USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 873 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 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A 102 THR OG1 : rot -91:sc= -0.897! USER MOD Set 1.2: A 103 ASN :FLIP amide:sc= -4.47! C(o=-6.9!,f=-5.4!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ -174:sc= -3.22! (180deg=-2.56!) USER MOD Set 2.2: A 12 GLN :FLIP amide:sc= -0.788 F(o=-6.2!,f=-4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= -4.63! (180deg=-5.5!) USER MOD Single : A 16 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.16) USER MOD Single : A 18 HIS : no HE2:sc= -11.1! C(o=-11!,f=-14!) USER MOD Single : A 19 THR OG1 : rot -115:sc= -4.11! USER MOD Single : A 22 LYS NZ :NH3+ -120:sc= -3.79! (180deg=-8.46!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0.168 K(o=0.17,f=-2.8!) USER MOD Single : A 27 LYS NZ :NH3+ -129:sc= -0.0662 (180deg=-0.684) USER MOD Single : A 28 THR OG1 : rot 91:sc= 0.0809 USER MOD Single : A 31 ASN : amide:sc= -4.17! C(o=-4.2!,f=-8.9!) USER MOD Single : A 33 HIS : no HD1:sc= -0.477 X(o=-0.48,f=-0.24) USER MOD Single : A 39 LYS NZ :NH3+ 143:sc= -5.02! (180deg=-8.44!) USER MOD Single : A 40 THR OG1 : rot 45:sc= -3.62! USER MOD Single : A 42 GLN : amide:sc= -15.5! C(o=-15!,f=-18!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0013 USER MOD Single : A 52 ASN :FLIP amide:sc= -0.892 F(o=-2.6!,f=-0.89) USER MOD Single : A 53 LYS NZ :NH3+ -123:sc= -3.71! (180deg=-9.26!) USER MOD Single : A 54 ASN :FLIP amide:sc= -3.37 F(o=-8.1!,f=-3.4) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 46:sc= 0.443 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 172:sc= -7.17! (180deg=-7.55!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= -0.0139 (180deg=-0.0139) USER MOD Single : A 73 LYS NZ :NH3+ 142:sc= -0.461 (180deg=-1.26) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -99:sc= -1.83! USER MOD Single : A 79 LYS NZ :NH3+ 170:sc= -0.0182 (180deg=-0.109) USER MOD Single : A 80 MET CE :methyl 148:sc= -0.936! (180deg=-2.9!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 159:sc= -0.216 (180deg=-0.875) USER MOD Single : A 88 LYS NZ :NH3+ -116:sc= -5.37! (180deg=-8.93!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -145:sc= -10.8! (180deg=-14.4!) USER MOD Single : A 100 LYS NZ :NH3+ 135:sc= -3.18! (180deg=-5.59!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.837 4.216 -1.060 1.00 0.00 N ATOM 2 CA GLY A 1 -17.422 4.249 -0.517 1.00 0.00 C ATOM 3 C GLY A 1 -16.898 5.664 -0.362 1.00 0.00 C ATOM 4 O GLY A 1 -16.791 6.404 -1.339 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.152 3.229 -1.149 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.470 4.724 -0.410 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.861 4.672 -1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.394 3.746 0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.766 3.692 -1.185 1.00 0.00 H new ATOM 10 N ASP A 2 -16.572 6.040 0.871 1.00 0.00 N ATOM 11 CA ASP A 2 -16.057 7.374 1.152 1.00 0.00 C ATOM 12 C ASP A 2 -14.587 7.278 1.621 1.00 0.00 C ATOM 13 O ASP A 2 -14.162 6.264 2.156 1.00 0.00 O ATOM 14 CB ASP A 2 -16.902 8.036 2.188 1.00 0.00 C ATOM 15 CG ASP A 2 -18.384 7.826 1.943 1.00 0.00 C ATOM 16 OD1 ASP A 2 -18.777 7.417 0.822 1.00 0.00 O ATOM 17 OD2 ASP A 2 -19.179 8.090 2.913 1.00 0.00 O ATOM 0 H ASP A 2 -16.656 5.439 1.691 1.00 0.00 H new ATOM 0 HA ASP A 2 -16.092 7.976 0.244 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.640 7.645 3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -16.686 9.104 2.201 1.00 0.00 H new ATOM 22 N VAL A 3 -13.902 8.378 1.499 1.00 0.00 N ATOM 23 CA VAL A 3 -12.473 8.468 1.933 1.00 0.00 C ATOM 24 C VAL A 3 -12.348 8.245 3.427 1.00 0.00 C ATOM 25 O VAL A 3 -11.444 7.565 3.937 1.00 0.00 O ATOM 26 CB VAL A 3 -11.840 9.789 1.533 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.788 10.195 2.554 1.00 0.00 C ATOM 28 CG2 VAL A 3 -11.240 9.713 0.138 1.00 0.00 C ATOM 0 H VAL A 3 -14.278 9.242 1.108 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.929 7.677 1.417 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.620 10.550 1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.340 11.144 2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.254 10.304 3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.015 9.429 2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.795 10.674 -0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.473 8.939 0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.022 9.471 -0.582 1.00 0.00 H new ATOM 38 N GLU A 4 -13.255 8.860 4.180 1.00 0.00 N ATOM 39 CA GLU A 4 -13.278 8.730 5.687 1.00 0.00 C ATOM 40 C GLU A 4 -13.393 7.313 6.109 1.00 0.00 C ATOM 41 O GLU A 4 -12.655 6.836 6.939 1.00 0.00 O ATOM 42 CB GLU A 4 -14.402 9.607 6.252 1.00 0.00 C ATOM 43 CG GLU A 4 -14.500 9.449 7.759 1.00 0.00 C ATOM 44 CD GLU A 4 -15.892 9.941 8.272 1.00 0.00 C ATOM 45 OE1 GLU A 4 -16.605 9.137 8.822 1.00 0.00 O ATOM 46 OE2 GLU A 4 -16.124 11.150 8.153 1.00 0.00 O ATOM 0 H GLU A 4 -13.991 9.456 3.802 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.332 9.084 6.095 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.216 10.651 6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.351 9.333 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.354 8.404 8.031 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.706 10.018 8.243 1.00 0.00 H new ATOM 53 N LYS A 5 -14.302 6.576 5.457 1.00 0.00 N ATOM 54 CA LYS A 5 -14.549 5.178 5.781 1.00 0.00 C ATOM 55 C LYS A 5 -13.333 4.340 5.404 1.00 0.00 C ATOM 56 O LYS A 5 -12.930 3.426 6.132 1.00 0.00 O ATOM 57 CB LYS A 5 -15.764 4.634 5.082 1.00 0.00 C ATOM 58 CG LYS A 5 -17.008 5.487 5.351 1.00 0.00 C ATOM 59 CD LYS A 5 -18.220 4.592 5.571 1.00 0.00 C ATOM 60 CE LYS A 5 -19.099 4.474 4.336 1.00 0.00 C ATOM 61 NZ LYS A 5 -19.217 3.052 3.894 1.00 0.00 N ATOM 0 H LYS A 5 -14.879 6.935 4.697 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.732 5.122 6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.577 4.593 4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.946 3.612 5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.846 6.114 6.228 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.188 6.156 4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.883 3.599 5.867 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.812 4.987 6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -20.090 4.875 4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.680 5.075 3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.822 3.000 3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.273 2.680 3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.638 2.485 4.657 1.00 0.00 H new ATOM 75 N GLY A 6 -12.682 4.688 4.321 1.00 0.00 N ATOM 76 CA GLY A 6 -11.518 3.933 3.854 1.00 0.00 C ATOM 77 C GLY A 6 -10.384 4.064 4.786 1.00 0.00 C ATOM 78 O GLY A 6 -9.649 3.109 5.057 1.00 0.00 O ATOM 0 H GLY A 6 -12.929 5.488 3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.783 2.881 3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.223 4.289 2.867 1.00 0.00 H new ATOM 82 N LYS A 7 -10.176 5.252 5.329 1.00 0.00 N ATOM 83 CA LYS A 7 -9.048 5.500 6.223 1.00 0.00 C ATOM 84 C LYS A 7 -9.177 4.597 7.444 1.00 0.00 C ATOM 85 O LYS A 7 -8.157 4.002 7.911 1.00 0.00 O ATOM 86 CB LYS A 7 -9.056 6.973 6.658 1.00 0.00 C ATOM 87 CG LYS A 7 -8.306 7.198 7.976 1.00 0.00 C ATOM 88 CD LYS A 7 -9.249 7.751 9.056 1.00 0.00 C ATOM 89 CE LYS A 7 -8.673 8.952 9.791 1.00 0.00 C ATOM 90 NZ LYS A 7 -9.268 10.205 9.243 1.00 0.00 N ATOM 0 H LYS A 7 -10.772 6.064 5.168 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.111 5.286 5.710 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.602 7.582 5.876 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.086 7.311 6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.869 6.259 8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.482 7.894 7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.195 8.034 8.594 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.469 6.963 9.776 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.883 8.874 10.858 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.589 8.973 9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.874 11.025 9.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.046 10.281 8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.300 10.184 9.371 1.00 0.00 H new ATOM 104 N LYS A 8 -10.376 4.514 8.042 1.00 0.00 N ATOM 105 CA LYS A 8 -10.614 3.622 9.187 1.00 0.00 C ATOM 106 C LYS A 8 -10.343 2.155 8.866 1.00 0.00 C ATOM 107 O LYS A 8 -9.691 1.434 9.655 1.00 0.00 O ATOM 108 CB LYS A 8 -12.013 3.821 9.674 1.00 0.00 C ATOM 109 CG LYS A 8 -12.965 2.715 9.161 1.00 0.00 C ATOM 110 CD LYS A 8 -12.972 1.489 10.105 1.00 0.00 C ATOM 111 CE LYS A 8 -12.056 1.702 11.277 1.00 0.00 C ATOM 112 NZ LYS A 8 -11.973 0.480 12.123 1.00 0.00 N ATOM 0 H LYS A 8 -11.193 5.052 7.753 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.906 3.885 9.973 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -12.020 3.829 10.764 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.377 4.794 9.345 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.975 3.115 9.075 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.659 2.404 8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.986 1.306 10.461 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.662 0.601 9.554 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.061 1.969 10.921 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.416 2.539 11.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.417 0.686 12.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.931 0.182 12.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.513 -0.283 11.586 1.00 0.00 H new ATOM 126 N ILE A 9 -10.782 1.719 7.678 1.00 0.00 N ATOM 127 CA ILE A 9 -10.591 0.339 7.256 1.00 0.00 C ATOM 128 C ILE A 9 -9.125 0.064 7.246 1.00 0.00 C ATOM 129 O ILE A 9 -8.697 -0.935 7.616 1.00 0.00 O ATOM 130 CB ILE A 9 -11.297 0.054 5.919 1.00 0.00 C ATOM 131 CG1 ILE A 9 -12.783 -0.221 6.153 1.00 0.00 C ATOM 132 CG2 ILE A 9 -10.640 -1.122 5.213 1.00 0.00 C ATOM 133 CD1 ILE A 9 -13.528 -0.613 4.896 1.00 0.00 C ATOM 0 H ILE A 9 -11.269 2.305 7.000 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.060 -0.352 7.956 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.204 0.933 5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.886 -1.017 6.890 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.247 0.669 6.578 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.151 -1.311 4.269 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.593 -0.891 5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.705 -2.008 5.845 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.576 -0.793 5.135 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -13.456 0.192 4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.089 -1.521 4.481 1.00 0.00 H new ATOM 145 N PHE A 10 -8.405 0.847 6.533 1.00 0.00 N ATOM 146 CA PHE A 10 -7.010 0.530 6.254 1.00 0.00 C ATOM 147 C PHE A 10 -6.162 0.648 7.515 1.00 0.00 C ATOM 148 O PHE A 10 -5.226 -0.125 7.730 1.00 0.00 O ATOM 149 CB PHE A 10 -6.462 1.462 5.175 1.00 0.00 C ATOM 150 CG PHE A 10 -5.082 1.976 5.472 1.00 0.00 C ATOM 151 CD1 PHE A 10 -3.992 1.533 4.741 1.00 0.00 C ATOM 152 CD2 PHE A 10 -4.875 2.900 6.482 1.00 0.00 C ATOM 153 CE1 PHE A 10 -2.720 2.003 5.012 1.00 0.00 C ATOM 154 CE2 PHE A 10 -3.608 3.374 6.759 1.00 0.00 C ATOM 155 CZ PHE A 10 -2.529 2.925 6.023 1.00 0.00 C ATOM 0 H PHE A 10 -8.737 1.719 6.121 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.962 -0.499 5.899 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.447 0.933 4.222 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.139 2.308 5.059 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.137 0.812 3.950 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.715 3.255 7.061 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.878 1.650 4.435 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.461 4.095 7.550 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.537 3.294 6.238 1.00 0.00 H new ATOM 165 N VAL A 11 -6.583 1.373 8.618 1.00 0.00 N ATOM 166 CA VAL A 11 -5.842 1.613 9.844 1.00 0.00 C ATOM 167 C VAL A 11 -5.714 0.352 10.694 1.00 0.00 C ATOM 168 O VAL A 11 -4.618 0.010 11.135 1.00 0.00 O ATOM 169 CB VAL A 11 -6.507 2.716 10.691 1.00 0.00 C ATOM 170 CG1 VAL A 11 -5.857 2.803 12.063 1.00 0.00 C ATOM 171 CG2 VAL A 11 -6.436 4.055 9.973 1.00 0.00 C ATOM 0 H VAL A 11 -7.503 1.814 8.639 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.846 1.934 9.539 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.557 2.459 10.829 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.340 3.587 12.646 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.966 1.849 12.578 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.798 3.035 11.950 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.910 4.822 10.585 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.393 4.321 9.802 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.954 3.983 9.017 1.00 0.00 H new ATOM 181 N GLN A 12 -6.863 -0.159 11.079 1.00 0.00 N ATOM 182 CA GLN A 12 -6.810 -1.410 11.901 1.00 0.00 C ATOM 183 C GLN A 12 -6.441 -2.560 11.017 1.00 0.00 C ATOM 184 O GLN A 12 -5.463 -3.258 11.166 1.00 0.00 O ATOM 185 CB