 42 -5.897 -12.737 -10.065 1.00 0.00 C ATOM 343 CG HIS A 42 -6.465 -14.135 -10.119 1.00 0.00 C ATOM 344 ND1 HIS A 42 -7.539 -14.476 -10.922 1.00 0.00 N ATOM 345 CD2 HIS A 42 -6.097 -15.272 -9.463 1.00 0.00 C ATOM 346 CE1 HIS A 42 -7.798 -15.764 -10.748 1.00 0.00 C ATOM 347 NE2 HIS A 42 -6.903 -16.255 -9.843 1.00 0.00 N ATOM 0 HA HIS A 42 -5.025 -12.346 -11.950 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.642 -12.499 -9.032 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -6.667 -12.031 -10.374 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -8.045 -13.844 -11.542 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -5.287 -15.358 -8.754 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -8.580 -16.326 -11.237 1.00 0.00 H new ATOM 348 N PHE A 43 -4.314 -10.149 -10.901 1.00 0.00 N ATOM 349 CA PHE A 43 -3.629 -8.911 -10.572 1.00 0.00 C ATOM 350 C PHE A 43 -4.405 -8.118 -9.518 1.00 0.00 C ATOM 351 O PHE A 43 -5.541 -7.709 -9.757 1.00 0.00 O ATOM 352 CB PHE A 43 -3.550 -8.087 -11.859 1.00 0.00 C ATOM 353 CG PHE A 43 -4.914 -7.716 -12.444 1.00 0.00 C ATOM 354 CD1 PHE A 43 -5.562 -8.586 -13.263 1.00 0.00 C ATOM 355 CD2 PHE A 43 -5.479 -6.515 -12.144 1.00 0.00 C ATOM 356 CE1 PHE A 43 -6.828 -8.242 -13.806 1.00 0.00 C ATOM 357 CE2 PHE A 43 -6.745 -6.170 -12.687 1.00 0.00 C ATOM 358 CZ PHE A 43 -7.392 -7.041 -13.506 1.00 0.00 C ATOM 0 H PHE A 43 -5.175 -10.031 -11.434 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.640 -9.129 -10.168 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.991 -7.173 -11.659 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.987 -8.649 -12.604 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.114 -9.539 -13.501 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.964 -5.824 -11.493 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.343 -8.933 -14.457 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.193 -5.217 -12.450 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.355 -6.779 -13.919 1.00 0.00 H new ATOM 359 N ARG A 44 -3.761 -7.924 -8.376 1.00 0.00 N ATOM 360 CA ARG A 44 -4.378 -7.188 -7.286 1.00 0.00 C ATOM 361 C ARG A 44 -3.677 -5.841 -7.092 1.00 0.00 C ATOM 362 O ARG A 44 -2.859 -5.689 -6.186 1.00 0.00 O ATOM 363 CB ARG A 44 -4.315 -7.981 -5.980 1.00 0.00 C ATOM 364 CG ARG A 44 -5.134 -9.269 -6.080 1.00 0.00 C ATOM 365 CD ARG A 44 -4.465 -10.406 -5.304 1.00 0.00 C ATOM 366 NE ARG A 44 -3.121 -10.676 -5.858 1.00 0.00 N ATOM 367 CZ ARG A 44 -2.896 -11.377 -6.977 1.00 0.00 C ATOM 0 H ARG A 44 -2.819 -8.264 -8.182 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.423 -7.024 -7.547 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.278 -8.223 -5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.692 -7.369 -5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.137 -9.098 -5.689 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.244 -9.554 -7.126 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.386 -10.140 -4.250 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.078 -11.306 -5.361 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.314 -10.305 -5.356 1.00 0.00 H new ATOM 368 N LEU A 45 -4.023 -4.899 -7.958 1.00 0.00 N ATOM 369 CA LEU A 45 -3.437 -3.571 -7.893 1.00 0.00 C ATOM 370 C LEU A 45 -4.194 -2.735 -6.861 1.00 0.00 C ATOM 371 O LEU A 45 -5.398 -2.516 -6.996 1.00 0.00 O ATOM 372 CB LEU A 45 -3.390 -2.938 -9.284 1.00 0.00 C ATOM 373 CG LEU A 45 -4.378 -1.797 -9.535 1.00 0.00 C ATOM 374 CD1 LEU A 45 -5.822 -2.302 -9.491 1.00 0.00 C ATOM 375 CD2 LEU A 45 -4.145 -0.644 -8.556 1.00 0.00 C ATOM 0 H LEU A 45 -4.702 -5.029 -8.708 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.401 -3.627 -7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.381 -2.563 -9.457 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.571 -3.718 -10.023 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.203 -1.409 -10.538 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.504 -1.471 -9.672 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.965 -3.063 -10.258 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.027 -2.732 -8.511 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.860 0.154 -8.756 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.277 -1.002 -7.535 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.132 -0.262 -8.679 1.00 0.00 H new ATOM 376 N GLY A 46 -3.459 -2.289 -5.853 1.00 0.00 N ATOM 377 CA GLY A 46 -4.046 -1.480 -4.798 1.00 0.00 C ATOM 378 C GLY A 46 -3.700 -0.002 -4.983 1.00 0.00 C ATOM 379 O GLY A 46 -3.099 0.378 -5.987 1.00 0.00 O ATOM 0 H GLY A 46 -2.462 -2.473 -5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.129 -1.606 -4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.685 -1.823 -3.828 1.00 0.00 H new ATOM 380 N ILE A 47 -4.095 0.793 -3.999 1.00 0.00 N ATOM 381 CA ILE A 47 -3.833 2.222 -4.040 1.00 0.00 C ATOM 382 C ILE A 47 -3.336 2.685 -2.669 1.00 0.00 C ATOM 383 O ILE A 47 -4.082 2.651 -1.691 1.00 0.00 O ATOM 384 CB ILE A 47 -5.067 2.978 -4.536 1.00 0.00 C ATOM 385 CG1 ILE A 47 -5.637 2.331 -5.799 1.00 0.00 C ATOM 386 CG2 ILE A 47 -4.754 4.462 -4.742 1.00 0.00 C ATOM 387 CD1 ILE A 47 -7.090 2.755 -6.026 1.00 0.00 C ATOM 0 H ILE A 47 -4.594 0.475 -3.169 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.042 2.445 -4.757 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.838 2.915 -3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.033 2.614 -6.661 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.580 1.246 -5.713 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.648 4.977 -5.095 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.432 4.900 -3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.959 4.567 -5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.470 2.281 -6.931 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.696 2.449 -5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.140 3.838 -6.136 1.00 0.00 H new ATOM 388 N SER A 48 -2.081 3.108 -2.642 1.00 0.00 N ATOM 389 CA SER A 48 -1.476 3.578 -1.407 1.00 0.00 C ATOM 390 C SER A 48 -0.744 4.899 -1.652 1.00 0.00 C ATOM 391 O SER A 48 -0.428 5.235 -2.792 1.00 0.00 O ATOM 392 CB SER A 48 -0.513 2.536 -0.834 1.00 0.00 C ATOM 393 OG SER A 48 -1.186 1.580 -0.018 1.00 0.00 O ATOM 0 H SER A 48 -1.466 3.135 -3.455 1.00 0.00 H new ATOM 0 HA SER A 48 -2.270 3.740 -0.678 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.006 2.023 -1.651 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.256 3.037 -0.246 1.00 0.00 H new ATOM 0 HG SER A 48 -0.949 0.675 -0.311 1.00 0.00 H new ATOM 394 N VAL A 49 -0.495 5.611 -0.563 1.00 0.00 N ATOM 395 CA VAL A 49 0.194 6.888 -0.645 1.00 0.00 C ATOM 396 C VAL A 49 1.444 6.846 0.235 1.00 0.00 C ATOM 397 O VAL A 49 1.946 5.769 0.556 1.00 0.00 O ATOM 398 CB VAL A 49 -0.761 8.023 -0.273 1.00 0.00 C ATOM 399 CG1 VAL A 49 -0.620 9.199 -1.243 1.00 0.00 C ATOM 400 CG2 VAL A 49 -2.208 7.528 -0.221 1.00 0.00 C ATOM 0 H VAL A 49 -0.758 5.328 0.381 1.00 0.00 H new ATOM 0 HA VAL A 49 0.522 7.079 -1.667 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.490 8.374 0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.310 9.992 -0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.402 9.577 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.851 8.866 -2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.866 8.355 0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.494 7.137 -1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.296 6.739 0.526 1.00 0.00 H new ATOM 401 N SER A 50 1.911 8.030 0.602 1.00 0.00 N ATOM 402 CA SER A 50 3.094 8.142 1.440 1.00 0.00 C ATOM 403 C SER A 50 2.693 8.563 2.855 1.00 0.00 C ATOM 404 O SER A 50 1.525 8.850 3.114 1.00 0.00 O ATOM 405 CB SER A 50 4.093 9.139 0.851 1.00 0.00 C ATOM 406 OG SER A 50 5.348 9.098 1.526 1.00 0.00 O ATOM 0 H SER A 50 1.492 8.921 0.335 1.00 0.00 H new ATOM 0 HA SER A 50 3.579 7.167 1.482 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.243 8.921 -0.206 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.680 10.146 0.913 1.00 0.00 H new ATOM 0 HG SER A 50 6.015 8.667 0.951 1.00 0.00 H new ATOM 407 N LYS A 51 3.685 8.586 3.733 1.00 0.00 N ATOM 408 CA LYS A 51 3.451 8.967 5.116 1.00 0.00 C ATOM 409 C LYS A 51 3.490 10.493 5.234 1.00 0.00 C ATOM 410 O LYS A 51 3.284 11.041 6.315 1.00 0.00 O ATOM 411 CB LYS A 51 4.438 8.254 6.042 1.00 0.00 C ATOM 412 CG LYS A 51 3.752 7.808 7.335 1.00 0.00 C ATOM 413 CD LYS A 51 4.163 8.697 8.510 1.00 0.00 C ATOM 414 CE LYS A 51 4.827 7.873 9.615 1.00 0.00 C ATOM 415 NZ LYS A 51 4.249 8.215 10.934 1.00 0.00 N ATOM 0 H LYS A 51 4.652 8.347 3.514 1.00 0.00 H new ATOM 0 HA LYS A 51 2.460 8.647 5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.860 7.388 5.532 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.268 8.920 6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.670 7.845 7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.013 6.772 7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.851 9.469 8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.286 9.207 8.909 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.691 6.810 9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.901 8.061 9.