USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 854 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 70 ASN : amide:sc= 1.58 K(o=0.82,f=-8.9!) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.755 USER MOD Set 2.1: A 69 GLN : amide:sc= -1.99 K(o=-2.2,f=-4.9!) USER MOD Set 2.2: A 76 TYR OH : rot 50:sc= -0.179 USER MOD Set 3.1: A 37 HIS :FLIP no HE2:sc= -0.496 F(o=-2.7,f=-1.4) USER MOD Set 3.2: A 48 HIS :FLIP no HD1:sc= -0.922 F(o=-4!,f=-1.4) USER MOD Set 4.1: A 18 ASN :FLIP amide:sc= 0 F(o=-0.65!,f=0) USER MOD Set 4.2: A 32 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Set 5.1: A 23 SER OG : rot 6:sc= 0.325 USER MOD Set 5.2: A 25 THR OG1 : rot 180:sc= 0.4 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.176 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= 1.17 K(o=1.2,f=-3.8!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= -0.181 USER MOD Single : A 8 MET CE :methyl 180:sc= -0.802 (180deg=-0.802) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.417 X(o=-0.42,f=-0.54) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0424 USER MOD Single : A 24 SER OG : rot -32:sc= 0.188 USER MOD Single : A 27 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.41) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN :FLIP amide:sc= -0.0342 F(o=-2.8!,f=-0.034) USER MOD Single : A 31 GLN : amide:sc= 0.901 K(o=0.9,f=-0.066) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.183 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 82:sc= 1.06 USER MOD Single : A 55 HIS : no HD1:sc= -0.0405 X(o=-0.041,f=-0.15) USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= -0.0642 (180deg=-0.346) USER MOD Single : A 62 LYS NZ :NH3+ -117:sc= -0.224 (180deg=-0.851!) USER MOD Single : A 64 SER OG : rot 102:sc= 0.129 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 15:sc= 0.153 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.476 USER MOD Single : A 92 LYS NZ :NH3+ -157:sc= -0.0956 (180deg=-0.532) USER MOD Single : A 93 SER OG : rot 163:sc= 0.294 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 155:sc= -0.173 (180deg=-0.74) USER MOD Single : A 100 LYS NZ :NH3+ -129:sc= 0.802 (180deg=-0.0026) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.168 -18.746 -9.488 1.00 0.00 N ATOM 2 CA GLY A 1 -19.365 -19.659 -8.683 1.00 0.00 C ATOM 3 C GLY A 1 -20.121 -20.094 -7.472 1.00 0.00 C ATOM 4 O GLY A 1 -21.230 -19.628 -7.247 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.322 -19.158 -10.431 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.086 -18.590 -9.024 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.670 -17.838 -9.584 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.088 -20.529 -9.278 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.438 -19.170 -8.384 1.00 0.00 H new ATOM 10 N ALA A 2 -19.529 -20.969 -6.676 1.00 0.00 N ATOM 11 CA ALA A 2 -20.177 -21.453 -5.468 1.00 0.00 C ATOM 12 C ALA A 2 -20.045 -20.416 -4.359 1.00 0.00 C ATOM 13 O ALA A 2 -20.754 -20.453 -3.359 1.00 0.00 O ATOM 14 CB ALA A 2 -19.571 -22.783 -5.035 1.00 0.00 C ATOM 0 H ALA A 2 -18.601 -21.359 -6.844 1.00 0.00 H new ATOM 0 HA ALA A 2 -21.235 -21.613 -5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -20.067 -23.131 -4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -19.704 -23.519 -5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -18.507 -22.651 -4.838 1.00 0.00 H new ATOM 20 N HIS A 3 -19.121 -19.504 -4.547 1.00 0.00 N ATOM 21 CA HIS A 3 -18.878 -18.440 -3.604 1.00 0.00 C ATOM 22 C HIS A 3 -19.433 -17.137 -4.161 1.00 0.00 C ATOM 23 O HIS A 3 -20.051 -17.123 -5.235 1.00 0.00 O ATOM 24 CB HIS A 3 -17.372 -18.310 -3.268 1.00 0.00 C ATOM 25 CG HIS A 3 -16.803 -19.473 -2.489 1.00 0.00 C ATOM 26 ND1 HIS A 3 -16.078 -19.328 -1.328 1.00 0.00 N ATOM 27 CD2 HIS A 3 -16.850 -20.808 -2.725 1.00 0.00 C ATOM 28 CE1 HIS A 3 -15.716 -20.511 -0.892 1.00 0.00 C ATOM 29 NE2 HIS A 3 -16.168 -21.424 -1.714 1.00 0.00 N ATOM 0 H HIS A 3 -18.512 -19.480 -5.365 1.00 0.00 H new ATOM 0 HA HIS A 3 -19.389 -18.675 -2.670 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -16.813 -18.203 -4.198 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -17.218 -17.395 -2.696 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -15.857 -18.440 -0.877 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -17.336 -21.294 -3.558 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -15.139 -20.701 0.001 1.00 0.00 H new ATOM 38 N MET A 4 -19.224 -16.066 -3.451 1.00 0.00 N ATOM 39 CA MET A 4 -19.771 -14.777 -3.834 1.00 0.00 C ATOM 40 C MET A 4 -18.682 -13.897 -4.398 1.00 0.00 C ATOM 41 O MET A 4 -17.524 -14.292 -4.452 1.00 0.00 O ATOM 42 CB MET A 4 -20.403 -14.102 -2.610 1.00 0.00 C ATOM 43 CG MET A 4 -21.428 -14.971 -1.899 1.00 0.00 C ATOM 44 SD MET A 4 -22.792 -15.457 -2.971 1.00 0.00 S ATOM 45 CE MET A 4 -23.677 -16.577 -1.889 1.00 0.00 C ATOM 0 H MET A 4 -18.673 -16.051 -2.592 1.00 0.00 H new ATOM 0 HA MET A 4 -20.533 -14.927 -4.598 1.00 0.00 H new ATOM 0 HB2 MET A 4 -19.615 -13.834 -1.906 1.00 0.00 H new ATOM 0 HB3 MET A 4 -20.880 -13.174 -2.923 1.00 0.00 H new ATOM 0 HG2 MET A 4 -20.937 -15.865 -1.515 1.00 0.00 H new ATOM 0 HG3 MET A 4 -21.822 -14.430 -1.039 1.00 0.00 H new ATOM 0 HE1 MET A 4 -24.553 -16.967 -2.407 1.00 0.00 H new ATOM 0 HE2 MET A 4 -23.024 -17.403 -1.608 1.00 0.00 H new ATOM 0 HE3 MET A 4 -23.993 -16.043 -0.993 1.00 0.00 H new ATOM 55 N GLY A 5 -19.061 -12.742 -4.858 1.00 0.00 N ATOM 56 CA GLY A 5 -18.108 -11.773 -5.279 1.00 0.00 C ATOM 57 C GLY A 5 -18.003 -10.731 -4.212 1.00 0.00 C ATOM 58 O GLY A 5 -17.324 -10.943 -3.201 1.00 0.00 O ATOM 0 H GLY A 5 -20.034 -12.451 -4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -17.139 -12.242 -5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -18.415 -11.322 -6.223 1.00 0.00 H new ATOM 62 N GLY A 6 -18.723 -9.647 -4.395 1.00 0.00 N ATOM 63 CA GLY A 6 -18.764 -8.606 -3.415 1.00 0.00 C ATOM 64 C GLY A 6 -17.480 -7.865 -3.400 1.00 0.00 C ATOM 65 O GLY A 6 -16.665 -8.055 -2.509 1.00 0.00 O ATOM 0 H GLY A 6 -19.290 -9.471 -5.224 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -19.584 -7.922 -3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -18.958 -9.031 -2.430 1.00 0.00 H new ATOM 69 N SER A 7 -17.286 -7.045 -4.388 1.00 0.00 N ATOM 70 CA SER A 7 -16.049 -6.319 -4.508 1.00 0.00 C ATOM 71 C SER A 7 -15.923 -5.260 -3.383 1.00 0.00 C ATOM 72 O SER A 7 -16.913 -4.605 -3.000 1.00 0.00 O ATOM 73 CB SER A 7 -15.943 -5.729 -5.903 1.00 0.00 C ATOM 74 OG SER A 7 -16.322 -6.693 -6.891 1.00 0.00 O ATOM 0 H SER A 7 -17.966 -6.859 -5.125 1.00 0.00 H new ATOM 0 HA SER A 7 -15.204 -6.995 -4.377 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.583 -4.850 -5.981 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.921 -5.396 -6.086 1.00 0.00 H new ATOM 0 HG SER A 7 -16.249 -6.293 -7.783 1.00 0.00 H new ATOM 80 N MET A 8 -14.714 -5.120 -2.879 1.00 0.00 N ATOM 81 CA MET A 8 -14.431 -4.325 -1.717 1.00 0.00 C ATOM 82 C MET A 8 -13.406 -3.280 -1.984 1.00 0.00 C ATOM 83 O MET A 8 -12.456 -3.530 -2.685 1.00 0.00 O ATOM 84 CB MET A 8 -13.870 -5.190 -0.632 1.00 0.00 C ATOM 85 CG MET A 8 -14.525 -6.493 -0.358 1.00 0.00 C ATOM 86 SD MET A 8 -16.154 -6.451 0.353 1.00 0.00 S ATOM 87 CE MET A 8 -16.259 -8.212 0.668 1.00 0.00 C ATOM 0 H MET A 8 -13.889 -5.567 -3.279 1.00 0.00 H new ATOM 0 HA MET A 8 -15.373 -3.858 -1.430 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.825 -5.388 -0.872 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.881 -4.612 0.292 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.580 -7.047 -1.295 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.879 -7.062 0.311 1.00 0.00 H new ATOM 0 HE1 MET A 8 -17.220 -8.443 1.127 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.165 -8.756 -0.272 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.455 -8.510 1.341 1.00 0.00 H new ATOM 97 N LYS A 9 -13.589 -2.116 -1.430 1.00 0.00 N ATOM 98 CA LYS A 9 -12.630 -1.077 -1.518 1.00 0.00 C ATOM 99 C LYS A 9 -11.807 -1.051 -0.231 1.00 0.00 C ATOM 100 O LYS A 9 -12.190 -0.459 0.785 1.00 0.00 O ATOM 101 CB LYS A 9 -13.319 0.227 -1.800 1.00 0.00 C ATOM 102 CG LYS A 9 -12.393 1.373 -2.025 1.00 0.00 C ATOM 103 CD LYS A 9 -13.028 2.384 -2.928 1.00 0.00 C ATOM 104 CE LYS A 9 -14.377 2.871 -2.428 1.00 0.00 C ATOM 105 NZ LYS A 9 -14.914 3.951 -3.276 1.00 0.00 N ATOM 0 H LYS A 9 -14.424 -1.868 -0.899 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.941 -1.252 -2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.951 0.108 -2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.977 0.465 -0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.138 1.836 -1.072 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.462 1.016 -2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.358 3.237 -3.035 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.151 1.949 -3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.081 2.039 -2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.278 3.228 -1.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.835 4.258 -2.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.254 4.755 -3.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.032 3.603 -4.249 1.00 0.00 H new ATOM 119 N ILE A 10 -10.696 -1.701 -0.308 1.00 0.00 N ATOM 120 CA ILE A 10 -9.843 -1.969 0.800 1.00 0.00 C ATOM 121 C ILE A 10 -8.606 -1.086 0.769 1.00 0.00 C ATOM 122 O ILE A 10 -8.063 -0.827 -0.312 1.00 0.00 O ATOM 123 CB ILE A 10 -9.439 -3.456 0.696 1.00 0.00 C ATOM 124 CG1 ILE A 10 -10.671 -4.330 0.885 1.00 0.00 C ATOM 125 CG2 ILE A 10 -8.331 -3.829 1.656 1.00 0.00 C ATOM 126 CD1 ILE A 10 -10.481 -5.756 0.488 1.00 0.00 C ATOM 0 H ILE A 10 -10.341 -2.078 -1.187 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.358 -1.759 1.737 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.031 -3.627 -0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -10.970 -4.294 1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.492 -3.910 0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.088 -4.885 1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.447 -3.228 1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.658 -3.643 2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.407 -6.307 0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.214 -5.807 -0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.684 -6.197 1.086 1.00 0.00 H new ATOM 138 N ARG A 11 -8.188 -0.585 1.941 1.00 0.00 N ATOM 139 CA ARG A 11 -6.911 0.074 2.057 1.00 0.00 C ATOM 140 C ARG A 11 -5.818 -0.894 1.822 1.00 0.00 C ATOM 141 O ARG A 11 -5.825 -1.990 2.348 1.00 0.00 O ATOM 142 CB ARG A 11 -6.662 0.677 3.461 1.00 0.00 C ATOM 143 CG ARG A 11 -7.097 2.130 3.673 1.00 0.00 C ATOM 144 CD ARG A 11 -6.571 3.042 2.567 1.00 0.00 C ATOM 145 NE ARG A 11 -6.448 4.448 3.006 1.00 0.00 N ATOM 146 CZ ARG A 11 -6.368 5.512 2.190 1.00 0.00 C ATOM 147 NH1 ARG A 11 -6.783 5.421 0.928 1.00 0.00 N ATOM 148 NH2 ARG A 11 -5.984 6.692 2.672 1.00 0.00 N ATOM 0 H ARG A 11 -8.723 -0.631 2.808 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.927 0.874 1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.178 0.057 4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.596 0.606 3.678 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.185 2.184 3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.734 2.482 4.639 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.597 2.682 2.235 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.240 2.990 1.708 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.422 4.625 4.010 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.163 4.541 0.578 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.721 6.231 0.311 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.751 6.788 3.660 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.923 7.500 2.053 1.00 0.00 H new ATOM 162 N VAL A 12 -4.923 -0.536 1.026 1.00 0.00 N ATOM 163 CA VAL A 12 -3.806 -1.328 0.792 1.00 0.00 C ATOM 164 C VAL A 12 -2.609 -0.570 1.245 1.00 0.00 C ATOM 165 O VAL A 12 -2.476 0.598 0.845 1.00 0.00 O ATOM 166 CB VAL A 12 -3.647 -1.537 -0.743 1.00 0.00 C ATOM 167 CG1 VAL A 12 -2.493 -2.481 -1.034 1.00 0.00 C ATOM 168 CG2 VAL A 12 -4.923 -2.090 -1.329 1.00 0.00 C ATOM 0 H VAL A 12 -4.940 0.338 0.501 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.910 -2.282 1.309 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.434 -0.571 -1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.396 -2.616 -2.111 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.569 -2.060 -0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.684 -3.445 -0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.799 -2.232 -2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.153 -3.047 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.740 -1.391 -1.147 1.00 0.00 H new ATOM 178 N GLU A 13 -1.778 -1.128 2.101 1.00 0.00 N ATOM 179 CA GLU A 13 -0.532 -0.491 2.280 1.00 0.00 C ATOM 180 C GLU A 13 0.381 -1.007 1.225 1.00 0.00 C ATOM 181 O GLU A 13 0.233 -2.134 0.783 1.00 0.00 O ATOM 182 CB GLU A 13 0.257 -0.628 3.595 1.00 0.00 C ATOM 183 CG GLU A 13 -0.434 0.055 4.742 1.00 0.00 C ATOM 184 CD GLU A 13 0.437 0.260 5.951 1.00 