USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 837 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 83 HIS : no HD1:sc= 0.564 K(o=2.3,f=-5.1!) USER MOD Set 1.2: A 85 TYR OH : rot -49:sc= 1.32 USER MOD Set 1.3: A 90 LYS NZ :NH3+ -176:sc= 0.459 (180deg=0.453) USER MOD Set 2.1: A 3 SER OG : rot -123:sc= 0.639 USER MOD Set 2.2: A 16 GLN : amide:sc= 1.15 K(o=3,f=-0.53) USER MOD Set 2.3: A 19 LYS NZ :NH3+ 176:sc= 1.19 (180deg=0) USER MOD Set 3.1: A 1 GLY N :NH3+ 152:sc= 2.39 (180deg=0.988) USER MOD Set 3.2: A 51 ASN : amide:sc= 1.66 K(o=4.1,f=-6.5!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.128 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0.823 (180deg=0.823) USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= -0.152 (180deg=-0.247) USER MOD Single : A 24 HIS : no HD1:sc= -0.11! C(o=-0.11!,f=-5.4!) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= 1.73 (180deg=1.34) USER MOD Single : A 32 THR OG1 : rot 165:sc= 0.332 USER MOD Single : A 34 THR OG1 : rot -124:sc= 0.81 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 70:sc= 1.05 USER MOD Single : A 50 SER OG : rot -69:sc= 1.43 USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 145:sc= 0.256 (180deg=0.0365) USER MOD Single : A 61 LYS NZ :NH3+ 170:sc= -0.0204 (180deg=-0.133) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.541 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 94:sc= 0.951 USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= 0.661 (180deg=0.611) USER MOD Single : A 98 SER OG : rot 70:sc= 1.01 USER MOD Single : A 99 GLN : amide:sc= 0.748 K(o=0.75,f=-5.4!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 170:sc=-0.00539 (180deg=-0.115) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= 0.217 K(o=0.22,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.627 -5.691 8.900 1.00 0.00 N ATOM 2 CA GLY A 1 -2.712 -7.147 8.685 1.00 0.00 C ATOM 3 C GLY A 1 -1.320 -7.722 8.444 1.00 0.00 C ATOM 4 O GLY A 1 -0.353 -7.094 8.862 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.516 -5.243 8.598 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.468 -5.498 9.909 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.838 -5.304 8.345 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.166 -7.625 9.553 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.355 -7.360 7.831 1.00 0.00 H new ATOM 10 N GLY A 2 -1.215 -8.880 7.779 1.00 0.00 N ATOM 11 CA GLY A 2 0.073 -9.478 7.441 1.00 0.00 C ATOM 12 C GLY A 2 0.686 -8.681 6.291 1.00 0.00 C ATOM 13 O GLY A 2 1.396 -7.706 6.517 1.00 0.00 O ATOM 0 H GLY A 2 -2.019 -9.423 7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 2 0.736 -9.466 8.306 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.057 -10.521 7.153 1.00 0.00 H new ATOM 17 N SER A 3 0.347 -9.029 5.048 1.00 0.00 N ATOM 18 CA SER A 3 0.794 -8.311 3.857 1.00 0.00 C ATOM 19 C SER A 3 -0.032 -7.029 3.662 1.00 0.00 C ATOM 20 O SER A 3 -0.531 -6.758 2.568 1.00 0.00 O ATOM 21 CB SER A 3 0.639 -9.249 2.659 1.00 0.00 C ATOM 22 OG SER A 3 1.164 -10.527 2.980 1.00 0.00 O ATOM 0 H SER A 3 -0.253 -9.827 4.840 1.00 0.00 H new ATOM 0 HA SER A 3 1.837 -8.012 3.962 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.413 -9.335 2.387 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.160 -8.838 1.794 1.00 0.00 H new ATOM 0 HG SER A 3 1.858 -10.768 2.331 1.00 0.00 H new ATOM 28 N VAL A 4 -0.208 -6.278 4.752 1.00 0.00 N ATOM 29 CA VAL A 4 -1.001 -5.077 4.877 1.00 0.00 C ATOM 30 C VAL A 4 -0.382 -4.284 6.030 1.00 0.00 C ATOM 31 O VAL A 4 -0.761 -4.506 7.184 1.00 0.00 O ATOM 32 CB VAL A 4 -2.453 -5.461 5.222 1.00 0.00 C ATOM 33 CG1 VAL A 4 -3.242 -4.191 5.539 1.00 0.00 C ATOM 34 CG2 VAL A 4 -3.171 -6.254 4.128 1.00 0.00 C ATOM 0 H VAL A 4 0.241 -6.524 5.634 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.013 -4.495 3.955 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.402 -6.124 6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.271 -4.454 5.784 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.785 -3.681 6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.233 -3.531 4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.186 -6.483 4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.207 -5.662 3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.632 -7.182 3.939 1.00 0.00 H new ATOM 44 N ILE A 5 0.579 -3.407 5.738 1.00 0.00 N ATOM 45 CA ILE A 5 1.271 -2.615 6.744 1.00 0.00 C ATOM 46 C ILE A 5 1.600 -1.234 6.178 1.00 0.00 C ATOM 47 O ILE A 5 1.851 -1.079 4.982 1.00 0.00 O ATOM 48 CB ILE A 5 2.554 -3.333 7.218 1.00 0.00 C ATOM 49 CG1 ILE A 5 3.374 -3.853 6.023 1.00 0.00 C ATOM 50 CG2 ILE A 5 2.202 -4.491 8.163 1.00 0.00 C ATOM 51 CD1 ILE A 5 4.733 -4.427 6.437 1.00 0.00 C ATOM 0 H ILE A 5 0.899 -3.228 4.786 1.00 0.00 H new ATOM 0 HA ILE A 5 0.618 -2.494 7.608 1.00 0.00 H new ATOM 0 HB ILE A 5 3.163 -2.608 7.758 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.803 -4.623 5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.529 -3.040 5.314 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.117 -4.986 8.488 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.671 -4.103 9.032 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.568 -5.207 7.641 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.265 -4.777 5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.320 -3.652 6.930 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.582 -5.260 7.123 1.00 0.00 H new ATOM 63 N VAL A 6 1.634 -0.236 7.063 1.00 0.00 N ATOM 64 CA VAL A 6 1.933 1.157 6.748 1.00 0.00 C ATOM 65 C VAL A 6 3.458 1.327 6.623 1.00 0.00 C ATOM 66 O VAL A 6 4.084 2.136 7.302 1.00 0.00 O ATOM 67 CB VAL A 6 1.249 2.054 7.807 1.00 0.00 C ATOM 68 CG1 VAL A 6 1.767 1.878 9.245 1.00 0.00 C ATOM 69 CG2 VAL A 6 1.265 3.537 7.415 1.00 0.00 C ATOM 0 H VAL A 6 1.447 -0.384 8.055 1.00 0.00 H new ATOM 0 HA VAL A 6 1.529 1.468 5.785 1.00 0.00 H new ATOM 0 HB VAL A 6 0.219 1.698 7.814 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.226 2.549 9.911 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.612 0.847 9.564 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.831 2.112 9.280 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.773 4.124 8.191 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.296 3.873 7.305 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.737 3.669 6.471 1.00 0.00 H new ATOM 79 N ILE A 7 4.061 0.522 5.746 1.00 0.00 N ATOM 80 CA ILE A 7 5.498 0.480 5.502 1.00 0.00 C ATOM 81 C ILE A 7 5.904 1.567 4.497 1.00 0.00 C ATOM 82 O ILE A 7 5.095 2.416 4.128 1.00 0.00 O ATOM 83 CB ILE A 7 5.833 -0.963 5.052 1.00 0.00 C ATOM 84 CG1 ILE A 7 7.320 -1.363 5.089 1.00 0.00 C ATOM 85 CG2 ILE A 7 5.310 -1.242 3.634 1.00 0.00 C ATOM 86 CD1 ILE A 7 8.016 -1.019 6.409 1.00 0.00 C ATOM 0 H ILE A 7 3.542 -0.139 5.168 1.00 0.00 H new ATOM 0 HA ILE A 7 6.078 0.704 6.397 1.00 0.00 H new ATOM 0 HB ILE A 7 5.328 -1.570 5.803 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.403 -2.435 4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.842 -0.864 4.272 1.00 0.00 H new ATOM 0 HG21 ILE A 7 5.561 -2.263 3.348 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.228 -1.116 3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.770 -0.545 2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.060 -1.330 6.362 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.965 0.057 6.578 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.520 -1.539 7.228 1.00 0.00 H new ATOM 98 N ASP A 8 7.173 1.560 4.086 1.00 0.00 N ATOM 99 CA ASP A 8 7.743 2.440 3.073 1.00 0.00 C ATOM 100 C ASP A 8 9.097 1.886 2.632 1.00 0.00 C ATOM 101 O ASP A 8 9.374 1.750 1.445 1.00 0.00 O ATOM 102 CB ASP A 8 7.904 3.864 3.618 1.00 0.00 C ATOM 103 CG ASP A 8 8.706 4.711 2.640 1.00 0.00 C ATOM 104 OD1 ASP A 8 8.157 4.991 1.553 1.00 0.00 O ATOM 105 OD2 ASP A 8 9.861 5.037 2.985 1.00 0.00 O ATOM 0 H ASP A 8 7.860 0.910 4.469 1.00 0.00 H new ATOM 0 HA ASP A 8 7.069 2.482 2.217 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.924 4.312 3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.407 3.837 4.585 1.00 0.00 H new ATOM 110 N SER A 9 9.927 1.573 3.627 1.00 0.00 N ATOM 111 CA SER A 9 11.283 1.074 3.522 1.00 0.00 C ATOM 112 C SER A 9 11.504 0.130 2.332 1.00 0.00 C ATOM 113 O SER A 9 10.976 -0.980 2.318 1.00 0.00 O ATOM 114 CB SER A 9 11.602 0.384 4.851 1.00 0.00 C ATOM 115 OG SER A 9 11.041 1.145 5.909 1.00 0.00 O ATOM 0 H SER A 9 9.638 1.672 4.600 1.00 0.00 H new ATOM 0 HA SER A 9 11.958 1.908 3.331 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.196 -0.628 4.858 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.681 0.296 4.981 1.00 0.00 H new ATOM 0 HG SER A 9 11.238 0.710 6.765 1.00 0.00 H new ATOM 121 N LYS A 10 12.339 0.554 1.375 1.00 0.00 N ATOM 122 CA LYS A 10 12.684 -0.178 0.157 1.00 0.00 C ATOM 123 C LYS A 10 12.929 -1.665 0.458 1.00 0.00 C ATOM 124 O LYS A 10 12.313 -2.541 -0.144 1.00 0.00 O ATOM 125 CB LYS A 10 13.914 0.498 -0.480 1.00 0.00 C ATOM 126 CG LYS A 10 14.009 0.336 -2.004 1.00 0.00 C ATOM 127 CD LYS A 10 14.347 -1.090 -2.452 1.00 0.00 C ATOM 128 CE LYS A 10 14.539 -1.142 -3.972 1.00 0.00 C ATOM 129 NZ LYS A 10 14.871 -2.506 -4.419 1.00 0.00 N ATOM 0 H LYS A 10 12.811 1.456 1.434 1.00 0.00 H new ATOM 0 HA LYS A 10 11.855 -0.145 -0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.894 1.561 -0.240 1.00 0.00 H new ATOM 0 HB3 LYS A 10 14.815 0.086 -0.026 1.00 0.00 H new ATOM 0 HG2 LYS A 10 13.061 0.633 -2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.769 1.017 -2.386 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.255 -1.429 -1.953 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.548 -1.770 -2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 10 13.629 -0.805 -4.468 1.00 0.00 H new ATOM 0 HE3 LYS A 10 15.334 -0.456 -4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 14.995 -2.512 -5.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.752 -2.816 -3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 14.100 -3.154 -4.159 1.00 0.00 H new ATOM 143 N ALA A 11 13.797 -1.956 1.430 1.00 0.00 N ATOM 144 CA ALA A 11 14.112 -3.326 1.823 1.00 0.00 C ATOM 145 C ALA A 11 12.849 -4.113 2.197 1.00 0.00 C ATOM 146 O ALA A 11 12.701 -5.276 1.826 1.00 0.00 O ATOM 147 CB ALA A 11 15.090 -3.296 3.001 1.00 0.00 C ATOM 0 H ALA A 11 14.299 -1.247 1.965 1.00 0.00 H new ATOM 0 HA ALA A 11 14.569 -3.834 0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.330 -4.316 3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.003 -2.781 2.703 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.634 -2.770 3.839 1.00 0.00 H new ATOM 153 N ALA A 12 11.928 -3.486 2.934 1.00 0.00 N ATOM 154 CA ALA A 12 10.688 -4.130 3.340 1.00 0.00 C ATOM 155 C ALA A 12 9.761 -4.284 2.134 1.00 0.00 C ATOM 156 O ALA A 12 8.997 -5.245 2.070 1.00 0.00 O ATOM 157 CB ALA A 12 10.025 -3.327 4.456 1.00 0.00 C ATOM 0 H ALA A 12 12.025 -2.525 3.261 1.00 0.00 H new ATOM 0 HA ALA A 12 10.904 -5.126 3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.097 -3.816 4.754 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.697 -3.271 5.312 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.806 -2.320 4.099 1.00 0.00 H new ATOM 163 N TRP A 13 9.808 -3.343 1.185 1.00 0.00 N ATOM 164 CA TRP A 13 9.072 -3.455 -0.071 1.00 0.00 C ATOM 165 C TRP A 13 9.568 -4.720 -0.786 1.00 0.00 C ATOM 166 O TRP A 13 8.764 -5.569 -1.172 1.00 0.00 O ATOM 167 CB TRP A 13 9.219 -2.145 -0.884 1.00 0.00 C ATOM 168 CG TRP A 13 9.465 -2.214 -2.368 1.00 0.00 C ATOM 169 CD1 TRP A 13 10.626 -2.590 -2.952 1.00 0.00 C ATOM 170 CD2 TRP A 13 8.617 -1.770 -3.473 1.00 0.00 C ATOM 171 NE1 TRP A 13 10.537 -2.500 -4.320 1.00 0.00 N ATOM 172 CE2 TRP A 13 9.327 -1.966 -4.696 1.00 0.00 C ATOM 173 CE3 TRP A 13 7.334 -1.190 -3.572 1.00 0.00 C ATOM 174 CZ2 TRP A 13 8.794 -1.619 -5.944 1.00 0.00 C ATOM 175 CZ3 TRP A 13 6.799 -0.817 -4.819 1.00 0.00 C ATOM 176 CH2 TRP A 13 7.529 -1.019 -6.002 1.00 0.00 C ATOM 0 H TRP A 13 10.356 -2.487 1.269 1.00 0.00 H new ATOM 0 HA TRP A 13 7.999 -3.570 0.081 1.00 0.00 H new ATOM 0 HB2 TRP A 13 8.311 -1.562 -0.731 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.039 -1.578 -0.444 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.504 -2.917 -2.415 1.00 0.00 H new ATOM 0 HE1 TRP A 13 11.269 -2.790 -4.969 1.00 0.00 H new ATOM 0 HE3 TRP A 13 6.753 -1.030 -2.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 9.351 -1.811 -6.