USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 778 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00488 (180deg=-0.146) USER MOD Single : A 3 SER OG : rot 180:sc= 0.189 USER MOD Single : A 5 TYR OH : rot 180:sc= -0.639 USER MOD Single : A 8 MET CE :methyl 170:sc= 0 (180deg=-0.121) USER MOD Single : A 12 THR OG1 : rot -90:sc= 0.415 USER MOD Single : A 16 HIS : no HD1:sc= -0.0136 K(o=-0.014,f=-0.68) USER MOD Single : A 18 THR OG1 : rot 83:sc= 0.815 USER MOD Single : A 23 LYS NZ :NH3+ -146:sc= -1.79! (180deg=-3.91!) USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= -1.6! (180deg=-2.18!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 34 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.11) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -40:sc= 1 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.044 USER MOD Single : A 51 HIS : no HD1:sc= -0.0538 X(o=-0.054,f=-0.0054) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 55 SER OG : rot -96:sc= 0.98 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -84:sc= 0.439 USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0662) USER MOD Single : A 67 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.0054) USER MOD Single : A 70 GLN : amide:sc= -3.8! K(o=-3.8!,f=-1.1) USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= -0.0515 (180deg=-0.286) USER MOD Single : A 73 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.45) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 126:sc= -0.206 (180deg=-0.872) USER MOD Single : A 76 HIS : no HD1:sc= -0.0344 X(o=-0.034,f=-0.052) USER MOD Single : A 79 ASN : amide:sc= -0.714 K(o=-0.71,f=-1.5!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -146:sc= -1.95! (180deg=-3.81!) USER MOD Single : A 86 LYS NZ :NH3+ -145:sc= -1.59 (180deg=-3.62!) USER MOD Single : A 91 LYS NZ :NH3+ 164:sc= -0.076 (180deg=-0.386) USER MOD Single : A 93 MET CE :methyl -174:sc= -0.929 (180deg=-0.99) USER MOD Single : A 94 THR OG1 : rot 86:sc= 0.883 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.473 -1.323 14.639 1.00 0.00 N ATOM 2 CA MET A 1 -8.284 -0.456 14.440 1.00 0.00 C ATOM 3 C MET A 1 -8.092 -0.124 12.964 1.00 0.00 C ATOM 4 O MET A 1 -8.132 -1.008 12.109 1.00 0.00 O ATOM 5 CB MET A 1 -7.031 -1.148 14.980 1.00 0.00 C ATOM 6 CG MET A 1 -7.074 -1.398 16.479 1.00 0.00 C ATOM 7 SD MET A 1 -5.560 -2.155 17.100 1.00 0.00 S ATOM 8 CE MET A 1 -5.933 -2.273 18.847 1.00 0.00 C ATOM 0 H1 MET A 1 -9.703 -1.369 15.652 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.282 -0.928 14.118 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.268 -2.280 14.287 1.00 0.00 H new ATOM 0 HA MET A 1 -8.448 0.473 14.986 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.901 -2.100 14.465 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.159 -0.537 14.747 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.242 -0.453 16.996 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.921 -2.044 16.712 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.089 -2.723 19.370 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.118 -1.276 19.248 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.819 -2.891 18.989 1.00 0.00 H new ATOM 20 N GLU A 2 -7.883 1.157 12.671 1.00 0.00 N ATOM 21 CA GLU A 2 -7.682 1.604 11.297 1.00 0.00 C ATOM 22 C GLU A 2 -6.341 1.115 10.760 1.00 0.00 C ATOM 23 O GLU A 2 -6.194 0.869 9.563 1.00 0.00 O ATOM 24 CB GLU A 2 -7.754 3.130 11.212 1.00 0.00 C ATOM 25 CG GLU A 2 -6.686 3.836 12.033 1.00 0.00 C ATOM 26 CD GLU A 2 -6.808 5.346 11.970 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.396 5.933 10.947 1.00 0.00 O ATOM 28 OE2 GLU A 2 -7.318 5.941 12.942 1.00 0.00 O ATOM 0 H GLU A 2 -7.849 1.902 13.366 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.478 1.180 10.685 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.658 3.432 10.169 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.737 3.459 11.550 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.757 3.512 13.071 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.701 3.539 11.674 1.00 0.00 H new ATOM 35 N SER A 3 -5.365 0.977 11.654 1.00 0.00 N ATOM 36 CA SER A 3 -4.035 0.514 11.269 1.00 0.00 C ATOM 37 C SER A 3 -4.102 -0.886 10.669 1.00 0.00 C ATOM 38 O SER A 3 -3.248 -1.272 9.871 1.00 0.00 O ATOM 39 CB SER A 3 -3.098 0.520 12.478 1.00 0.00 C ATOM 40 OG SER A 3 -2.961 1.826 13.012 1.00 0.00 O ATOM 0 H SER A 3 -5.470 1.179 12.648 1.00 0.00 H new ATOM 0 HA SER A 3 -3.644 1.196 10.514 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.485 -0.151 13.245 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.120 0.139 12.185 1.00 0.00 H new ATOM 0 HG SER A 3 -2.359 1.802 13.785 1.00 0.00 H new ATOM 46 N GLU A 4 -5.122 -1.642 11.061 1.00 0.00 N ATOM 47 CA GLU A 4 -5.305 -3.000 10.561 1.00 0.00 C ATOM 48 C GLU A 4 -5.714 -2.985 9.092 1.00 0.00 C ATOM 49 O GLU A 4 -5.408 -3.912 8.342 1.00 0.00 O ATOM 50 CB GLU A 4 -6.360 -3.731 11.394 1.00 0.00 C ATOM 51 CG GLU A 4 -6.565 -5.180 10.984 1.00 0.00 C ATOM 52 CD GLU A 4 -7.639 -5.870 11.804 1.00 0.00 C ATOM 53 OE1 GLU A 4 -7.304 -6.429 12.870 1.00 0.00 O ATOM 54 OE2 GLU A 4 -8.813 -5.851 11.380 1.00 0.00 O ATOM 0 H GLU A 4 -5.835 -1.337 11.724 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.356 -3.528 10.648 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.069 -3.697 12.444 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.309 -3.201 11.309 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.836 -5.221 9.929 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.625 -5.721 11.093 1.00 0.00 H new ATOM 61 N TYR A 5 -6.409 -1.926 8.688 1.00 0.00 N ATOM 62 CA TYR A 5 -6.866 -1.784 7.309 1.00 0.00 C ATOM 63 C TYR A 5 -5.794 -1.138 6.435 1.00 0.00 C ATOM 64 O TYR A 5 -5.709 -1.414 5.239 1.00 0.00 O ATOM 65 CB TYR A 5 -8.151 -0.950 7.269 1.00 0.00 C ATOM 66 CG TYR A 5 -8.598 -0.577 5.872 1.00 0.00 C ATOM 67 CD1 TYR A 5 -8.802 -1.549 4.901 1.00 0.00 C ATOM 68 CD2 TYR A 5 -8.812 0.752 5.524 1.00 0.00 C ATOM 69 CE1 TYR A 5 -9.208 -1.209 3.624 1.00 0.00 C ATOM 70 CE2 TYR A 5 -9.219 1.100 4.250 1.00 0.00 C ATOM 71 CZ TYR A 5 -9.415 0.116 3.305 1.00 0.00 C ATOM 72 OH TYR A 5 -9.819 0.459 2.034 1.00 0.00 O ATOM 0 H TYR A 5 -6.669 -1.151 9.298 1.00 0.00 H new ATOM 0 HA TYR A 5 -7.068 -2.779 6.913 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.950 -1.508 7.758 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.999 -0.038 7.847 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.641 -2.588 5.148 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.658 1.525 6.262 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.362 -1.977 2.881 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -9.383 2.137 3.996 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.921 1.432 1.974 1.00 0.00 H new ATOM 82 N ARG A 6 -4.975 -0.284 7.037 1.00 0.00 N ATOM 83 CA ARG A 6 -3.919 0.406 6.305 1.00 0.00 C ATOM 84 C ARG A 6 -2.682 -0.474 6.144 1.00 0.00 C ATOM 85 O ARG A 6 -2.265 -0.776 5.026 1.00 0.00 O ATOM 86 CB ARG A 6 -3.537 1.702 7.025 1.00 0.00 C ATOM 87 CG ARG A 6 -4.708 2.644 7.245 1.00 0.00 C ATOM 88 CD ARG A 6 -4.268 3.939 7.908 1.00 0.00 C ATOM 89 NE ARG A 6 -3.765 3.722 9.262 1.00 0.00 N ATOM 90 CZ ARG A 6 -3.286 4.694 10.033 1.00 0.00 C ATOM 91 NH1 ARG A 6 -3.241 5.941 9.581 1.00 0.00 N ATOM 92 NH2 ARG A 6 -2.850 4.420 11.255 1.00 0.00 N ATOM 0 H ARG A 6 -5.021 -0.053 8.029 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.304 0.639 5.312 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.094 1.455 7.990 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.771 2.217 6.446 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.181 2.867 6.289 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.458 2.154 7.865 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.491 4.409 7.305 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.109 4.632 7.941 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.782 2.773 9.637 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.574 6.155 8.641 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.873 6.685 10.174 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.882 3.462 11.605 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.483 5.167 11.845 1.00 0.00 H new ATOM 106 N GLU A 7 -2.104 -0.882 7.269 1.00 0.00 N ATOM 107 CA GLU A 7 -0.903 -1.713 7.265 1.00 0.00 C ATOM 108 C GLU A 7 -1.089 -2.989 6.446 1.00 0.00 C ATOM 109 O GLU A 7 -0.291 -3.285 5.556 1.00 0.00 O ATOM 110 CB GLU A 7 -0.517 -2.072 8.700 1.00 0.00 C ATOM 111 CG GLU A 7 0.812 -2.800 8.811 1.00 0.00 C ATOM 112 CD GLU A 7 1.223 -3.048 10.249 1.00 0.00 C ATOM 113 OE1 GLU A 7 0.832 -4.094 10.807 1.00 0.00 O ATOM 114 OE2 GLU A 7 1.937 -2.195 10.818 1.00 0.00 O ATOM 0 H GLU A 7 -2.449 -0.650 8.200 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.106 -1.135 6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.472 -1.159 9.294 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.300 -2.695 9.132 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.745 -3.753 8.287 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.585 -2.216 8.312 1.00 0.00 H new ATOM 121 N MET A 8 -2.144 -3.739 6.747 1.00 0.00 N ATOM 122 CA MET A 8 -2.421 -4.993 6.048 1.00 0.00 C ATOM 123 C MET A 8 -2.574 -4.785 4.542 1.00 0.00 C ATOM 124 O MET A 8 -1.946 -5.482 3.747 1.00 0.00 O ATOM 125 CB MET A 8 -3.689 -5.640 6.612 1.00 0.00 C ATOM 126 CG MET A 8 -4.062 -6.950 5.937 1.00 0.00 C ATOM 127 SD MET A 8 -2.802 -8.222 6.135 1.00 0.00 S ATOM 128 CE MET A 8 -3.589 -9.606 5.315 1.00 0.00 C ATOM 0 H MET A 8 -2.823 -3.502 7.470 1.00 0.00 H new ATOM 0 HA MET A 8 -1.568 -5.652 6.209 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.551 -5.818 7.679 1.00 0.00 H new ATOM 0 HB3 MET A 8 -4.519 -4.940 6.510 1.00 0.00 H new ATOM 0 HG2 MET A 8 -5.004 -7.311 6.350 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.228 -6.772 4.875 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.869 -10.416 5.196 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.430 -9.954 5.915 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.948 -9.292 4.335 1.00 0.00 H new ATOM 138 N LEU A 9 -3.402 -3.819 4.158 1.00 0.00 N ATOM 139 CA LEU A 9 -3.648 -3.534 2.745 1.00 0.00 C ATOM 140 C LEU A 9 -2.360 -3.181 2.006 1.00 0.00 C ATOM 141 O LEU A 9 -2.220 -3.463 0.816 1.00 0.00 O ATOM 142 CB LEU A 9 -4.665 -2.401 2.601 1.00 0.00 C ATOM 143 CG LEU A 9 -5.100 -2.095 1.166 1.00 0.00 C ATOM 144 CD1 LEU A 9 -6.566 -1.692 1.128 1.00 0.00 C ATOM 145 CD2 LEU A 9 -4.232 -0.998 0.566 1.00 0.00 C ATOM 0 H LEU A 9 -3.915 -3.219 4.804 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.052 -4.440 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.550 -2.652 3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.241 -1.496 3.036 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.974 -2.999 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.858 -1.478 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.177 -2.506 1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.715 -0.802 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.557 -0.794 -0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.326 -0.092 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.191 -1.321 0.558 1.00 0.00 H new ATOM 157 N LEU A 10 -1.424 -2.556 2.711 1.00 0.00 N ATOM 158 CA LEU A 10 -0.156 -2.154 2.110 1.00 0.00 C ATOM 159 C LEU A 10 0.809 -3.331 1.975 1.00 0.00 C ATOM 160 O LEU A 10 1.214 -3.685 0.869 1.00 0.00 O ATOM 161 CB LEU A 10 0.490 -1.046 2.944 1.00 0.00 C ATOM 162 CG LEU A 10 -0.278 0.277 2.967 1.00 0.00 C ATOM 163 CD1 LEU A 10 0.261 1.190 4.056 1.00 0.00 C ATOM 164 CD2 LEU A 10 -0.199 0.961 1.610 1.00 0.00 C ATOM 0 H LEU A 10 -1.518 -2.317 3.698 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.370 -1.783 