USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 621 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 30 TYR OH : rot 158:sc= 0.52 USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0.0784 K(o=0.6,f=-3) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -0.546 K(o=-1.4,f=-0.36) USER MOD Set 2.2: A 63 GLN : amide:sc= -0.863 K(o=-1.4,f=-3.6!) USER MOD Set 3.1: A 6 SER OG : rot 180:sc= -0.0278 USER MOD Set 3.2: A 9 SER OG : rot -66:sc= 0.0656 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 20 MET CE :methyl -114:sc= -0.0328 (180deg=-0.303) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.681 K(o=0.68,f=-0.11) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.336 K(o=-0.34,f=-1.1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0906 USER MOD Single : A 43 GLN : amide:sc= 0.728 K(o=0.73,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 50 GLN : amide:sc= -0.169 K(o=-0.17,f=-1.5!) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.71) USER MOD Single : A 78 SER OG : rot -108:sc= 0.00247 USER MOD Single : A 81 SER OG : rot 180:sc= 0.00894 USER MOD Single : A 82 SER OG : rot 59:sc= 0.0664 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.908 2.038 2.282 1.00 0.00 N ATOM 2 CA GLY A 1 -0.028 0.992 2.650 1.00 0.00 C ATOM 3 C GLY A 1 -1.469 1.393 2.409 1.00 0.00 C ATOM 4 O GLY A 1 -1.956 1.337 1.280 1.00 0.00 O ATOM 0 H1 GLY A 1 1.879 1.715 2.466 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.802 2.259 1.271 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.715 2.891 2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.196 0.091 2.079 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.105 0.743 3.703 1.00 0.00 H new ATOM 8 N SER A 2 -2.156 1.797 3.473 1.00 0.00 N ATOM 9 CA SER A 2 -3.553 2.204 3.373 1.00 0.00 C ATOM 10 C SER A 2 -3.667 3.621 2.819 1.00 0.00 C ATOM 11 O SER A 2 -3.728 4.591 3.574 1.00 0.00 O ATOM 12 CB SER A 2 -4.229 2.123 4.743 1.00 0.00 C ATOM 13 OG SER A 2 -4.676 0.806 5.014 1.00 0.00 O ATOM 0 H SER A 2 -1.768 1.851 4.415 1.00 0.00 H new ATOM 0 HA SER A 2 -4.057 1.523 2.687 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.529 2.439 5.517 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.074 2.811 4.777 1.00 0.00 H new ATOM 0 HG SER A 2 -5.103 0.780 5.896 1.00 0.00 H new ATOM 19 N SER A 3 -3.697 3.731 1.495 1.00 0.00 N ATOM 20 CA SER A 3 -3.801 5.029 0.838 1.00 0.00 C ATOM 21 C SER A 3 -4.882 5.009 -0.238 1.00 0.00 C ATOM 22 O SER A 3 -5.722 5.905 -0.307 1.00 0.00 O ATOM 23 CB SER A 3 -2.457 5.420 0.220 1.00 0.00 C ATOM 24 OG SER A 3 -1.582 4.308 0.155 1.00 0.00 O ATOM 0 H SER A 3 -3.651 2.937 0.856 1.00 0.00 H new ATOM 0 HA SER A 3 -4.076 5.768 1.590 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.616 5.820 -0.781 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.999 6.213 0.811 1.00 0.00 H new ATOM 0 HG SER A 3 -0.731 4.584 -0.245 1.00 0.00 H new ATOM 30 N GLY A 4 -4.854 3.978 -1.077 1.00 0.00 N ATOM 31 CA GLY A 4 -5.837 3.859 -2.138 1.00 0.00 C ATOM 32 C GLY A 4 -5.209 3.504 -3.472 1.00 0.00 C ATOM 33 O GLY A 4 -4.239 4.133 -3.896 1.00 0.00 O ATOM 0 H GLY A 4 -4.169 3.223 -1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.567 3.096 -1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.380 4.800 -2.234 1.00 0.00 H new ATOM 37 N SER A 5 -5.761 2.493 -4.134 1.00 0.00 N ATOM 38 CA SER A 5 -5.246 2.051 -5.425 1.00 0.00 C ATOM 39 C SER A 5 -6.382 1.835 -6.419 1.00 0.00 C ATOM 40 O SER A 5 -7.558 1.936 -6.066 1.00 0.00 O