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 5.817 -0.371 -4.867 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.117 -0.713 -6.952 1.00 0.00 H new ATOM 187 N ASP A 14 10.891 -4.888 -0.898 1.00 0.00 N ATOM 188 CA ASP A 14 11.481 -6.062 -1.535 1.00 0.00 C ATOM 189 C ASP A 14 11.045 -7.319 -0.788 1.00 0.00 C ATOM 190 O ASP A 14 10.660 -8.311 -1.401 1.00 0.00 O ATOM 191 CB ASP A 14 13.012 -5.993 -1.545 1.00 0.00 C ATOM 192 CG ASP A 14 13.581 -4.827 -2.342 1.00 0.00 C ATOM 193 OD1 ASP A 14 13.109 -4.613 -3.481 1.00 0.00 O ATOM 194 OD2 ASP A 14 14.498 -4.169 -1.805 1.00 0.00 O ATOM 0 H ASP A 14 11.575 -4.216 -0.551 1.00 0.00 H new ATOM 0 HA ASP A 14 11.134 -6.090 -2.568 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.368 -5.923 -0.517 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.403 -6.924 -1.955 1.00 0.00 H new ATOM 199 N ALA A 15 11.117 -7.272 0.544 1.00 0.00 N ATOM 200 CA ALA A 15 10.694 -8.382 1.384 1.00 0.00 C ATOM 201 C ALA A 15 9.260 -8.763 1.025 1.00 0.00 C ATOM 202 O ALA A 15 9.002 -9.916 0.697 1.00 0.00 O ATOM 203 CB ALA A 15 10.831 -8.028 2.867 1.00 0.00 C ATOM 0 H ALA A 15 11.468 -6.467 1.063 1.00 0.00 H new ATOM 0 HA ALA A 15 11.339 -9.242 1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.509 -8.874 3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.872 -7.796 3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.210 -7.161 3.093 1.00 0.00 H new ATOM 209 N GLN A 16 8.343 -7.790 1.051 1.00 0.00 N ATOM 210 CA GLN A 16 6.939 -7.966 0.685 1.00 0.00 C ATOM 211 C GLN A 16 6.851 -8.683 -0.664 1.00 0.00 C ATOM 212 O GLN A 16 6.172 -9.703 -0.780 1.00 0.00 O ATOM 213 CB GLN A 16 6.217 -6.605 0.636 1.00 0.00 C ATOM 214 CG GLN A 16 5.127 -6.469 1.709 1.00 0.00 C ATOM 215 CD GLN A 16 5.605 -6.715 3.139 1.00 0.00 C ATOM 216 OE1 GLN A 16 4.903 -7.346 3.922 1.00 0.00 O ATOM 217 NE2 GLN A 16 6.792 -6.238 3.504 1.00 0.00 N ATOM 0 H GLN A 16 8.565 -6.836 1.335 1.00 0.00 H new ATOM 0 HA GLN A 16 6.443 -8.576 1.441 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.948 -5.807 0.764 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.769 -6.472 -0.349 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.701 -5.467 1.650 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.324 -7.171 1.483 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.359 -5.716 2.836 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.135 -6.394 4.452 1.00 0.00 H new ATOM 226 N LEU A 17 7.590 -8.169 -1.653 1.00 0.00 N ATOM 227 CA LEU A 17 7.662 -8.707 -3.008 1.00 0.00 C ATOM 228 C LEU A 17 8.099 -10.178 -3.070 1.00 0.00 C ATOM 229 O LEU A 17 7.963 -10.795 -4.124 1.00 0.00 O ATOM 230 CB LEU A 17 8.609 -7.831 -3.851 1.00 0.00 C ATOM 231 CG LEU A 17 7.812 -6.872 -4.740 1.00 0.00 C ATOM 232 CD1 LEU A 17 7.109 -5.762 -3.950 1.00 0.00 C ATOM 233 CD2 LEU A 17 8.696 -6.239 -5.819 1.00 0.00 C ATOM 0 H LEU A 17 8.171 -7.341 -1.524 1.00 0.00 H new ATOM 0 HA LEU A 17 6.651 -8.682 -3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.268 -7.263 -3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.244 -8.465 -4.470 1.00 0.00 H new ATOM 0 HG LEU A 17 7.044 -7.486 -5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.562 -5.117 -4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.413 -6.207 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.851 -5.172 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.097 -5.565 -6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.503 -5.679 -5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.118 -7.022 -6.449 1.00 0.00 H new ATOM 245 N ALA A 18 8.640 -10.728 -1.982 1.00 0.00 N ATOM 246 CA ALA A 18 9.040 -12.127 -1.868 1.00 0.00 C ATOM 247 C ALA A 18 8.095 -12.887 -0.923 1.00 0.00 C ATOM 248 O ALA A 18 7.402 -13.815 -1.341 1.00 0.00 O ATOM 249 CB ALA A 18 10.491 -12.199 -1.384 1.00 0.00 C ATOM 0 H ALA A 18 8.816 -10.194 -1.131 1.00 0.00 H new ATOM 0 HA ALA A 18 8.973 -12.605 -2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.794 -13.242 -1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.139 -11.691 -2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.574 -11.715 -0.411 1.00 0.00 H new ATOM 255 N LYS A 19 8.054 -12.500 0.359 1.00 0.00 N ATOM 256 CA LYS A 19 7.245 -13.169 1.377 1.00 0.00 C ATOM 257 C LYS A 19 5.753 -13.160 1.037 1.00 0.00 C ATOM 258 O LYS A 19 5.008 -13.979 1.571 1.00 0.00 O ATOM 259 CB LYS A 19 7.491 -12.560 2.767 1.00 0.00 C ATOM 260 CG LYS A 19 7.258 -11.044 2.832 1.00 0.00 C ATOM 261 CD LYS A 19 6.223 -10.604 3.877 1.00 0.00 C ATOM 262 CE LYS A 19 4.785 -10.848 3.402 1.00 0.00 C ATOM 263 NZ LYS A 19 3.816 -10.151 4.266 1.00 0.00 N ATOM 0 H LYS A 19 8.587 -11.708 0.718 1.00 0.00 H new ATOM 0 HA LYS A 19 7.562 -14.212 1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.837 -13.050 3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.516 -12.774 3.070 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.206 -10.552 3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.936 -10.696 1.851 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.394 -11.146 4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.357 -9.545 4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.675 -10.503 2.374 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.575 -11.918 3.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.857 -10.277 3.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.860 -10.546 5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.046 -9.137 4.298 1.00 0.00 H new ATOM 277 N GLY A 20 5.296 -12.250 0.172 1.00 0.00 N ATOM 278 CA GLY A 20 3.909 -12.237 -0.246 1.00 0.00 C ATOM 279 C GLY A 20 3.526 -13.517 -1.001 1.00 0.00 C ATOM 280 O GLY A 20 2.340 -13.826 -1.070 1.00 0.00 O ATOM 0 H GLY A 20 5.871 -11.519 -0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.268 -12.126 0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.731 -11.372 -0.885 1.00 0.00 H new ATOM 284 N LYS A 21 4.505 -14.264 -1.538 1.00 0.00 N ATOM 285 CA LYS A 21 4.313 -15.490 -2.313 1.00 0.00 C ATOM 286 C LYS A 21 3.641 -15.128 -3.636 1.00 0.00 C ATOM 287 O LYS A 21 2.518 -15.533 -3.925 1.00 0.00 O ATOM 288 CB LYS A 21 3.533 -16.560 -1.531 1.00 0.00 C ATOM 289 CG LYS A 21 4.261 -16.952 -0.238 1.00 0.00 C ATOM 290 CD LYS A 21 3.351 -17.715 0.736 1.00 0.00 C ATOM 291 CE LYS A 21 2.643 -16.781 1.730 1.00 0.00 C ATOM 292 NZ LYS A 21 1.730 -15.830 1.072 1.00 0.00 N ATOM 0 H LYS A 21 5.489 -14.016 -1.437 1.00 0.00 H new ATOM 0 HA LYS A 21 5.284 -15.941 -2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.539 -16.184 -1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.398 -17.443 -2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.125 -17.569 -0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.639 -16.054 0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.604 -18.272 0.170 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.944 -18.445 1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.081 -17.380 2.447 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.391 -16.226 2.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.157 -15.344 1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.284 -15.129 0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.104 -16.344 0.420 1.00 0.00 H new ATOM 306 N GLU A 22 4.374 -14.363 -4.444 1.00 0.00 N ATOM 307 CA GLU A 22 4.021 -13.807 -5.742 1.00 0.00 C ATOM 308 C GLU A 22 3.928 -14.896 -6.822 1.00 0.00 C ATOM 309 O GLU A 22 4.613 -14.846 -7.842 1.00 0.00 O ATOM 310 CB GLU A 22 5.082 -12.749 -6.095 1.00 0.00 C ATOM 311 CG GLU A 22 4.909 -11.416 -5.350 1.00 0.00 C ATOM 312 CD GLU A 22 4.999 -11.469 -3.827 1.00 0.00 C ATOM 313 OE1 GLU A 22 5.736 -12.333 -3.304 1.00 0.00 O ATOM 314 OE2 GLU A 22 4.326 -10.620 -3.206 1.00 0.00 O ATOM 0 H GLU A 22 5.321 -14.093 -4.177 1.00 0.00 H new ATOM 0 HA GLU A 22 3.033 -13.349 -5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.070 -13.152 -5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.049 -12.560 -7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.667 -10.722 -5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.939 -10.998 -5.620 1.00 0.00 H new ATOM 321 N GLU A 23 3.075 -15.888 -6.578 1.00 0.00 N ATOM 322 CA GLU A 23 2.777 -16.979 -7.491 1.00 0.00 C ATOM 323 C GLU A 23 1.711 -16.495 -8.477 1.00 0.00 C ATOM 324 O GLU A 23 1.868 -16.627 -9.688 1.00 0.00 O ATOM 325 CB GLU A 23 2.288 -18.193 -6.689 1.00 0.00 C ATOM 326 CG GLU A 23 3.361 -18.697 -5.713 1.00 0.00 C ATOM 327 CD GLU A 23 2.848 -19.868 -4.883 1.00 0.00 C ATOM 328 OE1 GLU A 23 2.783 -20.979 -5.451 1.00 0.00 O ATOM 329 OE2 GLU A 23 2.522 -19.628 -3.700 1.00 0.00 O ATOM 0 H GLU A 23 2.554 -15.953 -5.703 1.00 0.00 H new ATOM 0 HA GLU A 23 3.665 -17.281 -8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.389 -17.925 -6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.013 -18.995 -7.374 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.247 -19.003 -6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.665 -17.885 -5.052 1.00 0.00 H new ATOM 336 N HIS A 24 0.617 -15.955 -7.932 1.00 0.00 N ATOM 337 CA HIS A 24 -0.494 -15.380 -8.674 1.00 0.00 C ATOM 338 C HIS A 24 -1.275 -14.462 -7.727 1.00 0.00 C ATOM 339 O HIS A 24 -2.330 -14.846 -7.224 1.00 0.00 O ATOM 340 CB HIS A 24 -1.381 -16.492 -9.250 1.00 0.00 C ATOM 341 CG HIS A 24 -2.593 -15.969 -9.980 1.00 0.00 C ATOM 342 ND1 HIS A 24 -3.747 -16.741 -10.107 1.00 0.00 N ATOM 343 CD2 HIS A 24 -2.806 -14.750 -10.572 1.00 0.00 C ATOM 344 CE1 HIS A 24 -4.614 -15.952 -10.748 1.00 0.00 C ATOM 345 NE2 HIS A 24 -4.096 -14.755 -11.055 1.00 0.00 N ATOM 0 H HIS A 24 0.482 -15.908 -6.922 1.00 0.00 H new ATOM 0 HA HIS A 24 -0.131 -14.795 -9.519 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -0.790 -17.102 -9.932 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -1.707 -17.144 -8.440 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -2.096 -13.939 -10.646 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -5.624 -16.247 -10.992 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.565 -13.996 -11.549 1.00 0.00 H new ATOM 353 N LYS A 25 -0.738 -13.272 -7.427 1.00 0.00 N ATOM 354 CA LYS A 25 -1.378 -12.332 -6.510 1.00 0.00 C ATOM 355 C LYS A 25 -1.099 -10.876 -6.912 1.00 0.00 C ATOM 356 O LYS A 25 -0.007 -10.565 -7.397 1.00 0.00 O ATOM 357 CB LYS A 25 -0.874 -12.537 -5.071 1.00 0.00 C ATOM 358 CG LYS A 25 -0.672 -14.012 -4.685 1.00 0.00 C ATOM 359 CD LYS A 25 -0.099 -14.207 -3.281 1.00 0.00 C ATOM 360 CE LYS A 25 -1.014 -13.706 -2.169 1.00 0.00 C ATOM 361 NZ LYS A 25 -0.542 -14.173 -0.856 1.00 0.00 N ATOM 0 H LYS A 25 0.146 -12.940 -7.812 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.449 -12.526 -6.562 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.071 -12.007 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.585 -12.085 -4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.628 -14.530 -4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.004 -14.480 -5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.101 -15.267 -3.124 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.857 -13.688 -3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.048 -12.617 -2.182 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.031 -14.058 -2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.985 -13.605 -0.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.798 -15.173 -0.