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.602 -1.401 3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.493 -0.860 2.559 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.324 0.063 3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.298 2.126 4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.154 0.703 5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.315 1.397 3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.750 1.901 1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.844 1.161 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.634 0.312 0.850 1.00 0.00 H new ATOM 176 N LEU A 11 1.169 -3.933 3.106 1.00 0.00 N ATOM 177 CA LEU A 11 2.104 -5.056 3.123 1.00 0.00 C ATOM 178 C LEU A 11 1.653 -6.199 2.212 1.00 0.00 C ATOM 179 O LEU A 11 2.476 -6.986 1.745 1.00 0.00 O ATOM 180 CB LEU A 11 2.285 -5.565 4.556 1.00 0.00 C ATOM 181 CG LEU A 11 1.030 -6.158 5.207 1.00 0.00 C ATOM 182 CD1 LEU A 11 0.907 -7.642 4.896 1.00 0.00 C ATOM 183 CD2 LEU A 11 1.057 -5.930 6.709 1.00 0.00 C ATOM 0 H LEU A 11 0.826 -3.660 4.027 1.00 0.00 H new ATOM 0 HA LEU A 11 3.057 -4.693 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.068 -6.324 4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.639 -4.740 5.174 1.00 0.00 H new ATOM 0 HG LEU A 11 0.158 -5.652 4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.009 -8.040 5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.842 -7.783 3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.782 -8.168 5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.160 -6.356 7.158 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.939 -6.410 7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.092 -4.860 6.914 1.00 0.00 H new ATOM 195 N THR A 12 0.351 -6.290 1.961 1.00 0.00 N ATOM 196 CA THR A 12 -0.185 -7.349 1.108 1.00 0.00 C ATOM 197 C THR A 12 0.291 -7.204 -0.335 1.00 0.00 C ATOM 198 O THR A 12 -0.027 -8.033 -1.187 1.00 0.00 O ATOM 199 CB THR A 12 -1.724 -7.374 1.130 1.00 0.00 C ATOM 200 OG1 THR A 12 -2.238 -6.038 1.113 1.00 0.00 O ATOM 201 CG2 THR A 12 -2.238 -8.108 2.358 1.00 0.00 C ATOM 0 H THR A 12 -0.350 -5.649 2.332 1.00 0.00 H new ATOM 0 HA THR A 12 0.191 -8.288 1.514 1.00 0.00 H new ATOM 0 HB THR A 12 -2.068 -7.904 0.242 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.343 -5.716 2.033 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.328 -8.112 2.350 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.872 -9.135 2.348 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.883 -7.605 3.258 1.00 0.00 H new ATOM 209 N GLY A 13 1.047 -6.144 -0.604 1.00 0.00 N ATOM 210 CA GLY A 13 1.557 -5.917 -1.944 1.00 0.00 C ATOM 211 C GLY A 13 3.070 -5.805 -1.984 1.00 0.00 C ATOM 212 O GLY A 13 3.699 -6.173 -2.977 1.00 0.00 O ATOM 0 H GLY A 13 1.315 -5.438 0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.240 -6.734 -2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.118 -5.003 -2.345 1.00 0.00 H new ATOM 216 N LEU A 14 3.657 -5.291 -0.905 1.00 0.00 N ATOM 217 CA LEU A 14 5.106 -5.132 -0.824 1.00 0.00 C ATOM 218 C LEU A 14 5.795 -6.482 -0.651 1.00 0.00 C ATOM 219 O LEU A 14 6.718 -6.819 -1.394 1.00 0.00 O ATOM 220 CB LEU A 14 5.486 -4.211 0.342 1.00 0.00 C ATOM 221 CG LEU A 14 5.260 -2.712 0.113 1.00 0.00 C ATOM 222 CD1 LEU A 14 6.007 -2.233 -1.124 1.00 0.00 C ATOM 223 CD2 LEU A 14 3.776 -2.404 -0.005 1.00 0.00 C ATOM 0 H LEU A 14 3.152 -4.978 -0.076 1.00 0.00 H new ATOM 0 HA LEU A 14 5.441 -4.683 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.916 -4.515 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.539 -4.368 0.576 1.00 0.00 H new ATOM 0 HG LEU A 14 5.654 -2.175 0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.831 -1.167 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.075 -2.411 -0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.651 -2.778 -1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.638 -1.335 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.356 -2.956 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.269 -2.700 0.913 1.00 0.00 H new ATOM 235 N ASP A 15 5.341 -7.248 0.335 1.00 0.00 N ATOM 236 CA ASP A 15 5.914 -8.560 0.616 1.00 0.00 C ATOM 237 C ASP A 15 5.392 -9.607 -0.365 1.00 0.00 C ATOM 238 O ASP A 15 5.678 -10.798 -0.229 1.00 0.00 O ATOM 239 CB ASP A 15 5.588 -8.977 2.054 1.00 0.00 C ATOM 240 CG ASP A 15 6.341 -10.220 2.482 1.00 0.00 C ATOM 241 OD1 ASP A 15 7.543 -10.107 2.803 1.00 0.00 O ATOM 242 OD2 ASP A 15 5.728 -11.309 2.498 1.00 0.00 O ATOM 0 H ASP A 15 4.576 -6.982 0.955 1.00 0.00 H new ATOM 0 HA ASP A 15 6.996 -8.493 0.498 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.831 -8.158 2.731 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.517 -9.156 2.143 1.00 0.00 H new ATOM 247 N HIS A 16 4.628 -9.157 -1.356 1.00 0.00 N ATOM 248 CA HIS A 16 4.068 -10.055 -2.360 1.00 0.00 C ATOM 249 C HIS A 16 4.699 -9.813 -3.728 1.00 0.00 C ATOM 250 O HIS A 16 4.220 -10.325 -4.740 1.00 0.00 O ATOM 251 CB HIS A 16 2.552 -9.873 -2.446 1.00 0.00 C ATOM 252 CG HIS A 16 1.803 -10.555 -1.343 1.00 0.00 C ATOM 253 ND1 HIS A 16 1.731 -10.078 -0.053 1.00 0.00 N ATOM 254 CD2 HIS A 16 1.082 -11.705 -1.359 1.00 0.00 C ATOM 255 CE1 HIS A 16 0.986 -10.935 0.659 1.00 0.00 C ATOM 256 NE2 HIS A 16 0.568 -11.939 -0.087 1.00 0.00 N ATOM 0 H HIS A 16 4.383 -8.175 -1.485 1.00 0.00 H new ATOM 0 HA HIS A 16 4.290 -11.078 -2.057 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.321 -8.808 -2.427 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.202 -10.258 -3.404 1.00 0.00 H new ATOM 0 HD2 HIS A 16 0.931 -12.338 -2.221 1.00 0.00 H new ATOM 0 HE1 HIS A 16 0.758 -10.818 1.708 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -0.012 -12.725 0.207 1.00 0.00 H new ATOM 264 N ILE A 17 5.776 -9.034 -3.751 1.00 0.00 N ATOM 265 CA ILE A 17 6.466 -8.728 -4.999 1.00 0.00 C ATOM 266 C ILE A 17 7.980 -8.852 -4.840 1.00 0.00 C ATOM 267 O ILE A 17 8.475 -9.207 -3.771 1.00 0.00 O ATOM 268 CB ILE A 17 6.116 -7.314 -5.503 1.00 0.00 C ATOM 269 CG1 ILE A 17 6.517 -6.259 -4.468 1.00 0.00 C ATOM 270 CG2 ILE A 17 4.629 -7.224 -5.814 1.00 0.00 C ATOM 271 CD1 ILE A 17 6.290 -4.835 -4.932 1.00 0.00 C ATOM 0 H ILE A 17 6.188 -8.605 -2.923 1.00 0.00 H new ATOM 0 HA ILE A 17 6.127 -9.457 -5.735 1.00 0.00 H new ATOM 0 HB ILE A 17 6.675 -7.120 -6.418 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.951 -6.428 -3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.571 -6.388 -4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.392 -6.221 -6.169 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.374 -7.952 -6.584 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.055 -7.434 -4.911 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.597 -4.143 -4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.877 -4.647 -5.831 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.233 -4.688 -5.152 1.00 0.00 H new ATOM 283 N THR A 18 8.708 -8.556 -5.914 1.00 0.00 N ATOM 284 CA THR A 18 10.165 -8.643 -5.904 1.00 0.00 C ATOM 285 C THR A 18 10.793 -7.347 -5.397 1.00 0.00 C ATOM 286 O THR A 18 10.165 -6.289 -5.427 1.00 0.00 O ATOM 287 CB THR A 18 10.710 -8.952 -7.312 1.00 0.00 C ATOM 288 OG1 THR A 18 9.979 -10.041 -7.890 1.00 0.00 O ATOM 289 CG2 THR A 18 12.190 -9.307 -7.260 1.00 0.00 C ATOM 0 H THR A 18 8.311 -8.253 -6.804 1.00 0.00 H new ATOM 0 HA THR A 18 10.433 -9.456 -5.229 1.00 0.00 H new ATOM 0 HB THR A 18 10.588 -8.059 -7.925 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.150 -9.703 -8.288 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.549 -9.520 -8.267 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.751 -8.469 -6.845 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.332 -10.186 -6.631 1.00 0.00 H new ATOM 297 N GLU A 19 12.037 -7.440 -4.930 1.00 0.00 N ATOM 298 CA GLU A 19 12.753 -6.277 -4.416 1.00 0.00 C ATOM 299 C GLU A 19 12.852 -5.180 -5.475 1.00 0.00 C ATOM 300 O GLU A 19 12.670 -4.000 -5.177 1.00 0.00 O ATOM 301 CB GLU A 19 14.153 -6.681 -3.945 1.00 0.00 C ATOM 302 CG GLU A 19 14.981 -7.378 -5.012 1.00 0.00 C ATOM 303 CD GLU A 19 16.358 -7.773 -4.516 1.00 0.00 C ATOM 304 OE1 GLU A 19 17.292 -6.953 -4.637 1.00 0.00 O ATOM 305 OE2 GLU A 19 16.504 -8.904 -4.005 1.00 0.00 O ATOM 0 H GLU A 19 12.569 -8.310 -4.898 1.00 0.00 H new ATOM 0 HA GLU A 19 12.192 -5.883 -3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.685 -5.790 -3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.060 -7.340 -3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.452 -8.268 -5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.085 -6.719 -5.874 1.00 0.00 H new ATOM 312 N GLU A 20 13.141 -5.577 -6.710 1.00 0.00 N ATOM 313 CA GLU A 20 13.260 -4.626 -7.811 1.00 0.00 C ATOM 314 C GLU A 20 11.938 -3.904 -8.047 1.00 0.00 C ATOM 315 O GLU A 20 11.916 -2.764 -8.508 1.00 0.00 O ATOM 316 CB GLU A 20 13.704 -5.340 -9.090 1.00 0.00 C ATOM 317 CG GLU A 20 12.747 -6.428 -9.549 1.00 0.00 C ATOM 318 CD GLU A 20 13.177 -7.067 -10.854 1.00 0.00 C ATOM 319 OE1 GLU A 20 13.964 -8.036 -10.810 1.00 0.00 O ATOM 320 OE2 GLU A 20 12.730 -6.596 -11.921 1.00 0.00 O ATOM 0 H GLU A 20 13.297 -6.550 -6.974 1.00 0.00 H new ATOM 0 HA GLU A 20 14.015 -3.887 -7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.812 -4.604 -9.887 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.688 -5.780 -8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.678 -7.195 -8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.750 -6.004 -9.667 1.00 0.00 H new ATOM 327 N GLU A 21 10.839 -4.579 -7.734 1.00 0.00 N ATOM 328 CA GLU A 21 9.512 -4.003 -7.909 1.00 0.00 C ATOM 329 C GLU A 21 9.202 -3.005 -6.797 1.00 0.00 C ATOM 330 O GLU A 21 8.430 -2.066 -6.994 1.00 0.00 O ATOM 331 CB GLU A 21 8.455 -5.109 -7.937 1.00 0.00 C ATOM 332 CG GLU A 21 8.628 -6.081 -9.092 1.00 0.00 C ATOM 333 CD GLU A 21 7.581 -7.177 -9.096 1.00 0.00 C ATOM 334 OE1 GLU A 21 6.419 -6.887 -9.453 1.00 0.00 O ATOM 335 OE2 GLU A 21 7.921 -8.325 -8.740 1.00 0.00 O ATOM 0 H GLU A 21 10.841 -5.527 -7.357 1.00 0.00 H new ATOM 0 HA GLU A 21 9.493 -3.471 -8.860 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.493 -5.662 -6.998 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.466 -4.655 -7.999 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.578 -5.533 -10.033 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.619 -6.531 -9.037 1.00 0.00 H new ATOM 342 N LEU A 22 9.805 -3.217 -5.631 1.00 0.00 N ATOM 343 CA LEU A 22 9.593 -2.336 -4.486 1.00 0.00 C ATOM 344 C LEU A 22 9.975 -0.895 -4.816 1.00 0.00 C ATOM 345 O LEU A 22 9.206 0.033 -4.564 1.00 0.00 O ATOM 346 CB LEU A 22 10.407 -2.818 -3.281 1.00 0.00 C ATOM 347 CG LEU A 22 10.025 -4.196 -2.736 1.00 0.00 C ATOM 348 CD1 LEU A 22 10.983 -4.613 -1.631 1.00 0.00 C ATOM 349 CD2 LEU A 22 8.593 -4.191 -2.221 1.00 0.00 C ATOM 0 H LEU A 22 10.445 -3.991 -5.454 1.00 0.00 H new ATOM 0 HA LEU A 22 8.531 -2.366 -4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.460 -2.836 -3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.303 -2.088 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 22 10.095 -4.918 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.698 -5.595 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.998 -4.657 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.941 -3.886 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.341 -5.180 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.496 -3.456 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.915 -3.933 -3.034 1.00 0.00 H new ATOM 361 N LYS A 23 11.165 -0.714 -5.381 1.00 0.00 N ATOM 362 CA LYS A 23 11.649 0.617 -5.736 1.00 0.00 C ATOM 363 C LYS A 23 10.787 1.244 -6.828 1.00 0.00 C ATOM 364 O LYS A 23 10.638 2.465 -6.887 1.00 0.00 O ATOM 365 CB LYS A 23 13.109 0.551 -6.189 1.00 0.00 C ATOM 366 CG LYS A 23 13.354 -0.429 -7.324 1.00 0.00 C ATOM 367 CD LYS A 23 14.827 -0.498 -7.707 1.00 0.00 C ATOM 368 CE LYS A 23 15.624 -1.361 -6.739 1.00 0.00 C ATOM 369 NZ LYS A 23 15.791 -0.712 -5.409 1.00 0.00 N ATOM 0 H LYS A 23 11.812 -1.471 -5.603 1.00 0.00 H new ATOM 0 HA LYS A 23 11.582 1.245 -4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.427 1.545 -6.504 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.731 0.271 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.009 -1.420 -7.029 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.766 -0.132 -8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.922 -0.901 -8.715 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.245 0.508 -7.725 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.121 -2.320 -6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.605 -1.569 -7.