USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 ASN :FLIP amide:sc= -0.275 F(o=-3.1,f=-0.28) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 29 LYS NZ :NH3+ 155:sc= -0.0636 (180deg=-0.618) USER MOD Set 2.2: A 74 CYS SG : rot -24:sc= -0.199 USER MOD Set 3.1: A 8 LYS NZ :NH3+ 140:sc= 0.535 (180deg=0.0374) USER MOD Set 3.2: A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ 175:sc= -0.0855 (180deg=-0.0866) USER MOD Single : A 1 SER OG : rot -49:sc= 0.252 USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= -0.0081 (180deg=-0.135) USER MOD Single : A 7 CYS SG : rot 180:sc= -1.79! USER MOD Single : A 10 MET CE :methyl -139:sc= -2.66 (180deg=-6.1!) USER MOD Single : A 12 TYR OH : rot 166:sc= 0.205 USER MOD Single : A 15 LYS NZ :NH3+ 139:sc= 0.965 (180deg=-0.716) USER MOD Single : A 17 GLN : amide:sc= 0.411 K(o=0.41,f=-0.87) USER MOD Single : A 19 SER OG : rot -35:sc= 1.53 USER MOD Single : A 23 ASN : amide:sc= -5.53! C(o=-5.5!,f=-8.5!) USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0124) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.19 F(o=-2,f=-1.2) USER MOD Single : A 39 SER OG : rot -29:sc= 1.15 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -134:sc= 1.2 (180deg=-0.668) USER MOD Single : A 48 ASN : amide:sc= -0.686 K(o=-0.69,f=-6.5!) USER MOD Single : A 58 THR OG1 : rot -29:sc= -1.16! USER MOD Single : A 60 LYS NZ :NH3+ -144:sc= 1.16 (180deg=0.691) USER MOD Single : A 62 SER OG : rot 180:sc= -0.528 USER MOD Single : A 63 THR OG1 : rot 173:sc= 0.751 USER MOD Single : A 70 TYR OH : rot -12:sc= 1.12 USER MOD Single : A 72 THR OG1 : rot 180:sc=-0.00513 USER MOD Single : A 73 SER OG : rot -57:sc= 1.33 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 170:sc=-0.000608 (180deg=-0.115) USER MOD Single : A 82 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.34) USER MOD Single : B 201 LYS NZ :NH3+ -169:sc= -0.0275 (180deg=-0.171) USER MOD Single : B 203 THR OG1 : rot 180:sc= 0.027 USER MOD Single : B 208 LYS NZ :NH3+ -143:sc= 1.26 (180deg=0.244) USER MOD Single : B 210 LYS NZ :NH3+ 169:sc= -0.0175 (180deg=-0.163) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD Single : B 213 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -17.985 6.114 8.618 1.00 0.00 N ATOM 2 CA SER A 1 -17.645 4.872 7.890 1.00 0.00 C ATOM 3 C SER A 1 -18.556 4.667 6.679 1.00 0.00 C ATOM 4 O SER A 1 -18.385 3.715 5.917 1.00 0.00 O ATOM 5 CB SER A 1 -17.735 3.677 8.847 1.00 0.00 C ATOM 6 OG SER A 1 -16.742 3.767 9.857 1.00 0.00 O ATOM 0 H1 SER A 1 -17.407 6.181 9.480 1.00 0.00 H new ATOM 0 H2 SER A 1 -17.796 6.936 8.010 1.00 0.00 H new ATOM 0 H3 SER A 1 -18.992 6.100 8.877 1.00 0.00 H new ATOM 0 HA SER A 1 -16.625 4.957 7.516 1.00 0.00 H new ATOM 0 HB2 SER A 1 -18.724 3.645 9.304 1.00 0.00 H new ATOM 0 HB3 SER A 1 -17.611 2.748 8.290 1.00 0.00 H new ATOM 0 HG SER A 1 -15.871 3.948 9.445 1.00 0.00 H new ATOM 14 N GLU A 2 -19.499 5.582 6.478 1.00 0.00 N ATOM 15 CA GLU A 2 -20.436 5.476 5.356 1.00 0.00 C ATOM 16 C GLU A 2 -19.778 5.909 4.044 1.00 0.00 C ATOM 17 O GLU A 2 -20.162 5.458 2.966 1.00 0.00 O ATOM 18 CB GLU A 2 -21.708 6.308 5.597 1.00 0.00 C ATOM 19 CG GLU A 2 -22.796 5.599 6.405 1.00 0.00 C ATOM 20 CD GLU A 2 -23.126 4.233 5.854 1.00 0.00 C ATOM 21 OE1 GLU A 2 -23.857 4.154 4.845 1.00 0.00 O ATOM 22 OE2 GLU A 2 -22.657 3.230 6.428 1.00 0.00 O ATOM 0 H GLU A 2 -19.637 6.401 7.070 1.00 0.00 H new ATOM 0 HA GLU A 2 -20.720 4.426 5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -21.431 7.227 6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -22.123 6.598 4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -22.470 5.501 7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -23.697 6.212 6.412 1.00 0.00 H new ATOM 29 N GLU A 3 -18.776 6.776 4.138 1.00 0.00 N ATOM 30 CA GLU A 3 -18.075 7.261 2.956 1.00 0.00 C ATOM 31 C GLU A 3 -17.014 6.248 2.536 1.00 0.00 C ATOM 32 O GLU A 3 -16.504 6.278 1.420 1.00 0.00 O ATOM 33 CB GLU A 3 -17.421 8.622 3.255 1.00 0.00 C ATOM 34 CG GLU A 3 -16.827 9.311 2.036 1.00 0.00 C ATOM 35 CD GLU A 3 -17.879 9.754 1.044 1.00 0.00 C ATOM 36 OE1 GLU A 3 -18.374 8.907 0.275 1.00 0.00 O ATOM 37 OE2 GLU A 3 -18.206 10.960 1.014 1.00 0.00 O ATOM 0 H GLU A 3 -18.432 7.157 5.019 1.00 0.00 H new ATOM 0 HA GLU A 3 -18.788 7.387 2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -18.166 9.280 3.703 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.635 8.479 3.997 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.250 10.178 2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.132 8.632 1.543 1.00 0.00 H new ATOM 44 N GLU A 4 -16.706 5.334 3.445 1.00 0.00 N ATOM 45 CA GLU A 4 -15.672 4.336 3.215 1.00 0.00 C ATOM 46 C GLU A 4 -16.170 3.217 2.306 1.00 0.00 C ATOM 47 O GLU A 4 -15.445 2.761 1.424 1.00 0.00 O ATOM 48 CB GLU A 4 -15.182 3.756 4.540 1.00 0.00 C ATOM 49 CG GLU A 4 -14.615 4.805 5.480 1.00 0.00 C ATOM 50 CD GLU A 4 -13.976 4.201 6.711 1.00 0.00 C ATOM 51 OE1 GLU A 4 -14.562 4.304 7.810 1.00 0.00 O ATOM 52 OE2 GLU A 4 -12.883 3.618 6.583 1.00 0.00 O ATOM 0 H GLU A 4 -17.161 5.263 4.355 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.840 4.833 2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.009 3.245 5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.417 3.006 4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.875 5.402 4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.412 5.483 5.785 1.00 0.00 H new ATOM 59 N ASP A 5 -17.408 2.779 2.512 1.00 0.00 N ATOM 60 CA ASP A 5 -17.973 1.725 1.672 1.00 0.00 C ATOM 61 C ASP A 5 -18.408 2.313 0.337 1.00 0.00 C ATOM 62 O ASP A 5 -18.452 1.623 -0.681 1.00 0.00 O ATOM 63 CB ASP A 5 -19.157 1.028 2.361 1.00 0.00 C ATOM 64 CG ASP A 5 -20.489 1.723 2.150 1.00 0.00 C ATOM 65 OD1 ASP A 5 -20.895 2.513 3.026 1.00 0.00 O ATOM 66 OD2 ASP A 5 -21.147 1.462 1.119 1.00 0.00 O ATOM 0 H ASP A 5 -18.031 3.129 3.240 1.00 0.00 H new ATOM 0 HA ASP A 5 -17.203 0.972 1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -19.229 0.006 1.990 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -18.957 0.966 3.431 1.00 0.00 H new ATOM 71 N LYS A 6 -18.701 3.603 0.351 1.00 0.00 N ATOM 72 CA LYS A 6 -19.129 4.303 -0.845 1.00 0.00 C ATOM 73 C LYS A 6 -17.942 5.051 -1.454 1.00 0.00 C ATOM 74 O LYS A 6 -18.101 5.959 -2.273 1.00 0.00 O ATOM 75 CB LYS A 6 -20.269 5.263 -0.486 1.00 0.00 C ATOM 76 CG LYS A 6 -21.032 5.813 -1.679 1.00 0.00 C ATOM 77 CD LYS A 6 -22.298 6.521 -1.227 1.00 0.00 C ATOM 78 CE LYS A 6 -23.058 7.127 -2.396 1.00 0.00 C ATOM 79 NZ LYS A 6 -22.288 8.210 -3.064 1.00 0.00 N ATOM 0 H LYS A 6 -18.649 4.188 1.185 1.00 0.00 H new ATOM 0 HA LYS A 6 -19.496 3.593 -1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -20.969 4.745 0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -19.858 6.098 0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -20.400 6.507 -2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -21.287 5.001 -2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -22.942 5.814 -0.703 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -22.041 7.306 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -23.289 6.347 -3.121 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -24.009 7.525 -2.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -22.907 8.718 -3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -21.930 8.874 -2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -21.488 7.797 -3.584 1.00 0.00 H new ATOM 93 N CYS A 7 -16.747 4.650 -1.045 1.00 0.00 N ATOM 94 CA CYS A 7 -15.520 5.285 -1.509 1.00 0.00 C ATOM 95 C CYS A 7 -15.236 4.888 -2.952 1.00 0.00 C ATOM 96 O CYS A 7 -15.345 3.717 -3.319 1.00 0.00 O ATOM 97 CB CYS A 7 -14.341 4.893 -0.610 1.00 0.00 C ATOM 98 SG CYS A 7 -12.939 6.032 -0.696 1.00 0.00 S ATOM 0 H CYS A 7 -16.600 3.883 -0.389 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.649 6.366 -1.461 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -14.687 4.837 0.422 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -14.002 3.895 -0.887 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.996 5.620 0.098 1.00 0.00 H new ATOM 104 N LYS A 8 -14.898 5.883 -3.764 1.00 0.00 N ATOM 105 CA LYS A 8 -14.598 5.699 -5.160 1.00 0.00 C ATOM 106 C LYS A 8 -13.460 4.694 -5.361 1.00 0.00 C ATOM 107 O LYS A 8 -12.419 4.779 -4.709 1.00 0.00 O ATOM 108 CB LYS A 8 -14.229 7.074 -5.696 1.00 0.00 C ATOM 109 CG LYS A 8 -14.265 7.232 -7.195 1.00 0.00 C ATOM 110 CD LYS A 8 -13.029 6.659 -7.868 1.00 0.00 C ATOM 111 CE LYS A 8 -12.975 6.998 -9.347 1.00 0.00 C ATOM 112 NZ LYS A 8 -11.835 6.331 -10.027 1.00 0.00 N ATOM 0 H LYS A 8 -14.826 6.853 -3.456 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.453 5.286 -5.695 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.906 7.807 -5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.225 7.320 -5.349 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.152 6.736 -7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.354 8.289 -7.444 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.137 7.045 -7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.018 5.576 -7.744 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.908 6.697 -9.823 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.889 8.078 -9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.138 5.995 -10.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.053 7.008 -10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.515 5.523 -9.456 1.00 0.00 H new ATOM 126 N PRO A 9 -13.652 3.741 -6.282 1.00 0.00 N ATOM 127 CA PRO A 9 -12.665 2.696 -6.572 1.00 0.00 C ATOM 128 C PRO A 9 -11.377 3.263 -7.157 1.00 0.00 C ATOM 129 O PRO A 9 -11.401 4.138 -8.024 1.00 0.00 O ATOM 130 CB PRO A 9 -13.374 1.794 -7.586 1.00 0.00 C ATOM 131 CG PRO A 9 -14.436 2.646 -8.191 1.00 0.00 C ATOM 132 CD PRO A 9 -14.851 3.621 -7.125 1.00 0.00 C ATOM 0 HA PRO A 9 -12.355 2.169 -5.670 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.680 1.432 -8.344 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.802 0.917 -7.101 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.061 3.168 -9.071 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.282 2.041 -8.516 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.140 4.582 -7.551 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.706 3.254 -6.557 1.00 0.00 H new ATOM 140 N MET A 10 -10.259 2.758 -6.667 1.00 0.00 N ATOM 141 CA MET A 10 -8.951 3.237 -7.069 1.00 0.00 C ATOM 142 C MET A 10 -8.597 2.731 -8.470 1.00 0.00 C ATOM 143 O MET A 10 -8.508 1.522 -8.695 1.00 0.00 O ATOM 144 CB MET A 10 -7.897 2.785 -6.058 1.00 0.00 C ATOM 145 CG MET A 10 -6.616 3.591 -6.143 1.00 0.00 C ATOM 146 SD MET A 10 -6.816 5.260 -5.498 1.00 0.00 S ATOM 147 CE MET A 10 -5.955 5.147 -3.931 1.00 0.00 C ATOM 0 H MET A 10 -10.233 2.005 -5.980 1.00 0.00 H new ATOM 0 HA MET A 10 -8.972 4.326 -7.096 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.307 2.868 -5.051 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.670 1.732 -6.224 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.830 3.080 -5.586 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.289 3.642 -7.182 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.518 5.683 -3.167 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.858 4.100 -3.644 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.964 5.590 -4.028 1.00 0.00 H new ATOM 157 N SER A 11 -8.411 3.656 -9.407 1.00 0.00 N ATOM 158 CA SER A 11 -8.093 3.300 -10.793 1.00 0.00 C ATOM 159 C SER A 11 -6.614 2.940 -10.953 1.00 0.00 C ATOM 160 O SER A 11 -5.843 3.035 -10.000 1.00 0.00 O ATOM 161 CB SER A 11 -8.466 4.442 -11.741 1.00 0.00 C ATOM 162 OG SER A 11 -9.825 4.817 -11.572 1.00 0.00 O ATOM 0 H SER A 11 -8.474 4.659 -9.235 1.00 0.00 H new ATOM 0 HA SER A 11 -8.683 2.421 -11.051 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.822 5.301 -11.554 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.295 4.134 -12.773 1.00 0.00 H new ATOM 0 HG SER A 11 -10.041 5.549 -12.186 1.00 0.00 H new ATOM 168 N TYR A 12 -6.223 2.552 -12.169 1.00 0.00 N ATOM 169 CA TYR A 12 -4.879 2.030 -12.430 1.00 0.00 C ATOM 170 C TYR A 12 -3.785 3.012 -12.039 1.00 0.00 C ATOM 171 O TYR A 12 -2.926 2.694 -11.220 1.00 0.00 O ATOM 172 CB TYR A 12 -4.711 1.654 -13.912 1.00 0.00 C ATOM 173 CG TYR A 12 -3.259 1.457 -14.319 1.00 0.00 C ATOM 174 CD1 TYR A 12 -2.428 0.603 -13.607 1.00 0.00 C ATOM 175 CD2 TYR A 12 -2.718 2.141 -15.400 1.00 0.00 C ATOM 176 CE1 TYR A 12 -1.104 0.436 -13.951 1.00 0.00 C ATOM 177 CE2 TYR A 12 -1.391 1.978 -15.757 1.00 0.00 C ATOM 178 CZ TYR A 12 -0.587 1.125 -15.028 1.00 0.00 C ATOM 179 OH TYR A 