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.492 -14.071 -0.802 1.00 0.00 H new ATOM 375 N PRO A 26 -2.067 -9.970 -6.700 1.00 0.00 N ATOM 376 CA PRO A 26 -1.892 -8.550 -6.956 1.00 0.00 C ATOM 377 C PRO A 26 -1.110 -7.852 -5.836 1.00 0.00 C ATOM 378 O PRO A 26 -1.481 -7.945 -4.663 1.00 0.00 O ATOM 379 CB PRO A 26 -3.313 -7.986 -7.060 1.00 0.00 C ATOM 380 CG PRO A 26 -4.085 -8.889 -6.099 1.00 0.00 C ATOM 381 CD PRO A 26 -3.457 -10.255 -6.361 1.00 0.00 C ATOM 0 HA PRO A 26 -1.310 -8.384 -7.863 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.359 -6.939 -6.761 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.702 -8.045 -8.077 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -3.963 -8.578 -5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.155 -8.886 -6.309 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.526 -10.897 -5.483 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.964 -10.773 -7.175 1.00 0.00 H new ATOM 389 N ILE A 27 -0.038 -7.140 -6.194 1.00 0.00 N ATOM 390 CA ILE A 27 0.666 -6.253 -5.280 1.00 0.00 C ATOM 391 C ILE A 27 0.081 -4.875 -5.560 1.00 0.00 C ATOM 392 O ILE A 27 0.159 -4.412 -6.698 1.00 0.00 O ATOM 393 CB ILE A 27 2.186 -6.253 -5.494 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.788 -7.651 -5.300 1.00 0.00 C ATOM 395 CG2 ILE A 27 2.837 -5.266 -4.510 1.00 0.00 C ATOM 396 CD1 ILE A 27 4.140 -7.745 -6.010 1.00 0.00 C ATOM 0 H ILE A 27 0.363 -7.167 -7.131 1.00 0.00 H new ATOM 0 HA ILE A 27 0.533 -6.574 -4.247 1.00 0.00 H new ATOM 0 HB ILE A 27 2.384 -5.947 -6.521 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.912 -7.858 -4.237 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.108 -8.406 -5.695 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.917 -5.263 -4.659 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.444 -4.265 -4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.612 -5.570 -3.488 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.558 -8.741 -5.866 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.005 -7.559 -7.075 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.821 -7.002 -5.595 1.00 0.00 H new ATOM 408 N VAL A 28 -0.507 -4.228 -4.555 1.00 0.00 N ATOM 409 CA VAL A 28 -1.166 -2.938 -4.705 1.00 0.00 C ATOM 410 C VAL A 28 -0.340 -1.912 -3.937 1.00 0.00 C ATOM 411 O VAL A 28 -0.184 -2.034 -2.720 1.00 0.00 O ATOM 412 CB VAL A 28 -2.613 -3.021 -4.191 1.00 0.00 C ATOM 413 CG1 VAL A 28 -3.345 -1.706 -4.480 1.00 0.00 C ATOM 414 CG2 VAL A 28 -3.381 -4.156 -4.879 1.00 0.00 C ATOM 0 H VAL A 28 -0.538 -4.592 -3.603 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.225 -2.641 -5.752 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.572 -3.211 -3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.369 -1.772 -4.113 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.832 -0.886 -3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.355 -1.524 -5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.401 -4.190 -4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.404 -3.980 -5.955 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.885 -5.105 -4.677 1.00 0.00 H new ATOM 424 N VAL A 29 0.185 -0.907 -4.640 1.00 0.00 N ATOM 425 CA VAL A 29 1.074 0.081 -4.052 1.00 0.00 C ATOM 426 C VAL A 29 0.385 1.431 -3.879 1.00 0.00 C ATOM 427 O VAL A 29 0.010 2.048 -4.875 1.00 0.00 O ATOM 428 CB VAL A 29 2.315 0.278 -4.934 1.00 0.00 C ATOM 429 CG1 VAL A 29 3.394 0.937 -4.071 1.00 0.00 C ATOM 430 CG2 VAL A 29 2.840 -1.029 -5.530 1.00 0.00 C ATOM 0 H VAL A 29 0.002 -0.760 -5.633 1.00 0.00 H new ATOM 0 HA VAL A 29 1.363 -0.297 -3.071 1.00 0.00 H new ATOM 0 HB VAL A 29 2.043 0.905 -5.783 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.293 1.092 -4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.031 1.897 -3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.628 0.291 -3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.717 -0.823 -6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.112 -1.712 -4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.065 -1.485 -6.147 1.00 0.00 H new ATOM 440 N ASP A 30 0.256 1.906 -2.637 1.00 0.00 N ATOM 441 CA ASP A 30 -0.215 3.250 -2.331 1.00 0.00 C ATOM 442 C ASP A 30 1.008 4.158 -2.339 1.00 0.00 C ATOM 443 O ASP A 30 1.643 4.350 -1.300 1.00 0.00 O ATOM 444 CB ASP A 30 -0.917 3.296 -0.967 1.00 0.00 C ATOM 445 CG ASP A 30 -1.180 4.720 -0.478 1.00 0.00 C ATOM 446 OD1 ASP A 30 -1.422 5.591 -1.340 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.142 4.914 0.757 1.00 0.00 O ATOM 0 H ASP A 30 0.480 1.356 -1.808 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.948 3.575 -3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.864 2.760 -1.034 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.305 2.773 -0.232 1.00 0.00 H new ATOM 452 N PHE A 31 1.359 4.673 -3.518 1.00 0.00 N ATOM 453 CA PHE A 31 2.439 5.627 -3.681 1.00 0.00 C ATOM 454 C PHE A 31 1.849 7.006 -3.399 1.00 0.00 C ATOM 455 O PHE A 31 1.281 7.624 -4.297 1.00 0.00 O ATOM 456 CB PHE A 31 2.998 5.561 -5.105 1.00 0.00 C ATOM 457 CG PHE A 31 3.908 4.391 -5.417 1.00 0.00 C ATOM 458 CD1 PHE A 31 5.250 4.438 -4.997 1.00 0.00 C ATOM 459 CD2 PHE A 31 3.508 3.420 -6.355 1.00 0.00 C ATOM 460 CE1 PHE A 31 6.203 3.580 -5.568 1.00 0.00 C ATOM 461 CE2 PHE A 31 4.465 2.566 -6.934 1.00 0.00 C ATOM 462 CZ PHE A 31 5.815 2.660 -6.558 1.00 0.00 C ATOM 0 H PHE A 31 0.892 4.432 -4.392 1.00 0.00 H new ATOM 0 HA PHE A 31 3.262 5.409 -3.001 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.159 5.537 -5.801 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.547 6.482 -5.300 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.549 5.138 -4.231 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.467 3.331 -6.630 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.233 3.626 -5.247 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.160 1.836 -7.670 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.553 2.027 -7.028 1.00 0.00 H new ATOM 472 N THR A 32 1.960 7.477 -2.157 1.00 0.00 N ATOM 473 CA THR A 32 1.458 8.777 -1.735 1.00 0.00 C ATOM 474 C THR A 32 2.641 9.628 -1.267 1.00 0.00 C ATOM 475 O THR A 32 3.787 9.193 -1.362 1.00 0.00 O ATOM 476 CB THR A 32 0.346 8.582 -0.689 1.00 0.00 C ATOM 477 OG1 THR A 32 -0.152 9.833 -0.261 1.00 0.00 O ATOM 478 CG2 THR A 32 0.817 7.810 0.541 1.00 0.00 C ATOM 0 H THR A 32 2.410 6.954 -1.406 1.00 0.00 H new ATOM 0 HA THR A 32 0.992 9.323 -2.555 1.00 0.00 H new ATOM 0 HB THR A 32 -0.433 8.000 -1.182 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.001 9.703 0.211 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.010 7.704 1.243 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.166 6.822 0.239 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.632 8.352 1.020 1.00 0.00 H new ATOM 486 N ALA A 33 2.372 10.847 -0.798 1.00 0.00 N ATOM 487 CA ALA A 33 3.374 11.804 -0.345 1.00 0.00 C ATOM 488 C ALA A 33 3.012 12.278 1.058 1.00 0.00 C ATOM 489 O ALA A 33 2.014 12.974 1.223 1.00 0.00 O ATOM 490 CB ALA A 33 3.439 12.986 -1.315 1.00 0.00 C ATOM 0 H ALA A 33 1.419 11.204 -0.722 1.00 0.00 H new ATOM 0 HA ALA A 33 4.355 11.330 -0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.189 13.698 -0.971 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.708 12.627 -2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.466 13.476 -1.357 1.00 0.00 H new ATOM 496 N THR A 34 3.826 11.924 2.054 1.00 0.00 N ATOM 497 CA THR A 34 3.633 12.284 3.457 1.00 0.00 C ATOM 498 C THR A 34 3.221 13.747 3.631 1.00 0.00 C ATOM 499 O THR A 34 2.191 14.047 4.228 1.00 0.00 O ATOM 500 CB THR A 34 4.947 12.019 4.208 1.00 0.00 C ATOM 501 OG1 THR A 34 6.039 12.319 3.353 1.00 0.00 O ATOM 502 CG2 THR A 34 5.002 10.558 4.651 1.00 0.00 C ATOM 0 H THR A 34 4.663 11.362 1.900 1.00 0.00 H new ATOM 0 HA THR A 34 2.822 11.677 3.861 1.00 0.00 H new ATOM 0 HB THR A 34 5.002 12.652 5.094 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.620 11.533 3.276 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.935 10.374 5.183 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.160 10.346 5.310 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.950 9.910 3.776 1.00 0.00 H new ATOM 510 N TRP A 35 4.044 14.660 3.119 1.00 0.00 N ATOM 511 CA TRP A 35 3.809 16.093 3.228 1.00 0.00 C ATOM 512 C TRP A 35 2.462 16.514 2.628 1.00 0.00 C ATOM 513 O TRP A 35 1.854 17.478 3.098 1.00 0.00 O ATOM 514 CB TRP A 35 4.977 16.841 2.579 1.00 0.00 C ATOM 515 CG TRP A 35 5.442 16.348 1.241 1.00 0.00 C ATOM 516 CD1 TRP A 35 6.485 15.509 1.042 1.00 0.00 C ATOM 517 CD2 TRP A 35 4.929 16.661 -0.089 1.00 0.00 C ATOM 518 NE1 TRP A 35 6.699 15.343 -0.308 1.00 0.00 N ATOM 519 CE2 TRP A 35 5.747 16.003 -1.055 1.00 0.00 C ATOM 520 CE3 TRP A 35 3.864 17.446 -0.584 1.00 0.00 C ATOM 521 CZ2 TRP A 35 5.519 16.111 -2.434 1.00 0.00 C ATOM 522 CZ3 TRP A 35 3.616 17.548 -1.966 1.00 0.00 C ATOM 523 CH2 TRP A 35 4.436 16.878 -2.890 1.00 0.00 C ATOM 0 H TRP A 35 4.898 14.422 2.614 1.00 0.00 H new ATOM 0 HA TRP A 35 3.755 16.355 4.285 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.692 17.888 2.474 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.823 16.808 3.265 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.063 15.040 1.825 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.466 14.800 -0.705 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.229 17.977 0.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.169 15.610 -3.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.789 18.146 -2.319 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.233 16.953 -3.948 1.00 0.00 H new ATOM 534 N CYS A 36 1.973 15.823 1.595 1.00 0.00 N ATOM 535 CA CYS A 36 0.688 16.161 1.004 1.00 0.00 C ATOM 536 C CYS A 36 -0.413 15.622 1.918 1.00 0.00 C ATOM 537 O CYS A 36 -0.911 14.520 1.716 1.00 0.00 O ATOM 538 CB CYS A 36 0.572 15.594 -0.412 1.00 0.00 C ATOM 539 SG CYS A 36 -1.094 15.742 -1.102 1.00 0.00 S ATOM 0 H CYS A 36 2.448 15.033 1.158 1.00 0.00 H new ATOM 0 HA CYS A 36 0.589 17.243 0.915 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.276 16.112 -1.063 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.862 14.543 -0.401 1.00 0.00 H new ATOM 544 N GLY A 37 -0.791 16.406 2.931 1.00 0.00 N ATOM 545 CA GLY A 37 -1.842 16.076 3.894 1.00 0.00 C ATOM 546 C GLY A 37 -3.018 15.311 3.264 1.00 0.00 C ATOM 547 O GLY A 37 -3.301 14.189 3.680 1.00 0.00 O ATOM 0 H GLY A 37 -0.361 17.314 3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.415 15.476 4.698 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.215 16.995 4.346 1.00 0.00 H new ATOM 551 N PRO A 38 -3.707 15.876 2.259 1.00 0.00 N ATOM 552 CA PRO A 38 -4.806 15.206 1.574 1.00 0.00 C ATOM 553 C PRO A 38 -4.425 13.821 1.045 1.00 0.00 C ATOM 554 O PRO A 38 -5.198 12.871 1.148 1.00 0.00 O ATOM 555 CB PRO A 38 -5.211 16.150 0.438 1.00 0.00 C ATOM 556 CG PRO A 38 -4.824 17.526 0.980 1.00 0.00 C ATOM 557 CD PRO A 38 -3.543 17.231 1.758 1.00 0.00 C ATOM 0 HA PRO A 38 -5.629 15.015 2.263 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.684 15.918 -0.487 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.277 16.087 0.221 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.654 18.244 0.178 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.601 17.942 1.621 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.665 17.311 1.117 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.406 17.939 2.575 1.00 0.00 H new ATOM 565 N CYS A 39 -3.221 13.705 0.485 1.00 0.00 N ATOM 566 CA CYS A 39 -2.710 12.456 -0.057 1.00 0.00 C ATOM 567 C CYS A 39 -2.452 11.484 1.096 1.00 0.00 C ATOM 568 O CYS A 39 -2.644 10.275 0.948 1.00 0.00 O ATOM 569 CB CYS A 39 -1.415 12.665 -0.856 1.00 0.00 C ATOM 570 SG CYS A 39 -1.335 13.949 -2.133 1.00 0.00 S ATOM 0 H CYS A 39 -2.570 14.486 0.396 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.455 12.050 -0.741 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.621 12.872 -0.138 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.173 11.716 -1.335 1.00 0.00 H new ATOM 575 N LYS A 40 -1.986 11.998 2.239 1.00 0.00 N ATOM 576 CA LYS A 40 -1.729 11.200 3.426 1.00 0.00 C ATOM 577 C LYS A 40 -3.045 10.625 3.946 1.00 0.00 C ATOM 578 O LYS A 40 -3.119 9.434 4.224 1.00 0.00 O ATOM 579 CB LYS A 40 -1.028 12.041 4.506 1.00 0.00 C ATOM 580 CG LYS A 40 -0.467 11.152 5.628 1.00 0.00 C ATOM 581 CD LYS A 40 -0.231 11.934 6.928 1.00 0.00 C ATOM 582 CE LYS A 40 0.781 13.068 6.748 1.00 0.00 C ATOM 583 NZ LYS A 40 1.049 13.761 8.019 1.00 0.00 N ATOM 0 H LYS A 40 -1.777 12.989 2.360 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.063 10.377 3.168 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.219 12.615 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.733 12.759 4.926 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.160 10.333 5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.472 10.705 5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.177 12.347 7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.125 11.252 7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.712 12.666 6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.402 13.782 6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.739 14.523 7.