GLN A 12 -8.188 -1.625 12.587 1.00 0.00 C ATOM 186 CG GLN A 12 -9.374 -1.440 11.656 1.00 0.00 C ATOM 187 CD GLN A 12 -10.017 -2.799 11.303 1.00 0.00 C ATOM 188 OE1 GLN A 12 -9.228 -3.875 11.257 1.00 0.00 O flip ATOM 189 NE2 GLN A 12 -11.249 -2.813 11.075 1.00 0.00 N flip ATOM 0 H GLN A 12 -7.790 0.213 10.873 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.054 -1.330 12.682 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.221 -2.630 13.006 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.281 -0.929 13.420 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.115 -0.795 12.128 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.050 -0.939 10.744 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.788 -1.948 11.129 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.713 -3.689 10.835 1.00 0.00 H new ATOM 198 N LYS A 13 -7.108 -2.605 9.905 1.00 0.00 N ATOM 199 CA LYS A 13 -6.862 -3.285 8.667 1.00 0.00 C ATOM 200 C LYS A 13 -5.512 -3.986 8.658 1.00 0.00 C ATOM 201 O LYS A 13 -5.333 -5.241 8.321 1.00 0.00 O ATOM 202 CB LYS A 13 -6.985 -2.420 7.427 1.00 0.00 C ATOM 203 CG LYS A 13 -6.240 -2.944 6.236 1.00 0.00 C ATOM 204 CD LYS A 13 -7.034 -4.164 5.514 1.00 0.00 C ATOM 205 CE LYS A 13 -7.253 -3.862 4.018 1.00 0.00 C ATOM 206 NZ LYS A 13 -8.671 -4.228 3.634 1.00 0.00 N ATOM 0 H LYS A 13 -7.979 -2.079 9.837 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.663 -4.022 8.616 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.039 -2.323 7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.620 -1.419 7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.086 -2.137 5.520 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.253 -3.287 6.547 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.468 -5.089 5.624 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.996 -4.319 6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.071 -2.806 3.818 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.543 -4.427 3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.897 -3.814 2.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.761 -5.263 3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.330 -3.859 4.348 1.00 0.00 H new ATOM 220 N CYS A 14 -4.406 -3.252 8.739 1.00 0.00 N ATOM 221 CA CYS A 14 -3.030 -3.712 8.746 1.00 0.00 C ATOM 222 C CYS A 14 -2.002 -2.710 9.024 1.00 0.00 C ATOM 223 O CYS A 14 -0.819 -2.772 8.730 1.00 0.00 O ATOM 224 CB CYS A 14 -2.595 -4.628 7.517 1.00 0.00 C ATOM 225 SG CYS A 14 -3.179 -4.058 5.804 1.00 0.00 S ATOM 0 H CYS A 14 -4.459 -2.236 8.807 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.072 -4.354 9.626 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.507 -4.692 7.505 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.972 -5.636 7.690 1.00 0.00 H new ATOM 230 N ALA A 15 -2.552 -1.414 9.361 1.00 0.00 N ATOM 231 CA ALA A 15 -1.741 -0.252 9.596 1.00 0.00 C ATOM 232 C ALA A 15 -0.567 -0.606 10.608 1.00 0.00 C ATOM 233 O ALA A 15 0.523 0.025 10.416 1.00 0.00 O ATOM 234 CB ALA A 15 -2.561 0.933 10.148 1.00 0.00 C ATOM 0 H ALA A 15 -3.553 -1.240 9.454 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.327 0.053 8.635 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.903 1.787 10.309 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.337 1.203 9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.022 0.647 11.093 1.00 0.00 H new ATOM 240 N GLN A 16 -0.584 -1.711 11.483 1.00 0.00 N ATOM 241 CA GLN A 16 0.548 -2.097 12.361 1.00 0.00 C ATOM 242 C GLN A 16 1.774 -2.520 11.532 1.00 0.00 C ATOM 243 O GLN A 16 2.908 -2.251 11.936 1.00 0.00 O ATOM 244 CB GLN A 16 0.098 -3.198 13.287 1.00 0.00 C ATOM 245 CG GLN A 16 -1.446 -3.345 13.470 1.00 0.00 C ATOM 246 CD GLN A 16 -1.819 -4.123 14.669 1.00 0.00 C ATOM 247 OE1 GLN A 16 -2.557 -5.100 14.574 1.00 0.00 O ATOM 248 NE2 GLN A 16 -1.294 -3.772 15.836 1.00 0.00 N ATOM 0 H GLN A 16 -1.390 -2.329 11.572 1.00 0.00 H new ATOM 0 HA GLN A 16 0.854 -1.237 12.957 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.492 -4.144 12.915 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.546 -3.029 14.266 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.894 -2.353 13.535 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.866 -3.827 12.587 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.683 -2.957 15.896 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.501 -4.317 16.673 1.00 0.00 H new ATOM 257 N CYS A 17 1.526 -3.203 10.486 1.00 0.00 N ATOM 258 CA CYS A 17 2.604 -3.662 9.598 1.00 0.00 C ATOM 259 C CYS A 17 3.189 -2.539 8.781 1.00 0.00 C ATOM 260 O CYS A 17 4.285 -2.585 8.290 1.00 0.00 O ATOM 261 CB CYS A 17 2.098 -4.795 8.711 1.00 0.00 C ATOM 262 SG CYS A 17 1.970 -6.453 9.482 1.00 0.00 S ATOM 0 H CYS A 17 0.589 -3.477 10.191 1.00 0.00 H new ATOM 0 HA CYS A 17 3.415 -4.039 10.221 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.113 -4.518 8.335 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.759 -4.872 7.848 1.00 0.00 H new ATOM 267 N HIS A 18 2.368 -1.479 8.628 1.00 0.00 N ATOM 268 CA HIS A 18 2.809 -0.328 7.845 1.00 0.00 C ATOM 269 C HIS A 18 3.005 0.921 8.752 1.00 0.00 C ATOM 270 O HIS A 18 2.992 2.046 8.242 1.00 0.00 O ATOM 271 CB HIS A 18 1.729 -0.007 6.777 1.00 0.00 C ATOM 272 CG HIS A 18 1.455 -1.174 5.886 1.00 0.00 C ATOM 273 ND1 HIS A 18 1.537 -1.086 4.526 1.00 0.00 N ATOM 274 CD2 HIS A 18 1.049 -2.418 6.152 1.00 0.00 C ATOM 275 CE1 HIS A 18 1.235 -2.279 3.972 1.00 0.00 C ATOM 276 NE2 HIS A 18 0.894 -3.061 4.975 1.00 0.00 N ATOM 0 H HIS A 18 1.431 -1.404 9.024 1.00 0.00 H new ATOM 0 HA HIS A 18 3.762 -0.570 7.374 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.807 0.293 7.274 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.057 0.840 6.174 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.789 -0.245 4.007 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.876 -2.835 7.133 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.266 -2.538 2.924 1.00 0.00 H new ATOM 284 N THR A 19 3.231 0.663 10.041 1.00 0.00 N ATOM 285 CA THR A 19 3.421 1.715 10.990 1.00 0.00 C ATOM 286 C THR A 19 2.358 2.808 10.836 1.00 0.00 C ATOM 287 O THR A 19 1.702 2.946 9.843 1.00 0.00 O ATOM 288 CB THR A 19 4.813 2.339 10.766 1.00 0.00 C ATOM 289 OG1 THR A 19 5.846 1.359 10.815 1.00 0.00 O ATOM 290 CG2 THR A 19 5.180 3.358 11.840 1.00 0.00 C ATOM 0 H THR A 19 3.284 -0.276 10.435 1.00 0.00 H new ATOM 0 HA THR A 19 3.337 1.294 11.992 1.00 0.00 H new ATOM 0 HB THR A 19 4.743 2.810 9.785 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.432 1.539 11.580 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.170 3.765 11.632 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.448 4.166 11.840 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.185 2.872 12.816 1.00 0.00 H new ATOM 298 N VAL A 20 2.194 3.586 11.897 1.00 0.00 N ATOM 299 CA VAL A 20 1.215 4.689 11.935 1.00 0.00 C ATOM 300 C VAL A 20 1.770 5.938 11.299 1.00 0.00 C ATOM 301 O VAL A 20 2.486 5.900 10.318 1.00 0.00 O ATOM 302 CB VAL A 20 0.679 4.959 13.383 1.00 0.00 C ATOM 303 CG1 VAL A 20 -0.669 5.670 13.342 1.00 0.00 C ATOM 304 CG2 VAL A 20 0.588 3.682 14.196 1.00 0.00 C ATOM 0 H VAL A 20 2.729 3.479 12.759 1.00 0.00 H new ATOM 0 HA VAL A 20 0.356 4.374 11.342 1.00 0.00 H new ATOM 0 HB VAL A 20 1.397 5.613 13.878 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.019 5.846 14.359 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.562 6.624 12.825 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.392 5.050 12.812 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.212 3.912 15.193 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.091 2.985 13.704 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.577 3.230 14.276 1.00 0.00 H new ATOM 314 N GLU A 21 1.376 7.090 11.914 1.00 0.00 N ATOM 315 CA GLU A 21 1.965 8.398 11.475 1.00 0.00 C ATOM 316 C GLU A 21 3.480 8.504 11.542 1.00 0.00 C ATOM 317 O GLU A 21 4.091 7.965 12.499 1.00 0.00 O ATOM 318 CB GLU A 21 1.173 9.520 12.197 1.00 0.00 C ATOM 319 CG GLU A 21 0.082 9.049 13.114 1.00 0.00 C ATOM 320 CD GLU A 21 -0.564 10.222 13.875 1.00 0.00 C ATOM 321 OE1 GLU A 21 -1.743 10.027 14.336 1.00 0.00 O ATOM 322 OE2 GLU A 21 0.028 11.261 14.002 1.00 0.00 O ATOM 0 H GLU A 21 0.695 7.148 12.671 1.00 0.00 H new ATOM 0 HA GLU A 21 1.839 8.504 10.397 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.874 10.123 12.774 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.734 10.174 11.444 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.680 8.526 12.536 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.489 8.332 13.827 1.00 0.00 H new ATOM 329 N LYS A 22 4.072 9.168 10.560 1.00 0.00 N ATOM 330 CA LYS A 22 5.517 9.354 10.537 1.00 0.00 C ATOM 331 C LYS A 22 5.982 9.912 11.866 1.00 0.00 C ATOM 332 O LYS A 22 5.567 11.009 12.318 1.00 0.00 O ATOM 333 CB LYS A 22 5.885 10.318 9.440 1.00 0.00 C ATOM 334 CG LYS A 22 7.345 10.202 9.034 1.00 0.00 C ATOM 335 CD LYS A 22 8.288 10.273 10.252 1.00 0.00 C ATOM 336 CE LYS A 22 8.075 11.592 10.970 1.00 0.00 C ATOM 337 NZ LYS A 22 8.845 11.652 12.219 1.00 0.00 N ATOM 0 H LYS A 22 3.578 9.586 9.772 1.00 0.00 H new ATOM 0 HA LYS A 22 5.998 8.392 10.357 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.253 10.134 8.571 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.682 11.336 9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.502 9.260 8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.592 11.002 8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.092 9.441 10.928 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.325 10.184 9.930 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.370 12.415 10.319 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.015 11.723 11.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.196 11.781 13.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.376 10.766 12.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.509 12.451 12.179 1.00 0.00 H new ATOM 351 N GLY A 23 6.874 9.165 12.506 1.00 0.00 N ATOM 352 CA GLY A 23 7.448 9.599 13.799 1.00 0.00 C ATOM 353 C GLY A 23 7.732 8.394 14.671 1.00 0.00 C ATOM 354 O GLY A 23 8.735 8.450 15.483 1.00 0.00 O ATOM 0 H GLY A 23 7.219 8.267 12.167 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.367 10.159 13.628 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.755 10.270 14.307 1.00 0.00 H new ATOM 358 N GLY A 24 6.979 7.322 14.529 1.00 0.00 N ATOM 359 CA GLY A 24 7.170 6.134 15.324 1.00 0.00 C ATOM 360 C GLY A 24 8.352 5.283 14.832 1.00 0.00 C ATOM 361 O GLY A 24 9.423 5.847 14.585 1.00 0.00 O ATOM 0 H GLY A 24 6.216 7.254 13.856 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.338 6.418 16.363 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.260 5.535 15.301 1.00 0.00 H new ATOM 365 N LYS A 25 8.116 4.001 14.620 1.00 0.00 N ATOM 366 CA LYS A 25 9.148 3.098 14.122 1.00 0.00 C ATOM 367 C LYS A 25 8.800 2.658 12.743 1.00 0.00 C ATOM 368 O LYS A 25 7.640 2.653 12.283 1.00 0.00 O ATOM 369 CB LYS A 25 9.280 1.870 15.071 1.00 0.00 C ATOM 370 CG LYS A 25 8.531 2.031 16.357 1.00 0.00 C ATOM 371 CD LYS A 25 8.000 0.695 16.865 1.00 0.00 C ATOM 372 CE LYS A 25 7.108 0.024 15.884 1.00 0.00 C ATOM 373 NZ LYS A 25 7.622 -1.335 15.467 1.00 0.00 N ATOM 0 H LYS A 25 7.213 3.556 14.785 1.00 0.00 H new ATOM 0 HA LYS A 25 10.106 3.618 14.095 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.916 0.981 14.556 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.334 1.702 15.291 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.186 2.473 17.108 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.701 2.722 16.212 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.839 0.039 17.096 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.455 0.855 17.796 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.114 -0.085 16.317 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.004 0.656 15.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.964 -1.760 14.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.559 -1.232 15.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.697 -1.949 16.303 1.00 0.00 H new ATOM 387 N HIS A 26 9.858 2.235 11.966 1.00 0.00 N ATOM 388 CA HIS A 26 9.656 1.804 10.607 1.00 0.00 C ATOM 389 C HIS A 26 8.817 0.530 10.598 1.00 0.00 C ATOM 390 O HIS A 26 8.930 -0.341 11.458 1.00 0.00 O ATOM 391 CB HIS A 26 11.001 1.483 9.963 1.00 0.00 C ATOM 392 CG HIS A 26 12.206 1.769 10.873 1.00 0.00 C ATOM 393 ND1 HIS A 26 12.440 1.080 12.021 1.00 0.00 N ATOM 394 CD2 HIS A 26 13.212 2.654 10.719 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.489 1.537 12.586 1.00 0.00 C ATOM 396 NE2 HIS A 26 14.019 2.522 11.835 1.00 0.00 N ATOM 0 H HIS A 26 10.826 2.198 12.285 1.00 0.00 H new ATOM 0 HA HIS A 26 9.153 2.599 10.057 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.015 0.431 9.677 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.103 2.064 9.047 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.358 3.331 9.890 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.891 1.187 13.525 1.00 0.00 H new ATOM 0 HE2 HIS A 26 14.855 3.066 12.048 1.00 0.00 H new ATOM 405 N LYS A 27 7.919 0.442 9.554 1.00 0.00 N ATOM 406 CA LYS A 27 7.030 -0.704 9.402 1.00 0.00 C ATOM 407 C LYS A 27 7.709 -1.819 8.616 1.00 0.00 C ATOM 408 O LYS A 27 8.815 -1.618 8.105 1.00 0.00 O ATOM 409 CB LYS A 27 5.743 -0.281 8.694 1.00 0.00 C ATOM 410 CG LYS A 27 5.838 -0.335 7.194 1.00 0.00 C ATOM 411 CD LYS A 27 5.358 0.889 6.550 1.00 0.00 C ATOM 412 CE LYS A 27 5.795 2.142 7.286 1.00 0.00 C ATOM 413 NZ LYS A 27 6.394 3.165 6.383 1.00 0.00 N ATOM 0 H LYS A 27 7.815 1.154 8.831 1.00 0.00 H new ATOM 0 HA LYS A 27 6.788 -1.080 10.396 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.928 -0.927 9.022 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.487 0.734 8.998 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.875 -0.509 6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.259 -1.183 6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.728 0.926 5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.270 0.864 6.495 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.936 2.575 7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.521 1.872 8.