12 0.739 0.972 -15.369 1.00 0.00 O ATOM 0 H TYR A 12 -6.822 2.590 -12.993 1.00 0.00 H new ATOM 0 HA TYR A 12 -4.775 1.140 -11.809 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.265 0.737 -14.113 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.152 2.435 -14.531 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.828 0.057 -12.765 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.343 2.811 -15.971 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.475 -0.231 -13.380 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.986 2.516 -16.602 1.00 0.00 H new ATOM 0 HH TYR A 12 0.890 1.334 -16.267 1.00 0.00 H new ATOM 189 N GLU A 13 -3.813 4.191 -12.626 1.00 0.00 N ATOM 190 CA GLU A 13 -2.751 5.167 -12.429 1.00 0.00 C ATOM 191 C GLU A 13 -2.694 5.627 -10.978 1.00 0.00 C ATOM 192 O GLU A 13 -1.677 6.147 -10.517 1.00 0.00 O ATOM 193 CB GLU A 13 -2.949 6.344 -13.382 1.00 0.00 C ATOM 194 CG GLU A 13 -2.812 5.938 -14.841 1.00 0.00 C ATOM 195 CD GLU A 13 -3.192 7.043 -15.802 1.00 0.00 C ATOM 196 OE1 GLU A 13 -2.426 8.019 -15.923 1.00 0.00 O ATOM 197 OE2 GLU A 13 -4.255 6.937 -16.450 1.00 0.00 O ATOM 0 H GLU A 13 -4.561 4.501 -13.246 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.793 4.698 -12.654 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.936 6.778 -13.219 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.218 7.120 -13.153 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.782 5.636 -15.033 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.440 5.068 -15.030 1.00 0.00 H new ATOM 204 N GLU A 14 -3.775 5.396 -10.252 1.00 0.00 N ATOM 205 CA GLU A 14 -3.810 5.701 -8.836 1.00 0.00 C ATOM 206 C GLU A 14 -3.245 4.537 -8.047 1.00 0.00 C ATOM 207 O GLU A 14 -2.424 4.723 -7.159 1.00 0.00 O ATOM 208 CB GLU A 14 -5.214 6.017 -8.377 1.00 0.00 C ATOM 209 CG GLU A 14 -5.630 7.441 -8.711 1.00 0.00 C ATOM 210 CD GLU A 14 -5.794 7.684 -10.194 1.00 0.00 C ATOM 211 OE1 GLU A 14 -4.848 8.195 -10.826 1.00 0.00 O ATOM 212 OE2 GLU A 14 -6.876 7.368 -10.734 1.00 0.00 O ATOM 0 H GLU A 14 -4.638 4.998 -10.622 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.198 6.586 -8.660 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.910 5.320 -8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.283 5.865 -7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.570 7.665 -8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.885 8.132 -8.317 1.00 0.00 H new ATOM 219 N LYS A 15 -3.703 3.336 -8.385 1.00 0.00 N ATOM 220 CA LYS A 15 -3.155 2.111 -7.839 1.00 0.00 C ATOM 221 C LYS A 15 -1.645 2.035 -8.021 1.00 0.00 C ATOM 222 O LYS A 15 -0.908 1.757 -7.076 1.00 0.00 O ATOM 223 CB LYS A 15 -3.796 0.906 -8.510 1.00 0.00 C ATOM 224 CG LYS A 15 -5.202 0.607 -8.026 1.00 0.00 C ATOM 225 CD LYS A 15 -5.605 -0.804 -8.410 1.00 0.00 C ATOM 226 CE LYS A 15 -6.850 -1.272 -7.679 1.00 0.00 C ATOM 227 NZ LYS A 15 -7.440 -2.469 -8.332 1.00 0.00 N ATOM 0 H LYS A 15 -4.466 3.190 -9.046 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.374 2.107 -6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.821 1.073 -9.587 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.169 0.031 -8.338 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.253 0.725 -6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.902 1.322 -8.458 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.780 -0.849 -9.485 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.782 -1.485 -8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.601 -1.505 -6.644 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.585 -0.468 -7.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.753 -3.142 -7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.254 -2.182 -8.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.726 -2.921 -8.938 1.00 0.00 H new ATOM 241 N ARG A 16 -1.199 2.263 -9.244 1.00 0.00 N ATOM 242 CA ARG A 16 0.219 2.252 -9.557 1.00 0.00 C ATOM 243 C ARG A 16 0.950 3.292 -8.746 1.00 0.00 C ATOM 244 O ARG A 16 1.992 2.999 -8.159 1.00 0.00 O ATOM 245 CB ARG A 16 0.437 2.480 -11.056 1.00 0.00 C ATOM 246 CG ARG A 16 1.760 3.154 -11.412 1.00 0.00 C ATOM 247 CD ARG A 16 2.082 2.979 -12.882 1.00 0.00 C ATOM 248 NE ARG A 16 3.133 3.878 -13.343 1.00 0.00 N ATOM 249 CZ ARG A 16 3.533 3.947 -14.610 1.00 0.00 C ATOM 250 NH1 ARG A 16 2.974 3.166 -15.532 1.00 0.00 N ATOM 251 NH2 ARG A 16 4.490 4.795 -14.956 1.00 0.00 N ATOM 0 H ARG A 16 -1.804 2.459 -10.042 1.00 0.00 H new ATOM 0 HA ARG A 16 0.623 1.274 -9.297 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.385 1.519 -11.567 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.381 3.090 -11.440 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.707 4.216 -11.172 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.562 2.730 -10.808 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.388 1.948 -13.062 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.180 3.151 -13.469 1.00 0.00 H new ATOM 0 HE ARG A 16 3.585 4.485 -12.659 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.237 2.512 -15.268 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.283 3.221 -16.503 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.920 5.394 -14.251 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.797 4.849 -15.927 1.00 0.00 H new ATOM 265 N GLN A 17 0.404 4.498 -8.683 1.00 0.00 N ATOM 266 CA GLN A 17 1.052 5.525 -7.911 1.00 0.00 C ATOM 267 C GLN A 17 1.042 5.133 -6.441 1.00 0.00 C ATOM 268 O GLN A 17 2.025 5.316 -5.751 1.00 0.00 O ATOM 269 CB GLN A 17 0.423 6.909 -8.148 1.00 0.00 C ATOM 270 CG GLN A 17 1.230 8.025 -7.517 1.00 0.00 C ATOM 271 CD GLN A 17 2.640 8.071 -8.061 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.875 7.776 -9.234 1.00 0.00 O ATOM 273 NE2 GLN A 17 3.593 8.395 -7.210 1.00 0.00 N ATOM 0 H GLN A 17 -0.461 4.776 -9.146 1.00 0.00 H new ATOM 0 HA GLN A 17 2.087 5.611 -8.241 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.337 7.087 -9.220 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.588 6.920 -7.741 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.737 8.980 -7.701 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.261 7.886 -6.436 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.357 8.633 -6.247 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.566 8.408 -7.515 1.00 0.00 H new ATOM 282 N LEU A 18 -0.045 4.509 -6.005 1.00 0.00 N ATOM 283 CA LEU A 18 -0.192 4.055 -4.633 1.00 0.00 C ATOM 284 C LEU A 18 0.893 3.075 -4.262 1.00 0.00 C ATOM 285 O LEU A 18 1.553 3.237 -3.243 1.00 0.00 O ATOM 286 CB LEU A 18 -1.554 3.407 -4.406 1.00 0.00 C ATOM 287 CG LEU A 18 -2.494 4.154 -3.457 1.00 0.00 C ATOM 288 CD1 LEU A 18 -2.960 3.268 -2.323 1.00 0.00 C ATOM 289 CD2 LEU A 18 -1.842 5.397 -2.886 1.00 0.00 C ATOM 0 H LEU A 18 -0.850 4.304 -6.597 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.108 4.936 -3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.051 3.301 -5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.397 2.402 -4.016 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.358 4.451 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.625 3.833 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.493 2.408 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.098 2.924 -1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.541 5.900 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.947 5.116 -2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.569 6.070 -3.698 1.00 0.00 H new ATOM 301 N SER A 19 1.082 2.062 -5.097 1.00 0.00 N ATOM 302 CA SER A 19 2.106 1.070 -4.843 1.00 0.00 C ATOM 303 C SER A 19 3.472 1.753 -4.753 1.00 0.00 C ATOM 304 O SER A 19 4.383 1.276 -4.075 1.00 0.00 O ATOM 305 CB SER A 19 2.109 -0.002 -5.932 1.00 0.00 C ATOM 306 OG SER A 19 2.524 0.518 -7.187 1.00 0.00 O ATOM 0 H SER A 19 0.542 1.910 -5.949 1.00 0.00 H new ATOM 0 HA SER A 19 1.891 0.578 -3.894 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.773 -0.815 -5.639 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.109 -0.425 -6.027 1.00 0.00 H new ATOM 0 HG SER A 19 2.208 1.441 -7.279 1.00 0.00 H new ATOM 312 N LEU A 20 3.585 2.885 -5.445 1.00 0.00 N ATOM 313 CA LEU A 20 4.794 3.703 -5.414 1.00 0.00 C ATOM 314 C LEU A 20 4.867 4.581 -4.149 1.00 0.00 C ATOM 315 O LEU A 20 5.875 4.564 -3.449 1.00 0.00 O ATOM 316 CB LEU A 20 4.874 4.567 -6.675 1.00 0.00 C ATOM 317 CG LEU A 20 5.053 3.794 -7.983 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.974 4.732 -9.179 1.00 0.00 C ATOM 319 CD2 LEU A 20 6.374 3.052 -7.975 1.00 0.00 C ATOM 0 H LEU A 20 2.845 3.259 -6.040 1.00 0.00 H new ATOM 0 HA LEU A 20 5.650 3.029 -5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.965 5.164 -6.746 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.705 5.264 -6.567 1.00 0.00 H new ATOM 0 HG LEU A 20 4.245 3.068 -8.069 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.104 4.161 -10.098 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.002 5.224 -9.192 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.760 5.484 -9.105 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.490 2.506 -8.911 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.191 3.765 -7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.392 2.351 -7.141 1.00 0.00 H new ATOM 331 N ASP A 21 3.817 5.357 -3.857 1.00 0.00 N ATOM 332 CA ASP A 21 3.765 6.159 -2.646 1.00 0.00 C ATOM 333 C ASP A 21 4.009 5.285 -1.422 1.00 0.00 C ATOM 334 O ASP A 21 4.709 5.670 -0.478 1.00 0.00 O ATOM 335 CB ASP A 21 2.434 6.877 -2.516 1.00 0.00 C ATOM 336 CG ASP A 21 1.823 7.337 -3.823 1.00 0.00 C ATOM 337 OD1 ASP A 21 0.614 7.106 -4.035 1.00 0.00 O ATOM 338 OD2 ASP A 21 2.541 7.985 -4.618 1.00 0.00 O ATOM 0 H ASP A 21 2.992 5.441 -4.451 1.00 0.00 H new ATOM 0 HA ASP A 21 4.551 6.912 -2.710 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.728 6.214 -2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.568 7.745 -1.870 1.00 0.00 H new ATOM 343 N ILE A 22 3.455 4.088 -1.472 1.00 0.00 N ATOM 344 CA ILE A 22 3.619 3.107 -0.410 1.00 0.00 C ATOM 345 C ILE A 22 5.064 2.608 -0.339 1.00 0.00 C ATOM 346 O ILE A 22 5.611 2.429 0.747 1.00 0.00 O ATOM 347 CB ILE A 22 2.644 1.922 -0.586 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.200 2.372 -0.343 1.00 0.00 C ATOM 349 CG2 ILE A 22 2.995 0.796 0.364 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.169 1.372 -0.816 1.00 0.00 C ATOM 0 H ILE A 22 2.878 3.766 -2.249 1.00 0.00 H new ATOM 0 HA ILE A 22 3.382 3.602 0.532 1.00 0.00 H new ATOM 0 HB ILE A 22 2.735 1.561 -1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.058 2.552 0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.033 3.322 -0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.296 -0.029 0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.009 0.451 0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.933 1.154 1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.831 1.756 -0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.284 1.210 -1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.309 0.428 -0.289 1.00 0.00 H new ATOM 362 N ASN A 23 5.694 2.412 -1.491 1.00 0.00 N ATOM 363 CA ASN A 23 7.074 1.927 -1.522 1.00 0.00 C ATOM 364 C ASN A 23 8.062 3.037 -1.160 1.00 0.00 C ATOM 365 O ASN A 23 9.228 2.764 -0.879 1.00 0.00 O ATOM 366 CB ASN A 23 7.428 1.306 -2.888 1.00 0.00 C ATOM 367 CG ASN A 23 8.141 2.249 -3.854 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.523 2.884 -4.698 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.457 2.338 -3.740 1.00 0.00 N ATOM 0 H ASN A 23 5.280 2.578 -2.408 1.00 0.00 H new ATOM 0 HA ASN A 23 7.155 1.143 -0.769 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.059 0.433 -2.722 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.511 0.951 -3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.983 2.948 -4.366 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.945 1.796 -3.027 1.00 0.00 H new ATOM 376 N LYS A 24 7.603 4.287 -1.181 1.00 0.00 N ATOM 377 CA LYS A 24 8.429 5.409 -0.748 1.00 0.00 C ATOM 378 C LYS A 24 8.658 5.364 0.752 1.00 0.00 C ATOM 379 O LYS A 24 9.688 5.826 1.249 1.00 0.00 O ATOM 380 CB LYS A 24 7.772 6.735 -1.102 1.00 0.00 C ATOM 381 CG LYS A 24 7.685 6.987 -2.588 1.00 0.00 C ATOM 382 CD LYS A 24 6.926 8.264 -2.876 1.00 0.00 C ATOM 383 CE LYS A 24 6.527 8.360 -4.333 1.00 0.00 C ATOM 384 NZ LYS A 24 7.710 8.428 -5.226 1.00 0.00 N ATOM 0 H LYS A 24 6.667 4.546 -1.492 1.00 0.00 H new ATOM 0 HA LYS A 24 9.385 5.327 -1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.768 6.758 -0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.333 7.545 -0.636 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.688 7.053 -3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.189 6.147 -3.075 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.034 8.307 -2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.543 9.122 -2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.919 7.496 -4.601 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.908 9.244 -4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.397 8.578 -6.