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.710 7.647 11.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.401 9.225 11.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.229 8.013 10.929 1.00 0.00 H new ATOM 416 N LYS A 52 3.754 11.135 4.105 1.00 0.00 N ATOM 417 CA LYS A 52 3.822 12.586 4.068 1.00 0.00 C ATOM 418 C LYS A 52 2.629 13.127 3.276 1.00 0.00 C ATOM 419 O LYS A 52 2.263 14.293 3.418 1.00 0.00 O ATOM 420 CB LYS A 52 5.177 13.045 3.529 1.00 0.00 C ATOM 421 CG LYS A 52 5.993 13.743 4.620 1.00 0.00 C ATOM 422 CD LYS A 52 7.493 13.614 4.350 1.00 0.00 C ATOM 423 CE LYS A 52 8.093 14.957 3.932 1.00 0.00 C ATOM 424 NZ LYS A 52 9.572 14.893 3.951 1.00 0.00 N ATOM 0 H LYS A 52 3.923 10.677 3.209 1.00 0.00 H new ATOM 0 HA LYS A 52 3.750 12.997 5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.731 12.187 3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.027 13.725 2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.718 14.797 4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.756 13.308 5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.997 13.250 5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.663 12.876 3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.747 15.221 2.932 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.748 15.741 4.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.963 15.813 3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.897 14.662 4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.896 14.158 3.290 1.00 0.00 H new ATOM 425 N LEU A 53 2.057 12.255 2.460 1.00 0.00 N ATOM 426 CA LEU A 53 0.914 12.632 1.645 1.00 0.00 C ATOM 427 C LEU A 53 -0.352 12.597 2.504 1.00 0.00 C ATOM 428 O LEU A 53 -0.580 13.491 3.317 1.00 0.00 O ATOM 429 CB LEU A 53 0.834 11.752 0.395 1.00 0.00 C ATOM 430 CG LEU A 53 1.644 12.228 -0.811 1.00 0.00 C ATOM 431 CD1 LEU A 53 2.340 11.053 -1.503 1.00 0.00 C ATOM 432 CD2 LEU A 53 0.768 13.024 -1.781 1.00 0.00 C ATOM 0 H LEU A 53 2.363 11.289 2.345 1.00 0.00 H new ATOM 0 HA LEU A 53 1.025 13.653 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.168 10.749 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.211 11.672 0.097 1.00 0.00 H new ATOM 0 HG LEU A 53 2.424 12.901 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.909 11.419 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.015 10.565 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.592 10.337 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.369 13.351 -2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.048 12.394 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.358 13.895 -1.270 1.00 0.00 H new ATOM 433 N GLY A 54 -1.142 11.554 2.294 1.00 0.00 N ATOM 434 CA GLY A 54 -2.380 11.391 3.038 1.00 0.00 C ATOM 435 C GLY A 54 -3.215 12.673 3.001 1.00 0.00 C ATOM 436 O GLY A 54 -2.971 13.600 3.771 1.00 0.00 O ATOM 0 H GLY A 54 -0.949 10.814 1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.955 10.566 2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.155 11.129 4.072 1.00 0.00 H new ATOM 437 N ASN A 55 -4.184 12.684 2.097 1.00 0.00 N ATOM 438 CA ASN A 55 -5.056 13.837 1.950 1.00 0.00 C ATOM 439 C ASN A 55 -6.204 13.483 1.002 1.00 0.00 C ATOM 440 O ASN A 55 -6.288 12.357 0.515 1.00 0.00 O ATOM 441 CB ASN A 55 -4.301 15.027 1.355 1.00 0.00 C ATOM 442 CG ASN A 55 -4.653 16.322 2.089 1.00 0.00 C ATOM 443 OD1 ASN A 55 -5.137 17.277 1.300 1.00 0.00 O flip ATOM 444 ND2 ASN A 55 -4.496 16.447 3.292 1.00 0.00 N flip ATOM 0 H ASN A 55 -4.384 11.913 1.460 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.430 14.106 2.938 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.227 14.849 1.418 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.546 15.126 0.298 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.119 15.674 3.840 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.741 17.325 3.750 1.00 0.00 H new ATOM 445 N ALA A 56 -7.060 14.468 0.768 1.00 0.00 N ATOM 446 CA ALA A 56 -8.200 14.275 -0.112 1.00 0.00 C ATOM 447 C ALA A 56 -7.897 14.902 -1.475 1.00 0.00 C ATOM 448 O ALA A 56 -8.507 14.536 -2.479 1.00 0.00 O ATOM 449 CB ALA A 56 -9.453 14.868 0.536 1.00 0.00 C ATOM 0 H ALA A 56 -6.987 15.401 1.173 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.387 13.213 -0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.308 14.723 -0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.641 14.370 1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.304 15.934 0.708 1.00 0.00 H new ATOM 450 N VAL A 57 -6.957 15.834 -1.466 1.00 0.00 N ATOM 451 CA VAL A 57 -6.566 16.515 -2.689 1.00 0.00 C ATOM 452 C VAL A 57 -5.505 15.684 -3.413 1.00 0.00 C ATOM 453 O VAL A 57 -5.450 15.676 -4.642 1.00 0.00 O ATOM 454 CB VAL A 57 -6.096 17.935 -2.370 1.00 0.00 C ATOM 455 CG1 VAL A 57 -4.596 17.963 -2.067 1.00 0.00 C ATOM 456 CG2 VAL A 57 -6.443 18.896 -3.509 1.00 0.00 C ATOM 0 H VAL A 57 -6.454 16.134 -0.631 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.419 16.612 -3.361 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.624 18.269 -1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.289 18.985 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.386 17.325 -1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.043 17.599 -2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.098 19.899 -3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.956 18.564 -4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.523 18.910 -3.657 1.00 0.00 H new ATOM 457 N LEU A 58 -4.689 15.003 -2.621 1.00 0.00 N ATOM 458 CA LEU A 58 -3.634 14.171 -3.173 1.00 0.00 C ATOM 459 C LEU A 58 -4.210 12.802 -3.543 1.00 0.00 C ATOM 460 O LEU A 58 -3.921 12.273 -4.614 1.00 0.00 O ATOM 461 CB LEU A 58 -2.450 14.098 -2.206 1.00 0.00 C ATOM 462 CG LEU A 58 -2.706 13.371 -0.884 1.00 0.00 C ATOM 463 CD1 LEU A 58 -2.697 11.854 -1.082 1.00 0.00 C ATOM 464 CD2 LEU A 58 -1.709 13.815 0.188 1.00 0.00 C ATOM 0 H LEU A 58 -4.738 15.011 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.242 14.611 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.622 13.605 -2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.127 15.114 -1.982 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.701 13.644 -0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.881 11.361 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.477 11.575 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.727 11.543 -1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.913 13.283 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.695 13.591 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.808 14.888 0.355 1.00 0.00 H new ATOM 465 N ARG A 59 -5.014 12.269 -2.634 1.00 0.00 N ATOM 466 CA ARG A 59 -5.633 10.973 -2.852 1.00 0.00 C ATOM 467 C ARG A 59 -6.652 11.056 -3.990 1.00 0.00 C ATOM 468 O ARG A 59 -7.241 10.047 -4.375 1.00 0.00 O ATOM 469 CB ARG A 59 -6.333 10.477 -1.586 1.00 0.00 C ATOM 470 CG ARG A 59 -7.689 11.164 -1.403 1.00 0.00 C ATOM 471 CD ARG A 59 -8.784 10.430 -2.177 1.00 0.00 C ATOM 472 NE ARG A 59 -10.046 10.446 -1.405 1.00 0.00 N ATOM 473 CZ ARG A 59 -11.110 9.681 -1.689 1.00 0.00 C ATOM 0 H ARG A 59 -5.251 12.711 -1.746 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.844 10.269 -3.117 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.473 9.398 -1.643 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.703 10.671 -0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.945 11.194 -0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.627 12.197 -1.746 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.935 10.904 -3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.478 9.401 -2.369 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.111 11.078 -0.607 1.00 0.00 H new ATOM 474 N ASN A 60 -6.829 12.267 -4.497 1.00 0.00 N ATOM 475 CA ASN A 60 -7.766 12.496 -5.583 1.00 0.00 C ATOM 476 C ASN A 60 -6.997 12.599 -6.902 1.00 0.00 C ATOM 477 O ASN A 60 -7.588 12.519 -7.977 1.00 0.00 O ATOM 478 CB ASN A 60 -8.535 13.802 -5.382 1.00 0.00 C ATOM 479 CG ASN A 60 -10.003 13.528 -5.047 1.00 0.00 C ATOM 480 OD1 ASN A 60 -10.683 12.757 -5.705 1.00 0.00 O ATOM 481 ND2 ASN A 60 -10.453 14.199 -3.991 1.00 0.00 N ATOM 0 H ASN A 60 -6.338 13.101 -4.175 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.469 11.663 -5.602 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.076 14.378 -4.578 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.471 14.408 -6.286 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.420 14.084 -3.688 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.831 14.829 -3.484 1.00 0.00 H new ATOM 482 N LYS A 61 -5.690 12.775 -6.775 1.00 0.00 N ATOM 483 CA LYS A 61 -4.833 12.890 -7.943 1.00 0.00 C ATOM 484 C LYS A 61 -3.809 11.753 -7.933 1.00 0.00 C ATOM 485 O LYS A 61 -3.075 11.566 -8.903 1.00 0.00 O ATOM 486 CB LYS A 61 -4.206 14.283 -8.012 1.00 0.00 C ATOM 487 CG LYS A 61 -4.388 14.899 -9.401 1.00 0.00 C ATOM 488 CD LYS A 61 -5.668 15.734 -9.467 1.00 0.00 C ATOM 489 CE LYS A 61 -5.345 17.223 -9.604 1.00 0.00 C ATOM 490 NZ LYS A 61 -6.585 18.006 -9.808 1.00 0.00 N ATOM 0 H LYS A 61 -5.203 12.841 -5.881 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.418 12.784 -8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.662 14.929 -7.262 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.144 14.220 -7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.528 15.525 -9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.426 14.109 -10.151 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.274 15.410 -10.313 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.261 15.568 -8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.830 17.573 -8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.667 17.378 -10.