USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 597 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 109 LYS NZ :NH3+ -176:sc= 2 (180deg=1.12) USER MOD Set 1.2: A 127 GLN : amide:sc= 1.92 K(o=3.9,f=-4.4) USER MOD Set 2.1: A 92 GLN : amide:sc= 0.747 K(o=1.6,f=-2.7!) USER MOD Set 2.2: A 95 CYS SG : rot 124:sc= 0.845 USER MOD Set 3.1: A 77 SER OG : rot 110:sc= 1.33 USER MOD Set 3.2: A 115 ASN : amide:sc= 0.38 X(o=1.7,f=1.2) USER MOD Set 4.1: A 55 SER OG : rot 180:sc= 0.0645 USER MOD Set 4.2: A 57 THR OG1 : rot 180:sc= 0.473 USER MOD Single : A 56 ASN : amide:sc= -0.403 X(o=-0.4,f=-0.27) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 65 LYS NZ :NH3+ 143:sc= 0.782 (180deg=-0.0834) USER MOD Single : A 66 GLN : amide:sc= 1.02 K(o=1,f=-4.7!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 71 ASN : amide:sc= -0.539 K(o=-0.54,f=-3.9!) USER MOD Single : A 79 HIS : no HD1:sc= -4.82 X(o=-4.8,f=-4.8) USER MOD Single : A 81 CYS SG : rot -36:sc= -0.587 USER MOD Single : A 83 MET CE :methyl -163:sc= -0.462 (180deg=-0.978) USER MOD Single : A 84 LYS NZ :NH3+ 157:sc= -0.634 (180deg=-2.13!) USER MOD Single : A 87 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0594) USER MOD Single : A 96 CYS SG : rot 118:sc= 1.01 USER MOD Single : A 103 HIS : +bothHN:sc= 1.6 K(o=1.6,f=-12!) USER MOD Single : A 105 HIS :FLIP no HE2:sc= -4.53! C(o=-6.1!,f=-4.5!) USER MOD Single : A 106 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0537) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -150:sc= -1.39 USER MOD Single : A 120 SER OG : rot -35:sc= 0.325 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.928 7.755 2.709 1.00 0.00 N ATOM 2 CA SER A 55 -12.733 7.250 1.348 1.00 0.00 C ATOM 3 C SER A 55 -12.880 5.760 1.319 1.00 0.00 C ATOM 4 O SER A 55 -13.275 5.136 2.304 1.00 0.00 O ATOM 5 CB SER A 55 -11.323 7.608 0.840 1.00 0.00 C ATOM 6 OG SER A 55 -11.283 7.565 -0.583 1.00 0.00 O ATOM 0 HA SER A 55 -13.486 7.710 0.709 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.046 8.603 1.188 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.593 6.911 1.252 1.00 0.00 H new ATOM 0 HG SER A 55 -10.382 7.796 -0.892 1.00 0.00 H new ATOM 14 N ASN A 56 -12.563 5.162 0.159 1.00 0.00 N ATOM 15 CA ASN A 56 -12.533 3.734 0.043 1.00 0.00 C ATOM 16 C ASN A 56 -11.495 3.423 -0.993 1.00 0.00 C ATOM 17 O ASN A 56 -11.424 2.319 -1.530 1.00 0.00 O ATOM 18 CB ASN A 56 -13.905 3.157 -0.350 1.00 0.00 C ATOM 19 CG ASN A 56 -13.874 1.643 -0.180 1.00 0.00 C ATOM 20 OD1 ASN A 56 -13.995 0.891 -1.149 1.00 0.00 O ATOM 21 ND2 ASN A 56 -13.766 1.174 1.083 1.00 0.00 N ATOM 0 H ASN A 56 -12.328 5.663 -0.698 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.290 3.275 1.001 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.688 3.590 0.273 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.140 3.415 -1.383 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.783 0.169 1.257 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.667 1.825 1.862 1.00 0.00 H new ATOM 28 N THR A 57 -10.601 4.400 -1.240 1.00 0.00 N ATOM 29 CA THR A 57 -9.615 4.250 -2.267 1.00 0.00 C ATOM 30 C THR A 57 -8.305 4.689 -1.689 1.00 0.00 C ATOM 31 O THR A 57 -8.259 5.570 -0.829 1.00 0.00 O ATOM 32 CB THR A 57 -9.918 5.090 -3.522 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.750 6.476 -3.250 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.368 4.968 -4.003 1.00 0.00 C ATOM 0 H THR A 57 -10.561 5.285 -0.734 1.00 0.00 H new ATOM 0 HA THR A 57 -9.603 3.208 -2.586 1.00 0.00 H new ATOM 0 HB THR A 57 -9.230 4.709 -4.277 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.945 6.994 -4.059 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.510 5.586 -4.890 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.584 3.928 -4.247 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.042 5.304 -3.215 1.00 0.00 H new ATOM 42 N ILE A 58 -7.209 4.041 -2.127 1.00 0.00 N ATOM 43 CA ILE A 58 -5.896 4.481 -1.751 1.00 0.00 C ATOM 44 C ILE A 58 -5.018 4.226 -2.931 1.00 0.00 C ATOM 45 O ILE A 58 -5.371 3.456 -3.824 1.00 0.00 O ATOM 46 CB ILE A 58 -5.294 3.771 -0.523 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.332 3.057 0.354 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.426 4.699 0.342 1.00 0.00 C ATOM 49 CD1 ILE A 58 -6.699 1.654 -0.145 1.00 0.00 C ATOM 0 H ILE A 58 -7.228 3.222 -2.734 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.967 5.530 -1.465 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.651 3.004 -0.955 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.946 2.982 1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.236 3.665 0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.031 4.141 1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.600 5.085 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.031 5.530 0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.437 1.211 0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.115 1.723 -1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.806 1.029 -0.164 1.00 0.00 H new ATOM 61 N ARG A 59 -3.844 4.889 -2.992 1.00 0.00 N ATOM 62 CA ARG A 59 -3.036 4.766 -4.164 1.00 0.00 C ATOM 63 C ARG A 59 -1.892 3.881 -3.831 1.00 0.00 C ATOM 64 O ARG A 59 -1.488 3.789 -2.677 1.00 0.00 O ATOM 65 CB ARG A 59 -2.487 6.107 -4.628 1.00 0.00 C ATOM 66 CG ARG A 59 -3.572 7.045 -5.154 1.00 0.00 C ATOM 67 CD ARG A 59 -4.083 8.046 -4.111 1.00 0.00 C ATOM 68 NE ARG A 59 -5.524 7.742 -3.861 1.00 0.00 N ATOM 69 CZ ARG A 59 -6.286 8.583 -3.107 1.00 0.00 C ATOM 70 NH1 ARG A 59 -5.783 9.746 -2.649 1.00 0.00 N ATOM 71 NH2 ARG A 59 -7.576 8.277 -2.841 1.00 0.00 N ATOM 0 H ARG A 59 -3.467 5.488 -2.258 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.651 4.363 -4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.969 6.588 -3.798 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.748 5.940 -5.411 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.181 7.594 -6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.411 6.449 -5.514 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.509 7.964 -3.188 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.964 9.068 -4.471 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.940 6.899 -4.257 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.821 10.006 -2.866 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.364 10.366 -2.086 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.981 7.415 -3.205 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.144 8.909 -2.276 1.00 0.00 H new ATOM 85 N VAL A 60 -1.325 3.242 -4.869 1.00 0.00 N ATOM 86 CA VAL A 60 -0.197 2.383 -4.672 1.00 0.00 C ATOM 87 C VAL A 60 0.824 2.763 -5.691 1.00 0.00 C ATOM 88 O VAL A 60 0.626 2.564 -6.886 1.00 0.00 O ATOM 89 CB VAL A 60 -0.499 0.887 -4.825 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.605 -0.014 -4.256 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.847 0.475 -4.219 1.00 0.00 C ATOM 0 H VAL A 60 -1.642 3.318 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 60 0.139 2.518 -3.644 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.546 0.738 -5.904 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.330 -1.059 -4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.542 0.187 -4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.728 0.189 -3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.998 -0.595 -4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.852 0.703 -3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.650 1.024 -4.711 1.00 0.00 H new ATOM 101 N PHE A 61 1.954 3.308 -5.211 1.00 0.00 N ATOM 102 CA PHE A 61 3.011 3.726 -6.083 1.00 0.00 C ATOM 103 C PHE A 61 4.022 2.622 -6.083 1.00 0.00 C ATOM 104 O PHE A 61 4.277 1.999 -5.050 1.00 0.00 O ATOM 105 CB PHE A 61 3.707 4.990 -5.556 1.00 0.00 C ATOM 106 CG PHE A 61 2.877 6.178 -5.923 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.582 6.330 -5.447 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.446 7.253 -6.617 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.884 7.509 -5.641 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.768 8.450 -6.758 1.00 0.00 C ATOM 111 CZ PHE A 61 1.488 8.581 -6.257 1.00 0.00 C ATOM 0 H PHE A 61 2.138 3.460 -4.219 1.00 0.00 H new ATOM 0 HA PHE A 61 2.605 3.940 -7.072 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.828 4.932 -4.474 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.705 5.079 -5.984 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.112 5.515 -4.917 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.430 7.146 -7.049 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.140 7.588 -5.307 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.239 9.282 -7.260 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.963 9.521 -6.348 1.00 0.00 H new ATOM 121 N LEU A 62 4.647 2.339 -7.247 1.00 0.00 N ATOM 122 CA LEU A 62 5.577 1.248 -7.291 1.00 0.00 C ATOM 123 C LEU A 62 6.915 1.785 -6.861 1.00 0.00 C ATOM 124 O LEU A 62 7.115 2.997 -6.768 1.00 0.00 O ATOM 125 CB LEU A 62 5.687 0.561 -8.659 1.00 0.00 C ATOM 126 CG LEU A 62 4.548 -0.422 -8.947 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.704 -1.765 -8.226 1.00 0.00 C ATOM 128 CD2 LEU A 62 3.168 0.167 -8.662 1.00 0.00 C ATOM 0 H LEU A 62 4.516 2.843 -8.124 1.00 0.00 H new ATOM 0 HA LEU A 62 5.213 0.468 -6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.703 1.323 -9.438 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.637 0.029 -8.713 1.00 0.00 H new ATOM 0 HG LEU A 62 4.622 -0.613 -10.018 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.863 -2.412 -8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.633 -2.241 -8.540 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.727 -1.599 -7.149 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.402 -0.576 -8.885 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.103 0.451 -7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.012 1.047 -9.286 1.00 0.00 H new ATOM 140 N PRO A 63 7.815 0.837 -6.628 1.00 0.00 N ATOM 141 CA PRO A 63 9.030 1.379 -6.061 1.00 0.00 C ATOM 142 C PRO A 63 9.820 1.891 -7.234 1.00 0.00 C ATOM 143 O PRO A 63 10.538 1.138 -7.890 1.00 0.00 O ATOM 144 CB PRO A 63 9.731 0.197 -5.436 1.00 0.00 C ATOM 145 CG PRO A 63 8.653 -0.854 -5.192 1.00 0.00 C ATOM 146 CD PRO A 63 7.395 -0.345 -5.896 1.00 0.00 C ATOM 0 HA PRO A 63 8.885 2.171 -5.326 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.509 -0.188 -6.096 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.217 0.481 -4.502 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.957 -1.823 -5.589 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.475 -0.989 -4.125 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.988 -1.100 -6.569 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.612 -0.104 -5.177 1.00 0.00 H new ATOM 154 N ASN A 64 9.702 3.213 -7.495 1.00 0.00 N ATOM 155 CA ASN A 64 10.528 3.875 -8.468 1.00 0.00 C ATOM 156 C ASN A 64 10.008 3.540 -9.838 1.00 0.00 C ATOM 157 O ASN A 64 10.720 3.680 -10.831 1.00 0.00 O ATOM 158 CB ASN A 64 12.038 3.575 -8.392 1.00 0.00 C ATOM 159 CG ASN A 64 12.533 3.966 -7.005 1.00 0.00 C ATOM 160 OD1 ASN A 64 12.476 5.132 -6.615 1.00 0.00 O ATOM 161 ND2 ASN A 64 13.025 2.963 -6.231 1.00 0.00 N ATOM 0 H ASN A 64 9.031 3.825 -7.030 1.00 0.00 H new ATOM 0 HA ASN A 64 10.456 4.939 -8.243 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.225 2.517 -8.578 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.575 4.133 -9.159 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.364 3.164 -5.290 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.055 2.009 -6.591 1.00 0.00 H new ATOM 168 N LYS A 65 8.726 3.134 -9.926 1.00 0.00 N ATOM 169 CA LYS A 65 8.168 2.785 -11.200 1.00 0.00 C ATOM 170 C LYS A 65 6.899 3.566 -11.377 1.00 0.00 C ATOM 171 O LYS A 65 6.900 4.630 -11.994 1.00 0.00 O ATOM 172 CB LYS A 65 7.889 1.280 -11.387 1.00 0.00 C ATOM 173 CG LYS A 65 8.977 0.371 -10.801 1.00 0.00 C ATOM 174 CD LYS A 65 10.270 0.351 -11.623 1.00 0.00 C ATOM 175 CE LYS A 65 11.543 0.325 -10.770 1.00 0.00 C ATOM 176 NZ LYS A 65 11.474 -0.756 -9.793 1.00 0.00 N ATOM 0 H LYS A 65 8.088 3.048 -9.135 1.00 0.00 H new ATOM 0 HA LYS A 65 8.912 3.032 -11.957 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.935 1.036 -10.920 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.786 1.069 -12.451 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.206 0.700 -9.787 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.588 -0.645 -10.726 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.262 -0.523 -12.275 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.293 1.229 -12.268 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.415 0.191 -11.410 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.666 1.280 -10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.417 -1.180 -9.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.149 -0.378 -8.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.807 -1.482 -10.125 1.00 0.00 H new ATOM 190 N GLN A 66 5.772 3.043 -10.848 1.00 0.00 N ATOM 191 CA GLN A 66 4.492 3.491 -11.308 1.00 0.00 C ATOM 192 C GLN A 66 3.629 3.796 -10.138 1.00 0.00 C ATOM 193 O GLN A 66 4.109 4.057 -9.044 1.00 0.00 O ATOM 194 CB GLN A 66 3.798 2.393 -12.127 1.00 0.00 C ATOM 195 CG GLN A 66 3.793 2.668 -13.627 1.00 0.00 C ATOM 196 CD GLN A 66 2.350 2.869 -14.064 1.00 0.00 C ATOM 197 OE1 GLN A 66 1.657 1.918 -14.430 1.00 0.00 O ATOM 198 NE2 GLN A 66 1.846 4.119 -13.924 1.00 0.00 N ATOM 0 H GLN A 66 5.747 2.328 -10.121 1.00 0.00 H new ATOM 0 HA GLN A 66 4.642 4.376 -11.927 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.296 1.442 -11.941 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.770 2.287 -11.781 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.387 3.554 -13.854 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.243 1.836 -14.168 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.451 4.881 -13.619 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.862 4.297 -14.124 1.00 0.00 H new ATOM 207 N ARG A 67 2.329 3.983 -10.436 1.00 0.00 N ATOM 208 CA ARG A 67 1.363 4.252 -9.421 1.00 0.00 C ATOM 209 C ARG A 67 0.038 3.827 -9.959 1.00 0.00 C ATOM 210 O ARG A 67 -0.112 3.602 -11.160 1.00 0.00 O ATOM 211 CB ARG A 67 1.283 5.728 -9.031 1.00 0.00 C ATOM 212 CG ARG A 67 1.211 6.682 -10.227 1.00 0.00 C ATOM 213 CD ARG A 67 2.504 7.470 -10.451 1.00 0.00 C ATOM 214 NE ARG A 67 2.229 8.498 -11.497 1.00 0.00 N ATOM 215 CZ ARG A 67 3.139 9.474 -11.762 1.00 0.00 C ATOM 216 NH1 ARG A 67 4.269 9.580 -11.034 1.00 0.00 N ATOM 217 NH2 ARG A 67 2.897 10.374 -12.741 1.00 0.00 N ATOM 0 H ARG A 67 1.949 3.947 -11.382 1.00 0.00 H new ATOM 0 HA ARG A 67 1.653 3.710 -8.521 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.405 5.881 -8.403 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.154 5.982 -8.428 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.982 6.110 -11.126 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.389 7.381 -10.076 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.829 7.943 -9.525 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.307 6.806 -10.769 1.00 0.00 H new ATOM 0 HE ARG A 67 1.352 8.469 -12.017 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.450 8.924 -10.274 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.943 10.316 -11.243 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.033 10.321 -13.280 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.579 11.106 -12.941 1.00 0.00 H new ATOM 231 N THR A 68 -0.948 3.690 -9.056 1.00 0.00 N ATOM 232 CA THR A 68 -2.265 3.293 -9.454 1.00 0.00 C ATOM 233 C THR A 68 -3.145 3.487 -8.260 1.00 0.00 C ATOM 234 O THR A 68 -2.662 3.827 -7.181 1.00 0.00 O ATOM 235 CB THR A 68 -2.355 1.833 -9.938 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.628 1.581 -10.517 1.00 0.00 O ATOM 237 CG2 THR A 68 -2.055 0.789 -8.851 1.00 0.00 C ATOM 0 H THR A 68 -0.836 3.853 -8.055 1.00 0.00 H new ATOM 0 HA THR A 68 -2.571 3.898 -10.307 1.00 0.00 H new ATOM 0 HB THR A 68 -1.571 1.722 -10.687 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.670 0.650 -10.822 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.140 -0.212 -9.274 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.044 0.938 -8.472 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.768 0.899 -8.034 1.00 0.00 H new ATOM 245 N VAL A 69 -4.465 3.286 -8.436 1.00 0.00 N ATOM 246 CA VAL A 69 -5.371 3.421 -7.336 1.00 0.00 C ATOM 247 C VAL A 69 -5.994 2.086 -7.109 1.00 0.00 C ATOM 248 O VAL A 69 -6.232 1.326 -8.047 1.00 0.00 O ATOM 249 CB VAL A 69 -6.469 4.473 -7.553 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.118 4.408 -8.941 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.531 4.516 -6.436 1.00 0.00 C ATOM 0 H VAL A 69 -4.899 3.034 -9.324 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.802 3.768 -6.474 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.931 5.420 -7.500 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.883 5.180 -9.021 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.358 4.569 -9.706 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.574 3.428 -9.084 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.269 5.285 -6.665 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.025 3.547 -6.367 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.050 4.747 -5.485 1.00 0.00 H new ATOM 261 N VAL A 70 -6.259 1.776 -5.829 1.00 0.00 N ATOM 262 CA VAL A 70 -6.850 0.520 -5.485 1.00 0.00 C ATOM 263 C VAL A 70 -7.925 0.797 -4.486 1.00 0.00 C ATOM 264 O VAL A 70 -7.901 1.817 -3.795 1.00 0.00 O ATOM 265 CB VAL A 70 -5.848 -0.469 -4.876 1.00 0.00 C ATOM 266 CG1 VAL A 70 -4.754 -0.897 -5.858 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.176 0.038 -3.587 1.00 0.00 C ATOM 0 H VAL A 70 -6.066 2.389 -5.037 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.232 0.058 -6.395 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.466 -1.331 -4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.077 -1.596 -5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.210 -1.380 -6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.195 -0.020 -6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.482 -0.717 -3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.632 0.959 -3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.938 0.231 -2.832 1.00 0.00 H new ATOM 277 N ASN A 71 -8.886 -0.139 -4.373 1.00 0.00 N ATOM 278 CA ASN A 71 -9.960 0.024 -3.438 1.00 0.00 C ATOM 279 C ASN A 71 -9.799 -1.045 -2.407 1.00 0.00 C ATOM 280 O ASN A 71 -9.352 -2.151 -2.710 1.00 0.00 O ATOM 281 CB ASN A 71 -11.351 -0.161 -4.070 1.00 0.00 C ATOM 282 CG ASN A 71 -11.586 0.969 -5.065 1.00 0.00 C ATOM 283 OD1 ASN A 71 -10.814 1.923 -5.152 1.00 0.00 O ATOM 284 ND2 ASN A 71 -12.701 0.874 -5.837 1.00 0.00 N ATOM 0 H ASN A 71 -8.921 -0.999 -4.921 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.910 1.038 -3.040 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.413 -1.126 -4.572 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.121 -0.153 -3.299 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.917 1.607 -6.513 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.321 0.070 -5.741 1.00 0.00 H new ATOM 291 N VAL A 72 -10.178 -0.736 -1.153 1.00 0.00 N ATOM 292 CA VAL A 72 -10.113 -1.723 -0.115 1.00 0.00 C ATOM 293 C VAL A 72 -11.508 -2.218 0.104 1.00 0.00 C ATOM 294 O VAL A 72 -12.474 -1.457 0.064 1.00 0.00 O ATOM 295 CB VAL A 72 -9.528 -1.195 1.207 1.00 0.00 C ATOM 296 CG1 VAL A 72 -10.507 -0.353 2.030 1.00 0.00 C ATOM 297 CG2 VAL A 72 -9.036 -2.295 2.155 1.00 0.00 C ATOM 0 H VAL A 72 -10.523 0.178 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.437 -2.516 -0.434 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.696 -0.587 0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.019 -0.019 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.819 0.514 1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.380 -0.954 2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.639 -1.842 3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.867 -2.953 2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.253 -2.874 1.665 1.00 0.00 H new ATOM 369 N SER A 77 -6.559 -6.710 3.747 1.00 0.00 N ATOM 370 CA SER A 77 -5.353 -6.431 4.461 1.00 0.00 C ATOM 371 C SER A 77 -4.381 -5.931 3.472 1.00 0.00 C ATOM 372 O SER A 77 -4.422 -6.367 2.354 1.00 0.00 O ATOM 373 CB SER A 77 -4.682 -7.710 4.930 1.00 0.00 C ATOM 374 OG SER A 77 -5.611 -8.541 5.612 1.00 0.00 O ATOM 0 HA SER A 77 -5.599 -5.763 5.286 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.267 -8.244 4.075 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.849 -7.469 5.590 1.00 0.00 H new ATOM 0 HG SER A 77 -5.804 -9.332 5.066 1.00 0.00 H new ATOM 380 N LEU A 78 -3.254 -5.380 3.958 1.00 0.00 N ATOM 381 CA LEU A 78 -2.198 -4.942 3.089 1.00 0.00 C ATOM 382 C LEU A 78 -1.802 -6.086 2.185 1.00 0.00 C ATOM 383 O LEU A 78 -1.849 -5.977 0.971 1.00 0.00 O ATOM 384 CB LEU A 78 -0.975 -4.517 3.902 1.00 0.00 C ATOM 385 CG LEU A 78 -0.823 -3.004 4.049 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.603 -2.280 2.754 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.108 -2.284 4.409 1.00 0.00 C ATOM 0 H LEU A 78 -3.071 -5.237 4.951 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.552 -4.092 2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.038 -4.964 4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.079 -4.918 3.428 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.014 -2.971 4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.505 -1.212 2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.308 -2.648 2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.451 -2.453 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.914 -1.215 4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.852 -2.457 3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.483 -2.662 5.360 1.00 0.00 H new ATOM 399 N HIS A 79 -1.522 -7.267 2.764 1.00 0.00 N ATOM 400 CA HIS A 79 -0.922 -8.335 2.007 1.00 0.00 C ATOM 401 C HIS A 79 -1.995 -9.036 1.207 1.00 0.00 C ATOM 402 O HIS A 79 -1.707 -9.960 0.458 1.00 0.00 O ATOM 403 CB HIS A 79 -0.287 -9.406 2.909 1.00 0.00 C ATOM 404 CG HIS A 79 1.210 -9.458 2.811 1.00 0.00 C ATOM 405 ND1 HIS A 79 1.876 -9.306 1.624 1.00 0.00 N ATOM 406 CD2 HIS A 79 2.144 -9.713 3.753 1.00 0.00 C ATOM 407 CE1 HIS A 79 3.175 -9.402 1.859 1.00 0.00 C ATOM 408 NE2 HIS A 79 3.363 -9.695 3.134 1.00 0.00 N ATOM 0 H HIS A 79 -1.706 -7.487 3.743 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.153 -7.884 1.379 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.569 -9.213 3.944 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.695 -10.382 2.644 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.962 -9.897 4.801 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.956 -9.263 1.126 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.262 -9.876 3.579 1.00 0.00 H new ATOM 417 N ASP A 80 -3.278 -8.690 1.417 1.00 0.00 N ATOM 418 CA ASP A 80 -4.329 -9.300 0.650 1.00 0.00 C ATOM 419 C ASP A 80 -4.835 -8.267 -0.314 1.00 0.00 C ATOM 420 O ASP A 80 -5.442 -8.590 -1.331 1.00 0.00 O ATOM 421 CB ASP A 80 -5.523 -9.714 1.523 1.00 0.00 C ATOM 422 CG ASP A 80 -5.031 -10.677 2.593 1.00 0.00 C ATOM 423 OD1 ASP A 80 -4.460 -11.735 2.222 1.00 0.00 O ATOM 424 OD2 ASP A 80 -5.259 -10.376 3.800 1.00 0.00 O ATOM 0 H ASP A 80 -3.588 -8.002 2.103 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.925 -10.189 0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.977 -8.837 1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.292 -10.187 0.912 1.00 0.00 H new ATOM 429 N CYS A 81 -4.558 -6.989 -0.002 1.00 0.00 N ATOM 430 CA CYS A 81 -5.161 -5.894 -0.700 1.00 0.00 C ATOM 431 C CYS A 81 -4.132 -5.359 -1.659 1.00 0.00 C ATOM 432 O CYS A 81 -4.456 -4.692 -2.640 1.00 0.00 O ATOM 433 CB CYS A 81 -5.562 -4.797 0.311 1.00 0.00 C ATOM 434 SG CYS A 81 -6.723 -3.626 -0.466 1.00 0.00 S ATOM 0 H CYS A 81 -3.913 -6.712 0.738 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.056 -6.213 -1.234 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -6.023 -5.251 1.188 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.674 -4.267 0.656 1.00 0.00 H new ATOM 0 HG CYS A 81 -6.403 -3.462 -1.715 1.00 0.00 H new ATOM 440 N LEU A 82 -2.855 -5.708 -1.411 1.00 0.00 N ATOM 441 CA LEU A 82 -1.771 -5.230 -2.225 1.00 0.00 C ATOM 442 C LEU A 82 -1.372 -6.344 -3.104 1.00 0.00 C ATOM 443 O LEU A 82 -0.958 -6.141 -4.231 1.00 0.00 O ATOM 444 CB LEU A 82 -0.529 -4.982 -1.379 1.00 0.00 C ATOM 445 CG LEU A 82 -0.609 -3.725 -0.521 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.395 -2.646 -0.939 1.00 0.00 C ATOM 447 CD2 LEU A 82 -2.000 -3.089 -0.488 1.00 0.00 C ATOM 0 H LEU A 82 -2.570 -6.321 -0.647 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.096 -4.325 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.365 -5.843 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.338 -4.907 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.362 -4.087 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.287 -1.777 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.408 -3.039 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.205 -2.353 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.979 -2.200 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.297 -2.810 -1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.717 -3.803 -0.083 1.00 0.00 H new ATOM 459 N MET A 83 -1.416 -7.559 -2.543 1.00 0.00 N ATOM 460 CA MET A 83 -1.140 -8.755 -3.282 1.00 0.00 C ATOM 461 C MET A 83 -2.150 -8.850 -4.378 1.00 0.00 C ATOM 462 O MET A 83 -1.942 -9.582 -5.327 1.00 0.00 O ATOM 463 CB MET A 83 -1.380 -9.885 -2.288 1.00 0.00 C ATOM 464 CG MET A 83 -1.579 -11.263 -2.911 1.00 0.00 C ATOM 465 SD MET A 83 0.034 -12.081 -3.132 1.00 0.00 S ATOM 466 CE MET A 83 0.478 -11.457 -4.784 1.00 0.00 C ATOM 0 H MET A 83 -1.646 -7.720 -1.562 1.00 0.00 H new ATOM 0 HA MET A 83 -0.136 -8.784 -3.706 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.533 -9.932 -1.603 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.259 -9.643 -1.691 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.221 -11.871 -2.273 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.083 -11.168 -3.873 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.271 -12.075 -5.205 1.00 0.00 H new ATOM 0 HE2 MET A 83 -0.396 -11.495 -5.434 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.825 -10.427 -4.703 1.00 0.00 H new ATOM 476 N LYS A 84 -3.239 -8.084 -4.234 1.00 0.00 N ATOM 477 CA LYS A 84 -4.242 -7.991 -5.236 1.00 0.00 C ATOM 478 C LYS A 84 -3.793 -6.959 -6.247 1.00 0.00 C ATOM 479 O LYS A 84 -4.038 -7.100 -7.441 1.00 0.00 O ATOM 480 CB LYS A 84 -5.463 -7.531 -4.458 1.00 0.00 C ATOM 481 CG LYS A 84 -6.495 -6.802 -5.293 1.00 0.00 C ATOM 482 CD LYS A 84 -6.254 -5.296 -5.384 1.00 0.00 C ATOM 483 CE LYS A 84 -6.845 -4.670 -6.647 1.00 0.00 C ATOM 484 NZ LYS A 84 -5.849 -4.654 -7.713 1.00 0.00 N ATOM 0 H LYS A 84 -3.425 -7.519 -3.406 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.441 -8.911 -5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.934 -8.399 -3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.139 -6.876 -3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.499 -7.222 -6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.484 -6.979 -4.869 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.686 -4.811 -4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.181 -5.103 -5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.721 -5.234 -6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.180 -3.654 -6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.328 -4.606 -8.