0.00 C ATOM 185 OE1 GLU A 13 1.154 1.274 6.003 1.00 0.00 O ATOM 186 OE2 GLU A 13 0.374 -0.537 6.895 1.00 0.00 O ATOM 0 H GLU A 13 -1.945 -1.973 2.647 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.820 0.560 2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.390 -1.684 3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.252 -0.202 3.466 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.803 1.024 4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.304 -0.534 5.031 1.00 0.00 H new ATOM 193 N LEU A 14 1.288 -0.214 0.825 1.00 0.00 N ATOM 194 CA LEU A 14 2.264 -0.606 -0.133 1.00 0.00 C ATOM 195 C LEU A 14 3.633 -0.443 0.441 1.00 0.00 C ATOM 196 O LEU A 14 3.950 0.599 1.021 1.00 0.00 O ATOM 197 CB LEU A 14 2.064 0.242 -1.403 1.00 0.00 C ATOM 198 CG LEU A 14 3.086 0.194 -2.574 1.00 0.00 C ATOM 199 CD1 LEU A 14 4.275 1.087 -2.331 1.00 0.00 C ATOM 200 CD2 LEU A 14 3.528 -1.213 -2.875 1.00 0.00 C ATOM 0 H LEU A 14 1.386 0.747 1.153 1.00 0.00 H new ATOM 0 HA LEU A 14 2.151 -1.658 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.093 -0.029 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.995 1.282 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 14 2.564 0.576 -3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.960 1.019 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.939 2.118 -2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.788 0.771 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.241 -1.202 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.001 -1.643 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.663 -1.815 -3.152 1.00 0.00 H new ATOM 212 N ILE A 15 4.443 -1.460 0.321 1.00 0.00 N ATOM 213 CA ILE A 15 5.835 -1.318 0.673 1.00 0.00 C ATOM 214 C ILE A 15 6.657 -1.172 -0.611 1.00 0.00 C ATOM 215 O ILE A 15 6.735 -2.104 -1.442 1.00 0.00 O ATOM 216 CB ILE A 15 6.499 -2.491 1.508 1.00 0.00 C ATOM 217 CG1 ILE A 15 6.043 -2.459 2.993 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.032 -2.441 1.450 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.551 -2.565 3.225 1.00 0.00 C ATOM 0 H ILE A 15 4.171 -2.385 -0.013 1.00 0.00 H new ATOM 0 HA ILE A 15 5.846 -0.445 1.326 1.00 0.00 H new ATOM 0 HB ILE A 15 6.163 -3.421 1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.533 -3.276 3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.397 -1.531 3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.445 -3.262 2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.360 -2.532 0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.381 -1.493 1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.346 -2.532 4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.046 -1.733 2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.185 -3.506 2.814 1.00 0.00 H new ATOM 231 N ASN A 16 7.204 -0.015 -0.788 1.00 0.00 N ATOM 232 CA ASN A 16 8.185 0.249 -1.829 1.00 0.00 C ATOM 233 C ASN A 16 9.093 1.316 -1.266 1.00 0.00 C ATOM 234 O ASN A 16 9.823 2.015 -1.970 1.00 0.00 O ATOM 235 CB ASN A 16 7.534 0.732 -3.144 1.00 0.00 C ATOM 236 CG ASN A 16 8.492 0.922 -4.313 1.00 0.00 C ATOM 237 OD1 ASN A 16 9.487 0.205 -4.457 1.00 0.00 O ATOM 238 ND2 ASN A 16 8.211 1.897 -5.139 1.00 0.00 N ATOM 0 H ASN A 16 6.989 0.798 -0.211 1.00 0.00 H new ATOM 0 HA ASN A 16 8.723 -0.663 -2.087 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.768 0.014 -3.436 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.027 1.678 -2.953 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.823 2.085 -5.933 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.380 2.469 -4.989 1.00 0.00 H new ATOM 245 N GLY A 17 9.066 1.392 0.032 1.00 0.00 N ATOM 246 CA GLY A 17 9.749 2.418 0.731 1.00 0.00 C ATOM 247 C GLY A 17 8.800 3.548 1.051 1.00 0.00 C ATOM 248 O GLY A 17 7.579 3.405 0.933 1.00 0.00 O ATOM 0 H GLY A 17 8.564 0.736 0.631 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.176 2.020 1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.579 2.789 0.129 1.00 0.00 H new ATOM 252 N ASN A 18 9.336 4.647 1.445 1.00 0.00 N ATOM 253 CA ASN A 18 8.589 5.838 1.779 1.00 0.00 C ATOM 254 C ASN A 18 9.140 6.943 0.939 1.00 0.00 C ATOM 255 O ASN A 18 9.483 8.037 1.403 1.00 0.00 O ATOM 256 CB ASN A 18 8.713 6.132 3.259 1.00 0.00 C ATOM 257 CG ASN A 18 7.656 5.448 4.137 1.00 0.00 C ATOM 258 OD1 ASN A 18 7.118 4.332 3.699 1.00 0.00 O flip ATOM 259 ND2 ASN A 18 7.327 5.946 5.210 1.00 0.00 N flip ATOM 0 H ASN A 18 10.344 4.761 1.552 1.00 0.00 H new ATOM 0 HA ASN A 18 7.525 5.717 1.577 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.702 5.822 3.596 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.649 7.210 3.409 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.762 6.813 5.524 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.619 5.492 5.787 1.00 0.00 H new ATOM 266 N GLU A 19 9.245 6.605 -0.318 1.00 0.00 N ATOM 267 CA GLU A 19 9.811 7.415 -1.352 1.00 0.00 C ATOM 268 C GLU A 19 9.124 8.747 -1.505 1.00 0.00 C ATOM 269 O GLU A 19 7.899 8.864 -1.369 1.00 0.00 O ATOM 270 CB GLU A 19 9.731 6.664 -2.653 1.00 0.00 C ATOM 271 CG GLU A 19 10.491 5.367 -2.646 1.00 0.00 C ATOM 272 CD GLU A 19 11.960 5.581 -2.428 1.00 0.00 C ATOM 273 OE1 GLU A 19 12.642 6.073 -3.354 1.00 0.00 O ATOM 274 OE2 GLU A 19 12.471 5.229 -1.347 1.00 0.00 O ATOM 0 H GLU A 19 8.917 5.703 -0.663 1.00 0.00 H new ATOM 0 HA GLU A 19 10.844 7.622 -1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.685 6.461 -2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.116 7.297 -3.453 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.098 4.720 -1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.336 4.850 -3.593 1.00 0.00 H new ATOM 281 N HIS A 20 9.912 9.734 -1.796 1.00 0.00 N ATOM 282 CA HIS A 20 9.440 11.054 -2.036 1.00 0.00 C ATOM 283 C HIS A 20 9.717 11.419 -3.466 1.00 0.00 C ATOM 284 O HIS A 20 10.863 11.365 -3.919 1.00 0.00 O ATOM 285 CB HIS A 20 10.091 12.056 -1.118 1.00 0.00 C ATOM 286 CG HIS A 20 9.838 11.829 0.346 1.00 0.00 C ATOM 287 ND1 HIS A 20 10.816 11.942 1.294 1.00 0.00 N ATOM 288 CD2 HIS A 20 8.703 11.514 1.023 1.00 0.00 C ATOM 289 CE1 HIS A 20 10.313 11.710 2.481 1.00 0.00 C ATOM 290 NE2 HIS A 20 9.031 11.444 2.352 1.00 0.00 N ATOM 0 H HIS A 20 10.924 9.638 -1.874 1.00 0.00 H new ATOM 0 HA HIS A 20 8.368 11.077 -1.839 1.00 0.00 H new ATOM 0 HB2 HIS A 20 11.167 12.042 -1.293 1.00 0.00 H new ATOM 0 HB3 HIS A 20 9.738 13.053 -1.383 1.00 0.00 H new ATOM 0 HD2 HIS A 20 7.725 11.350 0.594 1.00 0.00 H new ATOM 0 HE1 HIS A 20 10.860 11.733 3.412 1.00 0.00 H new ATOM 0 HE2 HIS A 20 8.389 11.223 3.113 1.00 0.00 H new ATOM 299 N ARG A 21 8.679 11.692 -4.180 1.00 0.00 N ATOM 300 CA ARG A 21 8.745 12.116 -5.559 1.00 0.00 C ATOM 301 C ARG A 21 8.326 13.574 -5.588 1.00 0.00 C ATOM 302 O ARG A 21 8.334 14.216 -4.540 1.00 0.00 O ATOM 303 CB ARG A 21 7.804 11.243 -6.402 1.00 0.00 C ATOM 304 CG ARG A 21 8.195 9.771 -6.406 1.00 0.00 C ATOM 305 CD ARG A 21 7.172 8.915 -7.115 1.00 0.00 C ATOM 306 NE ARG A 21 7.530 7.487 -7.083 1.00 0.00 N ATOM 307 CZ ARG A 21 6.679 6.487 -6.830 1.00 0.00 C ATOM 308 NH1 ARG A 21 5.387 6.741 -6.604 1.00 0.00 N ATOM 309 NH2 ARG A 21 7.122 5.231 -6.792 1.00 0.00 N ATOM 0 H ARG A 21 7.727 11.628 -3.820 1.00 0.00 H new ATOM 0 HA ARG A 21 9.747 12.010 -5.974 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.788 11.341 -6.020 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.796 11.613 -7.427 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.164 9.655 -6.892 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.309 9.424 -5.379 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.197 9.055 -6.649 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.080 9.243 -8.151 1.00 0.00 H new ATOM 0 HE ARG A 21 8.503 7.242 -7.268 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.045 7.702 -6.624 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.743 5.974 -6.412 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.109 5.033 -6.956 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.474 4.467 -6.599 1.00 0.00 H new ATOM 323 N THR A 22 7.986 14.102 -6.741 1.00 0.00 N ATOM 324 CA THR A 22 7.547 15.481 -6.849 1.00 0.00 C ATOM 325 C THR A 22 6.275 15.760 -6.018 1.00 0.00 C ATOM 326 O THR A 22 5.164 15.369 -6.392 1.00 0.00 O ATOM 327 CB THR A 22 7.357 15.875 -8.325 1.00 0.00 C ATOM 328 OG1 THR A 22 6.864 14.741 -9.074 1.00 0.00 O ATOM 329 CG2 THR A 22 8.662 16.374 -8.925 1.00 0.00 C ATOM 0 H THR A 22 8.004 13.596 -7.626 1.00 0.00 H new ATOM 0 HA THR A 22 8.333 16.107 -6.427 1.00 0.00 H new ATOM 0 HB THR A 22 6.629 16.684 -8.377 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.743 14.996 -10.012 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.502 16.646 -9.968 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.007 17.247 -8.371 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.414 15.587 -8.866 1.00 0.00 H new ATOM 337 N SER A 23 6.466 16.398 -4.880 1.00 0.00 N ATOM 338 CA SER A 23 5.410 16.702 -3.970 1.00 0.00 C ATOM 339 C SER A 23 5.787 17.972 -3.201 1.00 0.00 C ATOM 340 O SER A 23 6.655 17.949 -2.318 1.00 0.00 O ATOM 341 CB SER A 23 5.205 15.507 -3.006 1.00 0.00 C ATOM 342 OG SER A 23 4.081 15.686 -2.148 1.00 0.00 O ATOM 0 H SER A 23 7.382 16.720 -4.568 1.00 0.00 H new ATOM 0 HA SER A 23 4.475 16.872 -4.503 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.073 14.594 -3.587 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.102 15.374 -2.402 1.00 0.00 H new ATOM 0 HG SER A 23 3.597 16.498 -2.408 1.00 0.00 H new ATOM 348 N SER A 24 5.176 19.080 -3.584 1.00 0.00 N ATOM 349 CA SER A 24 5.403 20.359 -2.943 1.00 0.00 C ATOM 350 C SER A 24 4.456 20.500 -1.743 1.00 0.00 C ATOM 351 O SER A 24 4.514 21.478 -0.981 1.00 0.00 O ATOM 352 CB SER A 24 5.199 21.507 -3.968 1.00 0.00 C ATOM 353 OG SER A 24 5.508 22.796 -3.415 1.00 0.00 O ATOM 0 H SER A 24 4.506 19.115 -4.352 1.00 0.00 H new ATOM 0 HA SER A 24 6.429 20.418 -2.579 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.829 21.328 -4.840 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.166 21.502 -4.315 1.00 0.00 H new ATOM 0 HG SER A 24 5.292 22.802 -2.459 1.00 0.00 H new ATOM 359 N THR A 25 3.589 19.530 -1.598 1.00 0.00 N ATOM 360 CA THR A 25 2.663 19.450 -0.498 1.00 0.00 C ATOM 361 C THR A 25 3.349 18.772 0.706 1.00 0.00 C ATOM 362 O THR A 25 4.539 18.427 0.602 1.00 0.00 O ATOM 363 CB THR A 25 1.442 18.627 -0.954 1.00 0.00 C ATOM 364 OG1 THR A 25 1.888 17.489 -1.725 1.00 0.00 O ATOM 365 CG2 THR A 25 0.488 19.478 -1.777 1.00 0.00 C ATOM 0 H THR A 25 3.506 18.756 -2.257 1.00 0.00 H new ATOM 0 HA THR A 25 2.342 20.447 -0.195 1.00 0.00 H new ATOM 0 HB THR A 25 0.906 18.280 -0.071 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.112 16.965 -2.013 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.365 18.873 -2.086 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.139 20.318 -1.176 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.005 19.854 -2.660 1.00 0.00 H new ATOM 373 N PRO A 26 2.644 18.629 1.876 1.00 0.00 N ATOM 374 CA PRO A 26 3.109 17.875 3.037 1.00 0.00 C ATOM 375 C PRO A 26 3.840 16.584 2.680 1.00 0.00 C ATOM 376 O PRO A 26 3.627 15.974 1.619 1.00 0.00 O ATOM 377 CB PRO A 26 1.796 17.545 3.793 1.00 0.00 C ATOM 378 CG PRO A 26 0.712 18.190 2.991 1.00 0.00 C ATOM 379 CD PRO A 26 1.389 19.268 2.221 1.00 0.00 C ATOM 0 HA PRO A 26 3.836 18.450 3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.644 16.468 3.867 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.818 17.935 4.811 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.233 17.472 2.326 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.067 18.596 3.636 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.821 19.561 1.338 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.537 20.168 2.818 1.00 0.00 H new ATOM 387 N GLN A 27 4.625 16.140 3.608 1.00 0.00 N ATOM 388 CA GLN A 27 5.518 14.997 3.459 1.00 0.00 C ATOM 389 C GLN A 27 4.809 13.658 3.528 1.00 0.00 C ATOM 390 O GLN A 27 5.448 12.610 3.715 1.00 0.00 O ATOM 391 CB GLN A 27 6.601 15.044 4.496 1.00 0.00 C ATOM 392 CG GLN A 27 7.732 16.066 4.300 1.00 0.00 C ATOM 393 CD GLN A 27 7.263 17.509 4.233 1.00 0.00 C ATOM 394 OE1 GLN A 27 7.122 18.184 5.257 1.00 0.00 O ATOM 395 NE2 GLN A 27 7.047 17.998 3.039 1.00 0.00 N ATOM 0 H GLN A 27 4.676 16.568 4.532 1.00 0.00 H new ATOM 0 HA GLN A 27 5.945 15.078 2.459 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.134 15.242 5.461 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.051 14.053 4.557 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.444 15.965 5.119 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.267 15.827 3.381 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.174 17.409 2.216 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.751 18.968 2.931 1.00 0.00 H new ATOM 404 N GLN A 28 3.519 13.711 3.313 1.00 0.00 N ATOM 405 CA GLN A 28 2.595 12.582 3.367 1.00 0.00 C ATOM 406 C GLN A 28 2.492 12.010 4.792 1.00 0.00 C ATOM 407 O GLN A 28 3.320 12.330 5.658 1.00 0.00 O ATOM 408 CB GLN A 28 3.023 11.502 2.369 1.00 0.00 C ATOM 409 CG GLN A 28 2.926 11.918 0.916 1.00 0.00 C ATOM 410 CD GLN A 28 3.557 10.904 -0.001 1.00 0.00 C ATOM 411 OE1 GLN A 28 2.906 9.950 -0.451 1.00 0.00 O ATOM 412 NE2 GLN A 28 4.813 11.107 -0.312 1.00 0.00 N ATOM 0 H GLN A 28 3.049 14.586 3.082 1.00 0.00 H new ATOM 0 HA GLN A 28 1.603 12.938 3.089 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.052 11.214 2.584 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.405 10.617 2.523 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.878 12.050 0.645 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.414 12.883 0.781 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.313 11.905 0.080 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.291 10.467 -0.947 1.00 0.00 H new ATOM 421 N PRO A 29 1.451 11.199 5.094 1.00 0.00 N ATOM 422 CA PRO A 29 1.369 10.526 6.377 1.00 0.00 C ATOM 423 C PRO A 29 2.585 9.641 6.527 1.00 0.00 C ATOM 424 O PRO A 29 2.970 8.946 5.566 1.00 0.00 O ATOM 425 CB PRO A 29 0.094 9.678 6.279 1.00 0.00 C ATOM 426 CG PRO A 29 -0.709 10.331 5.209 1.00 0.00 C ATOM 427 CD PRO A 29 0.287 10.898 4.240 1.00 0.00 C ATOM 0 HA PRO A 29 1.339 11.204 7.230 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.325 8.643 6.026 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.446 9.662 7.226 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.366 9.612 4.719 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.345 11.115 5.620 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.537 10.184 3.455 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.094 11.793 3.748 1.00 0.00 H new ATOM 435 N GLN A 30 3.193 9.644 7.691 1.00 0.00 N ATOM 436 CA GLN A 30 4.422 8.919 7.889 1.00 0.00 C ATOM 437 C GLN A 30 4.183 7.453 8.177 1.00 0.00 C ATOM 438 O GLN A 30 4.445 6.934 9.262 1.00 0.00 O ATOM 439 CB GLN A 30 5.372 9.571 8.880 1.00 0.00 C ATOM 440 CG GLN A 30 5.923 10.933 8.433 1.00 0.00 C ATOM 441 CD GLN A 30 5.227 12.149 9.055 1.00 0.00 C ATOM 442 OE1 GLN A 30 4.000 12.005 9.460 1.00 0.00 O flip ATOM 443 NE2 GLN A 30 5.832 13.208 9.210 1.00 0.00 N flip ATOM 0 H GLN A 30 2.854 10.142 8.514 1.00 0.00 H new ATOM 0 HA GLN A 30 4.945 8.969 6.934 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.854 9.697 9.831 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.209 8.896 9.060 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.984 10.977 8.677 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.842 11.002 7.348 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.794 13.298 8.884 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.372 13.997 9.664 1.00 0.00 H new ATOM 452 N GLN A 31 3.563 6.856 7.212 1.00 0.00 N ATOM 453 CA GLN A 31 3.227 5.499 7.121 1.00 0.00 C ATOM 454 C GLN A 31 3.551 5.081 5.720 1.00 0.00 C ATOM 455 O GLN A 31 4.176 5.848 4.981 1.00 0.00 O ATOM 456 CB GLN A 31 1.757 5.375 7.337 1.00 0.00 C ATOM 457 CG GLN A 31 1.309 5.696 8.733 1.00 0.00 C ATOM 458 CD GLN A 31 1.774 4.655 9.725 1.00 0.00 C ATOM 459 OE1 GLN A 31 1.082 3.678 9.985 1.00 0.00 O ATOM 460 NE2 GLN A 31 2.943 4.828 10.262 1.00 0.00 N ATOM 0 H GLN A 31 3.254 7.374 6.390 1.00 0.00 H new ATOM 0 HA GLN A 31 3.760 4.889 7.851 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.242 6.038 6.641 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.450 4.358 7.094 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.696 6.673 9.023 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.221 5.763 8.759 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.496 5.652 10.026 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.309 4.140 10.920 1.00 0.00 H new ATOM 469 N ASN A 32 3.132 3.933 5.331 1.00 0.00 N ATOM 470 CA ASN A 32 3.348 3.497 4.000 1.00 0.00 C ATOM 471 C ASN A 32 2.268 4.058 3.086 1.00 0.00 C ATOM 472 O ASN A 32 1.165 4.396 3.548 1.00 0.00 O ATOM 473 CB ASN A 32 3.354 1.975 3.923 1.00 0.00 C ATOM 474 CG ASN A 32 4.530 1.336 4.623 1.00 0.00 C ATOM 475 OD1 ASN A 32 5.638 1.900 4.675 1.00 0.00 O ATOM 476 ND2 ASN A 32 4.306 0.180 5.188 1.00 0.00 N ATOM 0 H ASN A 32 2.631 3.271 5.923 1.00 0.00 H new ATOM 0 HA ASN A 32 4.321 3.863 3.673 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.431 1.594 4.361 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.358 1.673 2.876 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.054 -0.293 5.695 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.383 -0.249 5.122 1.00 0.00 H new ATOM 483 N PRO A 33 2.603 4.260 1.808 1.00 0.00 N ATOM 484 CA PRO A 33 1.638 4.629 0.748 1.00 0.00 C ATOM 485 C PRO A 33 0.394 3.719 0.825 1.00 0.00 C ATOM 486 O PRO A 33 0.521 2.497 0.951 1.00 0.00 O ATOM 487 CB PRO A 33 2.471 4.343 -0.533 1.00 0.00 C ATOM 488 CG PRO A 33 3.733 3.698 -0.085 1.00 0.00 C ATOM 489 CD PRO A 33 3.968 4.186 1.277 1.00 0.00 C ATOM 0 HA PRO A 33 1.257 5.649 0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.923 3.691 -1.214 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.679 5.266 -1.074 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.644 2.612 -0.102 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.561 3.960 -0.743 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.595 3.505 1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.463 5.157 1.284 1.00 0.00 H new ATOM 497 N SER A 34 -0.783 4.302 0.764 1.00 0.00 N ATOM 498 CA SER A 34 -2.003 3.540 0.918 1.00 0.00 C ATOM 499 C SER A 34 -3.027 3.966 -0.126 1.00 0.00 C ATOM 500 O SER A 34 -3.001 5.114 -0.603 1.00 0.00 O ATOM 501 CB SER A 34 -2.567 3.699 2.358 1.00 0.00 C ATOM 502 OG SER A 34 -2.668 5.074 2.708 1.00 0.00 O ATOM 0 H SER A 34 -0.921 5.301 0.609 1.00 0.00 H new ATOM 0 HA SER A 34 -1.780 2.484 0.762 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.548 3.229 2.424 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.918 3.185 3.067 1.00 0.00 H new ATOM 0 HG SER A 34 -3.026 5.155 3.617 1.00 0.00 H new ATOM 508 N VAL A 35 -3.901 3.061 -0.483 1.00 0.00 N ATOM 509 CA VAL A 35 -4.962 3.311 -1.432 1.00 0.00 C ATOM 510 C VAL A 35 -6.126 2.483 -1.072 1.00 0.00 C ATOM 511 O VAL A 35 -5.969 1.460 -0.449 1.00 0.00 O ATOM 512 CB VAL A 35 -4.546 2.992 -2.905 1.00 0.00 C ATOM 513 CG1 VAL A 35 -4.108 1.562 -3.094 1.00 0.00 C ATOM 514 CG2 VAL A 35 -5.642 3.296 -3.907 1.00 0.00 C ATOM 0 H VAL A 35 -3.898 2.109 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.200 4.374 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.699 3.652 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.832 1.401 -4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.249 1.357 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.926 0.893 -2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.294 3.054 -4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.523 2.698 -3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.898 4.354 -3.857 1.00 0.00 H new ATOM 524 N SER A 36 -7.260 2.937 -1.392 1.00 0.00 N ATOM 525 CA SER A 36 -8.422 2.180 -1.226 1.00 0.00 C ATOM 526 C SER A 36 -8.770 1.622 -2.600 1.00 0.00 C ATOM 527 O SER A 36 -9.220 2.345 -3.492 1.00 0.00 O ATOM 528 CB SER A 36 -9.488 3.015 -0.662 1.00 0.00 C ATOM 529 OG SER A 36 -9.004 3.772 0.444 1.00 0.00 O ATOM 0 H SER A 36 -7.413 3.865 -1.786 1.00 0.00 H new ATOM 0 HA SER A 36 -8.286 1.358 -0.524 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.874 3.687 -1.428 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.319 2.386 -0.343 1.00 0.00 H new ATOM 0 HG SER A 36 -9.729 4.324 0.805 1.00 0.00 H new ATOM 535 N HIS A 37 -8.528 0.356 -2.761 1.00 0.00 N ATOM 536 CA HIS A 37 -8.614 -0.279 -4.009 1.00 0.00 C ATOM 537 C HIS A 37 -9.764 -1.275 -4.022 1.00 0.00 C ATOM 538 O HIS A 37 -10.012 -1.956 -3.044 1.00 0.00 O ATOM 539 CB HIS A 37 -7.259 -0.964 -4.288 1.00 0.00 C ATOM 540 CG HIS A 37 -7.195 -1.747 -5.557 1.00 0.00 C ATOM 541 ND1 HIS A 37 -7.580 -2.992 -5.797 1.00 0.00 N flip ATOM 542 CD2 HIS A 37 -6.704 -1.265 -6.743 1.00 0.00 C flip ATOM 543 CE1 HIS A 37 -7.345 -3.262 -7.117 1.00 0.00 C flip ATOM 544 NE2 HIS A 37 -6.806 -2.197 -7.660 1.00 0.00 N flip ATOM 0 H HIS A 37 -8.260 -0.266 -1.998 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.820 0.447 -4.796 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.481 -0.201 -4.311 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -7.028 -1.630 -3.456 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -7.982 -3.637 -5.116 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -6.298 -0.276 -6.897 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -7.565 -4.190 -7.624 1.00 0.00 H new ATOM 553 N ILE A 38 -10.433 -1.312 -5.130 1.00 0.00 N ATOM 554 CA ILE A 38 -11.588 -2.198 -5.428 1.00 0.00 C ATOM 555 C ILE A 38 -10.972 -3.613 -5.720 1.00 0.00 C ATOM 556 O ILE A 38 -10.248 -3.807 -6.708 1.00 0.00 O ATOM 557 CB ILE A 38 -12.181 -1.678 -6.686 1.00 0.00 C ATOM 558 CG1 ILE A 38 -12.769 -0.258 -6.478 1.00 0.00 C ATOM 559 CG2 ILE A 38 -13.271 -2.658 -7.083 1.00 0.00 C ATOM 560 CD1 ILE A 38 -13.840 -0.163 -5.397 1.00 0.00 C ATOM 0 H ILE A 38 -10.201 -0.704 -5.915 1.00 0.00 H new ATOM 0 HA ILE A 38 -12.328 -2.242 -4.628 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.425 -1.591 -7.466 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.956 0.423 -6.226 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -13.193 0.087 -7.421 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.743 -2.323 -8.007 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.835 -3.645 -7.236 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -14.019 -2.711 -6.292 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.192 0.866 -5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.675 -0.815 -5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.420 -0.472 -4.440 1.00 0.00 H new ATOM 572 N PHE A 39 -11.209 -4.518 -4.863 1.00 0.00 N ATOM 573 CA PHE A 39 -10.776 -5.861 -5.009 1.00 0.00 C ATOM 574 C PHE A 39 -11.972 -6.731 -5.195 1.00 0.00 C ATOM 575 O PHE A 39 -13.020 -6.467 -4.620 1.00 0.00 O ATOM 576 CB PHE A 39 -10.030 -6.333 -3.797 1.00 0.00 C ATOM 577 CG PHE A 39 -8.682 -5.754 -3.582 1.00 0.00 C ATOM 578 CD1 PHE A 39 -7.568 -6.339 -4.146 1.00 0.00 C ATOM 579 CD2 PHE A 39 -8.523 -4.667 -2.779 1.00 0.00 C ATOM 580 CE1 PHE A 39 -6.314 -5.832 -3.916 1.00 0.00 C ATOM 581 CE2 PHE A 39 -7.277 -4.156 -2.530 1.00 0.00 C ATOM 582 CZ PHE A 39 -6.166 -4.741 -3.102 1.00 0.00 C ATOM 0 H PHE A 39 -11.730 -4.348 -4.003 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.109 -5.914 -5.869 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.637 -6.119 -2.918 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -9.930 -7.417 -3.859 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.684 -7.208 -4.777 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.390 -4.202 -2.333 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.450 -6.290 -4.374 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.164 -3.296 -1.887 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.182 -4.339 -2.908 1.00 0.00 H new ATOM 592 N ASP A 40 -11.809 -7.747 -5.973 1.00 0.00 N ATOM 593 CA ASP A 40 -12.850 -8.671 -6.297 1.00 0.00 C ATOM 594 C ASP A 40 -12.214 -10.037 -6.514 1.00 0.00 C ATOM 595 O ASP A 40 -10.995 -10.190 -6.329 1.00 0.00 O ATOM 596 CB ASP A 40 -13.566 -8.221 -7.573 1.00 0.00 C ATOM 597 CG ASP A 40 -12.640 -8.149 -8.759 1.00 0.00 C ATOM 598 OD1 ASP A 40 -12.462 -9.161 -9.446 1.00 0.00 O ATOM 599 OD2 ASP A 40 -12.072 -7.087 -9.029 1.00 0.00 O ATOM 0 H ASP A 40 -10.918 -7.967 -6.418 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.581 -8.718 -5.490 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.379 -8.913 -7.793 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.016 -7.242 -7.407 1.00 0.00 H new ATOM 604 N GLY A 41 -12.991 -10.969 -7.002 1.00 0.00 N ATOM 605 CA GLY A 41 -12.520 -12.328 -7.173 1.00 0.00 C ATOM 606 C GLY A 41 -12.678 -12.787 -8.598 1.00 0.00 C ATOM 607 O GLY A 41 -12.635 -13.979 -8.896 1.00 0.00 O ATOM 0 H GLY A 41 -13.957 -10.815 -7.290 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.471 -12.391 -6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.074 -12.993 -6.511 1.00 0.00 H new ATOM 611 N GLU A 42 -12.850 -11.831 -9.479 1.00 0.00 N ATOM 612 CA GLU A 42 -13.086 -12.073 -10.860 1.00 0.00 C ATOM 613 C GLU A 42 -11.851 -11.680 -11.671 1.00 0.00 C ATOM 614 O GLU A 42 -11.579 -12.225 -12.735 1.00 0.00 O ATOM 615 CB GLU A 42 -14.289 -11.286 -11.250 1.00 0.00 C ATOM 616 CG GLU A 42 -15.515 -11.650 -10.424 1.00 0.00 C ATOM 617 CD GLU A 42 -16.667 -10.729 -10.637 1.00 0.00 C ATOM 618 OE1 GLU A 42 -16.756 -9.696 -9.941 1.00 0.00 O ATOM 619 OE2 GLU A 42 -17.527 -11.021 -11.479 1.00 0.00 O ATOM 0 H GLU A 42 -12.827 -10.841 -9.237 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.270 -13.129 -11.058 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.078 -10.223 -11.133 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.503 -11.454 -12.306 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.822 -12.666 -10.671 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.247 -11.646 -9.368 1.00 0.00 H new ATOM 626 N THR A 43 -11.126 -10.724 -11.153 1.00 0.00 N ATOM 627 CA THR A 43 -9.888 -10.318 -11.666 1.00 0.00 C ATOM 628 C THR A 43 -8.774 -10.946 -10.821 1.00 0.00 C ATOM 629 O THR A 43 -8.864 -10.948 -9.569 1.00 0.00 O ATOM 630 CB THR A 43 -9.804 -8.784 -11.649 1.00 0.00 C ATOM 631 OG1 THR A 43 -10.614 -8.219 -12.701 1.00 0.00 O ATOM 632 CG2 THR A 43 -8.383 -8.260 -11.715 1.00 0.00 C ATOM 0 H THR A 43 -11.413 -10.198 -10.327 1.00 0.00 H new ATOM 0 HA THR A 43 -9.774 -10.650 -12.698 1.00 0.00 H new ATOM 0 HB THR A 43 -10.199 -8.463 -10.685 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.550 -7.241 -12.674 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.396 -7.170 -11.699 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.819 -8.629 -10.858 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.911 -8.604 -12.635 1.00 0.00 H new ATOM 640 N ALA A 44 -7.787 -11.537 -11.493 1.00 0.00 N ATOM 641 CA ALA A 44 -6.633 -12.134 -10.857 1.00 0.00 C ATOM 642 C ALA A 44 -5.954 -11.176 -9.913 1.00 0.00 C ATOM 643 O ALA A 44 -5.994 -9.941 -10.094 1.00 0.00 O ATOM 644 CB ALA A 44 -5.625 -12.614 -11.892 1.00 0.00 C ATOM 0 H ALA A 44 -7.775 -11.611 -12.510 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.999 -12.986 -10.284 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.768 -13.058 -11.386 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.092 -13.359 -12.537 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.293 -11.769 -12.495 1.00 0.00 H new ATOM 650 N VAL A 45 -5.337 -11.743 -8.919 1.00 0.00 N ATOM 651 CA VAL A 45 -4.587 -11.026 -7.916 1.00 0.00 C ATOM 652 C VAL A 45 -3.565 -10.136 -8.575 1.00 0.00 C ATOM 653 O VAL A 45 -3.543 -8.941 -8.343 1.00 0.00 O ATOM 654 CB VAL A 45 -3.795 -11.988 -7.024 1.00 0.00 C ATOM 655 CG1 VAL A 45 -2.943 -11.190 -6.057 1.00 0.00 C ATOM 656 CG2 VAL A 45 -4.782 -12.824 -6.254 1.00 0.00 C ATOM 0 H VAL A 45 -5.339 -12.753 -8.774 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.307 -10.456 -7.329 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.147 -12.624 -7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.379 -11.872 -5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.252 -10.559 -6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.585 -10.564 -5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.245 -13.520 -5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.411 -12.175 -5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.406 -13.383 -6.951 1.00 0.00 H new ATOM 666 N LYS A 46 -2.751 -10.743 -9.415 1.00 0.00 N ATOM 667 CA LYS A 46 -1.664 -10.045 -10.107 1.00 0.00 C ATOM 668 C LYS A 46 -2.160 -8.874 -10.937 1.00 0.00 C ATOM 669 O LYS A 46 -1.477 -7.894 -11.090 1.00 0.00 O ATOM 670 CB LYS A 46 -0.829 -10.995 -10.957 1.00 0.00 C ATOM 671 CG LYS A 46 -1.578 -11.723 -12.050 1.00 0.00 C ATOM 672 CD LYS A 46 -0.621 -12.570 -12.854 1.00 0.00 C ATOM 673 CE LYS A 46 -1.332 -13.353 -13.934 1.00 0.00 C ATOM 674 NZ LYS A 46 -0.385 -14.138 -14.745 1.00 0.00 N ATOM 0 H LYS A 46 -2.817 -11.735 -9.643 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.021 -9.639 -9.326 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.017 -10.428 -11.413 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.371 -11.735 -10.300 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.355 -12.351 -11.614 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.077 -11.005 -12.701 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.136 -11.931 -13.308 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.100 -13.259 -12.189 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.063 -14.021 -13.479 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.883 -12.668 -14.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.906 -14.663 -15.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.297 -13.498 -15.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.123 -14.808 -14.133 1.00 0.00 H new ATOM 688 N ASP A 47 -3.360 -8.968 -11.441 1.00 0.00 N ATOM 689 CA ASP A 47 -3.937 -7.882 -12.191 1.00 0.00 C ATOM 690 C ASP A 47 -4.333 -6.766 -11.261 1.00 0.00 C ATOM 691 O ASP A 47 -4.180 -5.599 -11.593 1.00 0.00 O ATOM 692 CB ASP A 47 -5.111 -8.321 -13.045 1.00 0.00 C ATOM 693 CG ASP A 47 -4.738 -9.035 -14.317 1.00 0.00 C ATOM 694 OD1 ASP A 47 -4.541 -8.369 -15.345 1.00 0.00 O ATOM 695 OD2 ASP A 47 -4.669 -10.275 -14.320 1.00 0.00 O ATOM 0 H ASP A 47 -3.960 -9.787 -11.347 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.174 -7.520 -12.880 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.748 -8.976 -12.451 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.705 -7.443 -13.299 1.00 0.00 H new ATOM 700 N HIS A 48 -4.825 -7.129 -10.079 1.00 0.00 N ATOM 701 CA HIS A 48 -5.120 -6.158 -9.036 1.00 0.00 C ATOM 702 C HIS A 48 -3.795 -5.486 -8.644 1.00 0.00 C ATOM 703 O HIS A 48 -3.739 -4.280 -8.434 1.00 0.00 O ATOM 704 CB HIS A 48 -5.756 -6.804 -7.790 1.00 0.00 C ATOM 705 CG HIS A 48 -7.114 -7.422 -7.924 1.00 0.00 C ATOM 706 ND1 HIS A 48 -7.532 -8.683 -7.660 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 -8.232 -6.736 -8.305 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 -8.876 -8.718 -7.876 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 -9.269 -7.530 -8.261 1.00 0.00 N flip ATOM 0 H HIS A 48 -5.028 -8.095 -9.822 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.843 -5.439 -9.421 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.074 -7.575 -7.431 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.813 -6.042 -7.013 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.255 -5.697 -8.598 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.512 -9.582 -7.751 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -10.228 -7.267 -8.489 1.00 0.00 H new ATOM 718 N ILE A 49 -2.766 -6.289 -8.591 1.00 0.00 N ATOM 719 CA ILE A 49 -1.442 -5.857 -8.252 1.00 0.00 C ATOM 720 C ILE A 49 -0.833 -4.967 -9.324 1.00 0.00 C ATOM 721 O ILE A 49 -0.258 -3.956 -8.985 1.00 0.00 O ATOM 722 CB ILE A 49 -0.560 -7.035 -7.812 1.00 0.00 C ATOM 723 CG1 ILE A 49 -1.142 -7.604 -6.521 1.00 0.00 C ATOM 724 CG2 ILE A 49 0.896 -6.601 -7.607 1.00 0.00 C ATOM 725 CD1 ILE A 49 -0.328 -8.695 -5.926 1.00 0.00 C ATOM 0 H ILE A 49 -2.830 -7.288 -8.788 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.510 -5.211 -7.376 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.553 -7.797 -8.592 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.242 -6.799 -5.793 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.146 -7.980 -6.720 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.491 -7.460 -7.296 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.292 -6.204 -8.542 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.941 -5.830 -6.837 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.805 -9.048 -5.012 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.249 -9.519 -6.636 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.669 -8.320 -5.693 1.00 0.00 H new ATOM 737 N LYS A 50 -1.005 -5.292 -10.618 1.00 0.00 N ATOM 738 CA LYS A 50 -0.535 -4.391 -11.676 1.00 0.00 C ATOM 739 C LYS A 50 -1.190 -3.013 -11.546 1.00 0.00 C ATOM 740 O LYS A 50 -0.552 -1.985 -11.811 1.00 0.00 O ATOM 741 CB LYS A 50 -0.769 -4.965 -13.083 1.00 0.00 C ATOM 742 CG LYS A 50 -0.004 -6.226 -13.391 1.00 0.00 C ATOM 743 CD LYS A 50 -0.256 -6.673 -14.814 1.00 0.00 C ATOM 744 CE LYS A 50 0.461 -7.976 -15.126 1.00 0.00 C ATOM 745 NZ LYS A 50 0.089 -8.514 -16.455 1.00 0.00 N ATOM 0 H LYS A 50 -1.453 -6.147 -10.947 1.00 0.00 H new ATOM 0 HA LYS A 50 0.542 -4.286 -11.546 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.834 -5.165 -13.205 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.500 -4.206 -13.818 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.062 -6.055 -13.242 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.300 -7.015 -12.699 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.327 -6.799 -14.972 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.079 -5.898 -15.504 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.538 -7.814 -15.090 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.224 -8.712 -14.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.602 -9.403 -16.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.935 -8.694 -16.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.339 -7.823 -17.191 1.00 0.00 H new ATOM 759 N VAL A 51 -2.447 -2.998 -11.107 1.00 0.00 N ATOM 760 CA VAL A 51 -3.174 -1.770 -10.876 1.00 0.00 C ATOM 761 C VAL A 51 -2.591 -1.030 -9.695 1.00 0.00 C ATOM 762 O VAL A 51 -2.246 0.142 -9.814 1.00 0.00 O ATOM 763 CB VAL A 51 -4.668 -1.987 -10.631 1.00 0.00 C ATOM 764 CG1 VAL A 51 -5.344 -0.671 -10.376 1.00 0.00 C ATOM 765 CG2 VAL A 51 -5.320 -2.713 -11.766 1.00 0.00 C ATOM 0 H VAL A 51 -2.983 -3.842 -10.904 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.071 -1.184 -11.789 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.775 -2.616 -9.748 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.407 -0.836 -10.203 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.902 -0.199 -9.498 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.214 -0.021 -11.242 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.380 -2.846 -11.551 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.205 -2.134 -12.682 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.850 -3.688 -11.892 1.00 0.00 H new ATOM 775 N LEU A 52 -2.490 -1.698 -8.571 1.00 0.00 N ATOM 776 CA LEU A 52 -1.908 -1.120 -7.375 1.00 0.00 C ATOM 777 C LEU A 52 -0.526 -0.594 -7.643 1.00 0.00 C ATOM 778 O LEU A 52 -0.237 0.535 -7.298 1.00 0.00 O ATOM 779 CB LEU A 52 -1.877 -2.166 -6.302 1.00 0.00 C ATOM 780 CG LEU A 52 -3.237 -2.582 -5.833 1.00 0.00 C ATOM 781 CD1 LEU A 52 -3.171 -3.941 -5.244 1.00 0.00 C ATOM 782 CD2 LEU A 52 -3.763 -1.588 -4.839 1.00 0.00 C ATOM 0 H LEU A 52 -2.809 -2.660 -8.456 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.517 -0.276 -7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.346 -3.042 -6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.309 -1.787 -5.453 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.921 -2.609 -6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.163 -4.239 -4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.818 -4.647 -5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.484 -3.938 -4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.752 -1.898 -4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.089 -1.537 -3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.830 -0.606 -5.307 1.00 0.00 H new ATOM 794 N LEU A 53 0.306 -1.392 -8.305 1.00 0.00 N ATOM 795 CA LEU A 53 1.630 -0.972 -8.662 1.00 0.00 C ATOM 796 C LEU A 53 1.565 0.279 -9.499 1.00 0.00 C ATOM 797 O LEU A 53 2.243 1.228 -9.215 1.00 0.00 O ATOM 798 CB LEU A 53 2.367 -2.081 -9.388 1.00 0.00 C ATOM 799 CG LEU A 53 2.607 -3.338 -8.581 1.00 0.00 C ATOM 800 CD1 LEU A 53 3.335 -4.334 -9.414 1.00 0.00 C ATOM 801 CD2 LEU A 53 3.372 -3.037 -7.312 1.00 0.00 C ATOM 0 H LEU A 53 0.071 -2.339 -8.601 1.00 0.00 H new ATOM 0 HA LEU A 53 2.187 -0.748 -7.752 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.801 -2.346 -10.281 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.330 -1.695 -9.723 1.00 0.00 H new ATOM 0 HG LEU A 53 1.643 -3.754 -8.289 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.507 -5.239 -8.831 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.740 -4.577 -10.294 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.292 -3.916 -9.727 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.529 -3.960 -6.754 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.337 -2.597 -7.564 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.803 -2.336 -6.701 1.00 0.00 H new ATOM 813 N THR A 54 0.697 0.285 -10.489 1.00 0.00 N ATOM 814 CA THR A 54 0.493 1.412 -11.295 1.00 0.00 C ATOM 815 C THR A 54 0.034 2.660 -10.523 1.00 0.00 C ATOM 816 O THR A 54 0.534 3.763 -10.755 1.00 0.00 O ATOM 817 CB THR A 54 -0.415 1.056 -12.487 1.00 0.00 C ATOM 818 OG1 THR A 54 0.215 0.119 -13.377 1.00 0.00 O ATOM 819 CG2 THR A 54 -0.942 2.236 -13.217 1.00 0.00 C ATOM 0 H THR A 54 0.118 -0.517 -10.739 1.00 0.00 H new ATOM 0 HA THR A 54 1.465 1.705 -11.692 1.00 0.00 H new ATOM 0 HB THR A 54 -1.288 0.570 -12.050 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.104 -0.790 -13.027 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.572 1.902 -14.042 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.531 2.852 -12.537 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.111 2.822 -13.609 1.00 0.00 H new ATOM 827 N HIS A 55 -0.844 2.472 -9.574 1.00 0.00 N ATOM 828 CA HIS A 55 -1.323 3.552 -8.745 1.00 0.00 C ATOM 829 C HIS A 55 -0.257 4.036 -7.744 1.00 0.00 C ATOM 830 O HIS A 55 -0.206 5.213 -7.409 1.00 0.00 O ATOM 831 CB HIS A 55 -2.654 3.146 -8.083 1.00 0.00 C ATOM 832 CG HIS A 55 -3.225 4.185 -7.165 1.00 0.00 C ATOM 833 ND1 HIS A 55 -4.114 5.141 -7.569 1.00 0.00 N ATOM 834 CD2 HIS A 55 -3.014 4.406 -5.852 1.00 0.00 C ATOM 835 CE1 HIS A 55 -4.420 5.912 -6.550 1.00 0.00 C ATOM 836 NE2 HIS A 55 -3.766 5.486 -5.498 1.00 0.00 N ATOM 0 H HIS A 55 -1.250 1.563 -9.351 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.522 4.420 -9.373 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.383 2.926 -8.863 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.501 2.225 -7.521 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.369 3.834 -5.202 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.096 6.754 -6.575 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.812 5.896 -4.565 1.00 0.00 H new ATOM 845 N PHE A 56 0.574 3.133 -7.283 1.00 0.00 N ATOM 846 CA PHE A 56 1.687 3.470 -6.408 1.00 0.00 C ATOM 847 C PHE A 56 2.896 3.929 -7.205 1.00 0.00 C ATOM 848 O PHE A 56 3.922 4.351 -6.641 1.00 0.00 O ATOM 849 CB PHE A 56 2.040 2.299 -5.529 1.00 0.00 C ATOM 850 CG PHE A 56 1.017 2.024 -4.481 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.732 2.985 -3.541 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.350 0.814 -4.426 1.00 0.00 C ATOM 853 CE1 PHE A 56 -0.196 2.755 -2.556 1.00 0.00 C ATOM 854 CE2 PHE A 56 -0.583 0.572 -3.440 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.851 1.550 -2.501 1.00 0.00 C ATOM 0 H PHE A 56 0.503 2.139 -7.501 1.00 0.00 H new ATOM 0 HA PHE A 56 1.376 4.299 -5.772 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.163 1.411 -6.149 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.000 2.489 -5.050 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.245 3.935 -3.578 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.562 0.052 -5.162 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.410 3.521 -1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.101 -0.375 -3.402 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.577 1.366 -1.723 1.00 0.00 H new ATOM 865 N LYS A 57 2.746 3.819 -8.502 1.00 0.00 N ATOM 866 CA LYS A 57 3.698 4.242 -9.518 1.00 0.00 C ATOM 867 C LYS A 57 4.953 3.393 -9.543 1.00 0.00 C ATOM 868 O LYS A 57 6.078 3.886 -9.587 1.00 0.00 O ATOM 869 CB LYS A 57 3.983 5.728 -9.434 1.00 0.00 C ATOM 870 CG LYS A 57 2.721 6.561 -9.585 1.00 0.00 C ATOM 871 CD LYS A 57 3.003 8.036 -9.749 1.00 0.00 C ATOM 872 CE LYS A 57 3.756 8.318 -11.040 1.00 0.00 C ATOM 873 NZ LYS A 57 3.046 7.797 -12.241 1.00 0.00 N ATOM 0 H LYS A 57 1.906 3.407 -8.909 1.00 0.00 H new ATOM 0 HA LYS A 57 3.223 4.072 -10.484 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.453 5.953 -8.477 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.695 6.005 -10.212 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.159 6.206 -10.449 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.088 6.413 -8.710 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.064 8.590 -9.745 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.587 8.393 -8.900 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.900 9.393 -11.145 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.747 7.868 -10.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.442 8.237 -13.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.166 6.765 -12.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.034 8.024 -12.172 1.00 0.00 H new ATOM 887 N ILE A 58 4.720 2.121 -9.495 1.00 0.00 N ATOM 888 CA ILE A 58 5.682 1.105 -9.614 1.00 0.00 C ATOM 889 C ILE A 58 5.420 0.387 -10.926 1.00 0.00 C ATOM 890 O ILE A 58 4.247 0.173 -11.277 1.00 0.00 O ATOM 891 CB ILE A 58 5.477 0.107 -8.477 1.00 0.00 C ATOM 892 CG1 ILE A 58 5.631 0.840 -7.169 1.00 0.00 C ATOM 893 CG2 ILE A 58 6.466 -1.066 -8.573 1.00 0.00 C ATOM 894 CD1 ILE A 58 5.247 0.028 -6.017 1.00 0.00 C ATOM 0 H ILE A 58 3.779 1.752 -9.361 1.00 0.00 H new ATOM 0 HA ILE A 58 6.691 1.515 -9.579 1.00 0.00 H new ATOM 0 HB ILE A 58 4.477 -0.321 -8.546 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.668 1.157 -7.055 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.022 1.744 -7.190 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.292 -1.757 -7.748 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.322 -1.587 -9.520 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.487 -0.687 -8.519 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.379 0.608 -5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.202 -0.267 -6.112 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.873 -0.863 -5.975 1.00 0.00 H new ATOM 906 N PRO A 59 6.446 0.086 -11.714 1.00 0.00 N ATOM 907 CA PRO A 59 6.294 -0.749 -12.903 1.00 0.00 C ATOM 908 C PRO A 59 5.648 -2.063 -12.570 1.00 0.00 C ATOM 909 O PRO A 59 5.998 -2.734 -11.581 1.00 0.00 O ATOM 910 CB PRO A 59 7.724 -0.971 -13.351 1.00 0.00 C ATOM 911 CG PRO A 59 8.441 0.221 -12.885 1.00 0.00 C ATOM 912 CD PRO A 59 7.828 0.573 -11.563 1.00 0.00 C ATOM 0 HA PRO A 59 5.661 -0.288 -13.661 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.140 -1.880 -12.917 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.789 -1.076 -14.434 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.507 0.021 -12.781 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.339 1.042 -13.595 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.342 0.086 -10.735 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.862 1.646 -11.372 1.00 0.00 H new ATOM 920 N VAL A 60 4.700 -2.432 -13.387 1.00 0.00 N ATOM 921 CA VAL A 60 3.951 -3.638 -13.217 1.00 0.00 C ATOM 922 C VAL A 60 4.790 -4.874 -13.330 1.00 0.00 C ATOM 923 O VAL A 60 4.327 -5.936 -13.023 1.00 0.00 O ATOM 924 CB VAL A 60 2.818 -3.735 -14.262 1.00 0.00 C ATOM 925 CG1 VAL A 60 1.823 -2.621 -14.082 1.00 0.00 C ATOM 926 CG2 VAL A 60 3.352 -3.754 -15.667 1.00 0.00 C ATOM 0 H VAL A 60 4.424 -1.889 -14.205 1.00 0.00 H new ATOM 0 HA VAL A 60 3.545 -3.587 -12.207 1.00 0.00 H new ATOM 0 HB VAL A 60 2.306 -4.683 -14.096 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.035 -2.712 -14.830 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.386 -2.681 -13.085 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.326 -1.661 -14.200 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.522 -3.823 -16.371 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.913 -2.838 -15.856 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.009 -4.614 -15.795 1.00 0.00 H new ATOM 936 N ASP A 61 6.031 -4.737 -13.767 1.00 0.00 N ATOM 937 CA ASP A 61 6.884 -5.902 -13.922 1.00 0.00 C ATOM 938 C ASP A 61 7.265 -6.476 -12.563 1.00 0.00 C ATOM 939 O ASP A 61 7.692 -7.621 -12.464 1.00 0.00 O ATOM 940 CB ASP A 61 8.145 -5.608 -14.750 1.00 0.00 C ATOM 941 CG ASP A 61 9.205 -4.850 -14.000 1.00 0.00 C ATOM 942 OD1 ASP A 61 9.036 -3.674 -13.726 1.00 0.00 O ATOM 943 OD2 ASP A 61 10.259 -5.420 -13.689 1.00 0.00 O ATOM 0 H ASP A 61 6.464 -3.848 -14.017 1.00 0.00 H new ATOM 0 HA ASP A 61 6.304 -6.642 -14.474 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.566 -6.551 -15.100 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.862 -5.038 -15.635 1.00 0.00 H new ATOM 948 N LYS A 62 7.068 -5.693 -11.497 1.00 0.00 N ATOM 949 CA LYS A 62 7.381 -6.154 -10.177 1.00 0.00 C ATOM 950 C LYS A 62 6.238 -6.951 -9.571 1.00 0.00 C ATOM 951 O LYS A 62 6.364 -7.459 -8.476 1.00 0.00 O ATOM 952 CB LYS A 62 7.812 -5.030 -9.234 1.00 0.00 C ATOM 953 CG LYS A 62 9.157 -4.399 -9.546 1.00 0.00 C ATOM 954 CD LYS A 62 9.002 -3.253 -10.497 1.00 0.00 C ATOM 955 CE LYS A 62 10.338 -2.703 -10.964 1.00 0.00 C ATOM 956 NZ LYS A 62 11.089 -3.670 -11.787 1.00 0.00 N ATOM 0 H LYS A 62 6.694 -4.745 -11.541 1.00 0.00 H new ATOM 0 HA LYS A 62 8.238 -6.817 -10.294 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.051 -4.250 -9.253 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.841 -5.422 -8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.623 -4.051 -8.624 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.823 -5.147 -9.977 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.424 -3.578 -11.362 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.434 -2.458 -10.014 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.171 -1.793 -11.540 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.937 -2.426 -10.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.977 -3.919 -11.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.517 -4.528 -11.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.303 -3.246 -12.712 1.00 0.00 H new ATOM 970 N VAL A 63 5.115 -7.029 -10.298 1.00 0.00 N ATOM 971 CA VAL A 63 3.899 -7.835 -9.959 1.00 0.00 C ATOM 972 C VAL A 63 4.303 -9.263 -9.543 1.00 0.00 C ATOM 973 O VAL A 63 3.691 -9.879 -8.674 1.00 0.00 O ATOM 974 CB VAL A 63 3.029 -7.849 -11.244 1.00 0.00 C ATOM 975 CG1 VAL A 63 3.465 -8.806 -12.344 1.00 0.00 C ATOM 976 CG2 VAL A 63 1.596 -8.058 -10.893 1.00 0.00 C ATOM 0 H VAL A 63 5.009 -6.519 -11.175 1.00 0.00 H new ATOM 0 HA VAL A 63 3.349 -7.410 -9.119 1.00 0.00 H new ATOM 0 HB VAL A 63 3.178 -6.864 -11.686 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.781 -8.725 -13.189 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.474 -8.552 -12.669 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.453 -9.827 -11.964 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.996 -8.066 -11.803 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.483 -9.011 -10.376 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.259 -7.250 -10.243 1.00 0.00 H new ATOM 986 N SER A 64 5.377 -9.705 -10.147 1.00 0.00 N ATOM 987 CA SER A 64 6.034 -10.952 -9.882 1.00 0.00 C ATOM 988 C SER A 64 6.413 -11.066 -8.396 1.00 0.00 C ATOM 989 O SER A 64 6.147 -12.070 -7.729 1.00 0.00 O ATOM 990 CB SER A 64 7.346 -10.917 -10.647 1.00 0.00 C ATOM 991 OG SER A 64 7.083 -10.714 -12.034 1.00 0.00 O ATOM 0 H SER A 64 5.841 -9.169 -10.880 1.00 0.00 H new ATOM 0 HA SER A 64 5.378 -11.776 -10.162 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.980 -10.117 -10.265 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.889 -11.851 -10.502 1.00 0.00 H new ATOM 0 HG SER A 64 7.259 -9.779 -12.267 1.00 0.00 H new ATOM 997 N SER A 65 6.997 -10.008 -7.890 1.00 0.00 N ATOM 998 CA SER A 65 7.537 -9.960 -6.576 1.00 0.00 C ATOM 999 C SER A 65 6.613 -9.252 -5.597 1.00 0.00 C ATOM 1000 O SER A 65 7.015 -8.936 -4.493 1.00 0.00 O ATOM 1001 CB SER A 65 8.881 -9.250 -6.610 1.00 0.00 C ATOM 1002 OG SER A 65 9.710 -9.800 -7.625 1.00 0.00 O ATOM 0 H SER A 65 7.107 -9.135 -8.406 1.00 0.00 H new ATOM 0 HA SER A 65 7.655 -10.987 -6.230 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.732 -8.186 -6.791 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.372 -9.343 -5.641 1.00 0.00 H new ATOM 0 HG SER A 65 10.570 -9.331 -7.635 1.00 0.00 H new ATOM 1008 N TYR A 66 5.394 -9.016 -5.977 1.00 0.00 N ATOM 1009 CA TYR A 66 4.468 -8.363 -5.098 1.00 0.00 C ATOM 1010 C TYR A 66 3.357 -9.280 -4.685 1.00 0.00 C ATOM 1011 O TYR A 66 2.905 -10.132 -5.473 1.00 0.00 O ATOM 1012 CB TYR A 66 3.937 -7.069 -5.685 1.00 0.00 C ATOM 1013 CG TYR A 66 4.810 -5.875 -5.410 1.00 0.00 C ATOM 1014 CD1 TYR A 66 4.645 -5.167 -4.245 1.00 0.00 C ATOM 1015 CD2 TYR A 66 5.782 -5.450 -6.299 1.00 0.00 C ATOM 1016 CE1 TYR A 66 5.398 -4.073 -3.954 1.00 0.00 C ATOM 1017 CE2 TYR A 66 6.564 -4.343 -6.026 1.00 0.00 C ATOM 1018 CZ TYR A 66 6.360 -3.649 -4.844 1.00 0.00 C ATOM 1019 OH TYR A 66 7.131 -2.542 -4.545 1.00 0.00 O ATOM 0 H TYR A 66 5.016 -9.266 -6.891 1.00 0.00 H new ATOM 0 HA TYR A 66 5.022 -8.097 -4.198 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.828 -7.187 -6.763 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.942 -6.880 -5.283 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.894 -5.489 -3.538 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.932 -5.992 -7.221 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.242 -3.538 -3.029 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.323 -4.024 -6.724 1.00 0.00 H new ATOM 0 HH TYR A 66 7.045 -2.331 -3.592 1.00 0.00 H new ATOM 1029 N ALA A 67 2.947 -9.132 -3.444 1.00 0.00 N ATOM 1030 CA ALA A 67 1.922 -9.943 -2.878 1.00 0.00 C ATOM 1031 C ALA A 67 1.151 -9.182 -1.842 1.00 0.00 C ATOM 1032 O ALA A 67 1.701 -8.304 -1.164 1.00 0.00 O ATOM 1033 CB ALA A 67 2.511 -11.176 -2.246 1.00 0.00 C ATOM 0 H ALA A 67 3.327 -8.435 -2.804 1.00 0.00 H new ATOM 0 HA ALA A 67 1.248 -10.234 -3.684 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.713 -11.783 -1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.042 -11.754 -3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.206 -10.885 -1.458 1.00 0.00 H new ATOM 1039 N LEU A 68 -0.111 -9.503 -1.745 1.00 0.00 N ATOM 1040 CA LEU A 68 -0.974 -8.949 -0.758 1.00 0.00 C ATOM 1041 C LEU A 68 -0.803 -9.735 0.521 1.00 0.00 C ATOM 1042 O LEU A 68 -0.905 -10.957 0.513 1.00 0.00 O ATOM 1043 CB LEU A 68 -2.419 -9.080 -1.242 1.00 0.00 C ATOM 1044 CG LEU A 68 -2.748 -8.380 -2.564 1.00 0.00 C ATOM 1045 CD1 LEU A 68 -4.158 -8.711 -2.985 1.00 0.00 C ATOM 1046 CD2 LEU A 68 -2.572 -6.867 -2.448 1.00 0.00 C ATOM 0 H LEU A 68 -0.569 -10.170 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.736 -7.899 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.652 -10.140 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.078 -8.683 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.053 -8.741 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.384 -8.209 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.255 -9.789 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.855 -8.374 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.813 -6.398 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.238 -6.481 -1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.539 -6.640 -2.183 1.00 0.00 H new ATOM 1058 N GLN A 69 -0.512 -9.063 1.575 1.00 0.00 N ATOM 1059 CA GLN A 69 -0.325 -9.685 2.863 1.00 0.00 C ATOM 1060 C GLN A 69 -1.438 -9.266 3.815 1.00 0.00 C ATOM 1061 O GLN A 69 -1.982 -8.168 3.700 1.00 0.00 O ATOM 1062 CB GLN A 69 1.058 -9.298 3.447 1.00 0.00 C ATOM 1063 CG GLN A 69 1.237 -9.634 4.922 1.00 0.00 C ATOM 1064 CD GLN A 69 2.521 -9.121 5.522 1.00 0.00 C ATOM 1065 OE1 GLN A 69 2.590 -7.990 5.988 1.00 0.00 O ATOM 1066 NE2 GLN A 69 3.517 -9.957 5.581 1.00 0.00 N ATOM 0 H GLN A 69 -0.392 -8.050 1.582 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.361 -10.767 2.740 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.835 -9.805 2.875 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.209 -8.227 3.310 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.397 -9.221 5.481 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.200 -10.717 5.043 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.423 -10.891 5.182 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.391 -9.678 6.026 1.00 0.00 H new ATOM 1075 N ASN A 70 -1.793 -10.160 4.703 1.00 0.00 N ATOM 1076 CA ASN A 70 -2.729 -9.879 5.767 1.00 0.00 C ATOM 1077 C ASN A 70 -1.983 -9.126 6.864 1.00 0.00 C ATOM 1078 O ASN A 70 -0.939 -9.586 7.311 1.00 0.00 O ATOM 1079 CB ASN A 70 -3.244 -11.178 6.361 1.00 0.00 C ATOM 1080 CG ASN A 70 -4.280 -10.953 7.454 1.00 0.00 C ATOM 1081 OD1 ASN A 70 -3.932 -10.765 8.620 1.00 0.00 O ATOM 1082 ND2 ASN A 70 -5.533 -10.986 7.104 1.00 0.00 N ATOM 0 H ASN A 70 -1.437 -11.116 4.709 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.564 -9.297 5.376 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.683 -11.786 5.570 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.407 -11.743 6.770 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.262 -10.854 7.805 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.786 -11.144 6.129 1.00 0.00 H new ATOM 1089 N PRO A 71 -2.510 -8.001 7.337 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.834 -7.164 8.341 1.00 0.00 C ATOM 1091 C PRO A 71 -1.625 -7.827 9.711 1.00 0.00 C ATOM 1092 O PRO A 71 -0.752 -7.405 10.466 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.758 -5.961 8.482 1.00 0.00 C ATOM 1094 CG PRO A 71 -4.086 -6.437 8.021 1.00 0.00 C ATOM 1095 CD PRO A 71 -3.808 -7.427 6.937 1.00 0.00 C ATOM 0 HA PRO A 71 -0.821 -6.934 8.012 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.800 -5.615 9.515 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.409 -5.123 7.879 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.642 -6.897 8.838 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.691 -5.610 7.650 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.585 -8.189 6.877 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.754 -6.950 5.959 1.00 0.00 H new ATOM 1103 N PHE A 72 -2.383 -8.857 10.032 1.00 0.00 N ATOM 1104 CA PHE A 72 -2.267 -9.432 11.348 1.00 0.00 C ATOM 1105 C PHE A 72 -1.499 -10.722 11.332 1.00 0.00 C ATOM 1106 O PHE A 72 -0.608 -10.949 12.154 1.00 0.00 O ATOM 1107 CB PHE A 72 -3.630 -9.672 11.984 1.00 0.00 C ATOM 1108 CG PHE A 72 -4.435 -8.423 12.181 1.00 0.00 C ATOM 1109 CD1 PHE A 72 -4.201 -7.594 13.266 1.00 0.00 C ATOM 1110 CD2 PHE A 72 -5.422 -8.072 11.274 1.00 0.00 C ATOM 1111 CE1 PHE A 72 -4.936 -6.441 13.441 1.00 0.00 C ATOM 1112 CE2 PHE A 72 -6.159 -6.923 11.445 1.00 0.00 C ATOM 1113 CZ PHE A 72 -5.917 -6.106 12.529 1.00 0.00 C ATOM 0 H PHE A 72 -3.066 -9.299 9.417 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.720 -8.703 11.946 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.196 -10.363 11.359 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.489 -10.158 12.949 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.435 -7.854 13.982 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.615 -8.708 10.423 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.745 -5.801 14.290 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.926 -6.661 10.731 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.495 -5.204 12.665 1.00 0.00 H new ATOM 1123 N THR A 73 -1.815 -11.539 10.395 1.00 0.00 N ATOM 1124 CA THR A 73 -1.270 -12.872 10.327 1.00 0.00 C ATOM 1125 C THR A 73 0.022 -12.888 9.527 1.00 0.00 C ATOM 1126 O THR A 73 0.854 -13.807 9.662 1.00 0.00 O ATOM 1127 CB THR A 73 -2.278 -13.796 9.666 1.00 0.00 C ATOM 1128 OG1 THR A 73 -2.465 -13.385 8.305 1.00 0.00 O ATOM 1129 CG2 THR A 73 -3.612 -13.730 10.390 1.00 0.00 C ATOM 0 H THR A 73 -2.463 -11.313 9.641 1.00 0.00 H new ATOM 0 HA THR A 73 -1.058 -13.211 11.341 1.00 0.00 H new ATOM 0 HB THR A 73 -1.902 -14.818 9.707 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.113 -13.978 7.870 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.323 -14.398 9.904 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.478 -14.035 11.428 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.993 -12.709 10.359 1.00 0.00 H new ATOM 1137 N LEU A 74 0.190 -11.857 8.709 1.00 0.00 N ATOM 1138 CA LEU A 74 1.315 -11.695 7.809 1.00 0.00 C ATOM 1139 C LEU A 74 1.308 -12.730 6.710 1.00 0.00 C ATOM 1140 O LEU A 74 2.306 -12.916 6.014 1.00 0.00 O ATOM 1141 CB LEU A 74 2.656 -11.655 8.539 1.00 0.00 C ATOM 1142 CG LEU A 74 2.811 -10.582 9.585 1.00 0.00 C ATOM 1143 CD1 LEU A 74 4.264 -10.309 9.832 1.00 0.00 C ATOM 1144 CD2 LEU A 74 2.052 -9.318 9.227 1.00 0.00 C ATOM 0 H LEU A 74 -0.477 -11.087 8.655 1.00 0.00 H new ATOM 0 HA LEU A 74 1.192 -10.719 7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.817 -12.623 9.014 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.446 -11.529 7.798 1.00 0.00 H new ATOM 0 HG LEU A 74 2.368 -10.949 10.511 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.365 -9.532 10.590 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.751 -11.220 10.180 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.734 -9.976 8.907 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.194 -8.574 10.011 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.425 -8.925 8.281 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.990 -9.546 9.131 1.00 0.00 H new ATOM 1156 N ALA A 75 0.164 -13.359 6.514 1.00 0.00 N ATOM 1157 CA ALA A 75 0.030 -14.345 5.493 1.00 0.00 C ATOM 1158 C ALA A 75 -0.119 -13.671 4.171 1.00 0.00 C ATOM 1159 O ALA A 75 -0.820 -12.659 4.061 1.00 0.00 O ATOM 1160 CB ALA A 75 -1.178 -15.211 5.753 1.00 0.00 C ATOM 0 H ALA A 75 -0.682 -13.193 7.059 1.00 0.00 H new ATOM 0 HA ALA A 75 0.920 -14.974 5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.266 -15.959 4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.067 -15.710 6.716 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.074 -14.591 5.767 1.00 0.00 H new ATOM 1166 N TYR A 76 0.515 -14.202 3.191 1.00 0.00 N ATOM 1167 CA TYR A 76 0.459 -13.653 1.881 1.00 0.00 C ATOM 1168 C TYR A 76 -0.570 -14.369 1.083 1.00 0.00 C ATOM 1169 O TYR A 76 -0.943 -15.503 1.396 1.00 0.00 O ATOM 1170 CB TYR A 76 1.789 -13.745 1.195 1.00 0.00 C ATOM 1171 CG TYR A 76 2.819 -12.829 1.752 1.00 0.00 C ATOM 1172 CD1 TYR A 76 3.576 -13.182 2.841 1.00 0.00 C ATOM 1173 CD2 TYR A 76 3.047 -11.619 1.156 1.00 0.00 C ATOM 1174 CE1 TYR A 76 4.548 -12.342 3.324 1.00 0.00 C ATOM 1175 CE2 TYR A 76 4.008 -10.756 1.619 1.00 0.00 C ATOM 1176 CZ TYR A 76 4.765 -11.128 2.711 1.00 0.00 C ATOM 1177 OH TYR A 76 5.749 -10.295 3.192 1.00 0.00 O ATOM 0 H TYR A 76 1.094 -15.038 3.273 1.00 0.00 H new ATOM 0 HA TYR A 76 0.194 -12.599 1.964 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.153 -14.770 1.265 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.656 -13.525 0.136 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.405 -14.133 3.324 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.455 -11.335 0.298 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.139 -12.631 4.180 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.169 -9.803 1.137 1.00 0.00 H new ATOM 0 HH TYR A 76 6.584 -10.799 3.293 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.082 -13.705 0.127 1.00 0.00 N ATOM 1188 CA VAL A 77 -2.002 -14.271 -0.780 1.00 0.00 C ATOM 1189 C VAL A 77 -1.226 -14.831 -1.972 1.00 0.00 C ATOM 1190 O VAL A 77 -0.637 -14.077 -2.756 1.00 0.00 O ATOM 1191 CB VAL A 77 -3.036 -13.197 -1.238 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -4.022 -13.774 -2.238 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -3.783 -12.621 -0.022 1.00 0.00 C ATOM 0 H VAL A 77 -0.869 -12.724 -0.055 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.556 -15.078 -0.300 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.489 -12.393 -1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.730 -13.001 -2.538 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.483 -14.133 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.562 -14.603 -1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.501 -11.873 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.309 -13.423 0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.068 -12.158 0.659 1.00 0.00 H new ATOM 1203 N GLU A 78 -1.197 -16.152 -2.072 1.00 0.00 N ATOM 1204 CA GLU A 78 -0.518 -16.853 -3.161 1.00 0.00 C ATOM 1205 C GLU A 78 -1.521 -17.340 -4.181 1.00 0.00 C ATOM 1206 O GLU A 78 -1.201 -18.129 -5.077 1.00 0.00 O ATOM 1207 CB GLU A 78 0.310 -18.033 -2.679 1.00 0.00 C ATOM 1208 CG GLU A 78 1.756 -17.753 -2.256 1.00 0.00 C ATOM 1209 CD GLU A 78 1.901 -16.870 -1.053 1.00 0.00 C ATOM 1210 OE1 GLU A 78 1.416 -17.250 0.037 1.00 0.00 O ATOM 1211 OE2 GLU A 78 2.537 -15.799 -1.172 1.00 0.00 O ATOM 0 H GLU A 78 -1.645 -16.774 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 78 0.162 -16.131 -3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.207 -18.484 -1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.330 -18.778 -3.474 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.251 -18.703 -2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.281 -17.292 -3.093 1.00 0.00 H new ATOM 1218 N ASP A 79 -2.727 -16.859 -4.042 1.00 0.00 N ATOM 1219 CA ASP A 79 -3.797 -17.181 -4.912 1.00 0.00 C ATOM 1220 C ASP A 79 -3.644 -16.486 -6.227 1.00 0.00 C ATOM 1221 O ASP A 79 -2.967 -15.468 -6.348 1.00 0.00 O ATOM 1222 CB ASP A 79 -5.139 -16.731 -4.328 1.00 0.00 C ATOM 1223 CG ASP A 79 -5.559 -17.443 -3.051 1.00 0.00 C ATOM 1224 OD1 ASP A 79 -5.046 -17.107 -1.965 1.00 0.00 O ATOM 1225 OD2 ASP A 79 -6.438 -18.338 -3.117 1.00 0.00 O ATOM 0 H ASP A 79 -2.987 -16.215 -3.295 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.777 -18.263 -5.040 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.090 -15.660 -4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.913 -16.881 -5.080 1.00 0.00 H new ATOM 1230 N SER A 80 -4.260 -17.050 -7.191 1.00 0.00 N ATOM 1231 CA SER A 80 -4.347 -16.509 -8.483 1.00 0.00 C ATOM 1232 C SER A 80 -5.448 -15.481 -8.528 1.00 0.00 C ATOM 1233 O SER A 80 -5.326 -14.436 -9.160 1.00 0.00 O ATOM 1234 CB SER A 80 -4.648 -17.611 -9.432 1.00 0.00 C ATOM 1235 OG SER A 80 -3.648 -18.618 -9.390 1.00 0.00 O ATOM 0 H SER A 80 -4.740 -17.945 -7.093 1.00 0.00 H new ATOM 0 HA SER A 80 -3.407 -16.029 -8.755 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.617 -18.048 -9.189 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.723 -17.212 -10.444 1.00 0.00 H new ATOM 0 HG SER A 80 -3.874 -19.330 -10.024 1.00 0.00 H new ATOM 1241 N PHE A 81 -6.507 -15.781 -7.843 1.00 0.00 N ATOM 1242 CA PHE A 81 -7.650 -14.950 -7.739 1.00 0.00 C ATOM 1243 C PHE A 81 -8.016 -14.815 -6.287 1.00 0.00 C ATOM 1244 O PHE A 81 -7.793 -15.727 -5.503 1.00 0.00 O ATOM 1245 CB PHE A 81 -8.798 -15.576 -8.489 1.00 0.00 C ATOM 1246 CG PHE A 81 -8.718 -15.469 -9.983 1.00 0.00 C ATOM 1247 CD1 PHE A 81 -7.810 -16.223 -10.692 1.00 0.00 C ATOM 1248 CD2 PHE A 81 -9.545 -14.603 -10.672 1.00 0.00 C ATOM 1249 CE1 PHE A 81 -7.718 -16.121 -12.061 1.00 0.00 C ATOM 1250 CE2 PHE A 81 -9.462 -14.495 -12.044 1.00 0.00 C ATOM 1251 CZ PHE A 81 -8.548 -15.253 -12.740 1.00 0.00 C ATOM 0 H PHE A 81 -6.595 -16.652 -7.320 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.437 -13.969 -8.164 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.856 -16.630 -8.219 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.726 -15.110 -8.156 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.160 -16.905 -10.165 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -10.263 -14.005 -10.131 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.999 -16.718 -12.602 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -10.114 -13.816 -12.573 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.481 -15.169 -13.815 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.570 -13.705 -5.939 1.00 0.00 N ATOM 1262 CA LEU A 82 -8.994 -13.442 -4.586 1.00 0.00 C ATOM 1263 C LEU A 82 -10.311 -14.109 -4.319 1.00 0.00 C ATOM 1264 O LEU A 82 -11.082 -14.397 -5.241 1.00 0.00 O ATOM 1265 CB LEU A 82 -9.125 -11.950 -4.386 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.808 -11.246 -4.072 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -7.993 -9.754 -4.004 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -7.242 -11.777 -2.750 1.00 0.00 C ATOM 0 H LEU A 82 -8.748 -12.937 -6.587 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.253 -13.840 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.554 -11.510 -5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.827 -11.763 -3.574 