USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 599 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 Single : A 7 SER OG : rot 29:sc= 0.24 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 17 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.0081) USER MOD Single : A 18 MET CE :methyl -160:sc= -0.125 (180deg=-0.699) USER MOD Single : A 24 SER OG : rot 6:sc= 0.709 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.502 K(o=-0.5,f=-6.1!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00897 USER MOD Single : A 40 MET CE :methyl -161:sc= -0.222 (180deg=-0.744) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0234 K(o=-0.023,f=-3!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -62:sc= 1.14 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 55 HIS : no HD1:sc= -0.178 X(o=-0.18,f=0.016) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.135 K(o=0.13,f=-5!) USER MOD Single : A 65 ASN : amide:sc= -1.22 K(o=-1.2,f=-3!) USER MOD Single : A 67 LYS NZ :NH3+ 169:sc= -0.018 (180deg=-0.215) USER MOD Single : A 71 THR OG1 : rot 75:sc= 1.13 USER MOD Single : A 72 ASN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 11.535 -18.831 26.654 1.00 0.00 N ATOM 2 CA SER A 7 11.341 -17.390 26.517 1.00 0.00 C ATOM 3 C SER A 7 10.367 -17.132 25.387 1.00 0.00 C ATOM 4 O SER A 7 10.229 -17.961 24.479 1.00 0.00 O ATOM 5 CB SER A 7 12.684 -16.748 26.218 1.00 0.00 C ATOM 6 OG SER A 7 13.632 -17.141 27.193 1.00 0.00 O ATOM 0 HA SER A 7 10.937 -16.965 27.435 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.026 -17.043 25.226 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.585 -15.663 26.211 1.00 0.00 H new ATOM 0 HG SER A 7 13.401 -18.030 27.535 1.00 0.00 H new ATOM 12 N GLY A 8 9.688 -16.010 25.429 1.00 0.00 N ATOM 13 CA GLY A 8 8.741 -15.707 24.409 1.00 0.00 C ATOM 14 C GLY A 8 8.590 -14.230 24.180 1.00 0.00 C ATOM 15 O GLY A 8 9.274 -13.412 24.808 1.00 0.00 O ATOM 0 H GLY A 8 9.780 -15.303 26.158 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.049 -16.185 23.479 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.773 -16.130 24.680 1.00 0.00 H new ATOM 19 N ARG A 9 7.722 -13.908 23.257 1.00 0.00 N ATOM 20 CA ARG A 9 7.335 -12.554 22.940 1.00 0.00 C ATOM 21 C ARG A 9 5.870 -12.582 22.643 1.00 0.00 C ATOM 22 O ARG A 9 5.423 -13.400 21.836 1.00 0.00 O ATOM 23 CB ARG A 9 8.067 -11.984 21.725 1.00 0.00 C ATOM 24 CG ARG A 9 9.512 -11.635 21.971 1.00 0.00 C ATOM 25 CD ARG A 9 10.155 -11.067 20.729 1.00 0.00 C ATOM 26 NE ARG A 9 11.504 -10.578 21.002 1.00 0.00 N ATOM 27 CZ ARG A 9 12.607 -10.946 20.356 1.00 0.00 C ATOM 28 NH1 ARG A 9 12.597 -12.010 19.554 1.00 0.00 N ATOM 29 NH2 ARG A 9 13.733 -10.285 20.572 1.00 0.00 N ATOM 0 H ARG A 9 7.247 -14.605 22.684 1.00 0.00 H new ATOM 0 HA ARG A 9 7.590 -11.916 23.786 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.015 -12.709 20.913 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.543 -11.090 21.388 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.581 -10.911 22.783 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.055 -12.525 22.290 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.194 -11.833 19.955 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.543 -10.253 20.341 1.00 0.00 H new ATOM 0 HE ARG A 9 11.609 -9.896 21.753 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.739 -12.549 19.432 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.447 -12.286 19.062 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.748 -9.504 21.227 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.586 -10.557 20.083 1.00 0.00 H new ATOM 43 N GLU A 10 5.124 -11.737 23.297 1.00 0.00 N ATOM 44 CA GLU A 10 3.711 -11.668 23.056 1.00 0.00 C ATOM 45 C GLU A 10 3.513 -10.895 21.780 1.00 0.00 C ATOM 46 O GLU A 10 3.912 -9.730 21.688 1.00 0.00 O ATOM 47 CB GLU A 10 2.934 -10.988 24.201 1.00 0.00 C ATOM 48 CG GLU A 10 2.919 -11.727 25.538 1.00 0.00 C ATOM 49 CD GLU A 10 4.272 -11.865 26.203 1.00 0.00 C ATOM 50 OE1 GLU A 10 4.670 -10.964 26.980 1.00 0.00 O ATOM 51 OE2 GLU A 10 4.969 -12.876 25.988 1.00 0.00 O ATOM 0 H GLU A 10 5.471 -11.086 24.001 1.00 0.00 H new ATOM 0 HA GLU A 10 3.320 -12.683 22.986 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.359 -9.997 24.362 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.903 -10.844 23.877 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.247 -11.204 26.219 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.503 -12.722 25.382 1.00 0.00 H new ATOM 58 N ASN A 11 2.992 -11.545 20.770 1.00 0.00 N ATOM 59 CA ASN A 11 2.692 -10.843 19.550 1.00 0.00 C ATOM 60 C ASN A 11 1.366 -10.189 19.808 1.00 0.00 C ATOM 61 O ASN A 11 0.323 -10.843 19.732 1.00 0.00 O ATOM 62 CB ASN A 11 2.612 -11.774 18.335 1.00 0.00 C ATOM 63 CG ASN A 11 2.486 -11.008 17.028 1.00 0.00 C ATOM 64 OD1 ASN A 11 3.492 -10.661 16.410 1.00 0.00 O ATOM 65 ND2 ASN A 11 1.276 -10.748 16.585 1.00 0.00 N ATOM 0 H ASN A 11 2.770 -12.541 20.767 1.00 0.00 H new ATOM 0 HA ASN A 11 3.479 -10.130 19.305 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.503 -12.401 18.301 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.757 -12.441 18.447 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.152 -10.245 15.706 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.461 -11.049 17.120 1.00 0.00 H new ATOM 72 N LEU A 12 1.429 -8.942 20.223 1.00 0.00 N ATOM 73 CA LEU A 12 0.253 -8.206 20.618 1.00 0.00 C ATOM 74 C LEU A 12 -0.744 -8.029 19.514 1.00 0.00 C ATOM 75 O LEU A 12 -0.467 -8.233 18.323 1.00 0.00 O ATOM 76 CB LEU A 12 0.608 -6.854 21.231 1.00 0.00 C ATOM 77 CG LEU A 12 1.333 -6.913 22.566 1.00 0.00 C ATOM 78 CD1 LEU A 12 1.751 -5.522 23.006 1.00 0.00 C ATOM 79 CD2 LEU A 12 0.460 -7.562 23.632 1.00 0.00 C ATOM 0 H LEU A 12 2.298 -8.412 20.295 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.225 -8.823 21.379 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.229 -6.305 20.523 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.310 -6.281 21.360 1.00 0.00 H new ATOM 0 HG LEU A 12 2.227 -7.524 22.437 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.268 -5.583 23.963 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.418 -5.089 22.260 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.867 -4.893 23.111 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.002 -7.592 24.577 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.454 -6.982 23.756 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.207 -8.577 23.326 1.00 0.00 H new ATOM 91 N TYR A 13 -1.911 -7.657 19.930 1.00 0.00 N ATOM 92 CA TYR A 13 -2.974 -7.405 19.013 1.00 0.00 C ATOM 93 C TYR A 13 -2.802 -6.010 18.467 1.00 0.00 C ATOM 94 O TYR A 13 -2.823 -5.018 19.203 1.00 0.00 O ATOM 95 CB TYR A 13 -4.359 -7.650 19.638 1.00 0.00 C ATOM 96 CG TYR A 13 -4.748 -6.794 20.831 1.00 0.00 C ATOM 97 CD1 TYR A 13 -4.192 -7.008 22.084 1.00 0.00 C ATOM 98 CD2 TYR A 13 -5.704 -5.795 20.704 1.00 0.00 C ATOM 99 CE1 TYR A 13 -4.577 -6.256 23.175 1.00 0.00 C ATOM 100 CE2 TYR A 13 -6.089 -5.031 21.787 1.00 0.00 C ATOM 101 CZ TYR A 13 -5.523 -5.267 23.020 1.00 0.00 C ATOM 102 OH TYR A 13 -5.929 -4.531 24.112 1.00 0.00 O ATOM 0 H TYR A 13 -2.154 -7.520 20.911 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.925 -8.114 18.187 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.110 -7.506 18.861 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.411 -8.695 19.942 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.444 -7.777 22.208 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.155 -5.612 19.740 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.139 -6.442 24.145 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.829 -4.253 21.668 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.600 -3.874 23.832 1.00 0.00 H new ATOM 112 N PHE A 14 -2.525 -5.949 17.199 1.00 0.00 N ATOM 113 CA PHE A 14 -2.366 -4.695 16.543 1.00 0.00 C ATOM 114 C PHE A 14 -3.670 -4.388 15.880 1.00 0.00 C ATOM 115 O PHE A 14 -4.097 -5.086 14.947 1.00 0.00 O ATOM 116 CB PHE A 14 -1.188 -4.711 15.566 1.00 0.00 C ATOM 117 CG PHE A 14 0.119 -4.947 16.264 1.00 0.00 C ATOM 118 CD1 PHE A 14 0.740 -3.919 16.949 1.00 0.00 C ATOM 119 CD2 PHE A 14 0.716 -6.197 16.256 1.00 0.00 C ATOM 120 CE1 PHE A 14 1.931 -4.131 17.614 1.00 0.00 C ATOM 121 CE2 PHE A 14 1.911 -6.415 16.917 1.00 0.00 C ATOM 122 CZ PHE A 14 2.516 -5.378 17.598 1.00 0.00 C ATOM 0 H PHE A 14 -2.404 -6.764 16.597 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.120 -3.908 17.256 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.346 -5.490 14.820 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.147 -3.762 15.032 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.288 -2.938 16.964 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.243 -7.011 15.727 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.404 -3.319 18.147 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.369 -7.393 16.900 1.00 0.00 H new ATOM 0 HZ PHE A 14 3.448 -5.544 18.118 1.00 0.00 H new ATOM 132 N GLN A 15 -4.335 -3.409 16.425 1.00 0.00 N ATOM 133 CA GLN A 15 -5.617 -2.990 15.967 1.00 0.00 C ATOM 134 C GLN A 15 -5.469 -2.356 14.605 1.00 0.00 C ATOM 135 O GLN A 15 -4.406 -1.818 14.249 1.00 0.00 O ATOM 136 