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.348 19.014 -9.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.061 17.683 -10.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.218 17.872 -8.994 1.00 0.00 H new ATOM 491 N ILE A 62 -3.791 11.025 -6.827 1.00 0.00 N ATOM 492 CA ILE A 62 -2.869 9.912 -6.678 1.00 0.00 C ATOM 493 C ILE A 62 -3.643 8.597 -6.777 1.00 0.00 C ATOM 494 O ILE A 62 -3.081 7.567 -7.145 1.00 0.00 O ATOM 495 CB ILE A 62 -2.062 10.055 -5.386 1.00 0.00 C ATOM 496 CG1 ILE A 62 -1.261 11.359 -5.381 1.00 0.00 C ATOM 497 CG2 ILE A 62 -1.168 8.833 -5.159 1.00 0.00 C ATOM 498 CD1 ILE A 62 -0.435 11.491 -4.100 1.00 0.00 C ATOM 0 H ILE A 62 -4.400 11.184 -6.025 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.137 9.913 -7.486 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.761 10.103 -4.551 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.601 11.388 -6.248 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.940 12.207 -5.469 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.605 8.961 -4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.786 7.938 -5.087 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.475 8.729 -5.994 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.124 12.426 -4.123 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.100 11.487 -3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.260 10.654 -4.027 1.00 0.00 H new ATOM 499 N LYS A 63 -4.923 8.673 -6.441 1.00 0.00 N ATOM 500 CA LYS A 63 -5.780 7.501 -6.487 1.00 0.00 C ATOM 501 C LYS A 63 -6.647 7.559 -7.746 1.00 0.00 C ATOM 502 O LYS A 63 -7.005 6.524 -8.306 1.00 0.00 O ATOM 503 CB LYS A 63 -6.585 7.375 -5.191 1.00 0.00 C ATOM 504 CG LYS A 63 -5.685 7.557 -3.967 1.00 0.00 C ATOM 505 CD LYS A 63 -6.431 7.202 -2.680 1.00 0.00 C ATOM 506 CE LYS A 63 -6.693 5.697 -2.595 1.00 0.00 C ATOM 507 NZ LYS A 63 -7.992 5.432 -1.939 1.00 0.00 N ATOM 0 H LYS A 63 -5.387 9.529 -6.136 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.181 6.593 -6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.379 8.122 -5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.066 6.398 -5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.801 6.927 -4.065 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.337 8.589 -3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.847 7.522 -1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.377 7.742 -2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.690 5.265 -3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.892 5.214 -2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.153 4.406 -1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.982 5.827 -0.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.755 5.876 -2.488 1.00 0.00 H new ATOM 508 N ARG A 64 -6.961 8.779 -8.155 1.00 0.00 N ATOM 509 CA ARG A 64 -7.780 8.986 -9.338 1.00 0.00 C ATOM 510 C ARG A 64 -7.075 8.424 -10.574 1.00 0.00 C ATOM 511 O ARG A 64 -7.502 7.413 -11.132 1.00 0.00 O ATOM 512 CB ARG A 64 -8.070 10.472 -9.555 1.00 0.00 C ATOM 513 CG ARG A 64 -8.667 10.717 -10.942 1.00 0.00 C ATOM 514 CD ARG A 64 -9.874 11.653 -10.862 1.00 0.00 C ATOM 515 NE ARG A 64 -10.308 12.036 -12.224 1.00 0.00 N ATOM 516 CZ ARG A 64 -11.405 12.759 -12.487 1.00 0.00 C ATOM 0 H ARG A 64 -6.663 9.635 -7.688 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.724 8.464 -9.184 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.761 10.827 -8.790 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.150 11.046 -9.445 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.910 11.149 -11.596 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.967 9.768 -11.385 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.692 11.161 -10.336 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.616 12.544 -10.289 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.736 11.731 -13.012 1.00 0.00 H new ATOM 517 N ALA A 65 -6.008 9.104 -10.969 1.00 0.00 N ATOM 518 CA ALA A 65 -5.241 8.686 -12.130 1.00 0.00 C ATOM 519 C ALA A 65 -4.811 7.229 -11.953 1.00 0.00 C ATOM 520 O ALA A 65 -4.696 6.490 -12.930 1.00 0.00 O ATOM 521 CB ALA A 65 -4.049 9.627 -12.319 1.00 0.00 C ATOM 0 H ALA A 65 -5.657 9.942 -10.505 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.848 8.743 -13.033 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.473 9.314 -13.190 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.409 10.645 -12.469 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.415 9.593 -11.433 1.00 0.00 H new ATOM 522 N ILE A 66 -4.585 6.859 -10.701 1.00 0.00 N ATOM 523 CA ILE A 66 -4.171 5.502 -10.385 1.00 0.00 C ATOM 524 C ILE A 66 -5.309 4.535 -10.716 1.00 0.00 C ATOM 525 O ILE A 66 -5.072 3.453 -11.253 1.00 0.00 O ATOM 526 CB ILE A 66 -3.691 5.414 -8.935 1.00 0.00 C ATOM 527 CG1 ILE A 66 -2.191 5.699 -8.835 1.00 0.00 C ATOM 528 CG2 ILE A 66 -4.060 4.064 -8.317 1.00 0.00 C ATOM 529 CD1 ILE A 66 -1.868 7.113 -9.322 1.00 0.00 C ATOM 0 H ILE A 66 -4.681 7.475 -9.894 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.318 5.211 -10.998 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.204 6.184 -8.358 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.863 5.583 -7.802 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.638 4.971 -9.429 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.707 4.027 -7.286 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.143 3.939 -8.335 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.593 3.262 -8.889 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.796 7.290 -9.240 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.175 7.218 -10.363 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.403 7.840 -8.710 1.00 0.00 H new ATOM 530 N ARG A 67 -6.519 4.959 -10.384 1.00 0.00 N ATOM 531 CA ARG A 67 -7.694 4.144 -10.640 1.00 0.00 C ATOM 532 C ARG A 67 -8.150 4.311 -12.091 1.00 0.00 C ATOM 533 O ARG A 67 -9.152 3.726 -12.502 1.00 0.00 O ATOM 534 CB ARG A 67 -8.844 4.526 -9.705 1.00 0.00 C ATOM 535 CG ARG A 67 -9.786 3.341 -9.484 1.00 0.00 C ATOM 536 CD ARG A 67 -11.230 3.816 -9.301 1.00 0.00 C ATOM 537 NE ARG A 67 -11.846 3.129 -8.145 1.00 0.00 N ATOM 538 CZ ARG A 67 -11.436 3.276 -6.878 1.00 0.00 C ATOM 0 H ARG A 67 -6.711 5.857 -9.940 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.422 3.104 -10.458 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.444 4.861 -8.748 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.399 5.363 -10.128 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.728 2.662 -10.334 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.470 2.779 -8.605 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.250 4.895 -9.146 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.806 3.613 -10.204 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.632 2.504 -8.324 1.00 0.00 H new ATOM 539 N GLU A 68 -7.392 5.111 -12.828 1.00 0.00 N ATOM 540 CA GLU A 68 -7.706 5.360 -14.224 1.00 0.00 C ATOM 541 C GLU A 68 -6.549 4.908 -15.117 1.00 0.00 C ATOM 542 O GLU A 68 -6.624 5.019 -16.340 1.00 0.00 O ATOM 543 CB GLU A 68 -8.033 6.837 -14.457 1.00 0.00 C ATOM 544 CG GLU A 68 -8.098 7.156 -15.951 1.00 0.00 C ATOM 545 CD GLU A 68 -9.059 8.315 -16.224 1.00 0.00 C ATOM 546 OE1 GLU A 68 -8.755 9.428 -15.744 1.00 0.00 O ATOM 547 OE2 GLU A 68 -10.076 8.061 -16.906 1.00 0.00 O ATOM 0 H GLU A 68 -6.562 5.594 -12.484 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.590 4.779 -14.487 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.986 7.080 -13.988 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.276 7.460 -13.981 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.103 7.411 -16.316 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.423 6.273 -16.501 1.00 0.00 H new ATOM 548 N ASN A 69 -5.505 4.408 -14.472 1.00 0.00 N ATOM 549 CA ASN A 69 -4.334 3.939 -15.192 1.00 0.00 C ATOM 550 C ASN A 69 -4.412 2.418 -15.348 1.00 0.00 C ATOM 551 O ASN A 69 -4.440 1.906 -16.466 1.00 0.00 O ATOM 552 CB ASN A 69 -3.050 4.270 -14.431 1.00 0.00 C ATOM 553 CG ASN A 69 -1.821 4.095 -15.326 1.00 0.00 C ATOM 554 OD1 ASN A 69 -1.019 3.192 -15.155 1.00 0.00 O ATOM 555 ND2 ASN A 69 -1.719 5.009 -16.289 1.00 0.00 N ATOM 0 H ASN A 69 -5.446 4.318 -13.458 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.315 4.434 -16.163 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.094 5.296 -14.065 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.964 3.623 -13.558 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.934 4.979 -16.939 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.426 5.739 -16.376 1.00 0.00 H new ATOM 556 N PHE A 70 -4.445 1.740 -14.210 1.00 0.00 N ATOM 557 CA PHE A 70 -4.519 0.289 -14.207 1.00 0.00 C ATOM 558 C PHE A 70 -5.874 -0.193 -14.728 1.00 0.00 C ATOM 559 O PHE A 70 -6.029 -1.361 -15.079 1.00 0.00 O ATOM 560 CB PHE A 70 -4.356 -0.164 -12.754 1.00 0.00 C ATOM 561 CG PHE A 70 -2.974 -0.735 -12.432 1.00 0.00 C ATOM 562 CD1 PHE A 70 -1.912 0.100 -12.274 1.00 0.00 C ATOM 563 CD2 PHE A 70 -2.807 -2.079 -12.304 1.00 0.00 C ATOM 564 CE1 PHE A 70 -0.629 -0.432 -11.975 1.00 0.00 C ATOM 565 CE2 PHE A 70 -1.524 -2.610 -12.005 1.00 0.00 C ATOM 566 CZ PHE A 70 -0.463 -1.775 -11.847 1.00 0.00 C ATOM 0 H PHE A 70 -4.422 2.168 -13.285 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.744 -0.124 -14.853 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.550 0.683 -12.096 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.110 -0.919 -12.533 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.044 1.167 -12.376 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.650 -2.742 -12.430 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.214 0.231 -11.849 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.391 -3.677 -11.903 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.512 -2.179 -11.620 1.00 0.00 H new ATOM 567 N LYS A 71 -6.821 0.733 -14.764 1.00 0.00 N ATOM 568 CA LYS A 71 -8.158 0.418 -15.238 1.00 0.00 C ATOM 569 C LYS A 71 -8.107 0.124 -16.739 1.00 0.00 C ATOM 570 O LYS A 71 -8.714 -0.838 -17.208 1.00 0.00 O ATOM 571 CB LYS A 71 -9.136 1.533 -14.864 1.00 0.00 C ATOM 572 CG LYS A 71 -10.533 0.970 -14.592 1.00 0.00 C ATOM 573 CD LYS A 71 -10.806 0.885 -13.088 1.00 0.00 C ATOM 574 CE LYS A 71 -12.303 1.008 -12.796 1.00 0.00 C ATOM 575 NZ LYS A 71 -12.748 2.411 -12.950 1.00 0.00 N ATOM 0 H LYS A 71 -6.689 1.702 -14.473 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.533 -0.481 -14.749 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.773 2.058 -13.980 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.186 2.264 -15.671 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.283 1.603 -15.066 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.623 -0.020 -15.038 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.433 -0.063 -12.700 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.264 1.677 -12.571 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.866 0.366 -13.473 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.511 0.663 -11.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.668 2.537 -12.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.049 3.047 -12.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.840 2.637 -13.961 1.00 0.00 H new ATOM 576 N VAL A 72 -7.376 0.969 -17.451 1.00 0.00 N ATOM 577 CA VAL A 72 -7.239 0.812 -18.888 1.00 0.00 C ATOM 578 C VAL A 72 -6.233 -0.304 -19.180 1.00 0.00 C ATOM 579 O VAL A 72 -6.452 -1.124 -20.070 1.00 0.00 O ATOM 580 CB VAL A 72 -6.851 2.147 -19.527 1.00 0.00 C ATOM 581 CG1 VAL A 72 -7.726 3.284 -18.994 1.00 0.00 C ATOM 582 CG2 VAL A 72 -5.367 2.449 -19.307 1.00 0.00 C ATOM 0 H VAL A 72 -6.872 1.765 -17.059 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.190 0.519 -19.332 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.021 2.067 -20.601 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.430 4.222 -19.464 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.771 3.077 -19.224 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.601 3.364 -17.914 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.117 3.403 -19.771 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.161 2.500 -18.238 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.765 1.659 -19.755 1.00 0.00 H new ATOM 583 N HIS A 73 -5.152 -0.299 -18.414 1.00 0.00 N ATOM 584 CA HIS A 73 -4.113 -1.300 -18.579 1.00 0.00 C ATOM 585 C HIS A 73 -4.535 -2.598 -17.887 1.00 0.00 C ATOM 586 O HIS A 73 -3.752 -3.542 -17.799 1.00 0.00 O ATOM 587 CB HIS A 73 -2.766 -0.773 -18.080 1.00 0.00 C ATOM 588 CG HIS A 73 -2.213 0.371 -18.895 1.00 0.00 C ATOM 589 ND1 HIS A 73 -1.462 0.180 -20.042 1.00 0.00 N ATOM 590 CD2 HIS A 73 -2.312 1.720 -18.719 1.00 0.00 C ATOM 591 CE1 HIS A 73 -1.128 1.368 -20.525 1.00 0.00 C ATOM 592 NE2 HIS A 73 -1.655 2.320 -19.705 1.00 0.00 N ATOM 0 H HIS A 73 -4.974 0.383 -17.677 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.981 -1.520 -19.638 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -2.875 -0.449 -17.045 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.044 -1.590 -18.083 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -2.835 2.216 -17.915 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.541 1.550 -21.413 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.560 3.328 -19.828 1.00 0.00 H new ATOM 593 N LYS A 74 -5.773 -2.602 -17.413 1.00 0.00 N ATOM 594 CA LYS A 74 -6.309 -3.768 -16.731 1.00 0.00 C ATOM 595 C LYS A 74 -6.069 -5.011 -17.590 1.00 0.00 C ATOM 596 O LYS A 74 -5.640 -6.047 -17.083 1.00 0.00 O ATOM 597 CB LYS A 74 -7.778 -3.547 -16.367 1.00 0.00 C ATOM 598 CG LYS A 74 -8.469 -4.874 -16.044 1.00 0.00 C ATOM 599 CD LYS A 74 -9.972 -4.674 -15.840 1.00 0.00 C ATOM 600 CE LYS A 74 -10.313 -4.566 -14.353 1.00 0.00 C ATOM 601 NZ LYS A 74 -11.763 -4.773 -14.138 1.00 0.00 N ATOM 0 H LYS A 74 -6.420 -1.817 -17.488 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.791 -3.928 -15.786 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.847 -2.879 -15.509 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.292 -3.057 -17.194 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.300 -5.583 -16.854 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.031 -5.307 -15.145 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.296 -3.771 -16.358 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.517 -5.508 -16.282 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.746 -5.307 -13.789 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.020 -3.586 -13.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.978 -4.696 -13.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.298 -4.050 -14.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.033 -5.718 -14.479 1.00 0.00 H new ATOM 602 N SER A 75 -6.355 -4.868 -18.875 1.00 0.00 N ATOM 603 CA SER A 75 -6.175 -5.966 -19.810 1.00 0.00 C ATOM 604 C SER A 75 -4.714 -6.040 -20.255 1.00 0.00 C ATOM 605 O SER A 75 -4.377 -6.794 -21.168 1.00 0.00 O ATOM 606 CB SER A 75 -7.093 -5.812 -21.025 1.00 0.00 C ATOM 607 OG SER A 75 -8.149 -6.769 -21.022 1.00 0.00 O ATOM 0 H SER A 75 -6.711 -4.008 -19.292 1.00 0.00 H new ATOM 0 HA SER A 75 -6.441 -6.893 -19.303 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.515 -4.807 -21.035 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.507 -5.921 -21.938 1.00 0.00 H new ATOM 0 HG SER A 75 -8.713 -6.636 -21.812 1.00 0.00 H new ATOM 608 N HIS A 76 -3.885 -5.250 -19.590 1.00 0.00 N ATOM 609 CA HIS A 76 -2.467 -5.218 -19.905 1.00 0.00 C ATOM 610 C HIS A 76 -1.672 -5.859 -18.766 1.00 0.00 C ATOM 611 O HIS A 76 -0.674 -6.536 -19.005 1.00 0.00 O ATOM 612 CB HIS A 76 -2.012 -3.789 -20.215 1.00 0.00 C ATOM 613 CG HIS A 76 -2.961 -3.021 -21.103 1.00 0.00 C ATOM 614 ND1 HIS A 76 -4.317 -3.094 -21.233 1.00 0.00 N flip ATOM 615 CD2 HIS A 76 -2.536 -2.049 -21.991 1.00 0.00 C flip ATOM 616 CE1 HIS A 76 -4.699 -2.213 -22.147 1.00 0.00 C flip ATOM 617 NE2 HIS A 76 -3.596 -1.563 -22.620 1.00 0.00 N flip ATOM 0 H HIS A 76 -4.168 -4.627 -18.834 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.278 -5.802 -20.806 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.889 -3.247 -19.278 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.033 -3.826 -20.693 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -1.513 -1.739 -22.145 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.716 -2.038 -22.465 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -3.589 -0.832 -23.332 1.00 0.00 H new ATOM 618 N ILE A 77 -2.146 -5.623 -17.551 1.00 0.00 N ATOM 619 CA ILE A 77 -1.493 -6.170 -16.374 1.00 0.00 C ATOM 620 C ILE A 77 -1.748 -7.676 -16.307 1.00 0.00 C ATOM 621 O ILE A 77 -2.828 -8.142 -16.668 1.00 0.00 O ATOM 622 CB ILE A 77 -1.932 -5.414 -15.118 1.00 0.00 C ATOM 623 CG1 ILE A 77 -1.128 -4.126 -14.943 1.00 0.00 C ATOM 624 CG2 ILE A 77 -1.851 -6.313 -13.882 1.00 0.00 C ATOM 625 CD1 ILE A 77 -1.186 -3.266 -16.207 1.00 0.00 C ATOM 0 H ILE A 77 -2.974 -5.060 -17.357 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.414 -6.033 -16.439 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.976 -5.126 -15.240 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.519 -3.561 -14.097 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.091 -4.369 -14.712 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.168 -5.752 -13.003 