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 16.717 -0.969 -5.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.736 0.321 -5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.037 -1.034 -4.769 1.00 0.00 H new ATOM 383 N ARG A 24 10.224 0.405 -7.690 1.00 0.00 N ATOM 384 CA ARG A 24 9.374 0.882 -8.776 1.00 0.00 C ATOM 385 C ARG A 24 8.105 1.532 -8.229 1.00 0.00 C ATOM 386 O ARG A 24 7.686 2.591 -8.699 1.00 0.00 O ATOM 387 CB ARG A 24 9.001 -0.270 -9.711 1.00 0.00 C ATOM 388 CG ARG A 24 10.178 -0.829 -10.494 1.00 0.00 C ATOM 389 CD ARG A 24 9.755 -2.001 -11.365 1.00 0.00 C ATOM 390 NE ARG A 24 10.849 -2.489 -12.200 1.00 0.00 N ATOM 391 CZ ARG A 24 10.739 -3.525 -13.027 1.00 0.00 C ATOM 392 NH1 ARG A 24 9.588 -4.176 -13.130 1.00 0.00 N ATOM 393 NH2 ARG A 24 11.779 -3.909 -13.756 1.00 0.00 N ATOM 0 H ARG A 24 10.340 -0.608 -7.659 1.00 0.00 H new ATOM 0 HA ARG A 24 9.936 1.629 -9.337 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.553 -1.072 -9.124 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.241 0.075 -10.412 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.607 -0.045 -11.118 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.958 -1.149 -9.803 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.394 -2.811 -10.731 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.922 -1.698 -12.000 1.00 0.00 H new ATOM 0 HE ARG A 24 11.747 -2.009 -12.146 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.785 -3.883 -12.574 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.506 -4.970 -13.765 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.665 -3.409 -13.683 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.692 -4.704 -14.389 1.00 0.00 H new ATOM 407 N PHE A 25 7.502 0.891 -7.233 1.00 0.00 N ATOM 408 CA PHE A 25 6.278 1.399 -6.620 1.00 0.00 C ATOM 409 C PHE A 25 6.545 2.695 -5.857 1.00 0.00 C ATOM 410 O PHE A 25 5.703 3.595 -5.830 1.00 0.00 O ATOM 411 CB PHE A 25 5.686 0.345 -5.681 1.00 0.00 C ATOM 412 CG PHE A 25 4.442 0.793 -4.966 1.00 0.00 C ATOM 413 CD1 PHE A 25 3.219 0.807 -5.617 1.00 0.00 C ATOM 414 CD2 PHE A 25 4.496 1.193 -3.641 1.00 0.00 C ATOM 415 CE1 PHE A 25 2.072 1.213 -4.960 1.00 0.00 C ATOM 416 CE2 PHE A 25 3.353 1.600 -2.978 1.00 0.00 C ATOM 417 CZ PHE A 25 2.139 1.610 -3.638 1.00 0.00 C ATOM 0 H PHE A 25 7.841 0.017 -6.832 1.00 0.00 H new ATOM 0 HA PHE A 25 5.562 1.614 -7.413 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.459 -0.553 -6.256 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.438 0.068 -4.942 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.161 0.497 -6.650 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.442 1.187 -3.120 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.125 1.220 -5.479 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.409 1.910 -1.945 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.245 1.927 -3.122 1.00 0.00 H new ATOM 427 N LYS A 26 7.719 2.783 -5.241 1.00 0.00 N ATOM 428 CA LYS A 26 8.098 3.969 -4.479 1.00 0.00 C ATOM 429 C LYS A 26 8.343 5.158 -5.401 1.00 0.00 C ATOM 430 O LYS A 26 7.965 6.287 -5.091 1.00 0.00 O ATOM 431 CB LYS A 26 9.361 3.695 -3.660 1.00 0.00 C ATOM 432 CG LYS A 26 9.213 2.579 -2.639 1.00 0.00 C ATOM 433 CD LYS A 26 8.227 2.940 -1.543 1.00 0.00 C ATOM 434 CE LYS A 26 8.302 1.954 -0.389 1.00 0.00 C ATOM 435 NZ LYS A 26 7.943 0.573 -0.815 1.00 0.00 N ATOM 0 H LYS A 26 8.425 2.047 -5.254 1.00 0.00 H new ATOM 0 HA LYS A 26 7.273 4.209 -3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.174 3.444 -4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.650 4.610 -3.142 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.881 1.670 -3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.185 2.362 -2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.436 3.946 -1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.216 2.952 -1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.310 1.956 0.025 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.630 2.275 0.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.741 -0.008 0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.101 0.606 -1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.736 0.155 -1.343 1.00 0.00 H new ATOM 449 N TYR A 27 8.980 4.893 -6.534 1.00 0.00 N ATOM 450 CA TYR A 27 9.300 5.938 -7.501 1.00 0.00 C ATOM 451 C TYR A 27 8.044 6.503 -8.157 1.00 0.00 C ATOM 452 O TYR A 27 8.009 7.672 -8.543 1.00 0.00 O ATOM 453 CB TYR A 27 10.237 5.382 -8.575 1.00 0.00 C ATOM 454 CG TYR A 27 10.754 6.426 -9.541 1.00 0.00 C ATOM 455 CD1 TYR A 27 11.899 7.158 -9.254 1.00 0.00 C ATOM 456 CD2 TYR A 27 10.099 6.675 -10.740 1.00 0.00 C ATOM 457 CE1 TYR A 27 12.377 8.111 -10.135 1.00 0.00 C ATOM 458 CE2 TYR A 27 10.571 7.625 -11.627 1.00 0.00 C ATOM 459 CZ TYR A 27 11.709 8.339 -11.320 1.00 0.00 C ATOM 460 OH TYR A 27 12.183 9.287 -12.200 1.00 0.00 O ATOM 0 H TYR A 27 9.287 3.960 -6.808 1.00 0.00 H new ATOM 0 HA TYR A 27 9.792 6.749 -6.964 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.085 4.900 -8.089 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.711 4.610 -9.137 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.425 6.980 -8.328 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.207 6.118 -10.984 1.00 0.00 H new ATOM 0 HE1 TYR A 27 13.268 8.673 -9.897 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.050 7.807 -12.556 1.00 0.00 H new ATOM 0 HH TYR A 27 11.599 9.324 -12.986 1.00 0.00 H new ATOM 470 N PHE A 28 7.012 5.675 -8.281 1.00 0.00 N ATOM 471 CA PHE A 28 5.769 6.102 -8.909 1.00 0.00 C ATOM 472 C PHE A 28 4.910 6.924 -7.951 1.00 0.00 C ATOM 473 O PHE A 28 4.535 8.055 -8.257 1.00 0.00 O ATOM 474 CB PHE A 28 4.983 4.889 -9.406 1.00 0.00 C ATOM 475 CG PHE A 28 4.057 5.205 -10.544 1.00 0.00 C ATOM 476 CD1 PHE A 28 2.762 5.635 -10.305 1.00 0.00 C ATOM 477 CD2 PHE A 28 4.485 5.073 -11.855 1.00 0.00 C ATOM 478 CE1 PHE A 28 1.911 5.929 -11.352 1.00 0.00 C ATOM 479 CE2 PHE A 28 3.639 5.366 -12.908 1.00 0.00 C ATOM 480 CZ PHE A 28 2.349 5.793 -12.655 1.00 0.00 C ATOM 0 H PHE A 28 7.012 4.708 -7.956 1.00 0.00 H new ATOM 0 HA PHE A 28 6.027 6.736 -9.757 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.683 4.116 -9.721 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.404 4.477 -8.580 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.414 5.742 -9.288 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.491 4.737 -12.057 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.904 6.265 -11.152 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.985 5.262 -13.926 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.684 6.020 -13.475 1.00 0.00 H new ATOM 490 N ALA A 29 4.602 6.353 -6.790 1.00 0.00 N ATOM 491 CA ALA A 29 3.784 7.040 -5.796 1.00 0.00 C ATOM 492 C ALA A 29 4.551 8.181 -5.140 1.00 0.00 C ATOM 493 O ALA A 29 4.072 9.314 -5.082 1.00 0.00 O ATOM 494 CB ALA A 29 3.298 6.058 -4.740 1.00 0.00 C ATOM 0 H ALA A 29 4.906 5.419 -6.515 1.00 0.00 H new ATOM 0 HA ALA A 29 2.922 7.465 -6.309 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.689 6.585 -4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.701 5.279 -5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.155 5.605 -4.242 1.00 0.00 H new ATOM 500 N LEU A 30 5.748 7.875 -4.649 1.00 0.00 N ATOM 501 CA LEU A 30 6.581 8.872 -3.990 1.00 0.00 C ATOM 502 C LEU A 30 7.606 9.457 -4.958 1.00 0.00 C ATOM 503 O LEU A 30 8.711 8.933 -5.099 1.00 0.00 O ATOM 504 CB LEU A 30 7.293 8.238 -2.796 1.00 0.00 C ATOM 505 CG LEU A 30 6.395 7.407 -1.879 1.00 0.00 C ATOM 506 CD1 LEU A 30 7.214 6.374 -1.124 1.00 0.00 C ATOM 507 CD2 LEU A 30 5.647 8.309 -0.909 1.00 0.00 C ATOM 0 H LEU A 30 6.162 6.944 -4.696 1.00 0.00 H new ATOM 0 HA LEU A 30 5.940 9.683 -3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.097 7.602 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.758 9.029 -2.207 1.00 0.00 H new ATOM 0 HG LEU A 30 5.665 6.882 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.558 5.792 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.705 5.709 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.967 6.878 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.012 7.702 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.363 8.861 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.029 9.012 -1.468 1.00 0.00 H new ATOM 519 N THR A 31 7.228 10.540 -5.629 1.00 0.00 N ATOM 520 CA THR A 31 8.115 11.198 -6.582 1.00 0.00 C ATOM 521 C THR A 31 8.926 12.307 -5.919 1.00 0.00 C ATOM 522 O THR A 31 10.146 12.373 -6.068 1.00 0.00 O ATOM 523 CB THR A 31 7.327 11.795 -7.761 1.00 0.00 C ATOM 524 OG1 THR A 31 6.420 12.798 -7.287 1.00 0.00 O ATOM 525 CG2 THR A 31 6.552 10.712 -8.493 1.00 0.00 C ATOM 0 H THR A 31 6.313 10.981 -5.531 1.00 0.00 H new ATOM 0 HA THR A 31 8.795 10.431 -6.953 1.00 0.00 H new ATOM 0 HB THR A 31 8.037 12.246 -8.454 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.924 13.174 -8.044 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.002 11.156 -9.323 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.246 9.964 -8.876 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.851 10.238 -7.806 1.00 0.00 H new ATOM 533 N GLU A 32 8.236 13.176 -5.187 1.00 0.00 N ATOM 534 CA GLU A 32 8.882 14.294 -4.508 1.00 0.00 C ATOM 535 C GLU A 32 9.209 13.950 -3.057 1.00 0.00 C ATOM 536 O GLU A 32 9.943 14.680 -2.388 1.00 0.00 O ATOM 537 CB GLU A 32 7.979 15.530 -4.561 1.00 0.00 C ATOM 538 CG GLU A 32 8.625 16.786 -3.997 1.00 0.00 C ATOM 539 CD GLU A 32 7.706 17.990 -4.056 1.00 0.00 C ATOM 540 OE1 GLU A 32 6.902 18.171 -3.117 1.00 0.00 O ATOM 541 OE2 GLU A 32 7.790 18.754 -5.041 1.00 0.00 O ATOM 0 H GLU A 32 7.227 13.127 -5.049 1.00 0.00 H new ATOM 0 HA GLU A 32 9.819 14.505 -5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.691 15.714 -5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.063 15.324 -4.007 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.917 16.607 -2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.537 17.002 -4.553 1.00 0.00 H new ATOM 548 N PHE A 33 8.672 12.837 -2.574 1.00 0.00 N ATOM 549 CA PHE A 33 8.909 12.418 -1.197 1.00 0.00 C ATOM 550 C PHE A 33 10.287 11.780 -1.043 1.00 0.00 C ATOM 551 O PHE A 33 10.853 11.772 0.050 1.00 0.00 O ATOM 552 CB PHE A 33 7.824 11.440 -0.743 1.00 0.00 C ATOM 553 CG PHE A 33 6.451 12.050 -0.695 1.00 0.00 C ATOM 554 CD1 PHE A 33 6.105 12.926 0.321 1.00 0.00 C ATOM 555 CD2 PHE A 33 5.509 11.749 -1.665 1.00 0.00 C ATOM 556 CE1 PHE A 33 4.845 13.491 0.368 1.00 0.00 C ATOM 557 CE2 PHE A 33 4.247 12.310 -1.623 1.00 0.00 C ATOM 558 CZ PHE A 33 3.915 13.182 -0.605 1.00 0.00 C ATOM 0 H PHE A 33 8.072 12.211 -3.111 1.00 0.00 H new ATOM 0 HA PHE A 33 8.873 13.307 -0.567 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.810 10.585 -1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 33 8.079 11.060 0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.828 13.170 1.085 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.764 11.068 -2.463 