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.311 3.472 6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.534 2.755 5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.756 3.983 6.314 1.00 0.00 H new ATOM 427 N THR A 28 7.077 -2.961 8.578 1.00 0.00 N ATOM 428 CA THR A 28 7.583 -4.113 7.812 1.00 0.00 C ATOM 429 C THR A 28 7.610 -3.843 6.311 1.00 0.00 C ATOM 430 O THR A 28 8.553 -4.227 5.618 1.00 0.00 O ATOM 431 CB THR A 28 6.751 -5.363 8.104 1.00 0.00 C ATOM 432 OG1 THR A 28 6.172 -5.266 9.420 1.00 0.00 O ATOM 433 CG2 THR A 28 7.549 -6.695 8.043 1.00 0.00 C ATOM 0 H THR A 28 6.200 -3.138 9.068 1.00 0.00 H new ATOM 0 HA THR A 28 8.611 -4.281 8.135 1.00 0.00 H new ATOM 0 HB THR A 28 5.997 -5.394 7.318 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.289 -4.845 9.359 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.882 -7.529 8.262 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.971 -6.821 7.046 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.354 -6.671 8.778 1.00 0.00 H new ATOM 441 N GLY A 29 6.634 -3.169 5.862 1.00 0.00 N ATOM 442 CA GLY A 29 6.495 -2.868 4.401 1.00 0.00 C ATOM 443 C GLY A 29 6.067 -1.450 4.146 1.00 0.00 C ATOM 444 O GLY A 29 5.270 -0.886 4.930 1.00 0.00 O ATOM 0 H GLY A 29 5.887 -2.789 6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.447 -3.052 3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.767 -3.549 3.960 1.00 0.00 H new ATOM 448 N PRO A 30 6.489 -0.842 3.072 1.00 0.00 N ATOM 449 CA PRO A 30 6.115 0.529 2.722 1.00 0.00 C ATOM 450 C PRO A 30 4.636 0.838 2.983 1.00 0.00 C ATOM 451 O PRO A 30 3.807 0.117 2.351 1.00 0.00 O ATOM 452 CB PRO A 30 6.517 0.645 1.160 1.00 0.00 C ATOM 453 CG PRO A 30 7.672 -0.267 1.021 1.00 0.00 C ATOM 454 CD PRO A 30 7.412 -1.398 2.067 1.00 0.00 C ATOM 0 HA PRO A 30 6.627 1.266 3.341 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.693 0.347 0.512 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.781 1.668 0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.739 -0.670 0.010 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.611 0.249 1.221 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.979 -2.276 1.588 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.345 -1.716 2.533 1.00 0.00 H new ATOM 462 N ASN A 31 4.332 1.826 3.750 1.00 0.00 N ATOM 463 CA ASN A 31 2.979 2.179 4.040 1.00 0.00 C ATOM 464 C ASN A 31 2.205 2.458 2.756 1.00 0.00 C ATOM 465 O ASN A 31 1.185 1.747 2.465 1.00 0.00 O ATOM 466 CB ASN A 31 2.899 3.410 4.956 1.00 0.00 C ATOM 467 CG ASN A 31 1.696 3.378 5.908 1.00 0.00 C ATOM 468 OD1 ASN A 31 0.934 2.411 5.938 1.00 0.00 O ATOM 469 ND2 ASN A 31 1.553 4.457 6.645 1.00 0.00 N ATOM 0 H ASN A 31 5.024 2.423 4.202 1.00 0.00 H new ATOM 0 HA ASN A 31 2.532 1.330 4.557 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.816 3.479 5.542 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.844 4.309 4.342 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.770 4.531 7.295 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.225 5.221 6.567 1.00 0.00 H new ATOM 476 N LEU A 32 2.578 3.492 1.982 1.00 0.00 N ATOM 477 CA LEU A 32 1.962 3.836 0.801 1.00 0.00 C ATOM 478 C LEU A 32 2.754 4.988 -0.001 1.00 0.00 C ATOM 479 O LEU A 32 2.711 5.048 -1.281 1.00 0.00 O ATOM 480 CB LEU A 32 0.528 4.292 0.801 1.00 0.00 C ATOM 481 CG LEU A 32 0.007 5.468 1.638 1.00 0.00 C ATOM 482 CD1 LEU A 32 0.587 5.413 3.042 1.00 0.00 C ATOM 483 CD2 LEU A 32 0.402 6.753 0.950 1.00 0.00 C ATOM 0 H LEU A 32 3.358 4.104 2.221 1.00 0.00 H new ATOM 0 HA LEU A 32 1.980 2.850 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.280 4.521 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.068 3.426 1.087 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.078 5.415 1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.209 6.253 3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.294 4.478 3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.674 5.468 2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.040 7.602 1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.488 6.804 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.037 6.782 -0.047 1.00 0.00 H new ATOM 495 N HIS A 33 3.444 5.759 0.746 1.00 0.00 N ATOM 496 CA HIS A 33 4.256 6.847 0.182 1.00 0.00 C ATOM 497 C HIS A 33 5.099 6.358 -0.968 1.00 0.00 C ATOM 498 O HIS A 33 5.896 5.432 -0.803 1.00 0.00 O ATOM 499 CB HIS A 33 5.101 7.492 1.261 1.00 0.00 C ATOM 500 CG HIS A 33 4.983 8.975 1.346 1.00 0.00 C ATOM 501 ND1 HIS A 33 5.926 9.804 1.875 1.00 0.00 N ATOM 502 CD2 HIS A 33 3.943 9.794 0.960 1.00 0.00 C ATOM 503 CE1 HIS A 33 5.551 11.066 1.788 1.00 0.00 C ATOM 504 NE2 HIS A 33 4.347 11.074 1.264 1.00 0.00 N ATOM 0 H HIS A 33 3.485 5.683 1.762 1.00 0.00 H new ATOM 0 HA HIS A 33 3.583 7.608 -0.215 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.823 7.064 2.224 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.146 7.234 1.087 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.007 9.494 0.513 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.126 11.929 2.090 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.789 11.913 1.104 1.00 0.00 H new ATOM 513 N GLY A 34 4.941 6.977 -2.133 1.00 0.00 N ATOM 514 CA GLY A 34 5.719 6.585 -3.292 1.00 0.00 C ATOM 515 C GLY A 34 5.288 5.243 -3.852 1.00 0.00 C ATOM 516 O GLY A 34 6.050 4.629 -4.652 1.00 0.00 O ATOM 0 H GLY A 34 4.288 7.743 -2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.622 7.346 -4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.774 6.540 -3.020 1.00 0.00 H new ATOM 520 N LEU A 35 4.107 4.836 -3.473 1.00 0.00 N ATOM 521 CA LEU A 35 3.571 3.520 -3.926 1.00 0.00 C ATOM 522 C LEU A 35 3.444 3.514 -5.443 1.00 0.00 C ATOM 523 O LEU A 35 3.867 2.577 -6.120 1.00 0.00 O ATOM 524 CB LEU A 35 2.227 3.242 -3.290 1.00 0.00 C ATOM 525 CG LEU A 35 1.647 1.842 -3.549 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.654 0.762 -3.185 1.00 0.00 C ATOM 527 CD2 LEU A 35 0.257 1.657 -2.789 1.00 0.00 C ATOM 0 H LEU A 35 3.484 5.365 -2.862 1.00 0.00 H new ATOM 0 HA LEU A 35 4.263 2.736 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.318 3.385 -2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.514 3.984 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 35 1.445 1.740 -4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.220 -0.219 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.554 0.885 -3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.911 0.845 -2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.136 0.659 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.409 1.782 -1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.454 2.403 -3.144 1.00 0.00 H new ATOM 539 N PHE A 36 2.845 4.612 -5.982 1.00 0.00 N ATOM 540 CA PHE A 36 2.627 4.697 -7.406 1.00 0.00 C ATOM 541 C PHE A 36 3.490 5.805 -8.020 1.00 0.00 C ATOM 542 O PHE A 36 3.311 6.248 -9.146 1.00 0.00 O ATOM 543 CB PHE A 36 1.073 5.034 -7.734 1.00 0.00 C ATOM 544 CG PHE A 36 0.122 4.498 -6.664 1.00 0.00 C ATOM 545 CD1 PHE A 36 -0.503 3.290 -6.801 1.00 0.00 C ATOM 546 CD2 PHE A 36 -0.199 5.253 -5.537 1.00 0.00 C ATOM 547 CE1 PHE A 36 -1.351 2.775 -5.857 1.00 0.00 C ATOM 548 CE2 PHE A 36 -1.032 4.809 -4.589 1.00 0.00 C ATOM 549 CZ PHE A 36 -1.632 3.531 -4.738 1.00 0.00 C ATOM 0 H PHE A 36 2.521 5.417 -5.447 1.00 0.00 H new ATOM 0 HA PHE A 36 2.897 3.731 -7.832 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.948 6.113 -7.819 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.807 4.605 -8.700 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.319 2.714 -7.696 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.241 6.233 -5.425 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.791 1.797 -5.986 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.245 5.415 -3.721 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.303 3.154 -3.981 1.00 0.00 H new ATOM 559 N GLY A 37 4.484 6.228 -7.245 1.00 0.00 N ATOM 560 CA GLY A 37 5.424 7.258 -7.700 1.00 0.00 C ATOM 561 C GLY A 37 6.842 6.811 -7.615 1.00 0.00 C ATOM 562 O GLY A 37 7.635 7.156 -8.492 1.00 0.00 O ATOM 0 H GLY A 37 4.663 5.879 -6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.192 7.528 -8.730 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.293 8.157 -7.098 1.00 0.00 H new ATOM 566 N ARG A 38 7.192 6.079 -6.563 1.00 0.00 N ATOM 567 CA ARG A 38 8.551 5.566 -6.401 1.00 0.00 C ATOM 568 C ARG A 38 8.727 4.197 -7.050 1.00 0.00 C ATOM 569 O ARG A 38 7.727 3.598 -7.446 1.00 0.00 O ATOM 570 CB ARG A 38 8.864 5.482 -4.876 1.00 0.00 C ATOM 571 CG ARG A 38 8.941 6.803 -4.190 1.00 0.00 C ATOM 572 CD ARG A 38 9.635 6.687 -2.842 1.00 0.00 C ATOM 573 NE ARG A 38 10.755 7.618 -2.721 1.00 0.00 N ATOM 574 CZ ARG A 38 10.668 8.945 -2.964 1.00 0.00 C ATOM 575 NH1 ARG A 38 9.541 9.446 -3.394 1.00 0.00 N ATOM 576 NH2 ARG A 38 11.731 9.725 -2.831 1.00 0.00 N ATOM 0 H ARG A 38 6.554 5.826 -5.808 1.00 0.00 H new ATOM 0 HA ARG A 38 9.244 6.244 -6.900 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.095 4.879 -4.392 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.811 4.960 -4.740 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.481 7.511 -4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.936 7.202 -4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.916 6.880 -2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.995 5.667 -2.706 1.00 0.00 H new ATOM 0 HE ARG A 38 11.659 7.243 -2.435 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.736 8.837 -3.544 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.466 10.446 -3.580 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.624 9.325 -2.543 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.656 10.725 -3.016 1.00 0.00 H new ATOM 590 N LYS A 39 9.975 3.757 -7.177 1.00 0.00 N ATOM 591 CA LYS A 39 10.238 2.485 -7.818 1.00 0.00 C ATOM 592 C LYS A 39 9.471 1.388 -7.179 1.00 0.00 C ATOM 593 O LYS A 39 8.340 1.085 -7.516 1.00 0.00 O ATOM 594 CB LYS A 39 11.766 2.175 -7.775 1.00 0.00 C ATOM 595 CG LYS A 39 12.129 0.910 -8.528 1.00 0.00 C ATOM 596 CD LYS A 39 11.027 0.432 -9.447 1.00 0.00 C ATOM 597 CE LYS A 39 10.730 1.472 -10.512 1.00 0.00 C ATOM 598 NZ LYS A 39 9.437 1.223 -11.201 1.00 0.00 N ATOM 0 H LYS A 39 10.802 4.256 -6.850 1.00 0.00 H new ATOM 0 HA LYS A 39 9.914 2.554 -8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.315 3.016 -8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.084 2.079 -6.737 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.031 1.089 -9.114 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.365 0.123 -7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.321 -0.506 -9.919 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.126 0.229 -8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.710 2.461 -10.055 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.535 1.476 -11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.972 2.131 -11.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.610 0.715 -12.