USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC H2D : A 105 HEC O2D : A 105 HEC CGD :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot -31:sc= 1.23 USER MOD Set 1.2: A 78 THR OG1 : rot 69:sc= 2.24 USER MOD Set 2.1: A 58 THR OG1 : rot -160:sc= 0.95 USER MOD Set 2.2: A 60 LYS NZ :NH3+ -174:sc= 1.15 (180deg=-0.0138) USER MOD Set 3.1: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 105 HEC O2A : rot -109:sc= 0.274 USER MOD Set 4.1: A 26 HIS : no HD1:sc= -0.391 X(o=-0.53,f=-0.99) USER MOD Set 4.2: A 31 ASN : amide:sc= -0.143 K(o=-0.53,f=-3.4!) USER MOD Single : A 1 GLY N :NH3+ -150:sc= -1.42 (180deg=-3.43!) USER MOD Single : A 5 LYS NZ :NH3+ 141:sc= -0.0883 (180deg=-0.543) USER MOD Single : A 7 LYS NZ :NH3+ -118:sc= 0.962 (180deg=-0.794!) USER MOD Single : A 8 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0026) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= 2.17 (180deg=2.07) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -82:sc= 0.736 USER MOD Single : A 22 LYS NZ :NH3+ 164:sc= 1.17 (180deg=1.03) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 153:sc=-0.00521 (180deg=-0.649) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.0402 X(o=-0.04,f=-0.04) USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.015) USER MOD Single : A 40 THR OG1 : rot -118:sc= 1.45 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 100:sc= -0.456 USER MOD Single : A 49 THR OG1 : rot -73:sc= 0.574 USER MOD Single : A 52 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.3!) USER MOD Single : A 53 LYS NZ :NH3+ -138:sc= 0.685 (180deg=0.0471) USER MOD Single : A 54 ASN : amide:sc= -0.024 X(o=-0.024,f=-0.024) USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= 0.238 (180deg=0.0721) USER MOD Single : A 63 THR OG1 : rot 3:sc= 0.737 USER MOD Single : A 65 MET CE :methyl -172:sc= -0.0181 (180deg=-0.121) USER MOD Single : A 70 ASN : amide:sc= -0.157 K(o=-0.16,f=-0.95) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 30:sc= -0.346 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 169:sc= -0.0989 (180deg=-0.174) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.126) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0629 USER MOD Single : A 97 TYR OH : rot 165:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -135:sc= 1.02 (180deg=-0.18) USER MOD Single : A 102 THR OG1 : rot 89:sc= 1.07 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.816 9.709 4.182 1.00 0.00 N ATOM 2 CA GLY A 1 -11.046 10.142 5.339 1.00 0.00 C ATOM 3 C GLY A 1 -10.508 11.502 4.929 1.00 0.00 C ATOM 4 O GLY A 1 -11.156 12.120 4.084 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.599 9.099 4.494 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.200 10.541 3.690 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.200 9.177 3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.669 10.211 6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.240 9.445 5.566 1.00 0.00 H new ATOM 10 N ASP A 2 -9.367 11.915 5.455 1.00 0.00 N ATOM 11 CA ASP A 2 -8.782 13.223 5.224 1.00 0.00 C ATOM 12 C ASP A 2 -7.638 13.057 4.214 1.00 0.00 C ATOM 13 O ASP A 2 -7.887 12.988 3.012 1.00 0.00 O ATOM 14 CB ASP A 2 -8.367 13.849 6.578 1.00 0.00 C ATOM 15 CG ASP A 2 -9.520 14.055 7.562 1.00 0.00 C ATOM 16 OD1 ASP A 2 -10.682 14.087 7.106 1.00 0.00 O ATOM 17 OD2 ASP A 2 -9.220 14.166 8.775 1.00 0.00 O ATOM 0 H ASP A 2 -8.806 11.330 6.074 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.491 13.926 4.787 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.618 13.210 7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.892 14.811 6.388 1.00 0.00 H new ATOM 22 N VAL A 3 -6.397 12.988 4.709 1.00 0.00 N ATOM 23 CA VAL A 3 -5.118 12.879 4.020 1.00 0.00 C ATOM 24 C VAL A 3 -4.013 12.878 5.084 1.00 0.00 C ATOM 25 O VAL A 3 -3.124 12.026 5.095 1.00 0.00 O ATOM 26 CB VAL A 3 -4.960 14.016 2.992 1.00 0.00 C ATOM 27 CG1 VAL A 3 -4.969 15.435 3.576 1.00 0.00 C ATOM 28 CG2 VAL A 3 -3.712 13.839 2.121 1.00 0.00 C ATOM 0 H VAL A 3 -6.256 13.010 5.719 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.055 11.952 3.450 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.859 13.925 2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.852 16.160 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.915 15.611 4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.147 15.542 4.284 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.643 14.664 1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.825 13.830 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.779 12.897 1.576 1.00 0.00 H new ATOM 38 N GLU A 4 -4.117 13.825 6.017 1.00 0.00 N ATOM 39 CA GLU A 4 -3.203 13.996 7.133 1.00 0.00 C ATOM 40 C GLU A 4 -3.377 12.832 8.091 1.00 0.00 C ATOM 41 O GLU A 4 -2.414 12.151 8.439 1.00 0.00 O ATOM 42 CB GLU A 4 -3.513 15.314 7.856 1.00 0.00 C ATOM 43 CG GLU A 4 -3.024 16.543 7.076 1.00 0.00 C ATOM 44 CD GLU A 4 -1.520 16.490 6.873 1.00 0.00 C ATOM 45 OE1 GLU A 4 -0.762 16.522 7.864 1.00 0.00 O ATOM 46 OE2 GLU A 4 -1.045 16.288 5.736 1.00 0.00 O ATOM 0 H GLU A 4 -4.868 14.515 6.011 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.176 14.024 6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.588 15.393 8.015 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.045 15.303 8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.525 16.588 6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.291 17.452 7.616 1.00 0.00 H new ATOM 53 N LYS A 5 -4.630 12.602 8.488 1.00 0.00 N ATOM 54 CA LYS A 5 -4.997 11.436 9.266 1.00 0.00 C ATOM 55 C LYS A 5 -4.419 10.213 8.573 1.00 0.00 C ATOM 56 O LYS A 5 -3.690 9.461 9.205 1.00 0.00 O ATOM 57 CB LYS A 5 -6.515 11.329 9.370 1.00 0.00 C ATOM 58 CG LYS A 5 -7.132 12.306 10.363 1.00 0.00 C ATOM 59 CD LYS A 5 -7.182 11.719 11.777 1.00 0.00 C ATOM 60 CE LYS A 5 -7.924 12.667 12.729 1.00 0.00 C ATOM 61 NZ LYS A 5 -9.279 13.008 12.236 1.00 0.00 N ATOM 0 H LYS A 5 -5.411 13.222 8.276 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.601 11.513 10.279 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.951 11.502 8.386 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.779 10.313 9.662 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.553 13.230 10.372 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.140 12.565 10.040 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.682 10.750 11.757 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.169 11.548 12.142 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.003 12.203 13.712 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.344 13.581 12.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.942 13.039 13.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.255 13.937 11.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.592 12.287 11.555 1.00 0.00 H new ATOM 75 N GLY A 6 -4.677 10.050 7.275 1.00 0.00 N ATOM 76 CA GLY A 6 -4.149 8.927 6.520 1.00 0.00 C ATOM 77 C GLY A 6 -2.654 8.770 6.751 1.00 0.00 C ATOM 78 O GLY A 6 -2.208 7.714 7.190 1.00 0.00 O ATOM 0 H GLY A 6 -5.253 10.689 6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.664 8.012 6.814 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.343 9.075 5.458 1.00 0.00 H new ATOM 82 N LYS A 7 -1.878 9.825 6.502 1.00 0.00 N ATOM 83 CA LYS A 7 -0.431 9.744 6.605 1.00 0.00 C ATOM 84 C LYS A 7 0.036 9.437 8.030 1.00 0.00 C ATOM 85 O LYS A 7 1.021 8.726 8.233 1.00 0.00 O ATOM 86 CB LYS A 7 0.228 10.944 5.907 1.00 0.00 C ATOM 87 CG LYS A 7 0.725 12.020 6.859 1.00 0.00 C ATOM 88 CD LYS A 7 0.938 13.344 6.109 1.00 0.00 C ATOM 89 CE LYS A 7 1.670 14.364 6.996 1.00 0.00 C ATOM 90 NZ LYS A 7 1.444 15.754 6.552 1.00 0.00 N ATOM 0 H LYS A 7 -2.232 10.742 6.228 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.073 8.876 6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.067 10.587 5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.489 11.388 5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.004 12.163 7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.660 11.702 7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.515 13.164 5.202 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.025 13.750 5.799 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.333 14.254 8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.739 14.151 6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.351 16.182 6.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.798 15.757 5.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.024 16.303 7.329 1.00 0.00 H new ATOM 104 N LYS A 8 -0.696 9.942 9.022 1.00 0.00 N ATOM 105 CA LYS A 8 -0.333 9.803 10.419 1.00 0.00 C ATOM 106 C LYS A 8 -0.593 8.358 10.858 1.00 0.00 C ATOM 107 O LYS A 8 0.278 7.707 11.436 1.00 0.00 O ATOM 108 CB LYS A 8 -1.117 10.846 11.238 1.00 0.00 C ATOM 109 CG LYS A 8 -0.440 11.317 12.533 1.00 0.00 C ATOM 110 CD LYS A 8 -0.283 10.219 13.599 1.00 0.00 C ATOM 111 CE LYS A 8 1.155 9.683 13.704 1.00 0.00 C ATOM 112 NZ LYS A 8 2.076 10.652 14.335 1.00 0.00 N ATOM 0 H LYS A 8 -1.561 10.461 8.871 1.00 0.00 H new ATOM 0 HA LYS A 8 0.727 9.997 10.585 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.298 11.716 10.607 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.091 10.426 11.490 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.545 11.715 12.290 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.020 12.137 12.955 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.589 10.615 14.568 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.956 9.394 13.365 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.153 8.759 14.282 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.521 9.435 12.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.057 10.411 14.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.858 11.610 13.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.962 10.617 15.368 1.00 0.00 H new ATOM 126 N ILE A 9 -1.793 7.849 10.574 1.00 0.00 N ATOM 127 CA ILE A 9 -2.220 6.519 10.970 1.00 0.00 C ATOM 128 C ILE A 9 -1.368 5.514 10.195 1.00 0.00 C ATOM 129 O ILE A 9 -0.909 4.516 10.752 1.00 0.00 O ATOM 130 CB ILE A 9 -3.734 6.381 10.702 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.599 6.923 11.861 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.158 4.915 10.554 1.00 0.00 C ATOM 133 CD1 ILE A 9 -4.625 8.442 12.020 1.00 0.00 C ATOM 0 H ILE A 9 -2.503 8.364 10.053 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.076 6.330 12.034 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.893 6.951 9.787 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.622 6.574 11.719 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.239 6.486 12.792 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.231 4.864 10.367 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.622 4.464 9.719 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.924 4.374 11.471 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.262 8.709 12.863 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.614 8.806 12.200 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.018 8.896 11.110 1.00 0.00 H new ATOM 145 N PHE A 10 -1.147 5.795 8.908 1.00 0.00 N ATOM 146 CA PHE A 10 -0.244 5.045 8.058 1.00 0.00 C ATOM 147 C PHE A 10 1.086 4.840 8.763 1.00 0.00 C ATOM 148 O PHE A 10 1.468 3.723 9.082 1.00 0.00 O ATOM 149 CB PHE A 10 -0.052 5.792 6.733 1.00 0.00 C ATOM 150 CG PHE A 10 1.060 5.257 5.865 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.828 4.142 5.059 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.367 5.739 6.017 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.904 3.481 4.452 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.448 5.079 5.425 1.00 0.00 C ATOM 155 CZ PHE A 10 3.215 3.942 4.637 1.00 0.00 C ATOM 0 H PHE A 10 -1.605 6.569 8.426 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.670 4.064 7.848 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.985 5.753 6.171 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.146 6.842 6.949 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.181 3.789 4.903 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.542 6.632 6.599 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.722 2.611 3.838 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.454 5.442 5.573 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.042 3.424 4.175 1.00 0.00 H new ATOM 165 N VAL A 11 1.795 5.929 9.037 1.00 0.00 N ATOM 166 CA VAL A 11 3.094 5.840 9.676 1.00 0.00 C ATOM 167 C VAL A 11 2.984 5.072 10.999 1.00 0.00 C ATOM 168 O VAL A 11 3.894 4.339 11.372 1.00 0.00 O ATOM 169 CB VAL A 11 3.752 7.234 9.781 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.498 7.459 11.099 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.746 7.476 8.637 1.00 0.00 C ATOM 0 H VAL A 11 1.490 6.879 8.826 1.00 0.00 H new ATOM 0 HA VAL A 11 3.777 5.256 9.058 1.00 0.00 H new ATOM 0 HB VAL A 11 2.920 7.936 9.725 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.935 8.458 11.104 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.802 7.363 11.932 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.289 6.716 11.201 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.189 8.466 8.743 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.532 6.721 8.672 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.224 7.413 7.682 1.00 0.00 H new ATOM 181 N GLN A 12 1.855 5.201 11.698 1.00 0.00 N ATOM 182 CA GLN A 12 1.614 4.430 12.903 1.00 0.00 C ATOM 183 C GLN A 12 1.624 2.913 12.633 1.00 0.00 C ATOM 184 O GLN A 12 2.290 2.186 13.367 1.00 0.00 O ATOM 185 CB GLN A 12 0.330 4.940 13.580 1.00 0.00 C ATOM 186 CG GLN A 12 0.384 4.917 15.116 1.00 0.00 C ATOM 187 CD GLN A 12 -0.255 6.177 15.702 1.00 0.00 C ATOM 188 OE1 GLN A 12 -1.344 6.576 15.306 1.00 0.00 O ATOM 189 NE2 GLN A 12 0.429 6.843 16.630 1.00 0.00 N ATOM 0 H GLN A 12 1.097 5.835 11.444 1.00 0.00 H new ATOM 0 HA GLN A 12 2.435 4.581 13.604 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.137 5.960 13.248 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.511 4.332 13.247 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.135 4.034 15.489 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.420 4.842 15.447 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.334 6.493 16.946 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.048 7.703 17.025 1.00 0.00 H new ATOM 198 N LYS A 13 0.869 2.415 11.637 1.00 0.00 N ATOM 199 CA LYS A 13 0.624 0.963 11.493 1.00 0.00 C ATOM 200 C LYS A 13 1.159 0.315 10.206 1.00 0.00 C ATOM 201 O LYS A 13 0.988 -0.891 10.026 1.00 0.00 O ATOM 202 CB LYS A 13 -0.876 0.677 11.610 1.00 0.00 C ATOM 203 CG LYS A 13 -1.463 1.274 12.894 1.00 0.00 C ATOM 204 CD LYS A 13 -2.729 2.067 12.570 1.00 0.00 C ATOM 205 CE LYS A 13 -3.909 1.097 12.348 1.00 0.00 C ATOM 206 NZ LYS A 13 -5.234 1.634 12.726 1.00 0.00 N ATOM 0 H LYS A 13 0.420 2.989 10.924 1.00 0.00 H new ATOM 0 HA LYS A 13 1.193 0.507 12.303 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.395 1.090 10.745 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.044 -0.400 11.598 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.694 0.478 13.603 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.729 1.923 13.372 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.958 2.753 13.385 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.571 2.673 11.678 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.934 0.813 11.296 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.725 0.187 12.