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.588 14.173 1.165 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.521 12.067 -2.385 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.929 13.622 -0.570 1.00 0.00 H new ATOM 568 N GLN A 34 10.825 11.258 -2.146 1.00 0.00 N ATOM 569 CA GLN A 34 12.142 10.623 -2.140 1.00 0.00 C ATOM 570 C GLN A 34 12.318 9.741 -0.905 1.00 0.00 C ATOM 571 O GLN A 34 13.114 10.046 -0.017 1.00 0.00 O ATOM 572 CB GLN A 34 13.244 11.684 -2.193 1.00 0.00 C ATOM 573 CG GLN A 34 14.643 11.106 -2.341 1.00 0.00 C ATOM 574 CD GLN A 34 14.810 10.284 -3.606 1.00 0.00 C ATOM 575 OE1 GLN A 34 15.582 9.326 -3.639 1.00 0.00 O ATOM 576 NE2 GLN A 34 14.088 10.657 -4.658 1.00 0.00 N ATOM 0 H GLN A 34 10.367 11.263 -3.057 1.00 0.00 H new ATOM 0 HA GLN A 34 12.217 9.991 -3.025 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.048 12.357 -3.028 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.203 12.284 -1.284 1.00 0.00 H new ATOM 0 HG2 GLN A 34 15.369 11.919 -2.343 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.867 10.482 -1.476 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.460 11.458 -4.587 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.162 10.143 -5.536 1.00 0.00 H new ATOM 585 N ILE A 35 11.559 8.653 -0.852 1.00 0.00 N ATOM 586 CA ILE A 35 11.623 7.734 0.275 1.00 0.00 C ATOM 587 C ILE A 35 12.912 6.913 0.242 1.00 0.00 C ATOM 588 O ILE A 35 13.440 6.611 -0.830 1.00 0.00 O ATOM 589 CB ILE A 35 10.397 6.795 0.294 1.00 0.00 C ATOM 590 CG1 ILE A 35 10.166 6.238 1.701 1.00 0.00 C ATOM 591 CG2 ILE A 35 10.568 5.663 -0.711 1.00 0.00 C ATOM 592 CD1 ILE A 35 8.762 5.709 1.919 1.00 0.00 C ATOM 0 H ILE A 35 10.893 8.387 -1.577 1.00 0.00 H new ATOM 0 HA ILE A 35 11.617 8.332 1.187 1.00 0.00 H new ATOM 0 HB ILE A 35 9.520 7.375 0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.881 5.437 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.368 7.022 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.693 5.014 -0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.677 6.079 -1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.457 5.085 -0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.670 5.330 2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.042 6.513 1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.563 4.903 1.213 1.00 0.00 H new ATOM 604 N ALA A 36 13.417 6.560 1.421 1.00 0.00 N ATOM 605 CA ALA A 36 14.648 5.784 1.531 1.00 0.00 C ATOM 606 C ALA A 36 14.505 4.416 0.871 1.00 0.00 C ATOM 607 O ALA A 36 13.616 3.639 1.215 1.00 0.00 O ATOM 608 CB ALA A 36 15.039 5.624 2.992 1.00 0.00 C ATOM 0 H ALA A 36 12.991 6.800 2.316 1.00 0.00 H new ATOM 0 HA ALA A 36 15.435 6.328 1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.959 5.043 3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 36 15.196 6.607 3.436 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.243 5.107 3.527 1.00 0.00 H new ATOM 614 N ARG A 37 15.389 4.130 -0.082 1.00 0.00 N ATOM 615 CA ARG A 37 15.366 2.856 -0.793 1.00 0.00 C ATOM 616 C ARG A 37 15.716 1.694 0.135 1.00 0.00 C ATOM 617 O ARG A 37 15.285 0.563 -0.084 1.00 0.00 O ATOM 618 CB ARG A 37 16.343 2.887 -1.970 1.00 0.00 C ATOM 619 CG ARG A 37 17.778 3.170 -1.560 1.00 0.00 C ATOM 620 CD ARG A 37 18.729 3.050 -2.740 1.00 0.00 C ATOM 621 NE ARG A 37 20.102 3.376 -2.368 1.00 0.00 N ATOM 622 CZ ARG A 37 21.143 3.234 -3.184 1.00 0.00 C ATOM 623 NH1 ARG A 37 20.969 2.778 -4.417 1.00 0.00 N ATOM 624 NH2 ARG A 37 22.361 3.551 -2.767 1.00 0.00 N ATOM 0 H ARG A 37 16.130 4.764 -0.379 1.00 0.00 H new ATOM 0 HA ARG A 37 14.353 2.704 -1.166 1.00 0.00 H new ATOM 0 HB2 ARG A 37 16.304 1.929 -2.489 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.020 3.648 -2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 37 17.846 4.172 -1.137 1.00 0.00 H new ATOM 0 HG3 ARG A 37 18.078 2.473 -0.777 1.00 0.00 H new ATOM 0 HD2 ARG A 37 18.691 2.035 -3.135 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.402 3.715 -3.539 1.00 0.00 H new ATOM 0 HE ARG A 37 20.273 3.733 -1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.034 2.534 -4.743 1.00 0.00 H new ATOM 0 HH12 ARG A 37 21.770 2.671 -5.039 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.500 3.904 -1.820 1.00 0.00 H new ATOM 0 HH22 ARG A 37 23.159 3.442 -3.393 1.00 0.00 H new ATOM 638 N SER A 38 16.499 1.982 1.170 1.00 0.00 N ATOM 639 CA SER A 38 16.918 0.957 2.122 1.00 0.00 C ATOM 640 C SER A 38 15.769 0.531 3.035 1.00 0.00 C ATOM 641 O SER A 38 15.606 -0.653 3.330 1.00 0.00 O ATOM 642 CB SER A 38 18.088 1.466 2.967 1.00 0.00 C ATOM 643 OG SER A 38 17.728 2.637 3.682 1.00 0.00 O ATOM 0 H SER A 38 16.856 2.916 1.371 1.00 0.00 H new ATOM 0 HA SER A 38 17.234 0.086 1.548 1.00 0.00 H new ATOM 0 HB2 SER A 38 18.400 0.690 3.666 1.00 0.00 H new ATOM 0 HB3 SER A 38 18.942 1.677 2.323 1.00 0.00 H new ATOM 0 HG SER A 38 18.491 2.942 4.216 1.00 0.00 H new ATOM 649 N THR A 39 14.975 1.503 3.478 1.00 0.00 N ATOM 650 CA THR A 39 13.846 1.232 4.366 1.00 0.00 C ATOM 651 C THR A 39 12.847 0.261 3.738 1.00 0.00 C ATOM 652 O THR A 39 12.020 -0.322 4.438 1.00 0.00 O ATOM 653 CB THR A 39 13.108 2.526 4.753 1.00 0.00 C ATOM 654 OG1 THR A 39 12.652 3.203 3.576 1.00 0.00 O ATOM 655 CG2 THR A 39 14.017 3.446 5.556 1.00 0.00 C ATOM 0 H THR A 39 15.092 2.487 3.236 1.00 0.00 H new ATOM 0 HA THR A 39 14.267 0.776 5.262 1.00 0.00 H new ATOM 0 HB THR A 39 12.250 2.259 5.370 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.342 3.152 2.882 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.475 4.354 5.819 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.337 2.938 6.466 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.891 3.705 4.959 1.00 0.00 H new ATOM 663 N LEU A 40 12.927 0.099 2.419 1.00 0.00 N ATOM 664 CA LEU A 40 12.027 -0.799 1.691 1.00 0.00 C ATOM 665 C LEU A 40 11.936 -2.173 2.354 1.00 0.00 C ATOM 666 O LEU A 40 10.972 -2.908 2.138 1.00 0.00 O ATOM 667 CB LEU A 40 12.491 -0.951 0.239 1.00 0.00 C ATOM 668 CG LEU A 40 11.905 0.066 -0.745 1.00 0.00 C ATOM 669 CD1 LEU A 40 12.135 1.487 -0.256 1.00 0.00 C ATOM 670 CD2 LEU A 40 12.509 -0.124 -2.128 1.00 0.00 C ATOM 0 H LEU A 40 13.607 0.578 1.829 1.00 0.00 H new ATOM 0 HA LEU A 40 11.033 -0.352 1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.578 -0.873 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 40 12.235 -1.953 -0.104 1.00 0.00 H new ATOM 0 HG LEU A 40 10.830 -0.102 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.710 2.191 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.655 1.620 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.205 1.670 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.082 0.606 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.589 0.015 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.290 -1.130 -2.486 1.00 0.00 H new ATOM 682 N ASP A 41 12.937 -2.513 3.160 1.00 0.00 N ATOM 683 CA ASP A 41 12.960 -3.800 3.851 1.00 0.00 C ATOM 684 C ASP A 41 11.711 -3.979 4.712 1.00 0.00 C ATOM 685 O ASP A 41 10.932 -4.910 4.507 1.00 0.00 O ATOM 686 CB ASP A 41 14.215 -3.911 4.721 1.00 0.00 C ATOM 687 CG ASP A 41 14.350 -5.272 5.374 1.00 0.00 C ATOM 688 OD1 ASP A 41 13.769 -5.469 6.463 1.00 0.00 O ATOM 689 OD2 ASP A 41 15.036 -6.142 4.798 1.00 0.00 O ATOM 0 H ASP A 41 13.742 -1.917 3.351 1.00 0.00 H new ATOM 0 HA ASP A 41 12.976 -4.589 3.099 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.096 -3.716 4.109 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.187 -3.142 5.493 1.00 0.00 H new ATOM 694 N VAL A 42 11.527 -3.079 5.674 1.00 0.00 N ATOM 695 CA VAL A 42 10.374 -3.130 6.567 1.00 0.00 C ATOM 696 C VAL A 42 9.368 -2.039 6.232 1.00 0.00 C ATOM 697 O VAL A 42 8.426 -1.797 6.986 1.00 0.00 O ATOM 698 CB VAL A 42 10.792 -2.960 8.038 1.00 0.00 C ATOM 699 CG1 VAL A 42 11.565 -4.175 8.525 1.00 0.00 C ATOM 700 CG2 VAL A 42 11.612 -1.691 8.209 1.00 0.00 C ATOM 0 H VAL A 42 12.164 -2.303 5.855 1.00 0.00 H new ATOM 0 HA VAL A 42 9.919 -4.110 6.426 1.00 0.00 H new ATOM 0 HB VAL A 42 9.891 -2.873 8.645 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.850 -4.031 9.567 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.939 -5.063 8.439 1.00 0.00 H new ATOM 0 HG13 VAL A 42 12.462 -4.303 7.918 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.901 -1.583 9.254 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.507 -1.750 7.589 1.00 0.00 H new ATOM 0 HG23 VAL A 42 11.017 -0.830 7.906 1.00 0.00 H new ATOM 710 N ALA A 43 9.571 -1.385 5.096 1.00 0.00 N ATOM 711 CA ALA A 43 8.690 -0.306 4.676 1.00 0.00 C ATOM 712 C ALA A 43 7.246 -0.749 4.569 1.00 0.00 C ATOM 713 O ALA A 43 6.334 0.039 4.781 1.00 0.00 O ATOM 714 CB ALA A 43 9.144 0.289 3.355 1.00 0.00 C ATOM 0 H ALA A 43 10.336 -1.583 4.451 1.00 0.00 H new ATOM 0 HA ALA A 43 8.748 0.458 5.451 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.467 1.093 3.066 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.153 0.686 3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.138 -0.484 2.587 1.00 0.00 H new ATOM 720 N ASP A 44 7.031 -2.010 4.270 1.00 0.00 N ATOM 721 CA ASP A 44 5.674 -2.497 4.098 1.00 0.00 C ATOM 722 C ASP A 44 4.815 -2.252 5.337 1.00 0.00 C ATOM 723 O ASP A 44 3.740 -1.661 5.236 1.00 0.00 O ATOM 724 CB ASP A 44 5.693 -3.992 3.771 1.00 0.00 C ATOM 725 CG ASP A 44 6.431 -4.806 4.816 1.00 0.00 C ATOM 726 OD1 ASP A 44 7.669 -4.936 4.702 1.00 0.00 O ATOM 727 OD2 ASP A 44 5.773 -5.315 5.748 1.00 0.00 O ATOM 0 H ASP A 44 7.762 -2.710 4.142 1.00 0.00 H new ATOM 0 HA ASP A 44 5.230 -1.942 3.272 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.669 -4.356 3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.164 -4.142 2.799 1.00 0.00 H new ATOM 732 N ARG A 45 5.274 -2.700 6.501 1.00 0.00 N ATOM 733 CA ARG A 45 4.494 -2.516 7.722 1.00 0.00 C ATOM 734 C ARG A 45 4.622 -1.126 8.372 1.00 0.00 C ATOM 735 O ARG A 45 3.640 -0.395 8.490 1.00 0.00 O ATOM 736 CB ARG A 45 4.846 -3.606 8.742 1.00 0.00 C ATOM 737 CG ARG A 45 6.338 -3.802 8.962 1.00 0.00 C ATOM 738 CD ARG A 45 6.616 -5.015 9.834 1.00 0.00 C ATOM 739 NE ARG A 45 6.063 -4.864 11.178 1.00 0.00 N ATOM 740 CZ ARG A 45 6.205 -5.770 12.140 1.00 0.00 C ATOM 741 NH1 ARG A 45 6.878 -6.890 11.906 1.00 0.00 N ATOM 742 NH2 ARG A 45 5.675 -5.559 13.337 1.00 0.00 N ATOM 0 H ARG A 45 6.163 -3.184 6.626 1.00 0.00 H new ATOM 0 HA ARG A 45 3.452 -2.597 7.413 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.380 -3.358 9.696 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.413 -4.550 8.411 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.836 -3.922 8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.758 -2.912 9.430 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.191 -5.903 9.365 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.692 -5.174 9.901 1.00 0.00 H new ATOM 0 HE ARG A 45 5.538 -4.015 11.390 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.287 -7.056 10.987 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.986 -7.584 12.646 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.157 -4.700 13.521 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.785 -6.256 14.074 1.00 0.00 H new ATOM 756 N THR A 46 5.842 -0.774 8.788 1.00 0.00 N ATOM 757 CA THR A 46 6.096 0.481 9.507 1.00 0.00 C ATOM 758 C THR A 46 6.284 1.752 8.664 1.00 0.00 C ATOM 759 O THR A 46 5.560 2.732 8.844 1.00 0.00 O ATOM 760 CB THR A 46 7.325 0.331 10.419 1.00 0.00 C ATOM 761 OG1 THR A 46 8.464 -0.063 9.646 1.00 0.00 O ATOM 762 CG2 THR A 46 7.066 -0.698 11.509 1.00 0.00 C ATOM 0 H THR A 46 6.675 -1.344 8.639 1.00 0.00 H new ATOM 0 HA THR A 46 5.169 0.636 10.058 1.00 0.00 H new ATOM 0 HB THR A 46 7.521 1.295 10.889 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.243 -0.155 10.234 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.949 -0.788 12.142 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.216 -0.381 12.114 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.847 -1.664 11.053 1.00 0.00 H new ATOM 770 N GLU A 47 7.252 1.732 7.749 1.00 0.00 N ATOM 771 CA GLU A 47 7.604 2.929 6.974 1.00 0.00 C ATOM 772 C GLU A 47 6.514 3.431 6.025 1.00 0.00 C ATOM 773 O GLU A 47 6.055 4.562 6.163 1.00 0.00 O ATOM 774 CB GLU A 47 8.885 2.663 6.187 1.00 0.00 C ATOM 775 CG GLU A 47 9.957 3.721 6.390 1.00 0.00 C ATOM 776 CD GLU A 47 10.380 3.852 7.839 1.00 0.00 C ATOM 777 OE1 GLU A 47 11.215 3.039 8.290 1.00 0.00 O ATOM 778 OE2 GLU A 47 9.878 4.768 8.524 1.00 0.00 O ATOM 0 H GLU A 47 7.806 0.906 7.524 1.00 0.00 H new ATOM 0 HA GLU A 47 7.740 3.725 7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.285 1.692 6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.643 2.602 5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.827 3.472 5.782 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.585 4.682 6.036 1.00 0.00 H new ATOM 785 N LEU A 48 6.104 2.610 5.072 1.00 0.00 N ATOM 786 CA LEU A 48 5.086 3.022 4.105 1.00 0.00 C ATOM 787 C LEU A 48 3.814 3.493 4.790 1.00 0.00 C ATOM 788 O LEU A 48 3.312 4.575 4.500 1.00 0.00 O ATOM 789 CB LEU A 48 4.750 1.885 3.137 1.00 0.00 C ATOM 790 CG LEU A 48 5.565 1.869 1.842 1.00 0.00 C ATOM 791 CD1 LEU A 48 5.255 0.617 1.039 1.00 0.00 C ATOM 792 CD2 LEU A 48 5.278 3.117 1.018 1.00 0.00 C ATOM 0 H LEU A 48 6.454 1.661 4.943 1.00 0.00 H new ATOM 0 HA LEU A 48 5.508 3.857 3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.897 0.936 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.692 1.948 2.881 1.00 0.00 H new ATOM 0 HG LEU A 48 6.625 1.862 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.842 0.619 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.507 -0.265 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.194 0.597 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.866 3.090 0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.217 3.153 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.545 4.003 1.594 1.00 0.00 H new ATOM 804 N ALA A 49 3.316 2.693 5.716 1.00 0.00 N ATOM 805 CA ALA A 49 2.078 3.022 6.418 1.00 0.00 C ATOM 806 C ALA A 49 2.112 4.430 7.010 1.00 0.00 C ATOM 807 O ALA A 49 1.239 5.249 6.730 1.00 0.00 O ATOM 808 CB ALA A 49 1.810 1.999 7.510 1.00 0.00 C ATOM 0 H ALA A 49 3.745 1.813 6.002 1.00 0.00 H new ATOM 0 HA ALA A 49 1.269 2.995 5.688 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.885 2.253 8.027 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.717 1.008 7.065 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.636 2.001 8.221 1.00 0.00 H new ATOM 814 N ASP A 50 3.118 4.708 7.824 1.00 0.00 N ATOM 815 CA ASP A 50 3.249 6.015 8.464 1.00 0.00 C ATOM 816 C ASP A 50 3.595 7.129 7.471 1.00 0.00 C ATOM 817 O ASP A 50 3.126 8.258 7.608 1.00 0.00 O ATOM 818 CB ASP A 50 4.312 5.954 9.562 1.00 0.00 C ATOM 819 CG ASP A 50 4.426 7.257 10.330 1.00 0.00 C ATOM 820 OD1 ASP A 50 5.195 8.139 9.890 1.00 0.00 O ATOM 821 OD2 ASP A 50 3.747 7.395 11.368 1.00 0.00 O ATOM 0 H ASP A 50 3.859 4.048 8.060 1.00 0.00 H new ATOM 0 HA ASP A 50 2.277 6.257 8.895 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.070 5.148 10.254 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.277 5.712 9.117 1.00 0.00 H new ATOM 826 N HIS A 51 4.416 6.806 6.476 1.00 0.00 N ATOM 827 CA HIS A 51 4.871 7.795 5.495 1.00 0.00 C ATOM 828 C HIS A 51 3.815 8.196 4.459 1.00 0.00 C ATOM 829 O HIS A 51 3.462 9.371 4.356 1.00 0.00 O ATOM 830 CB HIS A 51 6.110 7.268 4.769 1.00 0.00 C ATOM 831 CG HIS A 51 7.389 7.514 5.506 1.00 0.00 C ATOM 832 ND1 HIS A 51 8.353 8.406 5.091 1.00 0.00 N ATOM 833 CD2 HIS A 51 7.861 6.959 6.651 1.00 0.00 C ATOM 834 CE1 HIS A 51 9.359 8.365 5.975 1.00 0.00 C ATOM 835 NE2 HIS A 51 9.109 7.504 6.943 1.00 0.00 N ATOM 0 H HIS A 51 4.782 5.866 6.325 1.00 0.00 H new ATOM 0 HA HIS A 51 5.096 8.695 6.067 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.996 6.196 4.605 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.171 7.736 3.787 1.00 0.00 H new ATOM 0 HD2 HIS A 51 7.350 6.213 7.242 1.00 0.00 H new ATOM 0 HE1 HIS A 51 10.258 8.960 5.904 1.00 0.00 H new ATOM 0 HE2 HIS A 51 9.706 7.283 7.740 1.00 0.00 H new ATOM 843 N LEU A 52 3.314 7.229 3.695 1.00 0.00 N ATOM 844 CA LEU A 52 2.348 7.521 2.633 1.00 0.00 C ATOM 845 C LEU A 52 1.035 8.106 3.157 1.00 0.00 C ATOM 846 O LEU A 52 0.442 8.967 2.506 1.00 0.00 O ATOM 847 CB LEU A 52 2.082 6.273 1.783 1.00 0.00 C ATOM 848 CG LEU A 52 1.321 5.142 2.473 1.00 0.00 C ATOM 849 CD1 LEU A 52 -0.165 5.232 2.170 1.00 0.00 C ATOM 850 CD2 LEU A 52 1.874 3.797 2.031 1.00 0.00 C ATOM 0 H LEU A 52 3.557 6.243 3.788 1.00 0.00 H new ATOM 0 HA LEU A 52 2.802 8.290 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.522 6.574 0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.039 5.882 1.438 1.00 0.00 H new ATOM 0 HG LEU A 52 1.454 5.240 3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.688 4.418 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.552 6.186 2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.322 5.157 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.325 2.997 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.765 3.696 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.929 3.733 2.296 1.00 0.00 H new ATOM 862 N ILE A 53 0.572 7.648 4.317 1.00 0.00 N ATOM 863 CA ILE A 53 -0.679 8.159 4.879 1.00 0.00 C ATOM 864 C ILE A 53 -0.592 9.659 5.155 1.00 0.00 C ATOM 865 O ILE A 53 -1.550 10.397 4.927 1.00 0.00 O ATOM 866 CB ILE A 53 -1.078 7.420 6.182 1.00 0.00 C ATOM 867 CG1 ILE A 53 -1.515 5.977 5.891 1.00 0.00 C ATOM 868 CG2 ILE A 53 -2.186 8.168 6.914 1.00 0.00 C ATOM 869 CD1 ILE A 53 -2.442 5.830 4.701 1.00 0.00 C ATOM 0 H ILE A 53 1.035 6.935 4.881 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.449 7.975 4.129 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.198 7.388 6.824 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.627 5.369 5.721 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.012 5.576 6.774 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.448 7.630 7.825 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.841 9.169 7.171 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.063 8.241 6.270 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.700 4.779 4.568 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.350 6.408 4.874 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.944 6.197 3.804 1.00 0.00 H new ATOM 881 N GLN A 54 0.560 10.105 5.642 1.00 0.00 N ATOM 882 CA GLN A 54 0.767 11.517 5.951 1.00 0.00 C ATOM 883 C GLN A 54 0.604 12.394 4.711 1.00 0.00 C ATOM 884 O GLN A 54 0.254 13.570 4.816 1.00 0.00 O ATOM 885 CB GLN A 54 2.158 11.727 6.556 1.00 0.00 C ATOM 886 CG GLN A 54 2.299 11.164 7.960 1.00 0.00 C ATOM 887 CD GLN A 54 3.718 11.266 8.487 1.00 0.00 C ATOM 888 OE1 GLN A 54 4.681 11.228 7.722 1.00 0.00 O ATOM 889 NE2 GLN A 54 3.853 11.395 9.802 1.00 0.00 N ATOM 0 H GLN A 54 1.366 9.510 5.832 1.00 0.00 H new ATOM 0 HA GLN A 54 0.007 11.812 6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.901 11.260 5.909 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.379 12.794 6.577 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.626 11.698 8.631 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.988 10.119 7.962 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.027 11.422 10.399 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.783 11.467 10.215 1.00 0.00 H new ATOM 898 N SER A 55 0.861 11.818 3.541 1.00 0.00 N ATOM 899 CA SER A 55 0.762 12.558 2.284 1.00 0.00 C ATOM 900 C SER A 55 -0.623 13.176 2.089 1.00 0.00 C ATOM 901 O SER A 55 -0.747 14.393 1.940 1.00 0.00 O ATOM 902 CB SER A 55 1.085 11.640 1.105 1.00 0.00 C ATOM 903 OG SER A 55 2.381 11.082 1.229 1.00 0.00 O ATOM 0 H SER A 55 1.139 10.842 3.435 1.00 0.00 H new ATOM 0 HA SER A 55 1.487 13.371 2.329 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.346 10.841 1.050 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.016 12.202 0.174 1.00 0.00 H new ATOM 0 HG SER A 55 3.018 11.615 0.709 1.00 0.00 H new ATOM 909 N ALA A 56 -1.660 12.342 2.086 1.00 0.00 N ATOM 910 CA ALA A 56 -3.023 12.832 1.894 1.00 0.00 C ATOM 911 C ALA A 56 -3.945 12.420 3.038 1.00 0.00 C ATOM 912 O ALA A 56 -4.834 13.176 3.432 1.00 0.00 O ATOM 913 CB ALA A 56 -3.576 12.333 0.569 1.00 0.00 C ATOM 0 H ALA A 56 -1.585 11.333 2.213 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.982 13.921 1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.592 12.704 0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.949 12.694 -0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.584 11.243 0.566 1.00 0.00 H new ATOM 919 N GLY A 57 -3.728 11.223 3.571 1.00 0.00 N ATOM 920 CA GLY A 57 -4.554 10.736 4.662 1.00 0.00 C ATOM 921 C GLY A 57 -4.642 9.224 4.690 1.00 0.00 C ATOM 922 O GLY A 57 -4.074 8.548 3.834 1.00 0.00 O ATOM 0 H GLY A 57 -2.996 10.581 3.268 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.147 11.091 5.609 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.556 11.154 4.570 1.00 0.00 H new ATOM 926 N ALA A 58 -5.351 8.690 5.679 1.00 0.00 N ATOM 927 CA ALA A 58 -5.505 7.249 5.817 1.00 0.00 C ATOM 928 C ALA A 58 -6.327 6.656 4.676 1.00 0.00 C ATOM 929 O ALA A 58 -5.796 5.942 3.827 1.00 0.00 O ATOM 930 CB ALA A 58 -6.141 6.914 7.156 1.00 0.00 C ATOM 0 H ALA A 58 -5.828 9.235 6.397 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.511 6.804 5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.251 5.833 7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.507 7.283 7.962 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.122 7.385 7.221 1.00 0.00 H new ATOM 936 N ALA A 59 -7.618 6.964 4.653 1.00 0.00 N ATOM 937 CA ALA A 59 -8.514 6.445 3.622 1.00 0.00 C ATOM 938 C ALA A 59 -8.102 6.898 2.223 1.00 0.00 C ATOM 939 O ALA A 59 -8.110 6.107 1.280 1.00 0.00 O ATOM 940 CB ALA A 59 -9.946 6.869 3.910 1.00 0.00 C ATOM 0 H ALA A 59 -8.070 7.571 5.337 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.446 5.357 3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.605 6.476 3.135 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.253 6.478 4.880 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.008 7.957 3.922 1.00 0.00 H new ATOM 946 N SER A 60 -7.740 8.169 2.095 1.00 0.00 N ATOM 947 CA SER A 60 -7.346 8.731 0.804 1.00 0.00 C ATOM 948 C SER A 60 -6.168 7.981 0.182 1.00 0.00 C ATOM 949 O SER A 60 -6.218 7.592 -0.984 1.00 0.00 O ATOM 950 CB SER A 60 -6.989 10.210 0.960 1.00 0.00 C ATOM 951 OG SER A 60 -8.102 10.957 1.419 1.00 0.00 O ATOM 0 H SER A 60 -7.710 8.833 2.869 1.00 0.00 H new ATOM 0 HA SER A 60 -8.198 8.624 0.133 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.162 10.316 1.662 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.649 10.608 0.004 1.00 0.00 H new ATOM 0 HG SER A 60 -7.848 11.899 1.512 1.00 0.00 H new ATOM 957 N ALA A 61 -5.107 7.788 0.959 1.00 0.00 N ATOM 958 CA ALA A 61 -3.914 7.105 0.466 1.00 0.00 C ATOM 959 C ALA A 61 -4.136 5.604 0.275 1.00 0.00 C ATOM 960 O ALA A 61 -3.732 5.036 -0.739 1.00 0.00 O ATOM 961 CB ALA A 61 -2.745 7.351 1.408 1.00 0.00 C ATOM 0 H ALA A 61 -5.048 8.094 1.930 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.686 7.520 -0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.860 6.838 1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.545 8.421 1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.991 6.971 2.400 1.00 0.00 H new ATOM 967 N VAL A 62 -4.773 4.966 1.251 1.00 0.00 N ATOM 968 CA VAL A 62 -5.031 3.529 1.186 1.00 0.00 C ATOM 969 C VAL A 62 -5.848 3.157 -0.052 1.00 0.00 C ATOM 970 O VAL A 62 -5.676 2.074 -0.613 1.00 0.00 O ATOM 971 CB VAL A 62 -5.760 3.034 2.455 1.00 0.00 C ATOM 972 CG1 VAL A 62 -6.206 1.586 2.301 1.00 0.00 C ATOM 973 CG2 VAL A 62 -4.860 3.181 