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.503 -7.176 -14.017 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.824 -6.652 -13.745 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.606 -2.356 -16.055 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.772 -3.824 -17.046 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.222 -3.004 -16.422 1.00 0.00 H new ATOM 626 N LEU A 78 -0.737 -8.396 -15.843 1.00 0.00 N ATOM 627 CA LEU A 78 -0.839 -9.840 -15.725 1.00 0.00 C ATOM 628 C LEU A 78 -0.932 -10.221 -14.245 1.00 0.00 C ATOM 629 O LEU A 78 -0.753 -9.375 -13.371 1.00 0.00 O ATOM 630 CB LEU A 78 0.315 -10.522 -16.464 1.00 0.00 C ATOM 631 CG LEU A 78 1.429 -9.599 -16.962 1.00 0.00 C ATOM 632 CD1 LEU A 78 0.862 -8.473 -17.828 1.00 0.00 C ATOM 633 CD2 LEU A 78 2.260 -9.063 -15.795 1.00 0.00 C ATOM 0 H LEU A 78 0.157 -8.006 -15.544 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.750 -10.198 -16.205 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.756 -11.266 -15.801 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.094 -11.060 -17.319 1.00 0.00 H new ATOM 0 HG LEU A 78 2.100 -10.183 -17.593 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.675 -7.832 -18.169 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.350 -8.900 -18.691 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.156 -7.884 -17.242 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.045 -8.410 -16.177 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.617 -8.500 -15.118 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.712 -9.896 -15.257 1.00 0.00 H new ATOM 634 N ALA A 79 -1.211 -11.495 -14.011 1.00 0.00 N ATOM 635 CA ALA A 79 -1.330 -11.997 -12.653 1.00 0.00 C ATOM 636 C ALA A 79 -0.013 -11.762 -11.909 1.00 0.00 C ATOM 637 O ALA A 79 1.015 -12.335 -12.265 1.00 0.00 O ATOM 638 CB ALA A 79 -1.723 -13.476 -12.689 1.00 0.00 C ATOM 0 H ALA A 79 -1.358 -12.194 -14.739 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.113 -11.464 -12.114 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.813 -13.854 -11.670 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.678 -13.586 -13.202 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.958 -14.043 -13.220 1.00 0.00 H new ATOM 639 N LYS A 80 -0.088 -10.918 -10.892 1.00 0.00 N ATOM 640 CA LYS A 80 1.085 -10.600 -10.095 1.00 0.00 C ATOM 641 C LYS A 80 0.714 -9.553 -9.044 1.00 0.00 C ATOM 642 O LYS A 80 0.389 -8.416 -9.382 1.00 0.00 O ATOM 643 CB LYS A 80 2.246 -10.179 -10.998 1.00 0.00 C ATOM 644 CG LYS A 80 3.565 -10.786 -10.512 1.00 0.00 C ATOM 645 CD LYS A 80 4.740 -9.849 -10.800 1.00 0.00 C ATOM 646 CE LYS A 80 6.057 -10.454 -10.312 1.00 0.00 C ATOM 647 NZ LYS A 80 6.739 -11.167 -11.415 1.00 0.00 N ATOM 0 H LYS A 80 -0.943 -10.444 -10.601 1.00 0.00 H new ATOM 0 HA LYS A 80 1.431 -11.483 -9.557 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.050 -10.498 -12.022 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.325 -9.092 -11.012 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.506 -10.983 -9.441 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.731 -11.745 -11.003 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.800 -9.654 -11.871 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.573 -8.890 -10.310 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.704 -9.667 -9.924 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.865 -11.143 -9.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.767 -11.027 -11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.522 -12.183 -11.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.408 -10.793 -12.327 1.00 0.00 H new ATOM 648 N ASP A 81 0.773 -9.973 -7.788 1.00 0.00 N ATOM 649 CA ASP A 81 0.447 -9.087 -6.685 1.00 0.00 C ATOM 650 C ASP A 81 1.164 -7.749 -6.883 1.00 0.00 C ATOM 651 O ASP A 81 2.365 -7.643 -6.640 1.00 0.00 O ATOM 652 CB ASP A 81 0.906 -9.677 -5.350 1.00 0.00 C ATOM 653 CG ASP A 81 0.743 -11.193 -5.222 1.00 0.00 C ATOM 654 OD1 ASP A 81 1.576 -11.905 -5.820 1.00 0.00 O ATOM 655 OD2 ASP A 81 -0.213 -11.603 -4.529 1.00 0.00 O ATOM 0 H ASP A 81 1.042 -10.917 -7.511 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.635 -8.954 -6.667 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.956 -9.426 -5.201 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.347 -9.198 -4.547 1.00 0.00 H new ATOM 656 N ILE A 82 0.396 -6.763 -7.322 1.00 0.00 N ATOM 657 CA ILE A 82 0.942 -5.437 -7.554 1.00 0.00 C ATOM 658 C ILE A 82 0.382 -4.468 -6.510 1.00 0.00 C ATOM 659 O ILE A 82 -0.655 -4.734 -5.906 1.00 0.00 O ATOM 660 CB ILE A 82 0.688 -4.998 -8.998 1.00 0.00 C ATOM 661 CG1 ILE A 82 1.196 -3.575 -9.238 1.00 0.00 C ATOM 662 CG2 ILE A 82 -0.790 -5.148 -9.365 1.00 0.00 C ATOM 663 CD1 ILE A 82 0.195 -2.541 -8.717 1.00 0.00 C ATOM 0 H ILE A 82 -0.600 -6.856 -7.523 1.00 0.00 H new ATOM 0 HA ILE A 82 2.025 -5.446 -7.433 1.00 0.00 H new ATOM 0 HB ILE A 82 1.253 -5.656 -9.658 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.157 -3.439 -8.741 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.364 -3.420 -10.304 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.943 -4.829 -10.396 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.087 -6.192 -9.260 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.394 -4.530 -8.701 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.580 -1.538 -8.900 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.757 -2.664 -9.233 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.048 -2.684 -7.646 1.00 0.00 H new ATOM 664 N ILE A 83 1.094 -3.365 -6.331 1.00 0.00 N ATOM 665 CA ILE A 83 0.681 -2.356 -5.371 1.00 0.00 C ATOM 666 C ILE A 83 1.371 -1.031 -5.702 1.00 0.00 C ATOM 667 O ILE A 83 2.587 -0.910 -5.566 1.00 0.00 O ATOM 668 CB ILE A 83 0.933 -2.841 -3.942 1.00 0.00 C ATOM 669 CG1 ILE A 83 -0.064 -3.933 -3.549 1.00 0.00 C ATOM 670 CG2 ILE A 83 0.919 -1.672 -2.956 1.00 0.00 C ATOM 671 CD1 ILE A 83 -0.218 -4.016 -2.029 1.00 0.00 C ATOM 0 H ILE A 83 1.954 -3.148 -6.835 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.393 -2.182 -5.439 1.00 0.00 H new ATOM 0 HB ILE A 83 1.928 -3.284 -3.903 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.032 -3.727 -4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.273 -4.894 -3.937 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.101 -2.044 -1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.698 -0.959 -3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.052 -1.178 -2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.932 -4.800 -1.778 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.747 -4.246 -1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.579 -3.061 -1.647 1.00 0.00 H new ATOM 672 N VAL A 84 0.564 -0.070 -6.129 1.00 0.00 N ATOM 673 CA VAL A 84 1.082 1.241 -6.480 1.00 0.00 C ATOM 674 C VAL A 84 0.971 2.169 -5.269 1.00 0.00 C ATOM 675 O VAL A 84 -0.128 2.431 -4.782 1.00 0.00 O ATOM 676 CB VAL A 84 0.353 1.778 -7.713 1.00 0.00 C ATOM 677 CG1 VAL A 84 0.375 0.756 -8.851 1.00 0.00 C ATOM 678 CG2 VAL A 84 -1.081 2.185 -7.370 1.00 0.00 C ATOM 0 H VAL A 84 -0.445 -0.174 -6.240 1.00 0.00 H new ATOM 0 HA VAL A 84 2.137 1.177 -6.745 1.00 0.00 H new ATOM 0 HB VAL A 84 0.881 2.669 -8.052 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.150 1.163 -9.715 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.407 0.537 -9.123 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.117 -0.161 -8.526 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.576 2.563 -8.265 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.625 1.319 -6.993 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.066 2.964 -6.607 1.00 0.00 H new ATOM 679 N ILE A 85 2.124 2.641 -4.817 1.00 0.00 N ATOM 680 CA ILE A 85 2.170 3.534 -3.672 1.00 0.00 C ATOM 681 C ILE A 85 2.786 4.869 -4.096 1.00 0.00 C ATOM 682 O ILE A 85 3.608 4.913 -5.010 1.00 0.00 O ATOM 683 CB ILE A 85 2.893 2.867 -2.500 1.00 0.00 C ATOM 684 CG1 ILE A 85 2.699 1.349 -2.528 1.00 0.00 C ATOM 685 CG2 ILE A 85 2.456 3.476 -1.167 1.00 0.00 C ATOM 686 CD1 ILE A 85 3.955 0.645 -3.049 1.00 0.00 C ATOM 0 H ILE A 85 3.033 2.422 -5.223 1.00 0.00 H new ATOM 0 HA ILE A 85 1.163 3.747 -3.315 1.00 0.00 H new ATOM 0 HB ILE A 85 3.961 3.057 -2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.466 0.990 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.848 1.099 -3.162 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.985 2.984 -0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.688 4.541 -1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.382 3.338 -1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.791 -0.432 -3.059 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.171 0.988 -4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.798 0.877 -2.399 1.00 0.00 H new ATOM 687 N ALA A 86 2.364 5.921 -3.412 1.00 0.00 N ATOM 688 CA ALA A 86 2.865 7.254 -3.707 1.00 0.00 C ATOM 689 C ALA A 86 4.134 7.509 -2.891 1.00 0.00 C ATOM 690 O ALA A 86 4.150 7.301 -1.680 1.00 0.00 O ATOM 691 CB ALA A 86 1.772 8.285 -3.421 1.00 0.00 C ATOM 0 H ALA A 86 1.682 5.879 -2.655 1.00 0.00 H new ATOM 