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.822 0.649 -10.589 1.00 0.00 H new ATOM 612 N THR A 40 10.122 0.515 -6.438 1.00 0.00 N ATOM 613 CA THR A 40 9.394 -0.398 -5.540 1.00 0.00 C ATOM 614 C THR A 40 10.097 -0.520 -4.101 1.00 0.00 C ATOM 615 O THR A 40 11.045 -1.116 -3.851 1.00 0.00 O ATOM 616 CB THR A 40 9.216 -1.808 -5.939 1.00 0.00 C ATOM 617 OG1 THR A 40 10.419 -2.508 -6.157 1.00 0.00 O ATOM 618 CG2 THR A 40 8.132 -2.158 -6.790 1.00 0.00 C ATOM 0 H THR A 40 11.136 0.408 -6.429 1.00 0.00 H new ATOM 0 HA THR A 40 8.422 0.095 -5.559 1.00 0.00 H new ATOM 0 HB THR A 40 8.809 -2.215 -5.013 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.050 -2.307 -5.434 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.152 -3.231 -6.982 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.191 -1.892 -6.308 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.221 -1.619 -7.733 1.00 0.00 H new ATOM 626 N GLY A 41 9.186 -0.075 -3.170 1.00 0.00 N ATOM 627 CA GLY A 41 9.591 -0.144 -1.779 1.00 0.00 C ATOM 628 C GLY A 41 10.979 0.334 -1.475 1.00 0.00 C ATOM 629 O GLY A 41 11.662 -0.219 -0.642 1.00 0.00 O ATOM 0 H GLY A 41 8.256 0.298 -3.360 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.888 0.442 -1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.503 -1.178 -1.446 1.00 0.00 H new ATOM 633 N GLN A 42 11.378 1.414 -2.186 1.00 0.00 N ATOM 634 CA GLN A 42 12.672 2.006 -1.988 1.00 0.00 C ATOM 635 C GLN A 42 12.602 3.257 -1.128 1.00 0.00 C ATOM 636 O GLN A 42 13.251 4.259 -1.389 1.00 0.00 O ATOM 637 CB GLN A 42 13.302 2.354 -3.308 1.00 0.00 C ATOM 638 CG GLN A 42 12.309 2.484 -4.462 1.00 0.00 C ATOM 639 CD GLN A 42 11.157 3.409 -4.126 1.00 0.00 C ATOM 640 OE1 GLN A 42 11.365 4.553 -3.722 1.00 0.00 O ATOM 641 NE2 GLN A 42 9.930 2.900 -4.328 1.00 0.00 N ATOM 0 H GLN A 42 10.806 1.874 -2.894 1.00 0.00 H new ATOM 0 HA GLN A 42 13.280 1.265 -1.469 1.00 0.00 H new ATOM 0 HB2 GLN A 42 13.844 3.294 -3.202 1.00 0.00 H new ATOM 0 HB3 GLN A 42 14.036 1.589 -3.560 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.828 2.859 -5.345 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.919 1.498 -4.716 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.824 1.943 -4.665 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.105 3.471 -4.145 1.00 0.00 H new ATOM 650 N ALA A 43 11.829 3.135 0.009 1.00 0.00 N ATOM 651 CA ALA A 43 11.675 4.248 0.938 1.00 0.00 C ATOM 652 C ALA A 43 13.060 4.748 1.426 1.00 0.00 C ATOM 653 O ALA A 43 14.073 4.200 1.077 1.00 0.00 O ATOM 654 CB ALA A 43 10.813 3.832 2.122 1.00 0.00 C ATOM 0 H ALA A 43 11.327 2.287 0.273 1.00 0.00 H new ATOM 0 HA ALA A 43 11.179 5.067 0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.706 4.673 2.808 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.829 3.527 1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.286 2.998 2.641 1.00 0.00 H new ATOM 660 N PRO A 44 13.034 5.849 2.250 1.00 0.00 N ATOM 661 CA PRO A 44 14.259 6.427 2.747 1.00 0.00 C ATOM 662 C PRO A 44 14.816 5.679 3.955 1.00 0.00 C ATOM 663 O PRO A 44 15.417 4.607 3.820 1.00 0.00 O ATOM 664 CB PRO A 44 13.806 7.847 3.185 1.00 0.00 C ATOM 665 CG PRO A 44 12.376 7.653 3.599 1.00 0.00 C ATOM 666 CD PRO A 44 11.856 6.550 2.666 1.00 0.00 C ATOM 0 HA PRO A 44 15.053 6.403 2.001 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.413 8.225 4.008 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.893 8.564 2.369 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.302 7.356 4.645 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.801 8.572 3.487 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.161 5.888 3.183 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.322 6.970 1.814 1.00 0.00 H new ATOM 674 N GLY A 45 14.599 6.178 5.166 1.00 0.00 N ATOM 675 CA GLY A 45 15.082 5.526 6.370 1.00 0.00 C ATOM 676 C GLY A 45 14.349 4.280 6.708 1.00 0.00 C ATOM 677 O GLY A 45 14.560 3.651 7.779 1.00 0.00 O ATOM 0 H GLY A 45 14.085 7.042 5.337 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.140 5.293 6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.004 6.221 7.206 1.00 0.00 H new ATOM 681 N PHE A 46 13.446 3.853 5.822 1.00 0.00 N ATOM 682 CA PHE A 46 12.618 2.698 5.994 1.00 0.00 C ATOM 683 C PHE A 46 13.394 1.451 5.585 1.00 0.00 C ATOM 684 O PHE A 46 14.033 1.401 4.522 1.00 0.00 O ATOM 685 CB PHE A 46 11.324 2.794 5.187 1.00 0.00 C ATOM 686 CG PHE A 46 10.427 1.569 5.330 1.00 0.00 C ATOM 687 CD1 PHE A 46 9.688 1.417 6.496 1.00 0.00 C ATOM 688 CD2 PHE A 46 10.344 0.647 4.338 1.00 0.00 C ATOM 689 CE1 PHE A 46 8.888 0.270 6.659 1.00 0.00 C ATOM 690 CE2 PHE A 46 9.518 -0.497 4.494 1.00 0.00 C ATOM 691 CZ PHE A 46 8.782 -0.651 5.622 1.00 0.00 C ATOM 0 H PHE A 46 13.279 4.333 4.938 1.00 0.00 H new ATOM 0 HA PHE A 46 12.342 2.639 7.047 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.772 3.678 5.505 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.571 2.933 4.134 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.727 2.170 7.269 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.908 0.784 3.427 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.359 0.106 7.586 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.476 -1.244 3.715 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.111 -1.492 5.716 1.00 0.00 H new ATOM 701 N THR A 47 13.322 0.404 6.441 1.00 0.00 N ATOM 702 CA THR A 47 14.045 -0.878 6.143 1.00 0.00 C ATOM 703 C THR A 47 13.230 -1.697 5.116 1.00 0.00 C ATOM 704 O THR A 47 12.252 -2.320 5.485 1.00 0.00 O ATOM 705 CB THR A 47 14.242 -1.649 7.405 1.00 0.00 C ATOM 706 OG1 THR A 47 15.590 -2.057 7.516 1.00 0.00 O ATOM 707 CG2 THR A 47 13.390 -2.853 7.532 1.00 0.00 C ATOM 0 H THR A 47 12.795 0.407 7.314 1.00 0.00 H new ATOM 0 HA THR A 47 15.025 -0.662 5.718 1.00 0.00 H new ATOM 0 HB THR A 47 13.953 -0.964 8.202 1.00 0.00 H new ATOM 0 HG1 THR A 47 15.712 -2.561 8.348 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.601 -3.350 8.479 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.340 -2.561 7.502 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.600 -3.536 6.709 1.00 0.00 H new ATOM 715 N TYR A 48 13.695 -1.670 3.862 1.00 0.00 N ATOM 716 CA TYR A 48 13.003 -2.406 2.798 1.00 0.00 C ATOM 717 C TYR A 48 13.313 -3.892 2.940 1.00 0.00 C ATOM 718 O TYR A 48 14.262 -4.338 3.532 1.00 0.00 O ATOM 719 CB TYR A 48 13.466 -1.885 1.402 1.00 0.00 C ATOM 720 CG TYR A 48 14.517 -0.817 1.502 1.00 0.00 C ATOM 721 CD1 TYR A 48 15.802 -1.102 1.948 1.00 0.00 C ATOM 722 CD2 TYR A 48 14.232 0.501 1.097 1.00 0.00 C ATOM 723 CE1 TYR A 48 16.798 -0.124 2.016 1.00 0.00 C ATOM 724 CE2 TYR A 48 15.229 1.512 1.177 1.00 0.00 C ATOM 725 CZ TYR A 48 16.462 1.183 1.608 1.00 0.00 C ATOM 726 OH TYR A 48 17.454 2.173 1.715 1.00 0.00 O ATOM 0 H TYR A 48 14.526 -1.160 3.563 1.00 0.00 H new ATOM 0 HA TYR A 48 11.927 -2.252 2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.856 -2.719 0.818 1.00 0.00 H new ATOM 0 HB3 TYR A 48 12.605 -1.492 0.861 1.00 0.00 H new ATOM 0 HD1 TYR A 48 16.038 -2.111 2.252 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.249 0.746 0.723 1.00 0.00 H new ATOM 0 HE1 TYR A 48 17.791 -0.361 2.369 1.00 0.00 H new ATOM 0 HE2 TYR A 48 15.001 2.530 0.896 1.00 0.00 H new ATOM 0 HH TYR A 48 17.097 3.030 1.401 1.00 0.00 H new ATOM 736 N THR A 49 12.412 -4.689 2.279 1.00 0.00 N ATOM 737 CA THR A 49 12.548 -6.176 2.276 1.00 0.00 C ATOM 738 C THR A 49 13.599 -6.542 1.205 1.00 0.00 C ATOM 739 O THR A 49 14.025 -5.747 0.428 1.00 0.00 O ATOM 740 CB THR A 49 11.211 -6.805 1.980 1.00 0.00 C ATOM 741 OG1 THR A 49 10.806 -6.624 0.652 1.00 0.00 O ATOM 742 CG2 THR A 49 10.147 -6.364 2.890 1.00 0.00 C ATOM 0 H THR A 49 11.609 -4.335 1.758 1.00 0.00 H new ATOM 0 HA THR A 49 12.874 -6.549 3.247 1.00 0.00 H new ATOM 0 HB THR A 49 11.371 -7.870 2.146 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.935 -7.052 0.514 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.212 -6.855 2.621 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.413 -6.626 3.914 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.026 -5.284 2.811 1.00 0.00 H new ATOM 750 N ASP A 50 13.976 -7.837 1.169 1.00 0.00 N ATOM 751 CA ASP A 50 14.944 -8.302 0.189 1.00 0.00 C ATOM 752 C ASP A 50 14.463 -7.895 -1.234 1.00 0.00 C ATOM 753 O ASP A 50 15.302 -7.565 -2.096 1.00 0.00 O ATOM 754 CB ASP A 50 15.114 -9.795 0.346 1.00 0.00 C ATOM 755 CG ASP A 50 15.562 -10.446 -1.005 1.00 0.00 C ATOM 756 OD1 ASP A 50 16.735 -10.852 -1.074 1.00 0.00 O ATOM 757 OD2 ASP A 50 14.695 -10.491 -1.912 1.00 0.00 O ATOM 0 H ASP A 50 13.625 -8.557 1.800 1.00 0.00 H new ATOM 0 HA ASP A 50 15.920 -7.842 0.343 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.854 -10.002 1.119 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.175 -10.240 0.676 1.00 0.00 H new ATOM 762 N ALA A 51 13.148 -7.966 -1.426 1.00 0.00 N ATOM 763 CA ALA A 51 12.572 -7.658 -2.739 1.00 0.00 C ATOM 764 C ALA A 51 12.675 -6.133 -3.003 1.00 0.00 C ATOM 765 O ALA A 51 13.056 -5.703 -4.126 1.00 0.00 O ATOM 766 CB ALA A 51 11.125 -8.103 -2.836 1.00 0.00 C ATOM 0 H ALA A 51 12.471 -8.228 -0.709 1.00 0.00 H new ATOM 0 HA ALA A 51 13.137 -8.206 -3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.734 -7.857 -3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.064 -9.180 -2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.535 -7.592 -2.075 1.00 0.00 H new ATOM 772 N ASN A 52 12.363 -5.318 -2.027 1.00 0.00 N ATOM 773 CA ASN A 52 12.377 -3.887 -2.185 1.00 0.00 C ATOM 774 C ASN A 52 13.794 -3.434 -2.455 1.00 0.00 C ATOM 775 O ASN A 52 14.017 -2.574 -3.322 1.00 0.00 O ATOM 776 CB ASN A 52 11.868 -3.185 -0.897 1.00 0.00 C ATOM 777 CG ASN A 52 10.410 -3.498 -0.623 1.00 0.00 C ATOM 778 OD1 ASN A 52 9.723 -4.013 -1.655 1.00 0.00 O flip ATOM 779 ND2 ASN A 52 9.905 -3.298 0.467 1.00 0.00 N flip ATOM 0 H ASN A 52 12.091 -5.631 -1.095 1.00 0.00 H new ATOM 0 HA ASN A 52 11.722 -3.623 -3.015 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.473 -3.501 -0.047 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.996 -2.107 -0.996 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.464 -2.905 1.224 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.923 -3.524 0.623 1.00 0.00 H new ATOM 786 N LYS A 53 14.757 -3.986 -1.728 1.00 0.00 N ATOM 787 CA LYS A 53 16.185 -3.643 -1.924 1.00 0.00 C ATOM 788 C LYS A 53 16.583 -3.924 -3.339 1.00 0.00 C ATOM 789 O LYS A 53 17.467 -3.266 -3.951 1.00 0.00 O ATOM 790 CB LYS A 53 17.047 -4.373 -0.923 1.00 0.00 C ATOM 791 CG LYS A 53 16.733 -5.886 -0.868 1.00 0.00 C ATOM 792 CD LYS A 53 17.812 -6.614 -0.042 1.00 0.00 C ATOM 793 CE LYS A 53 17.417 -6.658 1.460 1.00 0.00 C ATOM 794 NZ LYS A 53 17.208 -8.076 1.935 1.00 0.00 N ATOM 0 H LYS A 53 14.589 -4.674 -0.994 1.00 0.00 H new ATOM 0 HA LYS A 53 16.334 -2.578 -1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.097 -4.232 -1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 53 16.899 -3.938 0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.751 -6.047 -0.423 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.696 -6.296 -1.877 1.00 0.00 H new ATOM 0 HD2 LYS A 53 17.943 -7.628 -0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.769 -6.106 -0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.197 -6.184 2.057 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.504 -6.083 1.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.249 -8.174 2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.325 -8.731 1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.906 -8.302 2.672 1.00 0.00 H new ATOM 808 N ASN A 54 15.996 -4.957 -3.914 1.00 0.00 N ATOM 809 CA ASN A 54 16.293 -5.361 -5.282 1.00 0.00 C ATOM 810 C ASN A 54 15.617 -4.389 -6.269 1.00 0.00 C ATOM 811 O ASN A 54 15.985 -4.333 -7.470 1.00 0.00 O ATOM 812 CB ASN A 54 15.767 -6.779 -5.540 1.00 0.00 C ATOM 813 CG ASN A 54 16.397 -7.774 -4.624 1.00 0.00 C ATOM 814 OD1 ASN A 54 17.238 -7.320 -3.709 1.00 0.00 O flip ATOM 815 ND2 ASN A 54 16.149 -8.975 -4.729 1.00 0.00 N flip ATOM 0 H ASN A 54 15.301 -5.541 -3.450 1.00 0.00 H new ATOM 0 HA ASN A 54 17.373 -5.343 -5.425 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.685 -6.796 -5.408 1.00 0.00 H new ATOM 0 HB3 ASN A 54 15.966 -7.059 -6.574 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.497 -9.301 -5.443 1.00 0.00 H new ATOM 0 HD22 ASN A 54 16.596 -9.645 -4.102 1.00 0.00 H new ATOM 822 N LYS A 55 14.659 -3.603 -5.802 1.00 0.00 N ATOM 823 CA LYS A 55 13.986 -2.638 -6.630 1.00 0.00 C ATOM 824 C LYS A 55 12.992 -3.324 -7.584 1.00 0.00 C ATOM 825 O LYS A 55 13.139 -3.240 -8.802 1.00 0.00 O ATOM 826 CB LYS A 55 14.952 -1.801 -7.397 1.00 0.00 C ATOM 827 CG LYS A 55 15.710 -0.758 -6.578 1.00 0.00 C ATOM 828 CD LYS A 55 17.187 -0.712 -6.893 1.00 0.00 C ATOM 829 CE LYS A 55 17.791 -2.092 -7.029 1.00 0.00 C ATOM 830 NZ LYS A 55 19.252 -2.112 -6.784 1.00 0.00 N ATOM 0 H LYS A 55 14.332 -3.623 -4.836 1.00 0.00 H new ATOM 0 HA LYS A 55 13.427 -1.978 -5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 55 15.677 -2.459 -7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.411 -1.290 -8.193 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.275 0.225 -6.761 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.578 -0.972 -5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 55 17.341 -0.158 -7.819 1.00 0.00 H new ATOM 0 HD3 LYS A 55 17.707 -0.167 -6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 55 17.301 -2.767 -6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.591 -2.473 -8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 19.609 -3.083 -6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 19.727 -1.491 -7.