USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 99 GLN : amide:sc= -0.106 K(o=-0.1,f=-0.84) USER MOD Set 1.2: A 102 GLN : amide:sc= 0.00229 X(o=-0.1,f=-0.13) USER MOD Set 2.1: A 95 ASN : amide:sc= 1.07 K(o=1.3,f=0.25) USER MOD Set 2.2: A 98 SER OG : rot 180:sc= 0.225 USER MOD Set 3.1: A 88 HIS :FLIP no HD1:sc= -2.88 F(o=-4.2,f=-3.6) USER MOD Set 3.2: A 89 ASN :FLIP amide:sc= -0.707 F(o=-7.3,f=-3.6) USER MOD Set 4.1: A 22 ASN :FLIP amide:sc= -0.0823 F(o=-1.8,f=-0.11) USER MOD Set 4.2: A 23 HIS :FLIP no HE2:sc= -0.0252 F(o=-1.8,f=-0.11) USER MOD Set 5.1: A 9 SER OG : rot 158:sc= -0.283 USER MOD Set 5.2: A 13 GLN : amide:sc= 0.514 K(o=0.23,f=-1.4) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc=-0.00483 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.23 F(o=-3.9,f=-1.2) USER MOD Single : A 15 MET CE :methyl -172:sc= -7.6! (180deg=-7.92!) USER MOD Single : A 20 MET CE :methyl 142:sc= -12! (180deg=-17.9!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -123:sc= -0.113 (180deg=-2.36!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.53) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0141 K(o=-0.014,f=-2.5!) USER MOD Single : A 39 SER OG : rot 180:sc= -0.508 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= -0.296 K(o=-0.3,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0962 K(o=-0.096,f=-1.2!) USER MOD Single : A 53 MET CE :methyl -129:sc= -0.365 (180deg=-3.1!) USER MOD Single : A 54 GLN : amide:sc= 0.0326 X(o=0.033,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.082 X(o=-0.082,f=-0.48) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -177:sc= -3.29! (180deg=-3.37!) USER MOD Single : A 68 MET CE :methyl -166:sc=-0.00536 (180deg=-0.284) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -112:sc= -16.2! (180deg=-23.4!) USER MOD Single : A 72 ASN : amide:sc= -0.546 K(o=-0.55,f=-3.8!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -108:sc= -3.31! (180deg=-9.24!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 84 MET CE :methyl -152:sc= -5.61! (180deg=-8.87!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -109:sc= -0.393 (180deg=-1.22) USER MOD Single : A 97 MET CE :methyl 151:sc= -0.129 (180deg=-0.878) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 21.086 6.524 3.974 1.00 0.00 N ATOM 2 CA PRO A 1 19.881 5.781 3.449 1.00 0.00 C ATOM 3 C PRO A 1 19.734 5.909 1.913 1.00 0.00 C ATOM 4 O PRO A 1 18.991 6.744 1.392 1.00 0.00 O ATOM 5 CB PRO A 1 18.595 6.204 4.177 1.00 0.00 C ATOM 6 CG PRO A 1 18.917 7.597 4.715 1.00 0.00 C ATOM 7 CD PRO A 1 20.437 7.736 4.565 1.00 0.00 C ATOM 0 H2 PRO A 1 21.746 6.762 3.233 1.00 0.00 H new ATOM 0 H3 PRO A 1 21.600 5.983 4.670 1.00 0.00 H new ATOM 0 HA PRO A 1 20.047 4.725 3.661 1.00 0.00 H new ATOM 0 HB2 PRO A 1 17.741 6.225 3.500 1.00 0.00 H new ATOM 0 HB3 PRO A 1 18.346 5.513 4.982 1.00 0.00 H new ATOM 0 HG2 PRO A 1 18.392 8.369 4.152 1.00 0.00 H new ATOM 0 HG3 PRO A 1 18.612 7.699 5.756 1.00 0.00 H new ATOM 0 HD2 PRO A 1 20.656 8.600 3.937 1.00 0.00 H new ATOM 0 HD3 PRO A 1 20.875 7.934 5.543 1.00 0.00 H new ATOM 15 N TYR A 2 20.491 5.075 1.199 1.00 0.00 N ATOM 16 CA TYR A 2 20.452 5.024 -0.258 1.00 0.00 C ATOM 17 C TYR A 2 19.030 4.761 -0.775 1.00 0.00 C ATOM 18 O TYR A 2 18.244 4.074 -0.126 1.00 0.00 O ATOM 19 CB TYR A 2 21.422 3.929 -0.728 1.00 0.00 C ATOM 20 CG TYR A 2 20.874 2.520 -0.600 1.00 0.00 C ATOM 21 CD1 TYR A 2 20.048 1.984 -1.620 1.00 0.00 C ATOM 22 CD2 TYR A 2 21.131 1.752 0.560 1.00 0.00 C ATOM 23 CE1 TYR A 2 19.498 0.699 -1.490 1.00 0.00 C ATOM 24 CE2 TYR A 2 20.586 0.465 0.686 1.00 0.00 C ATOM 25 CZ TYR A 2 19.767 -0.073 -0.334 1.00 0.00 C ATOM 26 OH TYR A 2 19.307 -1.333 -0.222 1.00 0.00 O ATOM 0 H TYR A 2 21.148 4.416 1.617 1.00 0.00 H new ATOM 0 HA TYR A 2 20.756 5.989 -0.663 1.00 0.00 H new ATOM 0 HB2 TYR A 2 21.683 4.113 -1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 2 22.344 4.003 -0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 2 19.840 2.569 -2.504 1.00 0.00 H new ATOM 0 HD2 TYR A 2 21.747 2.157 1.349 1.00 0.00 H new ATOM 0 HE1 TYR A 2 18.869 0.299 -2.272 1.00 0.00 H new ATOM 0 HE2 TYR A 2 20.794 -0.120 1.570 1.00 0.00 H new ATOM 0 HH TYR A 2 19.590 -1.709 0.638 1.00 0.00 H new ATOM 36 N GLY A 3 18.729 5.239 -1.973 1.00 0.00 N ATOM 37 CA GLY A 3 17.415 5.036 -2.572 1.00 0.00 C ATOM 38 C GLY A 3 17.543 5.007 -4.079 1.00 0.00 C ATOM 39 O GLY A 3 17.456 6.045 -4.722 1.00 0.00 O ATOM 0 H GLY A 3 19.378 5.772 -2.552 1.00 0.00 H new ATOM 0 HA2 GLY A 3 16.982 4.101 -2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 3 16.739 5.836 -2.270 1.00 0.00 H new ATOM 43 N ARG A 4 17.826 3.831 -4.639 1.00 0.00 N ATOM 44 CA ARG A 4 17.949 3.652 -6.088 1.00 0.00 C ATOM 45 C ARG A 4 17.061 2.511 -6.550 1.00 0.00 C ATOM 46 O ARG A 4 17.326 1.371 -6.187 1.00 0.00 O ATOM 47 CB ARG A 4 19.417 3.404 -6.456 1.00 0.00 C ATOM 48 CG ARG A 4 19.602 3.571 -7.976 1.00 0.00 C ATOM 49 CD ARG A 4 20.449 4.808 -8.289 1.00 0.00 C ATOM 50 NE ARG A 4 19.952 5.525 -9.472 1.00 0.00 N ATOM 51 CZ ARG A 4 20.281 6.752 -9.826 1.00 0.00 C ATOM 52 NH1 ARG A 4 21.138 7.443 -9.130 1.00 0.00 N ATOM 53 NH2 ARG A 4 19.764 7.294 -10.888 1.00 0.00 N ATOM 0 H ARG A 4 17.976 2.976 -4.103 1.00 0.00 H new ATOM 0 HA ARG A 4 17.619 4.558 -6.597 1.00 0.00 H new ATOM 0 HB2 ARG A 4 20.060 4.104 -5.922 1.00 0.00 H new ATOM 0 HB3 ARG A 4 19.715 2.401 -6.151 1.00 0.00 H new ATOM 0 HG2 ARG A 4 20.081 2.683 -8.388 1.00 0.00 H new ATOM 0 HG3 ARG A 4 18.628 3.660 -8.458 1.00 0.00 H new ATOM 0 HD2 ARG A 4 20.445 5.478 -7.429 1.00 0.00 H new ATOM 0 HD3 ARG A 4 21.484 4.508 -8.454 1.00 0.00 H new ATOM 0 HE ARG A 4 19.294 5.029 -10.073 1.00 0.00 H new ATOM 0 HH11 ARG A 4 21.565 7.036 -8.298 1.00 0.00 H new ATOM 0 HH12 ARG A 4 21.382 8.391 -9.417 1.00 0.00 H new ATOM 0 HH21 ARG A 4 19.098 6.770 -11.455 1.00 0.00 H new ATOM 0 HH22 ARG A 4 20.024 8.244 -11.154 1.00 0.00 H new ATOM 67 N GLY A 5 16.053 2.813 -7.359 1.00 0.00 N ATOM 68 CA GLY A 5 15.141 1.810 -7.903 1.00 0.00 C ATOM 69 C GLY A 5 15.840 0.975 -8.963 1.00 0.00 C ATOM 70 O GLY A 5 15.970 1.421 -10.100 1.00 0.00 O ATOM 0 H GLY A 5 15.843 3.765 -7.659 1.00 0.00 H new ATOM 0 HA2 GLY A 5 14.781 1.164 -7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 5 14.268 2.300 -8.334 1.00 0.00 H new ATOM 74 N ARG A 6 16.391 -0.173 -8.571 1.00 0.00 N ATOM 75 CA ARG A 6 17.070 -1.077 -9.499 1.00 0.00 C ATOM 76 C ARG A 6 17.126 -2.485 -8.949 1.00 0.00 C ATOM 77 O ARG A 6 18.072 -2.832 -8.244 1.00 0.00 O ATOM 78 CB ARG A 6 18.486 -0.568 -9.778 1.00 0.00 C ATOM 79 CG ARG A 6 19.060 -1.339 -10.975 1.00 0.00 C ATOM 80 CD ARG A 6 20.145 -2.340 -10.545 1.00 0.00 C ATOM 81 NE ARG A 6 21.403 -1.655 -10.210 1.00 0.00 N ATOM 82 CZ ARG A 6 22.199 -1.065 -11.080 1.00 0.00 C ATOM 83 NH1 ARG A 6 21.920 -1.065 -12.354 1.00 0.00 N ATOM 84 NH2 ARG A 6 23.268 -0.445 -10.688 1.00 0.00 N ATOM 0 H ARG A 6 16.380 -0.502 -7.606 1.00 0.00 H new ATOM 0 HA ARG A 6 16.502 -1.100 -10.429 1.00 0.00 H new ATOM 0 HB2 ARG A 6 18.468 0.501 -9.991 1.00 0.00 H new ATOM 0 HB3 ARG A 6 19.117 -0.708 -8.901 1.00 0.00 H new ATOM 0 HG2 ARG A 6 18.256 -1.871 -11.483 1.00 0.00 H new ATOM 0 HG3 ARG A 6 19.480 -0.635 -11.693 1.00 0.00 H new ATOM 0 HD2 ARG A 6 19.797 -2.908 -9.682 1.00 0.00 H new ATOM 0 HD3 ARG A 6 20.321 -3.056 -11.348 1.00 0.00 H new ATOM 0 HE ARG A 6 21.681 -1.635 -9.229 1.00 0.00 H new ATOM 0 HH11 ARG A 6 21.075 -1.526 -12.691 1.00 0.00 H new ATOM 0 HH12 ARG A 6 22.547 -0.604 -13.013 1.00 0.00 H new ATOM 0 HH21 ARG A 6 23.502 -0.409 -9.696 1.00 0.00 H new ATOM 0 HH22 ARG A 6 23.875 0.007 -11.372 1.00 0.00 H new ATOM 98 N THR A 7 16.109 -3.270 -9.219 1.00 0.00 N ATOM 99 CA THR A 7 15.994 -4.613 -8.652 1.00 0.00 C ATOM 100 C THR A 7 15.254 -5.510 -9.628 1.00 0.00 C ATOM 101 O THR A 7 14.980 -5.097 -10.752 1.00 0.00 O ATOM 102 CB THR A 7 15.289 -4.546 -7.286 1.00 0.00 C ATOM 103 OG1 THR A 7 14.038 -3.920 -7.445 1.00 0.00 O ATOM 104 CG2 THR A 7 16.062 -3.712 -6.260 1.00 0.00 C ATOM 0 H THR A 7 15.338 -3.007 -9.833 1.00 0.00 H new ATOM 0 HA THR A 7 16.985 -5.037 -8.489 1.00 0.00 H new ATOM 0 HB THR A 7 15.208 -5.572 -6.927 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.582 -3.875 -6.579 1.00 0.00 H new ATOM 0 HG21 THR A 7 15.517 -3.700 -5.316 1.00 0.00 H new ATOM 0 HG22 THR A 7 17.048 -4.149 -6.104 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.171 -2.692 -6.628 1.00 0.00 H new ATOM 112 N GLU A 8 14.979 -6.741 -9.229 1.00 0.00 N ATOM 113 CA GLU A 8 14.223 -7.676 -10.060 1.00 0.00 C ATOM 114 C GLU A 8 12.713 -7.420 -9.992 1.00 0.00 C ATOM 115 O GLU A 8 12.254 -6.528 -9.277 1.00 0.00 O ATOM 116 CB GLU A 8 14.566 -9.111 -9.650 1.00 0.00 C ATOM 117 CG GLU A 8 16.046 -9.398 -9.918 1.00 0.00 C ATOM 118 CD GLU A 8 16.323 -10.901 -9.847 1.00 0.00 C ATOM 119 OE1 GLU A 8 15.925 -11.592 -10.813 1.00 0.00 O ATOM 120 OE2 GLU A 8 16.917 -11.326 -8.833 1.00 0.00 O ATOM 0 H GLU A 8 15.269 -7.122 -8.328 1.00 0.00 H new ATOM 0 HA GLU A 8 14.511 -7.522 -11.100 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.345 -9.257 -8.593 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.945 -9.814 -10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.324 -9.017 -10.901 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.662 -8.874 -9.187 1.00 0.00 H new ATOM 127 N SER A 9 11.949 -8.186 -10.765 1.00 0.00 N ATOM 128 CA SER A 9 10.491 -8.140 -10.745 1.00 0.00 C ATOM 129 C SER A 9 9.912 -9.013 -9.606 1.00 0.00 C ATOM 130 O SER A 9 10.618 -9.575 -8.772 1.00 0.00 O ATOM 131 CB SER A 9 10.005 -8.565 -12.151 1.00 0.00 C ATOM 132 OG SER A 9 8.613 -8.744 -12.196 1.00 0.00 O ATOM 0 H SER A 9 12.328 -8.862 -11.428 1.00 0.00 H new ATOM 0 HA SER A 9 10.131 -7.134 -10.529 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.297 -7.808 -12.879 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.499 -9.493 -12.440 1.00 0.00 H new ATOM 0 HG SER A 9 8.302 -8.657 -13.121 1.00 0.00 H new ATOM 138 N GLY A 10 8.604 -9.121 -9.538 1.00 0.00 N ATOM 139 CA GLY A 10 7.903 -9.986 -8.609 1.00 0.00 C ATOM 140 C GLY A 10 6.660 -9.281 -8.166 1.00 0.00 C ATOM 141 O GLY A 10 6.085 -8.528 -8.926 1.00 0.00 O ATOM 0 H GLY A 10 7.977 -8.594 -10.146 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.654 -10.934 -9.086 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.536 -10.217 -7.752 1.00 0.00 H new ATOM 145 N CYS A 11 6.207 -9.516 -6.944 1.00 0.00 N ATOM 146 CA CYS A 11 4.976 -8.942 -6.414 1.00 0.00 C ATOM 147 C CYS A 11 4.848 -7.472 -6.711 1.00 0.00 C ATOM 148 O CYS A 11 3.893 -7.126 -7.369 1.00 0.00 O ATOM 149 CB CYS A 11 4.928 -9.127 -4.935 1.00 0.00 C ATOM 150 SG CYS A 11 5.193 -10.793 -4.342 1.00 0.00 S ATOM 0 H CYS A 11 6.691 -10.121 -6.280 1.00 0.00 H new ATOM 0 HA CYS A 11 4.152 -9.462 -6.902 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.679 -8.479 -4.484 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.956 -8.786 -4.578 1.00 0.00 H new ATOM 155 N TYR A 12 5.861 -6.680 -6.337 1.00 0.00 N ATOM 156 CA TYR A 12 6.004 -5.276 -6.694 1.00 0.00 C ATOM 157 C TYR A 12 5.740 -4.974 -8.162 1.00 0.00 C ATOM 158 O TYR A 12 4.942 -4.116 -8.468 1.00 0.00 O ATOM 159 CB TYR A 12 7.422 -4.849 -6.372 1.00 0.00 C ATOM 160 CG TYR A 12 7.660 -3.371 -6.521 1.00 0.00 C ATOM 161 CD1 TYR A 12 6.908 -2.455 -5.755 1.00 0.00 C ATOM 162 CD2 TYR A 12 8.638 -2.896 -7.420 1.00 0.00 C ATOM 163 CE1 TYR A 12 7.149 -1.081 -5.860 1.00 0.00 C ATOM 164 CE2 TYR A 12 8.864 -1.518 -7.537 1.00 0.00 C ATOM 165 CZ TYR A 12 8.104 -0.597 -6.778 1.00 0.00 C ATOM 166 OH TYR A 12 8.361 0.719 -6.830 1.00 0.00 O ATOM 0 H TYR A 12 6.628 -7.019 -5.756 1.00 0.00 H new ATOM 0 HA TYR A 12 5.254 -4.729 -6.122 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.657 -5.144 -5.349 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.110 -5.386 -7.025 1.00 0.00 H new ATOM 0 HD1 TYR A 12 6.143 -2.817 -5.084 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.210 -3.592 -8.016 1.00 0.00 H new ATOM 0 HE1 TYR A 12 6.602 -0.389 -5.236 1.00 0.00 H new ATOM 0 HE2 TYR A 12 9.625 -1.156 -8.212 1.00 0.00 H new ATOM 0 HH TYR A 12 9.043 0.892 -7.512 1.00 0.00 H new ATOM 176 N GLN A 13 6.286 -5.798 -9.047 1.00 0.00 N ATOM 177 CA GLN A 13 5.992 -5.705 -10.461 1.00 0.00 C ATOM 178 C GLN A 13 4.525 -5.941 -10.794 1.00 0.00 C ATOM 179 O GLN A 13 3.981 -5.226 -11.608 1.00 0.00 O ATOM 180 CB GLN A 13 6.821 -6.723 -11.224 1.00 0.00 C ATOM 181 CG GLN A 13 6.847 -6.417 -12.724 1.00 0.00 C ATOM 182 CD GLN A 13 6.055 -7.455 -13.514 1.00 0.00 C ATOM 183 OE1 GLN A 13 6.602 -8.443 -13.996 1.00 0.00 O ATOM 184 NE2 GLN A 13 4.763 -7.283 -13.604 1.00 0.00 N ATOM 0 H GLN A 13 6.939 -6.542 -8.802 1.00 0.00 H new ATOM 0 HA GLN A 13 6.238 -4.684 -10.755 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.839 -6.729 -10.835 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.413 -7.721 -11.062 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.431 -5.425 -12.903 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.878 -6.398 -13.076 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.329 -6.455 -13.196 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.188 -7.977 -14.082 1.00 0.00 H new ATOM 193 N GLN A 14 3.877 -6.944 -10.215 1.00 0.00 N ATOM 194 CA GLN A 14 2.430 -7.142 -10.378 1.00 0.00 C ATOM 195 C GLN A 14 1.583 -6.140 -9.580 1.00 0.00 C ATOM 196 O GLN A 14 0.364 -6.117 -9.708 1.00 0.00 O ATOM 197 CB GLN A 14 2.080 -8.570 -9.964 1.00 0.00 C ATOM 198 CG GLN A 14 2.773 -9.599 -10.885 1.00 0.00 C ATOM 199 CD GLN A 14 3.429 -10.710 -10.076 1.00 0.00 C ATOM 200 OE1 GLN A 14 4.107 -10.366 -9.030 1.00 0.00 O flip ATOM 201 NE2 GLN A 14 3.375 -11.892 -10.344 1.00 0.00 N flip ATOM 0 H GLN A 14 4.329 -7.641 -9.623 1.00 0.00 H new ATOM 0 HA GLN A 14 2.193 -6.970 -11.428 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.385 -8.738 -8.931 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.000 -8.710 -10.005 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.042 -10.028 -11.570 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.525 -9.097 -11.494 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.851 -12.206 -11.161 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.854 -12.571 -9.753 1.00 0.00 H new ATOM 210 N MET A 15 2.207 -5.378 -8.695 1.00 0.00 N ATOM 211 CA MET A 15 1.559 -4.395 -7.853 1.00 0.00 C ATOM 212 C MET A 15 1.579 -3.045 -8.515 1.00 0.00 C ATOM 213 O MET A 15 0.496 -2.532 -8.724 1.00 0.00 O ATOM 214 CB MET A 15 2.261 -4.266 -6.525 1.00 0.00 C ATOM 215 CG MET A 15 1.857 -5.364 -5.562 1.00 0.00 C ATOM 216 SD MET A 15 1.714 -4.668 -3.920 1.00 0.00 S ATOM 217 CE MET A 15 3.464 -4.181 -3.804 1.00 0.00 C ATOM 0 H MET A 15 3.214 -5.432 -8.541 1.00 0.00 H new ATOM 0 HA MET A 15 0.534 -4.732 -7.697 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.339 -4.298 -6.680 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.031 -3.295 -6.086 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.909 -5.805 -5.869 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.597 -6.164 -5.570 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.680 -3.837 -2.792 1.00 0.00 H new ATOM 0 HE2 MET A 15 4.096 -5.037 -4.039 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.665 -3.376 -4.511 1.00 0.00 H new ATOM 227 N GLU A 16 2.749 -2.492 -8.825 1.00 0.00 N ATOM 228 CA GLU A 16 2.868 -1.204 -9.501 1.00 0.00 C ATOM 229 C GLU A 16 2.150 -1.244 -10.856 1.00 0.00 C ATOM 230 O GLU A 16 1.545 -0.269 -11.280 1.00 0.00 O ATOM 231 CB GLU A 16 4.355 -0.854 -9.674 1.00 0.00 C ATOM 232 CG GLU A 16 4.957 -1.410 -10.980 1.00 0.00 C ATOM 233 CD GLU A 16 6.488 -1.381 -10.997 1.00 0.00 C ATOM 234 OE1 GLU A 16 7.095 -1.900 -10.035 1.00 0.00 O ATOM 235 OE2 GLU A 16 7.065 -1.003 -12.043 1.00 0.00 O ATOM 0 H GLU A 16 3.646 -2.928 -8.613 1.00 0.00 H new ATOM 0 HA GLU A 16 2.394 -0.431 -8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.472 0.230 -9.659 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.916 -1.247 -8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.618 -2.436 -11.121 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.579 -0.831 -11.822 1.00 0.00 H new ATOM 242 N GLU A 17 2.165 -2.414 -11.508 1.00 0.00 N ATOM 243 CA GLU A 17 1.525 -2.573 -12.810 1.00 0.00 C ATOM 244 C GLU A 17 0.006 -2.531 -12.651 1.00 0.00 C ATOM 245 O GLU A 17 -0.746 -2.242 -13.577 1.00 0.00 O ATOM 246 CB GLU A 17 1.935 -3.904 -13.442 1.00 0.00 C ATOM 247 CG GLU A 17 1.614 -3.930 -14.939 1.00 0.00 C ATOM 248 CD GLU A 17 1.166 -5.324 -15.397 1.00 0.00 C ATOM 249 OE1 GLU A 17 1.853 -6.311 -15.028 1.00 0.00 O ATOM 250 OE2 GLU A 17 0.164 -5.408 -16.135 1.00 0.00 O ATOM 0 H GLU A 17 2.613 -3.259 -11.152 1.00 0.00 H new ATOM 0 HA GLU A 17 1.845 -1.757 -13.458 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.003 -4.066 -13.294 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.416 -4.722 -12.942 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.829 -3.206 -15.156 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.494 -3.626 -15.506 1.00 0.00 H new ATOM 257 N ALA A 18 -0.470 -2.767 -11.439 1.00 0.00 N ATOM 258 CA ALA A 18 -1.863 -2.709 -11.137 1.00 0.00 C ATOM 259 C ALA A 18 -2.108 -1.842 -9.933 1.00 0.00 C ATOM 260 O ALA A 18 -2.953 -2.249 -9.143 1.00 0.00 O ATOM 261 CB ALA A 18 -2.375 -4.137 -10.936 1.00 0.00 C ATOM 0 H ALA A 18 0.118 -3.005 -10.640 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.411 -2.254 -11.962 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.440 -4.112 -10.704 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.216 -4.712 -11.848 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.835 -4.605 -10.113 1.00 0.00 H new ATOM 267 N GLU A 19 -1.458 -0.665 -9.825 1.00 0.00 N ATOM 268 CA GLU A 19 -1.487 0.248 -8.668 1.00 0.00 C ATOM 269 C GLU A 19 -2.902 0.386 -8.081 1.00 0.00 C ATOM 270 O GLU A 19 -3.782 1.155 -8.505 1.00 0.00 O ATOM 271 CB GLU A 19 -0.944 1.619 -9.076 1.00 0.00 C ATOM 272 CG GLU A 19 -0.428 2.347 -7.843 1.00 0.00 C ATOM 273 CD GLU A 19 1.056 2.199 -7.698 1.00 0.00 C ATOM 274 OE1 GLU A 19 1.698 3.039 -8.335 1.00 0.00 O ATOM 275 OE2 GLU A 19 1.416 1.242 -6.954 1.00 0.00 O ATOM 0 H GLU A 19 -0.871 -0.310 -10.580 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.853 -0.178 -7.890 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.142 1.502 -9.805 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.728 2.205 -9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.684 3.404 -7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.922 1.955 -6.954 1.00 0.00 H new ATOM 282 N MET A 20 -3.194 -0.484 -7.141 1.00 0.00 N ATOM 283 CA MET A 20 -4.555 -0.637 -6.652 1.00 0.00 C ATOM 284 C MET A 20 -4.635 -0.041 -5.273 1.00 0.00 C ATOM 285 O MET A 20 -5.626 0.588 -4.908 1.00 0.00 O ATOM 286 CB MET A 20 -4.921 -2.094 -6.607 1.00 0.00 C ATOM 287 CG MET A 20 -4.298 -2.889 -5.452 1.00 0.00 C ATOM 288 SD MET A 20 -5.393 -2.995 -4.056 1.00 0.00 S ATOM 289 CE MET A 20 -6.873 -3.622 -4.831 1.00 0.00 C ATOM 0 H MET A 20 -2.511 -1.098 -6.697 1.00 0.00 H new ATOM 0 HA MET A 20 -5.252 -0.127 -7.317 1.00 0.00 H new ATOM 0 HB2 MET A 20 -6.006 -2.178 -6.541 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.622 -2.556 -7.548 1.00 0.00 H new ATOM 0 HG2 MET A 20 -4.049 -3.893 -5.795 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.365 -2.415 -5.147 1.00 0.00 H new ATOM 0 HE1 MET A 20 -7.358 -4.336 -4.165 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.554 -2.796 -5.036 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.612 -4.117 -5.766 1.00 0.00 H new ATOM 299 N LEU A 21 -3.510 -0.109 -4.574 1.00 0.00 N ATOM 300 CA LEU A 21 -3.388 0.491 -3.294 1.00 0.00 C ATOM 301 C LEU A 21 -3.086 1.988 -3.409 1.00 0.00 C ATOM 302 O LEU A 21 -2.987 2.700 -2.425 1.00 0.00 O ATOM 303 CB LEU A 21 -2.332 -0.245 -2.512 1.00 0.00 C ATOM 304 CG LEU A 21 -2.572 -1.757 -2.259 1.00 0.00 C ATOM 305 CD1 LEU A 21 -1.351 -2.626 -2.568 1.00 0.00 C ATOM 306 CD2 LEU A 21 -3.160 -2.049 -0.873 1.00 0.00 C ATOM 0 H LEU A 21 -2.668 -0.586 -4.897 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.335 0.414 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.383 -0.135 -3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.221 0.247 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.335 -2.047 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.588 -3.671 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.077 -2.509 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.516 -2.318 -1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.304 -3.123 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.475 -1.690 -0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.119 -1.541 -0.770 1.00 0.00 H new ATOM 318 N ASN A 22 -3.069 2.496 -4.640 1.00 0.00 N ATOM 319 CA ASN A 22 -2.922 3.918 -4.902 1.00 0.00 C ATOM 320 C ASN A 22 -4.200 4.662 -4.494 1.00 0.00 C ATOM 321 O ASN A 22 -4.203 5.842 -4.185 1.00 0.00 O ATOM 322 CB ASN A 22 -2.609 4.127 -6.395 1.00 0.00 C ATOM 323 CG ASN A 22 -3.559 5.025 -7.152 1.00 0.00 C ATOM 324 OD1 ASN A 22 -4.561 4.435 -7.732 1.00 0.00 O flip ATOM 325 ND2 ASN A 22 -3.568 6.232 -7.111 1.00 0.00 N flip ATOM 0 H ASN A 22 -3.157 1.928 -5.483 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.099 4.321 -4.312 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.604 4.540 -6.481 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.595 3.152 -6.883 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.800 6.733 -6.664 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.344 6.751 -7.523 1.00 0.00 H new ATOM 332 N HIS A 23 -5.334 3.957 -4.555 1.00 0.00 N ATOM 333 CA HIS A 23 -6.625 4.568 -4.330 1.00 0.00 C ATOM 334 C HIS A 23 -6.816 4.769 -2.842 1.00 0.00 C ATOM 335 O HIS A 23 -6.974 5.906 -2.423 1.00 0.00 O ATOM 336 CB HIS A 23 -7.748 3.697 -4.890 1.00 0.00 C ATOM 337 CG HIS A 23 -7.629 3.383 -6.357 1.00 0.00 C ATOM 338 ND1 HIS A 23 -6.666 2.624 -6.968 1.00 0.00 N flip ATOM 339 CD2 HIS A 23 -8.508 3.820 -7.329 1.00 0.00 C flip ATOM 340 CE1 HIS A 23 -6.936 2.616 -8.317 1.00 0.00 C flip ATOM 341 NE2 HIS A 23 -8.063 3.342 -8.516 1.00 0.00 N flip ATOM 0 H HIS A 23 -5.372 2.959 -4.760 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.660 5.528 -4.845 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.775 2.760 -4.333 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.700 4.199 -4.716 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -5.889 2.151 -6.506 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.386 4.429 -7.172 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -6.354 2.120 -9.080 1.00 0.00 H new ATOM 350 N CYS A 24 -6.819 3.668 -2.070 1.00 0.00 N ATOM 351 CA CYS A 24 -6.859 3.743 -0.617 1.00 0.00 C ATOM 352 C CYS A 24 -5.786 4.684 -0.080 1.00 0.00 C ATOM 353 O CYS A 24 -6.028 5.336 0.904 1.00 0.00 O ATOM 354 CB CYS A 24 -6.654 2.375 0.026 1.00 0.00 C ATOM 355 SG CYS A 24 -5.397 1.388 -0.766 1.00 0.00 S ATOM 0 H CYS A 24 -6.794 2.717 -2.439 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.848 4.122 -0.360 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.388 2.513 1.074 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.597 1.829 0.006 1.00 0.00 H new ATOM 360 N GLY A 25 -4.676 4.854 -0.786 1.00 0.00 N ATOM 361 CA GLY A 25 -3.686 5.841 -0.486 1.00 0.00 C ATOM 362 C GLY A 25 -4.284 7.183 -0.206 1.00 0.00 C ATOM 363 O GLY A 25 -4.269 7.547 0.951 1.00 0.00 O ATOM 0 H GLY A 25 -4.447 4.286 -1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.105 5.518 0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.993 5.923 -1.323 1.00 0.00 H new ATOM 367 N MET A 26 -4.872 7.865 -1.193 1.00 0.00 N ATOM 368 CA MET A 26 -5.519 9.152 -0.986 1.00 0.00 C ATOM 369 C MET A 26 -6.531 9.095 0.135 1.00 0.00 C ATOM 370 O MET A 26 -6.614 10.038 0.866 1.00 0.00 O ATOM 371 CB MET A 26 -6.291 9.573 -2.241 1.00 0.00 C ATOM 372 CG MET A 26 -5.560 10.683 -2.983 1.00 0.00 C ATOM 373 SD MET A 26 -4.894 10.081 -4.550 1.00 0.00 S ATOM 374 CE MET A 26 -3.562 11.280 -4.757 1.00 0.00 C ATOM 0 H MET A 26 -4.910 7.535 -2.157 1.00 0.00 H new ATOM 0 HA MET A 26 -4.724 9.858 -0.747 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.419 8.714 -2.899 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.289 9.912 -1.962 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.242 11.513 -3.168 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.750 11.068 -2.363 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.025 11.072 -5.683 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.981 12.285 -4.799 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.874 11.208 -3.915 1.00 0.00 H new ATOM 384 N TYR A 27 -7.254 8.005 0.344 1.00 0.00 N ATOM 385 CA TYR A 27 -8.171 7.843 1.467 1.00 0.00 C ATOM 386 C TYR A 27 -7.508 8.064 2.827 1.00 0.00 C ATOM 387 O TYR A 27 -8.062 8.734 3.696 1.00 0.00 O ATOM 388 CB TYR A 27 -8.709 6.420 1.374 1.00 0.00 C ATOM 389 CG TYR A 27 -10.100 6.238 1.864 1.00 0.00 C ATOM 390 CD1 TYR A 27 -11.169 6.718 1.082 1.00 0.00 C ATOM 391 CD2 TYR A 27 -10.330 5.577 3.088 1.00 0.00 C ATOM 392 CE1 TYR A 