CB GLN A 15 -6.211 -2.003 16.976 1.00 0.00 C ATOM 137 CG GLN A 15 -7.620 -1.529 16.669 1.00 0.00 C ATOM 138 CD GLN A 15 -8.110 -0.516 17.675 1.00 0.00 C ATOM 139 OE1 GLN A 15 -7.334 0.242 18.243 1.00 0.00 O ATOM 140 NE2 GLN A 15 -9.394 -0.487 17.900 1.00 0.00 N ATOM 0 H GLN A 15 -3.987 -2.871 17.219 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.292 -3.842 15.881 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.209 -2.471 17.961 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.558 -1.133 17.035 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.645 -1.090 15.672 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.295 -2.384 16.658 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.012 -1.133 17.409 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.780 0.182 18.567 1.00 0.00 H new ATOM 149 N GLY A 16 -6.495 -2.478 13.826 1.00 0.00 N ATOM 150 CA GLY A 16 -6.506 -1.832 12.557 1.00 0.00 C ATOM 151 C GLY A 16 -6.924 -0.408 12.776 1.00 0.00 C ATOM 152 O GLY A 16 -8.109 -0.079 12.729 1.00 0.00 O ATOM 0 H GLY A 16 -7.332 -3.017 14.046 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.519 -1.875 12.097 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.196 -2.333 11.878 1.00 0.00 H new ATOM 156 N HIS A 17 -5.952 0.420 13.038 1.00 0.00 N ATOM 157 CA HIS A 17 -6.175 1.814 13.280 1.00 0.00 C ATOM 158 C HIS A 17 -6.127 2.492 11.926 1.00 0.00 C ATOM 159 O HIS A 17 -5.562 1.917 10.993 1.00 0.00 O ATOM 160 CB HIS A 17 -5.069 2.343 14.212 1.00 0.00 C ATOM 161 CG HIS A 17 -5.241 3.761 14.664 1.00 0.00 C ATOM 162 ND1 HIS A 17 -4.579 4.839 14.112 1.00 0.00 N ATOM 163 CD2 HIS A 17 -6.020 4.267 15.648 1.00 0.00 C ATOM 164 CE1 HIS A 17 -4.971 5.939 14.762 1.00 0.00 C ATOM 165 NE2 HIS A 17 -5.847 5.646 15.708 1.00 0.00 N ATOM 0 H HIS A 17 -4.972 0.141 13.090 1.00 0.00 H new ATOM 0 HA HIS A 17 -7.133 2.007 13.764 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.020 1.701 15.092 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.111 2.255 13.699 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.673 3.691 16.286 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.619 6.936 14.543 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.302 6.296 16.349 1.00 0.00 H new ATOM 173 N MET A 18 -6.734 3.664 11.809 1.00 0.00 N ATOM 174 CA MET A 18 -6.716 4.429 10.571 1.00 0.00 C ATOM 175 C MET A 18 -5.279 4.602 10.087 1.00 0.00 C ATOM 176 O MET A 18 -4.374 4.873 10.895 1.00 0.00 O ATOM 177 CB MET A 18 -7.403 5.797 10.729 1.00 0.00 C ATOM 178 CG MET A 18 -6.756 6.739 11.741 1.00 0.00 C ATOM 179 SD MET A 18 -7.567 8.350 11.849 1.00 0.00 S ATOM 180 CE MET A 18 -7.333 8.964 10.180 1.00 0.00 C ATOM 0 H MET A 18 -7.251 4.110 12.567 1.00 0.00 H new ATOM 0 HA MET A 18 -7.282 3.870 9.825 1.00 0.00 H new ATOM 0 HB2 MET A 18 -7.420 6.291 9.757 1.00 0.00 H new ATOM 0 HB3 MET A 18 -8.440 5.633 11.022 1.00 0.00 H new ATOM 0 HG2 MET A 18 -6.769 6.268 12.724 1.00 0.00 H new ATOM 0 HG3 MET A 18 -5.710 6.885 11.472 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.447 10.048 10.172 1.00 0.00 H new ATOM 0 HE2 MET A 18 -6.334 8.702 9.833 1.00 0.00 H new ATOM 0 HE3 MET A 18 -8.076 8.516 9.520 1.00 0.00 H new ATOM 190 N ALA A 19 -5.072 4.362 8.806 1.00 0.00 N ATOM 191 CA ALA A 19 -3.759 4.475 8.199 1.00 0.00 C ATOM 192 C ALA A 19 -3.261 5.906 8.267 1.00 0.00 C ATOM 193 O ALA A 19 -3.782 6.793 7.594 1.00 0.00 O ATOM 194 CB ALA A 19 -3.792 3.988 6.764 1.00 0.00 C ATOM 0 H ALA A 19 -5.808 4.084 8.157 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.067 3.845 8.758 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.798 4.080 6.325 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.103 2.944 6.741 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.498 4.589 6.192 1.00 0.00 H new ATOM 200 N ALA A 20 -2.307 6.126 9.130 1.00 0.00 N ATOM 201 CA ALA A 20 -1.717 7.424 9.322 1.00 0.00 C ATOM 202 C ALA A 20 -0.297 7.377 8.786 1.00 0.00 C ATOM 203 O ALA A 20 0.266 6.277 8.692 1.00 0.00 O ATOM 204 CB ALA A 20 -1.726 7.768 10.808 1.00 0.00 C ATOM 0 H ALA A 20 -1.912 5.400 9.728 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.281 8.192 8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.279 8.751 10.957 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.753 7.777 11.173 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.152 7.022 11.358 1.00 0.00 H new ATOM 210 N PRO A 21 0.284 8.529 8.384 1.00 0.00 N ATOM 211 CA PRO A 21 1.676 8.604 7.927 1.00 0.00 C ATOM 212 C PRO A 21 2.616 7.984 8.961 1.00 0.00 C ATOM 213 O PRO A 21 2.848 8.559 10.026 1.00 0.00 O ATOM 214 CB PRO A 21 1.922 10.110 7.824 1.00 0.00 C ATOM 215 CG PRO A 21 0.588 10.673 7.518 1.00 0.00 C ATOM 216 CD PRO A 21 -0.381 9.852 8.314 1.00 0.00 C ATOM 0 HA PRO A 21 1.852 8.069 6.994 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.321 10.513 8.755 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.643 10.344 7.040 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.532 11.726 7.796 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.371 10.613 6.452 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.548 10.273 9.305 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.354 9.790 7.826 1.00 0.00 H new ATOM 224 N ALA A 22 3.147 6.814 8.659 1.00 0.00 N ATOM 225 CA ALA A 22 3.925 6.073 9.645 1.00 0.00 C ATOM 226 C ALA A 22 5.324 5.691 9.198 1.00 0.00 C ATOM 227 O ALA A 22 5.922 4.759 9.726 1.00 0.00 O ATOM 228 CB ALA A 22 3.149 4.861 10.101 1.00 0.00 C ATOM 0 H ALA A 22 3.058 6.357 7.751 1.00 0.00 H new ATOM 0 HA ALA A 22 4.082 6.756 10.480 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.734 4.310 10.838 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.208 5.179 10.549 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.944 4.217 9.246 1.00 0.00 H new ATOM 234 N ARG A 23 5.851 6.444 8.267 1.00 0.00 N ATOM 235 CA ARG A 23 7.229 6.313 7.787 1.00 0.00 C ATOM 236 C ARG A 23 7.578 4.912 7.193 1.00 0.00 C ATOM 237 O ARG A 23 8.747 4.561 7.009 1.00 0.00 O ATOM 238 CB ARG A 23 8.164 6.739 8.929 1.00 0.00 C ATOM 239 CG ARG A 23 9.605 6.989 8.548 1.00 0.00 C ATOM 240 CD ARG A 23 10.359 7.556 9.735 1.00 0.00 C ATOM 241 NE ARG A 23 9.763 8.829 10.166 1.00 0.00 N ATOM 242 CZ ARG A 23 9.816 9.348 11.393 1.00 0.00 C ATOM 243 NH1 ARG A 23 10.572 8.791 12.327 1.00 0.00 N ATOM 244 NH2 ARG A 23 9.136 10.453 11.668 1.00 0.00 N ATOM 0 H ARG A 23 5.332 7.188 7.801 1.00 0.00 H new ATOM 0 HA ARG A 23 7.364 6.972 6.929 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.765 7.648 9.379 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.141 5.967 9.698 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.071 6.060 8.220 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.654 7.683 7.709 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.341 6.842 10.559 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.405 7.709 9.469 1.00 0.00 H new ATOM 0 HE ARG A 23 9.261 9.366 9.459 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.120 7.958 12.110 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.607 9.195 13.263 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.576 10.901 10.943 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.173 10.855 12.605 1.00 0.00 H new ATOM 258 N SER A 24 6.576 4.144 6.815 1.00 0.00 N ATOM 259 CA SER A 24 6.773 2.856 6.166 1.00 0.00 C ATOM 260 C SER A 24 5.545 2.495 5.336 1.00 0.00 C ATOM 261 O SER A 24 4.426 2.759 5.769 1.00 0.00 O ATOM 262 CB SER A 24 7.043 1.771 7.215 1.00 0.00 C ATOM 263 OG SER A 24 8.299 1.950 7.849 1.00 0.00 O ATOM 0 H SER A 24 5.596 4.394 6.948 1.00 0.00 H new ATOM 0 HA SER A 24 7.636 2.923 5.504 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.252 1.786 7.965 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.013 0.791 6.740 1.00 0.00 H new ATOM 0 HG SER A 24 8.702 2.790 7.546 1.00 0.00 H new ATOM 269 N CYS A 25 5.754 1.909 4.166 1.00 0.00 N ATOM 270 CA CYS A 25 4.682 1.467 3.308 1.00 0.00 C ATOM 271 C CYS A 25 4.678 -0.030 3.373 1.00 0.00 C ATOM 272 O CYS A 25 5.718 -0.666 3.268 1.00 0.00 O ATOM 273 CB CYS A 25 4.894 1.910 1.861 1.00 0.00 C ATOM 274 SG CYS A 25 4.817 3.703 1.599 1.00 0.00 S ATOM 0 H CYS A 25 6.684 1.729 3.789 1.00 0.00 H new ATOM 0 HA CYS A 25 3.738 1.899 3.640 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.865 1.548 1.523 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.141 1.432 1.235 1.00 0.00 H new ATOM 279 N VAL A 26 3.535 -0.589 3.582 1.00 0.00 N ATOM 280 CA VAL A 26 3.409 -2.006 3.758 1.00 0.00 C ATOM 281 C VAL A 26 2.703 -2.536 2.549 1.00 0.00 C ATOM 282 O VAL A 26 1.632 -2.050 2.196 1.00 0.00 O ATOM 283 CB VAL A 26 2.601 -2.295 5.024 1.00 0.00 C ATOM 284 CG1 VAL A 26 2.806 -3.686 5.526 1.00 0.00 C ATOM 285 CG2 VAL A 26 2.985 -1.330 6.070 1.00 0.00 C ATOM 0 H VAL A 26 2.654 -0.078 3.637 1.00 0.00 H new ATOM 0 HA VAL A 26 4.383 -2.482 3.868 1.00 0.00 H new ATOM 0 HB VAL A 26 1.545 -2.195 4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.210 -3.840 6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.497 -4.398 4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.860 -3.837 5.758 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.413 -1.529 6.976 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.049 -1.429 6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.777 -0.317 5.725 1.00 0.00 H new ATOM 295 N TYR A 27 3.321 -3.487 1.913 1.00 0.00 N ATOM 296 CA TYR A 27 2.821 -4.016 0.672 1.00 0.00 C ATOM 297 C TYR A 27 2.039 -5.277 0.912 1.00 0.00 C ATOM 298 O TYR A 27 2.454 -6.151 1.686 1.00 0.00 O ATOM 299 CB TYR A 27 3.957 -4.180 -0.348 1.00 0.00 C ATOM 300 CG TYR A 27 4.552 -2.837 -0.726 1.00 0.00 C ATOM 301 CD1 TYR A 27 5.383 -2.159 0.151 1.00 0.00 C ATOM 302 CD2 TYR A 27 4.256 -2.228 -1.937 1.00 0.00 C ATOM 303 CE1 TYR A 27 5.898 -0.923 -0.154 1.00 0.00 C ATOM 304 CE2 TYR A 27 4.784 -0.985 -2.250 1.00 0.00 C ATOM 305 CZ TYR A 27 5.598 -0.339 -1.353 1.00 0.00 C ATOM 306 OH TYR A 27 6.112 0.901 -1.652 1.00 0.00 O ATOM 0 H TYR A 27 4.186 -3.920 2.237 1.00 0.00 H new ATOM 0 HA TYR A 27 2.123 -3.304 0.231 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.734 -4.821 0.069 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.579 -4.678 -1.241 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.632 -2.614 1.098 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.608 -2.727 -2.642 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.538 -0.414 0.551 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.555 -0.525 -3.200 1.00 0.00 H new ATOM 0 HH TYR A 27 5.806 1.176 -2.541 1.00 0.00 H new ATOM 316 N TYR A 28 0.892 -5.334 0.288 1.00 0.00 N ATOM 317 CA TYR A 28 -0.034 -6.410 0.431 1.00 0.00 C ATOM 318 C TYR A 28 -0.418 -6.943 -0.924 1.00 0.00 C ATOM 319 O TYR A 28 -0.515 -6.189 -1.877 1.00 0.00 O ATOM 320 CB TYR A 28 -1.318 -5.920 1.093 1.00 0.00 C ATOM 321 CG TYR A 28 -1.191 -5.421 2.513 1.00 0.00 C ATOM 322 CD1 TYR A 28 -1.461 -6.263 3.578 1.00 0.00 C ATOM 323 CD2 TYR A 28 -0.810 -4.118 2.797 1.00 0.00 C ATOM 324 CE1 TYR A 28 -1.361 -5.833 4.880 1.00 0.00 C ATOM 325 CE2 TYR A 28 -0.706 -3.688 4.094 1.00 0.00 C ATOM 326 CZ TYR A 28 -0.979 -4.538 5.130 1.00 0.00 C ATOM 327 OH TYR A 28 -0.881 -4.077 6.418 1.00 0.00 O ATOM 0 H TYR A 28 0.573 -4.607 -0.352 1.00 0.00 H new ATOM 0 HA TYR A 28 0.444 -7.181 1.036 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.732 -5.116 0.484 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.042 -6.735 1.080 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.757 -7.283 3.381 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.593 -3.436 1.988 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.580 -6.506 5.696 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.406 -2.671 4.299 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.597 -3.139 6.409 1.00 0.00 H new ATOM 337 N ASP A 29 -0.611 -8.227 -0.996 1.00 0.00 N ATOM 338 CA ASP A 29 -1.134 -8.869 -2.193 1.00 0.00 C ATOM 339 C ASP A 29 -2.613 -9.070 -1.947 1.00 0.00 C ATOM 340 O ASP A 29 -2.996 -9.919 -1.142 1.00 0.00 O ATOM 341 CB ASP A 29 -0.452 -10.227 -2.364 1.00 0.00 C ATOM 342 CG ASP A 29 -0.938 -11.096 -3.527 1.00 0.00 C ATOM 343 OD1 ASP A 29 -2.111 -11.536 -3.544 1.00 0.00 O ATOM 344 OD2 ASP A 29 -0.129 -11.444 -4.406 1.00 0.00 O ATOM 0 H ASP A 29 -0.413 -8.871 -0.230 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.957 -8.274 -3.089 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.618 -10.058 -2.489 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.580 -10.791 -1.440 1.00 0.00 H new ATOM 349 N GLY A 30 -3.426 -8.224 -2.518 1.00 0.00 N ATOM 350 CA GLY A 30 -4.848 -8.366 -2.387 1.00 0.00 C ATOM 351 C GLY A 30 -5.607 -7.413 -3.252 1.00 0.00 C ATOM 352 O GLY A 30 -5.233 -6.249 -3.395 1.00 0.00 O ATOM 0 H GLY A 30 -3.126 -7.427 -3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.132 -9.387 -2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.130 -8.208 -1.346 1.00 0.00 H new ATOM 356 N HIS A 31 -6.686 -7.891 -3.801 1.00 0.00 N ATOM 357 CA HIS A 31 -7.577 -7.048 -4.576 1.00 0.00 C ATOM 358 C HIS A 31 -8.549 -6.385 -3.614 1.00 0.00 C ATOM 359 O HIS A 31 -9.151 -5.352 -3.898 1.00 0.00 O ATOM 360 CB HIS A 31 -8.372 -7.842 -5.619 1.00 0.00 C ATOM 361 CG HIS A 31 -7.585 -8.414 -6.766 1.00 0.00 C ATOM 362 ND1 HIS A 31 -7.205 -7.692 -7.880 1.00 0.00 N ATOM 363 CD2 HIS A 31 -7.157 -9.681 -6.985 1.00 0.00 C ATOM 364 CE1 HIS A 31 -6.585 -8.522 -8.723 1.00 0.00 C ATOM 365 NE2 HIS A 31 -6.527 -9.745 -8.227 1.00 0.00 N ATOM 0 H HIS A 31 -6.979 -8.865 -3.731 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.976 -6.315 -5.114 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -8.880 -8.662 -5.110 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.146 -7.192 -6.026 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -7.369 -6.697 -8.033 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.284 -10.510 -6.305 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -6.184 -8.232 -9.683 1.00 0.00 H new ATOM 373 N LEU A 32 -8.671 -6.990 -2.455 1.00 0.00 N ATOM 374 CA LEU A 32 -9.574 -6.535 -1.433 1.00 0.00 C ATOM 375 C LEU A 32 -8.760 -6.302 -0.189 1.00 0.00 C ATOM 376 O LEU A 32 -7.669 -6.864 -0.061 1.00 0.00 O ATOM 377 CB LEU A 32 -10.564 -7.647 -1.079 1.00 0.00 C ATOM 378 CG LEU A 32 -11.299 -8.314 -2.219 1.00 0.00 C ATOM 379 CD1 LEU A 32 -12.159 -9.447 -1.695 1.00 0.00 C ATOM 380 CD2 LEU A 32 -12.122 -7.319 -3.025 1.00 0.00 C ATOM 0 H LEU A 32 -8.139 -7.821 -2.196 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.097 -5.644 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.022 -8.418 -0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.306 -7.232 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.556 -8.729 -2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.683 -9.920 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.527 -10.184 -1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.885 -9.054 -0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.633 -7.841 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.858 -6.846 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.464 -6.557 -3.443 1.00 0.00 H new ATOM 392 N PRO A 33 -9.274 -5.518 0.758 1.00 0.00 N ATOM 393 CA PRO A 33 -8.637 -5.363 2.064 1.00 0.00 C ATOM 394 C PRO A 33 -8.836 -6.629 2.914 1.00 0.00 C ATOM 395 O PRO A 33 -8.297 -6.753 4.010 1.00 0.00 O ATOM 396 CB PRO A 33 -9.380 -4.176 2.681 1.00 0.00 C ATOM 397 CG PRO A 33 -10.715 -4.186 2.021 1.00 0.00 C ATOM 398 CD PRO A 33 -10.472 -4.658 0.622 1.00 0.00 C ATOM 0 HA PRO A 33 -7.560 -5.206 2.000 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.471 -4.283 3.762 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -8.854 -3.239 2.497 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.405 -4.849 2.543 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.162 -3.192 2.027 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.324 -5.214 0.231 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.295 -3.825 -0.059 1.00 0.00 H new ATOM 406 N ALA A 34 -9.601 -7.576 2.378 1.00 0.00 N ATOM 407 CA ALA A 34 -9.881 -8.812 3.082 1.00 0.00 C ATOM 408 C ALA A 34 -8.852 -9.876 2.713 1.00 0.00 C ATOM 409 O ALA A 34 -8.158 -10.426 3.574 1.00 0.00 O ATOM 410 CB ALA A 34 -11.281 -9.294 2.748 1.00 0.00 C ATOM 0 H ALA A 34 -10.036 -7.506 1.458 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.819 -8.628 4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.483 -10.223 3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.007 -8.538 3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.360 -9.467 1.675 1.00 0.00 H new ATOM 416 N THR A 35 -8.677 -10.082 1.424 1.00 0.00 N ATOM 417 CA THR A 35 -7.820 -11.122 0.902 1.00 0.00 C ATOM 418 C THR A 35 -6.392 -10.625 0.703 1.00 0.00 C ATOM 419 O THR A 35 -5.607 -11.209 -0.049 1.00 0.00 O ATOM 420 CB THR A 35 -8.414 -11.594 -0.429 1.00 0.00 C ATOM 421 OG1 THR A 35 -8.729 -10.440 -1.233 1.00 0.00 O ATOM 422 CG2 THR A 35 -9.675 -12.407 -0.185 1.00 0.00 C ATOM 0 H THR A 35 -9.132 -9.524 0.702 1.00 0.00 H new ATOM 0 HA THR A 35 -7.770 -11.945 1.614 1.00 0.00 H new ATOM 0 HB THR A 35 -7.690 -12.223 -0.946 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.108 -10.731 -2.088 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.086 -12.736 -1.139 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.434 -13.277 0.426 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.410 -11.792 0.334 1.00 0.00 H new ATOM 430 N ARG A 36 -6.043 -9.586 1.435 1.00 0.00 N ATOM 431 CA ARG A 36 -4.735 -8.996 1.347 1.00 0.00 C ATOM 432 C ARG A 36 -3.750 -9.836 2.156 1.00 0.00 C ATOM 433 O ARG A 36 -4.101 -10.389 3.202 1.00 0.00 O ATOM 434 CB ARG A 36 -4.777 -7.550 1.840 1.00 0.00 C ATOM 435 CG ARG A 36 -5.131 -7.407 3.305 1.00 0.00 C ATOM 436 CD ARG A 36 -5.149 -5.958 3.735 1.00 0.00 C ATOM 437 NE ARG A 36 -5.316 -5.848 5.178 1.00 0.00 N ATOM 438 CZ ARG A 36 -4.912 -4.802 5.899 1.00 0.00 C ATOM 439 NH1 ARG A 36 -4.634 -3.660 5.289 1.00 0.00 N ATOM 440 NH2 ARG A 36 -4.869 -4.874 7.221 1.00 0.00 N ATOM 0 H ARG A 36 -6.663 -9.132 2.106 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.403 -8.979 0.309 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.805 -7.089 1.666 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.503 -6.996 1.246 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.108 -7.854 3.489 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.410 -7.957 3.909 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.220 -5.473 3.434 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.960 -5.434 3.230 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.770 -6.619 5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.730 -3.586 4.276 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.324 -2.854 5.832 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.146 -5.734 7.694 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.559 -4.069 7.766 1.00 0.00 H new ATOM 454 N VAL A 37 -2.552 -9.956 1.652 1.00 0.00 N ATOM 455 CA VAL A 37 -1.507 -10.738 2.275 1.00 0.00 C ATOM 456 C VAL A 37 -0.353 -9.798 2.505 1.00 0.00 C ATOM 457 O VAL A 37 0.124 -9.197 1.543 1.00 0.00 O ATOM 458 CB VAL A 37 -1.039 -11.885 1.333 1.00 0.00 C ATOM 459 CG1 VAL A 37 0.074 -12.713 1.958 1.00 0.00 C ATOM 460 CG2 VAL A 37 -2.201 -12.783 0.923 1.00 0.00 C ATOM 0 H VAL A 37 -2.265 -9.507 0.782 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.868 -11.186 3.201 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.641 -11.410 0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.371 -13.503 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.931 -12.072 2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.282 -13.158 2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.836 -13.572 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.648 -13.228 1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.951 -12.191 0.398 1.00 0.00 H new ATOM 470 N LEU A 38 0.052 -9.617 3.749 1.00 0.00 N ATOM 471 CA LEU A 38 1.170 -8.745 4.036 1.00 0.00 C ATOM 472 C LEU A 38 2.441 -9.376 3.519 1.00 0.00 C ATOM 473 O LEU A 38 2.822 -10.485 3.911 1.00 0.00 O ATOM 474 CB LEU A 38 1.266 -8.366 5.526 1.00 0.00 C ATOM 475 CG LEU A 38 2.352 -7.331 5.910 1.00 0.00 C ATOM 476 CD1 LEU A 38 2.015 -6.693 7.225 1.00 0.00 C ATOM 477 CD2 LEU A 38 3.733 -7.950 6.053 1.00 0.00 C ATOM 0 H LEU A 38 -0.372 -10.057 4.566 1.00 0.00 H new ATOM 0 HA LEU A 38 1.010 -7.801 3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.298 -7.977 5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.446 -9.276 6.098 1.00 0.00 H new ATOM 0 HG LEU A 38 2.372 -6.602 5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.785 -5.967 7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.052 -6.188 7.148 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.963 -7.459 7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.452 -7.177 6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.711 -8.713 6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.027 -8.405 5.107 1.00 0.00 H new ATOM 489 N LEU A 39 3.052 -8.679 2.606 1.00 0.00 N ATOM 490 CA LEU A 39 4.271 -9.106 1.989 1.00 0.00 C ATOM 491 C LEU A 39 5.474 -8.578 2.745 1.00 0.00 C ATOM 492 O LEU A 39 6.260 -9.344 3.294 1.00 0.00 O ATOM 493 CB LEU A 39 4.308 -8.604 0.542 1.00 0.00 C ATOM 494 CG LEU A 39 3.132 -9.040 -0.334 1.00 0.00 C ATOM 495 CD1 LEU A 39 3.242 -8.457 -1.729 1.00 0.00 C ATOM 496 CD2 LEU A 39 3.059 -10.549 -0.391 1.00 0.00 C ATOM 0 H LEU A 39 2.710 -7.781 2.264 1.00 0.00 H new ATOM 0 HA LEU A 39 4.309 -10.195 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.346 -7.515 0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.232 -8.950 0.079 1.00 0.00 H new ATOM 0 HG LEU A 39 2.213 -8.659 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.392 -8.784 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.246 -7.369 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.167 -8.798 -2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.219 -10.849 -1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.984 -10.942 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.922 -10.945 0.615 1.00 0.00 H new ATOM 508 N MET A 40 5.543 -7.267 2.868 1.00 0.00 N ATOM 509 CA MET A 40 6.749 -6.620 3.303 1.00 0.00 C ATOM 510 C MET A 40 6.481 -5.200 3.779 1.00 0.00 C ATOM 511 O MET A 40 5.481 -4.582 3.397 1.00 0.00 O ATOM 512 CB MET A 40 7.669 -6.560 2.086 1.00 0.00 C ATOM 513 CG MET A 40 9.057 -6.115 2.424 1.00 0.00 C ATOM 514 SD MET A 40 10.198 -6.088 1.028 1.00 0.00 S ATOM 515 CE MET A 40 10.111 -7.790 0.475 1.00 0.00 C ATOM 0 H MET A 40 4.769 -6.632 2.670 1.00 0.00 H new ATOM 0 HA MET A 40 7.186 -7.172 4.135 1.00 0.00 H new ATOM 0 HB2 MET A 40 7.712 -7.545 1.621 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.244 -5.878 1.349 1.00 0.00 H new ATOM 0 HG2 MET A 40 9.009 -5.116 2.856 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.459 -6.775 3.192 1.00 0.00 H new ATOM 0 HE1 MET A 40 10.982 -8.018 -0.140 1.00 0.00 H new ATOM 0 HE2 MET A 40 10.094 -8.453 1.340 1.00 0.00 H new ATOM 0 HE3 MET A 40 9.204 -7.936 -0.112 1.00 0.00 H new ATOM 525 N TYR A 41 7.379 -4.713 4.617 1.00 0.00 N ATOM 526 CA TYR A 41 7.394 -3.347 5.104 1.00 0.00 C ATOM 527 C TYR A 41 8.542 -2.631 4.415 1.00 0.00 C ATOM 528 O TYR A 41 9.689 -3.055 4.536 1.00 0.00 O ATOM 529 CB TYR A 41 7.696 -3.298 6.600 1.00 0.00 C ATOM 530 CG TYR A 41 6.673 -3.885 7.534 1.00 0.00 C ATOM 531 CD1 TYR A 41 5.823 -3.055 8.247 1.00 0.00 C ATOM 532 CD2 TYR A 41 6.581 -5.255 7.737 1.00 0.00 C ATOM 533 CE1 TYR A 41 4.912 -3.571 9.139 1.00 0.00 C ATOM 534 CE2 TYR A 41 5.665 -5.780 8.620 1.00 0.00 C ATOM 535 CZ TYR A 41 4.838 -4.931 9.320 1.00 0.00 C ATOM 536 OH TYR A 41 3.942 -5.443 10.214 1.00 0.00 O ATOM 0 H TYR A 41 8.143 -5.277 4.989 1.00 0.00 H new ATOM 0 HA TYR A 41 6.422 -2.895 4.908 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.641 -3.813 6.769 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.847 -2.255 6.879 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.877 -1.986 8.100 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.238 -5.919 7.194 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.260 -2.912 9.693 1.00 0.00 H new ATOM 0 HE2 TYR A 41 5.596 -6.848 8.762 1.00 0.00 H new ATOM 0 HH TYR A 41 4.013 -6.420 10.225 1.00 0.00 H new ATOM 546 N VAL A 42 8.257 -1.592 3.688 1.00 0.00 N ATOM 547 CA VAL A 42 9.303 -0.824 3.055 1.00 0.00 C ATOM 548 C VAL A 42 9.296 0.550 3.675 1.00 0.00 C ATOM 549 O VAL A 42 8.319 1.276 3.547 1.00 0.00 O ATOM 550 CB VAL A 42 9.111 -0.693 1.535 1.00 0.00 C ATOM 551 CG1 VAL A 42 10.329 -0.047 0.887 1.00 0.00 C ATOM 552 CG2 VAL A 42 8.833 -2.042 0.923 1.00 0.00 C ATOM 0 H VAL A 42 7.311 -1.252 3.515 1.00 0.00 H new ATOM 0 HA VAL A 42 10.251 -1.340 3.209 1.00 0.00 H new ATOM 0 HB VAL A 42 8.252 -0.047 1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.169 0.035 -0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.481 0.947 1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.210 -0.660 1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.699 -1.933 -0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.672 -2.710 1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.926 -2.460 1.361 1.00 0.00 H new ATOM 562 N ARG A 43 10.348 0.877 4.385 1.00 0.00 N ATOM 563 CA ARG A 43 10.497 2.154 5.038 1.00 0.00 C ATOM 564 C ARG A 43 10.456 3.260 3.997 1.00 0.00 C ATOM 565 O ARG A 43 10.989 3.102 2.883 1.00 0.00 O ATOM 566 CB ARG A 43 11.862 2.220 5.710 1.00 0.00 C ATOM 567 CG ARG A 43 12.114 3.473 6.537 1.00 0.00 C ATOM 568 CD ARG A 43 13.595 3.759 6.542 1.00 0.00 C ATOM 569 NE ARG A 43 13.997 4.889 7.385 1.00 0.00 N ATOM 570 CZ ARG A 43 14.671 5.956 6.939 1.00 0.00 C ATOM 571 NH1 ARG A 43 14.674 6.252 5.641 1.00 0.00 N ATOM 572 NH2 ARG A 43 15.264 6.772 7.794 1.00 0.00 N ATOM 0 H ARG A 43 11.140 0.250 4.528 1.00 0.00 H new ATOM 0 HA ARG A 43 9.696 2.274 5.767 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.975 1.349 6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.632 2.149 4.942 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.567 4.318 6.119 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.753 3.332 7.556 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.123 2.866 6.878 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.917 3.953 5.519 1.00 0.00 H new ATOM 0 HE ARG A 43 13.747 4.860 8.374 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.162 5.665 4.983 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.189 7.066 5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.208 6.589 8.796 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.777 7.584 7.452 1.00 0.00 H new ATOM 586 N ILE A 44 9.829 4.356 4.354 1.00 0.00 N ATOM 587 CA ILE A 44 9.812 5.520 3.472 1.00 0.00 C ATOM 588 C ILE A 44 11.244 5.968 3.307 1.00 0.00 C ATOM 589 O ILE A 44 11.962 6.220 4.290 1.00 0.00 O ATOM 590 CB ILE A 44 9.009 6.732 3.985 1.00 0.00 C ATOM 591 CG1 ILE A 44 7.608 6.327 4.385 1.00 0.00 C ATOM 592 CG2 ILE A 44 8.961 7.845 2.940 1.00 0.00 C ATOM 593 CD1 ILE A 44 6.730 5.707 3.335 1.00 0.00 C ATOM 0 H ILE A 44 9.328 4.475 5.234 1.00 0.00 H new ATOM 0 HA ILE A 44 9.323 5.202 2.551 1.00 0.00 H new ATOM 0 HB ILE A 44 9.522 7.114 4.868 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.687 5.623 5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.100 7.213 4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.388 8.686 3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.975 8.172 2.710 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.486 7.472 2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.758 5.470 3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.599 