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.960 0.905 12.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.223 1.910 13.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.452 2.465 12.140 1.00 0.00 H new ATOM 220 N CYS A 14 1.777 1.083 9.313 1.00 0.00 N ATOM 221 CA CYS A 14 2.201 0.641 7.987 1.00 0.00 C ATOM 222 C CYS A 14 3.706 0.876 7.839 1.00 0.00 C ATOM 223 O CYS A 14 4.410 0.022 7.312 1.00 0.00 O ATOM 224 CB CYS A 14 1.483 1.383 6.881 1.00 0.00 C ATOM 225 SG CYS A 14 -0.332 1.565 6.969 1.00 0.00 S ATOM 0 H CYS A 14 2.004 2.060 9.497 1.00 0.00 H new ATOM 0 HA CYS A 14 1.957 -0.417 7.897 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.912 2.384 6.824 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.718 0.882 5.942 1.00 0.00 H new ATOM 230 N ALA A 15 4.217 2.026 8.303 1.00 0.00 N ATOM 231 CA ALA A 15 5.629 2.398 8.133 1.00 0.00 C ATOM 232 C ALA A 15 6.613 1.370 8.672 1.00 0.00 C ATOM 233 O ALA A 15 7.707 1.242 8.130 1.00 0.00 O ATOM 234 CB ALA A 15 5.927 3.739 8.774 1.00 0.00 C ATOM 0 H ALA A 15 3.665 2.722 8.805 1.00 0.00 H new ATOM 0 HA ALA A 15 5.771 2.451 7.054 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.979 3.985 8.631 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.308 4.508 8.312 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.708 3.689 9.841 1.00 0.00 H new ATOM 240 N GLN A 16 6.230 0.640 9.724 1.00 0.00 N ATOM 241 CA GLN A 16 6.984 -0.499 10.225 1.00 0.00 C ATOM 242 C GLN A 16 7.493 -1.391 9.082 1.00 0.00 C ATOM 243 O GLN A 16 8.601 -1.918 9.155 1.00 0.00 O ATOM 244 CB GLN A 16 6.116 -1.266 11.234 1.00 0.00 C ATOM 245 CG GLN A 16 4.791 -1.791 10.659 1.00 0.00 C ATOM 246 CD GLN A 16 4.026 -2.626 11.680 1.00 0.00 C ATOM 247 OE1 GLN A 16 4.065 -3.851 11.645 1.00 0.00 O ATOM 248 NE2 GLN A 16 3.326 -1.977 12.605 1.00 0.00 N ATOM 0 H GLN A 16 5.379 0.830 10.253 1.00 0.00 H new ATOM 0 HA GLN A 16 7.878 -0.146 10.738 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.689 -2.108 11.622 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.898 -0.612 12.079 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.174 -0.951 10.340 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.992 -2.393 9.773 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.311 -0.957 12.611 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.804 -2.499 13.309 1.00 0.00 H new ATOM 257 N CYS A 17 6.671 -1.534 8.037 1.00 0.00 N ATOM 258 CA CYS A 17 6.944 -2.302 6.837 1.00 0.00 C ATOM 259 C CYS A 17 7.186 -1.407 5.609 1.00 0.00 C ATOM 260 O CYS A 17 7.800 -1.862 4.653 1.00 0.00 O ATOM 261 CB CYS A 17 5.786 -3.225 6.573 1.00 0.00 C ATOM 262 SG CYS A 17 5.535 -4.440 7.904 1.00 0.00 S ATOM 0 H CYS A 17 5.753 -1.091 8.013 1.00 0.00 H new ATOM 0 HA CYS A 17 7.859 -2.870 7.004 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.878 -2.635 6.450 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.954 -3.752 5.634 1.00 0.00 H new ATOM 267 N HIS A 18 6.678 -0.165 5.587 1.00 0.00 N ATOM 268 CA HIS A 18 6.660 0.689 4.397 1.00 0.00 C ATOM 269 C HIS A 18 7.220 2.082 4.670 1.00 0.00 C ATOM 270 O HIS A 18 6.448 3.018 4.880 1.00 0.00 O ATOM 271 CB HIS A 18 5.211 0.852 3.927 1.00 0.00 C ATOM 272 CG HIS A 18 4.637 -0.369 3.288 1.00 0.00 C ATOM 273 ND1 HIS A 18 4.781 -0.681 1.963 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.640 -1.148 3.803 1.00 0.00 C ATOM 275 CE1 HIS A 18 3.885 -1.631 1.683 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.196 -1.990 2.771 1.00 0.00 N ATOM 0 H HIS A 18 6.264 0.277 6.408 1.00 0.00 H new ATOM 0 HA HIS A 18 7.284 0.209 3.643 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.592 1.127 4.781 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.161 1.678 3.218 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.447 -0.266 1.312 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.264 -1.121 4.815 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.736 -2.056 0.701 1.00 0.00 H new ATOM 284 N THR A 19 8.535 2.288 4.602 1.00 0.00 N ATOM 285 CA THR A 19 9.095 3.594 4.936 1.00 0.00 C ATOM 286 C THR A 19 8.990 4.622 3.785 1.00 0.00 C ATOM 287 O THR A 19 9.968 5.285 3.435 1.00 0.00 O ATOM 288 CB THR A 19 10.498 3.437 5.545 1.00 0.00 C ATOM 289 OG1 THR A 19 11.525 3.134 4.614 1.00 0.00 O ATOM 290 CG2 THR A 19 10.531 2.407 6.680 1.00 0.00 C ATOM 0 H THR A 19 9.218 1.583 4.325 1.00 0.00 H new ATOM 0 HA THR A 19 8.474 4.041 5.713 1.00 0.00 H new ATOM 0 HB THR A 19 10.710 4.430 5.941 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.529 2.171 4.433 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.544 2.334 7.076 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.853 2.719 7.474 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.220 1.435 6.298 1.00 0.00 H new ATOM 298 N VAL A 20 7.789 4.806 3.210 1.00 0.00 N ATOM 299 CA VAL A 20 7.502 5.772 2.160 1.00 0.00 C ATOM 300 C VAL A 20 7.492 7.207 2.712 1.00 0.00 C ATOM 301 O VAL A 20 6.459 7.872 2.758 1.00 0.00 O ATOM 302 CB VAL A 20 6.216 5.369 1.422 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.924 5.562 2.223 1.00 0.00 C ATOM 304 CG2 VAL A 20 6.142 6.114 0.087 1.00 0.00 C ATOM 0 H VAL A 20 6.969 4.262 3.480 1.00 0.00 H new ATOM 0 HA VAL A 20 8.301 5.763 1.418 1.00 0.00 H new ATOM 0 HB VAL A 20 6.283 4.293 1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.072 5.250 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.965 4.960 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.815 6.613 2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.230 5.830 -0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.135 7.189 0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.008 5.855 -0.523 1.00 0.00 H new ATOM 314 N GLU A 21 8.667 7.678 3.120 1.00 0.00 N ATOM 315 CA GLU A 21 8.956 9.050 3.497 1.00 0.00 C ATOM 316 C GLU A 21 10.480 9.131 3.539 1.00 0.00 C ATOM 317 O GLU A 21 11.079 9.489 4.547 1.00 0.00 O ATOM 318 CB GLU A 21 8.259 9.435 4.819 1.00 0.00 C ATOM 319 CG GLU A 21 7.987 10.945 4.926 1.00 0.00 C ATOM 320 CD GLU A 21 9.223 11.759 5.275 1.00 0.00 C ATOM 321 OE1 GLU A 21 9.904 12.196 4.321 1.00 0.00 O ATOM 322 OE2 GLU A 21 9.450 11.969 6.485 1.00 0.00 O ATOM 0 H GLU A 21 9.486 7.075 3.199 1.00 0.00 H new ATOM 0 HA GLU A 21 8.562 9.779 2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.317 8.893 4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.880 9.121 5.658 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.582 11.302 3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.223 11.116 5.684 1.00 0.00 H new ATOM 329 N LYS A 22 11.094 8.718 2.418 1.00 0.00 N ATOM 330 CA LYS A 22 12.516 8.834 2.118 1.00 0.00 C ATOM 331 C LYS A 22 13.415 8.639 3.348 1.00 0.00 C ATOM 332 O LYS A 22 14.319 9.432 3.603 1.00 0.00 O ATOM 333 CB LYS A 22 12.751 10.143 1.344 1.00 0.00 C ATOM 334 CG LYS A 22 11.972 11.341 1.912 1.00 0.00 C ATOM 335 CD LYS A 22 12.308 12.633 1.153 1.00 0.00 C ATOM 336 CE LYS A 22 11.178 13.670 1.267 1.00 0.00 C ATOM 337 NZ LYS A 22 10.809 13.961 2.666 1.00 0.00 N ATOM 0 H LYS A 22 10.577 8.271 1.661 1.00 0.00 H new ATOM 0 HA LYS A 22 12.820 8.009 1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.816 10.375 1.354 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.466 9.996 0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.902 11.146 1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.210 11.465 2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.232 13.057 1.547 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.486 12.402 0.103 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.488 14.594 0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.301 13.305 0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.253 14.839 2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.242 13.176 3.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.671 14.073 3.236 1.00 0.00 H new ATOM 351 N GLY A 23 13.150 7.561 4.096 1.00 0.00 N ATOM 352 CA GLY A 23 13.770 7.293 5.383 1.00 0.00 C ATOM 353 C GLY A 23 14.686 6.080 5.296 1.00 0.00 C ATOM 354 O GLY A 23 15.884 6.186 5.553 1.00 0.00 O ATOM 0 H GLY A 23 12.485 6.842 3.811 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.341 8.164 5.706 1.00 0.00 H new ATOM 0 HA3 GLY A 23 13.000 7.120 6.135 1.00 0.00 H new ATOM 358 N GLY A 24 14.121 4.918 4.953 1.00 0.00 N ATOM 359 CA GLY A 24 14.851 3.665 4.867 1.00 0.00 C ATOM 360 C GLY A 24 14.687 3.039 3.487 1.00 0.00 C ATOM 361 O GLY A 24 14.389 3.720 2.508 1.00 0.00 O ATOM 0 H GLY A 24 13.131 4.828 4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.908 3.840 5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.490 2.975 5.630 1.00 0.00 H new ATOM 365 N LYS A 25 14.900 1.723 3.420 1.00 0.00 N ATOM 366 CA LYS A 25 14.532 0.908 2.273 1.00 0.00 C ATOM 367 C LYS A 25 13.105 0.389 2.489 1.00 0.00 C ATOM 368 O LYS A 25 12.433 0.776 3.446 1.00 0.00 O ATOM 369 CB LYS A 25 15.548 -0.244 2.115 1.00 0.00 C ATOM 370 CG LYS A 25 16.792 0.139 1.299 1.00 0.00 C ATOM 371 CD LYS A 25 17.819 0.959 2.089 1.00 0.00 C ATOM 372 CE LYS A 25 19.070 1.169 1.219 1.00 0.00 C ATOM 373 NZ LYS A 25 20.161 1.849 1.947 1.00 0.00 N ATOM 0 H LYS A 25 15.338 1.192 4.173 1.00 0.00 H new ATOM 0 HA LYS A 25 14.554 1.491 1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.862 -0.579 3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.055 -1.089 1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.270 -0.770 0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.480 0.709 0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.393 1.921 2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.084 0.442 3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.425 0.203 0.860 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.803 1.757 0.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.979 1.966 1.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.835 2.783 2.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 20.438 1.277 2.771 1.00 0.00 H new ATOM 387 N HIS A 26 12.684 -0.511 1.594 1.00 0.00 N ATOM 388 CA HIS A 26 11.455 -1.288 1.655 1.00 0.00 C ATOM 389 C HIS A 26 11.231 -1.817 3.084 1.00 0.00 C ATOM 390 O HIS A 26 10.460 -1.250 3.847 1.00 0.00 O ATOM 391 CB HIS A 26 11.515 -2.421 0.597 1.00 0.00 C ATOM 392 CG HIS A 26 12.204 -2.065 -0.701 1.00 0.00 C ATOM 393 ND1 HIS A 26 13.532 -2.305 -0.987 1.00 0.00 N ATOM 394 CD2 HIS A 26 11.644 -1.495 -1.814 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.764 -1.877 -2.240 1.00 0.00 C ATOM 396 NE2 HIS A 26 12.641 -1.392 -2.788 1.00 0.00 N ATOM 0 H HIS A 26 13.230 -0.725 0.759 1.00 0.00 H new ATOM 0 HA HIS A 26 10.596 -0.660 1.418 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.026 -3.278 1.036 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.497 -2.738 0.372 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.616 -1.181 -1.920 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.722 -1.918 -2.736 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.535 -1.020 -3.732 1.00 0.00 H new ATOM 404 N LYS A 27 11.974 -2.870 3.454 1.00 0.00 N ATOM 405 CA LYS A 27 11.892 -3.572 4.730 1.00 0.00 C ATOM 406 C LYS A 27 10.516 -4.220 4.931 1.00 0.00 C ATOM 407 O LYS A 27 9.746 -3.809 5.788 1.00 0.00 O ATOM 408 CB LYS A 27 12.346 -2.674 5.897 1.00 0.00 C ATOM 409 CG LYS A 27 12.272 -3.412 7.246 1.00 0.00 C ATOM 410 CD LYS A 27 13.338 -3.004 8.273 1.00 0.00 C ATOM 411 CE LYS A 27 14.721 -3.622 7.996 1.00 0.00 C ATOM 412 NZ LYS A 27 15.595 -2.745 7.193 1.00 0.00 N ATOM 0 H LYS A 27 12.681 -3.270 2.837 1.00 0.00 H new ATOM 0 HA LYS A 27 12.598 -4.402 4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.368 -2.338 5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.720 -1.783 5.935 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.287 -3.242 7.681 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.359 -4.483 7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.428 -1.918 8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.007 -3.303 9.268 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.210 -3.843 8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.591 -4.571 7.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.590 -2.956 7.