27 -12.479 6.548 1.540 1.00 0.00 C ATOM 393 CE2 TYR A 27 -11.641 5.396 3.536 1.00 0.00 C ATOM 394 CZ TYR A 27 -12.721 5.885 2.764 1.00 0.00 C ATOM 395 OH TYR A 27 -13.981 5.690 3.179 1.00 0.00 O ATOM 0 H TYR A 27 -7.221 7.193 -0.272 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.957 8.595 1.402 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.662 6.098 0.334 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.051 5.762 1.942 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -10.979 7.211 0.140 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.499 5.213 3.675 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.307 6.924 0.957 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.829 4.885 4.468 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.973 5.219 4.038 1.00 0.00 H new ATOM 405 N LEU A 28 -6.323 7.495 2.999 1.00 0.00 N ATOM 406 CA LEU A 28 -5.574 7.603 4.234 1.00 0.00 C ATOM 407 C LEU A 28 -4.670 8.828 4.188 1.00 0.00 C ATOM 408 O LEU A 28 -4.399 9.388 5.238 1.00 0.00 O ATOM 409 CB LEU A 28 -4.785 6.322 4.490 1.00 0.00 C ATOM 410 CG LEU A 28 -5.451 5.009 4.064 1.00 0.00 C ATOM 411 CD1 LEU A 28 -4.446 3.910 3.760 1.00 0.00 C ATOM 412 CD2 LEU A 28 -6.534 4.608 5.016 1.00 0.00 C ATOM 0 H LEU A 28 -5.856 6.944 2.279 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.265 7.731 5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.829 6.402 3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.567 6.263 5.556 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.948 5.188 3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.976 3.004 3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.792 4.229 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.849 3.707 4.649 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.984 3.673 4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.111 4.473 6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.297 5.386 5.048 1.00 0.00 H new ATOM 424 N MET A 29 -4.315 9.307 2.998 1.00 0.00 N ATOM 425 CA MET A 29 -3.529 10.494 2.693 1.00 0.00 C ATOM 426 C MET A 29 -4.404 11.744 2.564 1.00 0.00 C ATOM 427 O MET A 29 -3.948 12.843 2.287 1.00 0.00 O ATOM 428 CB MET A 29 -2.642 10.263 1.456 1.00 0.00 C ATOM 429 CG MET A 29 -1.201 10.684 1.726 1.00 0.00 C ATOM 430 SD MET A 29 -0.905 12.444 1.906 1.00 0.00 S ATOM 431 CE MET A 29 -0.942 12.883 0.159 1.00 0.00 C ATOM 0 H MET A 29 -4.599 8.826 2.144 1.00 0.00 H new ATOM 0 HA MET A 29 -2.864 10.679 3.536 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.670 9.210 1.176 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.037 10.828 0.611 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.864 10.186 2.635 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.579 10.314 0.911 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.006 13.369 -0.114 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.071 11.981 -0.440 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.772 13.564 -0.028 1.00 0.00 H new ATOM 441 N LYS A 30 -5.696 11.609 2.804 1.00 0.00 N ATOM 442 CA LYS A 30 -6.632 12.698 2.606 1.00 0.00 C ATOM 443 C LYS A 30 -6.608 13.536 3.861 1.00 0.00 C ATOM 444 O LYS A 30 -6.724 14.744 3.770 1.00 0.00 O ATOM 445 CB LYS A 30 -8.045 12.164 2.319 1.00 0.00 C ATOM 446 CG LYS A 30 -8.440 12.489 0.861 1.00 0.00 C ATOM 447 CD LYS A 30 -9.927 12.233 0.634 1.00 0.00 C ATOM 448 CE LYS A 30 -10.743 13.418 1.165 1.00 0.00 C ATOM 449 NZ LYS A 30 -11.784 12.956 2.113 1.00 0.00 N ATOM 0 H LYS A 30 -6.123 10.746 3.140 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.347 13.299 1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.077 11.087 2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.760 12.613 3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.208 13.531 0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.852 11.879 0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.123 12.091 -0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.229 11.316 1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.081 14.128 1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.210 13.946 0.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.325 13.774 2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.426 12.297 1.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.333 12.473 2.916 1.00 0.00 H new ATOM 463 N ASN A 31 -6.428 12.885 5.016 1.00 0.00 N ATOM 464 CA ASN A 31 -6.215 13.596 6.273 1.00 0.00 C ATOM 465 C ASN A 31 -4.728 13.894 6.540 1.00 0.00 C ATOM 466 O ASN A 31 -4.372 14.548 7.509 1.00 0.00 O ATOM 467 CB ASN A 31 -6.783 12.731 7.401 1.00 0.00 C ATOM 468 CG ASN A 31 -6.775 13.465 8.728 1.00 0.00 C ATOM 469 OD1 ASN A 31 -7.050 14.644 8.820 1.00 0.00 O ATOM 470 ND2 ASN A 31 -6.483 12.762 9.791 1.00 0.00 N ATOM 0 H ASN A 31 -6.426 11.869 5.102 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.719 14.561 6.218 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.803 12.435 7.155 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.198 11.816 7.488 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.485 13.203 10.711 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.254 11.772 9.701 1.00 0.00 H new ATOM 477 N LEU A 32 -3.846 13.330 5.723 1.00 0.00 N ATOM 478 CA LEU A 32 -2.428 13.601 5.863 1.00 0.00 C ATOM 479 C LEU A 32 -2.042 14.915 5.207 1.00 0.00 C ATOM 480 O LEU A 32 -1.041 15.488 5.616 1.00 0.00 O ATOM 481 CB LEU A 32 -1.638 12.422 5.315 1.00 0.00 C ATOM 482 CG LEU A 32 -1.810 11.174 6.174 1.00 0.00 C ATOM 483 CD1 LEU A 32 -1.238 9.976 5.437 1.00 0.00 C ATOM 484 CD2 LEU A 32 -1.086 11.359 7.499 1.00 0.00 C ATOM 0 H LEU A 32 -4.088 12.690 4.966 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.185 13.716 6.919 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.963 12.209 4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.581 12.685 5.264 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.870 11.008 6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.359 9.081 6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.765 9.844 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.179 10.141 5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.211 10.465 8.110 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.025 11.526 7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.502 12.219 8.024 1.00 0.00 H new ATOM 496 N GLY A 33 -2.892 15.426 4.306 1.00 0.00 N ATOM 497 CA GLY A 33 -2.645 16.635 3.539 1.00 0.00 C ATOM 498 C GLY A 33 -1.371 16.539 2.679 1.00 0.00 C ATOM 499 O GLY A 33 -0.490 15.706 2.863 1.00 0.00 O ATOM 0 H GLY A 33 -3.790 14.993 4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.501 16.833 2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.557 17.482 4.220 1.00 0.00 H new ATOM 503 N GLU A 34 -1.238 17.448 1.732 1.00 0.00 N ATOM 504 CA GLU A 34 -0.066 17.441 0.862 1.00 0.00 C ATOM 505 C GLU A 34 0.263 18.870 0.458 1.00 0.00 C ATOM 506 O GLU A 34 -0.335 19.459 -0.438 1.00 0.00 O ATOM 507 CB GLU A 34 -0.297 16.535 -0.350 1.00 0.00 C ATOM 508 CG GLU A 34 1.042 15.952 -0.817 1.00 0.00 C ATOM 509 CD GLU A 34 0.886 15.242 -2.172 1.00 0.00 C ATOM 510 OE1 GLU A 34 -0.080 14.463 -2.340 1.00 0.00 O ATOM 511 OE2 GLU A 34 1.741 15.491 -3.048 1.00 0.00 O ATOM 0 H GLU A 34 -1.911 18.191 1.543 1.00 0.00 H new ATOM 0 HA GLU A 34 0.790 17.032 1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.985 15.730 -0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.760 17.102 -1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.781 16.749 -0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.416 15.248 -0.074 1.00 0.00 H new ATOM 518 N ARG A 35 1.144 19.503 1.221 1.00 0.00 N ATOM 519 CA ARG A 35 1.535 20.879 0.931 1.00 0.00 C ATOM 520 C ARG A 35 2.470 20.911 -0.272 1.00 0.00 C ATOM 521 O ARG A 35 3.650 20.620 -0.116 1.00 0.00 O ATOM 522 CB ARG A 35 2.210 21.499 2.148 1.00 0.00 C ATOM 523 CG ARG A 35 1.996 23.020 2.133 1.00 0.00 C ATOM 524 CD ARG A 35 3.257 23.764 2.597 1.00 0.00 C ATOM 525 NE ARG A 35 3.036 24.434 3.887 1.00 0.00 N ATOM 526 CZ ARG A 35 2.899 23.833 5.055 1.00 0.00 C ATOM 527 NH1 ARG A 35 2.974 22.537 5.166 1.00 0.00 N ATOM 528 NH2 ARG A 35 2.663 24.521 6.133 1.00 0.00 N ATOM 0 H ARG A 35 1.598 19.093 2.037 1.00 0.00 H new ATOM 0 HA ARG A 35 0.644 21.461 0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.798 21.072 3.062 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.276 21.271 2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.730 23.342 1.126 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.159 23.278 2.782 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.085 23.061 2.687 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.545 24.500 1.847 1.00 0.00 H new ATOM 0 HE ARG A 35 2.984 25.453 3.879 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.142 21.963 4.340 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.865 22.096 6.079 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.582 25.536 6.082 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.559 24.045 7.029 1.00 0.00 H new ATOM 542 N SER A 36 1.968 21.299 -1.431 1.00 0.00 N ATOM 543 CA SER A 36 2.787 21.397 -2.638 1.00 0.00 C ATOM 544 C SER A 36 1.944 21.958 -3.761 1.00 0.00 C ATOM 545 O SER A 36 2.203 23.072 -4.209 1.00 0.00 O ATOM 546 CB SER A 36 3.341 20.017 -3.037 1.00 0.00 C ATOM 547 OG SER A 36 4.715 20.144 -3.338 1.00 0.00 O ATOM 0 H SER A 36 0.990 21.554 -1.567 1.00 0.00 H new ATOM 0 HA SER A 36 3.632 22.057 -2.442 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.198 19.304 -2.225 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.800 19.629 -3.900 1.00 0.00 H new ATOM 0 HG SER A 36 5.077 19.269 -3.592 1.00 0.00 H new ATOM 553 N GLN A 37 0.880 21.251 -4.131 1.00 0.00 N ATOM 554 CA GLN A 37 -0.042 21.678 -5.173 1.00 0.00 C ATOM 555 C GLN A 37 -1.276 20.784 -5.189 1.00 0.00 C ATOM 556 O GLN A 37 -1.346 19.772 -4.496 1.00 0.00 O ATOM 557 CB GLN A 37 0.669 21.637 -6.539 1.00 0.00 C ATOM 558 CG GLN A 37 1.034 20.202 -6.971 1.00 0.00 C ATOM 559 CD GLN A 37 2.534 19.957 -7.026 1.00 0.00 C ATOM 560 OE1 GLN A 37 3.329 20.458 -6.254 1.00 0.00 O ATOM 561 NE2 GLN A 37 2.966 19.183 -7.984 1.00 0.00 N ATOM 0 H GLN A 37 0.633 20.356 -3.709 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.363 22.699 -4.969 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.025 22.088 -7.294 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.575 22.241 -6.492 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.582 19.494 -6.276 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.604 20.004 -7.953 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.305 18.760 -8.635 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.965 19.002 -8.082 1.00 0.00 H new ATOM 570 N VAL A 38 -2.229 21.116 -6.040 1.00 0.00 N ATOM 571 CA VAL A 38 -3.443 20.328 -6.198 1.00 0.00 C ATOM 572 C VAL A 38 -4.055 20.618 -7.554 1.00 0.00 C ATOM 573 O VAL A 38 -3.877 21.698 -8.119 1.00 0.00 O ATOM 574 CB VAL A 38 -4.394 20.654 -5.036 1.00 0.00 C ATOM 575 CG1 VAL A 38 -4.971 22.070 -5.145 1.00 0.00 C ATOM 576 CG2 VAL A 38 -5.511 19.615 -4.949 1.00 0.00 C ATOM 0 H VAL A 38 -2.186 21.938 -6.642 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.229 19.260 -6.164 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.811 20.616 -4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.637 22.257 -4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.158 22.796 -5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.528 22.165 -6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.174 19.863 -4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.078 19.612 -5.880 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.078 18.628 -4.785 1.00 0.00 H new ATOM 586 N SER A 39 -4.746 19.640 -8.107 1.00 0.00 N ATOM 587 CA SER A 39 -5.431 19.816 -9.376 1.00 0.00 C ATOM 588 C SER A 39 -6.477 18.724 -9.579 1.00 0.00 C ATOM 589 O SER A 39 -6.395 17.657 -8.947 1.00 0.00 O ATOM 590 CB SER A 39 -4.397 19.780 -10.513 1.00 0.00 C ATOM 591 OG SER A 39 -4.613 20.813 -11.449 1.00 0.00 O ATOM 0 H SER A 39 -4.849 18.712 -7.697 1.00 0.00 H new ATOM 0 HA SER A 39 -5.944 20.778 -9.377 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.394 19.871 -10.096 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.445 18.815 -11.018 1.00 0.00 H new ATOM 0 HG SER A 39 -3.937 20.760 -12.156 1.00 0.00 H new ATOM 597 N PRO A 40 -7.456 18.940 -10.460 1.00 0.00 N ATOM 598 CA PRO A 40 -8.503 17.972 -10.742 1.00 0.00 C ATOM 599 C PRO A 40 -7.943 16.842 -11.595 