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.321 9.217 -4.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.242 7.537 -5.165 1.00 0.00 H new ATOM 398 N LEU A 25 7.680 4.830 1.468 1.00 0.00 N ATOM 399 CA LEU A 25 7.763 4.714 2.910 1.00 0.00 C ATOM 400 C LEU A 25 8.982 3.904 3.326 1.00 0.00 C ATOM 401 O LEU A 25 9.399 2.979 2.626 1.00 0.00 O ATOM 402 CB LEU A 25 6.520 4.027 3.459 1.00 0.00 C ATOM 403 CG LEU A 25 5.183 4.536 2.946 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.084 3.636 3.466 1.00 0.00 C ATOM 405 CD2 LEU A 25 4.940 5.972 3.389 1.00 0.00 C ATOM 0 H LEU A 25 6.815 4.469 1.067 1.00 0.00 H new ATOM 0 HA LEU A 25 7.844 5.723 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.590 2.963 3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.528 4.123 4.545 1.00 0.00 H new ATOM 0 HG LEU A 25 5.190 4.521 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.120 3.992 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.250 2.618 3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.089 3.648 4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.977 6.312 3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.938 6.021 4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.731 6.612 2.998 1.00 0.00 H new ATOM 417 N PRO A 26 9.588 4.272 4.458 1.00 0.00 N ATOM 418 CA PRO A 26 10.604 3.444 5.101 1.00 0.00 C ATOM 419 C PRO A 26 10.032 2.076 5.480 1.00 0.00 C ATOM 420 O PRO A 26 8.816 1.949 5.651 1.00 0.00 O ATOM 421 CB PRO A 26 11.003 4.223 6.359 1.00 0.00 C ATOM 422 CG PRO A 26 10.433 5.601 6.204 1.00 0.00 C ATOM 423 CD PRO A 26 9.345 5.540 5.161 1.00 0.00 C ATOM 0 HA PRO A 26 11.452 3.254 4.443 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.612 3.740 7.255 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.087 4.261 6.464 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.032 5.957 7.153 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.210 6.303 5.903 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.355 5.559 5.617 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.399 6.389 4.480 1.00 0.00 H new ATOM 431 N GLY A 27 10.894 1.068 5.609 1.00 0.00 N ATOM 432 CA GLY A 27 10.438 -0.306 5.823 1.00 0.00 C ATOM 433 C GLY A 27 9.387 -0.440 6.912 1.00 0.00 C ATOM 434 O GLY A 27 8.382 -1.136 6.734 1.00 0.00 O ATOM 0 H GLY A 27 11.908 1.175 5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.032 -0.694 4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.296 -0.928 6.080 1.00 0.00 H new ATOM 438 N GLU A 28 9.613 0.244 8.029 1.00 0.00 N ATOM 439 CA GLU A 28 8.687 0.236 9.160 1.00 0.00 C ATOM 440 C GLU A 28 7.279 0.654 8.734 1.00 0.00 C ATOM 441 O GLU A 28 6.284 0.100 9.201 1.00 0.00 O ATOM 442 CB GLU A 28 9.192 1.196 10.241 1.00 0.00 C ATOM 443 CG GLU A 28 8.324 1.238 11.486 1.00 0.00 C ATOM 444 CD GLU A 28 8.409 -0.036 12.299 1.00 0.00 C ATOM 445 OE1 GLU A 28 9.395 -0.201 13.046 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.488 -0.873 12.203 1.00 0.00 O ATOM 0 H GLU A 28 10.442 0.820 8.177 1.00 0.00 H new ATOM 0 HA GLU A 28 8.639 -0.781 9.549 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.203 0.906 10.526 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.254 2.200 9.820 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.626 2.081 12.107 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.288 1.411 11.196 1.00 0.00 H new ATOM 453 N LYS A 29 7.205 1.616 7.827 1.00 0.00 N ATOM 454 CA LYS A 29 5.935 2.205 7.445 1.00 0.00 C ATOM 455 C LYS A 29 5.170 1.323 6.462 1.00 0.00 C ATOM 456 O LYS A 29 3.943 1.370 6.414 1.00 0.00 O ATOM 457 CB LYS A 29 6.139 3.605 6.864 1.00 0.00 C ATOM 458 CG LYS A 29 6.347 4.723 7.904 1.00 0.00 C ATOM 459 CD LYS A 29 5.659 4.482 9.244 1.00 0.00 C ATOM 460 CE LYS A 29 5.950 5.630 10.195 1.00 0.00 C ATOM 461 NZ LYS A 29 5.858 6.956 9.524 1.00 0.00 N ATOM 0 H LYS A 29 8.013 2.005 7.342 1.00 0.00 H new ATOM 0 HA LYS A 29 5.332 2.286 8.349 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.003 3.583 6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.273 3.857 6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.416 4.846 8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.982 5.661 7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.583 4.385 9.097 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.007 3.544 9.677 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.247 5.597 11.027 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.948 5.506 10.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.641 7.688 10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.765 7.176 9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.104 6.931 8.808 1.00 0.00 H new ATOM 475 N LEU A 30 5.867 0.501 5.692 1.00 0.00 N ATOM 476 CA LEU A 30 5.167 -0.471 4.861 1.00 0.00 C ATOM 477 C LEU A 30 4.594 -1.568 5.748 1.00 0.00 C ATOM 478 O LEU A 30 3.701 -2.307 5.344 1.00 0.00 O ATOM 479 CB LEU A 30 6.053 -1.074 3.770 1.00 0.00 C ATOM 480 CG LEU A 30 6.489 -0.130 2.657 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.936 0.262 2.828 1.00 0.00 C ATOM 482 CD2 LEU A 30 6.278 -0.778 1.298 1.00 0.00 C ATOM 0 H LEU A 30 6.885 0.484 5.624 1.00 0.00 H new ATOM 0 HA LEU A 30 4.364 0.055 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.947 -1.483 4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.519 -1.911 3.319 1.00 0.00 H new ATOM 0 HG LEU A 30 5.877 0.770 2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.228 0.936 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.066 0.764 3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.561 -0.631 2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.595 -0.090 0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.866 -1.694 1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.222 -1.015 1.168 1.00 0.00 H new ATOM 494 N GLY A 31 5.091 -1.641 6.980 1.00 0.00 N ATOM 495 CA GLY A 31 4.534 -2.556 7.957 1.00 0.00 C ATOM 496 C GLY A 31 3.112 -2.181 8.325 1.00 0.00 C ATOM 497 O GLY A 31 2.370 -2.978 8.900 1.00 0.00 O ATOM 0 H GLY A 31 5.873 -1.080 7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.552 -3.570 7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.155 -2.555 8.853 1.00 0.00 H new ATOM 501 N ARG A 32 2.740 -0.957 7.991 1.00 0.00 N ATOM 502 CA ARG A 32 1.377 -0.477 8.197 1.00 0.00 C ATOM 503 C ARG A 32 0.462 -0.927 7.061 1.00 0.00 C ATOM 504 O ARG A 32 -0.594 -1.499 7.310 1.00 0.00 O ATOM 505 CB ARG A 32 1.347 1.047 8.313 1.00 0.00 C ATOM 506 CG ARG A 32 -0.054 1.644 8.161 1.00 0.00 C ATOM 507 CD ARG A 32 -0.681 1.961 9.506 1.00 0.00 C ATOM 508 NE ARG A 32 -2.110 2.252 9.397 1.00 0.00 N ATOM 509 CZ ARG A 32 -3.043 1.699 10.173 1.00 0.00 C ATOM 510 NH1 ARG A 32 -2.697 0.872 11.151 1.00 0.00 N ATOM 511 NH2 ARG A 32 -4.323 1.986 9.982 1.00 0.00 N ATOM 0 H ARG A 32 3.366 -0.270 7.572 1.00 0.00 H new ATOM 0 HA ARG A 32 1.014 -0.907 9.130 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.754 1.338 9.282 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.000 1.474 7.552 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.001 2.553 7.563 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.690 0.944 7.619 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.535 1.117 10.181 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.171 2.816 9.950 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.411 2.918 8.685 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.713 0.656 11.312 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.415 0.452 11.742 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.596 2.631 9.240 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.035 1.562 10.577 1.00 0.00 H new ATOM 525 N VAL A 33 0.860 -0.662 5.816 1.00 0.00 N ATOM 526 CA VAL A 33 0.060 -1.062 4.661 1.00 0.00 C ATOM 527 C VAL A 33 -0.112 -2.568 4.605 1.00 0.00 C ATOM 528 O VAL A 33 -1.201 -3.045 4.302 1.00 0.00 O ATOM 529 CB VAL A 33 0.649 -0.563 3.327 1.00 0.00 C ATOM 530 CG1 VAL A 33 0.295 0.897 3.107 1.00 0.00 C ATOM 531 CG2 VAL A 33 2.148 -0.748 3.293 1.00 0.00 C ATOM 0 H VAL A 33 1.726 -0.175 5.584 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.914 -0.591 4.794 1.00 0.00 H new ATOM 0 HB VAL A 33 0.215 -1.157 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.718 1.235 2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.789 1.009 3.081 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.702 1.497 3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.538 -0.388 2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.603 -0.184 4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.387 -1.806 3.406 1.00 0.00 H new ATOM 541 N VAL A 34 0.944 -3.323 4.913 1.00 0.00 N ATOM 542 CA VAL A 34 0.814 -4.765 4.967 1.00 0.00 C ATOM 543 C VAL A 34 -0.201 -5.137 6.039 1.00 0.00 C ATOM 544 O VAL A 34 -1.052 -5.980 5.819 1.00 0.00 O ATOM 545 CB VAL A 34 2.160 -5.498 5.209 1.00 0.00 C ATOM 546 CG1 VAL A 34 3.208 -5.058 4.203 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.669 -5.300 6.624 1.00 0.00 C ATOM 0 H VAL A 34 1.875 -2.963 5.123 1.00 0.00 H new ATOM 0 HA VAL A 34 0.468 -5.096 3.988 1.00 0.00 H new ATOM 0 HB VAL A 34 1.971 -6.563 5.073 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.142 -5.587 4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.863 -5.286 3.195 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.373 -3.985 4.296 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.613 -5.830 6.749 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.823 -4.237 6.810 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.938 -5.690 7.332 1.00 0.00 H new ATOM 557 N HIS A 35 -0.144 -4.445 7.174 1.00 0.00 N ATOM 558 CA HIS A 35 -1.095 -4.666 8.254 1.00 0.00 C ATOM 559 C HIS A 35 -2.511 -4.326 7.793 1.00 0.00 C ATOM 560 O HIS A 35 -3.439 -5.098 8.021 1.00 0.00 O ATOM 561 CB HIS A 35 -0.705 -3.842 9.488 1.00 0.00 C ATOM 562 CG HIS A 35 -1.720 -3.868 10.594 1.00 0.00 C ATOM 563 ND1 HIS A 35 -1.782 -4.867 11.539 1.00 0.00 N ATOM 564 CD2 HIS A 35 -2.716 -3.003 10.901 1.00 0.00 C ATOM 565 CE1 HIS A 35 -2.771 -4.618 12.377 1.00 0.00 C ATOM 566 NE2 HIS A 35 -3.355 -3.493 12.012 1.00 0.00 N ATOM 0 H HIS A 35 0.553 -3.726 7.367 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.072 -5.720 8.531 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.245 -4.214 9.873 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.543 -2.808 9.184 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.962 -2.095 10.370 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.054 -5.232 13.219 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.151 -3.059 12.479 1.00 0.00 H new ATOM 575 N ILE A 36 -2.669 -3.174 7.140 1.00 0.00 N ATOM 576 CA ILE A 36 -3.965 -2.777 6.603 1.00 0.00 C ATOM 577 C ILE A 36 -4.464 -3.818 5.610 1.00 0.00 C ATOM 578 O ILE A 36 -5.480 -4.464 5.850 1.00 0.00 O ATOM 579 CB ILE A 36 -3.935 -1.393 5.909 1.00 0.00 C ATOM 580 CG1 ILE A 36 -3.628 -0.284 6.908 1.00 0.00 C ATOM 581 CG2 ILE A 36 -5.278 -1.130 5.250 1.00 0.00 C ATOM 582 CD1 ILE A 36 -3.365 1.055 6.253 1.00 0.00 C ATOM 0 H ILE A 36 -1.918 -2.504 6.972 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.641 -2.705 7.455 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.146 -1.401 5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.465 -0.185 7.599 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.758 -0.568 7.500 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.259 -0.156 4.761 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.478 -1.904 4.509 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.063 -1.141 6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.153 1.800 7.020 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.509 0.971 5.583 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.243 1.360 5.683 1.00 0.00 H new ATOM 594 N ILE A 37 -3.731 -3.997 4.515 1.00 0.00 N ATOM 595 CA ILE A 37 -4.106 -4.962 3.490 1.00 0.00 C ATOM 596 C ILE A 37 -4.406 -6.335 4.094 1.00 0.00 C ATOM 597 O ILE A 37 -5.461 -6.897 3.854 1.00 0.00 O ATOM 598 CB ILE A 37 -3.020 -5.104 2.416 1.00 0.00 C ATOM 599 CG1 ILE A 37 -3.053 -3.910 1.476 1.00 0.00 C ATOM 600 CG2 ILE A 37 -3.221 -6.388 1.640 