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.417 -2.910 6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.394 -1.751 7.422 1.00 0.00 H new ATOM 426 N THR A 28 10.252 -5.292 4.178 1.00 0.00 N ATOM 427 CA THR A 28 9.071 -6.139 4.345 1.00 0.00 C ATOM 428 C THR A 28 7.800 -5.440 3.854 1.00 0.00 C ATOM 429 O THR A 28 6.697 -5.850 4.195 1.00 0.00 O ATOM 430 CB THR A 28 8.969 -6.669 5.796 1.00 0.00 C ATOM 431 OG1 THR A 28 10.258 -7.095 6.209 1.00 0.00 O ATOM 432 CG2 THR A 28 8.016 -7.864 5.950 1.00 0.00 C ATOM 0 H THR A 28 10.865 -5.599 3.423 1.00 0.00 H new ATOM 0 HA THR A 28 9.183 -7.017 3.709 1.00 0.00 H new ATOM 0 HB THR A 28 8.576 -5.852 6.402 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.212 -7.433 7.128 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.996 -8.181 6.993 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.013 -7.572 5.640 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.363 -8.688 5.327 1.00 0.00 H new ATOM 440 N GLY A 29 7.943 -4.438 2.988 1.00 0.00 N ATOM 441 CA GLY A 29 6.856 -3.719 2.366 1.00 0.00 C ATOM 442 C GLY A 29 7.529 -2.728 1.421 1.00 0.00 C ATOM 443 O GLY A 29 8.516 -2.103 1.800 1.00 0.00 O ATOM 0 H GLY A 29 8.860 -4.099 2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.195 -4.395 1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.247 -3.205 3.109 1.00 0.00 H new ATOM 447 N PRO A 30 7.112 -2.631 0.158 1.00 0.00 N ATOM 448 CA PRO A 30 7.768 -1.755 -0.798 1.00 0.00 C ATOM 449 C PRO A 30 7.527 -0.297 -0.417 1.00 0.00 C ATOM 450 O PRO A 30 6.398 0.076 -0.110 1.00 0.00 O ATOM 451 CB PRO A 30 7.176 -2.093 -2.167 1.00 0.00 C ATOM 452 CG PRO A 30 5.859 -2.788 -1.828 1.00 0.00 C ATOM 453 CD PRO A 30 6.043 -3.395 -0.445 1.00 0.00 C ATOM 0 HA PRO A 30 8.849 -1.898 -0.811 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.014 -1.197 -2.766 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.837 -2.744 -2.740 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.032 -2.079 -1.835 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.625 -3.558 -2.563 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.127 -3.325 0.142 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.300 -4.452 -0.509 1.00 0.00 H new ATOM 461 N ASN A 31 8.559 0.551 -0.459 1.00 0.00 N ATOM 462 CA ASN A 31 8.338 1.988 -0.371 1.00 0.00 C ATOM 463 C ASN A 31 7.402 2.405 -1.510 1.00 0.00 C ATOM 464 O ASN A 31 7.710 2.200 -2.683 1.00 0.00 O ATOM 465 CB ASN A 31 9.665 2.760 -0.399 1.00 0.00 C ATOM 466 CG ASN A 31 10.441 2.558 -1.697 1.00 0.00 C ATOM 467 OD1 ASN A 31 10.802 1.434 -2.025 1.00 0.00 O ATOM 468 ND2 ASN A 31 10.725 3.631 -2.429 1.00 0.00 N ATOM 0 H ASN A 31 9.535 0.270 -0.552 1.00 0.00 H new ATOM 0 HA ASN A 31 7.869 2.233 0.582 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.464 3.823 -0.263 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.283 2.442 0.441 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.259 3.533 -3.293 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.409 4.553 -2.127 1.00 0.00 H new ATOM 475 N LEU A 32 6.234 2.942 -1.158 1.00 0.00 N ATOM 476 CA LEU A 32 5.100 3.159 -2.049 1.00 0.00 C ATOM 477 C LEU A 32 5.316 4.392 -2.938 1.00 0.00 C ATOM 478 O LEU A 32 4.475 5.290 -2.995 1.00 0.00 O ATOM 479 CB LEU A 32 3.826 3.284 -1.192 1.00 0.00 C ATOM 480 CG LEU A 32 3.594 2.107 -0.225 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.413 2.421 0.697 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.325 0.813 -1.000 1.00 0.00 C ATOM 0 H LEU A 32 6.047 3.250 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 32 4.995 2.312 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.879 4.208 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.964 3.371 -1.854 1.00 0.00 H new ATOM 0 HG LEU A 32 4.493 1.967 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.252 1.586 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.629 3.322 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.516 2.578 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.164 -0.005 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.438 0.938 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.182 0.584 -1.634 1.00 0.00 H new ATOM 494 N HIS A 33 6.447 4.441 -3.645 1.00 0.00 N ATOM 495 CA HIS A 33 6.872 5.578 -4.445 1.00 0.00 C ATOM 496 C HIS A 33 6.097 5.614 -5.767 1.00 0.00 C ATOM 497 O HIS A 33 6.649 5.394 -6.846 1.00 0.00 O ATOM 498 CB HIS A 33 8.393 5.508 -4.636 1.00 0.00 C ATOM 499 CG HIS A 33 8.968 6.669 -5.408 1.00 0.00 C ATOM 500 ND1 HIS A 33 8.758 8.008 -5.155 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.764 6.577 -6.519 1.00 0.00 C ATOM 502 CE1 HIS A 33 9.419 8.703 -6.097 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.044 7.876 -6.953 1.00 0.00 N ATOM 0 H HIS A 33 7.108 3.665 -3.674 1.00 0.00 H new ATOM 0 HA HIS A 33 6.647 6.515 -3.936 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.870 5.464 -3.657 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.642 4.582 -5.154 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.113 5.664 -6.978 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.444 9.781 -6.158 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.610 8.143 -7.759 1.00 0.00 H new ATOM 511 N GLY A 34 4.798 5.900 -5.673 1.00 0.00 N ATOM 512 CA GLY A 34 3.929 6.101 -6.817 1.00 0.00 C ATOM 513 C GLY A 34 2.580 5.429 -6.605 1.00 0.00 C ATOM 514 O GLY A 34 1.577 6.121 -6.452 1.00 0.00 O ATOM 0 H GLY A 34 4.318 5.999 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.785 7.168 -6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.403 5.699 -7.712 1.00 0.00 H new ATOM 518 N LEU A 35 2.556 4.091 -6.633 1.00 0.00 N ATOM 519 CA LEU A 35 1.357 3.264 -6.711 1.00 0.00 C ATOM 520 C LEU A 35 0.492 3.658 -7.914 1.00 0.00 C ATOM 521 O LEU A 35 0.547 3.026 -8.968 1.00 0.00 O ATOM 522 CB LEU A 35 0.567 3.343 -5.398 1.00 0.00 C ATOM 523 CG LEU A 35 1.158 2.529 -4.243 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.494 3.028 -2.955 1.00 0.00 C ATOM 525 CD2 LEU A 35 0.883 1.030 -4.425 1.00 0.00 C ATOM 0 H LEU A 35 3.411 3.536 -6.600 1.00 0.00 H new ATOM 0 HA LEU A 35 1.661 2.228 -6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.502 4.387 -5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.451 3.000 -5.582 1.00 0.00 H new ATOM 0 HG LEU A 35 2.240 2.659 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.888 2.472 -2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.705 4.089 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.584 2.877 -3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.314 0.477 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.193 0.859 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.332 0.688 -5.357 1.00 0.00 H new ATOM 537 N PHE A 36 -0.290 4.721 -7.733 1.00 0.00 N ATOM 538 CA PHE A 36 -1.228 5.272 -8.688 1.00 0.00 C ATOM 539 C PHE A 36 -0.531 5.524 -10.018 1.00 0.00 C ATOM 540 O PHE A 36 0.289 6.434 -10.126 1.00 0.00 O ATOM 541 CB PHE A 36 -1.842 6.545 -8.095 1.00 0.00 C ATOM 542 CG PHE A 36 -2.615 6.277 -6.816 1.00 0.00 C ATOM 543 CD1 PHE A 36 -3.890 5.688 -6.891 1.00 0.00 C ATOM 544 CD2 PHE A 36 -1.994 6.417 -5.561 1.00 0.00 C ATOM 545 CE1 PHE A 36 -4.546 5.281 -5.719 1.00 0.00 C ATOM 546 CE2 PHE A 36 -2.666 6.030 -4.390 1.00 0.00 C ATOM 547 CZ PHE A 36 -3.967 5.513 -4.465 1.00 0.00 C ATOM 0 H PHE A 36 -0.279 5.247 -6.859 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.036 4.567 -8.886 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.050 7.266 -7.893 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.507 7.000 -8.829 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.365 5.549 -7.851 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.996 6.824 -5.498 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.503 4.786 -5.784 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.180 6.131 -3.431 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.519 5.295 -3.562 1.00 0.00 H new ATOM 557 N GLY A 37 -0.856 4.713 -11.026 1.00 0.00 N ATOM 558 CA GLY A 37 -0.308 4.890 -12.360 1.00 0.00 C ATOM 559 C GLY A 37 1.088 4.284 -12.484 1.00 0.00 C ATOM 560 O GLY A 37 1.951 4.861 -13.142 1.00 0.00 O ATOM 0 H GLY A 37 -1.499 3.926 -10.937 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.972 4.427 -13.090 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.265 5.953 -12.597 1.00 0.00 H new ATOM 564 N ARG A 38 1.315 3.115 -11.876 1.00 0.00 N ATOM 565 CA ARG A 38 2.576 2.400 -11.954 1.00 0.00 C ATOM 566 C ARG A 38 2.282 0.923 -12.238 1.00 0.00 C ATOM 567 O ARG A 38 1.555 0.287 -11.476 1.00 0.00 O ATOM 568 CB ARG A 38 3.340 2.639 -10.641 1.00 0.00 C ATOM 569 CG ARG A 38 4.853 2.683 -10.868 1.00 0.00 C ATOM 570 CD ARG A 38 5.559 3.394 -9.703 1.00 0.00 C ATOM 571 NE ARG A 38 5.621 4.855 -9.908 1.00 0.00 N ATOM 572 CZ ARG A 38 6.695 5.558 -10.309 1.00 0.00 C ATOM 573 NH1 ARG A 38 7.785 4.923 -10.756 1.00 0.00 N ATOM 574 NH2 ARG A 38 6.672 6.896 -10.285 1.00 0.00 N ATOM 0 H ARG A 38 0.613 2.639 -11.310 1.00 0.00 H new ATOM 0 HA ARG A 38 3.210 2.755 -12.766 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.011 3.577 -10.194 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.101 1.847 -9.931 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.240 1.669 -10.969 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.070 3.202 -11.802 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.032 3.180 -8.773 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.569 2.999 -9.595 1.00 0.00 H new ATOM 0 HE ARG A 38 4.766 5.382 -9.728 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.802 3.904 -10.793 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.598 5.458 -11.060 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.838 7.386 -9.962 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.489 7.426 -10.590 1.00 0.00 H new ATOM 588 N LYS A 39 2.798 0.402 -13.363 1.00 0.00 N ATOM 589 CA LYS A 39 2.559 -0.967 -13.809 1.00 0.00 C ATOM 590 C LYS A 39 2.909 -1.945 -12.685 1.00 0.00 C ATOM 591 O LYS A 39 4.085 -2.150 -12.389 1.00 0.00 O ATOM 592 CB LYS A 39 3.400 -1.310 -15.053 1.00 0.00 C ATOM 593 CG LYS A 39 3.085 -0.519 -16.333 1.00 0.00 C ATOM 594 CD LYS A 39 3.924 0.764 -16.482 1.00 0.00 C ATOM 595 CE LYS A 39 4.203 1.107 -17.956 1.00 0.00 C ATOM 596 NZ LYS A 39 5.212 0.211 -18.568 1.00 0.00 N ATOM 0 H LYS A 39 3.400 0.933 -13.992 1.00 0.00 H new ATOM 0 HA LYS A 39 1.504 -1.053 -14.070 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.451 -1.157 -14.807 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.274 -2.371 -15.268 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.257 -1.159 -17.198 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.027 -0.255 -16.337 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.401 1.595 -16.010 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.870 0.641 -15.954 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.274 1.042 -18.522 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.548 2.139 -18.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.463 0.565 -19.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.063 0.186 -17.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.819 -0.748 -18.651 1.00 0.00 H new ATOM 610 N THR A 40 1.906 -2.542 -12.045 1.00 0.00 N ATOM 611 CA THR A 40 2.123 -3.478 -10.972 1.00 0.00 C ATOM 612 C THR A 40 2.685 -4.788 -11.532 1.00 0.00 C ATOM 613 O THR A 40 2.525 -5.088 -12.714 1.00 0.00 O ATOM 614 CB THR A 40 0.760 -3.651 -10.323 1.00 0.00 C ATOM 615 OG1 THR A 40 0.203 -2.367 -10.071 1.00 0.00 O ATOM 616 CG2 THR A 40 0.844 -4.485 -9.058 1.00 0.00 C ATOM 0 H THR A 40 0.923 -2.382 -12.265 1.00 0.00 H new ATOM 0 HA THR A 40 2.853 -3.135 -10.239 1.00 0.00 H new ATOM 0 HB THR A 40 0.106 -4.196 -11.004 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.076 -2.249 -9.106 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.150 -4.587 -8.623 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.237 -5.473 -9.299 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.505 -3.996 -8.343 1.00 0.00 H new ATOM 624 N GLY A 41 3.335 -5.579 -10.677 1.00 0.00 N ATOM 625 CA GLY A 41 3.931 -6.849 -11.064 1.00 0.00 C ATOM 626 C GLY A 41 5.382 -6.682 -11.534 1.00 0.00 C ATOM 627 O GLY A 41 5.934 -7.545 -12.226 1.00 0.00 O ATOM 0 H GLY A 41 3.461 -5.351 -9.691 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.900 -7.537 -10.219 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.341 -7.299 -11.862 1.00 0.00 H new ATOM 631 N GLN A 42 6.021 -5.572 -11.148 1.00 0.00 N ATOM 632 CA GLN A 42 7.296 -5.143 -11.698 1.00 0.00 C ATOM 633 C GLN A 42 7.929 -4.114 -10.755 1.00 0.00 C ATOM 634 O GLN A 42 7.645 -2.925 -10.847 1.00 0.00 O ATOM 635 CB GLN A 42 7.063 -4.567 -13.105 1.00 0.00 C ATOM 636 CG GLN A 42 8.377 -4.189 -13.799 1.00 0.00 C ATOM 637 CD GLN A 42 8.120 -3.510 -15.142 1.00 0.00 C ATOM 638 OE1 GLN A 42 7.858 -2.313 -15.205 1.00 0.00 O ATOM 639 NE2 GLN A 42 8.201 -4.259 -16.237 1.00 0.00 N ATOM 0 H GLN A 42 5.655 -4.942 -10.434 1.00 0.00 H new ATOM 0 HA GLN A 42 7.985 -5.983 -11.786 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.531 -5.299 -13.712 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.425 -3.686 -13.034 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.952 -3.522 -13.156 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.981 -5.084 -13.951 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.420 -5.252 -16.160 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.044 -3.841 -17.154 1.00 0.00 H new ATOM 648 N ALA A 43 8.806 -4.576 -9.863 1.00 0.00 N ATOM 649 CA ALA A 43 9.637 -3.727 -9.012 1.00 0.00 C ATOM 650 C ALA A 43 11.088 -4.215 -9.105 1.00 0.00 C ATOM 651 O ALA A 43 11.466 -5.109 -8.352 1.00 0.00 O ATOM 652 CB ALA A 43 9.114 -3.782 -7.573 1.00 0.00 C ATOM 0 H ALA A 43 8.961 -5.572 -9.710 1.00 0.00 H new ATOM 0 HA ALA A 43 9.597 -2.689 -9.341 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.733 -3.149 -6.937 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.084 -3.427 -7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.153 -4.809 -7.211 