6.408 2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.195 4.793 2.965 1.00 0.00 H new ATOM 605 N GLY A 45 11.655 6.003 2.091 1.00 0.00 N ATOM 606 CA GLY A 45 13.002 6.371 1.791 1.00 0.00 C ATOM 607 C GLY A 45 13.830 5.128 1.660 1.00 0.00 C ATOM 608 O GLY A 45 14.978 5.065 2.117 1.00 0.00 O ATOM 0 H GLY A 45 11.079 5.781 1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.038 6.946 0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.402 7.009 2.579 1.00 0.00 H new ATOM 612 N ASN A 46 13.200 4.101 1.139 1.00 0.00 N ATOM 613 CA ASN A 46 13.861 2.864 0.810 1.00 0.00 C ATOM 614 C ASN A 46 13.155 2.233 -0.369 1.00 0.00 C ATOM 615 O ASN A 46 12.015 2.580 -0.697 1.00 0.00 O ATOM 616 CB ASN A 46 13.867 1.917 2.001 1.00 0.00 C ATOM 617 CG ASN A 46 14.618 0.611 1.768 1.00 0.00 C ATOM 618 OD1 ASN A 46 15.607 0.575 1.027 1.00 0.00 O ATOM 619 ND2 ASN A 46 14.172 -0.461 2.378 1.00 0.00 N ATOM 0 H ASN A 46 12.202 4.103 0.930 1.00 0.00 H new ATOM 0 HA ASN A 46 14.900 3.068 0.549 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.312 2.430 2.854 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.836 1.685 2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.644 -1.356 2.247 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.353 -0.400 2.983 1.00 0.00 H new ATOM 626 N THR A 47 13.847 1.352 -1.004 1.00 0.00 N ATOM 627 CA THR A 47 13.358 0.603 -2.122 1.00 0.00 C ATOM 628 C THR A 47 13.434 -0.870 -1.787 1.00 0.00 C ATOM 629 O THR A 47 14.275 -1.298 -0.990 1.00 0.00 O ATOM 630 CB THR A 47 14.207 0.866 -3.359 1.00 0.00 C ATOM 631 OG1 THR A 47 15.600 0.855 -2.989 1.00 0.00 O ATOM 632 CG2 THR A 47 13.858 2.178 -4.035 1.00 0.00 C ATOM 0 H THR A 47 14.808 1.120 -0.753 1.00 0.00 H new ATOM 0 HA THR A 47 12.331 0.904 -2.328 1.00 0.00 H new ATOM 0 HB THR A 47 14.000 0.074 -4.079 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.151 1.022 -3.782 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.492 2.316 -4.911 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.813 2.162 -4.343 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.018 3.000 -3.338 1.00 0.00 H new ATOM 640 N ALA A 48 12.589 -1.646 -2.393 1.00 0.00 N ATOM 641 CA ALA A 48 12.568 -3.077 -2.101 1.00 0.00 C ATOM 642 C ALA A 48 12.109 -3.899 -3.283 1.00 0.00 C ATOM 643 O ALA A 48 11.232 -3.474 -4.036 1.00 0.00 O ATOM 644 CB ALA A 48 11.691 -3.370 -0.896 1.00 0.00 C ATOM 0 H ALA A 48 11.908 -1.335 -3.085 1.00 0.00 H new ATOM 0 HA ALA A 48 13.595 -3.365 -1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.691 -4.442 -0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.079 -2.840 -0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.673 -3.038 -1.098 1.00 0.00 H new ATOM 650 N THR A 49 12.714 -5.059 -3.445 1.00 0.00 N ATOM 651 CA THR A 49 12.362 -5.985 -4.497 1.00 0.00 C ATOM 652 C THR A 49 11.265 -6.904 -3.944 1.00 0.00 C ATOM 653 O THR A 49 11.527 -7.763 -3.098 1.00 0.00 O ATOM 654 CB THR A 49 13.586 -6.843 -4.873 1.00 0.00 C ATOM 655 OG1 THR A 49 14.779 -6.029 -4.879 1.00 0.00 O ATOM 656 CG2 THR A 49 13.403 -7.466 -6.249 1.00 0.00 C ATOM 0 H THR A 49 13.470 -5.386 -2.844 1.00 0.00 H new ATOM 0 HA THR A 49 12.024 -5.446 -5.382 1.00 0.00 H new ATOM 0 HB THR A 49 13.685 -7.636 -4.132 1.00 0.00 H new ATOM 0 HG1 THR A 49 14.689 -5.322 -5.552 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.278 -8.068 -6.495 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.516 -8.100 -6.246 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.284 -6.678 -6.992 1.00 0.00 H new ATOM 664 N ILE A 50 10.048 -6.710 -4.387 1.00 0.00 N ATOM 665 CA ILE A 50 8.923 -7.477 -3.876 1.00 0.00 C ATOM 666 C ILE A 50 8.664 -8.623 -4.808 1.00 0.00 C ATOM 667 O ILE A 50 8.281 -8.402 -5.938 1.00 0.00 O ATOM 668 CB ILE A 50 7.613 -6.653 -3.881 1.00 0.00 C ATOM 669 CG1 ILE A 50 7.830 -5.236 -3.363 1.00 0.00 C ATOM 670 CG2 ILE A 50 6.534 -7.357 -3.059 1.00 0.00 C ATOM 671 CD1 ILE A 50 8.325 -5.164 -1.950 1.00 0.00 C ATOM 0 H ILE A 50 9.803 -6.026 -5.103 1.00 0.00 H new ATOM 0 HA ILE A 50 9.178 -7.784 -2.862 1.00 0.00 H new ATOM 0 HB ILE A 50 7.281 -6.578 -4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.545 -4.730 -4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.891 -4.688 -3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.620 -6.763 -3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.335 -8.340 -3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.876 -7.471 -2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.452 -4.121 -1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.602 -5.638 -1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 50 9.281 -5.681 -1.873 1.00 0.00 H new ATOM 683 N THR A 51 8.904 -9.821 -4.386 1.00 0.00 N ATOM 684 CA THR A 51 8.537 -10.916 -5.232 1.00 0.00 C ATOM 685 C THR A 51 7.123 -11.328 -4.828 1.00 0.00 C ATOM 686 O THR A 51 6.862 -11.581 -3.649 1.00 0.00 O ATOM 687 CB THR A 51 9.516 -12.078 -5.052 1.00 0.00 C ATOM 688 OG1 THR A 51 10.857 -11.554 -5.075 1.00 0.00 O ATOM 689 CG2 THR A 51 9.361 -13.082 -6.179 1.00 0.00 C ATOM 0 H THR A 51 9.336 -10.066 -3.495 1.00 0.00 H new ATOM 0 HA THR A 51 8.569 -10.630 -6.283 1.00 0.00 H new ATOM 0 HB THR A 51 9.311 -12.577 -4.105 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.497 -12.287 -4.959 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.065 -13.902 -6.035 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.344 -13.473 -6.180 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.563 -12.593 -7.132 1.00 0.00 H new ATOM 697 N ALA A 52 6.220 -11.345 -5.778 1.00 0.00 N ATOM 698 CA ALA A 52 4.847 -11.719 -5.547 1.00 0.00 C ATOM 699 C ALA A 52 4.295 -12.340 -6.810 1.00 0.00 C ATOM 700 O ALA A 52 4.411 -11.754 -7.889 1.00 0.00 O ATOM 701 CB ALA A 52 4.024 -10.503 -5.140 1.00 0.00 C ATOM 0 H ALA A 52 6.421 -11.096 -6.746 1.00 0.00 H new ATOM 0 HA ALA A 52 4.794 -12.442 -4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.990 -10.804 -4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.433 -10.076 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.059 -9.758 -5.935 1.00 0.00 H new ATOM 707 N ARG A 53 3.786 -13.561 -6.678 1.00 0.00 N ATOM 708 CA ARG A 53 3.158 -14.320 -7.766 1.00 0.00 C ATOM 709 C ARG A 53 4.155 -14.614 -8.888 1.00 0.00 C ATOM 710 O ARG A 53 3.785 -14.817 -10.053 1.00 0.00 O ATOM 711 CB ARG A 53 1.906 -13.605 -8.286 1.00 0.00 C ATOM 712 CG ARG A 53 0.865 -13.362 -7.206 1.00 0.00 C ATOM 713 CD ARG A 53 -0.382 -12.717 -7.772 1.00 0.00 C ATOM 714 NE ARG A 53 -1.325 -12.333 -6.724 1.00 0.00 N ATOM 715 CZ ARG A 53 -2.654 -12.245 -6.867 1.00 0.00 C ATOM 716 NH1 ARG A 53 -3.227 -12.421 -8.058 1.00 0.00 N ATOM 717 NH2 ARG A 53 -3.401 -11.936 -5.825 1.00 0.00 N ATOM 0 H ARG A 53 3.797 -14.066 -5.792 1.00 0.00 H new ATOM 0 HA ARG A 53 2.839 -15.281 -7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.196 -12.650 -8.724 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.461 -14.199 -9.084 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.603 -14.308 -6.732 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.286 -12.723 -6.430 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.104 -11.836 -8.350 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.867 -13.409 -8.460 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.939 -12.113 -5.806 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.652 -12.626 -8.875 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.240 -12.351 -8.152 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.966 -11.766 -4.918 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.414 -11.867 -5.926 1.00 0.00 H new ATOM 731 N GLY A 54 5.417 -14.676 -8.501 1.00 0.00 N ATOM 732 CA GLY A 54 6.492 -14.966 -9.424 1.00 0.00 C ATOM 733 C GLY A 54 7.049 -13.730 -10.098 1.00 0.00 C ATOM 734 O GLY A 54 7.886 -13.834 -10.999 1.00 0.00 O ATOM 0 H GLY A 54 5.722 -14.527 -7.539 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.295 -15.473 -8.889 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.131 -15.656 -10.186 1.00 0.00 H new ATOM 738 N HIS A 55 6.589 -12.566 -9.694 1.00 0.00 N ATOM 739 CA HIS A 55 7.059 -11.319 -10.279 1.00 0.00 C ATOM 740 C HIS A 55 7.769 -10.500 -9.231 1.00 0.00 C ATOM 741 O HIS A 55 7.283 -10.376 -8.114 1.00 0.00 O ATOM 742 CB HIS A 55 5.901 -10.473 -10.834 1.00 0.00 C ATOM 743 CG HIS A 55 5.113 -11.087 -11.951 1.00 0.00 C ATOM 744 ND1 HIS A 55 4.999 -10.539 -13.209 1.00 0.00 N ATOM 745 CD2 HIS A 55 4.343 -12.196 -11.961 1.00 0.00 C ATOM 746 CE1 HIS A 55 4.178 -11.312 -13.924 1.00 0.00 C ATOM 747 NE2 HIS A 55 3.753 -12.338 -13.211 1.00 0.00 N ATOM 0 H HIS A 55 5.888 -12.452 -8.961 1.00 0.00 H new ATOM 0 HA HIS A 55 7.731 -11.582 -11.096 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.218 -10.248 -10.015 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.306 -9.523 -11.182 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.207 -12.868 -11.127 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.899 -11.123 -14.950 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.123 -13.080 -13.514 1.00 0.00 H new ATOM 755 N GLU A 56 8.925 -9.978 -9.567 1.00 0.00 N ATOM 756 CA GLU A 56 9.622 -9.081 -8.690 1.00 0.00 C ATOM 757 C GLU A 56 9.248 -7.665 -9.076 1.00 0.00 C