0 HA ALA A 86 3.127 7.341 -4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.147 9.284 -3.642 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.903 8.077 -4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.485 8.229 -2.371 1.00 0.00 H new ATOM 692 N ARG A 87 5.168 7.956 -3.590 1.00 0.00 N ATOM 693 CA ARG A 87 6.440 8.241 -2.947 1.00 0.00 C ATOM 694 C ARG A 87 6.235 9.197 -1.770 1.00 0.00 C ATOM 695 O ARG A 87 6.390 8.806 -0.614 1.00 0.00 O ATOM 696 CB ARG A 87 7.429 8.863 -3.934 1.00 0.00 C ATOM 697 CG ARG A 87 8.314 7.789 -4.571 1.00 0.00 C ATOM 698 CD ARG A 87 9.748 7.876 -4.042 1.00 0.00 C ATOM 699 NE ARG A 87 10.167 6.564 -3.499 1.00 0.00 N ATOM 700 CZ ARG A 87 11.123 6.406 -2.574 1.00 0.00 C ATOM 0 H ARG A 87 5.151 8.128 -4.595 1.00 0.00 H new ATOM 0 HA ARG A 87 6.850 7.297 -2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.885 9.399 -4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.052 9.594 -3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.904 6.802 -4.359 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.314 7.908 -5.654 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.422 8.180 -4.843 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.812 8.638 -3.265 1.00 0.00 H new ATOM 0 HE ARG A 87 9.699 5.729 -3.851 1.00 0.00 H new ATOM 701 N GLN A 88 5.890 10.432 -2.105 1.00 0.00 N ATOM 702 CA GLN A 88 5.663 11.446 -1.089 1.00 0.00 C ATOM 703 C GLN A 88 5.517 12.824 -1.740 1.00 0.00 C ATOM 704 O GLN A 88 4.566 13.550 -1.457 1.00 0.00 O ATOM 705 CB GLN A 88 6.787 11.446 -0.052 1.00 0.00 C ATOM 706 CG GLN A 88 7.043 12.857 0.480 1.00 0.00 C ATOM 707 CD GLN A 88 8.108 13.574 -0.352 1.00 0.00 C ATOM 708 OE1 GLN A 88 7.865 14.598 -0.970 1.00 0.00 O ATOM 709 NE2 GLN A 88 9.298 12.980 -0.336 1.00 0.00 N ATOM 0 H GLN A 88 5.762 10.753 -3.065 1.00 0.00 H new ATOM 0 HA GLN A 88 4.735 11.210 -0.569 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.525 10.784 0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 88 7.699 11.051 -0.499 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.116 13.430 0.461 1.00 0.00 H new ATOM 0 HG3 GLN A 88 7.364 12.804 1.520 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.434 12.124 0.202 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.075 13.380 -0.862 1.00 0.00 H new ATOM 710 N PRO A 89 6.500 13.150 -2.622 1.00 0.00 N ATOM 711 CA PRO A 89 6.490 14.427 -3.315 1.00 0.00 C ATOM 712 C PRO A 89 5.440 14.440 -4.426 1.00 0.00 C ATOM 713 O PRO A 89 5.309 15.425 -5.151 1.00 0.00 O ATOM 714 CB PRO A 89 7.908 14.603 -3.834 1.00 0.00 C ATOM 715 CG PRO A 89 8.533 13.218 -3.818 1.00 0.00 C ATOM 716 CD PRO A 89 7.642 12.315 -2.982 1.00 0.00 C ATOM 0 HA PRO A 89 6.212 15.257 -2.665 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.906 15.019 -4.842 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.471 15.293 -3.205 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.626 12.829 -4.832 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.538 13.257 -3.398 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.328 11.437 -3.546 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.164 11.955 -2.096 1.00 0.00 H new ATOM 717 N ALA A 90 4.717 13.334 -4.528 1.00 0.00 N ATOM 718 CA ALA A 90 3.682 13.206 -5.539 1.00 0.00 C ATOM 719 C ALA A 90 2.356 13.718 -4.972 1.00 0.00 C ATOM 720 O ALA A 90 1.313 13.095 -5.167 1.00 0.00 O ATOM 721 CB ALA A 90 3.596 11.749 -5.999 1.00 0.00 C ATOM 0 H ALA A 90 4.828 12.518 -3.926 1.00 0.00 H new ATOM 0 HA ALA A 90 3.922 13.811 -6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.819 11.652 -6.758 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.554 11.443 -6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.353 11.113 -5.148 1.00 0.00 H new ATOM 722 N LYS A 91 2.439 14.847 -4.285 1.00 0.00 N ATOM 723 CA LYS A 91 1.259 15.449 -3.690 1.00 0.00 C ATOM 724 C LYS A 91 0.632 16.426 -4.688 1.00 0.00 C ATOM 725 O LYS A 91 -0.579 16.408 -4.901 1.00 0.00 O ATOM 726 CB LYS A 91 1.604 16.085 -2.342 1.00 0.00 C ATOM 727 CG LYS A 91 0.344 16.597 -1.639 1.00 0.00 C ATOM 728 CD LYS A 91 0.696 17.298 -0.325 1.00 0.00 C ATOM 729 CE LYS A 91 -0.367 18.335 0.045 1.00 0.00 C ATOM 730 NZ LYS A 91 0.107 19.188 1.157 1.00 0.00 N ATOM 0 H LYS A 91 3.306 15.361 -4.127 1.00 0.00 H new ATOM 0 HA LYS A 91 0.510 14.687 -3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.106 15.354 -1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.301 16.909 -2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.186 17.289 -2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.331 15.764 -1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.783 16.560 0.473 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.667 17.784 -0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.598 18.953 -0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.290 17.832 0.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.626 19.886 1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.305 18.596 1.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.976 19.683 0.869 1.00 0.00 H new ATOM 731 N ASP A 92 1.485 17.253 -5.272 1.00 0.00 N ATOM 732 CA ASP A 92 1.030 18.234 -6.243 1.00 0.00 C ATOM 733 C ASP A 92 1.228 17.679 -7.655 1.00 0.00 C ATOM 734 O ASP A 92 1.438 18.438 -8.600 1.00 0.00 O ATOM 735 CB ASP A 92 1.830 19.534 -6.129 1.00 0.00 C ATOM 736 CG ASP A 92 1.416 20.450 -4.976 1.00 0.00 C ATOM 737 OD1 ASP A 92 0.379 21.131 -5.137 1.00 0.00 O ATOM 738 OD2 ASP A 92 2.144 20.450 -3.960 1.00 0.00 O ATOM 0 H ASP A 92 2.489 17.265 -5.092 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.022 18.439 -6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.885 19.285 -6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.733 20.086 -7.064 1.00 0.00 H new ATOM 739 N MET A 93 1.153 16.360 -7.754 1.00 0.00 N ATOM 740 CA MET A 93 1.322 15.695 -9.034 1.00 0.00 C ATOM 741 C MET A 93 0.219 16.103 -10.012 1.00 0.00 C ATOM 742 O MET A 93 -0.403 17.151 -9.851 1.00 0.00 O ATOM 743 CB MET A 93 1.288 14.179 -8.830 1.00 0.00 C ATOM 744 CG MET A 93 -0.131 13.699 -8.518 1.00 0.00 C ATOM 745 SD MET A 93 -0.229 11.926 -8.699 1.00 0.00 S ATOM 746 CE MET A 93 1.437 11.476 -8.242 1.00 0.00 C ATOM 0 H MET A 93 0.977 15.734 -6.968 1.00 0.00 H new ATOM 0 HA MET A 93 2.283 15.993 -9.454 1.00 0.00 H new ATOM 0 HB2 MET A 93 1.656 13.680 -9.726 1.00 0.00 H new ATOM 0 HB3 MET A 93 1.957 13.903 -8.014 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.405 13.985 -7.503 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.843 14.181 -9.188 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.417 10.561 -7.649 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.030 11.312 -9.142 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.883 12.279 -7.655 1.00 0.00 H new ATOM 747 N THR A 94 0.010 15.252 -11.007 1.00 0.00 N ATOM 748 CA THR A 94 -1.006 15.512 -12.012 1.00 0.00 C ATOM 749 C THR A 94 -1.449 14.204 -12.673 1.00 0.00 C ATOM 750 O THR A 94 -0.651 13.281 -12.825 1.00 0.00 O ATOM 751 CB THR A 94 -0.443 16.532 -13.002 1.00 0.00 C ATOM 752 OG1 THR A 94 0.821 15.992 -13.377 1.00 0.00 O ATOM 753 CG2 THR A 94 -0.097 17.865 -12.336 1.00 0.00 C ATOM 0 H THR A 94 0.527 14.383 -11.138 1.00 0.00 H new ATOM 0 HA THR A 94 -1.905 15.935 -11.564 1.00 0.00 H new ATOM 0 HB THR A 94 -1.167 16.702 -13.799 1.00 0.00 H new ATOM 0 HG1 THR A 94 1.255 16.591 -14.020 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.299 18.553 -13.083 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.995 18.292 -11.889 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.652 17.701 -11.561 1.00 0.00 H new ATOM 754 N THR A 95 -2.719 14.168 -13.047 1.00 0.00 N ATOM 755 CA THR A 95 -3.277 12.989 -13.687 1.00 0.00 C ATOM 756 C THR A 95 -2.331 12.473 -14.773 1.00 0.00 C ATOM 757 O THR A 95 -2.412 11.313 -15.173 1.00 0.00 O ATOM 758 CB THR A 95 -4.667 13.350 -14.215 1.00 0.00 C ATOM 759 OG1 THR A 95 -5.519 13.203 -13.081 1.00 0.00 O ATOM 760 CG2 THR A 95 -5.199 12.324 -15.216 1.00 0.00 C ATOM 0 H THR A 95 -3.378 14.936 -12.919 1.00 0.00 H new ATOM 0 HA THR A 95 -3.386 12.169 -12.977 1.00 0.00 H new ATOM 0 HB THR A 95 -4.631 14.332 -14.687 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.441 13.420 -13.334 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.188 12.629 -15.559 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.523 12.263 -16.068 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.266 11.348 -14.735 1.00 0.00 H new ATOM 761 N LEU A 96 -1.454 13.361 -15.218 1.00 0.00 N ATOM 762 CA LEU A 96 -0.492 13.009 -16.249 1.00 0.00 C ATOM 763 C LEU A 96 0.713 12.322 -15.605 1.00 0.00 C ATOM 764 O LEU A 96 1.146 11.265 -16.060 1.00 0.00 O ATOM 765 CB LEU A 96 -0.125 14.241 -17.082 1.00 0.00 C ATOM 766 CG LEU A 96 1.204 14.169 -17.835 1.00 0.00 C ATOM 767 CD1 LEU A 96 1.542 12.725 -18.216 1.00 0.00 C ATOM 768 CD2 LEU A 96 1.195 15.095 -19.053 1.00 0.00 C ATOM 0 H LEU A 96 -1.389 14.323 -14.884 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.928 12.296 -16.949 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.921 