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 19.447 -1.776 -5.819 1.00 0.00 H new ATOM 844 N GLY A 56 11.999 -4.005 -7.019 1.00 0.00 N ATOM 845 CA GLY A 56 11.043 -4.728 -7.846 1.00 0.00 C ATOM 846 C GLY A 56 10.404 -3.809 -8.863 1.00 0.00 C ATOM 847 O GLY A 56 11.001 -3.441 -9.826 1.00 0.00 O ATOM 0 H GLY A 56 11.838 -4.070 -6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.546 -5.549 -8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.272 -5.170 -7.215 1.00 0.00 H new ATOM 851 N ILE A 57 9.127 -3.409 -8.578 1.00 0.00 N ATOM 852 CA ILE A 57 8.454 -2.533 -9.522 1.00 0.00 C ATOM 853 C ILE A 57 7.378 -1.619 -8.910 1.00 0.00 C ATOM 854 O ILE A 57 7.017 -1.895 -7.699 1.00 0.00 O ATOM 855 CB ILE A 57 7.688 -3.291 -10.629 1.00 0.00 C ATOM 856 CG1 ILE A 57 8.059 -2.683 -11.972 1.00 0.00 C ATOM 857 CG2 ILE A 57 6.194 -3.247 -10.385 1.00 0.00 C ATOM 858 CD1 ILE A 57 8.361 -1.195 -11.844 1.00 0.00 C ATOM 0 H ILE A 57 8.591 -3.672 -7.751 1.00 0.00 H new ATOM 0 HA ILE A 57 9.297 -1.957 -9.903 1.00 0.00 H new ATOM 0 HB ILE A 57 7.970 -4.344 -10.622 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.929 -3.199 -12.379 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.242 -2.831 -12.678 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.680 -3.788 -11.179 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.968 -3.711 -9.425 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.857 -2.210 -10.375 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.623 -0.791 -12.822 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.482 -0.677 -11.461 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.195 -1.051 -11.157 1.00 0.00 H new ATOM 870 N THR A 58 6.933 -0.595 -9.481 1.00 0.00 N ATOM 871 CA THR A 58 6.019 0.330 -8.875 1.00 0.00 C ATOM 872 C THR A 58 4.615 -0.254 -8.839 1.00 0.00 C ATOM 873 O THR A 58 3.999 -0.537 -9.890 1.00 0.00 O ATOM 874 CB THR A 58 5.985 1.612 -9.693 1.00 0.00 C ATOM 875 OG1 THR A 58 6.174 2.756 -8.844 1.00 0.00 O ATOM 876 CG2 THR A 58 4.678 1.928 -10.401 1.00 0.00 C ATOM 0 H THR A 58 7.192 -0.339 -10.434 1.00 0.00 H new ATOM 0 HA THR A 58 6.354 0.532 -7.858 1.00 0.00 H new ATOM 0 HB THR A 58 6.769 1.433 -10.429 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.919 2.588 -8.230 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.779 2.864 -10.950 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.437 1.124 -11.097 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.879 2.022 -9.665 1.00 0.00 H new ATOM 884 N TRP A 59 4.088 -0.455 -7.632 1.00 0.00 N ATOM 885 CA TRP A 59 2.757 -1.010 -7.427 1.00 0.00 C ATOM 886 C TRP A 59 1.683 -0.041 -7.907 1.00 0.00 C ATOM 887 O TRP A 59 1.477 1.004 -7.314 1.00 0.00 O ATOM 888 CB TRP A 59 2.557 -1.338 -5.948 1.00 0.00 C ATOM 889 CG TRP A 59 3.851 -1.512 -5.213 1.00 0.00 C ATOM 890 CD1 TRP A 59 4.653 -0.549 -4.745 1.00 0.00 C ATOM 891 CD2 TRP A 59 4.523 -2.756 -4.886 1.00 0.00 C ATOM 892 NE1 TRP A 59 5.759 -1.096 -4.141 1.00 0.00 N ATOM 893 CE2 TRP A 59 5.689 -2.423 -4.235 1.00 0.00 C ATOM 894 CE3 TRP A 59 4.205 -4.101 -5.102 1.00 0.00 C ATOM 895 CZ2 TRP A 59 6.555 -3.442 -3.758 1.00 0.00 C ATOM 896 CZ3 TRP A 59 5.074 -5.071 -4.640 1.00 0.00 C ATOM 897 CH2 TRP A 59 6.224 -4.722 -3.971 1.00 0.00 C ATOM 0 H TRP A 59 4.578 -0.235 -6.765 1.00 0.00 H new ATOM 0 HA TRP A 59 2.668 -1.926 -8.012 1.00 0.00 H new ATOM 0 HB2 TRP A 59 1.982 -0.540 -5.478 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.968 -2.251 -5.859 1.00 0.00 H new ATOM 0 HD1 TRP A 59 4.458 0.510 -4.830 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.511 -0.572 -3.694 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.298 -4.376 -5.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 7.464 -3.189 -3.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.848 -6.114 -4.806 1.00 0.00 H new ATOM 0 HH2 TRP A 59 6.878 -5.501 -3.608 1.00 0.00 H new ATOM 908 N LYS A 60 1.062 -0.424 -9.025 1.00 0.00 N ATOM 909 CA LYS A 60 -0.043 0.456 -9.615 1.00 0.00 C ATOM 910 C LYS A 60 -1.393 -0.167 -9.276 1.00 0.00 C ATOM 911 O LYS A 60 -1.495 -1.243 -8.729 1.00 0.00 O ATOM 912 CB LYS A 60 0.169 0.562 -11.130 1.00 0.00 C ATOM 913 CG LYS A 60 -1.060 0.134 -11.904 1.00 0.00 C ATOM 914 CD LYS A 60 -1.895 1.349 -12.332 1.00 0.00 C ATOM 915 CE LYS A 60 -2.353 1.248 -13.778 1.00 0.00 C ATOM 916 NZ LYS A 60 -1.882 2.403 -14.591 1.00 0.00 N ATOM 0 H LYS A 60 1.262 -1.280 -9.542 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.015 1.462 -9.197 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.422 1.590 -11.390 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.016 -0.058 -11.422 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.759 -0.433 -12.785 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.668 -0.530 -11.289 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.765 1.437 -11.682 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.306 2.257 -12.201 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.979 0.321 -14.213 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.441 1.200 -13.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.215 2.297 -15.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.259 3.286 -14.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.843 2.434 -14.580 1.00 0.00 H new ATOM 930 N GLU A 61 -2.463 0.630 -9.606 1.00 0.00 N ATOM 931 CA GLU A 61 -3.806 0.140 -9.327 1.00 0.00 C ATOM 932 C GLU A 61 -4.117 -1.119 -10.078 1.00 0.00 C ATOM 933 O GLU A 61 -4.495 -2.113 -9.509 1.00 0.00 O ATOM 934 CB GLU A 61 -4.798 1.260 -9.699 1.00 0.00 C ATOM 935 CG GLU A 61 -5.832 1.547 -8.622 1.00 0.00 C ATOM 936 CD GLU A 61 -7.244 1.277 -9.108 1.00 0.00 C ATOM 937 OE1 GLU A 61 -8.149 2.066 -8.777 1.00 0.00 O ATOM 938 OE2 GLU A 61 -7.480 0.254 -9.843 1.00 0.00 O ATOM 0 H GLU A 61 -2.405 1.553 -10.037 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.886 -0.112 -8.270 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.240 2.173 -9.906 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.313 0.986 -10.620 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.625 0.931 -7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.749 2.587 -8.307 1.00 0.00 H new ATOM 945 N GLU A 62 -3.968 -1.114 -11.452 1.00 0.00 N ATOM 946 CA GLU A 62 -4.237 -2.231 -12.246 1.00 0.00 C ATOM 947 C GLU A 62 -3.303 -3.395 -11.922 1.00 0.00 C ATOM 948 O GLU A 62 -3.765 -4.540 -11.843 1.00 0.00 O ATOM 949 CB GLU A 62 -4.098 -1.849 -13.721 1.00 0.00 C ATOM 950 CG GLU A 62 -2.717 -2.007 -14.262 1.00 0.00 C ATOM 951 CD GLU A 62 -2.577 -1.513 -15.688 1.00 0.00 C ATOM 952 OE1 GLU A 62 -3.609 -1.377 -16.405 1.00 0.00 O ATOM 953 OE2 GLU A 62 -1.440 -1.274 -16.130 1.00 0.00 O ATOM 0 H GLU A 62 -3.653 -0.299 -11.979 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.256 -2.558 -12.037 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.780 -2.462 -14.310 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.410 -0.812 -13.848 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.019 -1.463 -13.625 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.434 -3.059 -14.219 1.00 0.00 H new ATOM 960 N THR A 63 -2.057 -3.111 -11.755 1.00 0.00 N ATOM 961 CA THR A 63 -1.032 -4.127 -11.471 1.00 0.00 C ATOM 962 C THR A 63 -1.328 -4.752 -10.114 1.00 0.00 C ATOM 963 O THR A 63 -1.041 -5.951 -9.875 1.00 0.00 O ATOM 964 CB THR A 63 0.372 -3.520 -11.453 1.00 0.00 C ATOM 965 OG1 THR A 63 1.211 -4.189 -12.357 1.00 0.00 O ATOM 966 CG2 THR A 63 1.035 -3.607 -10.069 1.00 0.00 C ATOM 0 H THR A 63 -1.689 -2.161 -11.807 1.00 0.00 H new ATOM 0 HA THR A 63 -1.062 -4.879 -12.259 1.00 0.00 H new ATOM 0 HB THR A 63 0.247 -2.473 -11.728 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.104 -3.787 -12.334 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.029 -3.162 -10.113 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.428 -3.069 -9.341 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.118 -4.652 -9.771 1.00 0.00 H new ATOM 974 N LEU A 64 -1.957 -3.990 -9.229 1.00 0.00 N ATOM 975 CA LEU A 64 -2.319 -4.495 -7.880 1.00 0.00 C ATOM 976 C LEU A 64 -3.467 -5.490 -7.976 1.00 0.00 C ATOM 977 O LEU A 64 -3.531 -6.472 -7.259 1.00 0.00 O ATOM 978 CB LEU A 64 -2.714 -3.354 -6.983 1.00 0.00 C ATOM 979 CG LEU A 64 -1.663 -2.961 -5.944 1.00 0.00 C ATOM 980 CD1 LEU A 64 -2.201 -1.810 -5.082 1.00 0.00 C ATOM 981 CD2 LEU A 64 -1.295 -4.158 -5.079 1.00 0.00 C ATOM 0 H LEU A 64 -2.232 -3.024 -9.404 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.448 -4.996 -7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.936 -2.484 -7.601 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.635 -3.620 -6.465 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.760 -2.628 -6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.452 -1.529 -4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.422 -0.952 -5.717 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.111 -2.130 -4.575 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.546 -3.860 -4.345 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.184 -4.521 -4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.891 -4.951 -5.708 1.00 0.00 H new ATOM 993 N MET A 65 -4.372 -5.245 -8.918 1.00 0.00 N ATOM 994 CA MET A 65 -5.519 -6.123 -9.118 1.00 0.00 C ATOM 995 C MET A 65 -5.056 -7.546 -9.505 1.00 0.00 C ATOM 996 O MET A 65 -5.585 -8.517 -8.947 1.00 0.00 O ATOM 997 CB MET A 65 -6.424 -5.608 -10.245 1.00 0.00 C ATOM 998 CG MET A 65 -7.232 -4.337 -9.830 1.00 0.00 C ATOM 999 SD MET A 65 -8.099 -4.542 -8.263 1.00 0.00 S ATOM 1000 CE MET A 65 -6.835 -4.024 -7.106 1.00 0.00 C ATOM 0 H MET A 65 -4.334 -4.448 -9.553 1.00 0.00 H new ATOM 0 HA MET A 65 -6.070 -6.142 -8.177 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.815 -5.378 -11.119 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.118 -6.396 -10.538 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.552 -3.488 -9.756 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.954 -4.100 -10.611 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.262 -3.959 -6.105 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.022 -4.750 -7.107 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.450 -3.048 -7.401 1.00 0.00 H new ATOM 1010 N GLU A 66 -4.085 -7.614 -10.335 1.00 0.00 N ATOM 1011 CA GLU A 66 -3.509 -8.922 -10.784 1.00 0.00 C ATOM 1012 C GLU A 66 -2.614 -9.452 -9.663 1.00 0.00 C ATOM 1013 O GLU A 66 -2.551 -10.691 -9.427 1.00 0.00 O ATOM 1014 CB GLU A 66 -2.811 -8.785 -12.079 1.00 0.00 C ATOM 1015 CG GLU A 66 -1.923 -7.510 -12.145 1.00 0.00 C ATOM 1016 CD GLU A 66 -1.063 -7.441 -13.441 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -0.315 -8.429 -13.720 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -1.168 -6.433 -14.170 1.00 0.00 O ATOM 0 H GLU A 66 -3.636 -6.797 -10.748 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.300 -9.649 -10.968 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.191 -9.665 -12.249 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.546 -8.754 -12.883 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.559 -6.626 -12.089 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.265 -7.485 -11.276 1.00 0.00 H new ATOM 1025 N TYR A 67 -1.841 -8.561 -9.022 1.00 0.00 N ATOM 1026 CA TYR A 67 -0.922 -8.970 -7.974 1.00 0.00 C ATOM 1027 C TYR A 67 -1.698 -9.600 -6.809 1.00 0.00 C ATOM 1028 O TYR A 67 -1.080 -10.312 -6.067 1.00 0.00 O ATOM 1029 CB TYR A 67 -0.135 -7.705 -7.502 1.00 0.00 C ATOM 1030 CG TYR A 67 0.215 -7.799 -6.022 1.00 0.00 C ATOM 1031 CD1 TYR A 67 1.483 -8.261 -5.591 1.00 0.00 C ATOM 1032 CD2 TYR A 67 -0.677 -7.338 -5.039 1.00 0.00 C ATOM 1033 CE1 TYR A 67 1.784 -8.317 -4.290 1.00 0.00 C ATOM 1034 CE2 TYR A 67 -0.328 -7.416 -3.709 1.00 0.00 C ATOM 1035 CZ TYR A 67 0.882 -7.855 -3.334 1.00 0.00 C ATOM 1036 OH TYR A 67 1.206 -7.913 -1.972 1.00 0.00 O ATOM 0 H TYR A 67 -1.841 -7.560 -9.217 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.224 -9.719 -8.348 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.777 -7.600 -8.089 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.734 -6.812 -7.682 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.215 -8.572 -6.322 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.633 -6.924 -5.325 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.734 -8.724 -3.977 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.042 -7.118 -2.955 1.00 0.00 H new ATOM 0 HH TYR A 67 0.465 -7.549 -1.444 1.00 0.00 H new ATOM 1046 N LEU A 68 -2.946 -9.250 -6.708 1.00 0.00 N ATOM 1047 CA LEU A 68 -3.805 -9.783 -5.638 1.00 0.00 C ATOM 1048 C LEU A 68 -3.894 -11.316 -5.702 1.00 0.00 C ATOM 1049 O LEU A 68 -4.281 -11.984 -4.745 1.00 0.00 O ATOM 1050 CB LEU A 68 -5.215 -9.216 -5.682 1.00 0.00 C ATOM 1051 CG LEU A 68 -5.328 -7.767 -5.111 1.00 0.00 C ATOM 1052 CD1 LEU A 68 -6.672 -7.200 -5.387 1.00 0.00 C ATOM 1053 CD2 LEU A 68 -5.054 -7.834 -3.599 1.00 0.00 C ATOM 0 H LEU A 68 -3.411 -8.600 -7.342 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.334 -9.476 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.566 -9.219 -6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.878 -9.872 -5.118 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.601 -7.112 -5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.731 -6.190 -4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.840 -7.169 -6.464 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.433 -7.824 -4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.126 -6.834 -3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.788 -8.485 -3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.053 -8.230 -3.428 1.00 0.00 H new ATOM 1065 N GLU A 69 -3.499 -11.861 -6.860 1.00 0.00 N ATOM 1066 CA GLU A 69 -3.533 -13.302 -7.077 1.00 0.00 C ATOM 1067 C GLU A 69 -2.606 -14.021 -6.102 1.00 0.00 C ATOM 1068 O GLU A 69 -3.052 -14.571 -5.096 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.136 -13.644 -8.557 1.00 0.00 C ATOM 1070 CG GLU A 69 -4.042 -14.667 -9.221 1.00 0.00 C ATOM 1071 CD GLU A 69 -3.651 -14.946 -10.660 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -2.617 -14.414 -11.082 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -4.406 -15.680 -11.323 1.00 0.00 O ATOM 0 H GLU A 69 -3.154 -11.323 -7.655 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.551 -13.647 -6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.148 -12.727 -9.146 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.112 -14.018 -8.570 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.011 -15.597 -8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.071 -14.309 -9.191 1.00 0.00 H new ATOM 1080 N ASN A 70 -1.317 -14.037 -6.422 1.00 0.00 N ATOM 1081 CA ASN A 70 -0.321 -14.660 -5.560 1.00 0.00 C ATOM 1082 C ASN A 70 0.668 -13.670 -5.023 1.00 0.00 C ATOM 1083 O ASN A 70 1.687 -13.346 -5.641 1.00 0.00 O ATOM 1084 CB ASN A 70 0.421 -15.744 -6.345 1.00 0.00 C ATOM 1085 CG ASN A 70 -0.342 -17.084 -6.387 1.00 0.00 C ATOM 1086 OD1 ASN A 70 -0.304 -17.846 -5.415 1.00 0.00 O ATOM 1087 ND2 ASN A 70 -0.999 -17.347 -7.533 1.00 0.00 N ATOM 0 H ASN A 70 -0.937 -13.625 -7.274 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.847 -15.093 -4.709 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.590 -15.396 -7.364 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.401 -15.904 -5.896 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.509 -18.224 -7.639 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.986 -16.669 -8.295 1.00 0.00 H new ATOM 1094 N PRO A 71 0.388 -13.111 -3.791 1.00 0.00 N ATOM 1095 CA PRO A 71 1.256 -12.121 -3.146 1.00 0.00 C ATOM 1096 C PRO A 71 2.736 -12.604 -3.116 1.00 0.00 C ATOM 1097 O PRO A 71 3.636 -11.760 -3.163 1.00 0.00 O ATOM 1098 CB PRO A 71 0.694 -12.013 -1.779 1.00 0.00 C ATOM 1099 CG PRO A 71 -0.763 -12.362 -1.924 1.00 0.00 C ATOM 1100 CD PRO A 71 -0.778 -13.450 -2.992 1.00 0.00 C ATOM 0 HA PRO A 71 1.278 -11.166 -3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.196 -12.694 -1.092 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.820 -11.007 -1.379 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.183 -12.720 -0.984 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.352 -11.497 -2.228 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.699 -14.447 -2.559 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.695 -13.430 -3.581 1.00 0.00 H new ATOM 1108 N LYS A 72 2.928 -13.911 -2.988 1.00 0.00 N ATOM 1109 CA LYS A 72 4.234 -14.491 -2.886 1.00 0.00 C ATOM 1110 C LYS A 72 4.867 -14.561 -4.284 1.00 0.00 C ATOM 1111 O LYS A 72 6.084 -14.624 -4.438 1.00 0.00 O ATOM 1112 CB LYS A 72 4.188 -15.857 -2.250 1.00 0.00 C ATOM 1113 CG LYS A 72 4.647 -16.972 -3.122 1.00 0.00 C ATOM 1114 CD LYS A 72 6.152 -17.166 -3.051 1.00 0.00 C ATOM 1115 CE LYS A 72 6.844 -16.894 -4.422 1.00 0.00 C ATOM 1116 NZ LYS A 72 7.639 -18.043 -4.876 1.00 0.00 N ATOM 0 H LYS A 72 2.168 -14.591 -2.953 1.00 0.00 H new ATOM 0 HA LYS A 72 4.845 -13.860 -2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.802 -15.843 -1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.165 -16.060 -1.934 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.148 -17.894 -2.824 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.355 -16.770 -4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.568 -16.498 -2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.371 -18.185 -2.731 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.087 -16.659 -5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.488 -16.019 -4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.081 -17.820 -5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.379 -18.252 -4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.021 -18.872 -4.984 1.00 0.00 H new ATOM 1130 N LYS A 73 4.015 -14.640 -5.321 1.00 0.00 N ATOM 1131 CA LYS A 73 4.489 -14.718 -6.683 1.00 0.00 C ATOM 1132 C LYS A 73 5.150 -13.447 -7.145 1.00 0.00 C ATOM 1133 O LYS A 73 6.070 -13.421 -7.986 1.00 0.00 O ATOM 1134 CB LYS A 73 3.327 -15.042 -7.644 1.00 0.00 C ATOM 1135 CG LYS A 73 2.570 -13.820 -8.138 1.00 0.00 C ATOM 1136 CD LYS A 73 3.071 -13.378 -9.471 1.00 0.00 C ATOM 1137 CE LYS A 73 3.324 -14.544 -10.424 1.00 0.00 C ATOM 1138 NZ LYS A 73 2.185 -15.504 -10.419 1.00 0.00 N ATOM 0 H LYS A 73 3.000 -14.650 -5.226 1.00 0.00 H new ATOM 0 HA LYS A 73 5.233 -15.515 -6.698 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.721 -15.584 -8.504 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.628 -15.709 -7.140 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.507 -14.050 -8.204 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.676 -13.008 -7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.346 -12.699 -9.920 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.995 -12.816 -9.339 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.478 -14.164 -11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.239 -15.061 -10.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.025 -15.858 -11.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.406 -16.302 -9.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.327 -15.023 -10.080 1.00 0.00 H new ATOM 1152 N TYR A 74 4.694 -12.316 -6.619 1.00 0.00 N ATOM 1153 CA TYR A 74 5.249 -10.998 -6.923 1.00 0.00 C ATOM 1154 C TYR A 74 6.535 -10.715 -6.166 1.00 0.00 C ATOM 1155 O TYR A 74 7.520 -10.252 -6.696 1.00 0.00 O ATOM 1156 CB TYR A 74 4.224 -9.896 -6.648 1.00 0.00 C ATOM 1157 CG TYR A 74 3.435 -9.532 -7.900 1.00 0.00 C ATOM 1158 CD1 TYR A 74 2.414 -10.353 -8.348 1.00 0.00 C ATOM 1159 CD2 TYR A 74 3.626 -8.337 -8.533 1.00 0.00 C ATOM 1160 CE1 TYR A 74 1.661 -10.032 -9.469 1.00 0.00 C ATOM 1161 CE2 TYR A 74 2.887 -7.956 -9.628 1.00 0.00 C ATOM 1162 CZ TYR A 74 1.938 -8.799 -10.117 1.00 0.00 C ATOM 1163 OH TYR A 74 1.192 -8.462 -11.195 1.00 0.00 O ATOM 0 H TYR A 74 3.917 -12.286 -5.959 1.00 0.00 H new ATOM 0 HA TYR A 74 5.492 -11.004 -7.985 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.537 -10.225 -5.868 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.735 -9.010 -6.270 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.198 -11.265 -7.812 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.386 -7.666 -8.160 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.892 -10.696 -9.835 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.058 -6.997 -10.095 1.00 0.00 H new ATOM 0 HH TYR A 74 1.488 -7.593 -11.539 1.00 0.00 H new ATOM 1173 N ILE A 75 6.505 -11.051 -4.888 1.00 0.00 N ATOM 1174 CA ILE A 75 7.699 -10.836 -3.990 1.00 0.00 C ATOM 1175 C ILE A 75 7.972 -12.066 -3.132 1.00 0.00 C ATOM 1176 O ILE A 75 7.629 -12.102 -1.952 1.00 0.00 O ATOM 1177 CB ILE A 75 7.478 -9.622 -3.112 1.00 0.00 C ATOM 1178 CG1 ILE A 75 7.542 -8.341 -3.898 1.00 0.00 C ATOM 1179 CG2 ILE A 75 8.563 -9.612 -1.973 1.00 0.00 C ATOM 1180 CD1 ILE A 75 8.595 -8.363 -4.983 1.00 0.00 C ATOM 0 H ILE A 75 5.697 -11.468 -4.426 1.00 0.00 H new ATOM 0 HA ILE A 75 8.572 -10.666 -4.621 1.00 0.00 H new ATOM 0 HB ILE A 75 6.479 -9.686 -2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.568 -8.149 -4.349 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.747 -7.514 -3.218 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.413 -8.741 -1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.472 -10.519 -1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.557 -9.568 -2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.591 -7.411 -5.513 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.576 -8.525 -4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.379 -9.169 -5.684 1.00 0.00 H new ATOM 1192 N PRO A 76 8.561 -13.115 -3.739 1.00 0.00 N ATOM 1193 CA PRO A 76 8.891 -14.334 -3.021 1.00 0.00 C ATOM 1194 C PRO A 76 9.768 -14.136 -1.790 1.00 0.00 C ATOM 1195 O PRO A 76 10.754 -13.384 -1.888 1.00 0.00 O ATOM 1196 CB PRO A 76 9.669 -15.168 -4.071 1.00 0.00 C ATOM 1197 CG PRO A 76 9.263 -14.586 -5.382 1.00 0.00 C ATOM 1198 CD PRO A 76 9.005 -13.106 -5.156 1.00 0.00 C ATOM 0 HA PRO A 76 7.983 -14.795 -2.632 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.746 -15.093 -3.919 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.411 -16.225 -4.009 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.046 -14.731 -6.126 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.368 -15.079 -5.761 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.901 -12.503 -5.305 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.241 -12.713 -5.826 1.00 0.00 H new ATOM 1206 N GLY A 77 9.419 -14.755 -0.636 1.00 0.00 N ATOM 1207 CA GLY A 77 10.202 -14.574 0.526 1.00 0.00 C ATOM 1208 C GLY A 77 9.535 -13.720 1.582 1.00 0.00 C ATOM 1209 O GLY A 77 9.851 -13.768 2.747 1.00 0.00 O ATOM 0 H GLY A 77 8.609 -15.365 -0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.433 -15.550 0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.151 -14.116 0.246 1.00 0.00 H new ATOM 1213 N THR A 78 8.527 -12.926 1.110 1.00 0.00 N ATOM 1214 CA THR A 78 7.819 -12.049 2.008 1.00 0.00 C ATOM 1215 C THR A 78 6.439 -12.694 2.410 1.00 0.00 C ATOM 1216 O THR A 78 5.660 -13.069 1.566 1.00 0.00 O ATOM 1217 CB THR A 78 7.564 -10.694 1.373 1.00 0.00 C ATOM 1218 OG1 THR A 78 7.885 -9.633 2.245 1.00 0.00 O ATOM 1219 CG2 THR A 78 6.140 -10.494 0.865 1.00 0.00 C ATOM 0 H THR A 78 8.216 -12.896 0.139 1.00 0.00 H new ATOM 0 HA THR A 78 8.441 -11.908 2.892 1.00 0.00 H new ATOM 0 HB THR A 78 8.226 -10.683 0.507 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.067 -9.299 2.669 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.046 -9.500 0.427 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.914 -11.246 0.109 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.440 -10.592 1.695 1.00 0.00 H new ATOM 1227 N LYS A 79 6.185 -12.760 3.714 1.00 0.00 N ATOM 1228 CA LYS A 79 4.946 -13.281 4.210 1.00 0.00 C ATOM 1229 C LYS A 79 4.067 -12.188 4.749 1.00 0.00 C ATOM 1230 O LYS A 79 4.529 -11.247 5.395 1.00 0.00 O ATOM 1231 CB LYS A 79 5.236 -14.305 5.308 1.00 0.00 C ATOM 1232 CG LYS A 79 4.134 -15.370 5.462 1.00 0.00 C ATOM 1233 CD LYS A 79 3.547 -15.738 4.166 1.00 0.00 C ATOM 1234 CE LYS A 79 4.606 -16.160 3.161 1.00 0.00 C ATOM 1235 NZ LYS A 79 5.481 -17.261 3.686 1.00 0.00 N ATOM 0 H LYS A 79 6.835 -12.453 4.438 1.00 0.00 H new ATOM 0 HA LYS A 79 4.416 -13.757 3.385 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.182 -14.801 5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.361 -13.783 6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.550 -16.258 5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.352 -14.992 6.121 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.837 -16.553 4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.987 -14.892 3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.121 -16.491 2.242 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.223 -15.299 2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.073 -17.631 2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.090 -16.889 4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.887 -18.026 4.064 1.00 0.00 H new ATOM 1249 N MET A 80 2.779 -12.293 4.571 1.00 0.00 N ATOM 1250 CA MET A 80 1.866 -11.291 5.110 1.00 0.00 C ATOM 1251 C MET A 80 1.179 -11.846 6.340 1.00 0.00 C ATOM 1252 O MET A 80 0.361 -12.732 6.272 1.00 0.00 O ATOM 1253 CB MET A 80 0.868 -10.892 4.052 1.00 0.00 C ATOM 1254 CG MET A 80 0.142 -9.570 4.353 1.00 0.00 C ATOM 1255 SD MET A 80 1.072 -8.151 3.713 1.00 0.00 S ATOM 1256 CE MET A 80 1.447 -8.742 2.051 1.00 0.00 C ATOM 0 H MET A 80 2.328 -13.053 4.062 1.00 0.00 H new ATOM 0 HA MET A 80 2.420 -10.399 5.403 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.382 -10.804 3.095 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.129 -11.686 3.945 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.852 -9.588 3.906 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.006 -9.464 5.429 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.481 -7.897 1.363 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.413 -9.247 2.054 1.00 0.00 H new ATOM 0 HE3 MET A 80 0.674 -9.440 1.730 1.00 0.00 H new ATOM 1266 N ILE A 81 1.472 -11.256 7.490 1.00 0.00 N ATOM 1267 CA ILE A 81 0.873 -11.553 8.803 1.00 0.00 C ATOM 1268 C ILE A 81 -0.155 -10.579 9.254 1.00 0.00 C ATOM 1269 O ILE A 81 0.222 -9.405 9.327 1.00 0.00 O ATOM 1270 CB ILE A 81 1.837 -11.647 9.895 1.00 0.00 C ATOM 1271 CG1 ILE A 81 2.823 -12.708 9.556 1.00 0.00 C ATOM 1272 CG2 ILE A 81 1.255 -11.872 11.284 1.00 0.00 C ATOM 1273 CD1 ILE A 81 3.966 -12.220 8.702 1.00 0.00 C ATOM 0 H ILE A 81 2.171 -10.515 7.545 1.00 0.00 H new ATOM 0 HA ILE A 81 0.414 -12.522 8.607 1.00 0.00 H new ATOM 0 HB ILE A 81 2.305 -10.666 9.974 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.223 -13.128 10.479 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.310 -13.516 9.034 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.064 -11.925 12.013 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.591 -11.046 11.538 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.693 -12.806 11.296 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.645 -13.048 8.495 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.576 -11.826 7.763 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.504 -11.433 9.230 1.00 0.00 H new ATOM 1285 N PHE A 82 -1.482 -10.954 9.696 1.00 0.00 N ATOM 1286 CA PHE A 82 -2.555 -10.090 10.198 1.00 0.00 C ATOM 1287 C PHE A 82 -3.426 -9.670 9.010 1.00 0.00 C ATOM 1288 O PHE A 82 -3.071 -9.797 7.863 1.00 0.00 O ATOM 1289 CB PHE A 82 -1.960 -8.856 10.877 1.00 0.00 C ATOM 1290 CG PHE A 82 -2.934 -8.241 11.849 1.00 0.00 C ATOM 1291 CD1 PHE A 82 -2.984 -8.679 13.161 1.00 0.00 C ATOM 1292 CD2 PHE A 82 -3.739 -7.211 11.461 1.00 0.00 C ATOM 1293 CE1 PHE A 82 -3.844 -8.083 14.109 1.00 0.00 C ATOM 1294 CE2 PHE A 82 -4.600 -6.598 12.378 1.00 0.00 C ATOM 1295 CZ PHE A 82 -4.641 -7.057 13.711 1.00 0.00 C ATOM 0 H PHE A 82 -1.773 -11.931 9.682 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.157 -10.626 10.932 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.046 -9.133 11.402 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.684 -8.120 10.121 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.349 -9.497 13.467 