ATOM 758 O GLU A 56 9.352 -7.281 -10.250 1.00 0.00 O ATOM 759 CB GLU A 56 11.144 -9.215 -8.777 1.00 0.00 C ATOM 760 CG GLU A 56 11.728 -10.544 -8.331 1.00 0.00 C ATOM 761 CD GLU A 56 11.468 -11.681 -9.284 1.00 0.00 C ATOM 762 OE1 GLU A 56 11.507 -11.466 -10.505 1.00 0.00 O ATOM 763 OE2 GLU A 56 11.306 -12.830 -8.842 1.00 0.00 O ATOM 0 H GLU A 56 9.402 -10.164 -10.449 1.00 0.00 H new ATOM 0 HA GLU A 56 9.332 -9.327 -7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.445 -9.038 -9.810 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.592 -8.425 -8.175 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.804 -10.431 -8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.316 -10.801 -7.355 1.00 0.00 H new ATOM 770 N PHE A 57 8.787 -6.905 -8.123 1.00 0.00 N ATOM 771 CA PHE A 57 8.444 -5.544 -8.349 1.00 0.00 C ATOM 772 C PHE A 57 9.351 -4.749 -7.460 1.00 0.00 C ATOM 773 O PHE A 57 9.235 -4.834 -6.246 1.00 0.00 O ATOM 774 CB PHE A 57 7.004 -5.279 -7.916 1.00 0.00 C ATOM 775 CG PHE A 57 5.955 -6.157 -8.530 1.00 0.00 C ATOM 776 CD1 PHE A 57 5.407 -5.850 -9.762 1.00 0.00 C ATOM 777 CD2 PHE A 57 5.496 -7.273 -7.853 1.00 0.00 C ATOM 778 CE1 PHE A 57 4.418 -6.645 -10.307 1.00 0.00 C ATOM 779 CE2 PHE A 57 4.515 -8.069 -8.392 1.00 0.00 C ATOM 780 CZ PHE A 57 3.973 -7.756 -9.618 1.00 0.00 C ATOM 0 H PHE A 57 8.641 -7.222 -7.164 1.00 0.00 H new ATOM 0 HA PHE A 57 8.542 -5.286 -9.404 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.947 -5.384 -6.833 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.762 -4.242 -8.149 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.755 -4.982 -10.302 1.00 0.00 H new ATOM 0 HD2 PHE A 57 5.914 -7.521 -6.889 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.994 -6.399 -11.269 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.169 -8.940 -7.854 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.199 -8.380 -10.041 1.00 0.00 H new ATOM 790 N GLU A 58 10.302 -4.055 -8.012 1.00 0.00 N ATOM 791 CA GLU A 58 11.115 -3.247 -7.145 1.00 0.00 C ATOM 792 C GLU A 58 10.428 -1.906 -6.985 1.00 0.00 C ATOM 793 O GLU A 58 10.289 -1.141 -7.948 1.00 0.00 O ATOM 794 CB GLU A 58 12.574 -3.160 -7.586 1.00 0.00 C ATOM 795 CG GLU A 58 13.448 -2.503 -6.549 1.00 0.00 C ATOM 796 CD GLU A 58 14.914 -2.762 -6.749 1.00 0.00 C ATOM 797 OE1 GLU A 58 15.370 -3.862 -6.372 1.00 0.00 O ATOM 798 OE2 GLU A 58 15.655 -1.869 -7.221 1.00 0.00 O ATOM 0 H GLU A 58 10.529 -4.027 -9.006 1.00 0.00 H new ATOM 0 HA GLU A 58 11.194 -3.720 -6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.949 -4.163 -7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.636 -2.599 -8.518 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.272 -1.427 -6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.156 -2.859 -5.561 1.00 0.00 H new ATOM 805 N VAL A 59 9.967 -1.655 -5.784 1.00 0.00 N ATOM 806 CA VAL A 59 9.168 -0.488 -5.480 1.00 0.00 C ATOM 807 C VAL A 59 10.036 0.589 -4.886 1.00 0.00 C ATOM 808 O VAL A 59 11.151 0.323 -4.414 1.00 0.00 O ATOM 809 CB VAL A 59 8.042 -0.795 -4.448 1.00 0.00 C ATOM 810 CG1 VAL A 59 7.216 -2.011 -4.811 1.00 0.00 C ATOM 811 CG2 VAL A 59 8.592 -0.941 -3.055 1.00 0.00 C ATOM 0 H VAL A 59 10.136 -2.260 -4.980 1.00 0.00 H new ATOM 0 HA VAL A 59 8.717 -0.168 -6.420 1.00 0.00 H new ATOM 0 HB VAL A 59 7.376 0.068 -4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.450 -2.170 -4.052 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.741 -1.852 -5.779 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.862 -2.887 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.778 -1.155 -2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.312 -1.759 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.086 -0.015 -2.760 1.00 0.00 H new ATOM 821 N GLU A 60 9.517 1.781 -4.923 1.00 0.00 N ATOM 822 CA GLU A 60 10.137 2.909 -4.307 1.00 0.00 C ATOM 823 C GLU A 60 9.169 3.432 -3.286 1.00 0.00 C ATOM 824 O GLU A 60 8.089 3.920 -3.645 1.00 0.00 O ATOM 825 CB GLU A 60 10.442 3.981 -5.349 1.00 0.00 C ATOM 826 CG GLU A 60 11.223 5.177 -4.852 1.00 0.00 C ATOM 827 CD GLU A 60 11.591 6.090 -5.994 1.00 0.00 C ATOM 828 OE1 GLU A 60 11.055 7.221 -6.089 1.00 0.00 O ATOM 829 OE2 GLU A 60 12.418 5.687 -6.846 1.00 0.00 O ATOM 0 H GLU A 60 8.636 1.997 -5.391 1.00 0.00 H new ATOM 0 HA GLU A 60 11.082 2.629 -3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.999 3.520 -6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.499 4.334 -5.766 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.630 5.725 -4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.127 4.841 -4.344 1.00 0.00 H new ATOM 836 N ALA A 61 9.495 3.266 -2.024 1.00 0.00 N ATOM 837 CA ALA A 61 8.660 3.863 -1.006 1.00 0.00 C ATOM 838 C ALA A 61 9.030 5.331 -0.951 1.00 0.00 C ATOM 839 O ALA A 61 9.943 5.753 -0.227 1.00 0.00 O ATOM 840 CB ALA A 61 8.818 3.188 0.346 1.00 0.00 C ATOM 0 H ALA A 61 10.302 2.742 -1.685 1.00 0.00 H new ATOM 0 HA ALA A 61 7.607 3.736 -1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.169 3.675 1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.544 2.136 0.262 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.855 3.268 0.674 1.00 0.00 H new ATOM 846 N LYS A 62 8.341 6.065 -1.793 1.00 0.00 N ATOM 847 CA LYS A 62 8.554 7.479 -2.016 1.00 0.00 C ATOM 848 C LYS A 62 8.023 8.368 -0.900 1.00 0.00 C ATOM 849 O LYS A 62 8.728 9.259 -0.422 1.00 0.00 O ATOM 850 CB LYS A 62 7.972 7.872 -3.381 1.00 0.00 C ATOM 851 CG LYS A 62 6.539 7.400 -3.598 1.00 0.00 C ATOM 852 CD LYS A 62 5.972 7.821 -4.946 1.00 0.00 C ATOM 853 CE LYS A 62 5.888 9.333 -5.069 1.00 0.00 C ATOM 854 NZ LYS A 62 5.264 9.771 -6.334 1.00 0.00 N ATOM 0 H LYS A 62 7.588 5.681 -2.364 1.00 0.00 H new ATOM 0 HA LYS A 62 9.631 7.648 -2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.006 8.957 -3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.604 7.459 -4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.504 6.313 -3.519 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.907 7.798 -2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.599 7.425 -5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.980 7.389 -5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.316 9.730 -4.231 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.891 9.755 -4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.233 10.810 -6.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.823 9.418 -7.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.297 9.394 -6.393 1.00 0.00 H new ATOM 868 N ASP A 63 6.795 8.133 -0.491 1.00 0.00 N ATOM 869 CA ASP A 63 6.149 8.925 0.535 1.00 0.00 C ATOM 870 C ASP A 63 5.165 8.053 1.253 1.00 0.00 C ATOM 871 O ASP A 63 4.820 6.977 0.762 1.00 0.00 O ATOM 872 CB ASP A 63 5.434 10.163 -0.013 1.00 0.00 C ATOM 873 CG ASP A 63 4.336 9.840 -0.991 1.00 0.00 C ATOM 874 OD1 ASP A 63 3.190 9.579 -0.576 1.00 0.00 O ATOM 875 OD2 ASP A 63 4.581 9.865 -2.210 1.00 0.00 O ATOM 0 H ASP A 63 6.213 7.383 -0.863 1.00 0.00 H new ATOM 0 HA ASP A 63 6.925 9.292 1.207 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.014 10.728 0.819 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.165 10.809 -0.500 1.00 0.00 H new ATOM 880 N GLN A 64 4.667 8.552 2.358 1.00 0.00 N ATOM 881 CA GLN A 64 3.833 7.782 3.254 1.00 0.00 C ATOM 882 C GLN A 64 2.343 7.847 2.971 1.00 0.00 C ATOM 883 O GLN A 64 1.525 7.522 3.832 1.00 0.00 O ATOM 884 CB GLN A 64 4.208 8.076 4.703 1.00 0.00 C ATOM 885 CG GLN A 64 4.346 9.544 5.034 1.00 0.00 C ATOM 886 CD GLN A 64 5.072 9.758 6.341 1.00 0.00 C ATOM 887 OE1 GLN A 64 5.008 8.931 7.252 1.00 0.00 O ATOM 888 NE2 GLN A 64 5.798 10.844 6.435 1.00 0.00 N ATOM 0 H GLN A 64 4.829 9.511 2.665 1.00 0.00 H new ATOM 0 HA GLN A 64 4.050 6.732 3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.452 7.640 5.355 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.150 7.576 4.929 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.885 10.048 4.232 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.357 9.999 5.089 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.827 11.507 5.660 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.334 11.027 7.283 1.00 0.00 H new ATOM 897 N ASN A 65 1.981 8.252 1.766 1.00 0.00 N ATOM 898 CA ASN A 65 0.599 8.088 1.341 1.00 0.00 C ATOM 899 C ASN A 65 0.509 6.665 0.789 1.00 0.00 C ATOM 900 O ASN A 65 -0.533 6.010 0.819 1.00 0.00 O ATOM 901 CB ASN A 65 0.181 9.140 0.317 1.00 0.00 C ATOM 902 CG ASN A 65 -1.273 9.021 -0.083 1.00 0.00 C ATOM 903 OD1 ASN A 65 -1.606 8.358 -1.057 1.00 0.00 O ATOM 904 ND2 ASN A 65 -2.145 9.659 0.653 1.00 0.00 N ATOM 0 H ASN A 65 2.602 8.684 1.082 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.093 8.232 2.171 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.360 10.133 0.729 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.807 9.046 -0.571 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.138 9.613 0.422 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.833 10.202 1.458 1.00 0.00 H new ATOM 911 N CYS A 66 1.665 6.215 0.322 1.00 0.00 N ATOM 912 CA CYS A 66 1.954 4.847 -0.071 1.00 0.00 C ATOM 913 C CYS A 66 1.290 4.271 -1.314 1.00 0.00 C ATOM 914 O CYS A 66 0.597 3.259 -1.238 1.00 0.00 O ATOM 915 CB CYS A 66 1.856 3.884 1.106 1.00 0.00 