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.164 14.166 8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.433 13.084 8.709 1.00 0.00 H new ATOM 597 N MET A 41 -4.085 11.454 4.063 1.00 0.00 N ATOM 598 CA MET A 41 -5.397 11.051 4.581 1.00 0.00 C ATOM 599 C MET A 41 -6.045 9.921 3.782 1.00 0.00 C ATOM 600 O MET A 41 -6.915 9.225 4.300 1.00 0.00 O ATOM 601 CB MET A 41 -6.324 12.271 4.644 1.00 0.00 C ATOM 602 CG MET A 41 -5.865 13.227 5.748 1.00 0.00 C ATOM 603 SD MET A 41 -7.057 14.498 6.245 1.00 0.00 S ATOM 604 CE MET A 41 -7.113 15.502 4.746 1.00 0.00 C ATOM 0 H MET A 41 -4.040 12.438 3.797 1.00 0.00 H new ATOM 0 HA MET A 41 -5.236 10.654 5.583 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.325 12.786 3.684 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.348 11.949 4.834 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.605 12.637 6.627 1.00 0.00 H new ATOM 0 HG3 MET A 41 -4.953 13.723 5.416 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.806 16.331 4.889 1.00 0.00 H new ATOM 0 HE2 MET A 41 -6.118 15.893 4.533 1.00 0.00 H new ATOM 0 HE3 MET A 41 -7.449 14.889 3.910 1.00 0.00 H new ATOM 614 N ILE A 42 -5.624 9.705 2.542 1.00 0.00 N ATOM 615 CA ILE A 42 -6.124 8.591 1.746 1.00 0.00 C ATOM 616 C ILE A 42 -5.433 7.282 2.178 1.00 0.00 C ATOM 617 O ILE A 42 -6.005 6.201 2.029 1.00 0.00 O ATOM 618 CB ILE A 42 -5.963 8.943 0.257 1.00 0.00 C ATOM 619 CG1 ILE A 42 -7.002 10.036 -0.071 1.00 0.00 C ATOM 620 CG2 ILE A 42 -6.187 7.707 -0.621 1.00 0.00 C ATOM 621 CD1 ILE A 42 -6.759 10.725 -1.413 1.00 0.00 C ATOM 0 H ILE A 42 -4.936 10.288 2.065 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.187 8.420 1.914 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.953 9.301 0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.997 9.591 -0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.991 10.785 0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.068 7.979 -1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.459 6.939 -0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.194 7.322 -0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.527 11.481 -1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.778 11.200 -1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.799 9.986 -2.214 1.00 0.00 H new ATOM 633 N ALA A 43 -4.229 7.350 2.752 1.00 0.00 N ATOM 634 CA ALA A 43 -3.508 6.168 3.215 1.00 0.00 C ATOM 635 C ALA A 43 -4.329 5.329 4.215 1.00 0.00 C ATOM 636 O ALA A 43 -4.443 4.126 3.994 1.00 0.00 O ATOM 637 CB ALA A 43 -2.150 6.562 3.802 1.00 0.00 C ATOM 0 H ALA A 43 -3.730 8.226 2.907 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.339 5.532 2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.627 5.668 4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.555 7.062 3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.300 7.237 4.645 1.00 0.00 H new ATOM 643 N PRO A 44 -4.909 5.872 5.306 1.00 0.00 N ATOM 644 CA PRO A 44 -5.722 5.076 6.218 1.00 0.00 C ATOM 645 C PRO A 44 -6.924 4.454 5.502 1.00 0.00 C ATOM 646 O PRO A 44 -7.293 3.319 5.801 1.00 0.00 O ATOM 647 CB PRO A 44 -6.135 5.998 7.369 1.00 0.00 C ATOM 648 CG PRO A 44 -5.973 7.395 6.784 1.00 0.00 C ATOM 649 CD PRO A 44 -4.798 7.224 5.823 1.00 0.00 C ATOM 0 HA PRO A 44 -5.155 4.230 6.607 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.162 5.812 7.683 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.502 5.854 8.245 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.874 7.724 6.267 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.760 8.135 7.556 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.841 7.956 5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.848 7.370 6.336 1.00 0.00 H new ATOM 657 N LEU A 45 -7.530 5.169 4.550 1.00 0.00 N ATOM 658 CA LEU A 45 -8.641 4.615 3.775 1.00 0.00 C ATOM 659 C LEU A 45 -8.151 3.372 3.029 1.00 0.00 C ATOM 660 O LEU A 45 -8.750 2.297 3.102 1.00 0.00 O ATOM 661 CB LEU A 45 -9.192 5.647 2.779 1.00 0.00 C ATOM 662 CG LEU A 45 -9.782 6.907 3.434 1.00 0.00 C ATOM 663 CD1 LEU A 45 -10.325 7.833 2.339 1.00 0.00 C ATOM 664 CD2 LEU A 45 -10.912 6.583 4.419 1.00 0.00 C ATOM 0 H LEU A 45 -7.272 6.124 4.300 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.450 4.348 4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.391 5.945 2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.963 5.173 2.172 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.983 7.389 3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.745 8.729 2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.515 8.114 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.101 7.315 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.293 7.508 4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.717 6.070 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.530 5.940 5.212 1.00 0.00 H new ATOM 676 N PHE A 46 -7.033 3.526 2.320 1.00 0.00 N ATOM 677 CA PHE A 46 -6.395 2.436 1.604 1.00 0.00 C ATOM 678 C PHE A 46 -6.088 1.294 2.573 1.00 0.00 C ATOM 679 O PHE A 46 -6.392 0.152 2.257 1.00 0.00 O ATOM 680 CB PHE A 46 -5.144 2.980 0.910 1.00 0.00 C ATOM 681 CG PHE A 46 -4.278 1.936 0.228 1.00 0.00 C ATOM 682 CD1 PHE A 46 -3.280 1.268 0.964 1.00 0.00 C ATOM 683 CD2 PHE A 46 -4.393 1.702 -1.153 1.00 0.00 C ATOM 684 CE1 PHE A 46 -2.383 0.398 0.318 1.00 0.00 C ATOM 685 CE2 PHE A 46 -3.499 0.832 -1.798 1.00 0.00 C ATOM 686 CZ PHE A 46 -2.476 0.197 -1.071 1.00 0.00 C ATOM 0 H PHE A 46 -6.546 4.418 2.230 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.054 2.027 0.838 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.451 3.716 0.167 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.538 3.506 1.648 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.203 1.425 2.030 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.171 2.192 -1.720 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.623 -0.115 0.888 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.598 0.650 -2.858 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.766 -0.441 -1.576 1.00 0.00 H new ATOM 696 N GLU A 47 -5.525 1.568 3.755 1.00 0.00 N ATOM 697 CA GLU A 47 -5.258 0.533 4.752 1.00 0.00 C ATOM 698 C GLU A 47 -6.560 -0.174 5.144 1.00 0.00 C ATOM 699 O GLU A 47 -6.587 -1.398 5.261 1.00 0.00 O ATOM 700 CB GLU A 47 -4.572 1.127 5.993 1.00 0.00 C ATOM 701 CG GLU A 47 -3.052 0.901 5.979 1.00 0.00 C ATOM 702 CD GLU A 47 -2.660 -0.564 6.190 1.00 0.00 C ATOM 703 OE1 GLU A 47 -3.320 -1.227 7.023 1.00 0.00 O ATOM 704 OE2 GLU A 47 -1.696 -0.999 5.522 1.00 0.00 O ATOM 0 H GLU A 47 -5.245 2.506 4.043 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.581 -0.199 4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.778 2.196 6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.996 0.678 6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.648 1.245 5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.593 1.509 6.758 1.00 0.00 H new ATOM 711 N THR A 48 -7.644 0.576 5.355 1.00 0.00 N ATOM 712 CA THR A 48 -8.932 -0.018 5.695 1.00 0.00 C ATOM 713 C THR A 48 -9.299 -1.038 4.611 1.00 0.00 C ATOM 714 O THR A 48 -9.627 -2.182 4.922 1.00 0.00 O ATOM 715 CB THR A 48 -10.002 1.073 5.866 1.00 0.00 C ATOM 716 OG1 THR A 48 -9.557 2.047 6.790 1.00 0.00 O ATOM 717 CG2 THR A 48 -11.307 0.481 6.406 1.00 0.00 C ATOM 0 H THR A 48 -7.652 1.594 5.296 1.00 0.00 H new ATOM 0 HA THR A 48 -8.872 -0.538 6.651 1.00 0.00 H new ATOM 0 HB THR A 48 -10.175 1.519 4.887 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.828 2.567 6.392 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.047 1.273 6.518 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.681 -0.270 5.710 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.123 0.017 7.375 1.00 0.00 H new ATOM 725 N LEU A 49 -9.195 -0.645 3.336 1.00 0.00 N ATOM 726 CA LEU A 49 -9.445 -1.560 2.225 1.00 0.00 C ATOM 727 C LEU A 49 -8.462 -2.735 2.283 1.00 0.00 C ATOM 728 O LEU A 49 -8.841 -3.891 2.110 1.00 0.00 O ATOM 729 CB LEU A 49 -9.297 -0.805 0.895 1.00 0.00 C ATOM 730 CG LEU A 49 -9.738 -1.601 -0.338 1.00 0.00 C ATOM 731 CD1 LEU A 49 -11.260 -1.776 -0.325 1.00 0.00 C ATOM 732 CD2 LEU A 49 -9.329 -0.833 -1.599 1.00 0.00 C ATOM 0 H LEU A 49 -8.939 0.301 3.052 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.459 -1.952 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.880 0.114 0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.254 -0.514 0.771 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.263 -2.582 -0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.569 -2.342 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.557 -2.313 0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.739 -0.797 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.639 -1.392 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.810 0.145 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.247 -0.705 -1.612 1.00 0.00 H new ATOM 744 N SER A 50 -7.189 -2.439 2.543 1.00 0.00 N ATOM 745 CA SER A 50 -6.124 -3.421 2.570 1.00 0.00 C ATOM 746 C SER A 50 -6.438 -4.559 3.529 1.00 0.00 C ATOM 747 O SER A 50 -6.297 -5.729 3.179 1.00 0.00 O ATOM 748 CB SER A 50 -4.786 -2.774 2.931 1.00 0.00 C ATOM 749 OG SER A 50 -4.430 -1.727 2.050 1.00 0.00 O ATOM 0 H SER A 50 -6.871 -1.491 2.743 1.00 0.00 H new ATOM 0 HA SER A 50 -6.045 -3.838 1.566 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.838 -2.385 3.948 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.005 -3.534 2.920 1.00 0.00 H new ATOM 0 HG SER A 50 -4.217 -2.099 1.169 1.00 0.00 H new ATOM 755 N ASN A 51 -6.878 -4.218 4.740 1.00 0.00 N ATOM 756 CA ASN A 51 -7.169 -5.228 5.745 1.00 0.00 C ATOM 757 C ASN A 51 -8.383 -6.083 5.350 1.00 0.00 C ATOM 758 O ASN A 51 -8.582 -7.128 5.963 1.00 0.00 O ATOM 759 CB ASN A 51 -7.318 -4.581 7.131 1.00 0.00 C ATOM 760 CG ASN A 51 -5.968 -4.087 7.664 1.00 0.00 C ATOM 761 OD1 ASN A 51 -5.209 -4.831 8.289 1.00 0.00 O ATOM 762 ND2 ASN A 51 -5.625 -2.833 7.389 1.00 0.00 N ATOM 0 H ASN A 51 -7.038 -3.257 5.043 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.325 -5.915 5.802 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.015 -3.745 7.071 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.744 -5.303 7.828 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.722 -2.472 7.696 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.265 -2.231 6.871 1.00 0.00 H new ATOM 769 N ASP A 52 -9.178 -5.692 4.340 1.00 0.00 N ATOM 770 CA ASP A 52 -10.286 -6.519 3.873 1.00 0.00 C ATOM 771 C ASP A 52 -9.721 -7.685 3.058 1.00 0.00 C ATOM 772 O ASP A 52 -9.799 -8.834 3.486 1.00 0.00 O ATOM 773 CB ASP A 52 -11.283 -5.693 3.049 1.00 0.00 C ATOM 774 CG ASP A 52 -12.426 -6.565 2.547 1.00 0.00 C ATOM 775 OD1 ASP A 52 -13.372 -6.770 3.336 1.00 0.00 O ATOM 776 OD2 ASP A 52 -12.327 -7.012 1.384 1.00 0.00 O ATOM 0 H ASP A 52 -9.069 -4.811 3.838 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.833 -6.911 4.730 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.680 -4.881 3.658 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.771 -5.235 2.203 1.00 0.00 H new ATOM 781 N TYR A 53 -9.082 -7.410 1.915 1.00 0.00 N ATOM 782 CA TYR A 53 -8.512 -8.444 1.058 1.00 0.00 C ATOM 783 C TYR A 53 -7.141 -8.894 1.591 1.00 0.00 C ATOM 784 O TYR A 53 -6.212 -9.137 0.813 1.00 0.00 O ATOM 785 CB TYR A 53 -8.329 -7.899 -0.363 1.00 0.00 C ATOM 786 CG TYR A 53 -9.498 -7.247 -1.072 1.00 0.00 C ATOM 787 CD1 TYR A 53 -9.715 -5.868 -0.888 1.00 0.00 C ATOM 788 CD2 TYR A 53 -10.019 -7.876 -2.218 1.00 0.00 C ATOM 789 CE1 TYR A 53 -10.457 -5.133 -1.826 1.00 0.00 C ATOM 790 CE2 TYR A 53 -10.760 -7.139 -3.158 1.00 0.00 C ATOM 791 CZ TYR A 53 -11.031 -5.780 -2.933 1.00 0.00 C ATOM 792 OH TYR A 53 -11.705 -5.063 -3.873 1.00 0.00 O ATOM 0 H TYR A 53 -8.948 -6.462 1.562 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.195 -9.294 1.050 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.520 -7.170 -0.330 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.989 -8.725 -0.987 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -9.308 -5.372 -0.019 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -9.849 -8.931 -2.376 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -10.587 -4.069 -1.696 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -11.122 -7.619 -4.055 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.328 -4.160 -3.928 1.00 0.00 H new ATOM 802 N ALA A 54 -6.994 -8.990 2.912 1.00 0.00 N ATOM 803 CA ALA A 54 -5.718 -9.300 3.527 1.00 0.00 C ATOM 804 C ALA A 54 -5.206 -10.665 3.064 1.00 0.00 C ATOM 805 O ALA A 54 -5.983 -11.564 2.741 1.00 0.00 O ATOM 806 CB ALA A 54 -5.867 -9.275 5.050 1.00 0.00 C ATOM 0 H ALA A 54 -7.756 -8.855 3.577 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.989 -8.549 3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.908 -9.508 5.513 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.192 -8.284 5.368 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.607 -10.015 5.355 1.00 0.00 H new ATOM 812 N GLY A 55 -3.882 -10.825 3.034 1.00 0.00 N ATOM 813 CA GLY A 55 -3.246 -12.073 2.651 1.00 0.00 C ATOM 814 C GLY A 55 -3.279 -12.271 1.137 1.00 0.00 C ATOM 815 O GLY A 55 -2.223 -12.310 0.510 1.00 0.00 O ATOM 0 H GLY A 55 -3.223 -10.085 3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.213 -12.079 2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.751 -12.906 3.140 1.00 0.00 H new ATOM 819 N LYS A 56 -4.474 -12.406 0.550 1.00 0.00 N ATOM 820 CA LYS A 56 -4.619 -12.626 -0.883 1.00 0.00 C ATOM 821 C LYS A 56 -4.014 -11.459 -1.662 1.00 0.00 C ATOM 822 O LYS A 56 -3.270 -11.681 -2.613 1.00 0.00 O ATOM 823 CB LYS A 56 -6.097 -12.834 -1.253 1.00 0.00 C ATOM 824 CG LYS A 56 -6.348 -12.894 -2.773 1.00 0.00 C ATOM 825 CD LYS A 56 -5.509 -13.957 -3.505 1.00 0.00 C ATOM 826 CE LYS A 56 -5.761 -13.886 -5.018 1.00 0.00 C ATOM 827 NZ LYS A 56 -4.948 -14.866 -5.764 1.00 0.00 N ATOM 0 H LYS A 56 -5.359 -12.365 1.056 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.078 -13.532 -1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.451 -13.759 -0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.688 -12.023 -0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.405 -13.096 -2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.134 -11.916 -3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.450 -13.800 -3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.763 -14.950 -3.133 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.817 -14.066 -5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.535 -12.881 -5.