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.232 -3.824 -7.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -5.276 -5.521 -7.666 1.00 0.00 H new ATOM 498 N ALA A 85 -3.117 -5.889 -5.779 1.00 0.00 N ATOM 499 CA ALA A 85 -2.657 -4.845 -6.666 1.00 0.00 C ATOM 500 C ALA A 85 -1.500 -5.371 -7.457 1.00 0.00 C ATOM 501 O ALA A 85 -1.483 -5.290 -8.676 1.00 0.00 O ATOM 502 CB ALA A 85 -2.102 -3.721 -5.763 1.00 0.00 C ATOM 0 H ALA A 85 -2.888 -5.742 -4.796 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.457 -4.505 -7.324 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.739 -2.902 -6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.893 -3.357 -5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.282 -4.110 -5.160 1.00 0.00 H new ATOM 508 N LEU A 86 -0.492 -5.904 -6.752 1.00 0.00 N ATOM 509 CA LEU A 86 0.775 -6.214 -7.349 1.00 0.00 C ATOM 510 C LEU A 86 0.621 -7.480 -8.077 1.00 0.00 C ATOM 511 O LEU A 86 1.432 -7.815 -8.923 1.00 0.00 O ATOM 512 CB LEU A 86 1.759 -6.469 -6.229 1.00 0.00 C ATOM 513 CG LEU A 86 1.860 -5.278 -5.283 1.00 0.00 C ATOM 514 CD1 LEU A 86 1.932 -5.666 -3.842 1.00 0.00 C ATOM 515 CD2 LEU A 86 2.713 -4.143 -5.830 1.00 0.00 C ATOM 0 H LEU A 86 -0.551 -6.124 -5.758 1.00 0.00 H new ATOM 0 HA LEU A 86 1.109 -5.408 -8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.452 -7.353 -5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.741 -6.683 -6.650 1.00 0.00 H new ATOM 0 HG LEU A 86 0.903 -4.757 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.002 -4.769 -3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.036 -6.223 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.811 -6.289 -3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.742 -3.328 -5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.726 -4.504 -6.011 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.283 -3.783 -6.765 1.00 0.00 H new ATOM 527 N LYS A 87 -0.418 -8.230 -7.703 1.00 0.00 N ATOM 528 CA LYS A 87 -0.796 -9.407 -8.438 1.00 0.00 C ATOM 529 C LYS A 87 -1.023 -9.002 -9.868 1.00 0.00 C ATOM 530 O LYS A 87 -0.518 -9.634 -10.793 1.00 0.00 O ATOM 531 CB LYS A 87 -2.163 -9.918 -7.975 1.00 0.00 C ATOM 532 CG LYS A 87 -2.186 -11.407 -7.653 1.00 0.00 C ATOM 533 CD LYS A 87 -2.904 -12.241 -8.719 1.00 0.00 C ATOM 534 CE LYS A 87 -2.879 -13.746 -8.440 1.00 0.00 C ATOM 535 NZ LYS A 87 -1.530 -14.269 -8.628 1.00 0.00 N ATOM 0 H LYS A 87 -1.004 -8.031 -6.892 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.018 -10.158 -8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.469 -9.360 -7.090 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.900 -9.712 -8.752 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.162 -11.766 -7.548 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.677 -11.557 -6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.940 -11.910 -8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.442 -12.052 -9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.214 -13.940 -7.421 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.572 -14.259 -9.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.546 -15.306 -8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.179 -13.995 -9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.901 -13.879 -7.897 1.00 0.00 H new ATOM 549 N VAL A 88 -1.820 -7.929 -10.030 1.00 0.00 N ATOM 550 CA VAL A 88 -2.206 -7.427 -11.320 1.00 0.00 C ATOM 551 C VAL A 88 -0.963 -6.988 -12.045 1.00 0.00 C ATOM 552 O VAL A 88 -0.869 -7.094 -13.267 1.00 0.00 O ATOM 553 CB VAL A 88 -3.082 -6.180 -11.118 1.00 0.00 C ATOM 554 CG1 VAL A 88 -3.442 -5.435 -12.403 1.00 0.00 C ATOM 555 CG2 VAL A 88 -4.308 -6.424 -10.243 1.00 0.00 C ATOM 0 H VAL A 88 -2.206 -7.397 -9.250 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.741 -8.195 -11.878 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.429 -5.507 -10.563 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.061 -4.571 -12.161 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.530 -5.101 -12.898 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.992 -6.101 -13.068 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.876 -5.499 -10.147 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.935 -7.189 -10.701 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.990 -6.759 -9.256 1.00 0.00 H new ATOM 565 N ARG A 89 0.017 -6.467 -11.287 1.00 0.00 N ATOM 566 CA ARG A 89 1.148 -5.819 -11.879 1.00 0.00 C ATOM 567 C ARG A 89 2.187 -6.864 -12.159 1.00 0.00 C ATOM 568 O ARG A 89 3.003 -6.718 -13.068 1.00 0.00 O ATOM 569 CB ARG A 89 1.674 -4.783 -10.895 1.00 0.00 C ATOM 570 CG ARG A 89 0.554 -3.918 -10.312 1.00 0.00 C ATOM 571 CD ARG A 89 0.799 -2.417 -10.443 1.00 0.00 C ATOM 572 NE ARG A 89 0.682 -2.066 -11.890 1.00 0.00 N ATOM 573 CZ ARG A 89 0.898 -0.789 -12.309 1.00 0.00 C ATOM 574 NH1 ARG A 89 1.097 0.204 -11.422 1.00 0.00 N ATOM 575 NH2 ARG A 89 0.804 -0.486 -13.622 1.00 0.00 N ATOM 0 H ARG A 89 0.028 -6.493 -10.267 1.00 0.00 H new ATOM 0 HA ARG A 89 0.883 -5.319 -12.811 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.200 -5.288 -10.085 1.00 0.00 H new ATOM 0 HB3 ARG A 89 2.401 -4.144 -11.397 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.382 -4.168 -10.811 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.429 -4.165 -9.258 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.073 -1.857 -9.853 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.787 -2.156 -10.064 1.00 0.00 H new ATOM 0 HE ARG A 89 0.439 -2.788 -12.568 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.087 0.004 -10.422 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.258 1.156 -11.750 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.571 -1.214 -14.298 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.966 0.470 -13.938 1.00 0.00 H new ATOM 589 N GLY A 90 2.175 -7.945 -11.359 1.00 0.00 N ATOM 590 CA GLY A 90 3.082 -9.040 -11.569 1.00 0.00 C ATOM 591 C GLY A 90 4.240 -8.851 -10.639 1.00 0.00 C ATOM 592 O GLY A 90 5.370 -9.210 -10.960 1.00 0.00 O ATOM 0 H GLY A 90 1.541 -8.065 -10.569 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.586 -9.991 -11.375 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.422 -9.063 -12.604 1.00 0.00 H new ATOM 596 N LEU A 91 3.971 -8.290 -9.444 1.00 0.00 N ATOM 597 CA LEU A 91 5.032 -7.963 -8.536 1.00 0.00 C ATOM 598 C LEU A 91 4.872 -8.837 -7.326 1.00 0.00 C ATOM 599 O LEU A 91 3.833 -9.464 -7.122 1.00 0.00 O ATOM 600 CB LEU A 91 4.958 -6.501 -8.066 1.00 0.00 C ATOM 601 CG LEU A 91 5.535 -5.480 -9.058 1.00 0.00 C ATOM 602 CD1 LEU A 91 6.711 -4.679 -8.483 1.00 0.00 C ATOM 603 CD2 LEU A 91 5.936 -6.073 -10.415 1.00 0.00 C ATOM 0 H LEU A 91 3.034 -8.065 -9.109 1.00 0.00 H new ATOM 0 HA LEU A 91 5.984 -8.113 -9.045 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.916 -6.249 -7.870 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.491 -6.410 -7.120 1.00 0.00 H new ATOM 0 HG LEU A 91 4.700 -4.802 -9.232 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.073 -3.976 -9.233 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.381 -4.131 -7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.515 -5.361 -8.207 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.333 -5.284 -11.054 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.698 -6.838 -10.267 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.062 -6.519 -10.890 1.00 0.00 H new ATOM 615 N GLN A 92 5.905 -8.848 -6.459 1.00 0.00 N ATOM 616 CA GLN A 92 5.866 -9.656 -5.274 1.00 0.00 C ATOM 617 C GLN A 92 5.629 -8.729 -4.112 1.00 0.00 C ATOM 618 O GLN A 92 6.168 -7.623 -4.058 1.00 0.00 O ATOM 619 CB GLN A 92 7.183 -10.401 -5.020 1.00 0.00 C ATOM 620 CG GLN A 92 7.643 -11.250 -6.212 1.00 0.00 C ATOM 621 CD GLN A 92 8.895 -12.017 -5.794 1.00 0.00 C ATOM 622 OE1 GLN A 92 9.435 -11.811 -4.706 1.00 0.00 O ATOM 623 NE2 GLN A 92 9.408 -12.932 -6.673 1.00 0.00 N ATOM 0 H GLN A 92 6.759 -8.303 -6.576 1.00 0.00 H new ATOM 0 HA GLN A 92 5.082 -10.403 -5.394 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.961 -9.677 -4.778 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.065 -11.045 -4.149 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.856 -11.941 -6.513 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.855 -10.615 -7.072 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.949 -13.091 -7.570 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.250 -13.455 -6.431 1.00 0.00 H new ATOM 632 N PRO A 93 4.893 -9.264 -3.146 1.00 0.00 N ATOM 633 CA PRO A 93 4.644 -8.308 -2.086 1.00 0.00 C ATOM 634 C PRO A 93 5.510 -8.768 -0.941 1.00 0.00 C ATOM 635 O PRO A 93 