C ATOM 916 SG CYS A 66 3.048 4.233 2.438 1.00 0.00 S ATOM 0 H CYS A 66 2.469 6.830 0.201 1.00 0.00 H new ATOM 0 HA CYS A 66 2.987 4.948 -0.405 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.846 3.925 1.514 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.014 2.867 0.746 1.00 0.00 H new ATOM 921 N LYS A 67 1.417 4.924 -2.451 1.00 0.00 N ATOM 922 CA LYS A 67 1.083 4.252 -3.677 1.00 0.00 C ATOM 923 C LYS A 67 2.178 3.302 -4.068 1.00 0.00 C ATOM 924 O LYS A 67 3.360 3.502 -3.755 1.00 0.00 O ATOM 925 CB LYS A 67 0.818 5.208 -4.817 1.00 0.00 C ATOM 926 CG LYS A 67 -0.579 5.689 -4.905 1.00 0.00 C ATOM 927 CD LYS A 67 -0.940 6.425 -3.651 1.00 0.00 C ATOM 928 CE LYS A 67 -2.279 7.041 -3.808 1.00 0.00 C ATOM 929 NZ LYS A 67 -3.358 6.049 -4.033 1.00 0.00 N ATOM 0 H LYS A 67 1.739 5.887 -2.547 1.00 0.00 H new ATOM 0 HA LYS A 67 0.160 3.704 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.479 6.069 -4.713 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.079 4.717 -5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.694 6.344 -5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.255 4.847 -5.051 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.940 5.741 -2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.196 7.194 -3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.510 7.623 -2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.255 7.738 -4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.283 6.517 -3.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.261 5.641 -4.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.287 5.292 -3.323 1.00 0.00 H new ATOM 943 N VAL A 68 1.780 2.275 -4.745 1.00 0.00 N ATOM 944 CA VAL A 68 2.724 1.308 -5.228 1.00 0.00 C ATOM 945 C VAL A 68 3.215 1.738 -6.599 1.00 0.00 C ATOM 946 O VAL A 68 2.542 1.589 -7.633 1.00 0.00 O ATOM 947 CB VAL A 68 2.198 -0.150 -5.207 1.00 0.00 C ATOM 948 CG1 VAL A 68 0.896 -0.293 -5.987 1.00 0.00 C ATOM 949 CG2 VAL A 68 3.267 -1.104 -5.737 1.00 0.00 C ATOM 0 H VAL A 68 0.807 2.079 -4.979 1.00 0.00 H new ATOM 0 HA VAL A 68 3.567 1.287 -4.537 1.00 0.00 H new ATOM 0 HB VAL A 68 1.979 -0.414 -4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.561 -1.329 -5.948 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.135 0.351 -5.546 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.060 -0.003 -7.025 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.886 -2.125 -5.717 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.522 -0.832 -6.761 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.157 -1.037 -5.111 1.00 0.00 H new ATOM 959 N ILE A 69 4.373 2.322 -6.590 1.00 0.00 N ATOM 960 CA ILE A 69 4.977 2.810 -7.790 1.00 0.00 C ATOM 961 C ILE A 69 6.323 2.181 -7.822 1.00 0.00 C ATOM 962 O ILE A 69 7.048 2.177 -6.817 1.00 0.00 O ATOM 963 CB ILE A 69 5.060 4.357 -7.831 1.00 0.00 C ATOM 964 CG1 ILE A 69 3.639 4.921 -7.760 1.00 0.00 C ATOM 965 CG2 ILE A 69 5.734 4.819 -9.121 1.00 0.00 C ATOM 966 CD1 ILE A 69 3.545 6.417 -7.570 1.00 0.00 C ATOM 0 H ILE A 69 4.927 2.474 -5.747 1.00 0.00 H new ATOM 0 HA ILE A 69 4.383 2.551 -8.666 1.00 0.00 H new ATOM 0 HB ILE A 69 5.651 4.714 -6.988 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.114 4.655 -8.677 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.113 4.434 -6.939 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.785 5.908 -9.135 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.742 4.408 -9.172 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.157 4.472 -9.978 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.497 6.714 -7.533 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.035 6.697 -6.637 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.036 6.921 -8.403 1.00 0.00 H new ATOM 978 N LEU A 70 6.635 1.578 -8.925 1.00 0.00 N ATOM 979 CA LEU A 70 7.850 0.864 -8.983 1.00 0.00 C ATOM 980 C LEU A 70 8.959 1.760 -9.374 1.00 0.00 C ATOM 981 O LEU A 70 8.811 2.646 -10.218 1.00 0.00 O ATOM 982 CB LEU A 70 7.811 -0.369 -9.865 1.00 0.00 C ATOM 983 CG LEU A 70 6.766 -1.431 -9.530 1.00 0.00 C ATOM 984 CD1 LEU A 70 6.642 -1.677 -8.055 1.00 0.00 C ATOM 985 CD2 LEU A 70 5.455 -1.106 -10.138 1.00 0.00 C ATOM 0 H LEU A 70 6.073 1.570 -9.776 1.00 0.00 H new ATOM 0 HA LEU A 70 8.022 0.489 -7.974 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.646 -0.045 -10.893 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.794 -0.839 -9.833 1.00 0.00 H new ATOM 0 HG LEU A 70 7.118 -2.364 -9.969 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.885 -2.441 -7.876 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.600 -2.016 -7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.351 -0.753 -7.555 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.733 -1.881 -9.881 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.106 -0.145 -9.759 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.560 -1.052 -11.222 1.00 0.00 H new ATOM 997 N THR A 71 10.087 1.454 -8.829 1.00 0.00 N ATOM 998 CA THR A 71 11.278 2.280 -9.017 1.00 0.00 C ATOM 999 C THR A 71 11.904 2.014 -10.412 1.00 0.00 C ATOM 1000 O THR A 71 12.943 2.546 -10.778 1.00 0.00 O ATOM 1001 CB THR A 71 12.287 2.108 -7.841 1.00 0.00 C ATOM 1002 OG1 THR A 71 13.211 3.210 -7.777 1.00 0.00 O ATOM 1003 CG2 THR A 71 13.057 0.806 -7.949 1.00 0.00 C ATOM 0 H THR A 71 10.231 0.634 -8.240 1.00 0.00 H new ATOM 0 HA THR A 71 10.986 3.330 -8.997 1.00 0.00 H new ATOM 0 HB THR A 71 11.697 2.088 -6.924 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.757 3.997 -7.410 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.750 0.723 -7.112 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.360 -0.032 -7.928 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.615 0.790 -8.885 1.00 0.00 H new ATOM 1011 N ASN A 72 11.225 1.183 -11.191 1.00 0.00 N ATOM 1012 CA ASN A 72 11.613 0.890 -12.567 1.00 0.00 C ATOM 1013 C ASN A 72 10.813 1.788 -13.514 1.00 0.00 C ATOM 1014 O ASN A 72 10.958 1.727 -14.731 1.00 0.00 O ATOM 1015 CB ASN A 72 11.354 -0.585 -12.922 1.00 0.00 C ATOM 1016 CG ASN A 72 12.219 -1.579 -12.160 1.00 0.00 C ATOM 1017 OD1 ASN A 72 13.314 -1.932 -12.591 1.00 0.00 O ATOM 1018 ND2 ASN A 72 11.738 -2.064 -11.030 1.00 0.00 N ATOM 0 H ASN A 72 10.386 0.690 -10.886 1.00 0.00 H new ATOM 0 HA ASN A 72 12.681 1.081 -12.671 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.306 -0.813 -12.730 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.520 -0.723 -13.990 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.278 -2.746 -10.497 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.826 -1.757 -10.690 1.00 0.00 H new ATOM 1025 N GLY A 73 9.921 2.589 -12.942 1.00 0.00 N ATOM 1026 CA GLY A 73 9.118 3.516 -13.723 1.00 0.00 C ATOM 1027 C GLY A 73 7.854 2.836 -14.171 1.00 0.00 C ATOM 1028 O GLY A 73 7.268 3.159 -15.199 1.00 0.00 O ATOM 0 H GLY A 73 9.737 2.613 -11.939 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.878 4.396 -13.127 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.683 3.862 -14.589 1.00 0.00 H new ATOM 1032 N LYS A 74 7.449 1.871 -13.384 1.00 0.00 N ATOM 1033 CA LYS A 74 6.312 1.050 -13.685 1.00 0.00 C ATOM 1034 C LYS A 74 5.211 1.264 -12.674 1.00 0.00 C ATOM 1035 O LYS A 74 5.460 1.726 -11.552 1.00 0.00 O ATOM 1036 CB LYS A 74 6.773 -0.396 -13.606 1.00 0.00 C ATOM 1037 CG LYS A 74 7.874 -0.748 -14.577 1.00 0.00 C ATOM 1038 CD LYS A 74 7.324 -1.035 -15.959 1.00 0.00 C ATOM 1039 CE LYS A 74 8.410 -1.498 -16.902 1.00 0.00 C ATOM 1040 NZ LYS A 74 7.876 -1.848 -18.233 1.00 0.00 N ATOM 0 H LYS A 74 7.909 1.633 -12.505 1.00 0.00 H new ATOM 0 HA LYS A 74 5.923 1.301 -14.672 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.118 -0.601 -12.593 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.919 -1.048 -13.790 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.589 0.073 -14.632 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.417 -1.620 -14.212 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.549 -1.799 -15.892 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.853 -0.137 -16.358 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.158 -0.712 -17.007 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.915 -2.364 -16.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.654 -2.160 -18.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.181 -2.616 -18.