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.716 -3.249 1.298 1.00 0.00 C ATOM 0 H ILE A 37 -2.872 -3.484 4.316 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.011 -4.576 3.021 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.045 -5.138 2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.421 -4.234 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.764 -3.177 1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.445 -6.479 0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.164 -7.237 2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.199 -6.373 1.160 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.815 -2.406 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.354 -2.894 2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.007 -3.967 0.887 1.00 0.00 H new ATOM 613 N GLN A 38 -3.485 -6.854 4.900 1.00 0.00 N ATOM 614 CA GLN A 38 -3.628 -8.188 5.481 1.00 0.00 C ATOM 615 C GLN A 38 -4.891 -8.311 6.333 1.00 0.00 C ATOM 616 O GLN A 38 -5.585 -9.327 6.279 1.00 0.00 O ATOM 617 CB GLN A 38 -2.394 -8.532 6.317 1.00 0.00 C ATOM 618 CG GLN A 38 -1.192 -8.918 5.468 1.00 0.00 C ATOM 619 CD GLN A 38 0.104 -9.026 6.250 1.00 0.00 C ATOM 620 OE1 GLN A 38 1.010 -9.852 5.751 1.00 0.00 O flip ATOM 621 NE2 GLN A 38 0.297 -8.367 7.269 1.00 0.00 N flip ATOM 0 H GLN A 38 -2.628 -6.370 5.167 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.719 -8.896 4.657 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.133 -7.676 6.939 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.636 -9.354 6.991 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.393 -9.874 4.984 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.067 -8.180 4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.430 -7.742 7.618 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.184 -8.445 7.766 1.00 0.00 H new ATOM 630 N SER A 39 -5.186 -7.284 7.119 1.00 0.00 N ATOM 631 CA SER A 39 -6.368 -7.289 7.958 1.00 0.00 C ATOM 632 C SER A 39 -7.639 -7.136 7.120 1.00 0.00 C ATOM 633 O SER A 39 -8.652 -7.790 7.378 1.00 0.00 O ATOM 634 CB SER A 39 -6.277 -6.163 8.992 1.00 0.00 C ATOM 635 OG SER A 39 -6.220 -4.885 8.375 1.00 0.00 O ATOM 0 H SER A 39 -4.620 -6.438 7.190 1.00 0.00 H new ATOM 0 HA SER A 39 -6.419 -8.248 8.474 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.140 -6.208 9.656 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.391 -6.308 9.611 1.00 0.00 H new ATOM 0 HG SER A 39 -5.801 -4.966 7.493 1.00 0.00 H new ATOM 641 N ARG A 40 -7.571 -6.277 6.113 1.00 0.00 N ATOM 642 CA ARG A 40 -8.724 -5.971 5.274 1.00 0.00 C ATOM 643 C ARG A 40 -8.980 -7.089 4.267 1.00 0.00 C ATOM 644 O ARG A 40 -10.125 -7.353 3.894 1.00 0.00 O ATOM 645 CB ARG A 40 -8.502 -4.641 4.544 1.00 0.00 C ATOM 646 CG ARG A 40 -8.228 -3.472 5.482 1.00 0.00 C ATOM 647 CD ARG A 40 -8.958 -2.212 5.058 1.00 0.00 C ATOM 648 NE ARG A 40 -10.408 -2.386 5.063 1.00 0.00 N ATOM 649 CZ ARG A 40 -11.266 -1.460 5.485 1.00 0.00 C ATOM 650 NH1 ARG A 40 -10.823 -0.315 5.988 1.00 0.00 N ATOM 651 NH2 ARG A 40 -12.571 -1.691 5.424 1.00 0.00 N ATOM 0 H ARG A 40 -6.722 -5.775 5.855 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.602 -5.885 5.915 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.664 -4.749 3.856 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.382 -4.415 3.942 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.531 -3.742 6.494 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.156 -3.276 5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.690 -1.396 5.728 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.632 -1.924 4.059 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.786 -3.270 4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.820 -0.141 6.053 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.485 0.391 6.310 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.915 -2.577 5.054 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.230 -0.983 5.747 1.00 0.00 H new ATOM 665 N GLU A 41 -7.909 -7.733 3.830 1.00 0.00 N ATOM 666 CA GLU A 41 -7.984 -8.806 2.848 1.00 0.00 C ATOM 667 C GLU A 41 -7.663 -10.150 3.504 1.00 0.00 C ATOM 668 O GLU A 41 -6.490 -10.515 3.615 1.00 0.00 O ATOM 669 CB GLU A 41 -6.985 -8.544 1.724 1.00 0.00 C ATOM 670 CG GLU A 41 -7.089 -7.149 1.130 1.00 0.00 C ATOM 671 CD GLU A 41 -8.395 -6.926 0.401 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.974 -5.830 0.528 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.866 -7.851 -0.286 1.00 0.00 O ATOM 0 H GLU A 41 -6.961 -7.527 4.146 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.995 -8.839 2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.975 -8.693 2.105 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.139 -9.279 0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.990 -6.411 1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.260 -6.988 0.441 1.00 0.00 H new ATOM 680 N PRO A 42 -8.675 -10.928 3.943 1.00 0.00 N ATOM 681 CA PRO A 42 -8.428 -12.169 4.705 1.00 0.00 C ATOM 682 C PRO A 42 -7.749 -13.293 3.903 1.00 0.00 C ATOM 683 O PRO A 42 -7.550 -14.387 4.427 1.00 0.00 O ATOM 684 CB PRO A 42 -9.831 -12.598 5.162 1.00 0.00 C ATOM 685 CG PRO A 42 -10.760 -11.983 4.175 1.00 0.00 C ATOM 686 CD PRO A 42 -10.139 -10.675 3.770 1.00 0.00 C ATOM 0 HA PRO A 42 -7.726 -11.983 5.518 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.928 -13.684 5.173 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.041 -12.249 6.173 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.895 -12.633 3.311 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.745 -11.826 4.614 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.384 -10.414 2.741 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.483 -9.853 4.398 1.00 0.00 H new ATOM 694 N SER A 43 -7.372 -13.035 2.658 1.00 0.00 N ATOM 695 CA SER A 43 -6.859 -14.087 1.793 1.00 0.00 C ATOM 696 C SER A 43 -5.338 -14.015 1.661 1.00 0.00 C ATOM 697 O SER A 43 -4.741 -14.796 0.924 1.00 0.00 O ATOM 698 CB SER A 43 -7.515 -14.003 0.408 1.00 0.00 C ATOM 699 OG SER A 43 -8.929 -14.071 0.514 1.00 0.00 O ATOM 0 H SER A 43 -7.412 -12.111 2.227 1.00 0.00 H new ATOM 0 HA SER A 43 -7.109 -15.044 2.251 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.227 -13.072 -0.080 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.154 -14.817 -0.220 1.00 0.00 H new ATOM 0 HG SER A 43 -9.327 -14.014 -0.380 1.00 0.00 H new ATOM 705 N LEU A 44 -4.710 -13.083 2.369 1.00 0.00 N ATOM 706 CA LEU A 44 -3.266 -12.907 2.253 1.00 0.00 C ATOM 707 C LEU A 44 -2.597 -12.714 3.611 1.00 0.00 C ATOM 708 O LEU A 44 -1.502 -12.160 3.704 1.00 0.00 O ATOM 709 CB LEU A 44 -2.956 -11.739 1.313 1.00 0.00 C ATOM 710 CG LEU A 44 -3.574 -10.399 1.679 1.00 0.00 C ATOM 711 CD1 LEU A 44 -2.605 -9.584 2.502 1.00 0.00 C ATOM 712 CD2 LEU A 44 -3.975 -9.648 0.422 1.00 0.00 C ATOM 0 H LEU A 44 -5.169 -12.446 3.020 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.851 -13.822 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.874 -11.616 1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.290 -12.008 0.311 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.469 -10.574 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.060 -8.627 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.360 -10.125 3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.695 -9.411 1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.416 -8.690 0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.094 -9.478 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.703 -10.236 -0.137 1.00 0.00 H new ATOM 724 N LYS A 45 -3.222 -13.224 4.663 1.00 0.00 N ATOM 725 CA LYS A 45 -2.687 -13.041 6.009 1.00 0.00 C ATOM 726 C LYS A 45 -1.580 -14.047 6.285 1.00 0.00 C ATOM 727 O LYS A 45 -0.905 -13.982 7.312 1.00 0.00 O ATOM 728 CB LYS A 45 -3.793 -13.139 7.069 1.00 0.00 C ATOM 729 CG LYS A 45 -4.302 -14.548 7.316 1.00 0.00 C ATOM 730 CD LYS A 45 -5.363 -14.549 8.396 1.00 0.00 C ATOM 731 CE LYS A 45 -6.723 -14.171 7.841 1.00 0.00 C ATOM 732 NZ LYS A 45 -7.299 -15.256 6.999 1.00 0.00 N ATOM 0 H LYS A 45 -4.088 -13.761 4.615 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.264 -12.038 6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.417 -12.732 8.008 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.630 -12.512 6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.713 -14.959 6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.474 -15.193 7.611 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.417 -15.537 8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.083 -13.849 9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.403 -13.950 8.664 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.633 -13.260 7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.676 -14.850 6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.558 -15.949 6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.066 -15.728 7.518 1.00 0.00 H new ATOM 746 N ASN A 46 -1.384 -14.962 5.346 1.00 0.00 N ATOM 747 CA ASN A 46 -0.317 -15.948 5.442 1.00 0.00 C ATOM 748 C ASN A 46 1.026 -15.343 5.040 1.00 0.00 C ATOM 749 O ASN A 46 2.072 -15.969 5.206 1.00 0.00 O ATOM 750 CB ASN A 46 -0.627 -17.183 4.562 1.00 0.00 C ATOM 751 CG ASN A 46 -1.306 -16.856 3.235 1.00 0.00 C ATOM 752 OD1 ASN A 46 -1.034 -15.687 2.668 1.00 0.00 O flip ATOM 753 ND2 ASN A 46 -2.081 -17.660 2.720 1.00 0.00 N flip ATOM 0 H ASN A 46 -1.954 -15.042 4.504 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.255 -16.267 6.482 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.304 -17.713 4.359 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -1.265 -17.864 5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.271 -18.551 3.179 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.534 -17.436 1.834 1.00 0.00 H new ATOM 760 N SER A 47 0.990 -14.123 4.514 1.00 0.00 N ATOM 761 CA SER A 47 2.204 -13.441 4.090 1.00 0.00 C ATOM 762 C SER A 47 2.910 -12.821 5.291 1.00 0.00 C ATOM 763 O SER A 47 2.275 -12.231 6.166 1.00 0.00 O ATOM 764 CB SER A 47 1.863 -12.373 3.046 1.00 0.00 C ATOM 765 OG SER A 47 1.210 -12.956 1.929 1.00 0.00 O ATOM 0 H SER A 47 0.133 -13.588 4.372 1.00 0.00 H new ATOM 0 HA SER A 47 2.881 -14.165 3.637 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.222 -11.612 3.492 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.774 -11.871 2.720 1.00 0.00 H new ATOM 0 HG SER A 47 0.998 -12.259 1.273 1.00 0.00 H new ATOM 771 N ASN A 48 4.218 -12.981 5.341 1.00 0.00 N ATOM 772 CA ASN A 48 5.024 -12.409 6.413 1.00 0.00 C ATOM 773 C ASN A 48 5.494 -11.021 5.997 1.00 0.00 C ATOM 774 O ASN A 48 5.875 -10.853 4.850 1.00 0.00 O ATOM 775 CB ASN A 48 6.240 -13.299 6.693 1.00 0.00 C ATOM 776 CG ASN A 48 6.385 -13.661 8.156 1.00 0.00 C ATOM 777 OD1 ASN A 48 5.961 -12.922 9.042 1.00 0.00 O ATOM 778 ND2 ASN A 48 6.989 -14.807 8.420 1.00 0.00 N ATOM 0 H ASN A 48 4.753 -13.506 4.649 1.00 0.00 H new ATOM 0 HA ASN A 48 4.422 -12.341 7.319 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.157 -14.213 6.105 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.143 -12.786 6.360 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.117 -15.105 9.387 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.327 -15.393 7.657 1.00 0.00 H new ATOM 785 N PRO A 49 5.468 -10.007 6.880 1.00 0.00 N ATOM 786 CA PRO A 49 5.776 -8.614 6.483 1.00 0.00 C ATOM 787 C PRO A 49 7.096 -8.475 5.719 1.00 0.00 C ATOM 788 O PRO A 49 7.165 -7.762 4.716 1.00 0.00 O ATOM 789 CB PRO A 49 5.839 -7.871 7.819 1.00 0.00 C ATOM 790 CG PRO A 49 4.989 -8.677 8.744 1.00 0.00 C ATOM 791 CD PRO A 49 5.157 -10.114 8.323 1.00 0.00 C ATOM 0 HA PRO A 49 5.029 -8.222 5.793 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.864 -7.800 8.184 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.463 -6.852 7.723 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.298 -8.536 9.780 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.945 -8.372 8.679 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.960 -10.604 8.873 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.251 -10.694 8.498 1.00 0.00 H new ATOM 799 N ASP A 50 8.116 -9.207 6.153 1.00 0.00 N ATOM 800 CA ASP A 50 9.456 -9.080 5.578 1.00 0.00 C ATOM 801 C ASP A 50 9.517 -9.729 4.203 1.00 0.00 C ATOM 802 O ASP A 50 10.410 -9.446 3.404 1.00 0.00 O ATOM 803 CB ASP A 50 10.509 -9.707 6.501 1.00 0.00 C ATOM 804 CG ASP A 50 10.752 -8.896 7.755 1.00 0.00 C ATOM 805 OD1 ASP A 50 9.929 -8.971 8.692 1.00 0.00 O ATOM 806 OD2 ASP A 50 11.780 -8.193 7.822 1.00 0.00 O ATOM 0 H ASP A 50 8.043 -9.896 6.902 1.00 0.00 H new ATOM 0 HA ASP A 50 9.674 -8.017 5.473 