5.858 -7.983 -0.063 1.00 0.00 O ATOM 636 CB PRO A 93 3.198 -8.511 -1.688 1.00 0.00 C ATOM 637 CG PRO A 93 2.799 -9.874 -2.233 1.00 0.00 C ATOM 638 CD PRO A 93 3.754 -10.137 -3.389 1.00 0.00 C ATOM 0 HA PRO A 93 4.841 -7.272 -2.360 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.083 -8.475 -0.605 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.566 -7.725 -2.102 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.886 -10.645 -1.467 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.763 -9.875 -2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.058 -11.183 -3.419 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.284 -9.915 -4.347 1.00 0.00 H new ATOM 646 N GLU A 94 5.906 -10.060 -0.918 1.00 0.00 N ATOM 647 CA GLU A 94 6.466 -10.634 0.277 1.00 0.00 C ATOM 648 C GLU A 94 7.877 -10.141 0.432 1.00 0.00 C ATOM 649 O GLU A 94 8.436 -10.171 1.527 1.00 0.00 O ATOM 650 CB GLU A 94 6.503 -12.171 0.274 1.00 0.00 C ATOM 651 CG GLU A 94 5.172 -12.820 -0.130 1.00 0.00 C ATOM 652 CD GLU A 94 5.248 -13.195 -1.605 1.00 0.00 C ATOM 653 OE1 GLU A 94 5.657 -12.321 -2.416 1.00 0.00 O ATOM 654 OE2 GLU A 94 4.893 -14.354 -1.939 1.00 0.00 O ATOM 0 H GLU A 94 5.841 -10.698 -1.711 1.00 0.00 H new ATOM 0 HA GLU A 94 5.819 -10.327 1.099 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.283 -12.505 -0.411 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.780 -12.521 1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.982 -13.705 0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.346 -12.131 0.044 1.00 0.00 H new ATOM 661 N CYS A 95 8.490 -9.665 -0.668 1.00 0.00 N ATOM 662 CA CYS A 95 9.868 -9.269 -0.619 1.00 0.00 C ATOM 663 C CYS A 95 9.907 -7.772 -0.541 1.00 0.00 C ATOM 664 O CYS A 95 10.967 -7.154 -0.661 1.00 0.00 O ATOM 665 CB CYS A 95 10.627 -9.682 -1.884 1.00 0.00 C ATOM 666 SG CYS A 95 10.806 -11.495 -1.925 1.00 0.00 S ATOM 0 H CYS A 95 8.042 -9.555 -1.578 1.00 0.00 H new ATOM 0 HA CYS A 95 10.335 -9.750 0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.092 -9.339 -2.770 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.609 -9.209 -1.902 1.00 0.00 H new ATOM 0 HG CYS A 95 10.296 -11.957 -3.028 1.00 0.00 H new ATOM 672 N CYS A 96 8.743 -7.143 -0.298 1.00 0.00 N ATOM 673 CA CYS A 96 8.666 -5.716 -0.377 1.00 0.00 C ATOM 674 C CYS A 96 8.129 -5.213 0.930 1.00 0.00 C ATOM 675 O CYS A 96 7.727 -5.989 1.795 1.00 0.00 O ATOM 676 CB CYS A 96 7.704 -5.268 -1.483 1.00 0.00 C ATOM 677 SG CYS A 96 8.403 -5.689 -3.113 1.00 0.00 S ATOM 0 H CYS A 96 7.871 -7.611 -0.051 1.00 0.00 H new ATOM 0 HA CYS A 96 9.659 -5.322 -0.595 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.736 -5.753 -1.355 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.533 -4.194 -1.416 1.00 0.00 H new ATOM 0 HG CYS A 96 7.613 -6.522 -3.722 1.00 0.00 H new ATOM 683 N ALA A 97 8.149 -3.876 1.090 1.00 0.00 N ATOM 684 CA ALA A 97 7.508 -3.244 2.199 1.00 0.00 C ATOM 685 C ALA A 97 6.551 -2.269 1.608 1.00 0.00 C ATOM 686 O ALA A 97 6.597 -1.984 0.417 1.00 0.00 O ATOM 687 CB ALA A 97 8.534 -2.446 3.023 1.00 0.00 C ATOM 0 H ALA A 97 8.611 -3.232 0.448 1.00 0.00 H new ATOM 0 HA ALA A 97 7.031 -3.982 2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.033 -1.969 3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.306 -3.120 3.395 1.00 0.00 H new ATOM 0 HB3 ALA A 97 8.991 -1.683 2.394 1.00 0.00 H new ATOM 693 N VAL A 98 5.671 -1.709 2.444 1.00 0.00 N ATOM 694 CA VAL A 98 4.705 -0.773 1.963 1.00 0.00 C ATOM 695 C VAL A 98 4.588 0.299 2.996 1.00 0.00 C ATOM 696 O VAL A 98 4.811 0.070 4.187 1.00 0.00 O ATOM 697 CB VAL A 98 3.345 -1.420 1.684 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.898 -2.389 2.775 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.208 -0.423 1.509 1.00 0.00 C ATOM 0 H VAL A 98 5.624 -1.899 3.445 1.00 0.00 H new ATOM 0 HA VAL A 98 5.033 -0.366 1.006 1.00 0.00 H new ATOM 0 HB VAL A 98 3.527 -1.949 0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.928 -2.810 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.629 -3.192 2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.818 -1.858 3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.280 -0.960 1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.101 0.170 2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.428 0.236 0.669 1.00 0.00 H new ATOM 709 N PHE A 99 4.253 1.516 2.537 1.00 0.00 N ATOM 710 CA PHE A 99 4.412 2.679 3.355 1.00 0.00 C ATOM 711 C PHE A 99 3.299 3.610 3.029 1.00 0.00 C ATOM 712 O PHE A 99 2.742 3.577 1.931 1.00 0.00 O ATOM 713 CB PHE A 99 5.678 3.479 3.009 1.00 0.00 C ATOM 714 CG PHE A 99 6.859 2.738 3.530 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.372 1.652 2.843 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.604 3.214 4.622 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.648 1.205 3.089 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.897 2.805 4.826 1.00 0.00 C ATOM 719 CZ PHE A 99 9.443 1.867 3.991 1.00 0.00 C ATOM 0 H PHE A 99 3.875 1.696 1.607 1.00 0.00 H new ATOM 0 HA PHE A 99 4.449 2.339 4.390 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.759 3.612 1.930 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.630 4.475 3.450 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.763 1.150 2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.152 3.912 5.311 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.025 0.334 2.573 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.479 3.218 5.637 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.499 1.648 4.042 1.00 0.00 H new ATOM 729 N ARG A 100 3.056 4.552 3.956 1.00 0.00 N ATOM 730 CA ARG A 100 2.376 5.762 3.615 1.00 0.00 C ATOM 731 C ARG A 100 3.446 6.740 3.225 1.00 0.00 C ATOM 732 O ARG A 100 4.548 6.721 3.775 1.00 0.00 O ATOM 733 CB ARG A 100 1.638 6.360 4.808 1.00 0.00 C ATOM 734 CG ARG A 100 0.222 5.808 4.983 1.00 0.00 C ATOM 735 CD ARG A 100 -0.301 5.903 6.418 1.00 0.00 C ATOM 736 NE ARG A 100 -1.112 7.154 6.535 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.521 8.358 6.776 1.00 0.00 C ATOM 738 NH1 ARG A 100 0.763 8.435 7.181 1.00 0.00 N ATOM 739 NH2 ARG A 100 -1.268 9.484 6.783 1.00 0.00 N ATOM 0 H ARG A 100 3.328 4.477 4.936 1.00 0.00 H new ATOM 0 HA ARG A 100 1.649 5.559 2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.211 6.166 5.715 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.586 7.442 4.689 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.454 6.350 4.322 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.207 4.765 4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.909 5.031 6.660 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.528 5.920 7.125 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.126 7.105 6.433 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.308 7.583 7.312 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.189 9.345 7.357 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.272 9.431 6.608 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.828 10.387 6.963 1.00 0.00 H new ATOM 753 N LEU A 101 3.139 7.645 2.278 1.00 0.00 N ATOM 754 CA LEU A 101 4.127 8.570 1.807 1.00 0.00 C ATOM 755 C LEU A 101 4.236 9.678 2.815 1.00 0.00 C ATOM 756 O LEU A 101 3.713 9.603 3.928 1.00 0.00 O ATOM 757 CB LEU A 101 3.726 9.182 0.454 1.00 0.00 C ATOM 758 CG LEU A 101 3.914 8.225 -0.725 1.00 0.00 C ATOM 759 CD1 LEU A 101 2.987 7.018 -0.674 1.00 0.00 C ATOM 760 CD2 LEU A 101 3.731 8.897 -2.090 1.00 0.00 C ATOM 0 H LEU A 101 2.221 7.738 1.843 1.00 0.00 H new ATOM 0 HA LEU A 101 5.072 8.042 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.682 9.491 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.317 10.081 0.281 1.00 0.00 H new ATOM 0 HG LEU A 101 4.948 7.895 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.172 6.380 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.174 6.454 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.950 7.355 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.878 8.161 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.724 9.309 -2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.460 9.700 -2.201 1.00 0.00 H new ATOM 772 N LEU A 102 4.924 10.770 2.428 1.00 0.00 N ATOM 773 CA LEU A 102 5.206 11.823 3.350 1.00 0.00 C ATOM 774 C LEU A 102 4.032 12.755 3.366 1.00 0.00 C ATOM 775 O LEU A 102 4.064 13.845 2.801 1.00 0.00 O ATOM 776 CB LEU A 102 6.503 12.565 3.022 1.00 0.00 C ATOM 777 CG LEU A 102 6.943 12.421 1.562 1.00 0.00 C ATOM 778 CD1 LEU A 102 5.911 12.970 0.580 1.00 0.00 C ATOM 779 CD2 LEU A 102 8.333 13.001 1.292 1.00 0.00 C ATOM 0 H LEU A 102 5.281 10.921 1.485 1.00 0.00 H new ATOM 0 HA LEU A 102 5.361 11.393 4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.374 13.623 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.297 12.194 3.670 1.00 0.00 H new ATOM 0 HG LEU A 102 7.014 11.347 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.275 12.842 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.971 12.431 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.749 14.030 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.585 