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.491 -15.219 -6.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.076 -14.409 -6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.703 -15.661 -5.140 1.00 0.00 H new ATOM 841 N VAL A 57 -4.354 -10.220 -1.305 1.00 0.00 N ATOM 842 CA VAL A 57 -3.801 -9.059 -1.985 1.00 0.00 C ATOM 843 C VAL A 57 -2.618 -8.559 -1.153 1.00 0.00 C ATOM 844 O VAL A 57 -2.713 -8.476 0.072 1.00 0.00 O ATOM 845 CB VAL A 57 -4.905 -8.013 -2.170 1.00 0.00 C ATOM 846 CG1 VAL A 57 -4.360 -6.733 -2.813 1.00 0.00 C ATOM 847 CG2 VAL A 57 -6.078 -8.557 -2.998 1.00 0.00 C ATOM 0 H VAL A 57 -5.006 -10.000 -0.552 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.434 -9.296 -2.983 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.276 -7.773 -1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.169 -6.012 -2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.584 -6.308 -2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.939 -6.968 -3.791 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.838 -7.783 -3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.721 -8.853 -3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.509 -9.422 -2.494 1.00 0.00 H new ATOM 857 N ILE A 58 -1.492 -8.257 -1.807 1.00 0.00 N ATOM 858 CA ILE A 58 -0.284 -7.797 -1.132 1.00 0.00 C ATOM 859 C ILE A 58 -0.304 -6.268 -1.153 1.00 0.00 C ATOM 860 O ILE A 58 0.038 -5.655 -2.163 1.00 0.00 O ATOM 861 CB ILE A 58 0.952 -8.404 -1.831 1.00 0.00 C ATOM 862 CG1 ILE A 58 0.888 -9.943 -1.888 1.00 0.00 C ATOM 863 CG2 ILE A 58 2.251 -7.944 -1.151 1.00 0.00 C ATOM 864 CD1 ILE A 58 0.764 -10.634 -0.528 1.00 0.00 C ATOM 0 H ILE A 58 -1.397 -8.326 -2.820 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.238 -8.123 -0.093 1.00 0.00 H new ATOM 0 HB ILE A 58 0.948 -8.038 -2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.038 -10.234 -2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.785 -10.311 -2.386 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.106 -8.386 -1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.322 -6.857 -1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.248 -8.262 -0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.726 -11.714 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.626 -10.380 0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.148 -10.301 -0.033 1.00 0.00 H new ATOM 876 N PHE A 59 -0.725 -5.631 -0.059 1.00 0.00 N ATOM 877 CA PHE A 59 -0.814 -4.176 -0.027 1.00 0.00 C ATOM 878 C PHE A 59 0.473 -3.576 0.483 1.00 0.00 C ATOM 879 O PHE A 59 1.116 -4.116 1.383 1.00 0.00 O ATOM 880 CB PHE A 59 -2.007 -3.719 0.798 1.00 0.00 C ATOM 881 CG PHE A 59 -3.328 -4.134 0.193 1.00 0.00 C ATOM 882 CD1 PHE A 59 -3.880 -5.381 0.523 1.00 0.00 C ATOM 883 CD2 PHE A 59 -4.045 -3.245 -0.629 1.00 0.00 C ATOM 884 CE1 PHE A 59 -5.200 -5.673 0.163 1.00 0.00 C ATOM 885 CE2 PHE A 59 -5.326 -3.590 -1.090 1.00 0.00 C ATOM 886 CZ PHE A 59 -5.911 -4.802 -0.683 1.00 0.00 C ATOM 0 H PHE A 59 -1.006 -6.095 0.805 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.968 -3.820 -1.046 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.927 -4.131 1.804 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.982 -2.634 0.895 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.288 -6.113 1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.610 -2.296 -0.906 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.674 -6.569 0.535 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.860 -2.927 -1.755 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.904 -5.064 -1.019 1.00 0.00 H new ATOM 896 N LEU A 60 0.825 -2.436 -0.110 1.00 0.00 N ATOM 897 CA LEU A 60 2.109 -1.821 0.100 1.00 0.00 C ATOM 898 C LEU A 60 1.989 -0.301 0.175 1.00 0.00 C ATOM 899 O LEU A 60 1.702 0.361 -0.818 1.00 0.00 O ATOM 900 CB LEU A 60 2.988 -2.301 -1.067 1.00 0.00 C ATOM 901 CG LEU A 60 4.269 -2.938 -0.538 1.00 0.00 C ATOM 902 CD1 LEU A 60 4.941 -3.696 -1.681 1.00 0.00 C ATOM 903 CD2 LEU A 60 5.204 -1.877 0.053 1.00 0.00 C ATOM 0 H LEU A 60 0.218 -1.922 -0.748 1.00 0.00 H new ATOM 0 HA LEU A 60 2.554 -2.106 1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.439 -3.022 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.233 -1.460 -1.716 1.00 0.00 H new ATOM 0 HG LEU A 60 4.031 -3.634 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.860 -4.158 -1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.267 -4.469 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.177 -3.003 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.110 -2.356 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.466 -1.153 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.702 -1.367 0.875 1.00 0.00 H new ATOM 915 N LYS A 61 2.188 0.259 1.366 1.00 0.00 N ATOM 916 CA LYS A 61 2.211 1.700 1.561 1.00 0.00 C ATOM 917 C LYS A 61 3.590 2.188 1.124 1.00 0.00 C ATOM 918 O LYS A 61 4.584 1.532 1.435 1.00 0.00 O ATOM 919 CB LYS A 61 1.944 2.004 3.041 1.00 0.00 C ATOM 920 CG LYS A 61 2.234 3.453 3.455 1.00 0.00 C ATOM 921 CD LYS A 61 1.280 4.468 2.818 1.00 0.00 C ATOM 922 CE LYS A 61 1.658 5.882 3.268 1.00 0.00 C ATOM 923 NZ LYS A 61 2.929 6.327 2.665 1.00 0.00 N ATOM 0 H LYS A 61 2.338 -0.277 2.221 1.00 0.00 H new ATOM 0 HA LYS A 61 1.444 2.208 0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.901 1.778 3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.552 1.336 3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.168 3.534 4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.258 3.704 3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.329 4.396 1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.252 4.247 3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.863 6.575 2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.742 5.907 4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.067 7.340 2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.717 5.787 3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.901 6.167 1.638 1.00 0.00 H new ATOM 937 N VAL A 62 3.662 3.303 0.387 1.00 0.00 N ATOM 938 CA VAL A 62 4.928 3.881 -0.030 1.00 0.00 C ATOM 939 C VAL A 62 4.822 5.410 -0.007 1.00 0.00 C ATOM 940 O VAL A 62 3.830 5.985 -0.458 1.00 0.00 O ATOM 941 CB VAL A 62 5.326 3.366 -1.428 1.00 0.00 C ATOM 942 CG1 VAL A 62 6.708 3.918 -1.782 1.00 0.00 C ATOM 943 CG2 VAL A 62 5.422 1.835 -1.487 1.00 0.00 C ATOM 0 H VAL A 62 2.844 3.822 0.068 1.00 0.00 H new ATOM 0 HA VAL A 62 5.711 3.576 0.664 1.00 0.00 H new ATOM 0 HB VAL A 62 4.554 3.696 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.001 3.560 -2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.675 5.007 -1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.435 3.580 -1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.705 1.527 -2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.173 1.490 -0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.456 1.400 -1.233 1.00 0.00 H new ATOM 953 N ASP A 63 5.845 6.066 0.549 1.00 0.00 N ATOM 954 CA ASP A 63 5.980 7.511 0.567 1.00 0.00 C ATOM 955 C ASP A 63 6.971 7.867 -0.538 1.00 0.00 C ATOM 956 O ASP A 63 8.177 7.672 -0.378 1.00 0.00 O ATOM 957 CB ASP A 63 6.486 8.002 1.928 1.00 0.00 C ATOM 958 CG ASP A 63 6.681 9.518 1.942 1.00 0.00 C ATOM 959 OD1 ASP A 63 6.059 10.203 1.099 1.00 0.00 O ATOM 960 OD2 ASP A 63 7.421 9.991 2.831 1.00 0.00 O ATOM 0 H ASP A 63 6.619 5.586 1.009 1.00 0.00 H new ATOM 0 HA ASP A 63 5.016 7.992 0.402 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.776 7.719 2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.430 7.511 2.165 1.00 0.00 H new ATOM 965 N VAL A 64 6.470 8.390 -1.658 1.00 0.00 N ATOM 966 CA VAL A 64 7.305 8.749 -2.801 1.00 0.00 C ATOM 967 C VAL A 64 8.396 9.735 -2.382 1.00 0.00 C ATOM 968 O VAL A 64 9.478 9.738 -2.962 1.00 0.00 O ATOM 969 CB VAL A 64 6.451 9.316 -3.948 1.00 0.00 C ATOM 970 CG1 VAL A 64 5.360 8.319 -4.356 1.00 0.00 C ATOM 971 CG2 VAL A 64 5.839 10.688 -3.642 1.00 0.00 C ATOM 0 H VAL A 64 5.477 8.576 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 64 7.792 7.845 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 64 7.134 9.468 -4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.768 8.740 -5.168 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.822 7.389 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.713 8.118 -3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.251 11.023 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.195 10.612 -2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.635 11.406 -3.446 1.00 0.00 H new ATOM 981 N ASP A 65 8.113 10.566 -1.370 1.00 0.00 N ATOM 982 CA ASP A 65 9.074 11.525 -0.856 1.00 0.00 C ATOM 983 C ASP A 65 10.323 10.808 -0.339 1.00 0.00 C ATOM 984 O ASP A 65 11.434 11.313 -0.481 1.00 0.00 O ATOM 985 CB ASP A 65 8.436 12.341 0.269 1.00 0.00 C ATOM 986 CG ASP A 65 9.290 13.559 0.584 1.00 0.00 C ATOM 987 OD1 ASP A 65 9.291 14.464 -0.277 1.00 0.00 O ATOM 988 OD2 ASP A 65 9.895 13.574 1.677 1.00 0.00 O ATOM 0 H ASP A 65 7.212 10.585 -0.892 1.00 0.00 H new ATOM 0 HA ASP A 65 9.369 12.194 -1.664 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.434 12.656 -0.023 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.328 11.723 1.160 1.00 0.00 H new ATOM 993 N ALA A 66 10.133 9.630 0.265 1.00 0.00 N ATOM 994 CA ALA A 66 11.214 8.837 0.819 1.00 0.00 C ATOM 995 C ALA A 66 11.856 7.998 -0.284 1.00 0.00 C ATOM 996 O ALA A 66 12.985 8.271 -0.689 1.00 0.00 O ATOM 997 CB ALA A 66 10.674 7.966 1.957 1.00 0.00 C ATOM 0 H ALA A 66 9.213 9.204 0.379 1.00 0.00 H new ATOM 0 HA ALA A 66 11.986 9.488 1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.485 7.369 2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.254 8.603 2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.898 7.305 1.572 1.00 0.00 H new ATOM 1003 N VAL A 67 11.152 6.988 -0.808 1.00 0.00 N ATOM 1004 CA VAL A 67 11.737 6.104 -1.816 1.00 0.00 C ATOM 1005 C VAL A 67 11.615 6.714 -3.218 1.00 0.00 C ATOM 1006 O VAL A 67 11.080 6.100 -4.145 1.00 0.00 O ATOM 1007 CB VAL A 67 11.170 4.681 -1.711 1.00 0.00 C ATOM 1008 CG1 VAL A 67 11.557 4.031 -0.374 1.00 0.00 C ATOM 1009 CG2 VAL A 67 9.656 4.606 -1.882 1.00 0.00 C ATOM 0 H VAL A 67 10.189 6.766 -0.554 1.00 0.00 H new ATOM 0 HA VAL A 67 12.805 6.009 -1.619 1.00 0.00 H new ATOM 0 HB VAL A 67 11.617 4.134 -2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.143 3.024 -0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.643 3.981 -0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.160 4.626 0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.331 3.569 -1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.173 5.204 -1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.381 4.991 -2.864 1.00 0.00 H new ATOM 1019 N ALA A 68 12.196 7.906 -3.384 1.00 0.00 N ATOM 1020 CA ALA A 68 12.213 8.644 -4.641 1.00 0.00 C ATOM 1021 C ALA A 68 12.654 7.738 -5.794 1.00 0.00 C ATOM 1022 O ALA A 68 12.057 7.764 -6.867 1.00 0.00 O ATOM 1023 CB ALA A 68 13.150 9.847 -4.507 1.00 0.00 C ATOM 0 H ALA A 68 12.678 8.392 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 68 11.206 8.998 -4.864 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.166 10.402 -5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.796 10.497 -3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.157 9.500 -4.274 1.00 0.00 H new ATOM 1029 N ALA A 69 13.674 6.907 -5.551 1.00 0.00 N ATOM 1030 CA ALA A 69 14.194 5.956 -6.524 1.00 0.00 C ATOM 1031 C ALA A 69 13.085 5.032 -7.041 1.00 0.00 C ATOM 1032 O ALA A 69 12.933 4.857 -8.250 1.00 0.00 O ATOM 1033 CB ALA A 69 15.313 5.137 -5.873 1.00 0.00 C ATOM 0 H ALA A 69 14.165 6.881 -4.657 1.00 0.00 H new ATOM 0 HA ALA A 69 14.590 6.504 -7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.708 4.422 -6.595 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.111 5.805 -5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.917 4.600 -5.011 1.00 0.00 H new ATOM 1039 N VAL A 70 12.306 4.440 -6.130 1.00 0.00 N ATOM 1040 CA VAL A 70 11.228 3.539 -6.517 1.00 0.00 C ATOM 1041 C VAL A 70 10.173 4.346 -7.265 1.00 0.00 C ATOM 1042 O VAL A 70 9.695 3.913 -8.307 1.00 0.00 O ATOM 1043 CB VAL A 70 10.621 2.831 -5.295 1.00 0.00 C ATOM 1044 CG1 VAL A 70 9.565 1.804 -5.723 1.00 0.00 C ATOM 1045 CG2 VAL A 70 11.686 2.059 -4.517 1.00 0.00 C ATOM 0 H VAL A 70 12.405 4.571 -5.123 1.00 0.00 H new ATOM 0 HA VAL A 70 11.623 2.757 -7.165 1.00 0.00 H new ATOM 0 HB VAL A 70 10.180 3.613 -4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.151 1.318 -4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.766 2.308 -6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.026 1.055 -6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.226 1.569 -3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.137 1.307 -5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.456 2.749 -4.171 1.00 0.00 H new ATOM 1055 N ALA A 71 9.816 5.517 -6.734 1.00 0.00 N ATOM 1056 CA ALA A 71 8.809 6.376 -7.343 1.00 0.00 C ATOM 1057 C ALA A 71 9.154 6.699 -8.806 1.00 0.00 C ATOM 1058 O ALA A 71 8.339 6.484 -9.706 1.00 0.00 O ATOM 1059 CB ALA A 71 8.666 7.650 -6.507 1.00 0.00 C ATOM 0 H ALA A 71 10.217 5.892 -5.874 1.00 0.00 H new ATOM 0 HA ALA A 71 7.854 5.850 -7.358 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.914 8.298 -6.957 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.360 7.388 -5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.622 8.173 -6.474 1.00 0.00 H new ATOM 1065 N GLU A 72 10.360 7.216 -9.062 1.00 0.00 N ATOM 1066 CA GLU A 72 10.755 7.580 -10.417 1.00 0.00 C ATOM 1067 C GLU A 72 10.894 6.329 -11.291 1.00 0.00 C ATOM 1068 O GLU A 72 10.439 6.340 -12.431 1.00 0.00 O ATOM 1069 CB GLU A 72 12.025 8.448 -10.400 1.00 0.00 C ATOM 1070 CG GLU A 72 13.299 7.721 -9.960 1.00 0.00 C ATOM 1071 CD GLU A 72 14.442 8.702 -9.722 1.00 0.00 C ATOM 1072 OE1 GLU A 72 15.016 9.159 -10.733 1.00 0.00 O ATOM 1073 OE2 GLU A 72 14.716 8.980 -8.534 1.00 0.00 O ATOM 0 H GLU A 72 11.071 7.389 -8.352 1.00 0.00 H new ATOM 0 HA GLU A 72 9.971 8.190 -10.867 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.183 8.854 -11.399 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.859 9.295 -9.734 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.103 7.159 -9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.590 6.998 -10.722 1.00 0.00 H new ATOM 1080 N ALA A 73 11.493 5.249 -10.772 1.00 0.00 N ATOM 1081 CA ALA A 73 11.654 4.016 -11.538 1.00 0.00 C ATOM 1082 C ALA A 73 10.292 3.455 -11.958 1.00 0.00 C ATOM 1083 O ALA A 73 10.104 3.059 -13.105 1.00 0.00 O ATOM 1084 CB ALA A 73 12.424 2.989 -10.704 1.00 0.00 C ATOM 0 H ALA A 73 11.872 5.209 -9.826 1.00 0.00 H new ATOM 0 HA ALA A 73 12.219 4.236 -12.444 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.543 2.070 -11.278 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.406 3.388 -10.451 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.872 2.776 -9.788 1.00 0.00 H new ATOM 1090 N ALA A 74 9.347 3.409 -11.017 1.00 0.00 N ATOM 1091 CA ALA A 74 7.997 2.917 -11.245 1.00 0.00 C ATOM 1092 C ALA A 74 7.250 3.838 -12.212 1.00 0.00 C ATOM 1093 O ALA A 74 6.491 3.364 -13.056 1.00 0.00 O ATOM 1094 CB ALA A 74 7.280 2.804 -9.897 1.00 0.00 C ATOM 0 H ALA A 74 9.507 3.720 -10.059 1.00 0.00 H new ATOM 0 HA ALA A 74 8.030 1.930 -11.707 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.266 2.436 -10.054 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.822 2.111 -9.254 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.241 3.785 -9.422 1.00 0.00 H new ATOM 1100 N GLY A 75 7.448 5.151 -12.068 1.00 0.00 N ATOM 1101 CA GLY A 75 6.882 6.168 -12.944 1.00 0.00 C ATOM 1102 C GLY A 75 5.750 6.936 -12.269 1.00 0.00 C ATOM 1103 O GLY A 75 4.653 7.043 -12.813 1.00 0.00 O ATOM 0 H GLY A 75 8.021 5.541 -11.320 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.665 6.865 -13.244 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.509 5.697 -13.853 1.00 0.00 H new ATOM 1107 N ILE A 76 6.007 7.471 -11.075 1.00 0.00 N ATOM 1108 CA ILE A 76 5.048 8.302 -10.353 1.00 0.00 C ATOM 1109 C ILE A 76 5.014 9.687 -11.006 1.00 0.00 C ATOM 1110 O ILE A 76 6.030 10.159 -11.514 1.00 0.00 O ATOM 1111 CB ILE A 76 5.460 8.362 -8.868 1.00 0.00 C ATOM 1112 CG1 ILE A 76 4.860 7.184 -8.083 1.00 0.00 C ATOM 1113 CG2 ILE A 76 5.007 9.654 -8.168 1.00 0.00 C ATOM 1114 CD1 ILE A 76 5.059 5.821 -8.749 1.00 0.00 C ATOM 0 H ILE A 76 6.890 7.339 -10.581 1.00 0.00 H new ATOM 0 HA ILE A 76 4.042 7.885 -10.400 1.00 0.00 H new ATOM 0 HB ILE A 76 6.549 8.322 -8.871 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.307 7.159 -7.089 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.792 7.358 -7.948 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.327 9.635 -7.126 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.452 10.514 -8.669 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.921 9.730 -8.212 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.607 5.045 -8.132 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.587 5.824 -9.732 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.125 5.622 -8.859 1.00 0.00 H new ATOM 1126 N THR A 77 3.846 10.337 -10.979 1.00 0.00 N ATOM 1127 CA THR A 77 3.644 11.681 -11.495 1.00 0.00 C ATOM 1128 C THR A 77 2.999 12.498 -10.374 1.00 0.00 C ATOM 1129 O THR A 77 3.684 13.223 -9.656 1.00 0.00 O ATOM 1130 CB THR A 77 2.785 11.611 -12.769 1.00 0.00 C ATOM 1131 OG1 THR A 77 1.591 10.891 -12.514 1.00 0.00 O ATOM 1132 CG2 THR A 77 3.547 10.904 -13.896 1.00 0.00 C ATOM 0 H THR A 77 2.998 9.927 -10.587 1.00 0.00 H new ATOM 0 HA THR A 77 4.577 12.165 -11.783 1.00 0.00 H new ATOM 0 HB THR A 77 2.550 12.632 -13.071 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.051 10.854 -13.331 1.00 0.00 H new ATOM 0 HG21 THR A 77 2.922 10.865 -14.788 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.462 11.454 -14.117 1.00 0.00 H new ATOM 0 HG23 THR A 77 3.799 9.890 -13.585 1.00 0.00 H new ATOM 1140 N ALA A 78 1.681 12.362 -10.222 1.00 0.00 N ATOM 1141 CA ALA A 78 0.907 12.977 -9.154 1.00 0.00 C ATOM 1142 C ALA A 78 0.856 12.015 -7.964 1.00 0.00 C ATOM 1143 O ALA A 78 1.375 10.901 -8.033 1.00 0.00 O ATOM 1144 CB ALA A 78 -0.498 13.301 -9.673 1.00 0.00 C ATOM 0 H ALA A 78 1.111 11.805 -10.858 1.00 0.00 H new ATOM 0 HA ALA A 78 1.371 13.908 -8.827 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.083 13.762 -8.877 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.425 13.989 -10.515 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.987 12.382 -9.997 1.00 0.00 H new ATOM 1150 N MET A 79 0.220 12.429 -6.866 1.00 0.00 N ATOM 1151 CA MET A 79 0.052 11.621 -5.670 1.00 0.00 C ATOM 1152 C MET A 79 -1.365 11.892 -5.151 1.00 0.00 C ATOM 1153 O MET A 79 -1.783 13.049 -5.192 1.00 0.00 O ATOM 1154 CB MET A 79 1.087 11.988 -4.594 1.00 0.00 C ATOM 1155 CG MET A 79 2.523 12.094 -5.122 1.00 0.00 C ATOM 1156 SD MET A 79 2.955 13.676 -5.902 1.00 0.00 S ATOM 1157 CE MET A 79 4.587 13.273 -6.559 1.00 0.00 C ATOM 0 H MET A 79 -0.199 13.356 -6.788 1.00 0.00 H new ATOM 0 HA MET A 79 0.199 10.567 -5.904 1.00 0.00 H new ATOM 0 HB2 MET A 79 0.805 12.939 -4.143 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.056 11.238 -3.803 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.210 11.918 -4.294 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.685 11.296 -5.846 1.00 0.00 H new ATOM 0 HE1 MET A 79 4.997 14.142 -7.073 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.249 12.989 -5.741 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.502 12.444 -7.261 1.00 0.00 H new ATOM 1167 N PRO A 80 -2.121 10.889 -4.678 1.00 0.00 N ATOM 1168 CA PRO A 80 -1.786 9.473 -4.649 1.00 0.00 C ATOM 1169 C PRO A 80 -1.605 8.850 -6.030 1.00 0.00 C ATOM 1170 O PRO A 80 -2.198 9.318 -6.998 1.00 0.00 O ATOM 1171 CB PRO A 80 -2.990 8.796 -3.997 1.00 0.00 C ATOM 1172 CG PRO A 80 -3.516 9.867 -3.053 1.00 0.00 C ATOM 1173 CD PRO A 80 -3.326 11.128 -3.897 1.00 0.00 C ATOM 0 HA PRO A 80 -0.839 9.345 -4.125 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.738 8.506 -4.735 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.703 7.891 -3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.560 9.704 -2.787 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.952 9.907 -2.121 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.186 11.302 -4.544 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.218 12.011 -3.267 1.00 0.00 H new ATOM 1181 N THR A 81 -0.806 7.787 -6.090 1.00 0.00 N ATOM 1182 CA THR A 81 -0.597 6.947 -7.252 1.00 0.00 C ATOM 1183 C THR A 81 -0.823 5.507 -6.781 1.00 0.00 C ATOM 1184 O THR A 81 -0.223 5.084 -5.792 1.00 0.00 O ATOM 1185 CB THR A 81 0.800 7.187 -7.849 1.00 0.00 C ATOM 1186 OG1 THR A 81 0.797 8.363 -8.629 1.00 0.00 O ATOM 1187 CG2 THR A 81 1.220 6.047 -8.778 1.00 0.00 C ATOM 0 H THR A 81 -0.262 7.478 -5.284 1.00 0.00 H new ATOM 0 HA THR A 81 -1.289 7.176 -8.062 1.00 0.00 H new ATOM 0 HB THR A 81 1.491 7.261 -7.010 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.096 9.119 -8.082 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.212 6.252 -9.180 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.242 5.111 -8.219 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.506 5.964 -9.598 1.00 0.00 H new ATOM 1195 N PHE A 82 -1.703 4.771 -7.462 1.00 0.00 N ATOM 1196 CA PHE A 82 -2.056 3.398 -7.137 1.00 0.00 C ATOM 1197 C PHE A 82 -1.576 2.476 -8.246 1.00 0.00 C ATOM 1198 O PHE A 82 -2.219 2.391 -9.289 1.00 0.00 O ATOM 1199 CB PHE A 82 -3.568 3.282 -6.910 1.00 0.00 C ATOM 1200 CG PHE A 82 -4.023 4.018 -5.663 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -3.513 3.623 -4.412 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -4.855 5.152 -5.749 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -3.811 4.366 -3.259 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -5.175 5.877 -4.586 1.00 0.00 C ATOM 1205 CZ PHE A 82 -4.638 5.495 -3.345 1.00 0.00 C ATOM 0 H PHE A 82 -2.201 5.129 -8.277 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.565 3.097 -6.212 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.095 3.681 -7.777 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.841 2.230 -6.828 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.890 2.744 -4.339 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.246 5.464 -6.706 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.403 4.068 -2.305 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.835 6.729 -4.648 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.862 6.070 -2.459 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.446 1.795 -8.028 1.00 0.00 N ATOM 1216 CA HIS A 83 0.089 0.852 -9.002 1.00 0.00 C ATOM 1217 C HIS A 83 -0.337 -0.551 -8.616 1.00 0.00 C ATOM 1218 O HIS A 83 -0.403 -0.860 -7.425 1.00 0.00 O ATOM 1219 CB HIS A 83 1.616 0.898 -9.031 1.00 0.00 C ATOM 1220 CG HIS A 83 2.194 2.048 -9.801 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.515 2.025 -10.246 1.00 0.00 N ATOM 1222 CD2 HIS A 83 1.595 3.194 -10.237 1.00 0.00 C ATOM 1223 CE1 HIS A 83 3.652 3.162 -10.935 1.00 0.00 C ATOM 1224 NE2 HIS A 83 2.527 3.892 -10.974 1.00 0.00 N ATOM 0 H HIS A 83 0.114 1.884 -7.180 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.294 1.122 -9.986 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.984 0.943 -8.006 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.986 -0.032 -9.462 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.577 3.498 -10.041 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.574 3.462 -11.411 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.390 4.783 -11.452 1.00 0.00 H new ATOM 1232 N VAL A 84 -0.590 -1.396 -9.618 1.00 0.00 N ATOM 1233 CA VAL A 84 -0.913 -2.792 -9.401 1.00 0.00 C ATOM 1234 C VAL A 84 0.126 -3.631 -10.139 1.00 0.00 C ATOM 1235 O VAL A 84 0.160 -3.620 -11.371 1.00 0.00 O ATOM 1236 CB VAL A 84 -2.333 -3.134 -9.877 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -2.698 -4.505 -9.292 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.370 -2.101 -9.423 1.00 0.00 C ATOM 0 H VAL A 84 -0.575 -1.123 -10.601 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.890 -3.008 -8.333 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.344 -3.138 -10.967 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.703 -4.781 -9.611 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.988 -5.252 -9.646 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.663 -4.457 -8.204 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.356 -2.391 -9.786 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.384 -2.054 -8.334 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.109 -1.122 -9.825 1.00 0.00 H new ATOM 1248 N TYR A 85 0.980 -4.337 -9.395 1.00 0.00 N ATOM 1249 CA TYR A 85 1.971 -5.248 -9.946 1.00 0.00 C ATOM 1250 C TYR A 85 1.453 -6.661 -9.688 1.00 0.00 C ATOM 1251 O TYR A 85 1.473 -7.126 -8.551 1.00 0.00 O ATOM 1252 CB TYR A 85 3.352 -5.017 -9.313 1.00 0.00 C ATOM 1253 CG TYR A 85 3.976 -3.680 -9.655 1.00 0.00 C ATOM 1254 CD1 TYR A 85 3.689 -2.554 -8.863 1.00 0.00 C ATOM 1255 CD2 TYR A 85 4.863 -3.562 -10.741 1.00 0.00 C ATOM 1256 CE1 TYR A 85 4.248 -1.306 -9.186 1.00 0.00 C ATOM 1257 CE2 TYR A 85 5.411 -2.309 -11.067 1.00 0.00 C ATOM 1258 CZ TYR A 85 5.055 -1.173 -10.324 1.00 0.00 C ATOM 1259 OH TYR A 85 5.431 0.064 -10.757 1.00 0.00 O ATOM 0 H TYR A 85 0.998 -4.287 -8.376 1.00 0.00 H new ATOM 0 HA TYR A 85 2.107 -5.082 -11.015 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.261 -5.096 -8.230 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.024 -5.812 -9.635 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.039 -2.649 -8.006 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.123 -4.433 -11.324 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.056 -0.449 -8.557 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.106 -2.221 -11.889 1.00 0.00 H new ATOM 0 HH TYR A 85 4.644 0.646 -10.807 1.00 0.00 H new ATOM 1269 N LYS A 86 0.931 -7.343 -10.711 1.00 0.00 N ATOM 1270 CA LYS A 86 0.475 -8.712 -10.534 1.00 0.00 C ATOM 1271 C LYS A 86 1.735 -9.568 -10.485 1.00 0.00 C ATOM 1272 O LYS A 86 2.399 -9.729 -11.512 1.00 0.00 O ATOM 1273 CB LYS A 86 -0.502 -9.117 -11.645 1.00 0.00 C ATOM 1274 CG LYS A 86 -1.032 -10.541 -11.404 1.00 0.00 C ATOM 1275 CD LYS A 86 -2.266 -10.861 -12.264 1.00 0.00 C ATOM 1276 CE LYS A 86 -3.569 -10.262 -11.712 1.00 0.00 C ATOM 1277 NZ LYS A 86 -3.998 -10.918 -10.462 1.00 0.00 N ATOM 0 H LYS A 86 0.817 -6.971 -11.654 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.094 -8.843 -9.614 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.334 -8.414 -11.680 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.002 -9.067 -12.613 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.243 -11.261 -11.623 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.287 -10.657 -10.351 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.102 -10.486 -13.274 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.376 -11.943 -12.340 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.429 -9.196 -11.532 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.356 -10.358 -12.