1.00 0.00 H new ATOM 658 N PRO A 44 11.909 -3.684 -10.026 1.00 0.00 N ATOM 659 CA PRO A 44 13.264 -4.172 -10.241 1.00 0.00 C ATOM 660 C PRO A 44 14.182 -3.783 -9.073 1.00 0.00 C ATOM 661 O PRO A 44 14.991 -2.865 -9.180 1.00 0.00 O ATOM 662 CB PRO A 44 13.695 -3.575 -11.588 1.00 0.00 C ATOM 663 CG PRO A 44 12.889 -2.280 -11.674 1.00 0.00 C ATOM 664 CD PRO A 44 11.576 -2.638 -10.980 1.00 0.00 C ATOM 0 HA PRO A 44 13.322 -5.260 -10.275 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.768 -3.384 -11.618 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.467 -4.246 -12.416 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.397 -1.456 -11.173 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.728 -1.974 -12.708 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.150 -1.770 -10.477 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.835 -2.986 -11.700 1.00 0.00 H new ATOM 672 N GLY A 45 14.056 -4.499 -7.952 1.00 0.00 N ATOM 673 CA GLY A 45 14.895 -4.335 -6.777 1.00 0.00 C ATOM 674 C GLY A 45 14.513 -5.362 -5.713 1.00 0.00 C ATOM 675 O GLY A 45 15.184 -6.377 -5.553 1.00 0.00 O ATOM 0 H GLY A 45 13.348 -5.225 -7.841 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.944 -4.455 -7.050 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.783 -3.327 -6.378 1.00 0.00 H new ATOM 679 N PHE A 46 13.424 -5.091 -4.987 1.00 0.00 N ATOM 680 CA PHE A 46 12.912 -5.931 -3.903 1.00 0.00 C ATOM 681 C PHE A 46 11.782 -6.823 -4.418 1.00 0.00 C ATOM 682 O PHE A 46 11.808 -8.035 -4.223 1.00 0.00 O ATOM 683 CB PHE A 46 12.482 -5.019 -2.740 1.00 0.00 C ATOM 684 CG PHE A 46 11.308 -5.450 -1.875 1.00 0.00 C ATOM 685 CD1 PHE A 46 11.345 -6.620 -1.087 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.124 -4.695 -1.925 1.00 0.00 C ATOM 687 CE1 PHE A 46 10.201 -7.013 -0.358 1.00 0.00 C ATOM 688 CE2 PHE A 46 8.990 -5.107 -1.221 1.00 0.00 C ATOM 689 CZ PHE A 46 9.038 -6.230 -0.387 1.00 0.00 C ATOM 0 H PHE A 46 12.859 -4.256 -5.143 1.00 0.00 H new ATOM 0 HA PHE A 46 13.684 -6.604 -3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.344 -4.887 -2.086 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.245 -4.040 -3.157 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.246 -7.214 -1.041 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.090 -3.789 -2.512 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.222 -7.922 0.225 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.068 -4.554 -1.321 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.189 -6.491 0.227 1.00 0.00 H new ATOM 699 N THR A 47 10.804 -6.207 -5.086 1.00 0.00 N ATOM 700 CA THR A 47 9.553 -6.828 -5.489 1.00 0.00 C ATOM 701 C THR A 47 8.888 -7.654 -4.390 1.00 0.00 C ATOM 702 O THR A 47 9.067 -7.385 -3.209 1.00 0.00 O ATOM 703 CB THR A 47 9.641 -7.499 -6.866 1.00 0.00 C ATOM 704 OG1 THR A 47 8.336 -7.635 -7.393 1.00 0.00 O ATOM 705 CG2 THR A 47 10.370 -8.842 -6.868 1.00 0.00 C ATOM 0 H THR A 47 10.869 -5.229 -5.368 1.00 0.00 H new ATOM 0 HA THR A 47 8.841 -6.015 -5.636 1.00 0.00 H new ATOM 0 HB THR A 47 10.248 -6.850 -7.497 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.168 -6.917 -8.039 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.386 -9.246 -7.880 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.392 -8.702 -6.517 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.852 -9.538 -6.208 1.00 0.00 H new ATOM 713 N TYR A 48 8.007 -8.569 -4.781 1.00 0.00 N ATOM 714 CA TYR A 48 7.007 -9.111 -3.886 1.00 0.00 C ATOM 715 C TYR A 48 6.638 -10.536 -4.276 1.00 0.00 C ATOM 716 O TYR A 48 7.145 -11.063 -5.267 1.00 0.00 O ATOM 717 CB TYR A 48 5.788 -8.181 -3.860 1.00 0.00 C ATOM 718 CG TYR A 48 5.704 -7.079 -4.897 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.242 -5.810 -4.629 1.00 0.00 C ATOM 720 CD2 TYR A 48 4.951 -7.286 -6.061 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.150 -4.792 -5.597 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.702 -6.216 -6.930 1.00 0.00 C ATOM 723 CZ TYR A 48 5.363 -4.995 -6.747 1.00 0.00 C ATOM 724 OH TYR A 48 5.441 -4.134 -7.800 1.00 0.00 O ATOM 0 H TYR A 48 7.971 -8.951 -5.726 1.00 0.00 H new ATOM 0 HA TYR A 48 7.415 -9.164 -2.877 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.896 -8.799 -3.959 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.746 -7.715 -2.875 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.725 -5.615 -3.683 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.564 -8.268 -6.287 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.680 -3.861 -5.459 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.000 -6.333 -7.742 1.00 0.00 H new ATOM 0 HH TYR A 48 4.830 -4.427 -8.508 1.00 0.00 H new ATOM 734 N THR A 49 5.764 -11.154 -3.478 1.00 0.00 N ATOM 735 CA THR A 49 5.282 -12.504 -3.728 1.00 0.00 C ATOM 736 C THR A 49 4.683 -12.575 -5.126 1.00 0.00 C ATOM 737 O THR A 49 3.979 -11.648 -5.509 1.00 0.00 O ATOM 738 CB THR A 49 4.223 -12.905 -2.693 1.00 0.00 C ATOM 739 OG1 THR A 49 3.138 -11.995 -2.645 1.00 0.00 O ATOM 740 CG2 THR A 49 4.828 -13.013 -1.299 1.00 0.00 C ATOM 0 H THR A 49 5.373 -10.726 -2.639 1.00 0.00 H new ATOM 0 HA THR A 49 6.121 -13.195 -3.648 1.00 0.00 H new ATOM 0 HB THR A 49 3.848 -13.877 -3.013 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.428 -11.162 -2.217 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.053 -13.299 -0.587 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.615 -13.767 -1.301 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.249 -12.050 -1.010 1.00 0.00 H new ATOM 748 N ASP A 50 4.936 -13.662 -5.865 1.00 0.00 N ATOM 749 CA ASP A 50 4.334 -13.992 -7.160 1.00 0.00 C ATOM 750 C ASP A 50 2.859 -13.594 -7.221 1.00 0.00 C ATOM 751 O ASP A 50 2.412 -13.017 -8.200 1.00 0.00 O ATOM 752 CB ASP A 50 4.514 -15.492 -7.434 1.00 0.00 C ATOM 753 CG ASP A 50 3.670 -16.369 -6.515 1.00 0.00 C ATOM 754 OD1 ASP A 50 3.533 -15.978 -5.331 1.00 0.00 O ATOM 755 OD2 ASP A 50 3.156 -17.387 -7.018 1.00 0.00 O ATOM 0 H ASP A 50 5.601 -14.372 -5.558 1.00 0.00 H new ATOM 0 HA ASP A 50 4.843 -13.419 -7.935 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.250 -15.701 -8.471 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.565 -15.755 -7.314 1.00 0.00 H new ATOM 760 N ALA A 51 2.106 -13.855 -6.162 1.00 0.00 N ATOM 761 CA ALA A 51 0.698 -13.514 -6.057 1.00 0.00 C ATOM 762 C ALA A 51 0.396 -12.041 -6.398 1.00 0.00 C ATOM 763 O ALA A 51 -0.639 -11.751 -7.016 1.00 0.00 O ATOM 764 CB ALA A 51 0.243 -13.911 -4.650 1.00 0.00 C ATOM 0 H ALA A 51 2.469 -14.322 -5.331 1.00 0.00 H new ATOM 0 HA ALA A 51 0.128 -14.066 -6.805 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.813 -13.671 -4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.391 -14.982 -4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.827 -13.363 -3.911 1.00 0.00 H new ATOM 770 N ASN A 52 1.293 -11.123 -6.013 1.00 0.00 N ATOM 771 CA ASN A 52 1.266 -9.717 -6.423 1.00 0.00 C ATOM 772 C ASN A 52 2.123 -9.505 -7.681 1.00 0.00 C ATOM 773 O ASN A 52 1.751 -8.782 -8.601 1.00 0.00 O ATOM 774 CB ASN A 52 1.750 -8.836 -5.265 1.00 0.00 C ATOM 775 CG ASN A 52 1.652 -7.331 -5.540 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.395 -6.887 -6.653 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.866 -6.515 -4.517 1.00 0.00 N ATOM 0 H ASN A 52 2.073 -11.344 -5.395 1.00 0.00 H new ATOM 0 HA ASN A 52 0.243 -9.433 -6.671 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.166 -9.071 -4.375 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.787 -9.087 -5.041 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.818 -5.505 -4.651 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.079 -6.897 -3.596 1.00 0.00 H new ATOM 784 N LYS A 53 3.269 -10.175 -7.768 1.00 0.00 N ATOM 785 CA LYS A 53 4.224 -10.033 -8.856 1.00 0.00 C ATOM 786 C LYS A 53 3.588 -10.389 -10.208 1.00 0.00 C ATOM 787 O LYS A 53 4.039 -9.927 -11.254 1.00 0.00 O ATOM 788 CB LYS A 53 5.493 -10.858 -8.566 1.00 0.00 C ATOM 789 CG LYS A 53 6.739 -9.973 -8.462 1.00 0.00 C ATOM 790 CD LYS A 53 7.119 -9.339 -9.805 1.00 0.00 C ATOM 791 CE LYS A 53 7.843 -10.310 -10.740 1.00 0.00 C ATOM 792 NZ LYS A 53 7.956 -9.735 -12.095 1.00 0.00 N ATOM 0 H LYS A 53 3.564 -10.850 -7.062 1.00 0.00 H new ATOM 0 HA LYS A 53 4.523 -8.987 -8.924 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.362 -11.411 -7.636 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.636 -11.594 -9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.562 -9.186 -7.729 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.575 -10.569 -8.095 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.217 -8.974 -10.297 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.756 -8.473 -9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.836 -10.530 -10.348 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.301 -11.255 -10.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.755 -10.471 -12.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.273 -8.958 -12.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.920 -9.371 -12.238 1.00 0.00 H new ATOM 806 N ASN A 54 2.542 -11.212 -10.167 1.00 0.00 N ATOM 807 CA ASN A 54 1.756 -11.678 -11.291 1.00 0.00 C ATOM 808 C ASN A 54 0.605 -10.712 -11.617 1.00 0.00 C ATOM 809 O ASN A 54 0.048 -10.775 -12.707 1.00 0.00 O ATOM 810 CB ASN A 54 1.185 -13.059 -10.939 1.00 0.00 C ATOM 811 CG ASN A 54 0.484 -13.711 -12.125 1.00 0.00 C ATOM 812 OD1 ASN A 54 -0.737 -13.806 -12.158 1.00 0.00 O ATOM 813 ND2 ASN A 54 1.256 -14.191 -13.097 1.00 0.00 N ATOM 0 H ASN A 54 2.204 -11.593 -9.283 1.00 0.00 H new ATOM 0 HA ASN A 54 2.397 -11.734 -12.171 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.991 -13.707 -10.595 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.481 -12.959 -10.113 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.834 -14.655 -13.901 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.270 -14.095 -13.038 1.00 0.00 H new ATOM 820 N LYS A 55 0.208 -9.861 -10.658 1.00 0.00 N ATOM 821 CA LYS A 55 -1.067 -9.140 -10.667 1.00 0.00 C ATOM 822 C LYS A 55 -1.307 -8.347 -11.956 1.00 0.00 C ATOM 823 O LYS A 55 -2.412 -8.365 -12.492 1.00 0.00 O ATOM 824 CB LYS A 55 -1.167 -8.217 -9.438 1.00 0.00 C ATOM 825 CG LYS A 55 -2.589 -7.902 -8.939 1.00 0.00 C ATOM 826 CD LYS A 55 -3.127 -8.970 -7.974 1.00 0.00 C ATOM 827 CE LYS A 55 -3.922 -10.101 -8.641 1.00 0.00 C ATOM 828 NZ LYS A 55 -3.605 -11.410 -8.029 1.00 0.00 N ATOM 0 H LYS A 55 0.779 -9.653 -9.839 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.852 -9.895 -10.622 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.610 -8.674 -8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.671 -7.276 -9.675 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.588 -6.933 -8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.260 -7.819 -9.794 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.287 -9.406 -7.433 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.764 -8.484 -7.236 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.990 -9.902 -8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.694 -10.130 -9.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.886 -12.173 -8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.583 -11.470 -7.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.123 -11.509 -7.132 1.00 0.00 H new ATOM 842 N GLY A 56 -0.290 -7.618 -12.424 1.00 0.00 N ATOM 843 CA GLY A 56 -0.328 -6.929 -13.709 1.00 0.00 C ATOM 844 C GLY A 56 -1.367 -5.804 -13.786 1.00 0.00 C ATOM 845 O GLY A 56 -1.848 -5.487 -14.872 1.00 0.00 O ATOM 0 H GLY A 56 0.586 -7.491 -11.917 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.658 -6.513 -13.915 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.537 -7.657 -14.493 1.00 0.00 H new ATOM 849 N ILE A 57 -1.703 -5.183 -12.650 1.00 0.00 N ATOM 850 CA ILE A 57 -2.583 -4.023 -12.587 1.00 0.00 C ATOM 851 C ILE A 57 -1.745 -2.733 -12.648 1.00 0.00 C ATOM 852 O ILE A 57 -0.703 -2.704 -13.299 1.00 0.00 O ATOM 853 CB ILE A 57 -3.499 -4.133 -11.353 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.699 -4.207 -10.046 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.444 -5.335 -11.486 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.479 -3.682 -8.846 1.00 0.00 C ATOM 0 H ILE A 57 -1.362 -5.482 -11.736 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.248 -3.988 -13.450 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.098 -3.223 -11.310 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.409 -5.241 -9.861 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.779 -3.633 -10.155 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.082 -5.395 -10.605 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.063 -5.214 -12.375 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.858 -6.250 -11.573 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.863 -3.759 -7.950 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.746 -2.639 -9.014 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.386 -4.272 -8.715 1.00 0.00 H new ATOM 868 N THR A 58 -2.199 -1.638 -12.026 1.00 0.00 N ATOM 869 CA THR A 58 -1.633 -0.309 -12.172 1.00 0.00 C ATOM 870 C THR A 58 -1.707 0.446 -10.835 1.00 0.00 C ATOM 871 O THR A 58 -1.778 1.677 -10.830 1.00 0.00 O ATOM 872 CB THR A 58 -2.472 0.400 -13.247 1.00 0.00 C ATOM 873 OG1 THR A 58 -2.973 -0.530 -14.199 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.653 1.464 -13.952 1.00 0.00 C ATOM 0 H THR A 58 -2.996 -1.663 -11.389 1.00 0.00 H new ATOM 0 HA THR A 58 -0.583 -0.349 -12.461 1.00 0.00 H new ATOM 0 HB THR A 58 -3.316 0.876 -12.747 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.220 -0.056 -15.020 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.266 1.953 -14.709 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.314 2.203 -13.226 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.789 1.001 -14.429 1.00 0.00 H new ATOM 882 N TRP A 59 -1.790 -0.312 -9.732 1.00 0.00 N ATOM 883 CA TRP A 59 -2.215 0.121 -8.403 1.00 0.00 C ATOM 884 C TRP A 59 -3.080 1.382 -8.409 1.00 0.00 C ATOM 885 O TRP A 59 -2.664 2.434 -7.933 1.00 0.00 O ATOM 886 CB TRP A 59 -1.002 0.221 -7.478 1.00 0.00 C ATOM 887 CG TRP A 59 -0.579 -1.094 -6.914 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.611 -1.694 -7.120 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.327 -1.976 -6.022 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.629 -2.899 -6.456 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.534 -3.128 -5.757 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.591 -1.915 -5.393 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.965 -4.160 -4.909 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -3.003 -2.911 -4.488 1.00 0.00 C ATOM 895 CH2 TRP A 59 -2.191 -4.029 -4.241 1.00 0.00 C ATOM 0 H TRP A 59 -1.546 -1.302 -9.750 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.883 -0.643 -8.006 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.169 0.657 -8.029 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.234 0.902 -6.659 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.421 -1.293 -7.712 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.415 -3.549 -6.479 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.253 -1.090 -5.