12.867 0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.337 14.064 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.069 12.486 1.910 1.00 0.00 H new ATOM 791 N HIS A 103 2.968 12.352 4.087 1.00 0.00 N ATOM 792 CA HIS A 103 1.848 13.221 4.288 1.00 0.00 C ATOM 793 C HIS A 103 2.029 13.869 5.631 1.00 0.00 C ATOM 794 O HIS A 103 1.295 14.783 6.000 1.00 0.00 O ATOM 795 CB HIS A 103 0.501 12.479 4.271 1.00 0.00 C ATOM 796 CG HIS A 103 0.090 12.034 2.897 1.00 0.00 C ATOM 797 ND1 HIS A 103 -1.111 11.419 2.653 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.670 12.243 1.693 1.00 0.00 C ATOM 799 CE1 HIS A 103 -1.252 11.269 1.347 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.183 11.752 0.741 1.00 0.00 N ATOM 0 H HIS A 103 2.883 11.435 4.526 1.00 0.00 H new ATOM 0 HA HIS A 103 1.818 13.944 3.472 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.564 11.609 4.924 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.271 13.130 4.681 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -1.784 11.126 3.361 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.627 12.710 1.516 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.104 10.823 0.855 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.020 11.758 -0.266 1.00 0.00 H new ATOM 809 N GLU A 104 3.039 13.403 6.397 1.00 0.00 N ATOM 810 CA GLU A 104 3.303 13.976 7.685 1.00 0.00 C ATOM 811 C GLU A 104 4.792 13.983 7.875 1.00 0.00 C ATOM 812 O GLU A 104 5.288 13.963 9.003 1.00 0.00 O ATOM 813 CB GLU A 104 2.709 13.171 8.855 1.00 0.00 C ATOM 814 CG GLU A 104 1.186 12.995 8.779 1.00 0.00 C ATOM 815 CD GLU A 104 0.878 11.774 7.917 1.00 0.00 C ATOM 816 OE1 GLU A 104 1.675 10.792 7.914 1.00 0.00 O ATOM 817 OE2 GLU A 104 -0.203 11.761 7.270 1.00 0.00 O ATOM 0 H GLU A 104 3.663 12.642 6.129 1.00 0.00 H new ATOM 0 HA GLU A 104 2.848 14.966 7.697 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.178 12.187 8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.961 13.669 9.791 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.770 12.867 9.778 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.723 13.885 8.353 1.00 0.00 H new ATOM 824 N HIS A 105 5.560 13.958 6.767 1.00 0.00 N ATOM 825 CA HIS A 105 6.990 13.912 6.887 1.00 0.00 C ATOM 826 C HIS A 105 7.555 14.794 5.816 1.00 0.00 C ATOM 827 O HIS A 105 6.821 15.317 4.981 1.00 0.00 O ATOM 828 CB HIS A 105 7.605 12.505 6.747 1.00 0.00 C ATOM 829 CG HIS A 105 6.630 11.395 7.010 1.00 0.00 C ATOM 830 ND1 HIS A 105 6.167 10.430 6.192 1.00 0.00 N flip ATOM 831 CD2 HIS A 105 6.023 11.218 8.224 1.00 0.00 C flip ATOM 832 CE1 HIS A 105 5.234 9.718 6.893 1.00 0.00 C flip ATOM 833 NE2 HIS A 105 5.169 10.210 8.119 1.00 0.00 N flip ATOM 0 H HIS A 105 5.204 13.969 5.811 1.00 0.00 H new ATOM 0 HA HIS A 105 7.239 14.243 7.895 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.008 12.392 5.741 1.00 0.00 H new ATOM 0 HB3 HIS A 105 8.443 12.413 7.438 1.00 0.00 H new ATOM 0 HD1 HIS A 105 6.458 10.262 5.229 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.208 11.800 9.115 1.00 0.00 H new ATOM 0 HE1 HIS A 105 4.650 8.894 6.511 1.00 0.00 H new ATOM 842 N LYS A 106 8.895 14.953 5.814 1.00 0.00 N ATOM 843 CA LYS A 106 9.520 15.850 4.888 1.00 0.00 C ATOM 844 C LYS A 106 10.224 15.023 3.861 1.00 0.00 C ATOM 845 O LYS A 106 10.263 15.370 2.682 1.00 0.00 O ATOM 846 CB LYS A 106 10.547 16.738 5.599 1.00 0.00 C ATOM 847 CG LYS A 106 11.284 17.708 4.669 1.00 0.00 C ATOM 848 CD LYS A 106 10.362 18.716 3.971 1.00 0.00 C ATOM 849 CE LYS A 106 9.555 19.588 4.939 1.00 0.00 C ATOM 850 NZ LYS A 106 10.453 20.433 5.720 1.00 0.00 N ATOM 0 H LYS A 106 9.536 14.469 6.443 1.00 0.00 H new ATOM 0 HA LYS A 106 8.765 16.493 4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 106 10.041 17.310 6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.279 16.102 6.097 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.032 18.252 5.246 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.820 17.135 3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 106 10.963 19.361 3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.673 18.175 3.322 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.852 20.208 4.383 1.00 0.00 H new ATOM 0 HE3 LYS A 106 8.966 18.957 5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.894 21.080 6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.050 19.836 6.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 11.056 20.986 5.078 1.00 0.00 H new ATOM 864 N GLY A 107 10.816 13.904 4.302 1.00 0.00 N ATOM 865 CA GLY A 107 11.596 13.086 3.415 1.00 0.00 C ATOM 866 C GLY A 107 11.702 11.729 4.030 1.00 0.00 C ATOM 867 O GLY A 107 12.798 11.202 4.196 1.00 0.00 O ATOM 0 H GLY A 107 10.760 13.562 5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 107 11.124 13.026 2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 107 12.586 13.518 3.267 1.00 0.00 H new ATOM 871 N LYS A 108 10.543 11.121 4.345 1.00 0.00 N ATOM 872 CA LYS A 108 10.527 9.807 4.892 1.00 0.00 C ATOM 873 C LYS A 108 9.189 9.254 4.565 1.00 0.00 C ATOM 874 O LYS A 108 8.252 10.000 4.292 1.00 0.00 O ATOM 875 CB LYS A 108 10.678 9.786 6.411 1.00 0.00 C ATOM 876 CG LYS A 108 12.098 10.104 6.877 1.00 0.00 C ATOM 877 CD LYS A 108 12.543 9.266 8.078 1.00 0.00 C ATOM 878 CE LYS A 108 13.940 9.629 8.588 1.00 0.00 C ATOM 879 NZ LYS A 108 14.298 8.775 9.717 1.00 0.00 N ATOM 0 H LYS A 108 9.622 11.541 4.220 1.00 0.00 H new ATOM 0 HA LYS A 108 11.362 9.240 4.480 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.988 10.508 6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.391 8.803 6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.790 9.938 6.051 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.159 11.161 7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.824 9.394 8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.528 8.212 7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 108 14.670 9.512 7.787 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.965 10.676 8.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.248 9.029 10.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.609 8.907 10.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 14.293 7.780 9.415 1.00 0.00 H new ATOM 893 N LYS A 109 9.102 7.923 4.519 1.00 0.00 N ATOM 894 CA LYS A 109 7.853 7.271 4.311 1.00 0.00 C ATOM 895 C LYS A 109 7.549 6.550 5.582 1.00 0.00 C ATOM 896 O LYS A 109 8.450 6.053 6.259 1.00 0.00 O ATOM 897 CB LYS A 109 7.968 6.268 3.155 1.00 0.00 C ATOM 898 CG LYS A 109 7.756 6.863 1.766 1.00 0.00 C ATOM 899 CD LYS A 109 7.188 5.848 0.777 1.00 0.00 C ATOM 900 CE LYS A 109 8.063 4.599 0.623 1.00 0.00 C ATOM 901 NZ LYS A 109 9.299 4.938 -0.076 1.00 0.00 N ATOM 0 H LYS A 109 9.897 7.293 4.626 1.00 0.00 H new ATOM 0 HA LYS A 109 7.068 7.983 4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.955 5.807 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 109 7.239 5.473 3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 109 7.079 7.714 1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.705 7.242 1.388 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.193 5.548 1.106 1.00 0.00 H new ATOM 0 HD3 LYS A 109 7.072 6.325 -0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.293 4.183 1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.522 3.832 0.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.855 4.074 -0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 9.071 5.378 -0.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.852 5.604 0.500 1.00 0.00 H new ATOM 915 N ALA A 110 6.261 6.527 5.963 1.00 0.00 N ATOM 916 CA ALA A 110 5.874 5.921 7.207 1.00 0.00 C ATOM 917 C ALA A 110 5.543 4.501 6.913 1.00 0.00 C ATOM 918 O ALA A 110 4.676 4.213 6.091 1.00 0.00 O ATOM 919 CB ALA A 110 4.693 6.537 7.956 1.00 0.00 C ATOM 0 H ALA A 110 5.492 6.921 5.421 1.00 0.00 H new ATOM 0 HA ALA A 110 6.721 6.072 7.876 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.514 5.979 8.875 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.918 7.575 8.200 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.803 6.497 7.328 1.00 0.00 H new ATOM 925 N ARG A 111 6.267 3.569 7.560 1.00 0.00 N ATOM 926 CA ARG A 111 6.237 2.221 7.126 1.00 0.00 C ATOM 927 C ARG A 111 5.155 1.553 7.891 1.00 0.00 C ATOM 928 O ARG A 111 4.941 1.835 9.069 1.00 0.00 O ATOM 929 CB ARG A 111 7.581 1.615 7.481 1.00 0.00 C ATOM 930 CG ARG A 111 7.941 0.396 6.647 1.00 0.00 C ATOM 931 CD ARG A 111 7.455 -0.889 7.292 1.00 0.00 C ATOM 932 NE ARG A 111 7.989 -2.022 6.479 1.00 0.00 N ATOM 933 CZ ARG A 111 7.522 -3.287 6.657 1.00 0.00 C ATOM 934 NH1 ARG A 111 6.390 -3.515 7.354 1.00 0.00 N ATOM 935 NH2 ARG A 111 8.093 -4.317 5.990 1.00 0.00 N ATOM 0 H ARG A 111 6.861 3.751 8.369 1.00 0.00 H new ATOM 0 HA ARG A 111 6.056 2.118 6.056 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.355 2.372 7.355 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.577 1.335 8.534 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.503 0.493 5.653 1.00 0.00 H new ATOM 0 HG3 ARG A 111 9.022 0.351 6.516 