ATOM 41 CB SER A 5 -4.442 0.759 -5.262 1.00 0.00 C ATOM 42 OG SER A 5 -3.288 0.770 -6.084 1.00 0.00 O ATOM 0 H SER A 5 -6.566 1.964 -3.798 1.00 0.00 H new ATOM 0 HA SER A 5 -4.591 2.831 -5.813 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.148 0.639 -4.219 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.067 -0.097 -5.518 1.00 0.00 H new ATOM 0 HG SER A 5 -2.790 -0.065 -5.961 1.00 0.00 H new ATOM 48 N SER A 6 -6.023 1.536 -7.663 1.00 0.00 N ATOM 49 CA SER A 6 -7.012 1.309 -8.710 1.00 0.00 C ATOM 50 C SER A 6 -6.369 0.664 -9.934 1.00 0.00 C ATOM 51 O SER A 6 -5.320 1.104 -10.403 1.00 0.00 O ATOM 52 CB SER A 6 -7.679 2.627 -9.106 1.00 0.00 C ATOM 53 OG SER A 6 -6.889 3.737 -8.715 1.00 0.00 O ATOM 0 H SER A 6 -5.055 1.445 -7.971 1.00 0.00 H new ATOM 0 HA SER A 6 -7.770 0.630 -8.318 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.835 2.650 -10.185 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.662 2.695 -8.641 1.00 0.00 H new ATOM 0 HG SER A 6 -7.337 4.567 -8.981 1.00 0.00 H new ATOM 59 N GLY A 7 -7.007 -0.383 -10.448 1.00 0.00 N ATOM 60 CA GLY A 7 -6.483 -1.073 -11.613 1.00 0.00 C ATOM 61 C GLY A 7 -7.093 -0.571 -12.906 1.00 0.00 C ATOM 62 O GLY A 7 -6.394 -0.395 -13.904 1.00 0.00 O ATOM 0 H GLY A 7 -7.877 -0.766 -10.079 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.401 -0.945 -11.651 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.674 -2.142 -11.515 1.00 0.00 H new ATOM 66 N VAL A 8 -8.402 -0.343 -12.892 1.00 0.00 N ATOM 67 CA VAL A 8 -9.107 0.141 -14.073 1.00 0.00 C ATOM 68 C VAL A 8 -8.498 1.442 -14.582 1.00 0.00 C ATOM 69 O VAL A 8 -8.611 1.772 -15.763 1.00 0.00 O ATOM 70 CB VAL A 8 -10.603 0.367 -13.781 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.351 0.708 -15.060 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.206 -0.858 -13.110 1.00 0.00 C ATOM 0 H VAL A 8 -8.996 -0.486 -12.075 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.006 -0.628 -14.839 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.699 1.211 -13.097 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.406 0.864 -14.834 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.934 1.617 -15.494 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.250 -0.112 -15.770 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.263 -0.681 -12.911 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.100 -1.722 -13.767 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.687 -1.051 -12.171 1.00 0.00 H new ATOM 82 N SER A 9 -7.851 2.178 -13.684 1.00 0.00 N ATOM 83 CA SER A 9 -7.225 3.445 -14.042 1.00 0.00 C ATOM 84 C SER A 9 -5.973 3.215 -14.882 1.00 0.00 C ATOM 85 O SER A 9 -5.583 4.065 -15.683 1.00 0.00 O ATOM 86 CB SER A 9 -6.870 4.237 -12.782 1.00 0.00 C ATOM 87 OG SER A 9 -5.862 3.578 -12.034 1.00 0.00 O ATOM 0 H SER A 9 -7.747 1.918 -12.703 1.00 0.00 H new ATOM 0 HA SER A 9 -7.938 4.019 -14.634 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.528 5.234 -13.059 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.760 4.365 -12.166 1.00 0.00 H new ATOM 0 HG SER A 9 -6.213 2.731 -11.688 1.00 0.00 H new ATOM 93 N LYS A 10 -5.345 2.059 -14.693 1.00 0.00 N ATOM 94 CA LYS A 10 -4.137 1.714 -15.432 1.00 0.00 C ATOM 95 C LYS A 10 -4.433 0.664 -16.498 1.00 0.00 C ATOM 96 O LYS A 10 -3.541 -0.068 -16.926 1.00 0.00 O ATOM 97 CB LYS A 10 -3.060 1.196 -14.476 1.00 0.00 C ATOM 98 CG LYS A 10 -2.811 2.109 -13.288 1.00 0.00 C ATOM 99 CD LYS A 10 -1.333 2.417 -13.122 1.00 0.00 C ATOM 100 CE LYS A 10 -0.595 1.268 -12.452 1.00 0.00 C ATOM 101 NZ LYS A 10 0.343 0.591 -13.389 1.00 0.00 N ATOM 0 H LYS A 10 -5.654 1.345 -14.033 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.773 2.615 -15.926 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.353 0.211 -14.112 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.128 1.068 -15.027 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.365 3.039 -13.420 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.190 1.638 -12.381 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.890 2.615 -14.098 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.214 3.323 -12.528 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.041 1.644 -11.592 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.317 0.544 -12.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.827 -0.186 -12.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.189 0.210 -14.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.047 1.276 -13.730 1.00 0.00 H new ATOM 115 N TRP A 11 -5.690 0.597 -16.922 1.00 0.00 N ATOM 116 CA TRP A 11 -6.103 -0.363 -17.940 1.00 0.00 C ATOM 117 C TRP A 11 -5.579 0.041 -19.314 1.00 0.00 C ATOM 118 O TRP A 11 -5.788 1.169 -19.760 1.00 0.00 O ATOM 119 CB TRP A 11 -7.628 -0.477 -17.975 1.00 0.00 C ATOM 120 CG TRP A 11 -8.151 -1.670 -17.233 1.00 0.00 C ATOM 121 CD1 TRP A 11 -7.562 -2.301 -16.175 1.00 0.00 C ATOM 122 CD2 TRP A 11 -9.368 -2.376 -17.496 1.00 0.00 C ATOM 123 NE1 TRP A 11 -8.340 -3.356 -15.764 1.00 0.00 N ATOM 124 CE2 TRP A 11 -9.454 -3.423 -16.558 1.00 0.00 C ATOM 125 CE3 TRP A 11 -10.396 -2.225 -18.431 1.00 0.00 C ATOM 126 CZ2 TRP A 11 -10.525 -4.313 -16.531 1.00 0.00 C ATOM 127 CZ3 TRP A 11 -11.458 -3.108 -18.403 1.00 0.00 C ATOM 128 CH2 TRP A 11 -11.516 -4.141 -17.458 1.00 0.00 C ATOM 0 H TRP A 11 -6.441 1.195 -16.577 1.00 0.00 H new ATOM 0 HA TRP A 11 -5.679 -1.333 -17.681 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.063 0.427 -17.548 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.958 -0.530 -19.013 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.622 -2.013 -15.727 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.123 -3.987 -14.993 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.361 -1.432 -19.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.571 -5.110 -15.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -12.257 -3.000 -19.122 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -12.360 -4.815 -17.462 1.00 0.00 H new ATOM 139 N SER A 12 -4.899 -0.887 -19.980 1.00 0.00 N ATOM 140 CA SER A 12 -4.343 -0.625 -21.302 1.00 0.00 C ATOM 141 C SER A 12 -5.441 -0.223 -22.283 1.00 0.00 C ATOM 142 O SER A 12 -6.626 -0.476 -22.066 1.00 0.00 O ATOM 143 CB SER A 12 -3.606 -1.860 -21.823 1.00 0.00 C ATOM 144 OG SER A 12 -2.202 -1.705 -21.702 1.00 0.00 O ATOM 0 H SER A 12 -4.720 -1.827 -19.626 1.00 0.00 H new ATOM 0 HA SER A 12 -3.637 0.201 -21.215 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.927 -2.741 -21.267 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.868 -2.030 -22.867 1.00 0.00 H new ATOM 0 HG SER A 12 -1.754 -2.508 -22.040 1.00 0.00 H new ATOM 150 N PRO A 13 -5.038 0.418 -23.390 1.00 0.00 N ATOM 151 CA PRO A 13 -5.971 0.869 -24.428 1.00 0.00 C ATOM 152 C PRO A 13 -6.579 -0.294 -25.205 1.00 0.00 C ATOM 153 O PRO A 13 -7.627 -0.151 -25.834 1.00 0.00 O ATOM 154 CB PRO A 13 -5.094 1.725 -25.345 1.00 0.00 C ATOM 155 CG PRO A 13 -3.714 1.200 -25.148 1.00 0.00 C ATOM 156 CD PRO A 13 -3.641 0.753 -23.714 