14.416 -17.806 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.099 15.107 -16.421 1.00 0.00 H new ATOM 0 HG LEU A 96 1.993 14.519 -17.169 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.492 12.702 -18.750 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.619 12.119 -17.313 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.756 12.324 -18.856 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.152 15.025 -19.571 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.394 14.798 -19.730 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.033 16.123 -18.728 1.00 0.00 H new ATOM 769 N GLN A 97 1.220 12.949 -14.554 1.00 0.00 N ATOM 770 CA GLN A 97 2.366 12.412 -13.842 1.00 0.00 C ATOM 771 C GLN A 97 2.179 10.914 -13.589 1.00 0.00 C ATOM 772 O GLN A 97 3.137 10.145 -13.655 1.00 0.00 O ATOM 773 CB GLN A 97 2.600 13.164 -12.531 1.00 0.00 C ATOM 774 CG GLN A 97 2.995 14.618 -12.795 1.00 0.00 C ATOM 775 CD GLN A 97 4.491 14.832 -12.555 1.00 0.00 C ATOM 776 OE1 GLN A 97 4.918 15.296 -11.511 1.00 0.00 O ATOM 777 NE2 GLN A 97 5.260 14.470 -13.579 1.00 0.00 N ATOM 0 H GLN A 97 0.857 13.825 -14.178 1.00 0.00 H new ATOM 0 HA GLN A 97 3.251 12.549 -14.463 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.695 13.134 -11.924 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.384 12.669 -11.959 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.746 14.886 -13.822 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.421 15.278 -12.145 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.837 14.088 -14.425 1.00 0.00 H new ATOM 0 HE22 GLN A 97 6.273 14.574 -13.518 1.00 0.00 H new ATOM 778 N ILE A 98 0.939 10.545 -13.304 1.00 0.00 N ATOM 779 CA ILE A 98 0.614 9.153 -13.042 1.00 0.00 C ATOM 780 C ILE A 98 1.021 8.303 -14.246 1.00 0.00 C ATOM 781 O ILE A 98 1.965 7.519 -14.166 1.00 0.00 O ATOM 782 CB ILE A 98 -0.861 9.010 -12.658 1.00 0.00 C ATOM 783 CG1 ILE A 98 -1.152 9.715 -11.331 1.00 0.00 C ATOM 784 CG2 ILE A 98 -1.280 7.540 -12.632 1.00 0.00 C ATOM 785 CD1 ILE A 98 -1.488 11.190 -11.555 1.00 0.00 C ATOM 0 H ILE A 98 0.147 11.186 -13.249 1.00 0.00 H new ATOM 0 HA ILE A 98 1.180 8.785 -12.186 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.463 9.502 -13.422 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -1.983 9.221 -10.828 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.287 9.631 -10.674 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.332 7.466 -12.356 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.132 7.102 -13.619 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.675 7.002 -11.902 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.690 11.667 -10.596 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.645 11.686 -12.036 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.368 11.270 -12.193 1.00 0.00 H new ATOM 786 N GLN A 99 0.288 8.486 -15.335 1.00 0.00 N ATOM 787 CA GLN A 99 0.562 7.745 -16.555 1.00 0.00 C ATOM 788 C GLN A 99 1.990 8.018 -17.032 1.00 0.00 C ATOM 789 O GLN A 99 2.523 7.279 -17.859 1.00 0.00 O ATOM 790 CB GLN A 99 -0.455 8.089 -17.644 1.00 0.00 C ATOM 791 CG GLN A 99 -0.489 9.595 -17.908 1.00 0.00 C ATOM 792 CD GLN A 99 -1.832 10.016 -18.510 1.00 0.00 C ATOM 793 OE1 GLN A 99 -1.971 10.209 -19.707 1.00 0.00 O ATOM 794 NE2 GLN A 99 -2.808 10.148 -17.618 1.00 0.00 N ATOM 0 H GLN A 99 -0.495 9.137 -15.398 1.00 0.00 H new ATOM 0 HA GLN A 99 0.469 6.680 -16.340 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -0.201 7.561 -18.563 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.445 7.747 -17.343 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -0.319 10.135 -16.977 1.00 0.00 H new ATOM 0 HG3 GLN A 99 0.319 9.867 -18.587 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.624 9.971 -16.631 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.741 10.426 -17.921 1.00 0.00 H new ATOM 795 N ASN A 100 2.569 9.079 -16.490 1.00 0.00 N ATOM 796 CA ASN A 100 3.925 9.458 -16.851 1.00 0.00 C ATOM 797 C ASN A 100 4.916 8.588 -16.075 1.00 0.00 C ATOM 798 O ASN A 100 6.006 8.297 -16.564 1.00 0.00 O ATOM 799 CB ASN A 100 4.200 10.920 -16.497 1.00 0.00 C ATOM 800 CG ASN A 100 4.615 11.715 -17.737 1.00 0.00 C ATOM 801 OD1 ASN A 100 5.040 11.170 -18.742 1.00 0.00 O ATOM 802 ND2 ASN A 100 4.468 13.032 -17.609 1.00 0.00 N ATOM 0 H ASN A 100 2.124 9.688 -15.804 1.00 0.00 H new ATOM 0 HA ASN A 100 4.040 9.320 -17.926 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.308 11.365 -16.057 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.988 10.974 -15.745 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.717 13.650 -18.381 1.00 0.00 H new ATOM 0 HD22 ASN A 100 4.106 13.423 -16.739 1.00 0.00 H new ATOM 803 N SER A 101 4.501 8.198 -14.879 1.00 0.00 N ATOM 804 CA SER A 101 5.339 7.367 -14.031 1.00 0.00 C ATOM 805 C SER A 101 5.043 5.888 -14.289 1.00 0.00 C ATOM 806 O SER A 101 5.949 5.114 -14.594 1.00 0.00 O ATOM 807 CB SER A 101 5.128 7.701 -12.553 1.00 0.00 C ATOM 808 OG SER A 101 3.745 7.780 -12.216 1.00 0.00 O ATOM 0 H SER A 101 3.596 8.442 -14.477 1.00 0.00 H new ATOM 0 HA SER A 101 6.381 7.569 -14.277 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.608 6.941 -11.937 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.612 8.650 -12.323 1.00 0.00 H new ATOM 0 HG SER A 101 3.376 8.626 -12.546 1.00 0.00 H new ATOM 809 N LEU A 102 3.771 5.541 -14.158 1.00 0.00 N ATOM 810 CA LEU A 102 3.344 4.169 -14.374 1.00 0.00 C ATOM 811 C LEU A 102 3.959 3.646 -15.674 1.00 0.00 C ATOM 812 O LEU A 102 4.286 2.465 -15.780 1.00 0.00 O ATOM 813 CB LEU A 102 1.818 4.069 -14.333 1.00 0.00 C ATOM 814 CG LEU A 102 1.200 3.814 -12.956 1.00 0.00 C ATOM 815 CD1 LEU A 102 0.042 4.778 -12.688 1.00 0.00 C ATOM 816 CD2 LEU A 102 0.773 2.352 -12.810 1.00 0.00 C ATOM 0 H LEU A 102 3.022 6.186 -13.905 1.00 0.00 H new ATOM 0 HA LEU A 102 3.704 3.528 -13.569 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.402 4.995 -14.730 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.508 3.267 -15.003 1.00 0.00 H new ATOM 0 HG LEU A 102 1.961 4.005 -12.199 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.379 4.576 -11.703 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.408 5.804 -12.722 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.728 4.642 -13.447 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.337 2.197 -11.823 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.035 2.110 -13.575 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.643 1.705 -12.928 1.00 0.00 H new ATOM 817 N GLU A 103 4.097 4.551 -16.632 1.00 0.00 N ATOM 818 CA GLU A 103 4.667 4.197 -17.921 1.00 0.00 C ATOM 819 C GLU A 103 6.129 3.775 -17.756 1.00 0.00 C ATOM 820 O GLU A 103 6.784 3.403 -18.728 1.00 0.00 O ATOM 821 CB GLU A 103 4.539 5.353 -18.914 1.00 0.00 C ATOM 822 CG GLU A 103 3.349 5.141 -19.852 1.00 0.00 C ATOM 823 CD GLU A 103 3.818 4.952 -21.296 1.00 0.00 C ATOM 824 OE1 GLU A 103 4.465 3.914 -21.551 1.00 0.00 O ATOM 825 OE2 GLU A 103 3.517 5.849 -22.113 1.00 0.00 O ATOM 0 H GLU A 103 3.824 5.529 -16.541 1.00 0.00 H new ATOM 0 HA GLU A 103 4.108 3.353 -18.324 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.417 6.291 -18.372 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.456 5.439 -19.497 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.781 4.267 -19.533 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.677 5.997 -19.793 1.00 0.00 H new ATOM 826 N HIS A 104 6.597 3.845 -16.519 1.00 0.00 N ATOM 827 CA HIS A 104 7.968 3.473 -16.215 1.00 0.00 C ATOM 828 C HIS A 104 8.002 2.641 -14.932 1.00 0.00 C ATOM 829 O HIS A 104 8.193 1.428 -14.980 1.00 0.00 O ATOM 830 CB HIS A 104 8.862 4.713 -16.142 1.00 0.00 C ATOM 831 CG HIS A 104 10.186 4.476 -15.454 1.00 0.00 C ATOM 832 ND1 HIS A 104 11.150 5.460 -15.322 1.00 0.00 N ATOM 833 CD2 HIS A 104 10.694 3.357 -14.861 1.00 0.00 C ATOM 834 CE1 HIS A 104 12.187 4.946 -14.679 1.00 0.00 C ATOM 835 NE2 HIS A 104 11.904 3.643 -14.394 1.00 0.00 N ATOM 0 H HIS A 104 6.051 4.154 -15.715 1.00 0.00 H new ATOM 0 HA HIS A 104 8.368 2.854 -17.018 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.049 5.073 -17.154 1.00 0.00 H new ATOM 0 HB3 HIS A 104 8.327 5.504 -15.616 1.00 0.00 H new ATOM 0 HD1 HIS A 104 11.074 6.419 -15.662 1.00 0.00 H new ATOM 0 HD2 HIS A 104 10.197 2.401 -14.784 1.00 0.00 H new ATOM 0 HE1 HIS A 104 13.098 5.468 -14.425 1.00 0.00 H new ATOM 836 N VAL A 105 7.815 3.328 -13.814 1.00 0.00 N ATOM 837 CA VAL A 105 7.822 2.667 -12.520 1.00 0.00 C ATOM 838 C VAL A 105 7.051 1.350 -12.621 1.00 0.00 C ATOM 839 O VAL A 105 7.470 0.336 -12.064 1.00 0.00 O ATOM 840 CB VAL A 105 7.264 3.607 -11.449 1.00 0.00 C ATOM 841 CG1 VAL A 105 5.736 3.676 -11.523 1.00 0.00 C ATOM 842 CG2 VAL A 105 7.726 3.184 -10.054 1.00 0.00 C ATOM 0 H VAL A 105 7.658 4.335 -13.778 1.00 0.00 H new ATOM 0 HA VAL A 105 8.842 2.424 -12.220 1.00 0.00 H new ATOM 0 HB VAL A 105 7.655 4.606 -11.643 1.00 0.00 H new ATOM 0 HG11 VAL A 105 5.364 4.350 -10.752 1.00 0.00 H new ATOM 0 HG12 VAL A 105 5.436 4.045 -12.503 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.319 