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.803 -0.958 8.323 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.366 -0.917 7.321 1.00 0.00 H new ATOM 0 HE ARG A 111 8.712 -1.845 5.782 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.872 -2.733 7.756 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.052 -4.469 7.479 1.00 0.00 H new ATOM 0 HH21 ARG A 111 8.872 -4.144 5.355 1.00 0.00 H new ATOM 0 HH22 ARG A 111 7.744 -5.266 6.122 1.00 0.00 H new ATOM 949 N LEU A 112 4.435 0.657 7.209 1.00 0.00 N ATOM 950 CA LEU A 112 3.179 0.200 7.717 1.00 0.00 C ATOM 951 C LEU A 112 3.305 -1.253 8.006 1.00 0.00 C ATOM 952 O LEU A 112 4.403 -1.799 8.119 1.00 0.00 O ATOM 953 CB LEU A 112 2.053 0.379 6.699 1.00 0.00 C ATOM 954 CG LEU A 112 1.909 1.816 6.198 1.00 0.00 C ATOM 955 CD1 LEU A 112 0.933 1.946 5.031 1.00 0.00 C ATOM 956 CD2 LEU A 112 1.503 2.803 7.295 1.00 0.00 C ATOM 0 H LEU A 112 4.713 0.250 6.316 1.00 0.00 H new ATOM 0 HA LEU A 112 2.935 0.781 8.606 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.235 -0.278 5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.112 0.063 7.150 1.00 0.00 H new ATOM 0 HG LEU A 112 2.910 2.075 5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.874 2.989 4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.281 1.338 4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.054 1.604 5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.419 3.804 6.871 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.543 2.505 7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.258 2.804 8.081 1.00 0.00 H new ATOM 968 N ASP A 113 2.142 -1.916 8.145 1.00 0.00 N ATOM 969 CA ASP A 113 2.123 -3.326 8.394 1.00 0.00 C ATOM 970 C ASP A 113 1.946 -4.010 7.074 1.00 0.00 C ATOM 971 O ASP A 113 1.750 -3.356 6.053 1.00 0.00 O ATOM 972 CB ASP A 113 1.051 -3.782 9.404 1.00 0.00 C ATOM 973 CG ASP A 113 1.519 -5.075 10.056 1.00 0.00 C ATOM 974 OD1 ASP A 113 1.242 -6.156 9.466 1.00 0.00 O ATOM 975 OD2 ASP A 113 2.172 -4.997 11.125 1.00 0.00 O ATOM 0 H ASP A 113 1.221 -1.481 8.086 1.00 0.00 H new ATOM 0 HA ASP A 113 3.067 -3.600 8.866 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.892 -3.013 10.160 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.097 -3.936 8.900 1.00 0.00 H new ATOM 980 N TRP A 114 2.050 -5.356 7.080 1.00 0.00 N ATOM 981 CA TRP A 114 1.895 -6.116 5.896 1.00 0.00 C ATOM 982 C TRP A 114 0.585 -6.847 6.048 1.00 0.00 C ATOM 983 O TRP A 114 0.216 -7.700 5.252 1.00 0.00 O ATOM 984 CB TRP A 114 3.053 -7.130 5.748 1.00 0.00 C ATOM 985 CG TRP A 114 3.823 -6.990 4.458 1.00 0.00 C ATOM 986 CD1 TRP A 114 5.142 -7.187 4.174 1.00 0.00 C ATOM 987 CD2 TRP A 114 3.212 -6.543 3.251 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.391 -6.852 2.856 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.208 -6.432 2.277 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.906 -6.284 3.015 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.842 -5.972 1.025 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.551 -5.870 1.754 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.503 -5.697 0.773 1.00 0.00 C ATOM 0 H TRP A 114 2.243 -5.909 7.915 1.00 0.00 H new ATOM 0 HA TRP A 114 1.906 -5.481 5.010 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.740 -7.008 6.585 1.00 0.00 H new ATOM 0 HB3 TRP A 114 2.649 -8.140 5.812 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.881 -7.550 4.873 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.296 -6.906 2.389 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.166 -6.399 3.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.585 -5.829 0.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.512 -5.678 1.529 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.205 -5.344 -0.203 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.175 -6.482 7.095 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.523 -6.945 7.234 1.00 0.00 C ATOM 1006 C ASN A 115 -2.347 -5.736 7.519 1.00 0.00 C ATOM 1007 O ASN A 115 -3.409 -5.820 8.134 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.659 -7.854 8.464 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.645 -8.963 8.139 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.256 -10.094 7.849 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -3.953 -8.631 8.202 1.00 0.00 N ATOM 0 H ASN A 115 0.142 -5.867 7.845 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.823 -7.488 6.338 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.690 -8.275 8.732 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -2.005 -7.279 9.323 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.667 -9.332 8.005 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.226 -7.679 8.447 1.00 0.00 H new ATOM 1018 N THR A 116 -1.849 -4.563 7.082 1.00 0.00 N ATOM 1019 CA THR A 116 -2.311 -3.328 7.635 1.00 0.00 C ATOM 1020 C THR A 116 -3.713 -3.070 7.136 1.00 0.00 C ATOM 1021 O THR A 116 -4.131 -3.546 6.078 1.00 0.00 O ATOM 1022 CB THR A 116 -1.323 -2.145 7.517 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.798 -1.821 8.796 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.958 -0.777 7.224 1.00 0.00 C ATOM 0 H THR A 116 -1.137 -4.471 6.357 1.00 0.00 H new ATOM 0 HA THR A 116 -2.357 -3.427 8.720 1.00 0.00 H new ATOM 0 HB THR A 116 -0.646 -2.495 6.738 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.586 -0.865 8.830 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.177 -0.019 7.161 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.497 -0.821 6.278 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.651 -0.519 8.025 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.502 -2.347 7.947 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.825 -1.966 7.562 1.00 0.00 C ATOM 1034 C ASP A 117 -5.696 -0.785 6.656 1.00 0.00 C ATOM 1035 O ASP A 117 -5.702 0.347 7.126 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.638 -1.550 8.792 1.00 0.00 C ATOM 1037 CG ASP A 117 -6.569 -2.677 9.813 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -5.489 -2.835 10.444 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -7.597 -3.381 9.982 1.00 0.00 O ATOM 0 H ASP A 117 -4.223 -2.024 8.874 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.329 -2.800 7.074 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.240 -0.628 9.216 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.673 -1.352 8.514 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.714 -1.064 5.334 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.570 -0.049 4.315 1.00 0.00 C ATOM 1046 C ALA A 118 -6.753 0.872 4.399 1.00 0.00 C ATOM 1047 O ALA A 118 -6.728 1.982 3.874 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.706 -0.864 3.011 1.00 0.00 C ATOM 0 H ALA A 118 -5.830 -2.007 4.962 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.651 0.532 4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.613 -0.197 2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.921 -1.619 2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.680 -1.352 2.987 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.781 0.456 5.159 1.00 0.00 N ATOM 1055 CA ALA A 119 -8.982 1.225 5.292 1.00 0.00 C ATOM 1056 C ALA A 119 -8.748 2.291 6.323 1.00 0.00 C ATOM 1057 O ALA A 119 -9.574 3.181 6.504 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.823 0.105 5.934 1.00 0.00 C ATOM 0 H ALA A 119 -7.781 -0.418 5.685 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.377 1.713 4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.828 0.475 6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.879 -0.744 5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.358 -0.209 6.868 1.00 0.00 H new ATOM 1064 N SER A 120 -7.585 2.252 7.004 1.00 0.00 N ATOM 1065 CA SER A 120 -7.262 3.288 7.946 1.00 0.00 C ATOM 1066 C SER A 120 -6.345 4.251 7.253 1.00 0.00 C ATOM 1067 O SER A 120 -6.088 5.344 7.753 1.00 0.00 O ATOM 1068 CB SER A 120 -6.558 2.772 9.210 1.00 0.00 C ATOM 1069 OG SER A 120 -6.385 3.831 10.145 1.00 0.00 O ATOM 0 H SER A 120 -6.881 1.521 6.908 1.00 0.00 H new ATOM 0 HA SER A 120 -8.196 3.746 8.272 1.00 0.00 H new ATOM 0 HB2 SER A 120 -7.145 1.972 9.661 1.00 0.00 H new ATOM 0 HB3 SER A 120 -5.589 2.347 8.947 1.00 0.00 H new ATOM 0 HG SER A 120 -6.214 4.668 9.664 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.791 3.826 6.100 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.914 4.668 5.335 1.00 0.00 C ATOM 1077 C LEU A 121 -5.697 5.121 4.167 1.00 0.00 C ATOM 1078 O LEU A 121 -5.147 5.573 3.166 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.703 3.896 4.799 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.944 3.135 5.884 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -3.014 3.822 7.252 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.499 1.734 6.107 1.00 0.00 C ATOM 0 H LEU A 121 -5.949 2.902 5.697 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.551 5.480 5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.038 3.192 4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.023 4.594 4.311 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.920 3.105 