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.712 -6.866 10.438 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.868 -8.435 15.130 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.230 -5.778 12.067 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.310 -6.590 14.419 1.00 0.00 H new ATOM 1305 N ALA A 83 -4.587 -9.098 9.295 1.00 0.00 N ATOM 1306 CA ALA A 83 -5.508 -8.612 8.310 1.00 0.00 C ATOM 1307 C ALA A 83 -6.980 -8.857 8.682 1.00 0.00 C ATOM 1308 O ALA A 83 -7.516 -9.937 8.350 1.00 0.00 O ATOM 1309 CB ALA A 83 -5.233 -9.296 6.962 1.00 0.00 C ATOM 0 H ALA A 83 -4.913 -8.961 10.252 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.353 -7.535 8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.935 -8.924 6.215 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.214 -9.076 6.643 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.355 -10.374 7.069 1.00 0.00 H new ATOM 1315 N GLY A 84 -7.559 -7.948 9.400 1.00 0.00 N ATOM 1316 CA GLY A 84 -8.929 -8.072 9.846 1.00 0.00 C ATOM 1317 C GLY A 84 -9.926 -7.790 8.731 1.00 0.00 C ATOM 1318 O GLY A 84 -11.138 -7.563 8.972 1.00 0.00 O ATOM 0 H GLY A 84 -7.099 -7.089 9.701 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.094 -9.078 10.232 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.104 -7.381 10.671 1.00 0.00 H new ATOM 1322 N ILE A 85 -9.432 -7.719 7.471 1.00 0.00 N ATOM 1323 CA ILE A 85 -10.276 -7.407 6.335 1.00 0.00 C ATOM 1324 C ILE A 85 -10.022 -8.399 5.205 1.00 0.00 C ATOM 1325 O ILE A 85 -8.930 -8.862 5.018 1.00 0.00 O ATOM 1326 CB ILE A 85 -10.052 -5.990 5.832 1.00 0.00 C ATOM 1327 CG1 ILE A 85 -10.383 -4.949 6.890 1.00 0.00 C ATOM 1328 CG2 ILE A 85 -10.888 -5.734 4.561 1.00 0.00 C ATOM 1329 CD1 ILE A 85 -11.662 -4.150 6.621 1.00 0.00 C ATOM 0 H ILE A 85 -8.452 -7.876 7.235 1.00 0.00 H new ATOM 0 HA ILE A 85 -11.311 -7.484 6.668 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.992 -5.895 5.595 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.478 -5.448 7.854 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.547 -4.254 6.972 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.717 -4.715 4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.592 -6.438 3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -11.946 -5.867 4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.819 -3.432 7.426 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.567 -3.618 5.674 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -12.512 -4.830 6.571 1.00 0.00 H new ATOM 1341 N LYS A 86 -11.080 -8.750 4.466 1.00 0.00 N ATOM 1342 CA LYS A 86 -10.962 -9.645 3.338 1.00 0.00 C ATOM 1343 C LYS A 86 -11.994 -9.297 2.244 1.00 0.00 C ATOM 1344 O LYS A 86 -11.657 -9.397 1.083 1.00 0.00 O ATOM 1345 CB LYS A 86 -11.185 -11.077 3.824 1.00 0.00 C ATOM 1346 CG LYS A 86 -12.172 -11.176 4.999 1.00 0.00 C ATOM 1347 CD LYS A 86 -11.497 -11.782 6.216 1.00 0.00 C ATOM 1348 CE LYS A 86 -12.151 -11.368 7.532 1.00 0.00 C ATOM 1349 NZ LYS A 86 -11.215 -11.397 8.649 1.00 0.00 N ATOM 0 H LYS A 86 -12.029 -8.419 4.641 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.967 -9.543 2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.556 -11.680 2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.228 -11.504 4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.554 -10.185 5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.029 -11.785 4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.519 -12.869 6.133 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.449 -11.484 6.229 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.561 -10.363 7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.987 -12.034 7.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.705 -11.108 9.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.842 -12.361 8.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.429 -10.742 8.461 1.00 0.00 H new ATOM 1363 N LYS A 87 -13.205 -8.964 2.695 1.00 0.00 N ATOM 1364 CA LYS A 87 -14.223 -8.598 1.728 1.00 0.00 C ATOM 1365 C LYS A 87 -13.633 -7.848 0.497 1.00 0.00 C ATOM 1366 O LYS A 87 -13.073 -6.787 0.599 1.00 0.00 O ATOM 1367 CB LYS A 87 -15.281 -7.695 2.413 1.00 0.00 C ATOM 1368 CG LYS A 87 -16.668 -8.171 2.279 1.00 0.00 C ATOM 1369 CD LYS A 87 -17.233 -8.572 3.632 1.00 0.00 C ATOM 1370 CE LYS A 87 -18.505 -9.388 3.485 1.00 0.00 C ATOM 1371 NZ LYS A 87 -18.330 -10.523 2.539 1.00 0.00 N ATOM 0 H LYS A 87 -13.490 -8.942 3.674 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.676 -9.521 1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.039 -7.613 3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.212 -6.692 1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.285 -7.388 1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.701 -9.022 1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.490 -9.151 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.439 -7.678 4.221 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.805 -9.771 4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.311 -8.744 3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.057 -11.243 2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.423 -10.178 1.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.387 -10.942 2.670 1.00 0.00 H new ATOM 1385 N LYS A 88 -13.805 -8.462 -0.670 1.00 0.00 N ATOM 1386 CA LYS A 88 -13.265 -7.892 -1.908 1.00 0.00 C ATOM 1387 C LYS A 88 -13.718 -6.455 -2.030 1.00 0.00 C ATOM 1388 O LYS A 88 -12.965 -5.619 -2.545 1.00 0.00 O ATOM 1389 CB LYS A 88 -13.770 -8.705 -3.110 1.00 0.00 C ATOM 1390 CG LYS A 88 -13.284 -8.149 -4.447 1.00 0.00 C ATOM 1391 CD LYS A 88 -13.532 -9.133 -5.577 1.00 0.00 C ATOM 1392 CE LYS A 88 -13.672 -10.566 -5.036 1.00 0.00 C ATOM 1393 NZ LYS A 88 -14.855 -10.756 -4.226 1.00 0.00 N ATOM 0 H LYS A 88 -14.306 -9.342 -0.788 1.00 0.00 H new ATOM 0 HA LYS A 88 -12.176 -7.928 -1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -13.438 -9.738 -3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -14.860 -8.718 -3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -13.796 -7.210 -4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -12.219 -7.925 -4.384 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -14.437 -8.853 -6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -12.709 -9.088 -6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.697 -11.263 -5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.791 -10.812 -4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -14.575 -10.986 -3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.420 -9.883 -4.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.422 -11.536 -4.617 1.00 0.00 H new ATOM 1407 N THR A 89 -14.948 -6.167 -1.649 1.00 0.00 N ATOM 1408 CA THR A 89 -15.504 -4.834 -1.711 1.00 0.00 C ATOM 1409 C THR A 89 -14.847 -3.913 -0.743 1.00 0.00 C ATOM 1410 O THR A 89 -14.693 -2.709 -1.024 1.00 0.00 O ATOM 1411 CB THR A 89 -17.009 -4.875 -1.472 1.00 0.00 C ATOM 1412 OG1 THR A 89 -17.259 -4.726 -0.071 1.00 0.00 O ATOM 1413 CG2 THR A 89 -17.678 -6.116 -1.939 1.00 0.00 C ATOM 0 H THR A 89 -15.596 -6.864 -1.283 1.00 0.00 H new ATOM 0 HA THR A 89 -15.314 -4.445 -2.711 1.00 0.00 H new ATOM 0 HB THR A 89 -17.428 -4.059 -2.060 1.00 0.00 H new ATOM 0 HG1 THR A 89 -18.225 -4.749 0.093 1.00 0.00 H new ATOM 0 HG21 THR A 89 -18.746 -6.056 -1.727 1.00 0.00 H new ATOM 0 HG22 THR A 89 -17.527 -6.229 -3.012 1.00 0.00 H new ATOM 0 HG23 THR A 89 -17.253 -6.976 -1.420 1.00 0.00 H new ATOM 1421 N GLU A 90 -14.362 -4.472 0.375 1.00 0.00 N ATOM 1422 CA GLU A 90 -13.669 -3.643 1.380 1.00 0.00 C ATOM 1423 C GLU A 90 -12.261 -3.294 0.919 1.00 0.00 C ATOM 1424 O GLU A 90 -11.864 -2.165 0.997 1.00 0.00 O ATOM 1425 CB GLU A 90 -13.644 -4.419 2.728 1.00 0.00 C ATOM 1426 CG GLU A 90 -14.977 -4.901 3.183 1.00 0.00 C ATOM 1427 CD GLU A 90 -15.593 -3.934 4.233 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -16.089 -2.875 3.843 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -15.508 -4.298 5.423 1.00 0.00 O ATOM 0 H GLU A 90 -14.431 -5.463 0.605 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.203 -2.702 1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.976 -5.275 2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.222 -3.773 3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.647 -4.989 2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.879 -5.897 3.615 1.00 0.00 H new ATOM 1436 N ARG A 91 -11.585 -4.292 0.412 1.00 0.00 N ATOM 1437 CA ARG A 91 -10.204 -4.140 -0.091 1.00 0.00 C ATOM 1438 C ARG A 91 -10.181 -3.159 -1.258 1.00 0.00 C ATOM 1439 O ARG A 91 -9.433 -2.169 -1.250 1.00 0.00 O ATOM 1440 CB ARG A 91 -9.485 -5.416 -0.533 1.00 0.00 C ATOM 1441 CG ARG A 91 -9.095 -6.350 0.598 1.00 0.00 C ATOM 1442 CD ARG A 91 -7.736 -6.967 0.360 1.00 0.00 C ATOM 1443 NE ARG A 91 -7.776 -8.404 0.504 1.00 0.00 N ATOM 1444 CZ ARG A 91 -6.987 -9.245 -0.153 1.00 0.00 C ATOM 1445 NH1 ARG A 91 -6.130 -8.790 -0.996 1.00 0.00 N ATOM 1446 NH2 ARG A 91 -7.114 -10.544 0.056 1.00 0.00 N ATOM 0 H ARG A 91 -11.956 -5.238 0.327 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.655 -3.782 0.780 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.128 -5.957 -1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.586 -5.138 -1.083 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.087 -5.800 1.539 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.842 -7.138 0.695 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.388 -6.710 -0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.017 -6.549 1.065 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.456 -8.798 1.154 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.058 -7.786 -1.158 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.522 -9.433 -1.503 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.812 -10.889 0.715 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.514 -11.202 -0.442 1.00 0.00 H new ATOM 1460 N GLU A 92 -11.030 -3.378 -2.233 1.00 0.00 N ATOM 1461 CA GLU A 92 -11.114 -2.544 -3.420 1.00 0.00 C ATOM 1462 C GLU A 92 -11.460 -1.113 -3.020 1.00 0.00 C ATOM 1463 O GLU A 92 -10.946 -0.122 -3.566 1.00 0.00 O ATOM 1464 CB GLU A 92 -12.154 -3.052 -4.388 1.00 0.00 C ATOM 1465 CG GLU A 92 -12.096 -2.426 -5.772 1.00 0.00 C ATOM 1466 CD GLU A 92 -10.789 -2.686 -6.481 1.00 0.00 C ATOM 1467 OE1 GLU A 92 -10.030 -3.578 -6.019 1.00 0.00 O ATOM 1468 OE2 GLU A 92 -10.564 -2.041 -7.524 1.00 0.00 O ATOM 0 H GLU A 92 -11.695 -4.152 -2.229 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.143 -2.575 -3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.041 -4.131 -4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.142 -2.873 -3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.915 -2.816 -6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.249 -1.350 -5.685 1.00 0.00 H new ATOM 1475 N ASP A 93 -12.356 -0.973 -2.048 1.00 0.00 N ATOM 1476 CA ASP A 93 -12.767 0.344 -1.574 1.00 0.00 C ATOM 1477 C ASP A 93 -11.560 1.150 -1.042 1.00 0.00 C ATOM 1478 O ASP A 93 -11.368 2.318 -1.383 1.00 0.00 O ATOM 1479 CB ASP A 93 -13.814 0.235 -0.458 1.00 0.00 C ATOM 1480 CG ASP A 93 -14.030 1.532 0.297 1.00 0.00 C ATOM 1481 OD1 ASP A 93 -14.481 1.461 1.488 1.00 0.00 O ATOM 1482 OD2 ASP A 93 -13.752 2.606 -0.277 1.00 0.00 O ATOM 0 H ASP A 93 -12.811 -1.754 -1.574 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.202 0.862 -2.429 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -14.762 -0.087 -0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.505 -0.538 0.245 1.00 0.00 H new ATOM 1487 N GLY A 94 -10.746 0.494 -0.221 1.00 0.00 N ATOM 1488 CA GLY A 94 -9.562 1.165 0.335 1.00 0.00 C ATOM 1489 C GLY A 94 -8.623 1.634 -0.756 1.00 0.00 C ATOM 1490 O GLY A 94 -7.994 2.655 -0.647 1.00 0.00 O ATOM 0 H GLY A 94 -10.873 -0.475 0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.876 2.018 0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.035 0.481 1.001 1.00 0.00 H new ATOM 1494 N ILE A 95 -8.540 0.841 -1.870 1.00 0.00 N ATOM 1495 CA ILE A 95 -7.717 1.143 -2.979 1.00 0.00 C ATOM 1496 C ILE A 95 -8.093 2.491 -3.593 1.00 0.00 C ATOM 1497 O ILE A 95 -7.234 3.332 -3.986 1.00 0.00 O ATOM 1498 CB ILE A 95 -7.732 0.089 -4.087 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -6.603 -0.955 -3.759 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -7.605 0.625 -5.444 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -6.443 -1.993 -4.893 1.00 0.00 C ATOM 0 H ILE A 95 -9.068 -0.025 -1.977 1.00 0.00 H new ATOM 0 HA ILE A 95 -6.708 1.168 -2.567 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.715 -0.383 -4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.658 -0.434 -3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.840 -1.467 -2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.626 -0.195 -6.162 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.433 1.305 -5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.662 1.164 -5.536 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.654 -2.698 -4.632 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.381 -2.531 -5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.181 -1.482 -5.820 1.00 0.00 H new ATOM 1513 N ALA A 96 -9.424 2.756 -3.673 1.00 0.00 N ATOM 1514 CA ALA A 96 -9.932 3.974 -4.254 1.00 0.00 C ATOM 1515 C ALA A 96 -9.391 5.194 -3.475 1.00 0.00 C ATOM 1516 O ALA A 96 -8.820 6.107 -4.078 1.00 0.00 O ATOM 1517 CB ALA A 96 -11.422 4.000 -4.250 1.00 0.00 C