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.188 -10.711 6.780 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.447 -9.812 5.955 1.00 0.00 H new ATOM 811 N GLU A 51 8.551 -10.591 3.934 1.00 0.00 N ATOM 812 CA GLU A 51 8.466 -11.288 2.663 1.00 0.00 C ATOM 813 C GLU A 51 7.097 -11.055 2.048 1.00 0.00 C ATOM 814 O GLU A 51 6.585 -11.888 1.299 1.00 0.00 O ATOM 815 CB GLU A 51 8.714 -12.794 2.826 1.00 0.00 C ATOM 816 CG GLU A 51 10.174 -13.188 3.001 1.00 0.00 C ATOM 817 CD GLU A 51 10.730 -12.861 4.372 1.00 0.00 C ATOM 818 OE1 GLU A 51 11.645 -12.016 4.460 1.00 0.00 O ATOM 819 OE2 GLU A 51 10.262 -13.461 5.367 1.00 0.00 O ATOM 0 H GLU A 51 7.806 -10.827 4.589 1.00 0.00 H new ATOM 0 HA GLU A 51 9.241 -10.892 2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.151 -13.149 3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.316 -13.310 1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.277 -14.258 2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.772 -12.680 2.245 1.00 0.00 H new ATOM 826 N ILE A 52 6.508 -9.919 2.387 1.00 0.00 N ATOM 827 CA ILE A 52 5.154 -9.597 1.970 1.00 0.00 C ATOM 828 C ILE A 52 5.059 -9.494 0.450 1.00 0.00 C ATOM 829 O ILE A 52 6.005 -9.077 -0.225 1.00 0.00 O ATOM 830 CB ILE A 52 4.678 -8.266 2.599 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.188 -8.041 2.363 1.00 0.00 C ATOM 832 CG2 ILE A 52 5.433 -7.127 1.975 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.293 -9.160 2.828 1.00 0.00 C ATOM 0 H ILE A 52 6.953 -9.198 2.956 1.00 0.00 H new ATOM 0 HA ILE A 52 4.510 -10.406 2.316 1.00 0.00 H new ATOM 0 HB ILE A 52 4.861 -8.316 3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.890 -7.123 2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.024 -7.884 1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.101 -6.186 2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.500 -7.256 2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.246 -7.111 0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.254 -8.907 2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.556 -10.078 2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.420 -9.306 3.901 1.00 0.00 H new ATOM 845 N GLU A 53 3.929 -9.906 -0.083 1.00 0.00 N ATOM 846 CA GLU A 53 3.648 -9.732 -1.485 1.00 0.00 C ATOM 847 C GLU A 53 2.189 -9.326 -1.642 1.00 0.00 C ATOM 848 O GLU A 53 1.295 -10.168 -1.616 1.00 0.00 O ATOM 849 CB GLU A 53 3.944 -11.031 -2.225 1.00 0.00 C ATOM 850 CG GLU A 53 4.256 -10.843 -3.690 1.00 0.00 C ATOM 851 CD GLU A 53 4.653 -12.140 -4.355 1.00 0.00 C ATOM 852 OE1 GLU A 53 5.694 -12.710 -3.967 1.00 0.00 O ATOM 853 OE2 GLU A 53 3.939 -12.588 -5.273 1.00 0.00 O ATOM 0 H GLU A 53 3.186 -10.367 0.442 1.00 0.00 H new ATOM 0 HA GLU A 53 4.277 -8.950 -1.911 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.787 -11.527 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.086 -11.696 -2.129 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.384 -10.428 -4.196 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.063 -10.118 -3.799 1.00 0.00 H new ATOM 860 N ILE A 54 1.956 -8.030 -1.783 1.00 0.00 N ATOM 861 CA ILE A 54 0.604 -7.497 -1.839 1.00 0.00 C ATOM 862 C ILE A 54 0.152 -7.384 -3.283 1.00 0.00 C ATOM 863 O ILE A 54 0.886 -6.896 -4.135 1.00 0.00 O ATOM 864 CB ILE A 54 0.503 -6.103 -1.172 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.978 -6.173 0.282 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.933 -5.588 -1.243 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.199 -4.819 0.920 1.00 0.00 C ATOM 0 H ILE A 54 2.689 -7.325 -1.861 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.039 -8.187 -1.292 1.00 0.00 H new ATOM 0 HB ILE A 54 1.147 -5.409 -1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.243 -6.724 0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.908 -6.740 0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.992 -4.607 -0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.240 -5.508 -2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.594 -6.281 -0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.534 -4.952 1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.957 -4.272 0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.265 -4.257 0.912 1.00 0.00 H new ATOM 879 N ASP A 55 -1.053 -7.841 -3.554 1.00 0.00 N ATOM 880 CA ASP A 55 -1.603 -7.746 -4.893 1.00 0.00 C ATOM 881 C ASP A 55 -2.608 -6.607 -4.946 1.00 0.00 C ATOM 882 O ASP A 55 -3.748 -6.741 -4.481 1.00 0.00 O ATOM 883 CB ASP A 55 -2.277 -9.054 -5.304 1.00 0.00 C ATOM 884 CG ASP A 55 -2.493 -9.143 -6.797 1.00 0.00 C ATOM 885 OD1 ASP A 55 -1.805 -9.960 -7.452 1.00 0.00 O ATOM 886 OD2 ASP A 55 -3.344 -8.401 -7.324 1.00 0.00 O ATOM 0 H ASP A 55 -1.669 -8.280 -2.870 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.788 -7.552 -5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.665 -9.894 -4.977 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.237 -9.142 -4.794 1.00 0.00 H new ATOM 891 N PHE A 56 -2.187 -5.486 -5.515 1.00 0.00 N ATOM 892 CA PHE A 56 -3.006 -4.280 -5.531 1.00 0.00 C ATOM 893 C PHE A 56 -4.279 -4.479 -6.343 1.00 0.00 C ATOM 894 O PHE A 56 -5.215 -3.683 -6.264 1.00 0.00 O ATOM 895 CB PHE A 56 -2.218 -3.098 -6.092 1.00 0.00 C ATOM 896 CG PHE A 56 -2.457 -1.854 -5.300 1.00 0.00 C ATOM 897 CD1 PHE A 56 -1.947 -1.751 -4.032 1.00 0.00 C ATOM 898 CD2 PHE A 56 -3.209 -0.808 -5.796 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.173 -0.639 -3.275 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.436 0.320 -5.026 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.911 0.386 -3.765 1.00 0.00 C ATOM 0 H PHE A 56 -1.281 -5.386 -5.973 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.286 -4.067 -4.500 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.154 -3.334 -6.088 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.503 -2.930 -7.130 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.358 -2.561 -3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.623 -0.870 -6.792 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.761 -0.575 -2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.021 1.139 -5.417 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.086 1.261 -3.156 1.00 0.00 H new ATOM 911 N GLU A 57 -4.315 -5.552 -7.108 1.00 0.00 N ATOM 912 CA GLU A 57 -5.440 -5.833 -7.969 1.00 0.00 C ATOM 913 C GLU A 57 -6.460 -6.723 -7.276 1.00 0.00 C ATOM 914 O GLU A 57 -7.558 -6.937 -7.788 1.00 0.00 O ATOM 915 CB GLU A 57 -4.942 -6.481 -9.255 1.00 0.00 C ATOM 916 CG GLU A 57 -4.073 -5.560 -10.088 1.00 0.00 C ATOM 917 CD GLU A 57 -4.856 -4.426 -10.715 1.00 0.00 C ATOM 918 OE1 GLU A 57 -5.320 -3.530 -9.982 1.00 0.00 O ATOM 919 OE2 GLU A 57 -5.008 -4.419 -11.952 1.00 0.00 O ATOM 0 H GLU A 57 -3.570 -6.247 -7.149 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.940 -4.895 -8.208 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.376 -7.379 -9.007 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.798 -6.799 -9.850 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.283 -5.147 -9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.587 -6.138 -10.874 1.00 0.00 H new ATOM 926 N THR A 58 -6.104 -7.227 -6.109 1.00 0.00 N ATOM 927 CA THR A 58 -6.994 -8.102 -5.369 1.00 0.00 C ATOM 928 C THR A 58 -7.594 -7.380 -4.177 1.00 0.00 C ATOM 929 O THR A 58 -8.590 -7.823 -3.609 1.00 0.00 O ATOM 930 CB THR A 58 -6.257 -9.364 -4.896 1.00 0.00 C ATOM 931 OG1 THR A 58 -5.162 -9.016 -4.039 1.00 0.00 O ATOM 932 CG2 THR A 58 -5.738 -10.138 -6.088 1.00 0.00 C ATOM 0 H THR A 58 -5.209 -7.047 -5.655 1.00 0.00 H new ATOM 0 HA THR A 58 -7.799 -8.399 -6.042 1.00 0.00 H new ATOM 0 HB THR A 58 -6.960 -9.983 -4.338 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.827 -8.127 -4.281 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.217 -11.031 -5.743 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.573 -10.429 -6.725 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.049 -9.513 -6.656 1.00 0.00 H new ATOM 940 N LEU A 59 -6.982 -6.264 -3.807 1.00 0.00 N ATOM 941 CA LEU A 59 -7.452 -5.473 -2.674 1.00 0.00 C ATOM 942 C LEU A 59 -8.806 -4.853 -2.981 1.00 0.00 C ATOM 943 O LEU A 59 -9.068 -4.442 -4.114 1.00 0.00 O ATOM 944 CB LEU A 59 -6.458 -4.363 -2.341 1.00 0.00 C ATOM 945 CG LEU A 59 -4.997 -4.800 -2.287 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.092 -3.616 -2.007 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.809 -5.861 -1.227 1.00 0.00 C ATOM 0 H LEU A 59 -6.158 -5.884 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.545 -6.141 -1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.558 -3.572 -3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.728 -3.931 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.727 -5.217 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.055 -3.951 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.208 -2.874 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.361 -3.171 -1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.763 -6.165 -1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.098 -5.460 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.431 -6.725 -1.462 1.00 0.00 H new ATOM 959 N LYS A 60 -9.668 -4.810 -1.980 1.00 0.00 N ATOM 960 CA LYS A 60 -10.947 -4.149 -2.109 1.00 0.00 C ATOM 961 C LYS A 60 -10.753 -2.629 -1.993 1.00 0.00 C ATOM 962 O LYS A 60 -9.881 -2.184 -1.243 1.00 0.00 O ATOM 963 CB LYS A 60 -11.902 -4.691 -1.038 1.00 0.00 C ATOM 964 CG LYS A 60 -11.582 -4.245 0.374 1.00 0.00 C ATOM 965 CD LYS A 60 -12.582 -4.806 1.372 1.00 0.00 C ATOM 966 CE LYS A 60 -12.663 -6.339 1.306 1.00 0.00 C ATOM 967 NZ LYS A 60 -11.334 -6.985 1.481 1.00 0.00 N ATOM 0 H LYS A 60 -9.500 -5.229 -1.065 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.387 -4.351 -3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.917 -4.378 -1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.887 -5.780 -1.074 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.577 -4.571 0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.588 -3.156 0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.299 -4.501 2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.567 -4.382 1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.343 -6.698 2.079 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.085 -6.637 0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.276 -7.830 0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.585 -6.316 1.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.211 -7.262 2.476 1.00 0.00 H new ATOM 981 N PRO A 61 -11.511 -1.823 -2.783 1.00 0.00 N ATOM 982 CA PRO A 61 -11.407 -0.356 -2.806 1.00 0.00 C ATOM 983 C PRO A 61 -11.071 0.287 -1.459 1.00 0.00 C ATOM 984 O PRO A 61 -10.172 1.128 -1.380 1.00 0.00 O ATOM 985 CB PRO A 61 -12.799 0.073 -3.247 1.00 0.00 C ATOM 986 CG PRO A 61 -13.305 -1.035 -4.105 1.00 0.00 C ATOM 987 CD PRO A 61 -12.511 -2.280 -3.768 1.00 0.00 C ATOM 0 HA PRO A 61 -10.589 -0.041 -3.454 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.451 0.233 -2.388 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.763 1.012 -3.799 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.368 -1.200 -3.928 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.192 -0.784 -5.160 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.151 -3.059 -3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.033 -2.699 -4.654 1.00 0.00 H new ATOM 995 N SER A 62 -11.789 -0.109 -0.412 1.00 0.00 N ATOM 996 CA SER A 62 -11.604 0.478 0.913 1.00 0.00 C ATOM 997 C SER A 62 -10.161 0.344 1.392 1.00 0.00 C ATOM 998 O SER A 62 -9.594 1.291 1.933 1.00 0.00 O ATOM 999 CB SER A 62 -12.567 -0.157 1.919 1.00 0.00 C ATOM 1000 OG SER A 62 -12.520 -1.570 1.849 1.00 0.00 O ATOM 0 H SER A 62 -12.505 -0.834 -0.455 1.00 0.00 H new ATOM 0 HA SER A 62 -11.827 1.542 0.837 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.311 0.169 2.927 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.582 0.186 1.721 1.00 0.00 H new ATOM 0 HG SER A 62 -13.143 -1.951 2.503 1.00 0.00 H new ATOM 1006 N THR A 63 -9.561 -0.821 1.169 1.00 0.00 N ATOM 1007 CA THR A 63 -8.175 -1.043 1.555 1.00 0.00 C ATOM 1008 C THR A 63 -7.272 -0.105 0.777 1.00 0.00 C ATOM 1009 O THR A 63 -6.503 0.641 1.364 1.00 0.00 O ATOM 1010 CB THR A 63 -7.739 -2.505 1.310 1.00 0.00 C ATOM 1011 OG1 THR A 63 -8.811 -3.391 1.649 1.00 0.00 O ATOM 1012 CG2 THR A 63 -6.517 -2.858 2.139 1.00 0.00 C ATOM 0 H THR A 63 -10.011 -1.621 0.725 1.00 0.00 H new ATOM 0 HA THR A 63 -8.090 -0.843 2.623 1.00 0.00 H new ATOM 0 HB THR A 63 -7.486 -2.611 0.255 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.574 -4.306 1.390 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.233 -3.893 1.946 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.692 -2.199 1.870 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.748 -2.736 3.197 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.426 -0.108 -0.545 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.603 0.714 -1.434 1.00 0.00 C ATOM 1022 C LEU A 64 -6.688 2.184 -1.055 1.00 0.00 C ATOM 1023 O LEU A 64 -5.703 2.913 -1.114 1.00 0.00 O ATOM 1024 CB LEU A 64 -7.063 0.523 -2.883 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.140 -0.924 -3.328 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -8.311 -1.101 -4.249 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.874 -1.332 -4.034 1.00 0.00 C ATOM 0 H LEU A 64 -8.120 -0.676 -1.030 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.565 0.397 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.045 0.981 -3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.379 1.058 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.264 -1.555 -2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.368 -2.141 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.229 -0.832 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.188 -0.459 -5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.950 -2.374 -4.345 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.727 -0.701 -4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.027 -1.216 -3.358 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.867 2.611 -0.652 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.068 3.997 -0.272 1.00 0.00 C ATOM 1041 C ARG A 65 -7.526 4.277 1.127 1.00 0.00 C ATOM 1042 O ARG A 65 -7.172 5.417 1.440 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.543 4.366 -0.370 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.074 4.334 -1.797 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.224 5.187 -2.727 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.955 5.572 -3.932 1.00 0.00 N ATOM 1047 CZ ARG A 65 -9.705 6.672 -4.643 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -8.781 7.540 -4.243 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -10.399 6.913 -5.747 1.00 0.00 N ATOM 0 H ARG A 65 -8.697 2.023 -0.579 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.508 4.621 -0.968 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.125 3.678 0.243 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.690 5.364 0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.090 3.305 -2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.103 4.693 -1.812 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.896 6.083 -2.200 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.327 4.635 -3.007 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.706 4.959 -4.250 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.256 7.367 -3.386 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.597 8.379 -4.794 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.120 6.258 -6.049 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.211 7.753 -6.294 1.00 0.00 H new ATOM 1063 N GLU A 66 -7.439 3.241 1.956 1.00 0.00 N ATOM 1064 CA GLU A 66 -6.852 3.381 3.280 1.00 0.00 C ATOM 1065 C GLU A 66 -5.346 3.445 3.170 1.00 0.00 C ATOM 1066 O GLU A 66 -4.696 4.244 3.842 1.00 0.00 O ATOM 1067 CB GLU A 66 -7.257 2.213 4.172 1.00 0.00 C ATOM 1068 CG GLU A 66 -8.632 2.383 4.786 1.00 0.00 C ATOM 1069 CD GLU A 66 -8.652 3.479 5.828 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -8.658 4.669 5.455 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -8.649 3.157 7.034 1.00 0.00 O ATOM 0 H GLU A 66 -7.766 2.301 1.734 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.220 4.304 3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.238 1.293 3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.521 2.100 4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.354 2.614 4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.945 1.443 5.241 1.00 0.00 H new ATOM 1078 N LEU A 67 -4.808 2.588 2.314 1.00 0.00 N ATOM 1079 CA LEU A 67 -3.385 2.565 2.025 1.00 0.00 C ATOM 1080 C LEU A 67 -2.921 3.955 1.573 1.00 0.00 C ATOM 1081 O LEU A 67 -1.871 4.451 1.982 1.00 0.00 O ATOM 1082 CB LEU A 67 -3.122 1.551 0.912 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.801 0.214 1.117 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.472 -0.740 -0.008 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -3.421 -0.361 2.466 1.00 0.00 C ATOM 0 H LEU A 67 -5.347 1.890 1.801 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.835 2.283 2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.456 1.974 -0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.047 1.391 0.828 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.881 0.364 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.973 -1.693 0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.811 -0.318 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.394 -0.899 -0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.915 -1.323 2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.341 -0.498 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.734 0.324 3.254 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.750 4.571 0.730 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.472 5.869 0.129 1.00 0.00 C ATOM 1099 C GLU A 68 -3.459 7.001 1.148 1.00 0.00 C ATOM 1100 O GLU A 68 -2.428 7.640 1.366 1.00 0.00 O ATOM 1101 CB GLU A 68 -4.526 6.165 -0.925 1.00 0.00 C ATOM 1102 CG GLU A 68 -4.284 7.445 -1.675 1.00 0.00 C ATOM 1103 CD GLU A 68 -5.262 8.546 -1.317 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -4.842 9.554 -0.718 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -6.462 8.407 -1.644 1.00 0.00 O ATOM 0 H GLU A 68 -4.645 4.174 0.444 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.477 5.815 -0.312 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.560 5.339 -1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.504 6.214 -0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.270 7.790 -1.473 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.346 7.248 -2.745 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.627 7.253 1.745 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.787 8.277 2.785 1.00 0.00 C ATOM 1114 C ARG A 69 -3.721 8.115 3.851 1.00 0.00 C ATOM 1115 O ARG A 69 -3.301 9.076 4.498 1.00 0.00 O ATOM 1116 CB ARG A 69 -6.177 8.160 3.403 1.00 0.00 C ATOM 1117 CG ARG A 69 -6.404 9.137 4.524 1.00 0.00 C ATOM 1118 CD ARG A 69 -7.554 8.706 5.416 1.00 0.00 C ATOM 1119 NE ARG A 69 -7.423 7.331 5.908 1.00 0.00 N ATOM 1120 CZ ARG A 69 -7.035 7.009 7.141 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -6.613 7.945 7.984 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -7.064 5.743 7.526 1.00 0.00 N ATOM 0 H ARG A 69 -5.489 6.754 1.522 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.676 9.264 2.337 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.928 8.322 2.629 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.318 7.146 3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.495 9.227 5.119 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.613 10.124 4.111 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.619 9.384 6.267 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.488 8.799 4.863 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.643 6.571 5.264 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.584 8.921 7.689 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.318 7.688 8.926 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.382 5.021 6.880 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.768 5.490 8.469 1.00 0.00 H new ATOM 1136 N TYR A 70 -3.259 6.898 3.991 1.00 0.00 N ATOM 1137 CA TYR A 70 -2.231 6.596 4.952 1.00 0.00 C ATOM 1138 C TYR A 70 -0.869 7.122 4.494 1.00 0.00 C ATOM 1139 O TYR A 70 -0.249 7.924 5.186 1.00 0.00 O ATOM 1140 CB TYR A 70 -2.146 5.094 5.192 1.00 0.00 C ATOM 1141 CG TYR A 70 -0.822 4.695 5.728 1.00 0.00 C ATOM 1142 CD1 TYR A 70 -0.003 3.885 4.985 1.00 0.00 C ATOM 1143 CD2 TYR A 70 -0.366 5.180 6.944 1.00 0.00 C ATOM 1144 CE1 TYR A 70 1.238 3.558 5.427 1.00 0.00 C ATOM 1145 CE2 TYR A 70 0.880 4.851 7.407 1.00 0.00 C ATOM 1146 CZ TYR A 70 1.686 4.041 6.644 1.00 0.00 C ATOM 1147 OH TYR A 70 2.938 3.721 7.098 1.00 0.00 O ATOM 0 H TYR A 70 -3.581 6.097 3.448 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.498 7.094 5.884 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.927 4.793 5.891 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.334 4.566 4.257 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.349 3.502 4.036 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -1.001 5.825 7.533 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.875 2.922 4.830 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.225 5.224 8.360 1.00 0.00 H new ATOM 0 HH TYR A 70 3.310 2.999 6.549 1.00 0.00 H new ATOM 1157 N VAL A 71 -0.393 6.665 3.346 1.00 0.00 N ATOM 1158 CA VAL A 71 0.943 7.030 2.899 1.00 0.00 C ATOM 1159 C VAL A 71 1.036 8.500 2.599 1.00 0.00 C ATOM 1160 O VAL A 71 2.041 9.128 2.896 1.00 0.00 O ATOM 1161 CB VAL A 71 1.394 6.237 1.671 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.395 4.773 1.996 1.00 0.00 C ATOM 1163 CG2 VAL A 71 0.500 6.483 0.471 1.00 0.00 C ATOM 0 H VAL A 71 -0.904 6.049 2.714 1.00 0.00 H new ATOM 0 HA VAL A 71 1.610 6.782 3.725 1.00 0.00 H new ATOM 0 HB VAL A 71 2.398 6.573 1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.716 4.206 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.080 4.584 2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.389 4.463 2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.859 5.899 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.521 6.185 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.518 7.542 0.215 1.00 0.00 H new ATOM 1173 N THR A 72 -0.019 9.062 2.043 1.00 0.00 N ATOM 1174 CA THR A 72 -0.025 10.470 1.753 1.00 0.00 C ATOM 1175 C THR A 72 0.061 11.253 3.067 1.00 0.00 C ATOM 1176 O THR A 72 0.559 12.368 3.099 1.00 0.00 O ATOM 1177 CB THR A 72 -1.271 10.880 0.928 1.00 0.00 C ATOM 1178 OG1 THR A 72 -1.056 12.151 0.298 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.513 10.954 1.797 1.00 0.00 C ATOM 0 H THR A 72 -0.873 8.565 1.787 1.00 0.00 H new ATOM 0 HA THR A 72 0.843 10.708 1.138 1.00 0.00 H new ATOM 0 HB THR A 72 -1.426 10.115 0.167 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.850 12.397 -0.221 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.368 11.244 1.186 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.702 9.979 2.245 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.363 11.692 2.585 1.00 0.00 H new ATOM 1187 N SER A 73 -0.364 10.634 4.170 1.00 0.00 N ATOM 1188 CA SER A 73 -0.264 11.273 5.470 1.00 0.00 C ATOM 1189 C SER A 73 1.193 11.260 5.943 1.00 0.00 C ATOM 1190 O SER A 73 1.641 12.157 6.659 1.00 0.00 O ATOM 1191 CB SER A 73 -1.174 10.568 6.484 1.00 0.00 C ATOM 1192 OG SER A 73 -0.501 9.523 7.167 1.00 0.00 O ATOM 0 H SER A 73 -0.776 9.701 4.183 1.00 0.00 H new ATOM 0 HA SER A 73 -0.594 12.309 5.385 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.542 11.295 7.207 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.045 10.162 5.969 1.00 0.00 H new ATOM 0 HG SER A 73 -0.146 8.882 6.516 1.00 0.00 H new ATOM 1198 N CYS A 74 1.933 10.242 5.509 1.00 0.00 N ATOM 1199 CA CYS A 74 3.324 10.072 5.896 1.00 0.00 C ATOM 1200 C CYS A 74 4.246 10.859 4.968 1.00 0.00 C ATOM 1201 O CYS A 74 5.233 11.452 5.403 1.00 0.00 O ATOM 1202 CB CYS A 74 3.682 8.586 5.861 1.00 0.00 C ATOM 1203 SG CYS A 74 5.346 8.204 6.458 1.00 0.00 S ATOM 0 H CYS A 74 1.584 9.517 4.882 1.00 0.00 H new ATOM 0 HA CYS A 74 3.458 10.455 6.908 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.958 8.036 6.463 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.585 8.225 4.837 1.00 0.00 H new ATOM 0 HG CYS A 74 6.101 9.256 6.341 1.00 0.00 H new ATOM 1209 N LEU A 75 3.913 10.843 3.690 1.00 0.00 N ATOM 1210 CA LEU A 75 4.712 11.505 2.662 1.00 0.00 C ATOM 1211 C LEU A 75 4.481 13.017 2.636 1.00 0.00 C ATOM 1212 O LEU A 75 5.433 13.786 2.505 1.00 0.00 O ATOM 1213 CB LEU A 75 4.393 10.881 1.303 1.00 0.00 C ATOM 1214 CG LEU A 75 4.451 9.358 1.303 1.00 0.00 C ATOM 1215 CD1 LEU A 75 3.878 8.798 0.009 1.00 0.00 C ATOM 1216 CD2 LEU A 75 5.872 8.869 1.520 1.00 0.00 C ATOM 0 H LEU A 75 3.082 10.372 3.331 1.00 0.00 H new ATOM 0 HA LEU A 75 5.766 11.357 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.398 11.198 