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.360 -5.044 -4.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.951 -2.814 -3.980 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.509 -4.786 -3.539 1.00 0.00 H new ATOM 906 N LYS A 60 -4.303 1.259 -8.934 1.00 0.00 N ATOM 907 CA LYS A 60 -5.230 2.377 -9.027 1.00 0.00 C ATOM 908 C LYS A 60 -6.184 2.391 -7.825 1.00 0.00 C ATOM 909 O LYS A 60 -6.243 1.423 -7.053 1.00 0.00 O ATOM 910 CB LYS A 60 -5.977 2.347 -10.370 1.00 0.00 C ATOM 911 CG LYS A 60 -6.740 1.041 -10.636 1.00 0.00 C ATOM 912 CD LYS A 60 -6.016 0.051 -11.561 1.00 0.00 C ATOM 913 CE LYS A 60 -6.296 0.399 -13.034 1.00 0.00 C ATOM 914 NZ LYS A 60 -5.679 -0.552 -13.986 1.00 0.00 N ATOM 0 H LYS A 60 -4.672 0.383 -9.304 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.666 3.309 -8.995 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.681 3.179 -10.400 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.260 2.507 -11.175 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.936 0.550 -9.683 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.708 1.285 -11.074 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.943 0.081 -11.370 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.349 -0.965 -11.350 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.374 0.419 -13.197 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.924 1.402 -13.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.817 -0.209 -14.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.661 -0.631 -13.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.125 -1.486 -13.882 1.00 0.00 H new ATOM 928 N GLU A 61 -6.956 3.479 -7.709 1.00 0.00 N ATOM 929 CA GLU A 61 -7.887 3.774 -6.609 1.00 0.00 C ATOM 930 C GLU A 61 -9.170 2.926 -6.644 1.00 0.00 C ATOM 931 O GLU A 61 -10.274 3.420 -6.428 1.00 0.00 O ATOM 932 CB GLU A 61 -8.168 5.292 -6.523 1.00 0.00 C ATOM 933 CG GLU A 61 -8.665 5.954 -7.817 1.00 0.00 C ATOM 934 CD GLU A 61 -9.006 7.428 -7.595 1.00 0.00 C ATOM 935 OE1 GLU A 61 -8.266 8.087 -6.830 1.00 0.00 O ATOM 936 OE2 GLU A 61 -10.004 7.888 -8.187 1.00 0.00 O ATOM 0 H GLU A 61 -6.949 4.215 -8.415 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.392 3.477 -5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.910 5.461 -5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.253 5.794 -6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.900 5.868 -8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.546 5.426 -8.182 1.00 0.00 H new ATOM 943 N GLU A 62 -8.993 1.624 -6.860 1.00 0.00 N ATOM 944 CA GLU A 62 -10.015 0.594 -6.919 1.00 0.00 C ATOM 945 C GLU A 62 -9.386 -0.630 -6.249 1.00 0.00 C ATOM 946 O GLU A 62 -9.792 -1.109 -5.194 1.00 0.00 O ATOM 947 CB GLU A 62 -10.374 0.293 -8.394 1.00 0.00 C ATOM 948 CG GLU A 62 -10.297 1.501 -9.345 1.00 0.00 C ATOM 949 CD GLU A 62 -10.524 1.074 -10.792 1.00 0.00 C ATOM 950 OE1 GLU A 62 -9.759 0.192 -11.245 1.00 0.00 O ATOM 951 OE2 GLU A 62 -11.431 1.646 -11.429 1.00 0.00 O ATOM 0 H GLU A 62 -8.060 1.238 -7.009 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.938 0.892 -6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.704 -0.484 -8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.385 -0.114 -8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.044 2.241 -9.059 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.322 1.980 -9.252 1.00 0.00 H new ATOM 958 N THR A 63 -8.280 -1.062 -6.850 1.00 0.00 N ATOM 959 CA THR A 63 -7.483 -2.195 -6.448 1.00 0.00 C ATOM 960 C THR A 63 -6.963 -1.986 -5.029 1.00 0.00 C ATOM 961 O THR A 63 -6.971 -2.907 -4.216 1.00 0.00 O ATOM 962 CB THR A 63 -6.373 -2.383 -7.498 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.682 -1.182 -7.827 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.001 -2.878 -8.808 1.00 0.00 C ATOM 0 H THR A 63 -7.903 -0.597 -7.676 1.00 0.00 H new ATOM 0 HA THR A 63 -8.068 -3.114 -6.413 1.00 0.00 H new ATOM 0 HB THR A 63 -5.667 -3.087 -7.057 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.025 -0.446 -7.278 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.221 -3.014 -9.557 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.505 -3.828 -8.633 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.723 -2.144 -9.165 1.00 0.00 H new ATOM 972 N LEU A 64 -6.557 -0.754 -4.720 1.00 0.00 N ATOM 973 CA LEU A 64 -6.161 -0.368 -3.381 1.00 0.00 C ATOM 974 C LEU A 64 -7.311 -0.501 -2.378 1.00 0.00 C ATOM 975 O LEU A 64 -7.080 -0.984 -1.273 1.00 0.00 O ATOM 976 CB LEU A 64 -5.587 1.054 -3.428 1.00 0.00 C ATOM 977 CG LEU A 64 -4.046 1.048 -3.519 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.563 1.675 -4.824 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.421 1.795 -2.338 1.00 0.00 C ATOM 0 H LEU A 64 -6.496 0.003 -5.401 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.389 -1.050 -3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.000 1.584 -4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.896 1.600 -2.537 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.730 0.005 -3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.474 1.655 -4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.961 1.111 -5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.909 2.707 -4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.335 1.775 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.766 2.829 -2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.717 1.314 -1.406 1.00 0.00 H new ATOM 991 N MET A 65 -8.535 -0.094 -2.736 1.00 0.00 N ATOM 992 CA MET A 65 -9.695 -0.268 -1.870 1.00 0.00 C ATOM 993 C MET A 65 -9.856 -1.749 -1.522 1.00 0.00 C ATOM 994 O MET A 65 -9.875 -2.107 -0.343 1.00 0.00 O ATOM 995 CB MET A 65 -10.979 0.272 -2.524 1.00 0.00 C ATOM 996 CG MET A 65 -10.896 1.744 -2.953 1.00 0.00 C ATOM 997 SD MET A 65 -10.515 2.954 -1.661 1.00 0.00 S ATOM 998 CE MET A 65 -11.870 2.662 -0.509 1.00 0.00 C ATOM 0 H MET A 65 -8.742 0.360 -3.626 1.00 0.00 H new ATOM 0 HA MET A 65 -9.529 0.306 -0.958 1.00 0.00 H new ATOM 0 HB2 MET A 65 -11.212 -0.337 -3.398 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.807 0.155 -1.824 1.00 0.00 H new ATOM 0 HG2 MET A 65 -10.137 1.828 -3.731 1.00 0.00 H new ATOM 0 HG3 MET A 65 -11.849 2.020 -3.406 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.857 3.425 0.269 1.00 0.00 H new ATOM 0 HE2 MET A 65 -12.818 2.706 -1.044 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.755 1.678 -0.054 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.935 -2.609 -2.545 1.00 0.00 N ATOM 1009 CA GLU A 66 -10.162 -4.030 -2.332 1.00 0.00 C ATOM 1010 C GLU A 66 -9.049 -4.637 -1.470 1.00 0.00 C ATOM 1011 O GLU A 66 -9.305 -5.379 -0.524 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.268 -4.730 -3.693 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.720 -5.058 -4.063 1.00 0.00 C ATOM 1014 CD GLU A 66 -12.520 -3.806 -4.401 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -13.061 -3.200 -3.452 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -12.567 -3.487 -5.608 1.00 0.00 O ATOM 0 H GLU A 66 -9.844 -2.339 -3.524 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.097 -4.173 -1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.834 -4.092 -4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.683 -5.649 -3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.732 -5.737 -4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.197 -5.580 -3.233 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.797 -4.321 -1.798 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.636 -4.811 -1.075 1.00 0.00 C ATOM 1025 C TYR A 67 -6.703 -4.405 0.391 1.00 0.00 C ATOM 1026 O TYR A 67 -6.713 -5.265 1.261 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.383 -4.264 -1.751 1.00 0.00 C ATOM 1028 CG TYR A 67 -4.071 -4.783 -1.204 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.811 -6.165 -1.134 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -3.036 -3.875 -0.948 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.518 -6.638 -0.852 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.749 -4.353 -0.691 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.472 -5.724 -0.666 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.180 -6.144 -0.611 1.00 0.00 O ATOM 0 H TYR A 67 -7.563 -3.711 -2.582 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.612 -5.900 -1.100 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.432 -4.499 -2.814 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.389 -3.177 -1.664 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.613 -6.869 -1.299 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.232 -2.813 -0.949 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.332 -7.699 -0.779 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.951 -3.649 -0.508 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.145 -7.046 -0.229 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.750 -3.108 0.689 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.792 -2.650 2.073 1.00 0.00 C ATOM 1046 C LEU A 68 -8.034 -3.146 2.819 1.00 0.00 C ATOM 1047 O LEU A 68 -7.981 -3.293 4.041 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.636 -1.123 2.173 1.00 0.00 C ATOM 1049 CG LEU A 68 -5.179 -0.630 2.228 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -4.437 -1.197 3.442 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.382 -0.956 0.963 1.00 0.00 C ATOM 0 H LEU A 68 -6.760 -2.361 -0.006 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.933 -3.097 2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.129 -0.664 1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.157 -0.775 3.065 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.249 0.454 2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.412 -0.827 3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.941 -0.882 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.430 -2.286 3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.364 -0.581 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.358 -2.036 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.856 -0.484 0.103 1.00 0.00 H new ATOM 1063 N GLU A 69 -9.146 -3.412 2.124 1.00 0.00 N ATOM 1064 CA GLU A 69 -10.274 -4.093 2.744 1.00 0.00 C ATOM 1065 C GLU A 69 -9.860 -5.503 3.167 1.00 0.00 C ATOM 1066 O GLU A 69 -10.077 -5.891 4.315 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.501 -4.066 1.814 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.805 -4.541 2.491 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.133 -6.007 2.205 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -13.327 -6.325 1.016 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -13.169 -6.804 3.167 1.00 0.00 O ATOM 0 H GLU A 69 -9.283 -3.167 1.143 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.573 -3.567 3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.643 -3.050 1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.302 -4.696 0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.720 -4.398 3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.632 -3.917 2.150 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.257 -6.260 2.247 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.146 -7.706 2.372 1.00 0.00 C ATOM 1080 C ASN A 70 -7.881 -8.227 1.681 1.00 0.00 C ATOM 1081 O ASN A 70 -7.950 -8.904 0.657 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.409 -8.297 1.742 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.924 -9.509 2.498 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -10.149 -10.355 2.936 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -12.239 -9.589 2.671 1.00 0.00 N ATOM 0 H ASN A 70 -8.835 -5.884 1.398 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.062 -8.001 3.418 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.187 -7.534 1.712 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.199 -8.579 0.710 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.639 -10.375 3.184 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.848 -8.865 2.291 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.690 -7.937 2.208 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.471 -8.019 1.419 1.00 0.00 C ATOM 1094 C PRO A 71 -5.123 -9.462 1.060 1.00 0.00 C ATOM 1095 O PRO A 71 -4.798 -9.763 -0.087 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.401 -7.291 2.235 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.940 -7.320 3.664 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.459 -7.331 3.501 1.00 0.00 C ATOM 0 HA PRO A 71 -5.574 -7.541 0.445 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.435 -7.791 2.163 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.258 -6.269 1.883 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.592 -8.202 4.201 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.608 -6.450 4.231 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.938 -7.902 4.296 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.868 -6.322 3.543 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.255 -10.363 2.035 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.095 -11.797 1.849 1.00 0.00 C ATOM 1108 C LYS A 72 -6.138 -12.390 0.887 1.00 0.00 C ATOM 1109 O LYS A 72 -5.929 -13.499 0.396 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.138 -12.469 3.233 1.00 0.00 C ATOM 1111 CG LYS A 72 -3.834 -12.216 4.012 1.00 0.00 C ATOM 1112 CD LYS A 72 -4.070 -11.805 5.474 1.00 0.00 C ATOM 1113 CE LYS A 72 -4.772 -12.858 6.349 1.00 0.00 C ATOM 1114 NZ LYS A 72 -3.927 -14.040 6.620 1.00 0.00 N ATOM 0 H LYS A 72 -5.481 -10.105 2.996 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.132 -11.990 1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.985 -12.085 3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.293 -13.542 3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.224 -13.119 3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.264 -11.434 3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.108 -11.564 5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.665 -10.892 5.486 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.062 -12.401 7.295 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.689 -13.179 5.