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.102 -11.456 -4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.038 -9.279 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.363 -9.389 -4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.712 -9.512 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.302 -11.273 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.954 -11.587 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.067 -12.850 -2.834 1.00 0.00 H new ATOM 1280 N THR A 83 -10.549 -14.379 -3.084 1.00 0.00 N ATOM 1281 CA THR A 83 -11.756 -14.961 -2.675 1.00 0.00 C ATOM 1282 C THR A 83 -12.541 -13.912 -1.922 1.00 0.00 C ATOM 1283 O THR A 83 -11.935 -12.970 -1.376 1.00 0.00 O ATOM 1284 CB THR A 83 -11.486 -16.166 -1.747 1.00 0.00 C ATOM 1285 OG1 THR A 83 -10.763 -15.726 -0.591 1.00 0.00 O ATOM 1286 CG2 THR A 83 -10.660 -17.219 -2.455 1.00 0.00 C ATOM 0 H THR A 83 -9.893 -14.195 -2.325 1.00 0.00 H new ATOM 0 HA THR A 83 -12.312 -15.315 -3.543 1.00 0.00 H new ATOM 0 HB THR A 83 -12.446 -16.596 -1.460 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.593 -16.490 -0.001 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.483 -18.057 -1.781 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.196 -17.570 -3.337 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.705 -16.789 -2.758 1.00 0.00 H new ATOM 1294 N PRO A 84 -13.876 -14.009 -1.902 1.00 0.00 N ATOM 1295 CA PRO A 84 -14.715 -13.131 -1.093 1.00 0.00 C ATOM 1296 C PRO A 84 -14.268 -13.162 0.359 1.00 0.00 C ATOM 1297 O PRO A 84 -14.245 -12.138 1.022 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.125 -13.719 -1.235 1.00 0.00 C ATOM 1299 CG PRO A 84 -15.939 -15.040 -1.904 1.00 0.00 C ATOM 1300 CD PRO A 84 -14.680 -14.942 -2.695 1.00 0.00 C ATOM 0 HA PRO A 84 -14.663 -12.090 -1.412 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.602 -13.835 -0.262 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.765 -13.065 -1.827 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.873 -15.841 -1.168 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.786 -15.270 -2.550 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.191 -15.910 -2.800 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.862 -14.566 -3.702 1.00 0.00 H new ATOM 1308 N GLU A 85 -13.865 -14.341 0.830 1.00 0.00 N ATOM 1309 CA GLU A 85 -13.361 -14.500 2.169 1.00 0.00 C ATOM 1310 C GLU A 85 -12.116 -13.632 2.394 1.00 0.00 C ATOM 1311 O GLU A 85 -12.014 -12.960 3.414 1.00 0.00 O ATOM 1312 CB GLU A 85 -13.026 -15.953 2.500 1.00 0.00 C ATOM 1313 CG GLU A 85 -14.131 -16.979 2.287 1.00 0.00 C ATOM 1314 CD GLU A 85 -14.124 -17.539 0.891 1.00 0.00 C ATOM 1315 OE1 GLU A 85 -13.208 -18.326 0.576 1.00 0.00 O ATOM 1316 OE2 GLU A 85 -15.020 -17.233 0.099 1.00 0.00 O ATOM 0 H GLU A 85 -13.883 -15.204 0.286 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.161 -14.177 2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.167 -16.249 1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.715 -16.001 3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.013 -17.792 3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.098 -16.516 2.486 1.00 0.00 H new ATOM 1323 N ARG A 86 -11.189 -13.634 1.418 1.00 0.00 N ATOM 1324 CA ARG A 86 -9.968 -12.823 1.494 1.00 0.00 C ATOM 1325 C ARG A 86 -10.320 -11.369 1.555 1.00 0.00 C ATOM 1326 O ARG A 86 -9.733 -10.622 2.313 1.00 0.00 O ATOM 1327 CB ARG A 86 -9.029 -13.106 0.345 1.00 0.00 C ATOM 1328 CG ARG A 86 -8.118 -14.319 0.479 1.00 0.00 C ATOM 1329 CD ARG A 86 -7.046 -14.084 1.518 1.00 0.00 C ATOM 1330 NE ARG A 86 -7.528 -14.147 2.880 1.00 0.00 N ATOM 1331 CZ ARG A 86 -6.820 -13.798 3.952 1.00 0.00 C ATOM 1332 NH1 ARG A 86 -5.506 -13.612 3.864 1.00 0.00 N ATOM 1333 NH2 ARG A 86 -7.418 -13.673 5.109 1.00 0.00 N ATOM 0 H ARG A 86 -11.266 -14.191 0.567 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.441 -13.097 2.408 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.627 -13.229 -0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.402 -12.227 0.195 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.709 -15.193 0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.654 -14.537 -0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.258 -14.825 1.387 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.596 -13.106 1.347 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.479 -14.483 3.030 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.032 -13.737 2.969 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.972 -13.345 4.691 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.421 -13.843 5.186 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.881 -13.406 5.934 1.00 0.00 H new ATOM 1347 N LEU A 87 -11.298 -11.000 0.781 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.762 -9.646 0.713 1.00 0.00 C ATOM 1349 C LEU A 87 -12.390 -9.229 2.025 1.00 0.00 C ATOM 1350 O LEU A 87 -12.111 -8.173 2.533 1.00 0.00 O ATOM 1351 CB LEU A 87 -12.760 -9.502 -0.415 1.00 0.00 C ATOM 1352 CG LEU A 87 -12.294 -9.936 -1.783 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -13.381 -9.685 -2.810 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -11.021 -9.211 -2.144 1.00 0.00 C ATOM 0 H LEU A 87 -11.803 -11.641 0.170 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.910 -8.994 0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.650 -10.077 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.062 -8.456 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.086 -11.006 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.033 -10.002 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.273 -10.250 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.619 -8.622 -2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.689 -9.528 -3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.204 -8.136 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.249 -9.444 -1.410 1.00 0.00 H new ATOM 1366 N VAL A 88 -13.236 -10.066 2.541 1.00 0.00 N ATOM 1367 CA VAL A 88 -13.875 -9.861 3.778 1.00 0.00 C ATOM 1368 C VAL A 88 -12.938 -9.798 4.963 1.00 0.00 C ATOM 1369 O VAL A 88 -13.034 -8.883 5.788 1.00 0.00 O ATOM 1370 CB VAL A 88 -15.056 -10.821 3.915 1.00 0.00 C ATOM 1371 CG1 VAL A 88 -15.522 -10.817 5.314 1.00 0.00 C ATOM 1372 CG2 VAL A 88 -16.189 -10.543 2.976 1.00 0.00 C ATOM 0 H VAL A 88 -13.502 -10.939 2.085 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.289 -8.853 3.786 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.693 -11.810 3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.365 -11.500 5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.711 -11.138 5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.835 -9.810 5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -16.984 -11.270 3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -16.573 -9.539 3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -15.836 -10.618 1.948 1.00 0.00 H new ATOM 1382 N GLU A 89 -12.017 -10.719 5.036 1.00 0.00 N ATOM 1383 CA GLU A 89 -11.006 -10.664 6.070 1.00 0.00 C ATOM 1384 C GLU A 89 -10.125 -9.429 5.923 1.00 0.00 C ATOM 1385 O GLU A 89 -9.626 -8.883 6.896 1.00 0.00 O ATOM 1386 CB GLU A 89 -10.202 -11.905 6.075 1.00 0.00 C ATOM 1387 CG GLU A 89 -10.933 -13.132 6.549 1.00 0.00 C ATOM 1388 CD GLU A 89 -10.058 -14.332 6.484 1.00 0.00 C ATOM 1389 OE1 GLU A 89 -9.869 -14.878 5.373 1.00 0.00 O ATOM 1390 OE2 GLU A 89 -9.493 -14.737 7.514 1.00 0.00 O ATOM 0 H GLU A 89 -11.940 -11.513 4.400 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.511 -10.584 7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.834 -12.086 5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.329 -11.752 6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.276 -12.983 7.573 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.820 -13.291 5.936 1.00 0.00 H new ATOM 1397 N ALA A 90 -9.933 -9.013 4.703 1.00 0.00 N ATOM 1398 CA ALA A 90 -9.182 -7.779 4.429 1.00 0.00 C ATOM 1399 C ALA A 90 -10.000 -6.503 4.740 1.00 0.00 C ATOM 1400 O ALA A 90 -9.441 -5.517 5.222 1.00 0.00 O ATOM 1401 CB ALA A 90 -8.652 -7.753 3.025 1.00 0.00 C ATOM 0 H ALA A 90 -10.277 -9.495 3.872 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.330 -7.782 5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.103 -6.826 2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.985 -8.602 2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.482 -7.813 2.321 1.00 0.00 H new ATOM 1407 N GLU A 91 -11.319 -6.526 4.468 1.00 0.00 N ATOM 1408 CA GLU A 91 -12.229 -5.389 4.759 1.00 0.00 C ATOM 1409 C GLU A 91 -12.206 -5.006 6.227 1.00 0.00 C ATOM 1410 O GLU A 91 -12.522 -3.874 6.592 1.00 0.00 O ATOM 1411 CB GLU A 91 -13.633 -5.674 4.303 1.00 0.00 C ATOM 1412 CG GLU A 91 -13.936 -5.280 2.883 1.00 0.00 C ATOM 1413 CD GLU A 91 -14.101 -3.789 2.717 1.00 0.00 C ATOM 1414 OE1 GLU A 91 -13.118 -3.077 2.572 1.00 0.00 O ATOM 1415 OE2 GLU A 91 -15.256 -3.304 2.737 1.00 0.00 O ATOM 0 H GLU A 91 -11.787 -7.326 4.043 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.858 -4.536 4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.826 -6.741 4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.326 -5.153 4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.132 -5.627 2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.848 -5.781 2.557 1.00 0.00 H new ATOM 1422 N LYS A 92 -11.854 -5.962 7.039 1.00 0.00 N ATOM 1423 CA LYS A 92 -11.643 -5.795 8.447 1.00 0.00 C ATOM 1424 C LYS A 92 -10.606 -4.717 8.760 1.00 0.00 C ATOM 1425 O LYS A 92 -10.713 -4.009 9.761 1.00 0.00 O ATOM 1426 CB LYS A 92 -11.183 -7.095 8.960 1.00 0.00 C ATOM 1427 CG LYS A 92 -12.323 -8.061 8.948 1.00 0.00 C ATOM 1428 CD LYS A 92 -11.926 -9.366 9.473 1.00 0.00 C ATOM 1429 CE LYS A 92 -13.122 -10.278 9.581 1.00 0.00 C ATOM 1430 NZ LYS A 92 -14.068 -9.791 10.606 1.00 0.00 N ATOM 0 H LYS A 92 -11.700 -6.920 6.723 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.571 -5.471 8.918 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.365 -7.472 8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.796 -6.983 9.973 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -13.145 -7.663 9.543 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.694 -8.175 7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -11.177 -9.815 8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -11.464 -9.245 10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -13.625 -10.339 8.616 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -12.794 -11.286 9.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.653 -10.582 10.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -13.537 -9.389 11.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -14.680 -9.058 10.193 1.00 0.00 H new ATOM 1444 N SER A 93 -9.587 -4.614 7.921 1.00 0.00 N ATOM 1445 CA SER A 93 -8.552 -3.627 8.097 1.00 0.00 C ATOM 1446 C SER A 93 -7.960 -3.090 6.773 1.00 0.00 C ATOM 1447 O SER A 93 -8.418 -2.067 6.251 1.00 0.00 O ATOM 1448 CB SER A 93 -7.493 -4.129 9.051 1.00 0.00 C ATOM 1449 OG SER A 93 -8.044 -4.372 10.350 1.00 0.00 O ATOM 0 H SER A 93 -9.461 -5.213 7.105 1.00 0.00 H new ATOM 0 HA SER A 93 -9.027 -2.756 8.548 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.054 -5.047 8.661 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.689 -3.397 9.125 1.00 0.00 H new ATOM 0 HG SER A 93 -7.433 -4.941 10.863 1.00 0.00 H new ATOM 1455 N TYR A 94 -6.991 -3.789 6.230 1.00 0.00 N ATOM 1456 CA TYR A 94 -6.293 -3.413 5.010 1.00 0.00 C ATOM 1457 C TYR A 94 -5.621 -4.664 4.416 1.00 0.00 C ATOM 1458 O TYR A 94 -5.720 -5.754 4.982 1.00 0.00 O ATOM 1459 CB TYR A 94 -5.130 -2.380 5.249 1.00 0.00 C ATOM 1460 CG TYR A 94 -4.145 -2.519 6.355 1.00 0.00 C ATOM 1461 CD1 TYR A 94 -4.557 -2.496 7.655 1.00 0.00 C ATOM 1462 CD2 TYR A 94 -2.789 -2.575 6.091 1.00 0.00 C ATOM 1463 CE1 TYR A 94 -3.657 -2.543 8.697 1.00 0.00 C ATOM 1464 CE2 TYR A 94 -1.879 -2.610 7.105 1.00 0.00 C ATOM 1465 CZ TYR A 94 -2.308 -2.597 8.414 1.00 0.00 C ATOM 1466 OH TYR A 94 -1.389 -2.626 9.441 1.00 0.00 O ATOM 0 H TYR A 94 -6.652 -4.663 6.633 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.043 -2.966 4.358 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.555 -2.340 4.324 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.601 -1.405 5.373 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.613 -2.440 7.873 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.446 -2.591 5.067 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.003 -2.538 9.720 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.823 -2.648 6.883 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.483 -2.665 9.069 1.00 0.00 H new ATOM 1476 N PHE A 95 -4.927 -4.468 3.313 1.00 0.00 N ATOM 1477 CA PHE A 95 -4.034 -5.454 2.687 1.00 0.00 C ATOM 1478 C PHE A 95 -2.671 -4.833 2.681 1.00 0.00 C ATOM 1479 O PHE A 95 -2.577 -3.629 2.634 1.00 0.00 O ATOM 1480 CB PHE A 95 -4.389 -5.746 1.215 1.00 0.00 C ATOM 1481 CG PHE A 95 -5.272 -6.930 0.946 1.00 0.00 C ATOM 1482 CD1 PHE A 95 -4.919 -8.192 1.406 1.00 0.00 C ATOM 1483 CD2 PHE A 95 -6.415 -6.797 0.176 1.00 0.00 C ATOM 1484 CE1 PHE A 95 -5.695 -9.297 1.107 1.00 0.00 C ATOM 1485 CE2 PHE A 95 -7.201 -7.897 -0.122 1.00 0.00 C ATOM 1486 CZ PHE