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.096 11.263 0.563 1.00 0.00 H new ATOM 0 HG LEU A 75 3.841 8.996 2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.929 7.709 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.839 9.111 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.455 9.172 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.886 7.779 1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.512 9.243 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.240 9.233 2.479 1.00 0.00 H new ATOM 1228 N ARG A 76 3.223 13.452 2.753 1.00 0.00 N ATOM 1229 CA ARG A 76 2.928 14.879 2.780 1.00 0.00 C ATOM 1230 C ARG A 76 3.535 15.524 4.020 1.00 0.00 C ATOM 1231 O ARG A 76 4.184 16.568 3.938 1.00 0.00 O ATOM 1232 CB ARG A 76 1.423 15.160 2.740 1.00 0.00 C ATOM 1233 CG ARG A 76 0.737 14.730 1.452 1.00 0.00 C ATOM 1234 CD ARG A 76 -0.659 15.315 1.344 1.00 0.00 C ATOM 1235 NE ARG A 76 -0.652 16.777 1.311 1.00 0.00 N ATOM 1236 CZ ARG A 76 -1.710 17.515 0.978 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -2.859 16.929 0.666 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -1.623 18.837 0.966 1.00 0.00 N ATOM 0 H ARG A 76 2.407 12.844 2.829 1.00 0.00 H new ATOM 0 HA ARG A 76 3.373 15.313 1.884 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.948 14.650 3.578 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.261 16.228 2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.333 15.048 0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.681 13.642 1.414 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.139 14.937 0.442 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.258 14.977 2.190 1.00 0.00 H new ATOM 0 HE ARG A 76 0.212 17.259 1.557 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.933 15.912 0.681 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.668 17.496 0.411 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.744 19.293 1.212 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.435 19.399 0.711 1.00 0.00 H new ATOM 1252 N LYS A 77 3.327 14.892 5.166 1.00 0.00 N ATOM 1253 CA LYS A 77 3.898 15.377 6.417 1.00 0.00 C ATOM 1254 C LYS A 77 5.050 14.480 6.854 1.00 0.00 C ATOM 1255 O LYS A 77 4.895 13.640 7.745 1.00 0.00 O ATOM 1256 CB LYS A 77 2.820 15.444 7.506 1.00 0.00 C ATOM 1257 CG LYS A 77 1.825 16.582 7.298 1.00 0.00 C ATOM 1258 CD LYS A 77 0.502 16.337 8.020 1.00 0.00 C ATOM 1259 CE LYS A 77 0.545 16.720 9.498 1.00 0.00 C ATOM 1260 NZ LYS A 77 -0.604 16.137 10.243 1.00 0.00 N ATOM 0 H LYS A 77 2.768 14.044 5.257 1.00 0.00 H new ATOM 0 HA LYS A 77 4.286 16.383 6.258 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.280 14.498 7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.301 15.563 8.477 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.263 17.514 7.655 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.636 16.706 6.232 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.285 16.907 7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.237 15.284 7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.480 16.373 9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.530 17.806 9.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.546 16.415 11.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.495 16.488 9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.575 15.100 10.170 1.00 0.00 H new ATOM 1274 N LYS A 78 6.207 14.667 6.228 1.00 0.00 N ATOM 1275 CA LYS A 78 7.351 13.799 6.463 1.00 0.00 C ATOM 1276 C LYS A 78 8.201 14.297 7.626 1.00 0.00 C ATOM 1277 O LYS A 78 8.042 13.844 8.761 1.00 0.00 O ATOM 1278 CB LYS A 78 8.206 13.682 5.192 1.00 0.00 C ATOM 1279 CG LYS A 78 9.466 12.850 5.371 1.00 0.00 C ATOM 1280 CD LYS A 78 9.156 11.404 5.716 1.00 0.00 C ATOM 1281 CE LYS A 78 10.432 10.591 5.867 1.00 0.00 C ATOM 1282 NZ LYS A 78 10.159 9.199 6.311 1.00 0.00 N ATOM 0 H LYS A 78 6.376 15.413 5.554 1.00 0.00 H new ATOM 0 HA LYS A 78 6.969 12.813 6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.602 13.242 4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.487 14.682 4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.055 12.885 4.455 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.078 13.287 6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.583 11.363 6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.533 10.967 4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.963 10.570 4.915 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.089 11.079 6.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.056 8.681 6.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.676 9.217 7.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.554 8.724 5.611 1.00 0.00 H new ATOM 1296 N ARG A 79 9.076 15.247 7.333 1.00 0.00 N ATOM 1297 CA ARG A 79 10.037 15.756 8.297 1.00 0.00 C ATOM 1298 C ARG A 79 10.900 16.817 7.637 1.00 0.00 C ATOM 1299 O ARG A 79 11.833 16.503 6.901 1.00 0.00 O ATOM 1300 CB ARG A 79 10.914 14.623 8.846 1.00 0.00 C ATOM 1301 CG ARG A 79 12.050 15.091 9.752 1.00 0.00 C ATOM 1302 CD ARG A 79 11.543 15.942 10.908 1.00 0.00 C ATOM 1303 NE ARG A 79 12.638 16.456 11.732 1.00 0.00 N ATOM 1304 CZ ARG A 79 12.631 17.651 12.322 1.00 0.00 C ATOM 1305 NH1 ARG A 79 11.604 18.473 12.154 1.00 0.00 N ATOM 1306 NH2 ARG A 79 13.654 18.022 13.082 1.00 0.00 N ATOM 0 H ARG A 79 9.139 15.688 6.415 1.00 0.00 H new ATOM 0 HA ARG A 79 9.496 16.197 9.134 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.284 13.928 9.402 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.338 14.069 8.008 1.00 0.00 H new ATOM 0 HG2 ARG A 79 12.581 14.224 10.145 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.768 15.665 9.166 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.962 16.777 10.516 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.871 15.348 11.528 1.00 0.00 H new ATOM 0 HE ARG A 79 13.457 15.863 11.863 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.815 18.192 11.571 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.603 19.387 12.607 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.446 17.393 13.214 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.649 18.937 13.534 1.00 0.00 H new ATOM 1320 N LYS A 80 10.559 18.064 7.875 1.00 0.00 N ATOM 1321 CA LYS A 80 11.322 19.177 7.338 1.00 0.00 C ATOM 1322 C LYS A 80 12.136 19.857 8.440 1.00 0.00 C ATOM 1323 O LYS A 80 11.605 20.646 9.229 1.00 0.00 O ATOM 1324 CB LYS A 80 10.392 20.177 6.639 1.00 0.00 C ATOM 1325 CG LYS A 80 9.191 20.601 7.471 1.00 0.00 C ATOM 1326 CD LYS A 80 8.278 21.543 6.702 1.00 0.00 C ATOM 1327 CE LYS A 80 7.636 20.863 5.498 1.00 0.00 C ATOM 1328 NZ LYS A 80 6.709 19.771 5.900 1.00 0.00 N ATOM 0 H LYS A 80 9.755 18.337 8.440 1.00 0.00 H new ATOM 0 HA LYS A 80 12.022 18.791 6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.966 21.064 6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.037 19.736 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.629 19.718 7.776 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.534 21.090 8.382 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.498 21.914 7.367 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.850 22.408 6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.091 21.603 4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.415 20.457 4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.170 19.451 5.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.256 18.975 6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.052 20.123 6.625 1.00 0.00 H new ATOM 1342 N PRO A 81 13.432 19.520 8.539 1.00 0.00 N ATOM 1343 CA PRO A 81 14.345 20.166 9.483 1.00 0.00 C ATOM 1344 C PRO A 81 14.576 21.626 9.116 1.00 0.00 C ATOM 1345 O PRO A 81 15.393 21.937 8.247 1.00 0.00 O ATOM 1346 CB PRO A 81 15.651 19.371 9.347 1.00 0.00 C ATOM 1347 CG PRO A 81 15.282 18.120 8.624 1.00 0.00 C ATOM 1348 CD PRO A 81 14.110 18.474 7.758 1.00 0.00 C ATOM 0 HA PRO A 81 13.950 20.167 10.499 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.400 19.938 8.794 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.078 19.148 10.325 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.115 17.756 8.023 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.024 17.326 9.325 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.425 18.839 6.781 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.462 17.615 7.584 1.00 0.00 H new ATOM 1356 N GLN A 82 13.849 22.518 9.770 1.00 0.00 N ATOM 1357 CA GLN A 82 13.936 23.942 9.475 1.00 0.00 C ATOM 1358 C GLN A 82 15.145 24.567 10.158 1.00 0.00 C ATOM 1359 O GLN A 82 15.015 25.444 11.011 1.00 0.00 O ATOM 1360 CB GLN A 82 12.652 24.654 9.899 1.00 0.00 C ATOM 1361 CG GLN A 82 11.418 24.165 9.159 1.00 0.00 C ATOM 1362 CD GLN A 82 11.548 24.307 7.656 1.00 0.00 C ATOM 1363 OE1 GLN A 82 12.016 23.401 6.968 1.00 0.00 O ATOM 1364 NE2 GLN A 82 11.152 25.455 7.136 1.00 0.00 N ATOM 0 H GLN A 82 13.190 22.281 10.511 1.00 0.00 H new ATOM 0 HA GLN A 82 14.059 24.059 8.398 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.504 24.513 10.970 1.00 0.00 H new ATOM 0 HB3 GLN A 82 12.767 25.725 9.731 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.240 23.119 9.408 1.00 0.00 H new ATOM 0 HG3 GLN A 82 10.548 24.726 9.500 1.00 0.00 H new ATOM 0 HE21 GLN A 82 10.769 26.183 7.739 1.00 0.00 H new ATOM 0 HE22 GLN A 82 11.229 25.613 6.131 1.00 0.00 H new ATOM 1373 N ALA A 83 16.319 24.103 9.771 1.00 0.00 N ATOM 1374 CA ALA A 83 17.563 24.611 10.309 1.00 0.00 C ATOM 1375 C ALA A 83 18.488 25.008 9.170 1.00 0.00 C ATOM 1376 O ALA A 83 19.295 24.163 8.730 1.00 0.00 O ATOM 1377 CB ALA A 83 18.217 23.570 11.204 1.00 0.00 C ATOM 1378 OXT ALA A 83 18.373 26.153 8.689 1.00 0.00 O ATOM 0 H ALA A 83 16.435 23.365 9.076 1.00 0.00 H new ATOM 0 HA ALA A 83 17.359 25.493 10.916 1.00 0.00 H new ATOM 0 HB1 ALA A 83 19.151 23.967 11.601 1.00 0.00 H new ATOM 0 HB2 ALA A 83 17.547 23.326 12.028 1.00 0.00 H new ATOM 0 HB3 ALA A 83 18.422 22.670 10.625 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N LYS B 201 1.502 -7.840 -10.537 1.00 0.00 N ATOM 1386 CA LYS B 201 0.836 -6.578 -10.138 1.00 0.00 C ATOM 1387 C LYS B 201 1.315 -6.151 -8.757 1.00 0.00 C ATOM 1388 O LYS B 201 0.701 -6.501 -7.749 1.00 0.00 O ATOM 1389 CB LYS B 201 -0.683 -6.764 -10.126 1.00 0.00 C ATOM 1390 CG LYS B 201 -1.248 -7.284 -11.437 1.00 0.00 C ATOM 1391 CD LYS B 201 -1.111 -6.271 -12.559 1.00 0.00 C ATOM 1392 CE LYS B 201 -1.735 -6.787 -13.849 1.00 0.00 C ATOM 1393 NZ LYS B 201 -1.100 -8.050 -14.314 1.00 0.00 N ATOM 0 HA LYS B 201 1.092 -5.803 -10.860 1.00 0.00 H new ATOM 0 HB2 LYS B 201 -0.949 -7.456 -9.327 1.00 0.00 H new ATOM 0 HB3 LYS B 201 -1.155 -5.810 -9.891 1.00 0.00 H new ATOM 0 HG2 LYS B 201 -0.732 -8.203 -11.714 1.00 0.00 H new ATOM 0 HG3 LYS B 201 -2.300 -7.536 -11.303 1.00 0.00 H new ATOM 0 HD2 LYS B 201 -1.591 -5.336 -12.269 1.00 0.00 H new ATOM 0 HD3 LYS B 201 -0.057 -6.050 -12.725 1.00 0.00 H new ATOM 0 HE2 LYS B 201 -2.801 -6.954 -13.694 1.00 0.00 H new ATOM 0 HE3 LYS B 201 -1.641 -6.028 -14.625 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 -1.421 -8.265 -15.280 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 -0.066 -7.941 -14.309 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 -1.369 -8.828 -13.679 1.00 0.00 H new ATOM 1409 N TRP B 202 2.422 -5.405 -8.728 1.00 0.00 N ATOM 1410 CA TRP B 202 3.047 -4.969 -7.478 1.00 0.00 C ATOM 1411 C TRP B 202 3.468 -6.185 -6.649 1.00 0.00 C ATOM 1412 O TRP B 202 3.421 -6.183 -5.420 1.00 0.00 O ATOM 1413 CB TRP B 202 2.094 -4.056 -6.696 1.00 0.00 C ATOM 1414 CG TRP B 202 2.726 -3.382 -5.518 1.00 0.00 C ATOM 1415 CD1 TRP B 202 3.999 -2.896 -5.428 1.00 0.00 C ATOM 1416 CD2 TRP B 202 2.104 -3.108 -4.265 1.00 0.00 C ATOM 1417 NE1 TRP B 202 4.203 -2.331 -4.195 1.00 0.00 N ATOM 1418 CE2 TRP B 202 3.055 -2.452 -3.461 1.00 0.00 C ATOM 1419 CE3 TRP B 202 0.834 -3.354 -3.744 1.00 0.00 C ATOM 1420 CZ2 TRP B 202 2.775 -2.036 -2.165 1.00 0.00 C ATOM 1421 CZ3 TRP B 202 0.560 -2.940 -2.455 1.00 0.00 C ATOM 1422 CH2 TRP B 202 1.524 -2.290 -1.680 1.00 0.00 C ATOM 0 H TRP B 202 2.908 -5.088 -9.567 1.00 0.00 H new ATOM 0 HA TRP B 202 3.943 -4.393 -7.707 1.00 0.00 H new ATOM 0 HB2 TRP B 202 1.702 -3.294 -7.370 1.00 0.00 H new ATOM 0 HB3 TRP B 202 1.244 -4.645 -6.352 1.00 0.00 H new ATOM 0 HD1 TRP B 202 4.738 -2.949 -6.214 1.00 0.00 H new ATOM 0 HE1 TRP B 202 5.068 -1.893 -3.878 1.00 0.00 H new ATOM 0 HE3 TRP B 202 0.082 -3.856 -4.335 1.00 0.00 H new ATOM 0 HZ2 TRP B 202 3.518 -1.532 -1.565 1.00 0.00 H new ATOM 0 HZ3 TRP B 202 -0.419 -3.122 -2.038 1.00 0.00 H new ATOM 0 HH2 TRP B 202 1.274 -1.982 -0.676 1.00 0.00 H new ATOM 1433 N THR B 