ATOM 0 H ALA A 96 -10.148 2.123 -3.333 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.594 4.017 -5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -11.771 4.932 -4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.802 3.157 -4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.784 3.930 -3.224 1.00 0.00 H new ATOM 1523 N TYR A 97 -9.447 5.085 -2.164 1.00 0.00 N ATOM 1524 CA TYR A 97 -8.893 6.135 -1.308 1.00 0.00 C ATOM 1525 C TYR A 97 -7.426 6.298 -1.549 1.00 0.00 C ATOM 1526 O TYR A 97 -6.870 7.402 -1.548 1.00 0.00 O ATOM 1527 CB TYR A 97 -9.183 5.859 0.149 1.00 0.00 C ATOM 1528 CG TYR A 97 -8.377 6.695 1.098 1.00 0.00 C ATOM 1529 CD1 TYR A 97 -7.842 6.163 2.247 1.00 0.00 C ATOM 1530 CD2 TYR A 97 -8.210 8.040 0.883 1.00 0.00 C ATOM 1531 CE1 TYR A 97 -7.132 6.941 3.155 1.00 0.00 C ATOM 1532 CE2 TYR A 97 -7.526 8.842 1.758 1.00 0.00 C ATOM 1533 CZ TYR A 97 -6.939 8.318 2.881 1.00 0.00 C ATOM 1534 OH TYR A 97 -6.267 9.074 3.768 1.00 0.00 O ATOM 0 H TYR A 97 -9.861 4.297 -1.666 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.381 7.075 -1.567 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.243 6.032 0.338 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.991 4.806 0.354 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.977 5.111 2.450 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.633 8.482 -0.007 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.733 6.502 4.057 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -7.448 9.901 1.561 1.00 0.00 H new ATOM 0 HH TYR A 97 -6.216 9.996 3.440 1.00 0.00 H new ATOM 1544 N LEU A 98 -6.752 5.196 -1.747 1.00 0.00 N ATOM 1545 CA LEU A 98 -5.349 5.167 -2.016 1.00 0.00 C ATOM 1546 C LEU A 98 -4.994 5.925 -3.328 1.00 0.00 C ATOM 1547 O LEU A 98 -3.932 6.563 -3.406 1.00 0.00 O ATOM 1548 CB LEU A 98 -4.786 3.715 -2.117 1.00 0.00 C ATOM 1549 CG LEU A 98 -3.560 3.414 -1.245 1.00 0.00 C ATOM 1550 CD1 LEU A 98 -3.365 1.891 -1.209 1.00 0.00 C ATOM 1551 CD2 LEU A 98 -2.355 4.133 -1.781 1.00 0.00 C ATOM 0 H LEU A 98 -7.181 4.271 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.885 5.667 -1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.580 3.018 -1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.526 3.517 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.707 3.772 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.498 1.650 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.252 1.420 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.206 1.520 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.491 3.912 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.158 3.802 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.541 5.207 -1.777 1.00 0.00 H new ATOM 1563 N LYS A 99 -5.863 5.802 -4.279 1.00 0.00 N ATOM 1564 CA LYS A 99 -5.675 6.467 -5.561 1.00 0.00 C ATOM 1565 C LYS A 99 -5.543 7.987 -5.403 1.00 0.00 C ATOM 1566 O LYS A 99 -4.707 8.630 -6.007 1.00 0.00 O ATOM 1567 CB LYS A 99 -6.834 6.196 -6.512 1.00 0.00 C ATOM 1568 CG LYS A 99 -7.201 4.680 -6.557 1.00 0.00 C ATOM 1569 CD LYS A 99 -6.036 3.840 -6.969 1.00 0.00 C ATOM 1570 CE LYS A 99 -5.197 3.398 -5.788 1.00 0.00 C ATOM 1571 NZ LYS A 99 -5.275 1.899 -5.623 1.00 0.00 N ATOM 0 H LYS A 99 -6.717 5.249 -4.207 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.753 6.058 -5.973 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.705 6.772 -6.198 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.570 6.537 -7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.550 4.361 -5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.025 4.526 -7.254 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.396 2.962 -7.504 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.413 4.403 -7.663 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.160 3.701 -5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.547 3.890 -4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.248 1.659 -4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.162 1.550 -6.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.468 1.454 -6.106 1.00 0.00 H new ATOM 1585 N LYS A 100 -6.401 8.580 -4.552 1.00 0.00 N ATOM 1586 CA LYS A 100 -6.411 9.981 -4.279 1.00 0.00 C ATOM 1587 C LYS A 100 -5.240 10.330 -3.329 1.00 0.00 C ATOM 1588 O LYS A 100 -4.618 11.391 -3.473 1.00 0.00 O ATOM 1589 CB LYS A 100 -7.745 10.431 -3.679 1.00 0.00 C ATOM 1590 CG LYS A 100 -7.592 11.349 -2.476 1.00 0.00 C ATOM 1591 CD LYS A 100 -8.907 11.650 -1.836 1.00 0.00 C ATOM 1592 CE LYS A 100 -9.924 12.105 -2.868 1.00 0.00 C ATOM 1593 NZ LYS A 100 -9.701 13.537 -3.300 1.00 0.00 N ATOM 0 H LYS A 100 -7.113 8.063 -4.036 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.286 10.515 -5.221 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.324 10.945 -4.446 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.317 9.551 -3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.931 10.883 -1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.118 12.280 -2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.277 10.763 -1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.779 12.425 -1.081 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.871 11.452 -3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.928 12.004 -2.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.775 13.603 -4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.420 14.148 -2.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.754 13.847 -3.001 1.00 0.00 H new ATOM 1607 N ALA A 101 -5.038 9.445 -2.396 1.00 0.00 N ATOM 1608 CA ALA A 101 -3.995 9.580 -1.362 1.00 0.00 C ATOM 1609 C ALA A 101 -2.628 9.737 -2.033 1.00 0.00 C ATOM 1610 O ALA A 101 -1.732 10.355 -1.449 1.00 0.00 O ATOM 1611 CB ALA A 101 -3.976 8.405 -0.431 1.00 0.00 C ATOM 0 H ALA A 101 -5.588 8.590 -2.311 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.222 10.465 -0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.194 8.544 0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.942 8.320 0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.779 7.495 -0.998 1.00 0.00 H new ATOM 1617 N THR A 102 -2.456 9.172 -3.222 1.00 0.00 N ATOM 1618 CA THR A 102 -1.237 9.293 -3.911 1.00 0.00 C ATOM 1619 C THR A 102 -1.395 10.329 -4.978 1.00 0.00 C ATOM 1620 O THR A 102 -0.467 10.988 -5.447 1.00 0.00 O ATOM 1621 CB THR A 102 -0.841 7.948 -4.555 1.00 0.00 C ATOM 1622 OG1 THR A 102 0.054 8.155 -5.642 1.00 0.00 O ATOM 1623 CG2 THR A 102 -2.072 7.187 -5.128 1.00 0.00 C ATOM 0 H THR A 102 -3.169 8.627 -3.708 1.00 0.00 H new ATOM 0 HA THR A 102 -0.454 9.583 -3.211 1.00 0.00 H new ATOM 0 HB THR A 102 -0.376 7.362 -3.762 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.457 8.255 -6.472 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.744 6.247 -5.571 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.780 6.983 -4.325 1.00 0.00 H new ATOM 0 HG23 THR A 102 -2.555 7.798 -5.890 1.00 0.00 H new ATOM 1631 N ASN A 103 -2.685 10.582 -5.340 1.00 0.00 N ATOM 1632 CA ASN A 103 -3.008 11.653 -6.257 1.00 0.00 C ATOM 1633 C ASN A 103 -4.462 12.055 -6.023 1.00 0.00 C ATOM 1634 O ASN A 103 -5.395 11.331 -6.349 1.00 0.00 O ATOM 1635 CB ASN A 103 -2.824 11.161 -7.672 1.00 0.00 C ATOM 1636 CG ASN A 103 -1.783 10.043 -7.800 1.00 0.00 C ATOM 1637 OD1 ASN A 103 -2.187 8.819 -7.567 1.00 0.00 O flip ATOM 1638 ND2 ASN A 103 -0.625 10.309 -8.120 1.00 0.00 N flip ATOM 0 H ASN A 103 -3.490 10.053 -5.003 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.358 12.513 -6.096 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.781 10.801 -8.050 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -2.526 11.998 -8.303 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.353 11.277 -8.292 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.063 9.562 -8.213 1.00 0.00 H new ATOM 1645 N GLU A 104 -4.618 13.309 -5.538 1.00 0.00 N ATOM 1646 CA GLU A 104 -5.941 13.869 -5.263 1.00 0.00 C ATOM 1647 C GLU A 104 -5.916 14.879 -4.154 1.00 0.00 C ATOM 1648 O GLU A 104 -6.234 16.045 -4.408 1.00 0.00 O ATOM 1649 CB GLU A 104 -6.950 12.750 -4.921 1.00 0.00 C ATOM 1650 CG GLU A 104 -7.618 12.168 -6.148 1.00 0.00 C ATOM 1651 CD GLU A 104 -9.089 12.600 -6.303 1.00 0.00 C ATOM 1652 OE1 GLU A 104 -9.281 13.583 -7.096 1.00 0.00 O ATOM 1653 OE2 GLU A 104 -9.953 12.011 -5.655 1.00 0.00 O ATOM 1654 OXT GLU A 104 -5.518 14.532 -3.015 1.00 0.00 O ATOM 0 H GLU A 104 -3.843 13.940 -5.334 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.257 14.380 -6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.435 11.955 -4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.713 13.147 -4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.062 12.472 -7.035 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.569 11.080 -6.098 1.00 0.00 H new TER 1661 GLU A 104 HETATM 1662 FE HEC A 201 1.868 -4.903 3.289 1.00 0.00 FE HETATM 1663 CHA HEC A 201 4.599 -4.997 1.355 1.00 0.00 C HETATM 1664 CHB HEC A 201 0.223 -3.195 1.076 1.00 0.00 C HETATM 1665 CHC HEC A 201 -1.087 -5.766 4.827 1.00 0.00 C HETATM 1666 CHD HEC A 201 3.607 -6.055 5.865 1.00 0.00 C HETATM 1667 NA HEC A 201 2.289 -4.426 1.429 1.00 0.00 N HETATM 1668 C1A HEC A 201 3.551 -4.195 1.016 1.00 0.00 C HETATM 1669 C2A HEC A 201 3.675 -3.001 0.172 1.00 0.00 C HETATM 1670 C3A HEC A 201 2.425 -2.527 0.104 1.00 0.00 C HETATM 1671 C4A HEC A 201 1.584 -3.373 0.903 1.00 0.00 C HETATM 1672 CMA HEC A 201 2.017 -1.213 -0.604 1.00 0.00 C HETATM 1673 CAA HEC A 201 4.912 -2.475 -0.522 1.00 0.00 C HETATM 1674 CBA HEC A 201 4.721 -1.022 -0.994 1.00 0.00 C HETATM 1675 CGA HEC A 201 6.027 -0.425 -1.413 1.00 0.00 C HETATM 1676 O1A HEC A 201 6.256 0.784 -1.163 1.00 0.00 O HETATM 1677 O2A HEC A 201 6.840 -1.175 -1.980 1.00 0.00 O HETATM 1678 NB HEC A 201 -0.058 -4.620 2.919 1.00 0.00 N HETATM 1679 C1B HEC A 201 -0.595 -3.740 2.046 1.00 0.00 C HETATM 1680 C2B HEC A 201 -1.984 -3.531 2.267 1.00 0.00 C HETATM 1681 C3B HEC A 201 -2.381 -4.314 3.364 1.00 0.00 C HETATM 1682 C4B HEC A 201 -1.163 -4.925 3.748 1.00 0.00 C HETATM 1683 CMB HEC A 201 -2.884 -2.610 1.386 1.00 0.00 C HETATM 1684 CAB HEC A 201 -3.764 -4.235 3.946 1.00 0.00 C HETATM 1685 CBB HEC A 201 -4.916 -4.306 2.948 1.00 0.00 C HETATM 1686 NC HEC A 201 1.361 -5.687 5.010 1.00 0.00 N HETATM 1687 C1C HEC A 201 0.109 -6.084 5.477 1.00 0.00 C HETATM 1688 C2C HEC A 201 0.218 -6.897 6.680 1.00 0.00 C HETATM 1689 C3C HEC A 201 1.574 -6.983 6.974 1.00 0.00 C HETATM 1690 C4C HEC A 201 2.211 -6.224 5.974 1.00 0.00 C HETATM 1691 CMC HEC A 201 -0.964 -7.522 7.452 1.00 0.00 C HETATM 1692 CAC HEC A 201 2.178 -7.685 8.120 1.00 0.00 C HETATM 1693 CBC HEC A 201 2.557 -9.128 8.412 1.00 0.00 C HETATM 1694 ND HEC A 201 3.715 -5.451 3.537 1.00 0.00 N HETATM 1695 C1D HEC A 201 4.322 -5.926 4.728 1.00 0.00 C HETATM 1696 C2D HEC A 201 5.689 -6.219 4.532 1.00 0.00 C HETATM 1697 C3D HEC A 201 5.966 -5.958 3.268 1.00 0.00 C HETATM 1698 C4D HEC A 201 4.795 -5.454 2.610 1.00 0.00 C HETATM 1699 CMD HEC A 201 6.661 -6.806 5.575 1.00 0.00 C HETATM 1700 CAD HEC A 201 7.322 -6.076 2.490 1.00 0.00 C HETATM 1701 CBD HEC A 201 7.188 -6.935 1.261 1.00 0.00 C HETATM 1702 CGD HEC A 201 5.793 -7.520 1.107 1.00 0.00 C HETATM 1703 O1D HEC A 201 5.339 -7.632 -0.020 1.00 0.00 O HETATM 1704 O2D HEC A 201 5.265 -7.821 2.158 1.00 0.00 O HETATM 0 HMD3 HEC A 201 6.725 -6.134 6.431 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 6.297 -7.779 5.904 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 7.649 -6.920 5.128 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 -1.632 -6.732 7.797 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 -1.511 -8.198 6.795 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 -0.585 -8.077 8.310 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 -2.500 -1.590 1.416 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 -2.877 -2.970 0.357 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 -3.905 -2.625 1.768 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 2.540 -0.374 -0.144 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 2.282 -1.271 -1.660 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 0.941 -1.067 -0.508 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 7.429 -6.341 0.379 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 7.915 -7.746 1.308 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 1.668 -9.756 8.356 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 3.288 -9.468 7.679 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 2.987 -9.196 9.411 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 -4.838 -3.479 2.243 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 -4.870 -5.251 2.406 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 -5.864 -4.239 3.481 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 4.019 -0.995 -1.828 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 4.285 -0.428 -0.191 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 7.664 -5.082 2.203 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 8.083 -6.498 3.147 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 5.762 -2.529 0.158 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 5.147 -3.108 -1.377 1.00 0.00 H new HETATM 0 HHD HEC A 201 4.168 -6.025 6.799 1.00 0.00 H new HETATM 0 HHC HEC A 201 -2.010 -6.211 5.199 1.00 0.00 H new HETATM 0 HHB HEC A 201 -0.266 -2.541 0.354 1.00 0.00 H new HETATM 0 HHA HEC A 201 5.310 -5.282 0.579 1.00 0.00 H new