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.930 -10.553 -10.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.059 -11.945 -10.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.307 -10.719 -9.711 1.00 0.00 H new ATOM 1291 N ASP A 87 2.095 -10.028 -9.279 1.00 0.00 N ATOM 1292 CA ASP A 87 3.275 -10.824 -8.936 1.00 0.00 C ATOM 1293 C ASP A 87 4.546 -9.979 -9.042 1.00 0.00 C ATOM 1294 O ASP A 87 5.312 -9.854 -8.092 1.00 0.00 O ATOM 1295 CB ASP A 87 3.341 -12.093 -9.798 1.00 0.00 C ATOM 1296 CG ASP A 87 2.074 -12.913 -9.603 1.00 0.00 C ATOM 1297 OD1 ASP A 87 1.818 -13.286 -8.437 1.00 0.00 O ATOM 1298 OD2 ASP A 87 1.347 -13.092 -10.603 1.00 0.00 O ATOM 0 H ASP A 87 1.523 -9.837 -8.457 1.00 0.00 H new ATOM 0 HA ASP A 87 3.194 -11.147 -7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.454 -11.825 -10.848 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.214 -12.685 -9.524 1.00 0.00 H new ATOM 1303 N GLY A 88 4.758 -9.400 -10.216 1.00 0.00 N ATOM 1304 CA GLY A 88 5.854 -8.508 -10.554 1.00 0.00 C ATOM 1305 C GLY A 88 5.570 -7.719 -11.839 1.00 0.00 C ATOM 1306 O GLY A 88 6.274 -6.754 -12.127 1.00 0.00 O ATOM 0 H GLY A 88 4.129 -9.551 -11.005 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.025 -7.814 -9.731 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.769 -9.087 -10.678 1.00 0.00 H new ATOM 1310 N VAL A 89 4.552 -8.101 -12.618 1.00 0.00 N ATOM 1311 CA VAL A 89 4.225 -7.452 -13.876 1.00 0.00 C ATOM 1312 C VAL A 89 3.324 -6.257 -13.576 1.00 0.00 C ATOM 1313 O VAL A 89 2.271 -6.441 -12.966 1.00 0.00 O ATOM 1314 CB VAL A 89 3.514 -8.465 -14.794 1.00 0.00 C ATOM 1315 CG1 VAL A 89 3.305 -7.872 -16.192 1.00 0.00 C ATOM 1316 CG2 VAL A 89 4.311 -9.774 -14.908 1.00 0.00 C ATOM 0 H VAL A 89 3.932 -8.876 -12.384 1.00 0.00 H new ATOM 0 HA VAL A 89 5.124 -7.103 -14.384 1.00 0.00 H new ATOM 0 HB VAL A 89 2.545 -8.686 -14.346 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.802 -8.602 -16.825 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.693 -6.973 -16.118 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.271 -7.619 -16.628 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.782 -10.466 -15.563 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.297 -9.565 -15.323 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.420 -10.221 -13.920 1.00 0.00 H new ATOM 1326 N LYS A 90 3.723 -5.043 -13.981 1.00 0.00 N ATOM 1327 CA LYS A 90 2.918 -3.840 -13.798 1.00 0.00 C ATOM 1328 C LYS A 90 1.616 -4.019 -14.586 1.00 0.00 C ATOM 1329 O LYS A 90 1.566 -3.769 -15.787 1.00 0.00 O ATOM 1330 CB LYS A 90 3.713 -2.600 -14.243 1.00 0.00 C ATOM 1331 CG LYS A 90 2.982 -1.303 -13.862 1.00 0.00 C ATOM 1332 CD LYS A 90 3.886 -0.078 -14.064 1.00 0.00 C ATOM 1333 CE LYS A 90 3.095 1.214 -13.847 1.00 0.00 C ATOM 1334 NZ LYS A 90 3.926 2.404 -14.116 1.00 0.00 N ATOM 0 H LYS A 90 4.615 -4.874 -14.445 1.00 0.00 H new ATOM 0 HA LYS A 90 2.671 -3.687 -12.748 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.700 -2.613 -13.781 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.866 -2.631 -15.322 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.082 -1.198 -14.468 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.662 -1.355 -12.821 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.725 -0.119 -13.369 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.305 -0.090 -15.070 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.222 1.222 -14.500 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.727 1.249 -12.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.383 3.263 -13.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.780 2.372 -13.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.201 2.416 -15.119 1.00 0.00 H new ATOM 1348 N ALA A 91 0.573 -4.483 -13.901 1.00 0.00 N ATOM 1349 CA ALA A 91 -0.717 -4.796 -14.478 1.00 0.00 C ATOM 1350 C ALA A 91 -1.549 -3.540 -14.674 1.00 0.00 C ATOM 1351 O ALA A 91 -2.308 -3.459 -15.639 1.00 0.00 O ATOM 1352 CB ALA A 91 -1.447 -5.790 -13.569 1.00 0.00 C ATOM 0 H ALA A 91 0.612 -4.654 -12.896 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.566 -5.244 -15.460 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.420 -6.029 -13.999 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.856 -6.701 -13.478 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.585 -5.347 -12.583 1.00 0.00 H new ATOM 1358 N ASP A 92 -1.441 -2.575 -13.757 1.00 0.00 N ATOM 1359 CA ASP A 92 -2.246 -1.362 -13.850 1.00 0.00 C ATOM 1360 C ASP A 92 -1.618 -0.199 -13.085 1.00 0.00 C ATOM 1361 O ASP A 92 -0.682 -0.390 -12.305 1.00 0.00 O ATOM 1362 CB ASP A 92 -3.656 -1.674 -13.326 1.00 0.00 C ATOM 1363 CG ASP A 92 -4.761 -0.881 -14.015 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -4.451 0.193 -14.573 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -5.907 -1.379 -13.965 1.00 0.00 O ATOM 0 H ASP A 92 -0.813 -2.611 -12.954 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.298 -1.048 -14.892 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.853 -2.738 -13.453 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.689 -1.469 -12.256 1.00 0.00 H new ATOM 1370 N ASP A 93 -2.158 1.000 -13.319 1.00 0.00 N ATOM 1371 CA ASP A 93 -1.756 2.276 -12.750 1.00 0.00 C ATOM 1372 C ASP A 93 -3.008 3.141 -12.632 1.00 0.00 C ATOM 1373 O ASP A 93 -4.053 2.826 -13.195 1.00 0.00 O ATOM 1374 CB ASP A 93 -0.696 2.927 -13.653 1.00 0.00 C ATOM 1375 CG ASP A 93 -0.307 4.364 -13.308 1.00 0.00 C ATOM 1376 OD1 ASP A 93 -0.226 4.670 -12.099 1.00 0.00 O ATOM 1377 OD2 ASP A 93 -0.089 5.135 -14.264 1.00 0.00 O ATOM 0 H ASP A 93 -2.945 1.105 -13.959 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.310 2.153 -11.763 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.203 2.312 -13.624 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -1.062 2.908 -14.680 1.00 0.00 H new ATOM 1382 N LEU A 94 -2.876 4.235 -11.896 1.00 0.00 N ATOM 1383 CA LEU A 94 -3.902 5.218 -11.591 1.00 0.00 C ATOM 1384 C LEU A 94 -3.223 6.292 -10.757 1.00 0.00 C ATOM 1385 O LEU A 94 -2.434 5.955 -9.879 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.039 4.553 -10.800 1.00 0.00 C ATOM 1387 CG LEU A 94 -5.990 5.526 -10.077 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -6.769 6.379 -11.084 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -6.974 4.737 -9.208 1.00 0.00 C ATOM 0 H LEU A 94 -1.983 4.475 -11.466 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.339 5.644 -12.494 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.625 3.938 -11.483 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.602 3.881 -10.061 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.392 6.187 -9.450 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.433 7.058 -10.549 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.070 6.957 -11.689 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.358 5.730 -11.732 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.645 5.429 -8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.556 4.064 -9.837 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.422 4.156 -8.469 1.00 0.00 H new ATOM 1401 N VAL A 95 -3.523 7.569 -11.008 1.00 0.00 N ATOM 1402 CA VAL A 95 -2.983 8.679 -10.248 1.00 0.00 C ATOM 1403 C VAL A 95 -4.123 9.652 -9.962 1.00 0.00 C ATOM 1404 O VAL A 95 -5.021 9.791 -10.790 1.00 0.00 O ATOM 1405 CB VAL A 95 -1.815 9.344 -11.006 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -0.796 8.307 -11.499 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -2.272 10.184 -12.205 1.00 0.00 C ATOM 0 H VAL A 95 -4.156 7.855 -11.755 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.568 8.333 -9.301 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.350 10.009 -10.278 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.011 8.813 -12.028 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.387 7.765 -10.646 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.288 7.606 -12.173 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.403 10.624 -12.694 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.804 9.548 -12.913 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.935 10.978 -11.861 1.00 0.00 H new ATOM 1417 N GLY A 96 -4.109 10.297 -8.791 1.00 0.00 N ATOM 1418 CA GLY A 96 -5.096 11.302 -8.433 1.00 0.00 C ATOM 1419 C GLY A 96 -6.241 10.714 -7.616 1.00 0.00 C ATOM 1420 O GLY A 96 -7.397 10.733 -8.034 1.00 0.00 O ATOM 0 H GLY A 96 -3.409 10.131 -8.068 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.614 12.096 -7.862 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.494 11.758 -9.340 1.00 0.00 H new ATOM 1424 N ALA A 97 -5.902 10.219 -6.424 1.00 0.00 N ATOM 1425 CA ALA A 97 -6.847 9.712 -5.436 1.00 0.00 C ATOM 1426 C ALA A 97 -7.836 8.716 -6.060 1.00 0.00 C ATOM 1427 O ALA A 97 -7.440 7.602 -6.389 1.00 0.00 O ATOM 1428 CB ALA A 97 -7.533 10.915 -4.770 1.00 0.00 C ATOM 0 H ALA A 97 -4.932 10.160 -6.113 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.325 9.142 -4.668 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.246 10.561 -4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.782 11.540 -4.285 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.058 11.499 -5.526 1.00 0.00 H new ATOM 1434 N SER A 98 -9.107 9.105 -6.218 1.00 0.00 N ATOM 1435 CA SER A 98 -10.156 8.285 -6.809 1.00 0.00 C ATOM 1436 C SER A 98 -10.306 6.958 -6.056 1.00 0.00 C ATOM 1437 O SER A 98 -10.150 5.882 -6.629 1.00 0.00 O ATOM 1438 CB SER A 98 -9.862 8.080 -8.300 1.00 0.00 C ATOM 1439 OG SER A 98 -9.658 9.332 -8.932 1.00 0.00 O ATOM 0 H SER A 98 -9.437 10.026 -5.928 1.00 0.00 H new ATOM 0 HA SER A 98 -11.113 8.798 -6.720 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.978 7.454 -8.422 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.692 7.555 -8.774 1.00 0.00 H new ATOM 0 HG SER A 98 -8.813 9.721 -8.623 1.00 0.00 H new ATOM 1445 N GLN A 99 -10.639 7.041 -4.764 1.00 0.00 N ATOM 1446 CA GLN A 99 -10.813 5.893 -3.877 1.00 0.00 C ATOM 1447 C GLN A 99 -11.777 4.855 -4.475 1.00 0.00 C ATOM 1448 O GLN A 99 -11.589 3.652 -4.308 1.00 0.00 O ATOM 1449 CB GLN A 99 -11.309 6.356 -2.498 1.00 0.00 C ATOM 1450 CG GLN A 99 -10.286 7.226 -1.746 1.00 0.00 C ATOM 1451 CD GLN A 99 -10.472 8.721 -2.004 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -10.209 9.206 -3.100 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -10.935 9.469 -1.009 1.00 0.00 N ATOM 0 H GLN A 99 -10.799 7.933 -4.297 1.00 0.00 H new ATOM 0 HA GLN A 99 -9.842 5.411 -3.762 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.234 6.919 -2.622 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.547 5.482 -1.892 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.370 7.034 -0.676 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.279 6.934 -2.044 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.147 9.043 -0.107 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.079 10.469 -1.147 1.00 0.00 H new ATOM 1462 N ASP A 100 -12.820 5.315 -5.167 1.00 0.00 N ATOM 1463 CA ASP A 100 -13.768 4.450 -5.858 1.00 0.00 C ATOM 1464 C ASP A 100 -13.033 3.617 -6.915 1.00 0.00 C ATOM 1465 O ASP A 100 -13.206 2.401 -7.010 1.00 0.00 O ATOM 1466 CB ASP A 100 -14.868 5.312 -6.501 1.00 0.00 C ATOM 1467 CG ASP A 100 -14.346 6.267 -7.578 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -13.303 6.910 -7.317 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -14.986 6.320 -8.649 1.00 0.00 O ATOM 0 H ASP A 100 -13.030 6.309 -5.263 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.233 3.766 -5.148 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.620 4.657 -6.941 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.365 5.891 -5.723 1.00 0.00 H new ATOM 1474 N LYS A 101 -12.185 4.277 -7.702 1.00 0.00 N ATOM 1475 CA LYS A 101 -11.421 3.629 -8.749 1.00 0.00 C ATOM 1476 C LYS A 101 -10.376 2.714 -8.108 1.00 0.00 C ATOM 1477 O LYS A 101 -10.112 1.640 -8.636 1.00 0.00 O ATOM 1478 CB LYS A 101 -10.837 4.695 -9.682 1.00 0.00 C ATOM 1479 CG LYS A 101 -10.458 4.102 -11.046 1.00 0.00 C ATOM 1480 CD LYS A 101 -10.163 5.206 -12.071 1.00 0.00 C ATOM 1481 CE LYS A 101 -11.447 5.824 -12.641 1.00 0.00 C ATOM 1482 NZ LYS A 101 -11.141 6.861 -13.642 1.00 0.00 N ATOM 0 H LYS A 101 -12.013 5.279 -7.625 1.00 0.00 H new ATOM 0 HA LYS A 101 -12.049 2.992 -9.372 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.563 5.496 -9.821 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.956 5.141 -9.220 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.583 3.461 -10.936 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.270 3.473 -11.410 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.564 5.986 -11.601 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.567 4.794 -12.885 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.058 5.044 -13.096 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.035 6.258 -11.