3.672 1.00 0.00 C ATOM 0 H VAL A 62 -5.120 5.419 2.096 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.060 3.038 1.120 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.649 3.649 2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.716 1.264 3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.886 1.503 1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.335 0.953 2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.387 2.828 4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.955 2.591 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.592 4.230 3.802 1.00 0.00 H new ATOM 983 N THR A 63 -6.727 4.058 -0.480 1.00 0.00 N ATOM 984 CA THR A 63 -7.564 3.805 -1.649 1.00 0.00 C ATOM 985 C THR A 63 -6.766 3.904 -2.946 1.00 0.00 C ATOM 986 O THR A 63 -6.768 2.977 -3.757 1.00 0.00 O ATOM 987 CB THR A 63 -8.753 4.781 -1.717 1.00 0.00 C ATOM 988 OG1 THR A 63 -8.293 6.127 -1.551 1.00 0.00 O ATOM 989 CG2 THR A 63 -9.784 4.452 -0.647 1.00 0.00 C ATOM 0 H THR A 63 -6.878 4.965 -0.038 1.00 0.00 H new ATOM 0 HA THR A 63 -7.942 2.788 -1.540 1.00 0.00 H new ATOM 0 HB THR A 63 -9.224 4.679 -2.695 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.213 6.330 -0.596 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.615 5.154 -0.714 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.153 3.438 -0.797 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.323 4.528 0.338 1.00 0.00 H new ATOM 997 N LYS A 64 -6.085 5.032 -3.140 1.00 0.00 N ATOM 998 CA LYS A 64 -5.288 5.244 -4.345 1.00 0.00 C ATOM 999 C LYS A 64 -4.135 4.248 -4.423 1.00 0.00 C ATOM 1000 O LYS A 64 -3.629 3.955 -5.506 1.00 0.00 O ATOM 1001 CB LYS A 64 -4.753 6.680 -4.388 1.00 0.00 C ATOM 1002 CG LYS A 64 -3.860 7.046 -3.209 1.00 0.00 C ATOM 1003 CD LYS A 64 -2.407 6.669 -3.463 1.00 0.00 C ATOM 1004 CE LYS A 64 -1.524 7.009 -2.273 1.00 0.00 C ATOM 1005 NZ LYS A 64 -1.418 8.479 -2.060 1.00 0.00 N ATOM 0 H LYS A 64 -6.069 5.810 -2.481 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.934 5.084 -5.208 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.192 6.820 -5.312 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.596 7.370 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.930 8.117 -3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.216 6.539 -2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.339 5.602 -3.674 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.044 7.193 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.929 6.541 -1.376 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.529 6.592 -2.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.692 8.674 -1.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.154 8.941 -2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.334 8.850 -1.736 1.00 0.00 H new ATOM 1019 N ALA A 65 -3.726 3.734 -3.269 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.627 2.776 -3.201 1.00 0.00 C ATOM 1021 C ALA A 65 -2.914 1.547 -4.056 1.00 0.00 C ATOM 1022 O ALA A 65 -1.998 0.932 -4.603 1.00 0.00 O ATOM 1023 CB ALA A 65 -2.371 2.367 -1.758 1.00 0.00 C ATOM 0 H ALA A 65 -4.139 3.965 -2.365 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.733 3.260 -3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.549 1.652 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.112 3.248 -1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.269 1.907 -1.345 1.00 0.00 H new ATOM 1029 N ILE A 66 -4.190 1.195 -4.167 1.00 0.00 N ATOM 1030 CA ILE A 66 -4.601 0.038 -4.952 1.00 0.00 C ATOM 1031 C ILE A 66 -4.503 0.320 -6.449 1.00 0.00 C ATOM 1032 O ILE A 66 -4.052 -0.527 -7.216 1.00 0.00 O ATOM 1033 CB ILE A 66 -6.048 -0.382 -4.615 1.00 0.00 C ATOM 1034 CG1 ILE A 66 -6.172 -0.732 -3.128 1.00 0.00 C ATOM 1035 CG2 ILE A 66 -6.480 -1.557 -5.482 1.00 0.00 C ATOM 1036 CD1 ILE A 66 -5.379 -1.956 -2.716 1.00 0.00 C ATOM 0 H ILE A 66 -4.959 1.696 -3.722 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.921 -0.774 -4.695 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.709 0.459 -4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.840 0.120 -2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.223 -0.895 -2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.502 -1.839 -5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.431 -1.271 -6.533 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.816 -2.403 -5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.518 -2.138 -1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.726 -2.821 -3.280 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.321 -1.790 -2.920 1.00 0.00 H new ATOM 1048 N ASN A 67 -4.923 1.516 -6.854 1.00 0.00 N ATOM 1049 CA ASN A 67 -4.897 1.905 -8.263 1.00 0.00 C ATOM 1050 C ASN A 67 -3.471 1.998 -8.800 1.00 0.00 C ATOM 1051 O ASN A 67 -3.202 1.606 -9.936 1.00 0.00 O ATOM 1052 CB ASN A 67 -5.610 3.247 -8.452 1.00 0.00 C ATOM 1053 CG ASN A 67 -5.590 3.718 -9.895 1.00 0.00 C ATOM 1054 OD1 ASN A 67 -5.556 4.919 -10.166 1.00 0.00 O ATOM 1055 ND2 ASN A 67 -5.615 2.775 -10.830 1.00 0.00 N ATOM 0 H ASN A 67 -5.286 2.234 -6.226 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.417 1.131 -8.827 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.643 3.156 -8.117 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.136 3.999 -7.821 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.606 3.034 -11.816 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.643 1.791 -10.562 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.563 2.518 -7.984 1.00 0.00 N ATOM 1063 CA ILE A 68 -1.171 2.671 -8.392 1.00 0.00 C ATOM 1064 C ILE A 68 -0.438 1.332 -8.416 1.00 0.00 C ATOM 1065 O ILE A 68 0.266 1.019 -9.374 1.00 0.00 O ATOM 1066 CB ILE A 68 -0.421 3.640 -7.454 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.110 5.008 -7.443 1.00 0.00 C ATOM 1068 CG2 ILE A 68 1.035 3.772 -7.880 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.515 5.983 -6.449 1.00 0.00 C ATOM 0 H ILE A 68 -2.764 2.841 -7.037 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.185 3.081 -9.402 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.444 3.236 -6.442 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.053 5.441 -8.442 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.167 4.870 -7.215 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.550 4.459 -7.208 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.516 2.795 -7.838 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.083 4.157 -8.899 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.055 6.929 -6.499 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.596 5.572 -5.443 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.535 6.151 -6.689 1.00 0.00 H new ATOM 1081 N PHE A 69 -0.608 0.548 -7.358 1.00 0.00 N ATOM 1082 CA PHE A 69 0.050 -0.751 -7.253 1.00 0.00 C ATOM 1083 C PHE A 69 -0.403 -1.705 -8.353 1.00 0.00 C ATOM 1084 O PHE A 69 0.417 -2.378 -8.978 1.00 0.00 O ATOM 1085 CB PHE A 69 -0.230 -1.375 -5.885 1.00 0.00 C ATOM 1086 CG PHE A 69 0.491 -2.674 -5.660 1.00 0.00 C ATOM 1087 CD1 PHE A 69 1.859 -2.692 -5.440 1.00 0.00 C ATOM 1088 CD2 PHE A 69 -0.199 -3.874 -5.674 1.00 0.00 C ATOM 1089 CE1 PHE A 69 2.524 -3.885 -5.235 1.00 0.00 C ATOM 1090 CE2 PHE A 69 0.461 -5.070 -5.471 1.00 0.00 C ATOM 1091 CZ PHE A 69 1.825 -5.076 -5.251 1.00 0.00 C ATOM 0 H PHE A 69 -1.196 0.788 -6.560 1.00 0.00 H new ATOM 0 HA PHE A 69 1.121 -0.585 -7.369 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.059 -0.669 -5.106 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.302 -1.541 -5.783 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.411 -1.764 -5.429 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.265 -3.875 -5.846 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.590 -3.887 -5.062 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.089 -6.000 -5.484 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.343 -6.010 -5.092 1.00 0.00 H new ATOM 1101 N GLN A 70 -1.710 -1.762 -8.585 1.00 0.00 N ATOM 1102 CA GLN A 70 -2.269 -2.655 -9.594 1.00 0.00 C ATOM 1103 C GLN A 70 -1.737 -2.344 -10.993 1.00 0.00 C ATOM 1104 O GLN A 70 -1.165 -3.206 -11.658 1.00 0.00 O ATOM 1105 CB GLN A 70 -3.806 -2.589 -9.577 1.00 0.00 C ATOM 1106 CG GLN A 70 -4.394 -1.269 -10.052 1.00 0.00 C ATOM 1107 CD GLN A 70 -5.909 -1.271 -10.031 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -6.555 -1.619 -11.021 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -6.487 -0.886 -8.900 1.00 0.00 N ATOM 0 H GLN A 70 -2.402 -1.201 -8.088 1.00 0.00 H new ATOM 0 HA GLN A 70 -1.953 -3.668 -9.343 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.197 -3.391 -10.203 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.152 -2.780 -8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.026 -0.462 -9.419 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.048 -1.064 -11.065 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.914 -0.606 -8.104 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.504 -0.870 -8.827 1.00 0.00 H new ATOM 1118 N LYS A 71 -1.902 -1.103 -11.419 1.00 0.00 N ATOM 1119 CA LYS A 71 -1.480 -0.675 -12.745 1.00 0.00 C ATOM 1120 C LYS A 71 0.035 -0.708 -12.919 1.00 0.00 C ATOM 1121 O LYS A 71 0.530 -0.505 -14.028 1.00 0.00 O ATOM 1122 CB LYS A 71 -1.996 0.739 -13.019 1.00 0.00 C ATOM 1123 CG LYS A 71 -3.515 0.846 -13.033 1.00 0.00 C ATOM 1124 CD LYS A 71 -4.137 -0.030 -14.112 1.00 0.00 C ATOM 1125 CE LYS A 71 -3.705 0.398 -15.506 1.00 0.00 C ATOM 1126 NZ LYS A 71 -4.088 1.807 -15.797 1.00 0.00 N ATOM 0 H LYS A 71 -2.330 -0.366 -10.859 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.904 -1.380 -13.460 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.600 1.414 -12.260 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.608 1.078 -13.980 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.908 0.556 -12.059 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.804 1.884 -13.197 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.852 -1.069 -13.946 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.223 0.018 -14.037 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.625 0.288 -15.601 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.159 -0.262 -16.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.996 1.988 -16.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.073 1.966 -15.