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.452 -14.714 7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.670 -14.497 5.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.063 -13.743 7.116 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.251 -11.692 0.619 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.251 -12.143 -0.340 1.00 0.00 C ATOM 1130 C LYS A 73 -7.887 -11.631 -1.734 1.00 0.00 C ATOM 1131 O LYS A 73 -7.858 -12.412 -2.683 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.644 -11.670 0.095 1.00 0.00 C ATOM 1133 CG LYS A 73 -10.838 -12.225 -0.699 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.218 -13.658 -0.284 1.00 0.00 C ATOM 1135 CE LYS A 73 -10.606 -14.752 -1.173 1.00 0.00 C ATOM 1136 NZ LYS A 73 -11.409 -15.005 -2.387 1.00 0.00 N ATOM 0 H LYS A 73 -7.476 -10.802 1.063 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.270 -13.232 -0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.781 -11.932 1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.669 -10.582 0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.698 -11.571 -0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.599 -12.211 -1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.901 -13.823 0.746 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.304 -13.754 -0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.597 -14.459 -1.463 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.518 -15.675 -0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.956 -15.750 -2.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.365 -15.311 -2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.472 -14.132 -2.949 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.631 -10.324 -1.857 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.247 -9.684 -3.106 1.00 0.00 C ATOM 1152 C TYR A 74 -6.022 -10.367 -3.725 1.00 0.00 C ATOM 1153 O TYR A 74 -5.998 -10.645 -4.926 1.00 0.00 O ATOM 1154 CB TYR A 74 -6.981 -8.201 -2.827 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.622 -7.395 -4.060 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.601 -7.143 -5.038 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.284 -7.040 -4.310 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.225 -6.646 -6.296 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -4.906 -6.545 -5.569 1.00 0.00 C ATOM 1160 CZ TYR A 74 -5.870 -6.408 -6.578 1.00 0.00 C ATOM 1161 OH TYR A 74 -5.472 -6.206 -7.863 1.00 0.00 O ATOM 0 H TYR A 74 -7.688 -9.675 -1.072 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.055 -9.778 -3.832 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.867 -7.764 -2.366 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.171 -8.118 -2.103 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.642 -7.332 -4.821 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.544 -7.148 -3.531 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.977 -6.447 -7.046 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.879 -6.271 -5.759 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.202 -5.793 -8.370 1.00 0.00 H new ATOM 1171 N ILE A 75 -4.996 -10.626 -2.907 1.00 0.00 N ATOM 1172 CA ILE A 75 -3.782 -11.324 -3.316 1.00 0.00 C ATOM 1173 C ILE A 75 -3.596 -12.569 -2.433 1.00 0.00 C ATOM 1174 O ILE A 75 -3.454 -12.432 -1.216 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.583 -10.359 -3.252 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -2.616 -9.420 -4.470 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.253 -11.126 -3.302 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -1.817 -8.129 -4.261 1.00 0.00 C ATOM 0 H ILE A 75 -4.990 -10.349 -1.925 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.859 -11.664 -4.349 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.654 -9.803 -2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.220 -9.948 -5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.652 -9.166 -4.696 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.424 -10.420 -3.255 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.195 -11.810 -2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.195 -11.693 -4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.882 -7.512 -5.157 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.227 -7.581 -3.413 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.773 -8.375 -4.064 1.00 0.00 H new ATOM 1190 N PRO A 76 -3.565 -13.784 -3.017 1.00 0.00 N ATOM 1191 CA PRO A 76 -3.431 -15.018 -2.261 1.00 0.00 C ATOM 1192 C PRO A 76 -2.029 -15.138 -1.655 1.00 0.00 C ATOM 1193 O PRO A 76 -1.144 -15.766 -2.229 1.00 0.00 O ATOM 1194 CB PRO A 76 -3.746 -16.147 -3.251 1.00 0.00 C ATOM 1195 CG PRO A 76 -3.340 -15.558 -4.599 1.00 0.00 C ATOM 1196 CD PRO A 76 -3.696 -14.079 -4.440 1.00 0.00 C ATOM 0 HA PRO A 76 -4.113 -15.057 -1.411 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.183 -17.052 -3.022 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.802 -16.416 -3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.278 -15.700 -4.800 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.884 -16.019 -5.423 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.029 -13.452 -5.031 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.710 -13.882 -4.787 1.00 0.00 H new ATOM 1204 N GLY A 77 -1.844 -14.553 -0.471 1.00 0.00 N ATOM 1205 CA GLY A 77 -0.638 -14.721 0.329 1.00 0.00 C ATOM 1206 C GLY A 77 0.361 -13.592 0.103 1.00 0.00 C ATOM 1207 O GLY A 77 1.564 -13.826 0.040 1.00 0.00 O ATOM 0 H GLY A 77 -2.538 -13.943 -0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.906 -14.761 1.385 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.170 -15.674 0.083 1.00 0.00 H new ATOM 1211 N THR A 78 -0.142 -12.354 0.072 1.00 0.00 N ATOM 1212 CA THR A 78 0.639 -11.131 -0.114 1.00 0.00 C ATOM 1213 C THR A 78 1.799 -10.943 0.884 1.00 0.00 C ATOM 1214 O THR A 78 2.691 -10.125 0.693 1.00 0.00 O ATOM 1215 CB THR A 78 -0.317 -9.923 -0.103 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.409 -8.729 0.009 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.359 -9.965 1.019 1.00 0.00 C ATOM 0 H THR A 78 -1.140 -12.171 0.180 1.00 0.00 H new ATOM 0 HA THR A 78 1.136 -11.218 -1.080 1.00 0.00 H new ATOM 0 HB THR A 78 -0.856 -9.970 -1.049 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.913 -8.574 -0.817 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.994 -9.081 0.959 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.972 -10.860 0.913 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.853 -9.984 1.984 1.00 0.00 H new ATOM 1225 N LYS A 79 1.767 -11.667 1.997 1.00 0.00 N ATOM 1226 CA LYS A 79 2.783 -11.624 3.046 1.00 0.00 C ATOM 1227 C LYS A 79 2.791 -10.256 3.742 1.00 0.00 C ATOM 1228 O LYS A 79 3.780 -9.851 4.349 1.00 0.00 O ATOM 1229 CB LYS A 79 4.151 -12.031 2.462 1.00 0.00 C ATOM 1230 CG LYS A 79 4.772 -13.209 3.219 1.00 0.00 C ATOM 1231 CD LYS A 79 5.861 -13.878 2.366 1.00 0.00 C ATOM 1232 CE LYS A 79 6.150 -15.313 2.829 1.00 0.00 C ATOM 1233 NZ LYS A 79 6.740 -15.363 4.182 1.00 0.00 N ATOM 0 H LYS A 79 1.011 -12.320 2.202 1.00 0.00 H new ATOM 0 HA LYS A 79 2.545 -12.348 3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.032 -12.298 1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.829 -11.178 2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.200 -12.861 4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.000 -13.936 3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.548 -13.889 1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.776 -13.288 2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.224 -15.888 2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.829 -15.790 2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.916 -16.353 4.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.638 -14.838 4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.082 -14.933 4.864 1.00 0.00 H new ATOM 1247 N MET A 80 1.642 -9.583 3.687 1.00 0.00 N ATOM 1248 CA MET A 80 1.433 -8.235 4.171 1.00 0.00 C ATOM 1249 C MET A 80 1.033 -8.197 5.646 1.00 0.00 C ATOM 1250 O MET A 80 1.208 -7.197 6.333 1.00 0.00 O ATOM 1251 CB MET A 80 0.422 -7.586 3.232 1.00 0.00 C ATOM 1252 CG MET A 80 -0.067 -6.232 3.728 1.00 0.00 C ATOM 1253 SD MET A 80 -0.013 -4.912 2.497 1.00 0.00 S ATOM 1254 CE MET A 80 -1.669 -4.207 2.668 1.00 0.00 C ATOM 0 H MET A 80 0.798 -9.989 3.284 1.00 0.00 H new ATOM 0 HA MET A 80 2.361 -7.663 4.154 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.874 -7.464 2.248 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.432 -8.252 3.110 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.093 -6.339 4.081 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.536 -5.935 4.586 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.723 -3.267 2.119 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.404 -4.904 2.267 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.880 -4.024 3.722 1.00 0.00 H new ATOM 1264 N ILE A 81 0.509 -9.311 6.144 1.00 0.00 N ATOM 1265 CA ILE A 81 0.133 -9.487 7.535 1.00 0.00 C ATOM 1266 C ILE A 81 -0.760 -8.335 8.009 1.00 0.00 C ATOM 1267 O ILE A 81 -0.420 -7.577 8.916 1.00 0.00 O ATOM 1268 CB ILE A 81 1.398 -9.688 8.390 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.439 -10.633 7.755 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.059 -10.153 9.815 1.00 0.00 C ATOM 1271 CD1 ILE A 81 1.952 -12.077 7.592 1.00 0.00 C ATOM 0 H ILE A 81 0.331 -10.137 5.573 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.471 -10.387 7.649 1.00 0.00 H new ATOM 0 HB ILE A 81 1.860 -8.702 8.440 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.720 -10.243 6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.339 -10.631 8.370 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.980 -10.283 10.384 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.433 -9.405 10.302 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.523 -11.101 9.771 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.741 -12.678 7.139 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.699 -12.488 8.569 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.070 -12.093 6.952 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.928 -8.213 7.379 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.902 -7.177 7.668 1.00 0.00 C ATOM 1285 C PHE A 82 -4.277 -7.788 7.402 1.00 0.00 C ATOM 1286 O PHE A 82 -4.379 -8.676 6.555 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.596 -5.954 6.788 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.732 -4.635 7.511 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -1.717 -4.230 8.396 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -3.861 -3.821 7.315 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -1.821 -3.005 9.077 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -3.976 -2.611 8.018 1.00 0.00 C ATOM 1293 CZ PHE A 82 -2.958 -2.201 8.897 1.00 0.00 C ATOM 0 H PHE A 82 -2.224 -8.849 6.638 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.870 -6.829 8.701 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.581 -6.042 6.399 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.268 -5.958 5.929 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.855 -4.862 8.553 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.636 -4.125 6.627 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.029 -2.683 9.737 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.851 -1.992 7.883 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.051 -1.268 9.433 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.311 -7.390 8.152 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.624 -8.031 8.096 1.00 0.00 C ATOM 1305 C ALA A 83 -7.688 -7.130 8.730 1.00 0.00 C ATOM 1306 O ALA A 83 -8.484 -7.578 9.551 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.558 -9.393 8.799 1.00 0.00 C ATOM 0 H ALA A 83 -5.258 -6.615 8.813 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.906 -8.190 7.055 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.536 -9.872 8.758 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.824 -10.025 8.300 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.267 -9.251 9.840 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.679 -5.849 8.362 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.509 -4.815 8.958 1.00 