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.028 7.261 -14.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.578 7.615 -13.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.601 6.440 -14.424 1.00 0.00 H new ATOM 1496 N LEU A 102 -9.796 3.102 -6.966 1.00 0.00 N ATOM 1497 CA LEU A 102 -8.897 2.227 -6.215 1.00 0.00 C ATOM 1498 C LEU A 102 -9.649 0.932 -5.893 1.00 0.00 C ATOM 1499 O LEU A 102 -9.164 -0.153 -6.208 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.388 2.931 -4.945 1.00 0.00 C ATOM 1501 CG LEU A 102 -7.844 1.996 -3.852 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -6.542 1.316 -4.285 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -7.640 2.803 -2.565 1.00 0.00 C ATOM 0 H LEU A 102 -9.936 4.020 -6.543 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.015 1.987 -6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.601 3.630 -5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.203 3.520 -4.524 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.569 1.201 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.189 0.664 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.721 0.725 -5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.788 2.074 -4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.254 2.149 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.928 3.608 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.592 3.227 -2.247 1.00 0.00 H new ATOM 1515 N LYS A 103 -10.832 1.025 -5.276 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.624 -0.155 -4.957 1.00 0.00 C ATOM 1517 C LYS A 103 -11.829 -1.000 -6.219 1.00 0.00 C ATOM 1518 O LYS A 103 -11.605 -2.211 -6.189 1.00 0.00 O ATOM 1519 CB LYS A 103 -12.956 0.273 -4.334 1.00 0.00 C ATOM 1520 CG LYS A 103 -12.750 0.844 -2.927 1.00 0.00 C ATOM 1521 CD LYS A 103 -14.072 1.403 -2.385 1.00 0.00 C ATOM 1522 CE LYS A 103 -13.904 1.989 -0.979 1.00 0.00 C ATOM 1523 NZ LYS A 103 -13.001 3.155 -0.974 1.00 0.00 N ATOM 0 H LYS A 103 -11.257 1.907 -4.990 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.097 -0.772 -4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.433 1.021 -4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.630 -0.582 -4.287 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.375 0.066 -2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.997 1.631 -2.953 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.445 2.174 -3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.820 0.611 -2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.879 2.283 -0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.511 1.223 -0.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -13.045 3.624 -0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -12.027 2.840 -1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -13.294 3.824 -1.714 1.00 0.00 H new ATOM 1537 N ALA A 104 -12.218 -0.358 -7.326 1.00 0.00 N ATOM 1538 CA ALA A 104 -12.402 -1.045 -8.599 1.00 0.00 C ATOM 1539 C ALA A 104 -11.119 -1.777 -9.017 1.00 0.00 C ATOM 1540 O ALA A 104 -11.189 -2.942 -9.403 1.00 0.00 O ATOM 1541 CB ALA A 104 -12.847 -0.051 -9.677 1.00 0.00 C ATOM 0 H ALA A 104 -12.411 0.643 -7.360 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.185 -1.794 -8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -12.981 -0.576 -10.623 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -13.790 0.409 -9.381 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.087 0.722 -9.795 1.00 0.00 H new ATOM 1547 N LEU A 105 -9.954 -1.118 -8.944 1.00 0.00 N ATOM 1548 CA LEU A 105 -8.673 -1.730 -9.282 1.00 0.00 C ATOM 1549 C LEU A 105 -8.469 -2.986 -8.443 1.00 0.00 C ATOM 1550 O LEU A 105 -8.227 -4.062 -8.987 1.00 0.00 O ATOM 1551 CB LEU A 105 -7.487 -0.785 -9.007 1.00 0.00 C ATOM 1552 CG LEU A 105 -7.288 0.376 -9.988 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -6.182 1.280 -9.435 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -6.833 -0.108 -11.365 1.00 0.00 C ATOM 0 H LEU A 105 -9.879 -0.145 -8.648 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.701 -1.961 -10.347 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.609 -0.368 -8.007 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.574 -1.380 -8.995 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.241 0.894 -10.095 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.021 2.116 -10.116 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.478 1.661 -8.457 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.259 0.708 -9.338 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.705 0.748 -12.027 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.885 -0.638 -11.270 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.584 -0.779 -11.781 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.538 -2.856 -7.116 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.281 -3.999 -6.253 1.00 0.00 C ATOM 1568 C VAL A 106 -9.241 -5.135 -6.598 1.00 0.00 C ATOM 1569 O VAL A 106 -8.807 -6.268 -6.770 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.361 -3.612 -4.770 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -7.921 -4.804 -3.915 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -7.400 -2.464 -4.450 1.00 0.00 C ATOM 0 H VAL A 106 -8.765 -1.989 -6.629 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.263 -4.348 -6.428 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.388 -3.314 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.976 -4.535 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.578 -5.652 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.896 -5.074 -4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.477 -2.209 -3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.379 -2.771 -4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.660 -1.594 -5.053 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.530 -4.828 -6.730 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.534 -5.824 -7.084 1.00 0.00 C ATOM 1584 C ALA A 107 -11.138 -6.541 -8.381 1.00 0.00 C ATOM 1585 O ALA A 107 -11.002 -7.765 -8.406 1.00 0.00 O ATOM 1586 CB ALA A 107 -12.905 -5.152 -7.214 1.00 0.00 C ATOM 0 H ALA A 107 -10.904 -3.889 -6.595 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.594 -6.574 -6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.653 -5.899 -7.479 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.175 -4.689 -6.265 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.864 -4.389 -7.991 1.00 0.00 H new ATOM 1592 N LYS A 108 -10.929 -5.765 -9.450 1.00 0.00 N ATOM 1593 CA LYS A 108 -10.525 -6.247 -10.764 1.00 0.00 C ATOM 1594 C LYS A 108 -9.335 -7.189 -10.651 1.00 0.00 C ATOM 1595 O LYS A 108 -9.412 -8.362 -11.003 1.00 0.00 O ATOM 1596 CB LYS A 108 -10.166 -5.025 -11.633 1.00 0.00 C ATOM 1597 CG LYS A 108 -9.405 -5.283 -12.946 1.00 0.00 C ATOM 1598 CD LYS A 108 -9.976 -6.375 -13.857 1.00 0.00 C ATOM 1599 CE LYS A 108 -11.448 -6.138 -14.213 1.00 0.00 C ATOM 1600 NZ LYS A 108 -11.954 -7.199 -15.102 1.00 0.00 N ATOM 0 H LYS A 108 -11.042 -4.752 -9.417 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.342 -6.806 -11.221 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.091 -4.503 -11.878 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -9.568 -4.345 -11.026 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -9.369 -4.351 -13.510 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -8.376 -5.546 -12.700 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.388 -6.422 -14.773 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -9.877 -7.342 -13.364 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -12.046 -6.106 -13.302 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.557 -5.169 -14.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -12.952 -7.016 -15.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -11.397 -7.211 -15.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -11.870 -8.120 -14.626 1.00 0.00 H new ATOM 1614 N HIS A 109 -8.227 -6.645 -10.163 1.00 0.00 N ATOM 1615 CA HIS A 109 -6.961 -7.358 -10.112 1.00 0.00 C ATOM 1616 C HIS A 109 -6.961 -8.496 -9.089 1.00 0.00 C ATOM 1617 O HIS A 109 -6.157 -9.415 -9.219 1.00 0.00 O ATOM 1618 CB HIS A 109 -5.836 -6.343 -9.913 1.00 0.00 C ATOM 1619 CG HIS A 109 -5.772 -5.405 -11.096 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -5.468 -5.884 -12.369 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -6.085 -4.075 -11.193 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -5.634 -4.835 -13.177 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -6.019 -3.731 -12.525 1.00 0.00 N ATOM 0 H HIS A 109 -8.183 -5.696 -9.792 1.00 0.00 H new ATOM 0 HA HIS A 109 -6.794 -7.868 -11.061 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -6.004 -5.776 -8.997 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -4.884 -6.861 -9.797 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -6.337 -3.417 -10.375 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -5.475 -4.873 -14.244 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -6.223 -2.818 -12.933 1.00 0.00 H new ATOM 1631 N ALA A 110 -7.833 -8.461 -8.077 1.00 0.00 N ATOM 1632 CA ALA A 110 -7.993 -9.584 -7.163 1.00 0.00 C ATOM 1633 C ALA A 110 -8.711 -10.707 -7.910 1.00 0.00 C ATOM 1634 O ALA A 110 -8.313 -11.866 -7.820 1.00 0.00 O ATOM 1635 CB ALA A 110 -8.777 -9.161 -5.917 1.00 0.00 C ATOM 0 H ALA A 110 -8.437 -7.664 -7.874 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.018 -9.933 -6.824 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.885 -10.015 -5.248 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.241 -8.363 -5.403 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.764 -8.804 -6.212 1.00 0.00 H new ATOM 1641 N ALA A 111 -9.769 -10.367 -8.652 1.00 0.00 N ATOM 1642 CA ALA A 111 -10.517 -11.324 -9.455 1.00 0.00 C ATOM 1643 C ALA A 111 -9.836 -11.503 -10.819 1.00 0.00 C ATOM 1644 O ALA A 111 -10.485 -11.366 -11.856 1.00 0.00 O ATOM 1645 CB ALA A 111 -11.958 -10.823 -9.600 1.00 0.00 C ATOM 0 H ALA A 111 -10.128 -9.414 -8.709 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.536 -12.300 -8.969 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -12.531 -11.531 -10.200 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.413 -10.732 -8.614 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -11.957 -9.849 -10.090 1.00 0.00 H new ATOM 1651 N ALA A 112 -8.539 -11.823 -10.823 1.00 0.00 N ATOM 1652 CA ALA A 112 -7.736 -12.022 -12.017 1.00 0.00 C ATOM 1653 C ALA A 112 -6.432 -12.684 -11.582 1.00 0.00 C ATOM 1654 O ALA A 112 -6.272 -12.891 -10.360 1.00 0.00 O ATOM 1655 CB ALA A 112 -7.457 -10.677 -12.698 1.00 0.00 C ATOM 1656 OXT ALA A 112 -5.581 -12.964 -12.454 1.00 0.00 O ATOM 0 H ALA A 112 -8.008 -11.953 -9.962 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.261 -12.651 -12.736 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -6.854 -10.840 -13.592 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.400 -10.208 -12.977 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.918 -10.026 -12.010 1.00 0.00 H new TER 1662 ALA A 112