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.416 -1.015 -18.653 1.00 0.00 H new ATOM 1054 N GLN A 75 4.012 0.930 -13.080 1.00 0.00 N ATOM 1055 CA GLN A 75 2.865 0.930 -12.198 1.00 0.00 C ATOM 1056 C GLN A 75 2.539 -0.520 -11.933 1.00 0.00 C ATOM 1057 O GLN A 75 2.665 -1.358 -12.827 1.00 0.00 O ATOM 1058 CB GLN A 75 1.666 1.661 -12.790 1.00 0.00 C ATOM 1059 CG GLN A 75 1.939 3.125 -13.066 1.00 0.00 C ATOM 1060 CD GLN A 75 0.720 3.872 -13.565 1.00 0.00 C ATOM 1061 OE1 GLN A 75 -0.415 3.566 -13.202 1.00 0.00 O ATOM 1062 NE2 GLN A 75 0.931 4.814 -14.444 1.00 0.00 N ATOM 0 H GLN A 75 3.800 0.648 -14.037 1.00 0.00 H new ATOM 0 HA GLN A 75 3.100 1.467 -11.279 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.372 1.171 -13.718 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.823 1.578 -12.104 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.300 3.599 -12.154 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.736 3.207 -13.805 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.884 5.045 -14.725 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.143 5.319 -14.850 1.00 0.00 H new ATOM 1071 N ALA A 76 2.167 -0.828 -10.727 1.00 0.00 N ATOM 1072 CA ALA A 76 1.956 -2.213 -10.346 1.00 0.00 C ATOM 1073 C ALA A 76 0.508 -2.642 -10.550 1.00 0.00 C ATOM 1074 O ALA A 76 -0.362 -1.785 -10.748 1.00 0.00 O ATOM 1075 CB ALA A 76 2.414 -2.442 -8.906 1.00 0.00 C ATOM 0 H ALA A 76 2.001 -0.149 -9.984 1.00 0.00 H new ATOM 0 HA ALA A 76 2.562 -2.840 -11.001 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.250 -3.485 -8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.475 -2.207 -8.820 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.844 -1.798 -8.236 1.00 0.00 H new ATOM 1081 N PRO A 77 0.237 -3.966 -10.599 1.00 0.00 N ATOM 1082 CA PRO A 77 -1.132 -4.508 -10.658 1.00 0.00 C ATOM 1083 C PRO A 77 -1.965 -4.010 -9.476 1.00 0.00 C ATOM 1084 O PRO A 77 -1.413 -3.731 -8.407 1.00 0.00 O ATOM 1085 CB PRO A 77 -0.903 -6.007 -10.529 1.00 0.00 C ATOM 1086 CG PRO A 77 0.463 -6.243 -11.046 1.00 0.00 C ATOM 1087 CD PRO A 77 1.249 -5.046 -10.637 1.00 0.00 C ATOM 0 HA PRO A 77 -1.669 -4.215 -11.560 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.991 -6.330 -9.492 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.642 -6.568 -11.101 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.890 -7.155 -10.629 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.459 -6.360 -12.130 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.721 -5.188 -9.665 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.045 -4.826 -11.349 1.00 0.00 H new ATOM 1095 N ASP A 78 -3.281 -3.930 -9.659 1.00 0.00 N ATOM 1096 CA ASP A 78 -4.192 -3.391 -8.634 1.00 0.00 C ATOM 1097 C ASP A 78 -4.130 -4.193 -7.343 1.00 0.00 C ATOM 1098 O ASP A 78 -4.331 -3.643 -6.258 1.00 0.00 O ATOM 1099 CB ASP A 78 -5.657 -3.295 -9.112 1.00 0.00 C ATOM 1100 CG ASP A 78 -6.366 -4.628 -9.273 1.00 0.00 C ATOM 1101 OD1 ASP A 78 -6.254 -5.252 -10.351 1.00 0.00 O ATOM 1102 OD2 ASP A 78 -7.066 -5.072 -8.342 1.00 0.00 O ATOM 0 H ASP A 78 -3.750 -4.233 -10.513 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.839 -2.378 -8.443 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.216 -2.686 -8.402 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.678 -2.771 -10.068 1.00 0.00 H new ATOM 1107 N TRP A 79 -3.814 -5.477 -7.462 1.00 0.00 N ATOM 1108 CA TRP A 79 -3.718 -6.359 -6.314 1.00 0.00 C ATOM 1109 C TRP A 79 -2.478 -6.081 -5.478 1.00 0.00 C ATOM 1110 O TRP A 79 -2.374 -6.531 -4.350 1.00 0.00 O ATOM 1111 CB TRP A 79 -3.779 -7.840 -6.722 1.00 0.00 C ATOM 1112 CG TRP A 79 -2.742 -8.288 -7.702 1.00 0.00 C ATOM 1113 CD1 TRP A 79 -2.920 -8.407 -9.036 1.00 0.00 C ATOM 1114 CD2 TRP A 79 -1.381 -8.683 -7.439 1.00 0.00 C ATOM 1115 NE1 TRP A 79 -1.780 -8.863 -9.632 1.00 0.00 N ATOM 1116 CE2 TRP A 79 -0.814 -9.031 -8.679 1.00 0.00 C ATOM 1117 CE3 TRP A 79 -0.587 -8.781 -6.287 1.00 0.00 C ATOM 1118 CZ2 TRP A 79 0.503 -9.458 -8.806 1.00 0.00 C ATOM 1119 CZ3 TRP A 79 0.720 -9.204 -6.420 1.00 0.00 C ATOM 1120 CH2 TRP A 79 1.251 -9.536 -7.668 1.00 0.00 C ATOM 0 H TRP A 79 -3.619 -5.931 -8.354 1.00 0.00 H new ATOM 0 HA TRP A 79 -4.588 -6.147 -5.692 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -3.689 -8.449 -5.823 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -4.763 -8.040 -7.146 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.836 -8.174 -9.558 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.667 -9.049 -10.629 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -0.990 -8.531 -5.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 0.918 -9.718 -9.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.344 -9.280 -5.542 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.278 -9.862 -7.734 1.00 0.00 H new ATOM 1131 N LEU A 80 -1.531 -5.361 -6.017 1.00 0.00 N ATOM 1132 CA LEU A 80 -0.362 -5.063 -5.259 1.00 0.00 C ATOM 1133 C LEU A 80 -0.669 -3.769 -4.539 1.00 0.00 C ATOM 1134 O LEU A 80 -0.729 -2.708 -5.145 1.00 0.00 O ATOM 1135 CB LEU A 80 0.867 -4.945 -6.164 1.00 0.00 C ATOM 1136 CG LEU A 80 2.210 -4.913 -5.435 1.00 0.00 C ATOM 1137 CD1 LEU A 80 2.437 -6.216 -4.704 1.00 0.00 C ATOM 1138 CD2 LEU A 80 3.360 -4.671 -6.387 1.00 0.00 C ATOM 0 H LEU A 80 -1.550 -4.979 -6.962 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.120 -5.855 -4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.869 -5.785 -6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.774 -4.038 -6.761 1.00 0.00 H new ATOM 0 HG LEU A 80 2.174 -4.087 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.397 -6.182 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.640 -6.369 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.439 -7.039 -5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.297 -4.655 -5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.392 -5.469 -7.129 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.221 -3.714 -6.890 1.00 0.00 H new ATOM 1150 N ALA A 81 -0.953 -3.876 -3.277 1.00 0.00 N ATOM 1151 CA ALA A 81 -1.348 -2.737 -2.485 1.00 0.00 C ATOM 1152 C ALA A 81 -0.239 -2.316 -1.570 1.00 0.00 C ATOM 1153 O ALA A 81 0.693 -3.071 -1.304 1.00 0.00 O ATOM 1154 CB ALA A 81 -2.584 -3.048 -1.654 1.00 0.00 C ATOM 0 H ALA A 81 -0.919 -4.755 -2.760 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.577 -1.926 -3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.858 -2.171 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.409 -3.315 -2.315 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.372 -3.881 -0.984 1.00 0.00 H new ATOM 1160 N ALA A 82 -0.367 -1.114 -1.095 1.00 0.00 N ATOM 1161 CA ALA A 82 0.549 -0.530 -0.156 1.00 0.00 C ATOM 1162 C ALA A 82 -0.221 0.438 0.714 1.00 0.00 C ATOM 1163 O ALA A 82 -1.070 1.163 0.207 1.00 0.00 O ATOM 1164 CB ALA A 82 1.682 0.187 -0.873 1.00 0.00 C ATOM 0 H ALA A 82 -1.133 -0.493 -1.356 1.00 0.00 H new ATOM 0 HA ALA A 82 0.996 -1.314 0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.361 0.620 -0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.226 -0.523 -1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.272 0.979 -1.500 1.00 0.00 H new ATOM 1170 N GLU A 83 0.014 0.391 2.004 1.00 0.00 N ATOM 1171 CA GLU A 83 -0.579 1.318 2.943 1.00 0.00 C ATOM 1172 C GLU A 83 0.438 1.558 4.036 1.00 0.00 C ATOM 1173 O GLU A 83 1.229 0.663 4.303 1.00 0.00 O ATOM 1174 CB GLU A 83 -1.902 0.782 3.512 1.00 0.00 C ATOM 1175 CG GLU A 83 -1.864 -0.597 4.121 1.00 0.00 C ATOM 1176 CD GLU A 83 -3.197 -0.973 4.713 1.00 0.00 C ATOM 1177 OE1 GLU A 83 -3.274 -1.360 5.908 1.00 0.00 O ATOM 1178 OE2 GLU A 83 -4.220 -0.870 4.004 1.00 0.00 O ATOM 0 H GLU A 83 0.628 -0.298 2.437 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.829 2.254 2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.254 1.480 4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.642 0.781 2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.584 -1.325 3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.097 -0.634 4.895 1.00 0.00 H new ATOM 1185 N PRO A 84 0.510 2.750 4.625 1.00 0.00 N ATOM 1186 CA PRO A 84 1.463 3.017 5.689 1.00 0.00 C ATOM 1187 C PRO A 84 1.046 2.282 6.976 1.00 0.00 C ATOM 1188 O PRO A 84 -0.121 2.327 7.389 1.00 0.00 O ATOM 1189 CB PRO A 84 1.431 4.545 5.761 1.00 0.00 C ATOM 1190 CG PRO A 84 0.018 4.867 5.455 1.00 0.00 C ATOM 1191 CD PRO A 84 -0.294 3.949 4.313 1.00 0.00 C ATOM 0 HA PRO A 84 2.478 2.655 5.527 1.00 0.00 H new ATOM 0 HB2 PRO A 84 1.723 4.908 6.746 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.112 4.997 5.040 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.633 4.684 6.310 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -0.107 5.914 5.178 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.358 3.719 4.259 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -0.013 4.386 3.355 1.00 0.00 H new ATOM 1199 N TYR A 85 2.012 1.572 7.544 1.00 0.00 N ATOM 1200 CA TYR A 85 1.830 0.645 8.656 1.00 0.00 C ATOM 1201 C TYR A 85 1.120 1.219 9.884 1.00 0.00 C ATOM 1202 O TYR A 85 1.582 2.206 10.480 1.00 0.00 O ATOM 1203 CB TYR A 85 3.147 -0.115 8.944 1.00 0.00 C ATOM 1204 CG TYR A 85 4.081 0.346 10.037 1.00 0.00 C ATOM 1205 CD1 TYR A 85 4.258 -0.434 11.170 1.00 0.00 C ATOM 1206 CD2 TYR A 85 4.826 1.506 9.918 1.00 0.00 C ATOM 1207 CE1 TYR A 85 5.157 -0.079 12.146 1.00 0.00 C ATOM 1208 CE2 TYR A 85 5.720 1.879 10.904 1.00 0.00 C ATOM 1209 CZ TYR A 85 5.886 1.078 12.010 1.00 0.00 C ATOM 1210 OH TYR A 85 6.808 1.411 12.973 1.00 0.00 O ATOM 1211 OXT TYR A 85 0.070 0.655 10.266 1.00 0.00 O ATOM 0 H TYR A 85 2.981 1.627 7.232 1.00 0.00 H new ATOM 0 HA TYR A 85 1.099 -0.096 8.333 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.879 -1.148 9.166 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.720 -0.127 8.017 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.678 -1.338 11.287 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.707 2.128 9.043 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.290 -0.706 13.015 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.285 2.794 10.807 1.00 0.00 H new ATOM 0 HH TYR A 85 7.242 2.256 12.732 1.00 0.00 H new TER 1221 TYR A 85