A 95 -6.840 -9.150 0.344 1.00 0.00 C ATOM 0 H PHE A 95 -4.963 -3.587 2.799 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.110 -6.389 3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.874 -4.862 0.802 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.459 -5.886 0.664 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.028 -8.312 2.004 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.697 -5.823 -0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.408 -10.273 1.469 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.094 -7.778 -0.717 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.451 -10.010 0.113 1.00 0.00 H new ATOM 1496 N ILE A 96 -1.630 -5.606 2.768 1.00 0.00 N ATOM 1497 CA ILE A 96 -0.302 -5.039 2.689 1.00 0.00 C ATOM 1498 C ILE A 96 0.433 -5.574 1.454 1.00 0.00 C ATOM 1499 O ILE A 96 0.864 -6.709 1.426 1.00 0.00 O ATOM 1500 CB ILE A 96 0.537 -5.299 3.932 1.00 0.00 C ATOM 1501 CG1 ILE A 96 -0.267 -4.982 5.183 1.00 0.00 C ATOM 1502 CG2 ILE A 96 1.761 -4.419 3.875 1.00 0.00 C ATOM 1503 CD1 ILE A 96 0.538 -5.036 6.446 1.00 0.00 C ATOM 0 H ILE A 96 -1.664 -6.618 2.892 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.435 -3.960 2.611 1.00 0.00 H new ATOM 0 HB ILE A 96 0.830 -6.348 3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.702 -3.988 5.082 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.095 -5.686 5.260 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.375 -4.592 4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.338 -4.655 2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.456 -3.373 3.844 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.102 -4.799 7.296 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.952 -6.037 6.571 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.351 -4.312 6.391 1.00 0.00 H new ATOM 1515 N LEU A 97 0.486 -4.768 0.432 1.00 0.00 N ATOM 1516 CA LEU A 97 1.153 -5.091 -0.808 1.00 0.00 C ATOM 1517 C LEU A 97 2.652 -4.875 -0.612 1.00 0.00 C ATOM 1518 O LEU A 97 3.136 -3.745 -0.563 1.00 0.00 O ATOM 1519 CB LEU A 97 0.566 -4.170 -1.912 1.00 0.00 C ATOM 1520 CG LEU A 97 0.646 -4.598 -3.396 1.00 0.00 C ATOM 1521 CD1 LEU A 97 1.500 -3.676 -4.222 1.00 0.00 C ATOM 1522 CD2 LEU A 97 1.060 -6.041 -3.560 1.00 0.00 C ATOM 0 H LEU A 97 0.057 -3.843 0.433 1.00 0.00 H new ATOM 0 HA LEU A 97 0.999 -6.128 -1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.486 -4.011 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.062 -3.203 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.369 -4.514 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.520 -4.025 -5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.086 -2.668 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.514 -3.665 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.101 -6.290 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.044 -6.190 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.335 -6.686 -3.064 1.00 0.00 H new ATOM 1534 N ARG A 98 3.368 -5.960 -0.445 1.00 0.00 N ATOM 1535 CA ARG A 98 4.784 -5.885 -0.131 1.00 0.00 C ATOM 1536 C ARG A 98 5.552 -6.569 -1.200 1.00 0.00 C ATOM 1537 O ARG A 98 4.984 -7.381 -1.958 1.00 0.00 O ATOM 1538 CB ARG A 98 5.119 -6.648 1.159 1.00 0.00 C ATOM 1539 CG ARG A 98 4.089 -6.584 2.245 1.00 0.00 C ATOM 1540 CD ARG A 98 4.585 -7.246 3.508 1.00 0.00 C ATOM 1541 NE ARG A 98 5.636 -6.465 4.178 1.00 0.00 N ATOM 1542 CZ ARG A 98 6.744 -6.970 4.733 1.00 0.00 C ATOM 1543 NH1 ARG A 98 7.011 -8.270 4.639 1.00 0.00 N ATOM 1544 NH2 ARG A 98 7.576 -6.166 5.403 1.00 0.00 N ATOM 0 H ARG A 98 2.999 -6.908 -0.520 1.00 0.00 H new ATOM 0 HA ARG A 98 5.034 -4.829 -0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.287 -7.695 0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.059 -6.261 1.553 1.00 0.00 H new ATOM 0 HG2 ARG A 98 3.838 -5.543 2.451 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.174 -7.072 1.911 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.749 -7.387 4.193 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.970 -8.237 3.268 1.00 0.00 H new ATOM 0 HE ARG A 98 5.510 -5.454 4.223 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.369 -8.888 4.142 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.857 -8.649 5.064 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.365 -5.172 5.490 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.422 -6.547 5.828 1.00 0.00 H new ATOM 1558 N MET A 99 6.830 -6.269 -1.280 1.00 0.00 N ATOM 1559 CA MET A 99 7.683 -7.043 -2.099 1.00 0.00 C ATOM 1560 C MET A 99 7.993 -8.293 -1.329 1.00 0.00 C ATOM 1561 O MET A 99 8.449 -8.221 -0.167 1.00 0.00 O ATOM 1562 CB MET A 99 8.980 -6.345 -2.440 1.00 0.00 C ATOM 1563 CG MET A 99 8.818 -5.069 -3.201 1.00 0.00 C ATOM 1564 SD MET A 99 10.309 -4.582 -4.095 1.00 0.00 S ATOM 1565 CE MET A 99 10.365 -5.876 -5.353 1.00 0.00 C ATOM 0 H MET A 99 7.281 -5.499 -0.786 1.00 0.00 H new ATOM 0 HA MET A 99 7.179 -7.236 -3.046 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.519 -6.136 -1.516 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.601 -7.025 -3.024 1.00 0.00 H new ATOM 0 HG2 MET A 99 7.996 -5.177 -3.909 1.00 0.00 H new ATOM 0 HG3 MET A 99 8.540 -4.274 -2.510 1.00 0.00 H new ATOM 0 HE1 MET A 99 10.913 -5.514 -6.223 1.00 0.00 H new ATOM 0 HE2 MET A 99 10.866 -6.755 -4.948 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.350 -6.141 -5.648 1.00 0.00 H new ATOM 1575 N LYS A 100 7.734 -9.398 -1.937 1.00 0.00 N ATOM 1576 CA LYS A 100 7.879 -10.678 -1.330 1.00 0.00 C ATOM 1577 C LYS A 100 9.297 -10.941 -0.877 1.00 0.00 C ATOM 1578 O LYS A 100 10.245 -10.684 -1.623 1.00 0.00 O ATOM 1579 CB LYS A 100 7.447 -11.766 -2.274 1.00 0.00 C ATOM 1580 CG LYS A 100 6.018 -11.651 -2.739 1.00 0.00 C ATOM 1581 CD LYS A 100 5.538 -12.933 -3.411 1.00 0.00 C ATOM 1582 CE LYS A 100 5.346 -14.045 -2.381 1.00 0.00 C ATOM 1583 NZ LYS A 100 4.788 -15.273 -2.968 1.00 0.00 N ATOM 0 H LYS A 100 7.405 -9.439 -2.902 1.00 0.00 H new ATOM 0 HA LYS A 100 7.238 -10.680 -0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.102 -11.757 -3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.581 -12.731 -1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.376 -11.424 -1.888 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.928 -10.819 -3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.599 -12.747 -3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.262 -13.248 -4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.305 -14.273 -1.916 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.684 -13.692 -1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.965 -15.581 -2.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.493 -15.086 -3.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.511 -16.021 -2.961 1.00 0.00 H new ATOM 1597 N PRO A 101 9.460 -11.378 0.383 1.00 0.00 N ATOM 1598 CA PRO A 101 10.758 -11.764 0.930 1.00 0.00 C ATOM 1599 C PRO A 101 11.352 -12.903 0.144 1.00 0.00 C ATOM 1600 O PRO A 101 10.848 -14.035 0.179 1.00 0.00 O ATOM 1601 CB PRO A 101 10.433 -12.212 2.347 1.00 0.00 C ATOM 1602 CG PRO A 101 9.193 -11.482 2.663 1.00 0.00 C ATOM 1603 CD PRO A 101 8.404 -11.499 1.394 1.00 0.00 C ATOM 0 HA PRO A 101 11.487 -10.954 0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 101 10.289 -13.291 2.404 1.00 0.00 H new ATOM 0 HB3 PRO A 101 11.235 -11.961 3.041 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.647 -11.963 3.474 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.405 -10.462 2.983 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.832 -12.420 1.280 1.00 0.00 H new ATOM 0 HD3 PRO A 101 7.693 -10.674 1.343 1.00 0.00 H new ATOM 1611 N HIS A 102 12.392 -12.571 -0.567 1.00 0.00 N ATOM 1612 CA HIS A 102 13.088 -13.443 -1.477 1.00 0.00 C ATOM 1613 C HIS A 102 12.223 -13.867 -2.624 1.00 0.00 C ATOM 1614 O HIS A 102 11.378 -14.765 -2.530 1.00 0.00 O ATOM 1615 CB HIS A 102 13.750 -14.615 -0.800 1.00 0.00 C ATOM 1616 CG HIS A 102 14.518 -15.531 -1.726 1.00 0.00 C ATOM 1617 ND1 HIS A 102 14.135 -16.826 -2.017 1.00 0.00 N ATOM 1618 CD2 HIS A 102 15.657 -15.317 -2.420 1.00 0.00 C ATOM 1619 CE1 HIS A 102 15.007 -17.358 -2.851 1.00 0.00 C ATOM 1620 NE2 HIS A 102 15.935 -16.464 -3.107 1.00 0.00 N ATOM 0 H HIS A 102 12.800 -11.637 -0.527 1.00 0.00 H new ATOM 0 HA HIS A 102 13.902 -12.847 -1.890 1.00 0.00 H new ATOM 0 HB2 HIS A 102 14.431 -14.239 -0.037 1.00 0.00 H new ATOM 0 HB3 HIS A 102 12.986 -15.198 -0.286 1.00 0.00 H new ATOM 0 HD2 HIS A 102 16.240 -14.408 -2.430 1.00 0.00 H new ATOM 0 HE1 HIS A 102 14.965 -18.359 -3.255 1.00 0.00 H new ATOM 0 HE2 HIS A 102 16.737 -16.604 -3.722 1.00 0.00 H new ATOM 1629 N ALA A 103 12.458 -13.223 -3.670 1.00 0.00 N ATOM 1630 CA ALA A 103 11.807 -13.456 -4.894 1.00 0.00 C ATOM 1631 C ALA A 103 12.781 -14.182 -5.786 1.00 0.00 C ATOM 1632 O ALA A 103 13.814 -14.690 -5.305 1.00 0.00 O ATOM 1633 CB ALA A 103 11.383 -12.128 -5.503 1.00 0.00 C ATOM 0 H ALA A 103 13.147 -12.472 -3.714 1.00 0.00 H new ATOM 0 HA ALA A 103 10.908 -14.059 -4.763 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.878 -12.308 -6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.704 -11.616 -4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.263 -11.508 -5.672 1.00 0.00 H new ATOM 1639 N ILE A 104 12.480 -14.265 -7.049 1.00 0.00 N ATOM 1640 CA ILE A 104 13.352 -14.850 -7.966 1.00 0.00 C ATOM 1641 C ILE A 104 14.514 -13.888 -8.205 1.00 0.00 C ATOM 1642 O ILE A 104 14.363 -12.856 -8.845 1.00 0.00 O ATOM 1643 CB ILE A 104 12.614 -15.169 -9.251 1.00 0.00 C ATOM 1644 CG1 ILE A 104 11.455 -16.153 -8.985 1.00 0.00 C ATOM 1645 CG2 ILE A 104 13.560 -15.688 -10.301 1.00 0.00 C ATOM 1646 CD1 ILE A 104 10.657 -16.537 -10.212 1.00 0.00 C ATOM 0 H ILE A 104 11.610 -13.919 -7.453 1.00 0.00 H new ATOM 0 HA ILE A 104 13.746 -15.789 -7.578 1.00 0.00 H new ATOM 0 HB ILE A 104 12.179 -14.247 -9.636 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.861 -17.059 -8.535 1.00 0.00 H new ATOM 0 HG13 ILE A 104 10.780 -15.709 -8.254 1.00 0.00 H new ATOM 0 HG21 ILE A 104 13.005 -15.909 -11.213 1.00 0.00 H new ATOM 0 HG22 ILE A 104 14.319 -14.934 -10.512 1.00 0.00 H new ATOM 0 HG23 ILE A 104 14.042 -16.597 -9.940 1.00 0.00 H new ATOM 0 HD11 ILE A 104 9.865 -17.230 -9.929 1.00 0.00 H new ATOM 0 HD12 ILE A 104 10.216 -15.643 -10.654 1.00 0.00 H new ATOM 0 HD13 ILE A 104 11.314 -17.014 -10.939 1.00 0.00 H new ATOM 1658 N ALA A 105 15.621 -14.177 -7.589 1.00 0.00 N ATOM 1659 CA ALA A 105 16.803 -13.359 -7.696 1.00 0.00 C ATOM 1660 C ALA A 105 17.920 -14.210 -8.225 1.00 0.00 C ATOM 1661 O ALA A 105 19.095 -13.952 -7.997 1.00 0.00 O ATOM 1662 CB ALA A 105 17.155 -12.795 -6.331 1.00 0.00 C ATOM 0 H ALA A 105 15.735 -14.995 -6.990 1.00 0.00 H new ATOM 0 HA ALA A 105 16.632 -12.524 -8.375 1.00 0.00 H new ATOM 0 HB1 ALA A 105 18.049 -12.177 -6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 105 16.327 -12.189 -5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 105 17.342 -13.614 -5.636 1.00 0.00 H new ATOM 1668 N ASP A 106 17.534 -15.181 -9.010 1.00 0.00 N ATOM 1669 CA ASP A 106 18.444 -16.182 -9.568 1.00 0.00 C ATOM 1670 C ASP A 106 19.061 -15.714 -10.873 1.00 0.00 C ATOM 1671 O ASP A 106 19.634 -16.498 -11.628 1.00 0.00 O ATOM 1672 CB ASP A 106 17.746 -17.539 -9.711 1.00 0.00 C ATOM 1673 CG ASP A 106 17.371 -18.139 -8.369 1.00 0.00 C ATOM 1674 OD1 ASP A 106 16.363 -17.717 -7.760 1.00 0.00 O ATOM 1675 OD2 ASP A 106 18.085 -19.039 -7.880 1.00 0.00 O ATOM 0 H ASP A 106 16.563 -15.312 -9.293 1.00 0.00 H new ATOM 0 HA ASP A 106 19.267 -16.313 -8.866 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.848 -17.421 -10.317 1.00 0.00 H new ATOM 0 HB3 ASP A 106 18.402 -18.228 -10.244 1.00 0.00 H new ATOM 1680 N ARG A 107 18.968 -14.418 -11.054 1.00 0.00 N ATOM 1681 CA ARG A 107 19.557 -13.640 -12.108 1.00 0.00 C ATOM 1682 C ARG A 107 19.294 -14.185 -13.516 1.00 0.00 C ATOM 1683 O ARG A 107 18.248 -13.841 -14.086 1.00 0.00 O ATOM 1684 CB ARG A 107 21.013 -13.483 -11.774 1.00 0.00 C ATOM 1685 CG ARG A 107 21.220 -12.768 -10.440 1.00 0.00 C ATOM 1686 CD ARG A 107 22.670 -12.711 -10.020 1.00 0.00 C ATOM 1687 NE ARG A 107 23.480 -11.799 -10.829 1.00 0.00 N ATOM 1688 CZ ARG A 107 24.816 -11.735 -10.753 1.00 0.00 C ATOM 1689 NH1 ARG A 107 25.473 -12.609 -9.995 1.00 0.00 N ATOM 1690 NH2 ARG A 107 25.490 -10.809 -11.423 1.00 0.00 N ATOM 1691 OXT ARG A 107 20.128 -14.927 -14.075 1.00 0.00 O ATOM 0 H ARG A 107 18.432 -13.836 -10.411 1.00 0.00 H new ATOM 0 HA ARG A 107 19.079 -12.662 -12.154 1.00 0.00 H new ATOM 0 HB2 ARG A 107 21.484 -14.465 -11.736 1.00 0.00 H new ATOM 0 HB3 ARG A 107 21.508 -12.922 -12.567 1.00 0.00 H new ATOM 0 HG2 ARG A 107 20.828 -11.753 -10.513 1.00 0.00 H new ATOM 0 HG3 ARG A 107 20.643 -13.277 -9.668 1.00 0.00 H new ATOM 0 HD2 ARG A 107 22.725 -12.403 -8.976 1.00 0.00 H new ATOM 0 HD3 ARG A 107 23.096 -13.712 -10.080 1.00 0.00 H new ATOM 0 HE ARG A 107 23.003 -11.180 -11.484 1.00 0.00 H new ATOM 0 HH11 ARG A 107 24.960 -13.322 -9.477 1.00 0.00 H new ATOM 0 HH12 ARG A 107 26.490 -12.566 -9.932 1.00 0.00 H new ATOM 0 HH21 ARG A 107 24.991 -10.135 -12.004 1.00 0.00 H new ATOM 0 HH22 ARG A 107 26.507 -10.771 -11.357 1.00 0.00 H new TER 1705 ARG A 107