1.00 0.00 C ATOM 600 O PRO A 40 -8.030 16.895 -12.817 1.00 0.00 O ATOM 601 CB PRO A 40 -9.611 18.750 -11.459 1.00 0.00 C ATOM 602 CG PRO A 40 -8.964 20.047 -11.965 1.00 0.00 C ATOM 603 CD PRO A 40 -7.626 20.149 -11.254 1.00 0.00 C ATOM 0 HA PRO A 40 -8.898 17.505 -9.840 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.021 18.171 -12.286 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.437 18.966 -10.781 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.831 20.021 -13.047 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -9.592 20.910 -11.742 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.816 20.250 -11.976 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.597 21.033 -10.617 1.00 0.00 H new ATOM 611 N ARG A 41 -7.384 15.820 -10.933 1.00 0.00 N ATOM 612 CA ARG A 41 -6.784 14.671 -11.602 1.00 0.00 C ATOM 613 C ARG A 41 -7.760 14.156 -12.630 1.00 0.00 C ATOM 614 O ARG A 41 -7.486 14.262 -13.812 1.00 0.00 O ATOM 615 CB ARG A 41 -6.398 13.584 -10.592 1.00 0.00 C ATOM 616 CG ARG A 41 -5.309 12.683 -11.180 1.00 0.00 C ATOM 617 CD ARG A 41 -3.939 13.359 -11.060 1.00 0.00 C ATOM 618 NE ARG A 41 -2.862 12.359 -11.130 1.00 0.00 N ATOM 619 CZ ARG A 41 -2.480 11.566 -10.141 1.00 0.00 C ATOM 620 NH1 ARG A 41 -3.067 11.600 -8.974 1.00 0.00 N ATOM 621 NH2 ARG A 41 -1.525 10.704 -10.314 1.00 0.00 N ATOM 0 H ARG A 41 -7.338 15.772 -9.915 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.862 14.971 -12.100 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.042 14.043 -9.670 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.274 12.988 -10.334 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.297 11.726 -10.658 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.528 12.472 -12.227 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.817 14.090 -11.859 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.877 13.903 -10.118 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.367 12.269 -12.017 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.838 12.248 -8.809 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.755 10.979 -8.228 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.060 10.632 -11.219 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.239 10.098 -9.545 1.00 0.00 H new ATOM 635 N MET A 42 -8.864 13.594 -12.144 1.00 0.00 N ATOM 636 CA MET A 42 -9.885 13.017 -12.994 1.00 0.00 C ATOM 637 C MET A 42 -11.217 13.066 -12.299 1.00 0.00 C ATOM 638 O MET A 42 -12.128 13.627 -12.895 1.00 0.00 O ATOM 639 CB MET A 42 -9.541 11.568 -13.338 1.00 0.00 C ATOM 640 CG MET A 42 -8.204 11.467 -14.066 1.00 0.00 C ATOM 641 SD MET A 42 -7.903 9.879 -14.839 1.00 0.00 S ATOM 642 CE MET A 42 -7.239 9.021 -13.402 1.00 0.00 C ATOM 0 H MET A 42 -9.070 13.529 -11.147 1.00 0.00 H new ATOM 0 HA MET A 42 -9.934 13.596 -13.916 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.504 10.975 -12.424 1.00 0.00 H new ATOM 0 HB3 MET A 42 -10.328 11.144 -13.961 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.160 12.244 -14.829 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.401 11.671 -13.357 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.984 7.997 -13.675 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.345 9.536 -13.052 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.986 9.009 -12.608 1.00 0.00 H new ATOM 652 N ARG A 43 -11.301 12.530 -11.073 1.00 0.00 N ATOM 653 CA ARG A 43 -12.507 12.459 -10.247 1.00 0.00 C ATOM 654 C ARG A 43 -12.291 11.585 -9.027 1.00 0.00 C ATOM 655 O ARG A 43 -11.363 10.759 -9.011 1.00 0.00 O ATOM 656 CB ARG A 43 -13.693 11.905 -11.070 1.00 0.00 C ATOM 657 CG ARG A 43 -14.764 12.990 -11.263 1.00 0.00 C ATOM 658 CD ARG A 43 -15.269 13.061 -12.715 1.00 0.00 C ATOM 659 NE ARG A 43 -14.864 14.308 -13.398 1.00 0.00 N ATOM 660 CZ ARG A 43 -15.249 15.525 -13.071 1.00 0.00 C ATOM 661 NH1 ARG A 43 -16.123 15.721 -12.124 1.00 0.00 N ATOM 662 NH2 ARG A 43 -14.763 16.569 -13.678 1.00 0.00 N ATOM 0 H ARG A 43 -10.491 12.116 -10.612 1.00 0.00 H new ATOM 0 HA ARG A 43 -12.735 13.471 -9.913 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.339 11.557 -12.041 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.126 11.044 -10.561 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -15.604 12.790 -10.598 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -14.353 13.958 -10.976 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -14.886 12.206 -13.271 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.356 12.984 -12.722 1.00 0.00 H new ATOM 0 HE ARG A 43 -14.231 14.218 -14.192 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -16.520 14.926 -11.624 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.410 16.670 -11.883 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.073 16.452 -14.420 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.073 17.504 -13.412 1.00 0.00 H new ATOM 676 N GLU A 44 -13.142 11.756 -8.038 1.00 0.00 N ATOM 677 CA GLU A 44 -13.116 10.934 -6.841 1.00 0.00 C ATOM 678 C GLU A 44 -14.473 10.927 -6.146 1.00 0.00 C ATOM 679 O GLU A 44 -15.149 11.943 -6.059 1.00 0.00 O ATOM 680 CB GLU A 44 -12.027 11.466 -5.903 1.00 0.00 C ATOM 681 CG GLU A 44 -12.295 12.909 -5.416 1.00 0.00 C ATOM 682 CD GLU A 44 -12.157 13.015 -3.894 1.00 0.00 C ATOM 683 OE1 GLU A 44 -10.983 13.079 -3.448 1.00 0.00 O ATOM 684 OE2 GLU A 44 -13.165 12.974 -3.171 1.00 0.00 O ATOM 0 H GLU A 44 -13.872 12.468 -8.038 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.892 9.904 -7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.947 10.807 -5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.067 11.435 -6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.595 13.593 -5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.297 13.216 -5.715 1.00 0.00 H new ATOM 691 N GLU A 45 -14.851 9.781 -5.603 1.00 0.00 N ATOM 692 CA GLU A 45 -16.117 9.662 -4.885 1.00 0.00 C ATOM 693 C GLU A 45 -15.937 8.788 -3.658 1.00 0.00 C ATOM 694 O GLU A 45 -16.149 9.227 -2.539 1.00 0.00 O ATOM 695 CB GLU A 45 -17.182 9.077 -5.825 1.00 0.00 C ATOM 696 CG GLU A 45 -17.915 10.195 -6.589 1.00 0.00 C ATOM 697 CD GLU A 45 -17.400 10.328 -8.051 1.00 0.00 C ATOM 698 OE1 GLU A 45 -17.954 9.605 -8.908 1.00 0.00 O ATOM 699 OE2 GLU A 45 -16.443 11.067 -8.373 1.00 0.00 O ATOM 0 H GLU A 45 -14.304 8.921 -5.643 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.446 10.647 -4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.712 8.395 -6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.900 8.494 -5.249 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.985 9.988 -6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.778 11.142 -6.067 1.00 0.00 H new ATOM 706 N ASP A 46 -15.482 7.554 -3.861 1.00 0.00 N ATOM 707 CA ASP A 46 -15.284 6.620 -2.765 1.00 0.00 C ATOM 708 C ASP A 46 -14.266 5.574 -3.181 1.00 0.00 C ATOM 709 O ASP A 46 -14.335 5.004 -4.280 1.00 0.00 O ATOM 710 CB ASP A 46 -16.602 5.910 -2.421 1.00 0.00 C ATOM 711 CG ASP A 46 -16.886 5.932 -0.920 1.00 0.00 C ATOM 712 OD1 ASP A 46 -15.884 5.789 -0.162 1.00 0.00 O ATOM 713 OD2 ASP A 46 -18.072 5.909 -0.557 1.00 0.00 O ATOM 0 H ASP A 46 -15.244 7.180 -4.780 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.933 7.172 -1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -17.423 6.391 -2.953 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.559 4.877 -2.767 1.00 0.00 H new ATOM 718 N HIS A 47 -13.289 5.301 -2.333 1.00 0.00 N ATOM 719 CA HIS A 47 -12.258 4.303 -2.608 1.00 0.00 C ATOM 720 C HIS A 47 -12.111 3.391 -1.412 1.00 0.00 C ATOM 721 O HIS A 47 -11.713 3.821 -0.345 1.00 0.00 O ATOM 722 CB HIS A 47 -10.945 5.009 -2.983 1.00 0.00 C ATOM 723 CG HIS A 47 -11.018 5.738 -4.312 1.00 0.00 C ATOM 724 ND1 HIS A 47 -11.922 5.454 -5.329 1.00 0.00 N ATOM 725 CD2 HIS A 47 -10.229 6.783 -4.732 1.00 0.00 C ATOM 726 CE1 HIS A 47 -11.745 6.356 -6.315 1.00 0.00 C ATOM 727 NE2 HIS A 47 -10.692 7.149 -5.985 1.00 0.00 N ATOM 0 H HIS A 47 -13.184 5.764 -1.430 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.542 3.681 -3.457 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -10.686 5.721 -2.199 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -10.142 4.273 -3.023 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -12.602 4.694 -5.329 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.409 7.231 -4.191 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -12.339 6.435 -7.214 1.00 0.00 H new ATOM 736 N LYS A 48 -12.392 2.108 -1.624 1.00 0.00 N ATOM 737 CA LYS A 48 -12.266 1.099 -0.575 1.00 0.00 C ATOM 738 C LYS A 48 -12.202 -0.292 -1.172 1.00 0.00 C ATOM 739 O LYS A 48 -11.235 -1.004 -0.957 1.00 0.00 O ATOM 740 CB LYS A 48 -13.463 1.215 0.382 1.00 0.00 C ATOM 741 CG LYS A 48 -12.967 1.222 1.834 1.00 0.00 C ATOM 742 CD LYS A 48 -13.942 0.482 2.758 1.00 0.00 C ATOM 743 CE LYS A 48 -14.321 1.341 3.965 1.00 0.00 C ATOM 744 NZ LYS A 48 -14.366 0.515 5.199 1.00 0.00 N ATOM 0 H LYS A 48 -12.711 1.740 -2.520 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.341 1.270 -0.025 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.020 2.128 0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.148 0.381 0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.985 0.753 1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.848 2.250 2.175 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.841 0.214 2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.489 -0.449 3.099 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.598 2.147 4.086 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.292 1.807 3.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.625 1.114 6.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -15.073 -0.239 5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.431 0.091 5.367 1.00 0.00 H new ATOM 758 N GLN A 49 -13.127 -0.593 -2.083 1.00 0.00 N ATOM 759 CA GLN A 49 -13.098 -1.855 -2.810 1.00 0.00 C ATOM 760 C GLN A 49 -12.086 -1.848 -3.948 1.00 0.00 C ATOM 761 O GLN A 49 -11.593 -2.888 -4.338 1.00 0.00 O ATOM 762 CB GLN A 49 -14.474 -2.140 -3.406 1.00 0.00 C ATOM 763 CG GLN A 49 -15.359 -2.877 -2.390 1.00 0.00 C ATOM 764 CD GLN A 49 -16.153 -4.035 -2.986 1.00 0.00 C ATOM 765 OE1 GLN A 49 -16.226 -4.271 -4.177 1.00 0.00 O ATOM 766 NE2 GLN A 49 -16.734 -4.840 -2.144 1.00 0.00 N ATOM 0 H GLN A 49 -13.903 0.020 -2.332 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.810 -2.623 -2.093 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.950 -1.205 -3.700 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.368 -2.742 -4.309 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.731 -3.257 -1.584 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -16.053 -2.165 -1.944 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.681 -4.655 -1.142 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.242 -5.656 -2.486 1.00 0.00 H new ATOM 775 N LEU A 50 -11.651 -0.677 -4.399 1.00 0.00 N ATOM 776 CA LEU A 50 -10.578 -0.558 -5.367 1.00 0.00 C ATOM 777 C LEU A 50 -9.210 -0.736 -4.726 1.00 0.00 C ATOM 778 O LEU A 50 -8.231 -0.604 -5.442 1.00 0.00 O ATOM 779 CB LEU A 50 -10.673 0.833 -6.005 1.00 0.00 C ATOM 780 CG LEU A 50 -11.690 0.864 -7.168 1.00 0.00 C ATOM 781 CD1 LEU A 50 -12.199 2.302 -7.367 1.00 0.00 C ATOM 782 CD2 LEU A 50 -11.056 0.321 -8.466 1.00 0.00 C ATOM 0 H LEU A 50 -12.037 0.218 -4.099 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.686 -1.344 -6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.965 1.561 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.691 1.132 -6.373 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.534 0.221 -6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.916 2.324 -8.187 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.683 2.647 -6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.359 2.956 -7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.791 0.353 -9.271 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.196 0.935 -8.735 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.733 -0.708 -8.310 1.00 0.00 H new ATOM 794 N CYS A 51 -9.156 -0.993 -3.418 1.00 0.00 N ATOM 795 CA CYS A 51 -7.961 -1.361 -2.696 1.00 0.00 C ATOM 796 C CYS A 51 -8.048 -2.811 -2.205 1.00 0.00 C ATOM 797 O CYS A 51 -7.163 -3.233 -1.508 1.00 0.00 O ATOM 798 CB CYS A 51 -7.786 -0.473 -1.484 1.00 0.00 C ATOM 799 SG CYS A 51 -6.124 -0.503 -0.734 1.00 0.00 S ATOM 0 H CYS A 51 -9.981 -0.946 -2.820 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.118 -1.247 -3.378 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -8.021 