0.00 C ATOM 1315 C GLY A 84 -7.621 -3.625 9.305 1.00 0.00 C ATOM 1316 O GLY A 84 -6.401 -3.755 9.292 1.00 0.00 O ATOM 0 H GLY A 84 -7.075 -5.497 7.619 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.294 -4.513 8.265 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.002 -5.194 9.853 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.225 -2.464 9.580 1.00 0.00 N ATOM 1321 CA ILE A 85 -7.503 -1.212 9.801 1.00 0.00 C ATOM 1322 C ILE A 85 -8.072 -0.472 11.014 1.00 0.00 C ATOM 1323 O ILE A 85 -7.319 -0.022 11.888 1.00 0.00 O ATOM 1324 CB ILE A 85 -7.525 -0.372 8.503 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -6.771 0.958 8.656 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -8.937 -0.074 7.977 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -5.262 0.759 8.676 1.00 0.00 C ATOM 0 H ILE A 85 -9.238 -2.369 9.656 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.458 -1.414 10.036 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.018 -1.004 7.773 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.038 1.623 7.835 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.084 1.448 9.578 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.868 0.519 7.065 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.451 -1.011 7.763 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -9.496 0.482 8.730 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.769 1.725 8.786 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.991 0.116 9.513 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.944 0.293 7.743 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.405 -0.357 11.043 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.194 0.239 12.101 1.00 0.00 C ATOM 1341 C LYS A 86 -11.661 -0.133 11.866 1.00 0.00 C ATOM 1342 O LYS A 86 -12.248 -0.880 12.642 1.00 0.00 O ATOM 1343 CB LYS A 86 -9.967 1.755 12.104 1.00 0.00 C ATOM 1344 CG LYS A 86 -10.964 2.487 13.009 1.00 0.00 C ATOM 1345 CD LYS A 86 -10.262 3.602 13.786 1.00 0.00 C ATOM 1346 CE LYS A 86 -11.108 4.173 14.927 1.00 0.00 C ATOM 1347 NZ LYS A 86 -10.290 5.063 15.776 1.00 0.00 N ATOM 0 H LYS A 86 -9.986 -0.701 10.278 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.899 -0.133 13.082 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.951 1.968 12.438 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.055 2.136 11.087 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.770 2.907 12.407 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.419 1.782 13.704 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.327 3.218 14.194 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.003 4.407 13.098 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.955 4.725 14.520 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.516 3.360 15.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.876 5.443 16.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.496 4.525 16.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.921 5.848 15.202 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.250 0.402 10.793 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.653 0.204 10.447 1.00 0.00 C ATOM 1363 C LYS A 87 -13.875 0.694 9.017 1.00 0.00 C ATOM 1364 O LYS A 87 -14.149 -0.104 8.125 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.553 0.927 11.470 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.044 0.977 11.087 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.967 0.474 12.208 1.00 0.00 C ATOM 1368 CE LYS A 87 -17.009 -1.063 12.239 1.00 0.00 C ATOM 1369 NZ LYS A 87 -17.918 -1.581 13.285 1.00 0.00 N ATOM 0 H LYS A 87 -11.752 0.996 10.130 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.919 -0.852 10.488 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.455 0.430 12.435 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.189 1.947 11.598 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.314 2.002 10.833 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.205 0.374 10.193 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.617 0.851 13.169 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.973 0.866 12.059 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.330 -1.435 11.266 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.004 -1.448 12.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.912 -2.621 13.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.599 -1.250 14.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.883 -1.237 13.107 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.743 2.007 8.810 1.00 0.00 N ATOM 1384 CA LYS A 88 -13.950 2.638 7.509 1.00 0.00 C ATOM 1385 C LYS A 88 -13.101 3.897 7.359 1.00 0.00 C ATOM 1386 O LYS A 88 -12.444 4.070 6.340 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.443 2.890 7.234 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.094 3.996 8.080 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.597 4.075 7.765 1.00 0.00 C ATOM 1390 CE LYS A 88 -18.130 5.512 7.652 1.00 0.00 C ATOM 1391 NZ LYS A 88 -17.542 6.250 6.510 1.00 0.00 N ATOM 0 H LYS A 88 -13.488 2.664 9.547 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.610 1.942 6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -15.563 3.144 6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.987 1.961 7.401 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.945 3.791 9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.618 4.954 7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.791 3.550 6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -18.151 3.552 8.545 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -19.214 5.486 7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.915 6.049 8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.115 7.095 6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -16.571 6.537 6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.527 5.636 5.671 1.00 0.00 H new ATOM 1405 N THR A 89 -13.095 4.777 8.367 1.00 0.00 N ATOM 1406 CA THR A 89 -12.375 6.039 8.309 1.00 0.00 C ATOM 1407 C THR A 89 -10.951 5.817 7.807 1.00 0.00 C ATOM 1408 O THR A 89 -10.575 6.331 6.760 1.00 0.00 O ATOM 1409 CB THR A 89 -12.419 6.686 9.700 1.00 0.00 C ATOM 1410 OG1 THR A 89 -13.743 6.566 10.187 1.00 0.00 O ATOM 1411 CG2 THR A 89 -11.992 8.156 9.648 1.00 0.00 C ATOM 0 H THR A 89 -13.593 4.627 9.245 1.00 0.00 H new ATOM 0 HA THR A 89 -12.846 6.719 7.599 1.00 0.00 H new ATOM 0 HB THR A 89 -11.719 6.180 10.365 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.802 6.970 11.078 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.035 8.583 10.650 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.973 8.226 9.267 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.664 8.707 8.990 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.194 4.983 8.518 1.00 0.00 N ATOM 1420 CA GLU A 90 -8.806 4.706 8.212 1.00 0.00 C ATOM 1421 C GLU A 90 -8.635 3.987 6.879 1.00 0.00 C ATOM 1422 O GLU A 90 -7.695 4.263 6.145 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.189 3.957 9.381 1.00 0.00 C ATOM 1424 CG GLU A 90 -8.295 4.836 10.637 1.00 0.00 C ATOM 1425 CD GLU A 90 -7.501 4.288 11.815 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -6.728 3.335 11.588 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -7.692 4.802 12.938 1.00 0.00 O ATOM 0 H GLU A 90 -10.540 4.477 9.333 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.271 5.647 8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.705 3.009 9.538 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.146 3.721 9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.940 5.840 10.402 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.343 4.927 10.923 1.00 0.00 H new ATOM 1434 N ARG A 91 -9.568 3.103 6.533 1.00 0.00 N ATOM 1435 CA ARG A 91 -9.618 2.525 5.195 1.00 0.00 C ATOM 1436 C ARG A 91 -9.642 3.622 4.135 1.00 0.00 C ATOM 1437 O ARG A 91 -9.040 3.466 3.081 1.00 0.00 O ATOM 1438 CB ARG A 91 -10.860 1.627 5.065 1.00 0.00 C ATOM 1439 CG ARG A 91 -10.863 0.737 3.816 1.00 0.00 C ATOM 1440 CD ARG A 91 -10.223 -0.635 4.059 1.00 0.00 C ATOM 1441 NE ARG A 91 -10.884 -1.399 5.134 1.00 0.00 N ATOM 1442 CZ ARG A 91 -12.128 -1.908 5.093 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -12.868 -1.779 3.988 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -12.624 -2.551 6.156 1.00 0.00 N ATOM 0 H ARG A 91 -10.299 2.772 7.162 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.723 1.922 5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.931 0.994 5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.750 2.256 5.051 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.890 0.598 3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.328 1.245 3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.257 -1.214 3.136 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.171 -0.499 4.311 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.348 -1.556 5.987 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.489 -1.294 3.174 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.811 -2.166 3.958 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.059 -2.655 6.998 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.568 -2.937 6.124 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.334 4.725 4.408 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.511 5.769 3.417 1.00 0.00 C ATOM 1460 C GLU A 92 -9.274 6.672 3.449 1.00 0.00 C ATOM 1461 O GLU A 92 -8.698 7.026 2.425 1.00 0.00 O ATOM 1462 CB GLU A 92 -11.818 6.502 3.753 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.389 7.269 2.553 1.00 0.00 C ATOM 1464 CD GLU A 92 -12.992 6.301 1.545 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -14.051 5.738 1.894 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -12.377 6.142 0.472 1.00 0.00 O ATOM 0 H GLU A 92 -10.778 4.914 5.307 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.597 5.387 2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.556 5.780 4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.640 7.198 4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.149 7.973 2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.601 7.854 2.079 1.00 0.00 H new ATOM 1473 N ASP A 93 -8.874 7.041 4.666 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.802 7.967 4.974 1.00 0.00 C ATOM 1475 C ASP A 93 -6.480 7.484 4.404 1.00 0.00 C ATOM 1476 O ASP A 93 -5.767 8.234 3.752 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.710 8.154 6.497 1.00 0.00 C ATOM 1478 CG ASP A 93 -7.826 9.618 6.852 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -7.074 10.435 6.278 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -8.785 9.948 7.580 1.00 0.00 O ATOM 0 H ASP A 93 -9.321 6.676 5.507 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.022 8.929 4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.502 7.589 6.988 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.763 7.758 6.863 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.150 6.216 4.625 1.00 0.00 N ATOM 1486 CA LEU A 94 -4.958 5.592 4.074 1.00 0.00 C ATOM 1487 C LEU A 94 -4.917 5.781 2.562 1.00 0.00 C ATOM 1488 O LEU A 94 -3.936 6.285 2.012 1.00 0.00 O ATOM 1489 CB LEU A 94 -4.963 4.106 4.443 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.361 3.839 5.831 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -2.854 3.717 5.673 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.579 4.924 6.890 1.00 0.00 C ATOM 0 H LEU A 94 -6.711 5.587 5.199 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.066 6.060 4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.987 3.733 4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.401 3.548 3.694 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.872 2.943 6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.400 3.527 6.646 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.624 2.892 4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.455 4.644 5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.108 4.620 7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.137 5.860 6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.648 5.066 7.051 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.013 5.428 1.890 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.075 5.555 0.442 1.00 0.00 C ATOM 1506 C ILE A 95 -6.094 7.033 0.014 1.00 0.00 C ATOM 1507 O ILE A 95 -5.931 7.326 -1.170 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.250 4.722 -0.111 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.196 3.261 0.381 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.279 4.740 -1.649 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -5.869 2.557 0.106 1.00 0.00 C ATOM 0 H ILE A 95 -6.859 5.056 2.323 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.169 5.142 -0.002 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.161 5.185 0.267 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.388 3.243 1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.999 2.699 -0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.119 4.143 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.389 5.766 -1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.349 4.323 -2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.914 1.535 0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.682 2.540 -0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.062 3.093 0.606 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.227 7.980 0.953 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.258 9.398 0.651 1.00 0.00 C ATOM 1525 C ALA A 96 -4.833 9.934 0.744 1.00 0.00 C ATOM 1526 O ALA A 96 -4.355 10.600 -0.172 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.220 10.097 1.611 1.00 0.00 C ATOM 0 H ALA A 96 -6.316 7.771 1.947 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.625 9.588 -0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.246 11.163 