5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.457 3.236 7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.581 4.820 7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.055 3.900 7.567 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.925 1.235 6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.544 1.801 6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.426 1.162 5.182 1.00 0.00 H new ATOM 1094 N ILE A 122 -7.020 4.952 4.281 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.897 5.202 3.175 1.00 0.00 C ATOM 1096 C ILE A 122 -7.884 6.668 2.882 1.00 0.00 C ATOM 1097 O ILE A 122 -7.885 7.508 3.782 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.327 4.688 3.369 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.918 4.060 2.108 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.317 5.707 3.966 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.563 2.586 1.928 1.00 0.00 C ATOM 0 H ILE A 122 -7.487 4.643 5.133 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.519 4.633 2.326 1.00 0.00 H new ATOM 0 HB ILE A 122 -9.200 3.909 4.120 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -11.003 4.162 2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.569 4.617 1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.300 5.246 4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.966 6.023 4.948 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.387 6.574 3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -10.019 2.211 1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.480 2.478 1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.936 2.015 2.778 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.844 6.984 1.577 1.00 0.00 N ATOM 1114 CA GLY A 123 -7.887 8.351 1.134 1.00 0.00 C ATOM 1115 C GLY A 123 -6.511 8.929 1.281 1.00 0.00 C ATOM 1116 O GLY A 123 -6.354 10.107 1.591 1.00 0.00 O ATOM 0 H GLY A 123 -7.782 6.298 0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.214 8.405 0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.605 8.921 1.724 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.469 8.107 1.041 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.125 8.574 1.195 1.00 0.00 C ATOM 1122 C GLU A 124 -3.354 8.076 0.014 1.00 0.00 C ATOM 1123 O GLU A 124 -3.905 7.461 -0.898 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.439 8.009 2.449 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.236 8.228 3.742 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.675 9.449 4.461 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -3.232 10.416 3.779 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -3.572 9.396 5.717 1.00 0.00 O ATOM 0 H GLU A 124 -5.556 7.135 0.745 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.149 9.660 1.281 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.274 6.940 2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.458 8.472 2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.292 8.375 3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -4.167 7.348 4.382 1.00 0.00 H new ATOM 1135 N GLU A 125 -2.025 8.281 0.044 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.168 7.707 -0.950 1.00 0.00 C ATOM 1137 C GLU A 125 -0.360 6.663 -0.270 1.00 0.00 C ATOM 1138 O GLU A 125 0.034 6.829 0.886 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.176 8.705 -1.567 1.00 0.00 C ATOM 1140 CG GLU A 125 -0.749 9.457 -2.770 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.118 10.843 -2.819 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -0.198 11.574 -1.791 1.00 0.00 O ATOM 1143 OE2 GLU A 125 0.461 11.190 -3.881 1.00 0.00 O ATOM 0 H GLU A 125 -1.545 8.839 0.750 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.802 7.335 -1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 125 0.126 9.425 -0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.723 8.171 -1.875 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.540 8.913 -3.691 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.833 9.537 -2.686 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.058 5.575 -1.002 1.00 0.00 N ATOM 1151 CA LEU A 126 0.810 4.571 -0.474 1.00 0.00 C ATOM 1152 C LEU A 126 1.832 4.247 -1.510 1.00 0.00 C ATOM 1153 O LEU A 126 1.633 4.462 -2.704 1.00 0.00 O ATOM 1154 CB LEU A 126 0.103 3.280 -0.062 1.00 0.00 C ATOM 1155 CG LEU A 126 -0.389 3.304 1.384 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -1.823 3.781 1.534 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.098 2.009 2.139 1.00 0.00 C ATOM 0 H LEU A 126 -0.408 5.393 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 126 1.250 4.981 0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.745 3.109 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.786 2.440 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 126 0.212 4.069 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.101 3.771 2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.912 4.795 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.487 3.120 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.472 2.091 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.591 1.177 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.978 1.834 2.160 1.00 0.00 H new ATOM 1169 N GLN A 127 2.976 3.719 -1.039 1.00 0.00 N ATOM 1170 CA GLN A 127 4.046 3.353 -1.921 1.00 0.00 C ATOM 1171 C GLN A 127 4.562 2.043 -1.430 1.00 0.00 C ATOM 1172 O GLN A 127 4.427 1.715 -0.252 1.00 0.00 O ATOM 1173 CB GLN A 127 5.218 4.353 -1.901 1.00 0.00 C ATOM 1174 CG GLN A 127 6.127 4.276 -3.140 1.00 0.00 C ATOM 1175 CD GLN A 127 7.569 4.504 -2.701 1.00 0.00 C ATOM 1176 OE1 GLN A 127 7.978 5.632 -2.424 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.385 3.418 -2.681 1.00 0.00 N ATOM 0 H GLN A 127 3.162 3.545 -0.051 1.00 0.00 H new ATOM 0 HA GLN A 127 3.662 3.326 -2.941 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.818 5.364 -1.818 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.820 4.174 -1.010 1.00 0.00 H new ATOM 0 HG2 GLN A 127 6.028 3.303 -3.622 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.832 5.027 -3.873 1.00 0.00 H new ATOM 0 HE21 GLN A 127 8.014 2.497 -2.916 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.368 3.523 -2.431 1.00 0.00 H new ATOM 1186 N VAL A 128 5.168 1.261 -2.338 1.00 0.00 N ATOM 1187 CA VAL A 128 5.759 0.016 -1.949 1.00 0.00 C ATOM 1188 C VAL A 128 7.239 0.178 -2.097 1.00 0.00 C ATOM 1189 O VAL A 128 7.707 0.879 -2.992 1.00 0.00 O ATOM 1190 CB VAL A 128 5.244 -1.169 -2.784 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.134 -2.418 -2.719 1.00 0.00 C ATOM 1192 CG2 VAL A 128 3.852 -1.649 -2.352 1.00 0.00 C ATOM 0 H VAL A 128 5.250 1.484 -3.330 1.00 0.00 H new ATOM 0 HA VAL A 128 5.487 -0.218 -0.920 1.00 0.00 H new ATOM 0 HB VAL A 128 5.235 -0.755 -3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.700 -3.206 -3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.130 -2.175 -3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.205 -2.761 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.545 -2.486 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 128 3.884 -1.968 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.136 -0.834 -2.459 1.00 0.00 H new ATOM 1202 N ASP A 129 8.003 -0.414 -1.162 1.00 0.00 N ATOM 1203 CA ASP A 129 9.432 -0.310 -1.200 1.00 0.00 C ATOM 1204 C ASP A 129 9.973 -1.699 -1.047 1.00 0.00 C ATOM 1205 O ASP A 129 9.228 -2.671 -1.080 1.00 0.00 O ATOM 1206 CB ASP A 129 9.993 0.588 -0.084 1.00 0.00 C ATOM 1207 CG ASP A 129 10.998 1.547 -0.706 1.00 0.00 C ATOM 1208 OD1 ASP A 129 12.069 1.058 -1.154 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.681 2.767 -0.784 1.00 0.00 O ATOM 0 H ASP A 129 7.636 -0.962 -0.384 1.00 0.00 H new ATOM 0 HA ASP A 129 9.731 0.149 -2.142 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.188 1.142 0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.471 -0.017 0.686 1.00 0.00 H new ATOM 1214 N PHE A 130 11.302 -1.825 -0.863 1.00 0.00 N ATOM 1215 CA PHE A 130 11.907 -3.124 -0.863 1.00 0.00 C ATOM 1216 C PHE A 130 12.129 -3.530 0.564 1.00 0.00 C ATOM 1217 O PHE A 130 12.901 -2.876 1.260 1.00 0.00 O ATOM 1218 CB PHE A 130 13.263 -3.149 -1.574 1.00 0.00 C ATOM 1219 CG PHE A 130 13.074 -2.589 -2.945 1.00 0.00 C ATOM 1220 CD1 PHE A 130 12.624 -3.400 -3.992 1.00 0.00 C ATOM 1221 CD2 PHE A 130 13.359 -1.260 -3.224 1.00 0.00 C ATOM 1222 CE1 PHE A 130 12.468 -2.891 -5.268 1.00 0.00 C ATOM 1223 CE2 PHE A 130 13.197 -0.752 -4.502 1.00 0.00 C ATOM 1224 CZ PHE A 130 12.761 -1.566 -5.525 1.00 0.00 C ATOM 0 H PHE A 130 11.945 -1.047 -0.717 1.00 0.00 H new ATOM 0 HA PHE A 130 11.239 -3.801 -1.395 1.00 0.00 H new ATOM 0 HB2 PHE A 130 13.995 -2.562 -1.020 1.00 0.00 H new ATOM 0 HB3 PHE A 130 13.647 -4.168 -1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 130 12.395 -4.438 -3.801 1.00 0.00 H new ATOM 0 HD2 PHE A 130 13.712 -0.613 -2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 130 12.117 -3.530 -6.065 1.00 0.00 H new ATOM 0 HE2 PHE A 130 13.414 0.288 -4.698 1.00 0.00 H new ATOM 0 HZ PHE A 130 12.649 -1.170 -6.523 1.00 0.00 H new