0.553 -1.768 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.514 -0.769 -0.728 1.00 0.00 H new ATOM 804 N CYS A 52 -9.079 -3.578 -2.577 1.00 0.00 N ATOM 805 CA CYS A 52 -9.144 -5.034 -2.380 1.00 0.00 C ATOM 806 C CYS A 52 -9.395 -5.802 -3.690 1.00 0.00 C ATOM 807 O CYS A 52 -8.894 -6.899 -3.876 1.00 0.00 O ATOM 808 CB CYS A 52 -10.266 -5.291 -1.403 1.00 0.00 C ATOM 809 SG CYS A 52 -10.284 -6.962 -0.752 1.00 0.00 S ATOM 0 H CYS A 52 -9.909 -3.198 -3.033 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.185 -5.391 -2.004 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -10.183 -4.588 -0.574 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.218 -5.092 -1.895 1.00 0.00 H new ATOM 814 N MET A 53 -10.077 -5.169 -4.647 1.00 0.00 N ATOM 815 CA MET A 53 -10.394 -5.730 -5.947 1.00 0.00 C ATOM 816 C MET A 53 -9.143 -6.235 -6.614 1.00 0.00 C ATOM 817 O MET A 53 -8.965 -7.414 -6.736 1.00 0.00 O ATOM 818 CB MET A 53 -11.024 -4.683 -6.860 1.00 0.00 C ATOM 819 CG MET A 53 -11.073 -5.198 -8.311 1.00 0.00 C ATOM 820 SD MET A 53 -12.075 -6.695 -8.480 1.00 0.00 S ATOM 821 CE MET A 53 -10.816 -7.849 -9.083 1.00 0.00 C ATOM 0 H MET A 53 -10.432 -4.220 -4.527 1.00 0.00 H new ATOM 0 HA MET A 53 -11.098 -6.546 -5.786 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.031 -4.450 -6.516 1.00 0.00 H new ATOM 0 HB3 MET A 53 -10.449 -3.758 -6.815 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.478 -4.419 -8.956 1.00 0.00 H new ATOM 0 HG3 MET A 53 -10.059 -5.402 -8.655 1.00 0.00 H new ATOM 0 HE1 MET A 53 -11.181 -8.349 -9.980 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.903 -7.301 -9.319 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.605 -8.592 -8.314 1.00 0.00 H new ATOM 831 N GLN A 54 -8.248 -5.348 -7.052 1.00 0.00 N ATOM 832 CA GLN A 54 -7.037 -5.789 -7.734 1.00 0.00 C ATOM 833 C GLN A 54 -6.153 -6.656 -6.828 1.00 0.00 C ATOM 834 O GLN A 54 -5.361 -7.432 -7.315 1.00 0.00 O ATOM 835 CB GLN A 54 -6.202 -4.580 -8.084 1.00 0.00 C ATOM 836 CG GLN A 54 -5.827 -4.475 -9.548 1.00 0.00 C ATOM 837 CD GLN A 54 -6.580 -3.328 -10.195 1.00 0.00 C ATOM 838 OE1 GLN A 54 -7.671 -3.490 -10.707 1.00 0.00 O ATOM 839 NE2 GLN A 54 -6.104 -2.112 -10.042 1.00 0.00 N ATOM 0 H GLN A 54 -8.338 -4.337 -6.948 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.353 -6.358 -8.608 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.749 -3.682 -7.797 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.289 -4.601 -7.489 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.753 -4.317 -9.646 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.060 -5.409 -10.060 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.189 -1.973 -9.613 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.650 -1.308 -10.352 1.00 0.00 H new ATOM 848 N LEU A 55 -6.284 -6.538 -5.508 1.00 0.00 N ATOM 849 CA LEU A 55 -5.661 -7.463 -4.582 1.00 0.00 C ATOM 850 C LEU A 55 -6.111 -8.926 -4.763 1.00 0.00 C ATOM 851 O LEU A 55 -5.314 -9.818 -4.525 1.00 0.00 O ATOM 852 CB LEU A 55 -5.971 -6.989 -3.171 1.00 0.00 C ATOM 853 CG LEU A 55 -4.755 -6.449 -2.412 1.00 0.00 C ATOM 854 CD1 LEU A 55 -5.157 -5.342 -1.448 1.00 0.00 C ATOM 855 CD2 LEU A 55 -4.037 -7.540 -1.664 1.00 0.00 C ATOM 0 H LEU A 55 -6.824 -5.799 -5.058 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.589 -7.464 -4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.731 -6.209 -3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.400 -7.817 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.073 -6.038 -3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.274 -4.978 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.612 -4.523 -2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.874 -5.732 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.181 -7.118 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.717 -7.995 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.693 -8.298 -2.368 1.00 0.00 H new ATOM 867 N LYS A 56 -7.316 -9.158 -5.281 1.00 0.00 N ATOM 868 CA LYS A 56 -7.803 -10.458 -5.756 1.00 0.00 C ATOM 869 C LYS A 56 -7.226 -10.881 -7.130 1.00 0.00 C ATOM 870 O LYS A 56 -7.483 -11.977 -7.620 1.00 0.00 O ATOM 871 CB LYS A 56 -9.346 -10.415 -5.756 1.00 0.00 C ATOM 872 CG LYS A 56 -9.930 -11.782 -6.134 1.00 0.00 C ATOM 873 CD LYS A 56 -11.017 -12.223 -5.170 1.00 0.00 C ATOM 874 CE LYS A 56 -11.236 -13.734 -5.307 1.00 0.00 C ATOM 875 NZ LYS A 56 -12.274 -14.018 -6.323 1.00 0.00 N ATOM 0 H LYS A 56 -8.010 -8.418 -5.387 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.447 -11.232 -5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.706 -10.121 -4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.693 -9.659 -6.460 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.338 -11.735 -7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.133 -12.526 -6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.733 -11.977 -4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.944 -11.689 -5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.301 -14.219 -5.588 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.535 -14.153 -4.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.410 -15.046 -6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.169 -13.572 -6.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.974 -13.636 -7.242 1.00 0.00 H new ATOM 889 N ASN A 57 -6.518 -9.993 -7.797 1.00 0.00 N ATOM 890 CA ASN A 57 -5.782 -10.286 -9.016 1.00 0.00 C ATOM 891 C ASN A 57 -4.306 -10.587 -8.746 1.00 0.00 C ATOM 892 O ASN A 57 -3.660 -11.166 -9.604 1.00 0.00 O ATOM 893 CB ASN A 57 -5.870 -9.067 -9.952 1.00 0.00 C ATOM 894 CG ASN A 57 -6.777 -9.304 -11.129 1.00 0.00 C ATOM 895 OD1 ASN A 57 -6.900 -10.375 -11.683 1.00 0.00 O ATOM 896 ND2 ASN A 57 -7.518 -8.293 -11.503 1.00 0.00 N ATOM 0 H ASN A 57 -6.434 -9.021 -7.501 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.228 -11.172 -9.468 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.230 -8.206 -9.388 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.872 -8.817 -10.312 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.195 -8.408 -12.257 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.419 -7.389 -11.040 1.00 0.00 H new ATOM 903 N LEU A 58 -3.754 -10.083 -7.641 1.00 0.00 N ATOM 904 CA LEU A 58 -2.381 -10.363 -7.254 1.00 0.00 C ATOM 905 C LEU A 58 -2.237 -11.813 -6.773 1.00 0.00 C ATOM 906 O LEU A 58 -3.165 -12.614 -6.812 1.00 0.00 O ATOM 907 CB LEU A 58 -1.951 -9.328 -6.194 1.00 0.00 C ATOM 908 CG LEU A 58 -1.316 -8.080 -6.831 1.00 0.00 C ATOM 909 CD1 LEU A 58 -1.488 -6.887 -5.892 1.00 0.00 C ATOM 910 CD2 LEU A 58 0.177 -8.332 -7.082 1.00 0.00 C ATOM 0 H LEU A 58 -4.250 -9.471 -6.994 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.714 -10.268 -8.111 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.818 -9.032 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.239 -9.787 -5.507 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.807 -7.866 -7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.038 -6.002 -6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.550 -6.708 -5.722 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.999 -7.099 -4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.625 -7.447 -7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.674 -8.548 -6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.295 -9.181 -7.755 1.00 0.00 H new ATOM 922 N ASP A 59 -1.045 -12.148 -6.309 1.00 0.00 N ATOM 923 CA ASP A 59 -0.795 -13.468 -5.754 1.00 0.00 C ATOM 924 C ASP A 59 -1.096 -13.522 -4.262 1.00 0.00 C ATOM 925 O ASP A 59 -0.897 -12.542 -3.546 1.00 0.00 O ATOM 926 CB ASP A 59 0.689 -13.800 -5.973 1.00 0.00 C ATOM 927 CG ASP A 59 0.947 -14.828 -7.075 1.00 0.00 C ATOM 928 OD1 ASP A 59 0.002 -15.427 -7.599 1.00 0.00 O ATOM 929 OD2 ASP A 59 2.165 -15.120 -7.234 1.00 0.00 O ATOM 0 H ASP A 59 -0.237 -11.526 -6.305 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.447 -14.186 -6.252 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.223 -12.881 -6.217 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.108 -14.173 -5.038 1.00 0.00 H new ATOM 934 N GLU A 60 -1.294 -14.728 -3.738 1.00 0.00 N ATOM 935 CA GLU A 60 -1.578 -14.915 -2.310 1.00 0.00 C ATOM 936 C GLU A 60 -0.323 -14.731 -1.465 1.00 0.00 C ATOM 937 O GLU A 60 -0.324 -14.122 -0.402 1.00 0.00 O ATOM 938 CB GLU A 60 -2.137 -16.320 -2.075 1.00 0.00 C ATOM 939 CG GLU A 60 -3.112 -16.313 -0.891 1.00 0.00 C ATOM 940 CD GLU A 60 -4.130 -17.455 -1.010 1.00 0.00 C ATOM 941 OE1 GLU A 60 -4.898 -17.460 -1.998 1.00 0.00 O ATOM 942 OE2 GLU A 60 -4.121 -18.324 -0.114 1.00 0.00 O ATOM 0 H GLU A 60 -1.264 -15.593 -4.277 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.309 -14.163 -2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.646 -16.671 -2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.321 -17.016 -1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.557 -16.411 0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.635 -15.357 -0.852 1.00 0.00 H new ATOM 949 N LYS A 61 0.808 -15.176 -2.010 1.00 0.00 N ATOM 950 CA LYS A 61 2.088 -14.931 -1.378 1.00 0.00 C ATOM 951 C LYS A 61 2.569 -13.520 -1.614 1.00 0.00 C ATOM 952 O LYS A 61 3.534 -13.174 -0.971 1.00 0.00 O ATOM 953 CB LYS A 61 3.117 -15.934 -1.889 1.00 0.00 C ATOM 954 CG LYS A 61 3.501 -15.693 -3.363 1.00 0.00 C ATOM 955 CD LYS A 61 3.564 -17.003 -4.166 1.00 0.00 C ATOM 956 CE LYS A 61 4.982 -17.252 -4.681 1.00 0.00 C ATOM 957 NZ LYS A 61 5.672 -18.265 -3.844 1.00 0.00 N ATOM 0 H LYS A 61 0.857 -15.704 -2.882 1.00 0.00 H new ATOM 0 HA LYS A 61 1.961 -15.056 -0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.013 -15.877 -1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.719 -16.943 -1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.775 -15.022 -3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.469 -15.194 -3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.248 -17.836 -3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.870 -16.955 -5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.944 -17.592 -5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.547 -16.320 -4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.633 -18.421 -4.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.725 -17.926 -2.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.142 -19.159 -3.873 1.00 0.00 H new ATOM 971 N CYS A 62 1.983 -12.751 -2.531 1.00 0.00 N ATOM 972 CA CYS A 62 2.245 -11.330 -2.707 1.00 0.00 C ATOM 973 C CYS A 62 1.225 -10.482 -1.926 1.00 0.00 C ATOM 974 O CYS A 62 1.401 -9.290 -1.723 1.00 0.00 O ATOM 975 CB CYS A 62 2.206 -11.029 -4.195 1.00 0.00 C ATOM 976 SG CYS A 62 3.588 -11.755 -5.113 1.00 0.00 S ATOM 0 H CYS A 62 1.293 -13.114 -3.189 1.00 0.00 H new ATOM 0 HA CYS A 62 3.227 -11.073 -2.309 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.269 -11.402 -4.609 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.211 -9.949 -4.340 1.00 0.00 H new ATOM 981 N MET A 63 0.235 -11.080 -1.307 1.00 0.00 N ATOM 982 CA MET A 63 -0.754 -10.349 -0.537 1.00 0.00 C ATOM 983 C MET A 63 -0.298 -10.189 0.905 1.00 0.00 C ATOM 984 O MET A 63 -0.866 -10.725 1.824 1.00 0.00 O ATOM 985 CB MET A 63 -2.055 -11.121 -0.644 1.00 0.00 C ATOM 986 CG MET A 63 -2.889 -10.702 -1.835 1.00 0.00 C ATOM 987 SD MET A 63 -3.845 -12.011 -2.595 1.00 0.00 S ATOM 988 CE MET A 63 -4.516 -12.803 -1.109 1.00 0.00 C ATOM 0 H MET A 63 0.089 -12.089 -1.321 1.00 0.00 H new ATOM 0 HA MET A 63 -0.892 -9.339 -0.923 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.835 -12.186 -0.717 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.634 -10.977 0.268 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.571 -9.912 -1.521 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.228 -10.272 -2.588 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.099 -13.679 -1.395 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.697 -13.109 -0.458 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.157 -12.098 -0.579 1.00 0.00 H new ATOM 998 N CYS A 64 0.759 -9.439 1.146 1.00 0.00 N ATOM 999 CA CYS A 64 1.367 -9.292 2.473 1.00 0.00 C ATOM 1000 C CYS A 64 2.738 -8.685 2.304 1.00 0.00 C ATOM 1001 O CYS A 64 2.969 -7.585 2.802 1.00 0.00 O ATOM 1002 CB CYS A 64 1.461 -10.610 3.294 1.00 0.00 C ATOM 1003 SG CYS A 64 2.927 -10.812 4.387 1.00 0.00 S ATOM 0 H CYS A 64 1.234 -8.902 0.420 1.00 0.00 H new ATOM 0 HA CYS A 64 0.709 -8.645 3.053 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.566 -10.689 3.911 