1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.219 9.677 1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.882 9.950 2.637 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.121 9.577 1.819 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.707 9.859 1.952 1.00 0.00 C ATOM 1535 C TYR A 97 -1.968 9.375 0.722 1.00 0.00 C ATOM 1536 O TYR A 97 -1.248 10.145 0.101 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.095 9.183 3.183 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.565 9.210 3.209 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.134 10.315 2.683 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.173 8.103 3.667 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.537 10.328 2.641 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.577 8.101 3.584 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.263 9.212 3.069 1.00 0.00 C ATOM 1544 OH TYR A 97 3.623 9.233 2.975 1.00 0.00 O ATOM 0 H TYR A 97 -4.520 9.084 2.617 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.606 10.938 2.066 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.473 9.674 4.080 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.431 8.147 3.221 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.418 11.164 2.307 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.341 7.250 4.085 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.057 11.202 2.277 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.132 7.237 3.919 1.00 0.00 H new ATOM 0 HH TYR A 97 4.000 8.510 3.519 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.102 8.097 0.374 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.283 7.560 -0.702 1.00 0.00 C ATOM 1556 C LEU A 98 -1.555 8.278 -2.028 1.00 0.00 C ATOM 1557 O LEU A 98 -0.671 8.375 -2.882 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.421 6.040 -0.772 1.00 0.00 C ATOM 1559 CG LEU A 98 -1.015 5.385 0.559 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.249 3.879 0.462 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.439 5.663 0.965 1.00 0.00 C ATOM 0 H LEU A 98 -2.748 7.436 0.806 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.233 7.759 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.451 5.776 -1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.797 5.652 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.636 5.829 1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.964 3.405 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.303 3.687 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.647 3.469 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.653 5.169 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.111 5.280 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.587 6.737 1.074 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.753 8.857 -2.156 1.00 0.00 N ATOM 1574 CA LYS A 99 -3.161 9.618 -3.331 1.00 0.00 C ATOM 1575 C LYS A 99 -2.384 10.935 -3.471 1.00 0.00 C ATOM 1576 O LYS A 99 -2.413 11.547 -4.536 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.676 9.856 -3.278 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.409 9.063 -4.360 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.920 9.281 -4.219 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.377 10.526 -4.996 1.00 0.00 C ATOM 1581 NZ LYS A 99 -8.742 10.927 -4.614 1.00 0.00 N ATOM 0 H LYS A 99 -3.473 8.807 -1.435 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.922 9.035 -4.220 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.056 9.570 -2.297 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.882 10.919 -3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.076 9.381 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.174 8.002 -4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.452 8.404 -4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.177 9.392 -3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.688 11.349 -4.806 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.342 10.322 -6.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.021 11.770 -5.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.402 10.150 -4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.768 11.145 -3.597 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.685 11.361 -2.414 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.751 12.481 -2.406 1.00 0.00 C ATOM 1597 C LYS A 100 0.696 11.992 -2.197 1.00 0.00 C ATOM 1598 O LYS A 100 1.638 12.661 -2.613 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.229 13.542 -1.392 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.598 13.446 0.004 1.00 0.00 C ATOM 1601 CD LYS A 100 0.627 14.365 0.117 1.00 0.00 C ATOM 1602 CE LYS A 100 1.632 13.798 1.123 1.00 0.00 C ATOM 1603 NZ LYS A 100 2.749 14.726 1.372 1.00 0.00 N ATOM 0 H LYS A 100 -1.762 10.911 -1.502 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.737 12.973 -3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.020 14.531 -1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.311 13.462 -1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.334 13.720 0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.304 12.416 0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.101 14.471 -0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.314 15.361 0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.123 13.584 2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.024 12.852 0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.647 14.201 1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.763 15.459 0.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.627 15.174 2.303 1.00 0.00 H new ATOM 1617 N ALA A 101 0.900 10.818 -1.583 1.00 0.00 N ATOM 1618 CA ALA A 101 2.223 10.216 -1.427 1.00 0.00 C ATOM 1619 C ALA A 101 2.837 9.951 -2.796 1.00 0.00 C ATOM 1620 O ALA A 101 4.026 10.151 -3.004 1.00 0.00 O ATOM 1621 CB ALA A 101 2.158 8.920 -0.618 1.00 0.00 C ATOM 0 H ALA A 101 0.146 10.261 -1.181 1.00 0.00 H new ATOM 0 HA ALA A 101 2.850 10.918 -0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.159 8.500 -0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.756 9.130 0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.512 8.205 -1.128 1.00 0.00 H new ATOM 1627 N THR A 102 1.993 9.535 -3.742 1.00 0.00 N ATOM 1628 CA THR A 102 2.340 9.432 -5.153 1.00 0.00 C ATOM 1629 C THR A 102 3.009 10.710 -5.688 1.00 0.00 C ATOM 1630 O THR A 102 3.842 10.643 -6.591 1.00 0.00 O ATOM 1631 CB THR A 102 1.057 9.088 -5.925 1.00 0.00 C ATOM 1632 OG1 THR A 102 1.314 8.703 -7.256 1.00 0.00 O ATOM 1633 CG2 THR A 102 0.038 10.228 -5.938 1.00 0.00 C ATOM 0 H THR A 102 1.033 9.256 -3.541 1.00 0.00 H new ATOM 0 HA THR A 102 3.082 8.645 -5.291 1.00 0.00 H new ATOM 0 HB THR A 102 0.632 8.245 -5.380 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.465 7.735 -7.293 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.845 9.921 -6.499 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.249 10.471 -4.915 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.480 11.106 -6.409 1.00 0.00 H new ATOM 1641 N ASN A 103 2.606 11.873 -5.161 1.00 0.00 N ATOM 1642 CA ASN A 103 2.982 13.187 -5.657 1.00 0.00 C ATOM 1643 C ASN A 103 4.162 13.794 -4.892 1.00 0.00 C ATOM 1644 O ASN A 103 4.912 14.559 -5.495 1.00 0.00 O ATOM 1645 CB ASN A 103 1.761 14.113 -5.590 1.00 0.00 C ATOM 1646 CG ASN A 103 2.063 15.507 -6.129 1.00 0.00 C ATOM 1647 OD1 ASN A 103 2.095 16.475 -5.377 1.00 0.00 O ATOM 1648 ND2 ASN A 103 2.249 15.631 -7.440 1.00 0.00 N ATOM 0 H ASN A 103 1.989 11.918 -4.350 1.00 0.00 H new ATOM 0 HA ASN A 103 3.314 13.075 -6.689 1.00 0.00 H new ATOM 0 HB2 ASN A 103 0.943 13.674 -6.161 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.423 14.191 -4.557 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.424 16.550 -7.846 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.217 14.807 -8.040 1.00 0.00 H new ATOM 1655 N GLU A 104 4.285 13.530 -3.585 1.00 0.00 N ATOM 1656 CA GLU A 104 5.339 14.151 -2.785 1.00 0.00 C ATOM 1657 C GLU A 104 6.736 13.597 -3.104 1.00 0.00 C ATOM 1658 O GLU A 104 7.709 14.324 -2.806 1.00 0.00 O ATOM 1659 CB GLU A 104 4.991 14.172 -1.283 1.00 0.00 C ATOM 1660 CG GLU A 104 5.239 12.891 -0.457 1.00 0.00 C ATOM 1661 CD GLU A 104 5.830 13.212 0.916 1.00 0.00 C ATOM 1662 OE1 GLU A 104 5.038 13.720 1.744 1.00 0.00 O ATOM 1663 OE2 GLU A 104 7.041 12.983 1.117 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.813 12.469 -3.645 1.00 0.00 O ATOM 0 H GLU A 104 3.674 12.898 -3.067 1.00 0.00 H new ATOM 0 HA GLU A 104 5.390 15.198 -3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.558 14.980 -0.821 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.936 14.429 -1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.301 12.350 -0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.917 12.232 -1.000 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.682 -3.215 2.720 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.506 -4.407 -0.537 1.00 0.00 C HETATM 1674 CHB HEC A 105 -0.219 -0.758 1.369 1.00 0.00 C HETATM 1675 CHC HEC A 105 0.934 -2.277 5.910 1.00 0.00 C HETATM 1676 CHD HEC A 105 3.773 -5.731 4.024 1.00 0.00 C HETATM 1677 NA HEC A 105 1.197 -2.699 0.767 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.656 -3.293 -0.392 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.124 -2.519 -1.496 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.311 -1.538 -0.964 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.418 -1.625 0.476 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.648 -0.635 -1.711 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.394 -2.771 -2.963 1.00 0.00 C HETATM 1684 CBA HEC A 105 2.841 -2.509 -3.382 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.090 -2.866 -4.839 1.00 0.00 C HETATM 1686 O1A HEC A 105 2.745 -4.011 -5.209 1.00 0.00 O HETATM 1687 O2A HEC A 105 3.591 -1.990 -5.572 1.00 0.00 O HETATM 1688 NB HEC A 105 0.564 -1.771 3.503 1.00 0.00 N HETATM 1689 C1B HEC A 105 -0.133 -0.861 2.772 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.765 0.036 3.716 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.488 -0.432 4.991 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.391 -1.561 4.839 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.474 1.314 3.345 1.00 0.00 C HETATM 1694 CAB HEC A 105 -1.047 0.028 6.331 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.568 0.094 6.382 1.00 0.00 C HETATM 1696 NC HEC A 105 2.246 -3.883 4.616 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.810 -3.329 5.763 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.430 -4.019 6.866 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.313 -4.926 6.328 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.117 -4.890 4.898 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.199 -3.723 8.325 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.474 -5.615 7.024 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.106 -6.832 7.871 1.00 0.00 C HETATM 1704 ND HEC A 105 2.916 -4.802 1.892 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.654 -5.673 2.645 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.330 -6.574 1.748 1.00 0.00 C HETATM 1707 C3D HEC A 105 3.983 -6.217 0.471 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.077 -5.084 0.557 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.307 -7.675 2.098 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.510 -6.913 -0.760 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.411 -7.341 -1.738 1.00 0.00 C HETATM 1712 CGD HEC A 105 3.212 -8.846 -1.872 1.00 0.00 C HETATM 1713 O1D HEC A 105 4.199 -9.616 -1.820 1.00 0.00 O HETATM 1714 O2D HEC A 105 2.034 -9.211 -2.051 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.169 -7.247 2.610 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 4.820 -8.400 2.751 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 5.637 -8.172 1.186 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.487 -2.693 8.537 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.144 -3.861 8.562 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.799 -4.400 8.933 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.776 1.985 2.845 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -2.303 1.089 2.675 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.856 1.793 4.246 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 -0.097 -0.045 -2.443 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -1.396 -1.242 -2.222 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -1.143 0.033 -1.006 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 2.469 -6.893 -1.420 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 3.643 -6.932 -2.722 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.412 -6.532 8.656 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.636 -7.586 7.240 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.007 -7.247 8.322 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.927 0.794 5.628 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.982 -0.895 6.185 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.885 0.430 7.369 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.079 -1.458 -3.221 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.512 -3.089 -2.748 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 5.204 -6.248 -1.274 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.077 -7.793 -0.456 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.140 -3.805 -3.196 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 0.734 -2.139 -3.557 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.429 -6.492 4.446 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.647 -1.985 6.920 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.821 0.050 0.953 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.732 -4.761 -1.543 1.00 0.00 H new HETATM 0 H2A HEC A 105 2.915 -1.665 -6.202 1.00 0.00 H new