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.463 2.452 -15.273 1.00 0.00 H new ATOM 1140 N LEU A 72 0.778 -0.961 -11.846 1.00 0.00 N ATOM 1141 CA LEU A 72 2.234 -0.948 -11.946 1.00 0.00 C ATOM 1142 C LEU A 72 2.893 -2.325 -11.958 1.00 0.00 C ATOM 1143 O LEU A 72 3.827 -2.549 -12.728 1.00 0.00 O ATOM 1144 CB LEU A 72 2.792 -0.188 -10.751 1.00 0.00 C ATOM 1145 CG LEU A 72 3.326 1.214 -11.043 1.00 0.00 C ATOM 1146 CD1 LEU A 72 4.542 1.146 -11.955 1.00 0.00 C ATOM 1147 CD2 LEU A 72 2.241 2.088 -11.656 1.00 0.00 C ATOM 0 H LEU A 72 0.409 -1.173 -10.919 1.00 0.00 H new ATOM 0 HA LEU A 72 2.460 -0.481 -12.905 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.008 -0.108 -9.998 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.597 -0.778 -10.313 1.00 0.00 H new ATOM 0 HG LEU A 72 3.632 1.665 -10.099 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.907 2.154 -12.151 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.327 0.563 -11.472 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.265 0.671 -12.896 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.643 3.081 -11.856 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.898 1.641 -12.589 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.404 2.168 -10.963 1.00 0.00 H new ATOM 1159 N ASN A 73 2.428 -3.247 -11.126 1.00 0.00 N ATOM 1160 CA ASN A 73 3.060 -4.565 -11.075 1.00 0.00 C ATOM 1161 C ASN A 73 2.111 -5.741 -11.291 1.00 0.00 C ATOM 1162 O ASN A 73 2.366 -6.604 -12.133 1.00 0.00 O ATOM 1163 CB ASN A 73 3.774 -4.737 -9.735 1.00 0.00 C ATOM 1164 CG ASN A 73 4.843 -3.686 -9.513 1.00 0.00 C ATOM 1165 OD1 ASN A 73 4.582 -2.629 -8.938 1.00 0.00 O ATOM 1166 ND2 ASN A 73 6.056 -3.971 -9.972 1.00 0.00 N ATOM 0 H ASN A 73 1.639 -3.117 -10.493 1.00 0.00 H new ATOM 0 HA ASN A 73 3.760 -4.587 -11.911 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.044 -4.685 -8.928 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.227 -5.727 -9.692 1.00 0.00 H new ATOM 0 HD21 ASN A 73 6.816 -3.301 -9.854 1.00 0.00 H new ATOM 0 HD22 ASN A 73 6.227 -4.860 -10.443 1.00 0.00 H new ATOM 1173 N TYR A 74 1.022 -5.776 -10.534 1.00 0.00 N ATOM 1174 CA TYR A 74 0.091 -6.906 -10.605 1.00 0.00 C ATOM 1175 C TYR A 74 -1.375 -6.491 -10.577 1.00 0.00 C ATOM 1176 O TYR A 74 -2.096 -6.822 -9.634 1.00 0.00 O ATOM 1177 CB TYR A 74 0.371 -7.889 -9.468 1.00 0.00 C ATOM 1178 CG TYR A 74 1.682 -8.628 -9.612 1.00 0.00 C ATOM 1179 CD1 TYR A 74 1.785 -9.743 -10.434 1.00 0.00 C ATOM 1180 CD2 TYR A 74 2.814 -8.213 -8.923 1.00 0.00 C ATOM 1181 CE1 TYR A 74 2.981 -10.423 -10.567 1.00 0.00 C ATOM 1182 CE2 TYR A 74 4.014 -8.887 -9.052 1.00 0.00 C ATOM 1183 CZ TYR A 74 4.092 -9.991 -9.873 1.00 0.00 C ATOM 1184 OH TYR A 74 5.284 -10.666 -10.004 1.00 0.00 O ATOM 0 H TYR A 74 0.759 -5.047 -9.870 1.00 0.00 H new ATOM 0 HA TYR A 74 0.262 -7.383 -11.570 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.372 -7.346 -8.523 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.441 -8.614 -9.418 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.917 -10.084 -10.978 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.756 -7.350 -8.276 1.00 0.00 H new ATOM 0 HE1 TYR A 74 3.045 -11.288 -11.211 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.886 -8.550 -8.512 1.00 0.00 H new ATOM 0 HH TYR A 74 5.967 -10.234 -9.450 1.00 0.00 H new ATOM 1194 N MET A 75 -1.816 -5.754 -11.589 1.00 0.00 N ATOM 1195 CA MET A 75 -3.207 -5.314 -11.655 1.00 0.00 C ATOM 1196 C MET A 75 -4.173 -6.486 -11.477 1.00 0.00 C ATOM 1197 O MET A 75 -5.367 -6.287 -11.252 1.00 0.00 O ATOM 1198 CB MET A 75 -3.479 -4.599 -12.984 1.00 0.00 C ATOM 1199 CG MET A 75 -3.175 -5.443 -14.211 1.00 0.00 C ATOM 1200 SD MET A 75 -4.511 -6.580 -14.630 1.00 0.00 S ATOM 1201 CE MET A 75 -5.798 -5.429 -15.106 1.00 0.00 C ATOM 0 H MET A 75 -1.236 -5.449 -12.371 1.00 0.00 H new ATOM 0 HA MET A 75 -3.374 -4.615 -10.835 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.525 -4.295 -13.014 1.00 0.00 H new ATOM 0 HB3 MET A 75 -2.881 -3.688 -13.024 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.985 -4.786 -15.060 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.262 -6.012 -14.037 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.163 -5.683 -16.101 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.620 -5.486 -14.392 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.395 -4.416 -15.115 1.00 0.00 H new ATOM 1211 N HIS A 76 -3.650 -7.704 -11.578 1.00 0.00 N ATOM 1212 CA HIS A 76 -4.463 -8.907 -11.425 1.00 0.00 C ATOM 1213 C HIS A 76 -4.692 -9.255 -9.951 1.00 0.00 C ATOM 1214 O HIS A 76 -5.825 -9.499 -9.533 1.00 0.00 O ATOM 1215 CB HIS A 76 -3.795 -10.085 -12.134 1.00 0.00 C ATOM 1216 CG HIS A 76 -3.553 -9.850 -13.592 1.00 0.00 C ATOM 1217 ND1 HIS A 76 -2.379 -9.342 -14.104 1.00 0.00 N ATOM 1218 CD2 HIS A 76 -4.362 -10.069 -14.660 1.00 0.00 C ATOM 1219 CE1 HIS A 76 -2.509 -9.268 -15.436 1.00 0.00 C ATOM 1220 NE2 HIS A 76 -3.694 -9.699 -15.824 1.00 0.00 N ATOM 0 H HIS A 76 -2.664 -7.885 -11.766 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.434 -8.707 -11.878 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -2.844 -10.299 -11.647 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -4.420 -10.970 -12.016 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.365 -10.467 -14.614 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.743 -8.903 -16.105 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -4.048 -9.750 -16.779 1.00 0.00 H new ATOM 1228 N ILE A 77 -3.613 -9.276 -9.167 1.00 0.00 N ATOM 1229 CA ILE A 77 -3.700 -9.623 -7.747 1.00 0.00 C ATOM 1230 C ILE A 77 -4.405 -8.542 -6.929 1.00 0.00 C ATOM 1231 O ILE A 77 -5.147 -8.848 -5.996 1.00 0.00 O ATOM 1232 CB ILE A 77 -2.302 -9.890 -7.138 1.00 0.00 C ATOM 1233 CG1 ILE A 77 -2.433 -10.728 -5.864 1.00 0.00 C ATOM 1234 CG2 ILE A 77 -1.578 -8.582 -6.841 1.00 0.00 C ATOM 1235 CD1 ILE A 77 -1.103 -11.179 -5.294 1.00 0.00 C ATOM 0 H ILE A 77 -2.671 -9.057 -9.490 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.293 -10.536 -7.699 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.712 -10.445 -7.867 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.963 -10.147 -5.110 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.043 -11.605 -6.078 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.599 -8.797 -6.414 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.455 -8.016 -7.765 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.162 -7.996 -6.132 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.274 -11.768 -4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.579 -11.788 -6.031 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.498 -10.306 -5.048 1.00 0.00 H new ATOM 1247 N ALA A 78 -4.169 -7.280 -7.278 1.00 0.00 N ATOM 1248 CA ALA A 78 -4.779 -6.167 -6.559 1.00 0.00 C ATOM 1249 C ALA A 78 -6.301 -6.261 -6.577 1.00 0.00 C ATOM 1250 O ALA A 78 -6.967 -5.823 -5.640 1.00 0.00 O ATOM 1251 CB ALA A 78 -4.321 -4.842 -7.148 1.00 0.00 C ATOM 0 H ALA A 78 -3.563 -7.004 -8.050 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.454 -6.221 -5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.785 -4.021 -6.601 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.237 -4.764 -7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.613 -4.790 -8.197 1.00 0.00 H new ATOM 1257 N ASN A 79 -6.843 -6.833 -7.647 1.00 0.00 N ATOM 1258 CA ASN A 79 -8.289 -6.985 -7.785 1.00 0.00 C ATOM 1259 C ASN A 79 -8.877 -7.705 -6.574 1.00 0.00 C ATOM 1260 O ASN A 79 -9.999 -7.422 -6.154 1.00 0.00 O ATOM 1261 CB ASN A 79 -8.619 -7.758 -9.065 1.00 0.00 C ATOM 1262 CG ASN A 79 -10.092 -7.698 -9.423 1.00 0.00 C ATOM 1263 OD1 ASN A 79 -10.953 -7.583 -8.552 1.00 0.00 O ATOM 1264 ND2 ASN A 79 -10.389 -7.776 -10.715 1.00 0.00 N ATOM 0 H ASN A 79 -6.304 -7.199 -8.432 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.733 -5.991 -7.844 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -8.032 -7.354 -9.890 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.321 -8.799 -8.942 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.362 -7.741 -11.018 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.644 -7.871 -11.405 1.00 0.00 H new ATOM 1271 N ALA A 80 -8.112 -8.636 -6.015 1.00 0.00 N ATOM 1272 CA ALA A 80 -8.557 -9.394 -4.852 1.00 0.00 C ATOM 1273 C ALA A 80 -8.569 -8.527 -3.595 1.00 0.00 C ATOM 1274 O ALA A 80 -9.439 -8.674 -2.737 1.00 0.00 O ATOM 1275 CB ALA A 80 -7.669 -10.612 -4.646 1.00 0.00 C ATOM 0 H ALA A 80 -7.181 -8.884 -6.349 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.578 -9.727 -5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.012 -11.169 -3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.718 -11.251 -5.528 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.640 -10.289 -4.488 1.00 0.00 H new ATOM 1281 N LEU A 81 -7.599 -7.622 -3.496 1.00 0.00 N ATOM 1282 CA LEU A 81 -7.490 -6.736 -2.341 1.00 0.00 C ATOM 1283 C LEU A 81 -8.583 -5.669 -2.339 1.00 0.00 C ATOM 1284 O LEU A 81 -9.216 -5.424 -1.312 1.00 0.00 O ATOM 1285 CB LEU A 81 -6.115 -6.065 -2.310 1.00 0.00 C ATOM 1286 CG LEU A 81 -4.947 -6.986 -1.947 1.00 0.00 C ATOM 1287 CD1 LEU A 81 -4.627 -7.929 -3.096 1.00 0.00 C ATOM 1288 CD2 LEU A 81 -3.723 -6.165 -1.571 1.00 0.00 C ATOM 0 H LEU A 81 -6.877 -7.483 -4.203 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.615 -7.350 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.920 -5.627 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.145 -5.244 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.238 -7.588 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.794 -8.574 -2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.501 -8.541 -3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.356 -7.349 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.901 -6.834 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.432 -5.538 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.957 -5.534 -0.714 1.00 0.00 H new ATOM 1300 N GLU A 82 -8.796 -5.034 -3.488 1.00 0.00 N ATOM 1301 CA GLU A 82 -9.809 -3.990 -3.603 1.00 0.00 C ATOM 1302 C GLU A 82 -11.187 -4.521 -3.213 1.00 0.00 C ATOM 1303 O GLU A 82 -12.051 -3.765 -2.771 1.00 0.00 O ATOM 1304 CB GLU A 82 -9.847 -3.428 -5.027 1.00 0.00 C ATOM 1305 CG GLU A 82 -10.298 -4.435 -6.072 1.00 0.00 C ATOM 1306 CD GLU A 82 -10.414 -3.828 -7.457 1.00 0.00 C ATOM 1307 OE1 GLU A 82 -11.492 -3.285 -7.779 1.00 0.00 O ATOM 1308 OE2 GLU A 82 -9.428 -3.896 -8.220 1.00 0.00 O ATOM 0 H GLU A 82 -8.283 -5.223 -4.349 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.541 -3.187 -2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.517 -2.569 -5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.854 -3.065 -5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.591 -5.264 -6.101 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.263 -4.849 -5.779 1.00 0.00 H new ATOM 1315 N GLU A 83 -11.381 -5.827 -3.379 1.00 0.00 N ATOM 1316 CA GLU A 83 -12.652 -6.461 -3.043 1.00 0.00 C ATOM 1317 C GLU A 83 -12.901 -6.420 -1.538 1.00 0.00 C ATOM 1318 O GLU A 83 -14.031 -6.228 -1.090 1.00 0.00 O ATOM 1319 CB GLU A 83 -12.669 -7.911 -3.535 1.00 0.00 C ATOM 1320 CG GLU A 83 -13.988 -8.625 -3.284 1.00 0.00 C ATOM 1321 CD GLU A 83 -13.969 -10.067 -3.751 1.00 0.00 C ATOM 1322 OE1 GLU A 83 -14.269 -10.311 -4.939 1.00 0.00 O ATOM 1323 OE2 GLU A 83 -13.657 -10.954 -2.929 1.00 0.00 O ATOM 0 H GLU A 83 -10.675 -6.466 -3.744 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.448 -5.906 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.456 -7.925 -4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.868 -8.462 -3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.216 -8.595 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.789 -8.092 -3.796 1.00 0.00 H new ATOM 1330 N LYS A 84 -11.835 -6.606 -0.764 1.00 0.00 N ATOM 1331 CA LYS A 84 -11.928 -6.593 0.691 1.00 0.00 C ATOM 1332 C LYS A 84 -12.448 -5.250 1.200 1.00 0.00 C ATOM 1333 O LYS A 84 -13.090 -5.183 2.248 1.00 0.00 O ATOM 1334 CB LYS A 84 -10.560 -6.890 1.312 1.00 0.00 C ATOM 1335 CG LYS A 84 -10.590 -7.021 2.829 1.00 0.00 C ATOM 1336 CD LYS A 84 -11.522 -8.137 3.279 1.00 0.00 C ATOM 1337 CE LYS A 84 -11.022 -9.502 2.829 1.00 0.00 C ATOM 1338 NZ LYS A 84 -12.019 -10.575 3.093 1.00 0.00 N ATOM 0 H LYS A 84 -10.894 -6.768 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.635 -7.368 0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.170 -7.814 0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.867 -6.094 1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -9.583 -7.217 3.197 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.913 -6.078 3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.611 -8.122 4.365 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.520 -7.963 2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -10.795 -9.472 1.763 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.092 -9.736 3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.639 -11.488 2.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.217 -10.622 4.