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.442 -11.446 2.595 1.00 0.00 H new ATOM 1008 N PRO A 65 3.631 -9.361 1.564 1.00 0.00 N ATOM 1009 CA PRO A 65 4.982 -8.882 1.366 1.00 0.00 C ATOM 1010 C PRO A 65 4.989 -7.763 0.337 1.00 0.00 C ATOM 1011 O PRO A 65 5.778 -6.840 0.436 1.00 0.00 O ATOM 1012 CB PRO A 65 5.786 -10.075 0.852 1.00 0.00 C ATOM 1013 CG PRO A 65 4.766 -11.083 0.365 1.00 0.00 C ATOM 1014 CD PRO A 65 3.422 -10.635 0.887 1.00 0.00 C ATOM 0 HA PRO A 65 5.406 -8.486 2.289 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.456 -9.776 0.046 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.407 -10.498 1.642 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.761 -11.131 -0.724 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.007 -12.082 0.727 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.708 -10.525 0.071 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.009 -11.374 1.574 1.00 0.00 H new ATOM 1022 N ALA A 66 4.096 -7.822 -0.650 1.00 0.00 N ATOM 1023 CA ALA A 66 3.976 -6.790 -1.642 1.00 0.00 C ATOM 1024 C ALA A 66 3.431 -5.537 -0.995 1.00 0.00 C ATOM 1025 O ALA A 66 4.087 -4.532 -1.130 1.00 0.00 O ATOM 1026 CB ALA A 66 3.086 -7.276 -2.760 1.00 0.00 C ATOM 0 H ALA A 66 3.441 -8.594 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 66 4.951 -6.552 -2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.992 -6.496 -3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.522 -8.167 -3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.100 -7.516 -2.362 1.00 0.00 H new ATOM 1032 N ILE A 67 2.344 -5.613 -0.219 1.00 0.00 N ATOM 1033 CA ILE A 67 1.745 -4.450 0.461 1.00 0.00 C ATOM 1034 C ILE A 67 2.812 -3.509 1.066 1.00 0.00 C ATOM 1035 O ILE A 67 2.702 -2.291 1.019 1.00 0.00 O ATOM 1036 CB ILE A 67 0.831 -4.954 1.586 1.00 0.00 C ATOM 1037 CG1 ILE A 67 -0.331 -5.783 0.979 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.387 -3.762 2.462 1.00 0.00 C ATOM 1039 CD1 ILE A 67 -1.685 -5.132 1.160 1.00 0.00 C ATOM 0 H ILE A 67 1.849 -6.487 -0.042 1.00 0.00 H new ATOM 0 HA ILE A 67 1.185 -3.881 -0.281 1.00 0.00 H new ATOM 0 HB ILE A 67 1.360 -5.633 2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.146 -5.932 -0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.345 -6.770 1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.262 -4.120 3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.265 -3.282 2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.155 -3.042 1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.454 -5.762 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.890 -5.008 2.223 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.688 -4.157 0.674 1.00 0.00 H new ATOM 1051 N MET A 68 3.892 -4.089 1.585 1.00 0.00 N ATOM 1052 CA MET A 68 5.074 -3.337 1.948 1.00 0.00 C ATOM 1053 C MET A 68 5.600 -2.447 0.838 1.00 0.00 C ATOM 1054 O MET A 68 5.398 -1.242 0.949 1.00 0.00 O ATOM 1055 CB MET A 68 6.164 -4.286 2.422 1.00 0.00 C ATOM 1056 CG MET A 68 6.635 -3.883 3.806 1.00 0.00 C ATOM 1057 SD MET A 68 8.086 -4.834 4.288 1.00 0.00 S ATOM 1058 CE MET A 68 7.288 -6.444 4.557 1.00 0.00 C ATOM 0 H MET A 68 3.965 -5.091 1.762 1.00 0.00 H new ATOM 0 HA MET A 68 4.777 -2.667 2.755 1.00 0.00 H new ATOM 0 HB2 MET A 68 5.785 -5.308 2.441 1.00 0.00 H new ATOM 0 HB3 MET A 68 7.001 -4.269 1.724 1.00 0.00 H new ATOM 0 HG2 MET A 68 6.871 -2.819 3.820 1.00 0.00 H new ATOM 0 HG3 MET A 68 5.834 -4.041 4.528 1.00 0.00 H new ATOM 0 HE1 MET A 68 7.969 -7.102 5.096 1.00 0.00 H new ATOM 0 HE2 MET A 68 6.378 -6.306 5.141 1.00 0.00 H new ATOM 0 HE3 MET A 68 7.037 -6.891 3.595 1.00 0.00 H new ATOM 1068 N MET A 69 6.189 -3.042 -0.210 1.00 0.00 N ATOM 1069 CA MET A 69 6.703 -2.362 -1.380 1.00 0.00 C ATOM 1070 C MET A 69 5.710 -1.395 -2.001 1.00 0.00 C ATOM 1071 O MET A 69 6.089 -0.373 -2.558 1.00 0.00 O ATOM 1072 CB MET A 69 7.143 -3.380 -2.419 1.00 0.00 C ATOM 1073 CG MET A 69 8.451 -4.056 -2.042 1.00 0.00 C ATOM 1074 SD MET A 69 9.820 -2.874 -1.910 1.00 0.00 S ATOM 1075 CE MET A 69 10.791 -3.708 -0.646 1.00 0.00 C ATOM 0 H MET A 69 6.319 -4.053 -0.255 1.00 0.00 H new ATOM 0 HA MET A 69 7.553 -1.768 -1.044 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.366 -4.136 -2.537 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.256 -2.886 -3.384 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.329 -4.575 -1.092 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.696 -4.811 -2.789 1.00 0.00 H new ATOM 0 HE1 MET A 69 11.685 -3.123 -0.429 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.196 -3.811 0.261 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.082 -4.696 -1.003 1.00 0.00 H new ATOM 1085 N MET A 70 4.432 -1.678 -1.827 1.00 0.00 N ATOM 1086 CA MET A 70 3.381 -0.807 -2.312 1.00 0.00 C ATOM 1087 C MET A 70 3.485 0.563 -1.658 1.00 0.00 C ATOM 1088 O MET A 70 3.213 1.578 -2.270 1.00 0.00 O ATOM 1089 CB MET A 70 2.026 -1.457 -2.013 1.00 0.00 C ATOM 1090 CG MET A 70 0.963 -0.557 -1.370 1.00 0.00 C ATOM 1091 SD MET A 70 -0.021 -1.354 -0.093 1.00 0.00 S ATOM 1092 CE MET A 70 -1.011 0.033 0.452 1.00 0.00 C ATOM 0 H MET A 70 4.096 -2.514 -1.348 1.00 0.00 H new ATOM 0 HA MET A 70 3.482 -0.667 -3.388 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.622 -1.849 -2.946 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.194 -2.310 -1.355 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.456 0.314 -0.939 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.295 -0.192 -2.150 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.725 0.308 1.467 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.847 0.881 -0.213 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.065 -0.243 0.434 1.00 0.00 H new ATOM 1102 N LEU A 71 3.753 0.577 -0.356 1.00 0.00 N ATOM 1103 CA LEU A 71 3.826 1.802 0.411 1.00 0.00 C ATOM 1104 C LEU A 71 5.301 2.124 0.596 1.00 0.00 C ATOM 1105 O LEU A 71 5.682 2.706 1.604 1.00 0.00 O ATOM 1106 CB LEU A 71 3.104 1.676 1.750 1.00 0.00 C ATOM 1107 CG LEU A 71 1.637 1.288 1.656 1.00 0.00 C ATOM 1108 CD1 LEU A 71 1.003 1.073 3.027 1.00 0.00 C ATOM 1109 CD2 LEU A 71 0.848 2.349 0.866 1.00 0.00 C ATOM 0 H LEU A 71 3.925 -0.266 0.192 1.00 0.00 H new ATOM 0 HA LEU A 71 3.323 2.611 -0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.622 0.933 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.180 2.627 2.277 1.00 0.00 H new ATOM 0 HG LEU A 71 1.593 0.337 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.045 0.798 2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.529 0.274 3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.071 1.993 3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.200 2.055 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.928 3.312 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.257 2.432 -0.141 1.00 0.00 H new ATOM 1121 N ASN A 72 6.144 1.709 -0.334 1.00 0.00 N ATOM 1122 CA ASN A 72 7.543 2.080 -0.378 1.00 0.00 C ATOM 1123 C ASN A 72 7.892 2.874 -1.615 1.00 0.00 C ATOM 1124 O ASN A 72 9.032 3.316 -1.722 1.00 0.00 O ATOM 1125 CB ASN A 72 8.367 0.799 -0.347 1.00 0.00 C ATOM 1126 CG ASN A 72 8.344 0.120 1.008 1.00 0.00 C ATOM 1127 OD1 ASN A 72 8.254 -1.070 1.207 1.00 0.00 O ATOM 1128 ND2 ASN A 72 8.630 0.857 2.038 1.00 0.00 N ATOM 0 H ASN A 72 5.866 1.091 -1.096 1.00 0.00 H new ATOM 0 HA ASN A 72 7.760 2.718 0.479 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.987 0.109 -1.101 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.398 1.029 -0.616 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.765 0.425 2.952 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.719 1.868 1.933 1.00 0.00 H new ATOM 1135 N GLU A 73 6.928 3.009 -2.525 1.00 0.00 N ATOM 1136 CA GLU A 73 7.119 3.721 -3.767 1.00 0.00 C ATOM 1137 C GLU A 73 7.466 5.192 -3.519 1.00 0.00 C ATOM 1138 O GLU A 73 7.448 5.644 -2.368 1.00 0.00 O ATOM 1139 CB GLU A 73 5.847 3.575 -4.631 1.00 0.00 C ATOM 1140 CG GLU A 73 6.185 2.831 -5.947 1.00 0.00 C ATOM 1141 CD GLU A 73 5.411 3.392 -7.143 1.00 0.00 C ATOM 1142 OE1 GLU A 73 4.315 3.920 -6.889 1.00 0.00 O ATOM 1143 OE2 GLU A 73 6.065 3.568 -8.205 1.00 0.00 O ATOM 0 H GLU A 73 5.991 2.622 -2.411 1.00 0.00 H new ATOM 0 HA GLU A 73 7.964 3.289 -4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.083 3.027 -4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.434 4.559 -4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.255 2.907 -6.141 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.956 1.771 -5.833 1.00 0.00 H new ATOM 1150 N PRO A 74 7.728 6.005 -4.542 1.00 0.00 N ATOM 1151 CA PRO A 74 7.986 7.430 -4.400 1.00 0.00 C ATOM 1152 C PRO A 74 6.734 8.232 -4.020 1.00 0.00 C ATOM 1153 O PRO A 74 6.553 9.386 -4.404 1.00 0.00 O ATOM 1154 CB PRO A 74 8.572 7.848 -5.748 1.00 0.00 C ATOM 1155 CG PRO A 74 8.155 6.788 -6.766 1.00 0.00 C ATOM 1156 CD PRO A 74 7.677 5.630 -5.942 1.00 0.00 C ATOM 0 HA PRO A 74 8.671 7.636 -3.577 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.202 8.830 -6.041 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.658 7.921 -5.690 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.367 7.158 -7.422 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.992 6.501 -7.403 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.659 5.360 -6.224 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.301 4.755 -6.122 1.00 0.00 H new ATOM 1164 N MET A 75 5.872 7.653 -3.214 1.00 0.00 N ATOM 1165 CA MET A 75 4.666 8.282 -2.754 1.00 0.00 C ATOM 1166 C MET A 75 4.257 7.713 -1.423 1.00 0.00 C ATOM 1167 O MET A 75 3.106 7.863 -1.089 1.00 0.00 O ATOM 1168 CB MET A 75 3.567 8.043 -3.798 1.00 0.00 C ATOM 1169 CG MET A 75 2.825 9.347 -4.072 1.00 0.00 C ATOM 1170 SD MET A 75 1.313 9.091 -5.031 1.00 0.00 S ATOM 1171 CE MET A 75 1.957 9.531 -6.662 1.00 0.00 C ATOM 0 H MET A 75 5.999 6.707 -2.854 1.00 0.00 H new ATOM 0 HA MET A 75 4.829 9.352 -2.626 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.005 7.662 -4.721 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.870 7.285 -3.440 1.00 0.00 H new ATOM 0 HG2 MET A 75 2.575 9.825 -3.125 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.482 10.030 -4.610 1.00 0.00 H new ATOM 0 HE1 MET A 75 1.164 9.436 -7.404 1.00 0.00 H new ATOM 0 HE2 MET A 75 2.317 10.560 -6.646 1.00 0.00 H new ATOM 0 HE3 MET A 75 2.779 8.863 -6.921 1.00 0.00 H new ATOM 1181 N TRP A 76 5.128 7.028 -0.684 1.00 0.00 N ATOM 1182 CA TRP A 76 4.814 6.448 0.613 1.00 0.00 C ATOM 1183 C TRP A 76 6.098 6.319 1.441 1.00 0.00 C ATOM 1184 O TRP A 76 6.808 5.326 1.416 1.00 0.00 O ATOM 1185 CB TRP A 76 4.116 5.113 0.400 1.00 0.00 C ATOM 1186 CG TRP A 76 2.864 5.103 -0.406 1.00 0.00 C ATOM 1187 CD1 TRP A 76 2.710 4.586 -1.642 1.00 0.00 C ATOM 1188 CD2 TRP A 76 1.628 5.778 -0.091 1.00 0.00 C ATOM 1189 NE1 TRP A 76 1.449 4.891 -2.084 1.00 0.00 N ATOM 1190 CE2 TRP A 76 0.742 5.647 -1.188 1.00 0.00 C ATOM 1191 CE3 TRP A 76 1.224 6.615 0.957 1.00 0.00 C ATOM 1192 CZ2 TRP A 76 -0.522 6.225 -1.194 1.00 0.00 C ATOM 1193 CZ3 TRP A 76 -0.032 7.209 0.990 1.00 0.00 C ATOM 1194 CH2 TRP A 76 -0.897 7.000 -0.083 1.00 0.00 C ATOM 0 H TRP A 76 6.090 6.859 -0.979 1.00 0.00 H new ATOM 0 HA TRP A 76 4.135 7.091 1.174 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.826 4.437 -0.076 1.00 0.00 H new ATOM 0 HB3 TRP A 76 3.886 4.695 1.380 1.00 0.00 H new ATOM 0 HD1 TRP A 76 3.454 4.027 -2.190 1.00 0.00 H new ATOM 0 HE1 TRP A 76 1.077 4.587 -2.984 1.00 0.00 H new ATOM 0 HE3 TRP A 76 1.912 6.805 1.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -1.195 6.083 -2.