203 3.903 -7.216 -7.349 1.00 0.00 N ATOM 1434 CA THR B 203 4.305 -8.462 -6.728 1.00 0.00 C ATOM 1435 C THR B 203 5.687 -8.348 -6.088 1.00 0.00 C ATOM 1436 O THR B 203 6.206 -7.242 -5.904 1.00 0.00 O ATOM 1437 CB THR B 203 4.291 -9.610 -7.751 1.00 0.00 C ATOM 1438 OG1 THR B 203 4.901 -9.182 -8.975 1.00 0.00 O ATOM 1439 CG2 THR B 203 2.870 -10.075 -8.016 1.00 0.00 C ATOM 0 H THR B 203 3.987 -7.212 -8.366 1.00 0.00 H new ATOM 0 HA THR B 203 3.584 -8.681 -5.941 1.00 0.00 H new ATOM 0 HB THR B 203 4.858 -10.446 -7.340 1.00 0.00 H new ATOM 0 HG1 THR B 203 4.890 -9.919 -9.621 1.00 0.00 H new ATOM 0 HG21 THR B 203 2.883 -10.888 -8.742 1.00 0.00 H new ATOM 0 HG22 THR B 203 2.423 -10.426 -7.086 1.00 0.00 H new ATOM 0 HG23 THR B 203 2.283 -9.245 -8.410 1.00 0.00 H new ATOM 1447 N LEU B 204 6.257 -9.501 -5.736 1.00 0.00 N ATOM 1448 CA LEU B 204 7.534 -9.584 -5.028 1.00 0.00 C ATOM 1449 C LEU B 204 8.579 -8.616 -5.576 1.00 0.00 C ATOM 1450 O LEU B 204 9.343 -8.040 -4.807 1.00 0.00 O ATOM 1451 CB LEU B 204 8.094 -11.016 -5.069 1.00 0.00 C ATOM 1452 CG LEU B 204 8.545 -11.541 -6.442 1.00 0.00 C ATOM 1453 CD1 LEU B 204 9.374 -12.800 -6.272 1.00 0.00 C ATOM 1454 CD2 LEU B 204 7.355 -11.829 -7.348 1.00 0.00 C ATOM 0 H LEU B 204 5.842 -10.411 -5.936 1.00 0.00 H new ATOM 0 HA LEU B 204 7.326 -9.299 -3.997 1.00 0.00 H new ATOM 0 HB2 LEU B 204 8.944 -11.069 -4.388 1.00 0.00 H new ATOM 0 HB3 LEU B 204 7.332 -11.691 -4.680 1.00 0.00 H new ATOM 0 HG LEU B 204 9.150 -10.765 -6.912 1.00 0.00 H new ATOM 0 HD11 LEU B 204 9.688 -13.164 -7.250 1.00 0.00 H new ATOM 0 HD12 LEU B 204 10.254 -12.578 -5.668 1.00 0.00 H new ATOM 0 HD13 LEU B 204 8.777 -13.565 -5.776 1.00 0.00 H new ATOM 0 HD21 LEU B 204 7.711 -12.198 -8.310 1.00 0.00 H new ATOM 0 HD22 LEU B 204 6.718 -12.582 -6.884 1.00 0.00 H new ATOM 0 HD23 LEU B 204 6.783 -10.913 -7.500 1.00 0.00 H new ATOM 1466 N GLU B 205 8.595 -8.435 -6.892 1.00 0.00 N ATOM 1467 CA GLU B 205 9.578 -7.576 -7.537 1.00 0.00 C ATOM 1468 C GLU B 205 9.591 -6.186 -6.900 1.00 0.00 C ATOM 1469 O GLU B 205 10.495 -5.855 -6.129 1.00 0.00 O ATOM 1470 CB GLU B 205 9.272 -7.456 -9.033 1.00 0.00 C ATOM 1471 CG GLU B 205 9.060 -8.793 -9.727 1.00 0.00 C ATOM 1472 CD GLU B 205 8.769 -8.639 -11.207 1.00 0.00 C ATOM 1473 OE1 GLU B 205 9.580 -9.115 -12.029 1.00 0.00 O ATOM 1474 OE2 GLU B 205 7.737 -8.026 -11.555 1.00 0.00 O ATOM 0 H GLU B 205 7.935 -8.874 -7.534 1.00 0.00 H new ATOM 0 HA GLU B 205 10.561 -8.027 -7.404 1.00 0.00 H new ATOM 0 HB2 GLU B 205 8.379 -6.844 -9.164 1.00 0.00 H new ATOM 0 HB3 GLU B 205 10.093 -6.930 -9.521 1.00 0.00 H new ATOM 0 HG2 GLU B 205 9.948 -9.411 -9.597 1.00 0.00 H new ATOM 0 HG3 GLU B 205 8.233 -9.319 -9.250 1.00 0.00 H new ATOM 1481 N ARG B 206 8.558 -5.402 -7.176 1.00 0.00 N ATOM 1482 CA ARG B 206 8.506 -4.024 -6.711 1.00 0.00 C ATOM 1483 C ARG B 206 8.426 -3.962 -5.188 1.00 0.00 C ATOM 1484 O ARG B 206 9.292 -3.377 -4.537 1.00 0.00 O ATOM 1485 CB ARG B 206 7.319 -3.286 -7.342 1.00 0.00 C ATOM 1486 CG ARG B 206 7.298 -1.792 -7.036 1.00 0.00 C ATOM 1487 CD ARG B 206 6.124 -1.087 -7.708 1.00 0.00 C ATOM 1488 NE ARG B 206 6.150 -1.226 -9.164 1.00 0.00 N ATOM 1489 CZ ARG B 206 5.111 -0.963 -9.959 1.00 0.00 C ATOM 1490 NH1 ARG B 206 3.960 -0.533 -9.448 1.00 0.00 N ATOM 1491 NH2 ARG B 206 5.229 -1.123 -11.271 1.00 0.00 N ATOM 0 H ARG B 206 7.746 -5.697 -7.719 1.00 0.00 H new ATOM 0 HA ARG B 206 9.426 -3.529 -7.022 1.00 0.00 H new ATOM 0 HB2 ARG B 206 7.347 -3.427 -8.422 1.00 0.00 H new ATOM 0 HB3 ARG B 206 6.392 -3.735 -6.986 1.00 0.00 H new ATOM 0 HG2 ARG B 206 7.241 -1.644 -5.958 1.00 0.00 H new ATOM 0 HG3 ARG B 206 8.232 -1.340 -7.371 1.00 0.00 H new ATOM 0 HD2 ARG B 206 5.190 -1.496 -7.323 1.00 0.00 H new ATOM 0 HD3 ARG B 206 6.141 -0.029 -7.446 1.00 0.00 H new ATOM 0 HE ARG B 206 7.016 -1.544 -9.599 1.00 0.00 H new ATOM 0 HH11 ARG B 206 3.867 -0.402 -8.441 1.00 0.00 H new ATOM 0 HH12 ARG B 206 3.171 -0.335 -10.064 1.00 0.00 H new ATOM 0 HH21 ARG B 206 6.111 -1.446 -11.668 1.00 0.00 H new ATOM 0 HH22 ARG B 206 4.437 -0.923 -11.882 1.00 0.00 H new ATOM 1505 N LEU B 207 7.409 -4.596 -4.621 1.00 0.00 N ATOM 1506 CA LEU B 207 7.164 -4.500 -3.189 1.00 0.00 C ATOM 1507 C LEU B 207 8.255 -5.185 -2.381 1.00 0.00 C ATOM 1508 O LEU B 207 8.998 -4.529 -1.662 1.00 0.00 O ATOM 1509 CB LEU B 207 5.807 -5.103 -2.826 1.00 0.00 C ATOM 1510 CG LEU B 207 5.482 -5.129 -1.326 1.00 0.00 C ATOM 1511 CD1 LEU B 207 5.567 -3.736 -0.720 1.00 0.00 C ATOM 1512 CD2 LEU B 207 4.105 -5.713 -1.110 1.00 0.00 C ATOM 0 H LEU B 207 6.743 -5.180 -5.128 1.00 0.00 H new ATOM 0 HA LEU B 207 7.166 -3.439 -2.939 1.00 0.00 H new ATOM 0 HB2 LEU B 207 5.028 -4.540 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU B 207 5.767 -6.123 -3.208 1.00 0.00 H new ATOM 0 HG LEU B 207 6.220 -5.756 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU B 207 5.332 -3.787 0.343 1.00 0.00 H new ATOM 0 HD12 LEU B 207 6.576 -3.344 -0.850 1.00 0.00 H new ATOM 0 HD13 LEU B 207 4.855 -3.078 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU B 207 3.880 -5.729 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU B 207 3.365 -5.102 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU B 207 4.075 -6.729 -1.502 1.00 0.00 H new ATOM 1524 N LYS B 208 8.370 -6.494 -2.530 1.00 0.00 N ATOM 1525 CA LYS B 208 9.193 -7.297 -1.633 1.00 0.00 C ATOM 1526 C LYS B 208 10.673 -6.931 -1.751 1.00 0.00 C ATOM 1527 O LYS B 208 11.398 -6.928 -0.753 1.00 0.00 O ATOM 1528 CB LYS B 208 8.974 -8.782 -1.926 1.00 0.00 C ATOM 1529 CG LYS B 208 9.505 -9.725 -0.858 1.00 0.00 C ATOM 1530 CD LYS B 208 9.267 -11.182 -1.239 1.00 0.00 C ATOM 1531 CE LYS B 208 7.801 -11.454 -1.560 1.00 0.00 C ATOM 1532 NZ LYS B 208 7.570 -12.862 -1.982 1.00 0.00 N ATOM 0 H LYS B 208 7.904 -7.027 -3.264 1.00 0.00 H new ATOM 0 HA LYS B 208 8.891 -7.087 -0.607 1.00 0.00 H new ATOM 0 HB2 LYS B 208 7.906 -8.960 -2.050 1.00 0.00 H new ATOM 0 HB3 LYS B 208 9.450 -9.025 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.572 -9.553 -0.716 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.018 -9.511 0.094 1.00 0.00 H new ATOM 0 HD2 LYS B 208 9.881 -11.436 -2.103 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.585 -11.828 -0.421 1.00 0.00 H new ATOM 0 HE2 LYS B 208 7.192 -11.235 -0.683 1.00 0.00 H new ATOM 0 HE3 LYS B 208 7.473 -10.781 -2.352 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 6.848 -12.886 -2.730 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 8.457 -13.266 -2.344 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 7.243 -13.420 -1.167 1.00 0.00 H new ATOM 1546 N ARG B 209 11.120 -6.595 -2.959 1.00 0.00 N ATOM 1547 CA ARG B 209 12.522 -6.259 -3.165 1.00 0.00 C ATOM 1548 C ARG B 209 12.842 -4.856 -2.654 1.00 0.00 C ATOM 1549 O ARG B 209 13.965 -4.588 -2.247 1.00 0.00 O ATOM 1550 CB ARG B 209 12.910 -6.383 -4.639 1.00 0.00 C ATOM 1551 CG ARG B 209 13.321 -7.785 -5.075 1.00 0.00 C ATOM 1552 CD ARG B 209 12.297 -8.851 -4.700 1.00 0.00 C ATOM 1553 NE ARG B 209 12.629 -10.144 -5.298 1.00 0.00 N ATOM 1554 CZ ARG B 209 12.589 -11.310 -4.651 1.00 0.00 C ATOM 1555 NH1 ARG B 209 12.220 -11.364 -3.375 1.00 0.00 N ATOM 1556 NH2 ARG B 209 12.925 -12.425 -5.284 1.00 0.00 N ATOM 0 H ARG B 209 10.540 -6.549 -3.797 1.00 0.00 H new ATOM 0 HA ARG B 209 13.110 -6.974 -2.590 1.00 0.00 H new ATOM 0 HB2 ARG B 209 12.068 -6.060 -5.251 1.00 0.00 H new ATOM 0 HB3 ARG B 209 13.733 -5.698 -4.843 1.00 0.00 H new ATOM 0 HG2 ARG B 209 13.468 -7.795 -6.155 1.00 0.00 H new ATOM 0 HG3 ARG B 209 14.280 -8.034 -4.620 1.00 0.00 H new ATOM 0 HD2 ARG B 209 12.254 -8.950 -3.615 1.00 0.00 H new ATOM 0 HD3 ARG B 209 11.307 -8.539 -5.031 1.00 0.00 H new ATOM 0 HE ARG B 209 12.911 -10.155 -6.278 1.00 0.00 H new ATOM 0 HH11 ARG B 209 11.964 -10.509 -2.881 1.00 0.00 H new ATOM 0 HH12 ARG B 209 12.193 -12.261 -2.889 1.00 0.00 H new ATOM 0 HH21 ARG B 209 13.213 -12.389 -6.262 1.00 0.00 H new ATOM 0 HH22 ARG B 209 12.896 -13.319 -4.793 1.00 0.00 H new ATOM 1570 N LYS B 210 11.862 -3.957 -2.673 1.00 0.00 N ATOM 1571 CA LYS B 210 12.092 -2.594 -2.195 1.00 0.00 C ATOM 1572 C LYS B 210 11.787 -2.482 -0.700 1.00 0.00 C ATOM 1573 O LYS B 210 12.352 -1.641 0.001 1.00 0.00 O ATOM 1574 CB LYS B 210 11.238 -1.605 -2.997 1.00 0.00 C ATOM 1575 CG LYS B 210 11.568 -0.142 -2.739 1.00 0.00 C ATOM 1576 CD LYS B 210 13.004 0.202 -3.121 1.00 0.00 C ATOM 1577 CE LYS B 210 13.263 0.030 -4.614 1.00 0.00 C ATOM 1578 NZ LYS B 210 12.403 0.918 -5.443 1.00 0.00 N ATOM 0 H LYS B 210 10.916 -4.141 -3.008 1.00 0.00 H new ATOM 0 HA LYS B 210 13.144 -2.348 -2.342 1.00 0.00 H new ATOM 0 HB2 LYS B 210 11.364 -1.812 -4.060 1.00 0.00 H new ATOM 0 HB3 LYS B 210 10.187 -1.776 -2.762 1.00 0.00 H new ATOM 0 HG2 LYS B 210 10.882 0.488 -3.305 1.00 0.00 H new ATOM 0 HG3 LYS B 210 11.411 0.083 -1.684 1.00 0.00 H new ATOM 0 HD2 LYS B 210 13.217 1.232 -2.834 1.00 0.00 H new ATOM 0 HD3 LYS B 210 13.689 -0.434 -2.560 1.00 0.00 H new ATOM 0 HE2 LYS B 210 14.311 0.242 -4.825 1.00 0.00 H new ATOM 0 HE3 LYS B 210 13.085 -1.008 -4.894 1.00 0.00 H new ATOM 0 HZ1 LYS B 210 12.738 0.906 -6.427 1.00 0.00 H new ATOM 0 HZ2 LYS B 210 11.420 0.581 -5.408 1.00 0.00 H new ATOM 0 HZ3 LYS B 210 12.449 1.889 -5.074 1.00 0.00 H new ATOM 1592 N TYR B 211 10.900 -3.343 -0.226 1.00 0.00 N ATOM 1593 CA TYR B 211 10.489 -3.362 1.173 1.00 0.00 C ATOM 1594 C TYR B 211 11.641 -3.807 2.069 1.00 0.00 C ATOM 1595 O TYR B 211 12.022 -3.104 3.008 1.00 0.00 O ATOM 1596 CB TYR B 211 9.289 -4.315 1.327 1.00 0.00 C ATOM 1597 CG TYR B 211 8.679 -4.407 2.715 1.00 0.00 C ATOM 1598 CD1 TYR B 211 7.360 -4.036 2.921 1.00 0.00 C ATOM 1599 CD2 TYR B 211 9.403 -4.881 3.806 1.00 0.00 C ATOM 1600 CE1 TYR B 211 6.778 -4.129 4.172 1.00 0.00 C ATOM 1601 CE2 TYR B 211 8.829 -4.972 5.061 1.00 0.00 C ATOM 1602 CZ TYR B 211 7.516 -4.594 5.238 1.00 0.00 C ATOM 1603 OH TYR B 211 6.938 -4.684 6.487 1.00 0.00 O ATOM 0 H TYR B 211 10.443 -4.051 -0.800 1.00 0.00 H new ATOM 0 HA TYR B 211 10.200 -2.356 1.478 1.00 0.00 H new ATOM 0 HB2 TYR B 211 8.511 -4.001 0.631 1.00 0.00 H new ATOM 0 HB3 TYR B 211 9.604 -5.314 1.024 1.00 0.00 H new ATOM 0 HD1 TYR B 211 6.776 -3.668 2.090 1.00 0.00 H new ATOM 0 HD2 TYR B 211 10.431 -5.183 3.670 1.00 0.00 H new ATOM 0 HE1 TYR B 211 5.748 -3.838 4.313 1.00 0.00 H new ATOM 0 HE2 TYR B 211 9.407 -5.337 5.897 1.00 0.00 H new ATOM 0 HH TYR B 211 7.594 -5.032 7.127 1.00 0.00 H new ATOM 1613 N ARG B 212 12.194 -4.974 1.773 1.00 0.00 N ATOM 1614 CA ARG B 212 13.186 -5.583 2.646 1.00 0.00 C ATOM 1615 C ARG B 212 14.604 -5.144 2.291 1.00 0.00 C ATOM 1616 O ARG B 212 15.449 -4.986 3.176 1.00 0.00 O ATOM 1617 CB ARG B 212 13.074 -7.107 2.574 1.00 0.00 C ATOM 1618 CG ARG B 212 13.949 -7.834 3.582 1.00 0.00 C ATOM 1619 CD ARG B 212 13.831 -9.342 3.428 1.00 0.00 C ATOM 1620 NE ARG B 212 14.288 -9.791 2.113 1.00 0.00 N ATOM 1621 CZ ARG B 212 13.764 -10.826 1.458 1.00 0.00 C ATOM 1622 NH1 ARG B 212 12.778 -11.530 1.997 1.00 0.00 N ATOM 1623 NH2 ARG B 212 14.232 -11.164 0.264 1.00 0.00 N ATOM 0 H ARG B 212 11.974 -5.516 0.938 1.00 0.00 H new ATOM 0 HA ARG B 212 12.985 -5.248 3.663 1.00 0.00 H new ATOM 0 HB2 ARG B 212 12.035 -7.394 2.735 1.00 0.00 H new ATOM 0 HB3 ARG B 212 13.343 -7.435 1.570 1.00 0.00 H new ATOM 0 HG2 ARG B 212 14.988 -7.533 3.449 1.00 0.00 H new ATOM 0 HG3 ARG B 212 13.660 -7.546 4.593 1.00 0.00 H new ATOM 0 HD2 ARG B 212 14.418 -9.834 4.204 1.00 0.00 H new ATOM 0 HD3 ARG B 212 12.793 -9.642 3.574 1.00 0.00 H new ATOM 0 HE ARG B 212 15.053 -9.281 1.671 1.00 0.00 H new ATOM 0 HH11 ARG B 212 12.417 -11.280 2.918 1.00 0.00 H new ATOM 0 HH12 ARG B 212 12.381 -12.321 1.491 1.00 0.00 H new ATOM 0 HH21 ARG B 212 14.995 -10.631 -0.154 1.00 0.00 H new ATOM 0 HH22 ARG B 212 13.829 -11.957 -0.236 1.00 0.00 H new ATOM 1637 N ASN B 213 14.867 -4.936 1.009 1.00 0.00 N ATOM 1638 CA ASN B 213 16.219 -4.624 0.565 1.00 0.00 C ATOM 1639 C ASN B 213 16.418 -3.119 0.464 1.00 0.00 C ATOM 1640 O ASN B 213 16.928 -2.524 1.434 1.00 0.00 O ATOM 1641 CB ASN B 213 16.522 -5.285 -0.782 1.00 0.00 C ATOM 1642 CG ASN B 213 16.285 -6.784 -0.773 1.00 0.00 C ATOM 1643 OD1 ASN B 213 16.378 -7.441 0.267 1.00 0.00 O ATOM 1644 ND2 ASN B 213 15.984 -7.341 -1.935 1.00 0.00 N ATOM 1645 OXT ASN B 213 16.062 -2.530 -0.579 1.00 0.00 O ATOM 0 H ASN B 213 14.171 -4.977 0.264 1.00 0.00 H new ATOM 0 HA ASN B 213 16.912 -5.021 1.307 1.00 0.00 H new ATOM 0 HB2 ASN B 213 15.900 -4.829 -1.552 1.00 0.00 H new ATOM 0 HB3 ASN B 213 17.560 -5.088 -1.052 1.00 0.00 H new ATOM 0 HD21 ASN B 213 15.820 -8.346 -1.991 1.00 0.00 H new ATOM 0 HD22 ASN B 213 15.916 -6.765 -2.774 1.00 0.00 H new TER 1652 ASN B 213