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.899 -10.366 2.579 1.00 0.00 H new ATOM 1352 N LYS A 85 -12.164 -4.187 0.452 1.00 0.00 N ATOM 1353 CA LYS A 85 -12.598 -2.844 0.828 1.00 0.00 C ATOM 1354 C LYS A 85 -14.097 -2.802 1.115 1.00 0.00 C ATOM 1355 O LYS A 85 -14.546 -2.060 1.990 1.00 0.00 O ATOM 1356 CB LYS A 85 -12.259 -1.846 -0.279 1.00 0.00 C ATOM 1357 CG LYS A 85 -10.768 -1.663 -0.505 1.00 0.00 C ATOM 1358 CD LYS A 85 -10.487 -0.655 -1.610 1.00 0.00 C ATOM 1359 CE LYS A 85 -10.580 0.779 -1.107 1.00 0.00 C ATOM 1360 NZ LYS A 85 -11.967 1.149 -0.712 1.00 0.00 N ATOM 0 H LYS A 85 -11.635 -4.230 -0.419 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.067 -2.570 1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.720 -2.179 -1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.701 -0.880 -0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.298 -1.330 0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.319 -2.622 -0.764 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.492 -0.833 -2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -11.197 -0.801 -2.424 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.915 0.906 -0.253 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.233 1.458 -1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.134 2.152 -0.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.646 0.563 -1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -12.092 0.990 0.308 1.00 0.00 H new ATOM 1374 N LYS A 86 -14.863 -3.594 0.370 1.00 0.00 N ATOM 1375 CA LYS A 86 -16.313 -3.645 0.543 1.00 0.00 C ATOM 1376 C LYS A 86 -16.686 -3.834 2.011 1.00 0.00 C ATOM 1377 O LYS A 86 -17.485 -3.076 2.559 1.00 0.00 O ATOM 1378 CB LYS A 86 -16.908 -4.781 -0.290 1.00 0.00 C ATOM 1379 CG LYS A 86 -16.593 -4.678 -1.774 1.00 0.00 C ATOM 1380 CD LYS A 86 -17.011 -5.933 -2.527 1.00 0.00 C ATOM 1381 CE LYS A 86 -18.501 -5.941 -2.834 1.00 0.00 C ATOM 1382 NZ LYS A 86 -19.329 -6.026 -1.599 1.00 0.00 N ATOM 0 H LYS A 86 -14.504 -4.210 -0.360 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.723 -2.694 0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.532 -5.732 0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.990 -4.790 -0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -17.105 -3.813 -2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.524 -4.512 -1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.448 -6.002 -3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -16.758 -6.813 -1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -18.762 -5.036 -3.383 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -18.732 -6.786 -3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -20.180 -6.593 -1.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -18.776 -6.475 -0.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -19.610 -5.069 -1.303 1.00 0.00 H new ATOM 1396 N GLU A 87 -16.103 -4.850 2.637 1.00 0.00 N ATOM 1397 CA GLU A 87 -16.372 -5.145 4.042 1.00 0.00 C ATOM 1398 C GLU A 87 -15.619 -4.181 4.956 1.00 0.00 C ATOM 1399 O GLU A 87 -16.061 -3.890 6.065 1.00 0.00 O ATOM 1400 CB GLU A 87 -15.973 -6.588 4.362 1.00 0.00 C ATOM 1401 CG GLU A 87 -16.402 -7.045 5.748 1.00 0.00 C ATOM 1402 CD GLU A 87 -17.908 -7.142 5.888 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -18.554 -6.092 6.082 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -18.441 -8.269 5.803 1.00 0.00 O ATOM 0 H GLU A 87 -15.439 -5.485 2.194 1.00 0.00 H new ATOM 0 HA GLU A 87 -17.440 -5.021 4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.413 -7.251 3.617 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.891 -6.685 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -15.957 -8.017 5.960 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.015 -6.349 6.492 1.00 0.00 H new ATOM 1411 N ALA A 88 -14.479 -3.694 4.479 1.00 0.00 N ATOM 1412 CA ALA A 88 -13.648 -2.771 5.249 1.00 0.00 C ATOM 1413 C ALA A 88 -14.444 -1.572 5.764 1.00 0.00 C ATOM 1414 O ALA A 88 -14.099 -0.991 6.794 1.00 0.00 O ATOM 1415 CB ALA A 88 -12.475 -2.298 4.406 1.00 0.00 C ATOM 0 H ALA A 88 -14.106 -3.924 3.558 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.277 -3.313 6.119 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.862 -1.611 4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.873 -3.156 4.106 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.848 -1.788 3.518 1.00 0.00 H new ATOM 1421 N GLU A 89 -15.501 -1.202 5.046 1.00 0.00 N ATOM 1422 CA GLU A 89 -16.326 -0.056 5.426 1.00 0.00 C ATOM 1423 C GLU A 89 -16.779 -0.132 6.887 1.00 0.00 C ATOM 1424 O GLU A 89 -16.709 0.862 7.612 1.00 0.00 O ATOM 1425 CB GLU A 89 -17.548 0.055 4.509 1.00 0.00 C ATOM 1426 CG GLU A 89 -18.517 -1.109 4.630 1.00 0.00 C ATOM 1427 CD GLU A 89 -19.753 -0.931 3.772 1.00 0.00 C ATOM 1428 OE1 GLU A 89 -19.708 -1.303 2.581 1.00 0.00 O ATOM 1429 OE2 GLU A 89 -20.768 -0.419 4.291 1.00 0.00 O ATOM 0 H GLU A 89 -15.807 -1.678 4.198 1.00 0.00 H new ATOM 0 HA GLU A 89 -15.707 0.834 5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.077 0.980 4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -17.209 0.127 3.476 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -18.010 -2.030 4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -18.816 -1.221 5.672 1.00 0.00 H new ATOM 1436 N ARG A 90 -17.241 -1.304 7.318 1.00 0.00 N ATOM 1437 CA ARG A 90 -17.706 -1.476 8.693 1.00 0.00 C ATOM 1438 C ARG A 90 -16.535 -1.495 9.672 1.00 0.00 C ATOM 1439 O ARG A 90 -16.706 -1.232 10.863 1.00 0.00 O ATOM 1440 CB ARG A 90 -18.527 -2.762 8.834 1.00 0.00 C ATOM 1441 CG ARG A 90 -17.737 -4.028 8.549 1.00 0.00 C ATOM 1442 CD ARG A 90 -18.497 -5.271 8.984 1.00 0.00 C ATOM 1443 NE ARG A 90 -18.827 -5.246 10.406 1.00 0.00 N ATOM 1444 CZ ARG A 90 -19.520 -6.201 11.019 1.00 0.00 C ATOM 1445 NH1 ARG A 90 -19.948 -7.256 10.337 1.00 0.00 N ATOM 1446 NH2 ARG A 90 -19.786 -6.103 12.314 1.00 0.00 N ATOM 0 H ARG A 90 -17.303 -2.142 6.741 1.00 0.00 H new ATOM 0 HA ARG A 90 -18.343 -0.625 8.933 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -18.929 -2.816 9.846 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -19.378 -2.715 8.154 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.518 -4.089 7.483 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -16.780 -3.985 9.069 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -19.414 -5.356 8.401 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -17.898 -6.156 8.767 1.00 0.00 H new ATOM 0 HE ARG A 90 -18.508 -4.451 10.960 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -19.745 -7.336 9.340 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -20.479 -7.987 10.809 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -19.459 -5.294 12.842 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -20.318 -6.837 12.782 1.00 0.00 H new ATOM 1460 N LYS A 91 -15.348 -1.806 9.165 1.00 0.00 N ATOM 1461 CA LYS A 91 -14.152 -1.856 9.997 1.00 0.00 C ATOM 1462 C LYS A 91 -13.551 -0.466 10.166 1.00 0.00 C ATOM 1463 O LYS A 91 -12.794 -0.214 11.105 1.00 0.00 O ATOM 1464 CB LYS A 91 -13.117 -2.801 9.385 1.00 0.00 C ATOM 1465 CG LYS A 91 -13.630 -4.219 9.192 1.00 0.00 C ATOM 1466 CD LYS A 91 -12.545 -5.143 8.661 1.00 0.00 C ATOM 1467 CE LYS A 91 -11.443 -5.359 9.688 1.00 0.00 C ATOM 1468 NZ LYS A 91 -11.974 -5.922 10.961 1.00 0.00 N ATOM 0 H LYS A 91 -15.188 -2.027 8.182 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.438 -2.231 10.979 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.799 -2.404 8.421 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.236 -2.826 10.026 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.003 -4.603 10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.472 -4.210 8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.984 -6.103 8.390 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.118 -4.720 7.752 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.692 -6.034 9.278 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.944 -4.411 9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.189 -6.305 11.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.454 -5.172 11.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.651 -6.683 10.749 1.00 0.00 H new ATOM 1482 N LEU A 92 -13.893 0.434 9.251 1.00 0.00 N ATOM 1483 CA LEU A 92 -13.391 1.803 9.293 1.00 0.00 C ATOM 1484 C LEU A 92 -14.190 2.645 10.283 1.00 0.00 C ATOM 1485 O LEU A 92 -13.704 3.660 10.783 1.00 0.00 O ATOM 1486 CB LEU A 92 -13.458 2.431 7.898 1.00 0.00 C ATOM 1487 CG LEU A 92 -12.947 3.872 7.807 1.00 0.00 C ATOM 1488 CD1 LEU A 92 -11.470 3.942 8.159 1.00 0.00 C ATOM 1489 CD2 LEU A 92 -13.195 4.437 6.415 1.00 0.00 C ATOM 0 H LEU A 92 -14.518 0.240 8.469 1.00 0.00 H new ATOM 0 HA LEU A 92 -12.353 1.776 9.624 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -12.880 1.813 7.211 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.492 2.407 7.555 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.497 4.478 8.528 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.128 4.974 8.088 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.321 3.579 9.176 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -10.901 3.323 7.466 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -12.826 5.462 6.367 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.673 3.828 5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.264 4.426 6.203 1.00 0.00 H new ATOM 1501 N MET A 93 -15.415 2.214 10.563 1.00 0.00 N ATOM 1502 CA MET A 93 -16.286 2.930 11.489 1.00 0.00 C ATOM 1503 C MET A 93 -16.219 2.324 12.889 1.00 0.00 C ATOM 1504 O MET A 93 -17.055 2.621 13.742 1.00 0.00 O ATOM 1505 CB MET A 93 -17.728 2.908 10.979 1.00 0.00 C ATOM 1506 CG MET A 93 -17.924 3.672 9.678 1.00 0.00 C ATOM 1507 SD MET A 93 -19.612 3.560 9.050 1.00 0.00 S ATOM 1508 CE MET A 93 -19.714 1.816 8.657 1.00 0.00 C ATOM 0 H MET A 93 -15.828 1.372 10.162 1.00 0.00 H new ATOM 0 HA MET A 93 -15.941 3.962 11.548 1.00 0.00 H new ATOM 0 HB2 MET A 93 -18.038 1.873 10.833 1.00 0.00 H new ATOM 0 HB3 MET A 93 -18.381 3.332 11.742 1.00 0.00 H new ATOM 0 HG2 MET A 93 -17.668 4.720 9.835 1.00 0.00 H new ATOM 0 HG3 MET A 93 -17.235 3.285 8.927 1.00 0.00 H new ATOM 0 HE1 MET A 93 -20.661 1.610 8.159 1.00 0.00 H new ATOM 0 HE2 MET A 93 -18.890 1.543 7.997 1.00 0.00 H new ATOM 0 HE3 MET A 93 -19.652 1.232 9.575 1.00 0.00 H new ATOM 1518 N THR A 94 -15.220 1.477 13.120 1.00 0.00 N ATOM 1519 CA THR A 94 -15.050 0.833 14.419 1.00 0.00 C ATOM 1520 C THR A 94 -13.707 1.205 15.044 1.00 0.00 C ATOM 1521 O THR A 94 -12.659 1.067 14.414 1.00 0.00 O ATOM 1522 CB THR A 94 -15.145 -0.700 14.305 1.00 0.00 C ATOM 1523 OG1 THR A 94 -16.355 -1.067 13.635 1.00 0.00 O ATOM 1524 CG2 THR A 94 -15.110 -1.349 15.682 1.00 0.00 C ATOM 0 H THR A 94 -14.517 1.221 12.426 1.00 0.00 H new ATOM 0 HA THR A 94 -15.858 1.191 15.058 1.00 0.00 H new ATOM 0 HB THR A 94 -14.288 -1.052 13.731 1.00 0.00 H new ATOM 0 HG1 THR A 94 -16.207 -1.061 12.666 1.00 0.00 H new ATOM 0 HG21 THR A 94 -15.178 -2.432 15.576 1.00 0.00 H new ATOM 0 HG22 THR A 94 -14.176 -1.092 16.182 1.00 0.00 H new ATOM 0 HG23 THR A 94 -15.950 -0.989 16.275 1.00 0.00 H new ATOM 1532 N ASN A 95 -13.750 1.675 16.288 1.00 0.00 N ATOM 1533 CA ASN A 95 -12.539 2.066 17.001 1.00 0.00 C ATOM 1534 C ASN A 95 -12.604 1.628 18.461 1.00 0.00 C ATOM 1535 O ASN A 95 -13.145 2.396 19.285 1.00 0.00 O ATOM 1536 CB ASN A 95 -12.335 3.579 16.920 1.00 0.00 C ATOM 1537 CG ASN A 95 -11.058 4.028 17.605 1.00 0.00 C ATOM 1538 OD1 ASN A 95 -11.049 4.308 18.804 1.00 0.00 O ATOM 1539 ND2 ASN A 95 -9.972 4.099 16.846 1.00 0.00 N ATOM 1540 OXT ASN A 95 -12.113 0.522 18.769 1.00 0.00 O ATOM 0 H ASN A 95 -14.611 1.794 16.822 1.00 0.00 H new ATOM 0 HA ASN A 95 -11.693 1.569 16.526 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -12.309 3.884 15.874 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -13.186 4.083 17.378 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.084 4.395 17.252 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.025 3.858 15.856 1.00 0.00 H new TER 1547 ASN A 95