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -0.331 7.819 1.829 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.881 7.445 -0.060 1.00 0.00 H new ATOM 1205 N ILE A 77 6.443 7.380 2.170 1.00 0.00 N ATOM 1206 CA ILE A 77 7.701 7.445 2.912 1.00 0.00 C ATOM 1207 C ILE A 77 7.402 7.942 4.299 1.00 0.00 C ATOM 1208 O ILE A 77 7.242 7.113 5.184 1.00 0.00 O ATOM 1209 CB ILE A 77 8.777 8.275 2.195 1.00 0.00 C ATOM 1210 CG1 ILE A 77 9.265 7.594 0.906 1.00 0.00 C ATOM 1211 CG2 ILE A 77 9.969 8.562 3.136 1.00 0.00 C ATOM 1212 CD1 ILE A 77 8.221 7.679 -0.208 1.00 0.00 C ATOM 0 H ILE A 77 5.862 8.213 2.262 1.00 0.00 H new ATOM 0 HA ILE A 77 8.135 6.447 2.974 1.00 0.00 H new ATOM 0 HB ILE A 77 8.316 9.222 1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.191 8.064 0.574 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.494 6.548 1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.718 9.151 2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.620 9.118 4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.411 7.620 3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.603 7.187 -1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.304 7.186 0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.011 8.725 -0.431 1.00 0.00 H new ATOM 1224 N ARG A 78 7.298 9.257 4.466 1.00 0.00 N ATOM 1225 CA ARG A 78 6.950 9.880 5.749 1.00 0.00 C ATOM 1226 C ARG A 78 5.490 10.249 5.855 1.00 0.00 C ATOM 1227 O ARG A 78 5.082 10.960 6.752 1.00 0.00 O ATOM 1228 CB ARG A 78 7.865 11.087 5.978 1.00 0.00 C ATOM 1229 CG ARG A 78 9.089 10.686 6.817 1.00 0.00 C ATOM 1230 CD ARG A 78 10.386 11.060 6.101 1.00 0.00 C ATOM 1231 NE ARG A 78 11.341 11.692 7.017 1.00 0.00 N ATOM 1232 CZ ARG A 78 12.536 12.140 6.695 1.00 0.00 C ATOM 1233 NH1 ARG A 78 12.987 12.033 5.476 1.00 0.00 N ATOM 1234 NH2 ARG A 78 13.299 12.695 7.589 1.00 0.00 N ATOM 0 H ARG A 78 7.453 9.928 3.714 1.00 0.00 H new ATOM 0 HA ARG A 78 7.110 9.146 6.539 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.191 11.490 5.019 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.313 11.878 6.485 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.048 11.181 7.787 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.070 9.613 7.006 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.834 10.166 5.666 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.166 11.739 5.277 1.00 0.00 H new ATOM 0 HE ARG A 78 11.054 11.793 7.990 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.411 11.597 4.756 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.915 12.385 5.243 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.973 12.787 8.551 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.223 13.039 7.328 1.00 0.00 H new ATOM 1248 N MET A 79 4.716 9.839 4.881 1.00 0.00 N ATOM 1249 CA MET A 79 3.342 10.245 4.702 1.00 0.00 C ATOM 1250 C MET A 79 2.523 8.986 4.749 1.00 0.00 C ATOM 1251 O MET A 79 1.342 9.023 4.942 1.00 0.00 O ATOM 1252 CB MET A 79 3.112 10.956 3.364 1.00 0.00 C ATOM 1253 CG MET A 79 4.339 11.082 2.426 1.00 0.00 C ATOM 1254 SD MET A 79 4.437 9.745 1.253 1.00 0.00 S ATOM 1255 CE MET A 79 2.797 10.010 0.493 1.00 0.00 C ATOM 0 H MET A 79 5.037 9.189 4.164 1.00 0.00 H new ATOM 0 HA MET A 79 3.064 10.955 5.480 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.326 10.426 2.827 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.737 11.958 3.571 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.287 12.029 1.889 1.00 0.00 H new ATOM 0 HG3 MET A 79 5.250 11.104 3.024 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.120 9.213 0.802 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.397 10.971 0.816 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.894 10.004 -0.593 1.00 0.00 H new ATOM 1265 N ARG A 80 3.147 7.828 4.581 1.00 0.00 N ATOM 1266 CA ARG A 80 2.484 6.585 4.779 1.00 0.00 C ATOM 1267 C ARG A 80 2.416 6.170 6.208 1.00 0.00 C ATOM 1268 O ARG A 80 1.654 5.285 6.445 1.00 0.00 O ATOM 1269 CB ARG A 80 3.182 5.449 4.075 1.00 0.00 C ATOM 1270 CG ARG A 80 4.669 5.519 4.344 1.00 0.00 C ATOM 1271 CD ARG A 80 5.329 4.169 4.363 1.00 0.00 C ATOM 1272 NE ARG A 80 6.791 4.280 4.335 1.00 0.00 N ATOM 1273 CZ ARG A 80 7.631 3.271 4.366 1.00 0.00 C ATOM 1274 NH1 ARG A 80 7.203 2.052 4.492 1.00 0.00 N ATOM 1275 NH2 ARG A 80 8.917 3.469 4.309 1.00 0.00 N ATOM 0 H ARG A 80 4.125 7.744 4.304 1.00 0.00 H new ATOM 0 HA ARG A 80 1.486 6.764 4.380 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.785 4.495 4.421 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.994 5.502 3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.142 6.137 3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.836 6.012 5.302 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.022 3.626 5.257 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.992 3.587 3.505 1.00 0.00 H new ATOM 0 HE ARG A 80 7.188 5.218 4.288 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.203 1.868 4.568 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.867 1.278 4.515 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.284 4.418 4.239 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.557 2.675 4.334 1.00 0.00 H new ATOM 1289 N ASP A 81 3.171 6.756 7.135 1.00 0.00 N ATOM 1290 CA ASP A 81 3.103 6.430 8.568 1.00 0.00 C ATOM 1291 C ASP A 81 1.662 6.334 9.097 1.00 0.00 C ATOM 1292 O ASP A 81 1.313 5.464 9.882 1.00 0.00 O ATOM 1293 CB ASP A 81 3.791 7.560 9.343 1.00 0.00 C ATOM 1294 CG ASP A 81 4.690 7.059 10.473 1.00 0.00 C ATOM 1295 OD1 ASP A 81 4.795 5.828 10.658 1.00 0.00 O ATOM 1296 OD2 ASP A 81 5.368 7.941 11.042 1.00 0.00 O ATOM 0 H ASP A 81 3.856 7.479 6.916 1.00 0.00 H new ATOM 0 HA ASP A 81 3.581 5.460 8.703 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.387 8.155 8.651 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.031 8.221 9.759 1.00 0.00 H new ATOM 1301 N GLN A 82 0.775 7.137 8.508 1.00 0.00 N ATOM 1302 CA GLN A 82 -0.652 7.033 8.753 1.00 0.00 C ATOM 1303 C GLN A 82 -1.394 6.038 7.871 1.00 0.00 C ATOM 1304 O GLN A 82 -2.161 5.219 8.365 1.00 0.00 O ATOM 1305 CB GLN A 82 -1.271 8.387 8.544 1.00 0.00 C ATOM 1306 CG GLN A 82 -2.228 8.716 9.676 1.00 0.00 C ATOM 1307 CD GLN A 82 -1.453 9.185 10.893 1.00 0.00 C ATOM 1308 OE1 GLN A 82 -1.147 8.426 11.786 1.00 0.00 O ATOM 1309 NE2 GLN A 82 -1.131 10.457 10.957 1.00 0.00 N ATOM 0 H GLN A 82 1.031 7.874 7.851 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.749 6.666 9.775 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -0.490 9.145 8.488 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.803 8.407 7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.926 9.491 9.359 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.821 7.837 9.929 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.393 11.088 10.200 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.619 10.813 11.764 1.00 0.00 H new ATOM 1318 N VAL A 83 -1.116 6.040 6.577 1.00 0.00 N ATOM 1319 CA VAL A 83 -1.637 5.050 5.647 1.00 0.00 C ATOM 1320 C VAL A 83 -1.139 3.640 5.948 1.00 0.00 C ATOM 1321 O VAL A 83 -1.611 2.699 5.344 1.00 0.00 O ATOM 1322 CB VAL A 83 -1.363 5.468 4.190 1.00 0.00 C ATOM 1323 CG1 VAL A 83 -1.464 6.987 4.044 1.00 0.00 C ATOM 1324 CG2 VAL A 83 -0.058 4.933 3.648 1.00 0.00 C ATOM 0 H VAL A 83 -0.515 6.737 6.137 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.718 5.016 5.784 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.137 5.008 3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.268 7.267 3.009 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.465 7.314 4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.731 7.465 4.694 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.072 5.265 2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.768 5.304 4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.071 3.844 3.679 1.00 0.00 H new ATOM 1334 N MET A 84 -0.218 3.469 6.876 1.00 0.00 N ATOM 1335 CA MET A 84 0.464 2.241 7.217 1.00 0.00 C ATOM 1336 C MET A 84 -0.375 1.551 8.252 1.00 0.00 C ATOM 1337 O MET A 84 -0.756 0.412 8.053 1.00 0.00 O ATOM 1338 CB MET A 84 1.849 2.527 7.828 1.00 0.00 C ATOM 1339 CG MET A 84 2.932 2.135 6.836 1.00 0.00 C ATOM 1340 SD MET A 84 2.809 0.378 6.398 1.00 0.00 S ATOM 1341 CE MET A 84 3.555 0.447 4.768 1.00 0.00 C ATOM 0 H MET A 84 0.096 4.248 7.455 1.00 0.00 H new ATOM 0 HA MET A 84 0.603 1.635 6.322 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.936 3.584 8.079 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.971 1.968 8.756 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.844 2.745 5.937 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.913 2.339 7.264 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.151 -0.354 4.149 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.333 1.409 4.307 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.635 0.328 4.857 1.00 0.00 H new ATOM 1351 N SER A 85 -0.797 2.278 9.291 1.00 0.00 N ATOM 1352 CA SER A 85 -1.702 1.734 10.292 1.00 0.00 C ATOM 1353 C SER A 85 -3.133 1.629 9.764 1.00 0.00 C ATOM 1354 O SER A 85 -4.043 1.287 10.507 1.00 0.00 O ATOM 1355 CB SER A 85 -1.716 2.622 11.532 1.00 0.00 C ATOM 1356 OG SER A 85 -1.565 1.839 12.695 1.00 0.00 O ATOM 0 H SER A 85 -0.522 3.246 9.456 1.00 0.00 H new ATOM 0 HA SER A 85 -1.339 0.737 10.540 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.912 3.355 11.472 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.652 3.179 11.579 1.00 0.00 H new ATOM 0 HG SER A 85 -1.574 2.420 13.484 1.00 0.00 H new ATOM 1362 N MET A 86 -3.353 1.885 8.485 1.00 0.00 N ATOM 1363 CA MET A 86 -4.659 1.795 7.863 1.00 0.00 C ATOM 1364 C MET A 86 -4.637 0.790 6.735 1.00 0.00 C ATOM 1365 O MET A 86 -5.499 -0.080 6.672 1.00 0.00 O ATOM 1366 CB MET A 86 -5.024 3.149 7.326 1.00 0.00 C ATOM 1367 CG MET A 86 -5.102 4.243 8.380 1.00 0.00 C ATOM 1368 SD MET A 86 -6.497 3.970 9.485 1.00 0.00 S ATOM 1369 CE MET A 86 -5.613 4.055 11.057 1.00 0.00 C ATOM 0 H MET A 86 -2.614 2.166 7.840 1.00 0.00 H new ATOM 0 HA MET A 86 -5.393 1.469 8.600 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.290 3.438 6.574 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.987 3.079 6.821 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.176 4.267 8.955 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.201 5.214 7.895 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.563 3.061 11.501 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.603 4.427 10.887 1.00 0.00 H new ATOM 0 HE3 MET A 86 -6.139 4.728 11.734 1.00 0.00 H new ATOM 1379 N ALA A 87 -3.554 0.779 5.963 1.00 0.00 N ATOM 1380 CA ALA A 87 -3.342 -0.216 4.944 1.00 0.00 C ATOM 1381 C ALA A 87 -2.810 -1.506 5.549 1.00 0.00 C ATOM 1382 O ALA A 87 -2.363 -2.365 4.825 1.00 0.00 O ATOM 1383 CB ALA A 87 -2.360 0.303 3.913 1.00 0.00 C ATOM 0 H ALA A 87 -2.804 1.466 6.035 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.299 -0.424 4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.204 -0.455 3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.758 1.208 3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.410 0.530 4.397 1.00 0.00 H new ATOM 1389 N HIS A 88 -2.822 -1.666 6.864 1.00 0.00 N ATOM 1390 CA HIS A 88 -2.466 -2.913 7.510 1.00 0.00 C ATOM 1391 C HIS A 88 -3.706 -3.677 7.911 1.00 0.00 C ATOM 1392 O HIS A 88 -3.617 -4.839 8.194 1.00 0.00 O ATOM 1393 CB HIS A 88 -1.596 -2.598 8.725 1.00 0.00 C ATOM 1394 CG HIS A 88 -2.307 -2.147 9.981 1.00 0.00 C ATOM 1395 ND1 HIS A 88 -3.461 -1.423 10.078 1.00 0.00 N flip ATOM 1396 CD2 HIS A 88 -1.878 -2.432 11.269 1.00 0.00 C flip ATOM 1397 CE1 HIS A 88 -3.743 -1.274 11.412 1.00 0.00 C flip ATOM 1398 NE2 HIS A 88 -2.775 -1.885 12.128 1.00 0.00 N flip ATOM 0 H HIS A 88 -3.082 -0.925 7.515 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.907 -3.544 6.819 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.015 -3.489 8.966 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.886 -1.822 8.441 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.992 -2.988 11.539 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.597 -0.755 11.821 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -2.726 -1.928 13.146 1.00 0.00 H new ATOM 1407 N ASN A 89 -4.849 -3.010 8.030 1.00 0.00 N ATOM 1408 CA ASN A 89 -6.122 -3.608 8.355 1.00 0.00 C ATOM 1409 C ASN A 89 -7.012 -3.586 7.144 1.00 0.00 C ATOM 1410 O ASN A 89 -7.811 -4.464 7.053 1.00 0.00 O ATOM 1411 CB ASN A 89 -6.817 -2.834 9.465 1.00 0.00 C ATOM 1412 CG ASN A 89 -6.402 -3.364 10.817 1.00 0.00 C ATOM 1413 OD1 ASN A 89 -5.153 -3.709 10.966 1.00 0.00 O flip ATOM 1414 ND2 ASN A 89 -7.144 -3.425 11.764 1.00 0.00 N flip ATOM 0 H ASN A 89 -4.907 -2.001 7.896 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.940 -4.631 8.684 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.567 -1.776 9.390 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.898 -2.915 9.352 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -8.123 -3.158 11.663 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.793 -3.743 12.667 1.00 0.00 H new ATOM 1421 N LEU A 90 -6.836 -2.675 6.193 1.00 0.00 N ATOM 1422 CA LEU A 90 -7.568 -2.703 4.933 1.00 0.00 C ATOM 1423 C LEU A 90 -7.355 -4.019 4.162 1.00 0.00 C ATOM 1424 O LEU A 90 -8.331 -4.653 3.765 1.00 0.00 O ATOM 1425 CB LEU A 90 -7.119 -1.497 4.091 1.00 0.00 C ATOM 1426 CG LEU A 90 -7.909 -0.234 4.414 1.00 0.00 C ATOM 1427 CD1 LEU A 90 -7.113 0.999 3.965 1.00 0.00 C ATOM 1428 CD2 LEU A 90 -9.255 -0.276 3.696 1.00 0.00 C ATOM 0 H LEU A 90 -6.182 -1.897 6.274 