2.681 -11.367 1.00 0.00 H new ATOM 0 HG21 VAL A 105 7.315 3.868 -9.312 1.00 0.00 H new ATOM 0 HG22 VAL A 105 7.378 2.172 -9.847 1.00 0.00 H new ATOM 0 HG23 VAL A 105 8.815 3.209 -10.008 1.00 0.00 H new ATOM 843 N LEU A 106 5.936 1.406 -13.335 1.00 0.00 N ATOM 844 CA LEU A 106 5.103 0.230 -13.515 1.00 0.00 C ATOM 845 C LEU A 106 5.756 -0.701 -14.538 1.00 0.00 C ATOM 846 O LEU A 106 5.762 -1.918 -14.361 1.00 0.00 O ATOM 847 CB LEU A 106 3.674 0.638 -13.880 1.00 0.00 C ATOM 848 CG LEU A 106 3.147 0.113 -15.218 1.00 0.00 C ATOM 849 CD1 LEU A 106 2.787 -1.372 -15.122 1.00 0.00 C ATOM 850 CD2 LEU A 106 1.970 0.957 -15.712 1.00 0.00 C ATOM 0 H LEU A 106 5.590 2.248 -13.796 1.00 0.00 H new ATOM 0 HA LEU A 106 5.024 -0.327 -12.582 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.006 0.295 -13.090 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.620 1.727 -13.893 1.00 0.00 H new ATOM 0 HG LEU A 106 3.942 0.204 -15.958 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.415 -1.719 -16.086 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.673 -1.944 -14.847 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.016 -1.511 -14.364 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.614 0.563 -16.664 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.163 0.920 -14.980 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.293 1.990 -15.844 1.00 0.00 H new ATOM 851 N LYS A 107 6.291 -0.093 -15.587 1.00 0.00 N ATOM 852 CA LYS A 107 6.947 -0.852 -16.639 1.00 0.00 C ATOM 853 C LYS A 107 7.994 -1.779 -16.016 1.00 0.00 C ATOM 854 O LYS A 107 8.253 -2.864 -16.534 1.00 0.00 O ATOM 855 CB LYS A 107 7.513 0.087 -17.704 1.00 0.00 C ATOM 856 CG LYS A 107 8.387 -0.678 -18.701 1.00 0.00 C ATOM 857 CD LYS A 107 9.859 -0.635 -18.284 1.00 0.00 C ATOM 858 CE LYS A 107 10.637 -1.798 -18.903 1.00 0.00 C ATOM 859 NZ LYS A 107 11.037 -2.767 -17.859 1.00 0.00 N ATOM 0 H LYS A 107 6.284 0.917 -15.731 1.00 0.00 H new ATOM 0 HA LYS A 107 6.227 -1.486 -17.157 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.696 0.578 -18.233 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.100 0.872 -17.227 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.053 -1.714 -18.763 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.274 -0.246 -19.695 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.302 0.311 -18.596 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.935 -0.679 -17.198 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.023 -2.296 -19.653 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.522 -1.420 -19.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 11.348 -3.652 -18.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.818 -2.370 -17.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.227 -2.961 -17.237 1.00 0.00 H new ATOM 860 N ILE A 108 8.565 -1.317 -14.914 1.00 0.00 N ATOM 861 CA ILE A 108 9.578 -2.090 -14.215 1.00 0.00 C ATOM 862 C ILE A 108 8.895 -3.124 -13.318 1.00 0.00 C ATOM 863 O ILE A 108 9.323 -4.276 -13.254 1.00 0.00 O ATOM 864 CB ILE A 108 10.537 -1.164 -13.466 1.00 0.00 C ATOM 865 CG1 ILE A 108 11.011 -0.021 -14.365 1.00 0.00 C ATOM 866 CG2 ILE A 108 11.709 -1.950 -12.874 1.00 0.00 C ATOM 867 CD1 ILE A 108 11.861 0.980 -13.580 1.00 0.00 C ATOM 0 H ILE A 108 8.346 -0.417 -14.487 1.00 0.00 H new ATOM 0 HA ILE A 108 10.194 -2.641 -14.925 1.00 0.00 H new ATOM 0 HB ILE A 108 9.996 -0.715 -12.633 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.591 -0.424 -15.195 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.149 0.488 -14.796 1.00 0.00 H new ATOM 0 HG21 ILE A 108 12.376 -1.267 -12.347 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.331 -2.698 -12.177 1.00 0.00 H new ATOM 0 HG23 ILE A 108 12.257 -2.445 -13.676 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.184 1.782 -14.244 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.270 1.399 -12.766 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.735 0.473 -13.171 1.00 0.00 H new ATOM 868 N ALA A 109 7.845 -2.676 -12.647 1.00 0.00 N ATOM 869 CA ALA A 109 7.098 -3.548 -11.756 1.00 0.00 C ATOM 870 C ALA A 109 7.014 -4.947 -12.370 1.00 0.00 C ATOM 871 O ALA A 109 6.982 -5.944 -11.651 1.00 0.00 O ATOM 872 CB ALA A 109 5.718 -2.945 -11.488 1.00 0.00 C ATOM 0 H ALA A 109 7.493 -1.720 -12.702 1.00 0.00 H new ATOM 0 HA ALA A 109 7.605 -3.639 -10.796 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.158 -3.600 -10.820 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.833 -1.965 -11.024 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.178 -2.840 -12.429 1.00 0.00 H new ATOM 873 N LYS A 110 6.980 -4.975 -13.695 1.00 0.00 N ATOM 874 CA LYS A 110 6.901 -6.235 -14.415 1.00 0.00 C ATOM 875 C LYS A 110 5.432 -6.642 -14.559 1.00 0.00 C ATOM 876 O LYS A 110 5.132 -7.791 -14.881 1.00 0.00 O ATOM 877 CB LYS A 110 7.768 -7.296 -13.736 1.00 0.00 C ATOM 878 CG LYS A 110 8.134 -8.414 -14.714 1.00 0.00 C ATOM 879 CD LYS A 110 8.680 -9.635 -13.972 1.00 0.00 C ATOM 880 CE LYS A 110 8.585 -10.892 -14.840 1.00 0.00 C ATOM 881 NZ LYS A 110 9.500 -11.940 -14.336 1.00 0.00 N ATOM 0 H LYS A 110 7.006 -4.146 -14.288 1.00 0.00 H new ATOM 0 HA LYS A 110 7.304 -6.125 -15.422 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.677 -6.835 -13.349 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.235 -7.715 -12.883 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.255 -8.699 -15.292 1.00 0.00 H new ATOM 0 HG3 LYS A 110 8.878 -8.052 -15.423 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.719 -9.460 -13.691 1.00 0.00 H new ATOM 0 HD3 LYS A 110 8.121 -9.784 -13.048 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.561 -11.265 -14.840 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.835 -10.648 -15.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.423 -12.786 -14.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.478 -11.587 -14.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 9.243 -12.185 -13.358 1.00 0.00 H new ATOM 882 N VAL A 111 4.557 -5.678 -14.315 1.00 0.00 N ATOM 883 CA VAL A 111 3.128 -5.922 -14.414 1.00 0.00 C ATOM 884 C VAL A 111 2.655 -5.585 -15.829 1.00 0.00 C ATOM 885 O VAL A 111 1.504 -5.197 -16.028 1.00 0.00 O ATOM 886 CB VAL A 111 2.386 -5.135 -13.332 1.00 0.00 C ATOM 887 CG1 VAL A 111 3.006 -5.379 -11.955 1.00 0.00 C ATOM 888 CG2 VAL A 111 2.358 -3.641 -13.663 1.00 0.00 C ATOM 0 H VAL A 111 4.810 -4.726 -14.049 1.00 0.00 H new ATOM 0 HA VAL A 111 2.907 -6.975 -14.239 1.00 0.00 H new ATOM 0 HB VAL A 111 1.356 -5.492 -13.304 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.460 -4.808 -11.204 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.951 -6.441 -11.714 1.00 0.00 H new ATOM 0 HG13 VAL A 111 4.049 -5.062 -11.964 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.825 -3.104 -12.878 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.379 -3.264 -13.731 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.851 -3.489 -14.616 1.00 0.00 H new ATOM 889 N PHE A 112 3.566 -5.744 -16.778 1.00 0.00 N ATOM 890 CA PHE A 112 3.256 -5.461 -18.169 1.00 0.00 C ATOM 891 C PHE A 112 3.820 -6.547 -19.088 1.00 0.00 C ATOM 892 O PHE A 112 5.021 -6.810 -19.080 1.00 0.00 O ATOM 893 CB PHE A 112 3.919 -4.125 -18.512 1.00 0.00 C ATOM 894 CG PHE A 112 2.941 -2.952 -18.603 1.00 0.00 C ATOM 895 CD1 PHE A 112 1.695 -3.142 -19.115 1.00 0.00 C ATOM 896 CD2 PHE A 112 3.316 -1.719 -18.170 1.00 0.00 C ATOM 897 CE1 PHE A 112 0.788 -2.053 -19.199 1.00 0.00 C ATOM 898 CE2 PHE A 112 2.410 -0.629 -18.254 1.00 0.00 C ATOM 899 CZ PHE A 112 1.164 -0.819 -18.768 1.00 0.00 C ATOM 0 H PHE A 112 4.519 -6.065 -16.611 1.00 0.00 H new ATOM 0 HA PHE A 112 2.176 -5.428 -18.310 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.672 -3.900 -17.756 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.442 -4.224 -19.463 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.396 -4.122 -19.458 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.304 -1.568 -17.762 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.201 -2.205 -19.605 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.709 0.350 -17.910 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.474 0.010 -18.834 1.00 0.00 H new ATOM 900 N ASN A 113 2.926 -7.148 -19.859 1.00 0.00 N ATOM 901 CA ASN A 113 3.319 -8.199 -20.783 1.00 0.00 C ATOM 902 C ASN A 113 3.905 -7.568 -22.047 1.00 0.00 C ATOM 903 O ASN A 113 4.976 -7.966 -22.504 1.00 0.00 O ATOM 904 CB ASN A 113 2.116 -9.051 -21.192 1.00 0.00 C ATOM 905 CG ASN A 113 1.013 -8.183 -21.801 1.00 0.00 C ATOM 906 OD1 ASN A 113 0.011 -7.918 -20.968 1.00 0.00 O flip ATOM 907 ND2 ASN A 113 1.068 -7.782 -22.952 1.00 0.00 N flip ATOM 0 H ASN A 113 1.930 -6.927 -19.863 1.00 0.00 H new ATOM 0 HA ASN A 113 4.054 -8.830 -20.283 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.429 -9.807 -21.912 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.728 -9.581 -20.322 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.867 -8.023 -23.538 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.315 -7.206 -23.328 1.00 0.00 H new