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.636 -2.644 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.059 -1.312 4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.234 -1.733 3.033 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.080 -0.176 5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.679 1.901 4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.157 1.026 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.937 0.947 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.819 0.627 3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.092 -0.336 2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.817 -1.149 4.027 1.00 0.00 H new ATOM 1440 N PRO A 91 -6.108 -4.466 3.943 1.00 0.00 N ATOM 1441 CA PRO A 91 -5.837 -5.710 3.262 1.00 0.00 C ATOM 1442 C PRO A 91 -6.085 -6.903 4.168 1.00 0.00 C ATOM 1443 O PRO A 91 -6.489 -7.955 3.704 1.00 0.00 O ATOM 1444 CB PRO A 91 -4.376 -5.667 2.861 1.00 0.00 C ATOM 1445 CG PRO A 91 -3.746 -4.606 3.746 1.00 0.00 C ATOM 1446 CD PRO A 91 -4.875 -3.854 4.371 1.00 0.00 C ATOM 0 HA PRO A 91 -6.494 -5.822 2.400 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.899 -6.636 3.009 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.265 -5.415 1.806 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.114 -5.061 4.508 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.112 -3.939 3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.794 -3.879 5.458 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.846 -2.806 4.073 1.00 0.00 H new ATOM 1454 N ILE A 92 -5.836 -6.772 5.464 1.00 0.00 N ATOM 1455 CA ILE A 92 -6.126 -7.844 6.413 1.00 0.00 C ATOM 1456 C ILE A 92 -7.616 -8.084 6.560 1.00 0.00 C ATOM 1457 O ILE A 92 -8.001 -9.240 6.631 1.00 0.00 O ATOM 1458 CB ILE A 92 -5.544 -7.488 7.779 1.00 0.00 C ATOM 1459 CG1 ILE A 92 -4.047 -7.794 7.787 1.00 0.00 C ATOM 1460 CG2 ILE A 92 -6.303 -8.183 8.922 1.00 0.00 C ATOM 1461 CD1 ILE A 92 -3.477 -8.186 9.143 1.00 0.00 C ATOM 0 H ILE A 92 -5.434 -5.934 5.885 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.671 -8.756 6.027 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.671 -6.420 7.955 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.853 -8.602 7.081 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.510 -6.917 7.424 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.858 -7.904 9.877 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.348 -7.875 8.905 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.241 -9.264 8.795 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.409 -8.383 9.046 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.633 -7.373 9.852 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.980 -9.083 9.504 1.00 0.00 H new ATOM 1473 N GLU A 93 -8.425 -7.032 6.602 1.00 0.00 N ATOM 1474 CA GLU A 93 -9.883 -7.121 6.681 1.00 0.00 C ATOM 1475 C GLU A 93 -10.460 -7.802 5.447 1.00 0.00 C ATOM 1476 O GLU A 93 -11.565 -8.323 5.489 1.00 0.00 O ATOM 1477 CB GLU A 93 -10.516 -5.721 6.790 1.00 0.00 C ATOM 1478 CG GLU A 93 -10.504 -5.218 8.247 1.00 0.00 C ATOM 1479 CD GLU A 93 -11.922 -4.905 8.720 1.00 0.00 C ATOM 1480 OE1 GLU A 93 -12.471 -3.888 8.218 1.00 0.00 O ATOM 1481 OE2 GLU A 93 -12.420 -5.647 9.586 1.00 0.00 O ATOM 0 H GLU A 93 -8.081 -6.072 6.582 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.115 -7.707 7.570 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.971 -5.022 6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.541 -5.752 6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.057 -5.973 8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.884 -4.325 8.324 1.00 0.00 H new ATOM 1488 N CYS A 94 -9.690 -7.840 4.363 1.00 0.00 N ATOM 1489 CA CYS A 94 -10.045 -8.624 3.207 1.00 0.00 C ATOM 1490 C CYS A 94 -9.480 -10.037 3.231 1.00 0.00 C ATOM 1491 O CYS A 94 -9.923 -10.808 2.389 1.00 0.00 O ATOM 1492 CB CYS A 94 -9.537 -7.903 1.975 1.00 0.00 C ATOM 1493 SG CYS A 94 -10.699 -6.757 1.224 1.00 0.00 S ATOM 0 H CYS A 94 -8.812 -7.329 4.271 1.00 0.00 H new ATOM 0 HA CYS A 94 -11.130 -8.728 3.202 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.633 -7.356 2.241 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -9.252 -8.646 1.230 1.00 0.00 H new ATOM 1498 N ASN A 95 -8.535 -10.349 4.128 1.00 0.00 N ATOM 1499 CA ASN A 95 -7.845 -11.624 4.330 1.00 0.00 C ATOM 1500 C ASN A 95 -6.657 -11.716 3.348 1.00 0.00 C ATOM 1501 O ASN A 95 -6.254 -12.779 2.903 1.00 0.00 O ATOM 1502 CB ASN A 95 -8.855 -12.770 4.164 1.00 0.00 C ATOM 1503 CG ASN A 95 -8.463 -14.005 4.945 1.00 0.00 C ATOM 1504 OD1 ASN A 95 -9.223 -14.502 5.755 1.00 0.00 O ATOM 1505 ND2 ASN A 95 -7.253 -14.477 4.784 1.00 0.00 N ATOM 0 H ASN A 95 -8.206 -9.647 4.791 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.435 -11.699 5.337 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.839 -12.434 4.492 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.941 -13.024 3.108 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -6.937 -15.271 5.341 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.626 -14.051 4.101 1.00 0.00 H new ATOM 1512 N LEU A 96 -6.152 -10.586 2.892 1.00 0.00 N ATOM 1513 CA LEU A 96 -5.112 -10.601 1.898 1.00 0.00 C ATOM 1514 C LEU A 96 -3.832 -10.879 2.643 1.00 0.00 C ATOM 1515 O LEU A 96 -3.249 -11.930 2.457 1.00 0.00 O ATOM 1516 CB LEU A 96 -5.114 -9.287 1.154 1.00 0.00 C ATOM 1517 CG LEU A 96 -6.500 -8.943 0.563 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -6.563 -7.459 0.280 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -6.833 -9.770 -0.683 1.00 0.00 C ATOM 0 H LEU A 96 -6.446 -9.657 3.194 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.250 -11.368 1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.803 -8.490 1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.380 -9.328 0.350 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.260 -9.204 1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.538 -7.209 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.412 -6.905 1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.784 -7.191 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.817 -9.487 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.086 -9.583 -1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.833 -10.830 -0.427 1.00 0.00 H new ATOM 1531 N MET A 97 -3.518 -10.017 3.614 1.00 0.00 N ATOM 1532 CA MET A 97 -2.319 -10.124 4.420 1.00 0.00 C ATOM 1533 C MET A 97 -2.601 -10.388 5.875 1.00 0.00 C ATOM 1534 O MET A 97 -1.737 -10.075 6.680 1.00 0.00 O ATOM 1535 CB MET A 97 -1.480 -8.869 4.241 1.00 0.00 C ATOM 1536 CG MET A 97 -2.080 -7.655 4.931 1.00 0.00 C ATOM 1537 SD MET A 97 -1.099 -7.013 6.313 1.00 0.00 S ATOM 1538 CE MET A 97 0.404 -6.611 5.420 1.00 0.00 C ATOM 0 H MET A 97 -4.103 -9.218 3.858 1.00 0.00 H new ATOM 0 HA MET A 97 -1.763 -10.993 4.069 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.479 -9.047 4.635 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.371 -8.659 3.177 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.209 -6.862 4.195 1.00 0.00 H new ATOM 0 HG3 MET A 97 -3.073 -7.915 5.297 1.00 0.00 H new ATOM 0 HE1 MET A 97 0.909 -5.781 5.913 1.00 0.00 H new ATOM 0 HE2 MET A 97 1.062 -7.480 5.406 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.155 -6.328 4.397 1.00 0.00 H new ATOM 1548 N SER A 98 -3.788 -10.923 6.188 1.00 0.00 N ATOM 1549 CA SER A 98 -4.251 -11.199 7.554 1.00 0.00 C ATOM 1550 C SER A 98 -3.138 -11.637 8.497 1.00 0.00 C ATOM 1551 O SER A 98 -2.646 -10.869 9.299 1.00 0.00 O ATOM 1552 CB SER A 98 -5.376 -12.214 7.589 1.00 0.00 C ATOM 1553 OG SER A 98 -4.994 -13.353 6.849 1.00 0.00 O ATOM 0 H SER A 98 -4.472 -11.183 5.478 1.00 0.00 H new ATOM 0 HA SER A 98 -4.629 -10.242 7.912 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.599 -12.492 8.619 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.285 -11.782 7.171 1.00 0.00 H new ATOM 0 HG SER A 98 -5.717 -14.014 6.869 1.00 0.00 H new ATOM 1559 N GLN A 99 -2.651 -12.839 8.328 1.00 0.00 N ATOM 1560 CA GLN A 99 -1.420 -13.293 8.946 1.00 0.00 C ATOM 1561 C GLN A 99 -0.763 -14.407 8.115 1.00 0.00 C ATOM 1562 O GLN A 99 -0.546 -15.519 8.596 1.00 0.00 O ATOM 1563 CB GLN A 99 -1.854 -13.719 10.345 1.00 0.00 C ATOM 1564 CG GLN A 99 -1.684 -12.577 11.353 1.00 0.00 C ATOM 1565 CD GLN A 99 -0.803 -12.934 12.524 1.00 0.00 C ATOM 1566 OE1 GLN A 99 -0.661 -14.064 12.947 1.00 0.00 O ATOM 1567 NE2 GLN A 99 -0.238 -11.940 13.148 1.00 0.00 N ATOM 0 H GLN A 99 -3.102 -13.546 7.748 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.642 -12.532 9.001 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.897 -14.036 10.324 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.266 -14.579 10.664 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.262 -11.712 10.842 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.665 -12.281 11.724 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.352 -10.988 12.800 1.00 0.00 H new ATOM 0 HE22 GLN A 99 0.319 -12.113 13.985 1.00 0.00 H new ATOM 1576 N PRO A 100 -0.497 -14.167 6.823 1.00 0.00 N ATOM 1577 CA PRO A 100 0.106 -15.177 5.977 1.00 0.00 C ATOM 1578 C PRO A 100 1.592 -15.312 6.309 1.00 0.00 C ATOM 1579 O PRO A 100 2.035 -16.365 6.738 1.00 0.00 O ATOM 1580 CB PRO A 100 -0.114 -14.704 4.544 1.00 0.00 C ATOM 1581 CG PRO A 100 -0.428 -13.221 4.635 1.00 0.00 C ATOM 1582 CD PRO A 100 -0.689 -12.929 6.094 1.00 0.00 C ATOM 0 HA PRO A 100 -0.336 -16.162 6.126 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.773 -14.878 3.935 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -0.934 -15.248 4.075 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.405 -12.624 4.262 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.297 -12.970 4.027 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.010 -12.159 6.459 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.702 -12.553 6.235 1.00 0.00 H new ATOM 1590 N CYS A 101 2.378 -14.266 6.059 1.00 0.00 N ATOM 1591 CA CYS A 101 3.805 -14.279 6.332 1.00 0.00 C ATOM 1592 C CYS A 101 4.010 -14.200 7.841 1.00 0.00 C ATOM 1593 O CYS A 101 3.534 -13.251 8.468 1.00 0.00 O ATOM 1594 CB CYS A 101 4.482 -13.123 5.595 1.00 0.00 C ATOM 1595 SG CYS A 101 3.743 -12.644 3.984 1.00 0.00 S ATOM 0 H CYS A 101 2.039 -13.389 5.662 1.00 0.00 H new ATOM 0 HA CYS A 101 4.262 -15.201 5.971 1.00 0.00 H new ATOM 0 HB2 CYS A 101 4.476 -12.250 6.248 1.00 0.00 H new ATOM 0 HB3 CYS A 101 5.526 -13.388 5.428 1.00 0.00 H new ATOM 1600 N GLN A 102 4.648 -15.209 8.413 1.00 0.00 N ATOM 1601 CA GLN A 102 4.927 -15.272 9.846 1.00 0.00 C ATOM 1602 C GLN A 102 6.420 -15.409 10.070 1.00 0.00 C ATOM 1603 O GLN A 102 7.175 -15.341 9.097 1.00 0.00 O ATOM 1604 CB GLN A 102 4.125 -16.411 10.476 1.00 0.00 C ATOM 1605 CG GLN A 102 2.615 -16.178 10.315 1.00 0.00 C ATOM 1606 CD GLN A 102 1.956 -15.784 11.623 1.00 0.00 C ATOM 1607 OE1 GLN A 102 2.426 -14.947 12.375 1.00 0.00 O ATOM 1608 NE2 GLN A 102 0.852 -16.412 11.933 1.00 0.00 N ATOM 0 H GLN A 102 4.992 -16.017 7.894 1.00 0.00 H new ATOM 0 HA GLN A 102 4.614 -14.350 10.336 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.402 -17.356 10.010 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.373 -16.493 11.534 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.446 -15.396 9.575 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.147 -17.085 9.933 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.467 -17.110 11.297 1.00 0.00 H new ATOM 0 HE22 GLN A 102 0.376 -16.203 12.811 1.00 0.00 H new ATOM 1617 N MET A 103 6.812 -15.506 11.342 1.00 0.00 N ATOM 1618 CA MET A 103 8.200 -15.774 11.717 1.00 0.00 C ATOM 1619 C MET A 103 8.871 -16.912 10.915 1.00 0.00 C ATOM 1620 O MET A 103 10.112 -16.889 10.899 1.00 0.00 O ATOM 1621 CB MET A 103 8.267 -16.029 13.233 1.00 0.00 C ATOM 1622 CG MET A 103 7.567 -17.351 13.595 1.00 0.00 C ATOM 1623 SD MET A 103 5.959 -17.133 14.396 1.00 0.00 S ATOM 1624 CE MET A 103 6.534 -17.078 16.107 1.00 0.00 C ATOM 1625 OXT MET A 103 8.126 -17.827 10.455 1.00 0.00 O ATOM 0 H MET A 103 6.180 -15.402 12.136 1.00 0.00 H new ATOM 0 HA MET A 103 8.781 -14.888 11.458 1.00 0.00 H new ATOM 0 HB2 MET A 103 9.308 -16.063 13.555 1.00 0.00 H new ATOM 0 HB3 MET A 103 7.795 -15.204 13.767 1.00 0.00 H new ATOM 0 HG2 MET A 103 7.433 -17.940 12.688 1.00 0.00 H new ATOM 0 HG3 MET A 103 8.216 -17.926 14.256 1.00 0.00 H new ATOM 0 HE1 MET A 103 5.681 -16.946 16.773 1.00 0.00 H new ATOM 0 HE2 MET A 103 7.044 -18.010 16.350 1.00 0.00 H new ATOM 0 HE3 MET A 103 7.224 -16.244 16.232 1.00 0.00 H new TER 1635 MET A 103