1.00 0.00 C ATOM 0 HA PRO A 13 -6.822 1.405 -24.007 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.406 1.637 -26.386 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.157 2.781 -25.081 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.512 0.371 -25.826 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.971 1.970 -25.355 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.983 -0.108 -23.594 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.256 1.541 -23.067 1.00 0.00 H new ATOM 164 N SER A 14 -5.915 -1.444 -25.156 1.00 0.00 N ATOM 165 CA SER A 14 -6.389 -2.631 -25.858 1.00 0.00 C ATOM 166 C SER A 14 -7.232 -3.507 -24.937 1.00 0.00 C ATOM 167 O SER A 14 -8.093 -4.258 -25.395 1.00 0.00 O ATOM 168 CB SER A 14 -5.206 -3.434 -26.402 1.00 0.00 C ATOM 169 OG SER A 14 -5.530 -4.810 -26.509 1.00 0.00 O ATOM 0 H SER A 14 -5.047 -1.579 -24.638 1.00 0.00 H new ATOM 0 HA SER A 14 -7.012 -2.305 -26.691 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.919 -3.048 -27.380 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.345 -3.310 -25.745 1.00 0.00 H new ATOM 0 HG SER A 14 -4.758 -5.301 -26.860 1.00 0.00 H new ATOM 175 N GLN A 15 -6.978 -3.404 -23.636 1.00 0.00 N ATOM 176 CA GLN A 15 -7.713 -4.187 -22.650 1.00 0.00 C ATOM 177 C GLN A 15 -9.178 -3.766 -22.603 1.00 0.00 C ATOM 178 O GLN A 15 -10.077 -4.607 -22.589 1.00 0.00 O ATOM 179 CB GLN A 15 -7.080 -4.028 -21.267 1.00 0.00 C ATOM 180 CG GLN A 15 -5.880 -4.933 -21.039 1.00 0.00 C ATOM 181 CD GLN A 15 -6.213 -6.139 -20.182 1.00 0.00 C ATOM 182 OE1 GLN A 15 -5.478 -6.477 -19.254 1.00 0.00 O ATOM 183 NE2 GLN A 15 -7.326 -6.795 -20.490 1.00 0.00 N ATOM 0 H GLN A 15 -6.269 -2.786 -23.241 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.664 -5.235 -22.946 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.773 -2.991 -21.134 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.832 -4.237 -20.506 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.496 -5.271 -22.002 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.084 -4.361 -20.562 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.905 -6.479 -21.268 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.601 -7.614 -19.949 1.00 0.00 H new ATOM 192 N VAL A 16 -9.413 -2.458 -22.580 1.00 0.00 N ATOM 193 CA VAL A 16 -10.769 -1.924 -22.535 1.00 0.00 C ATOM 194 C VAL A 16 -11.634 -2.529 -23.636 1.00 0.00 C ATOM 195 O VAL A 16 -12.833 -2.737 -23.454 1.00 0.00 O ATOM 196 CB VAL A 16 -10.774 -0.391 -22.677 1.00 0.00 C ATOM 197 CG1 VAL A 16 -12.197 0.145 -22.636 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.924 0.248 -21.589 1.00 0.00 C ATOM 0 H VAL A 16 -8.681 -1.748 -22.592 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.183 -2.192 -21.563 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.341 -0.132 -23.643 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.180 1.230 -22.738 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.772 -0.287 -23.455 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.660 -0.123 -21.686 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.939 1.332 -21.705 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.325 -0.018 -20.611 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.898 -0.111 -21.671 1.00 0.00 H new ATOM 208 N VAL A 17 -11.016 -2.809 -24.779 1.00 0.00 N ATOM 209 CA VAL A 17 -11.729 -3.392 -25.910 1.00 0.00 C ATOM 210 C VAL A 17 -12.341 -4.738 -25.539 1.00 0.00 C ATOM 211 O VAL A 17 -13.439 -5.075 -25.981 1.00 0.00 O ATOM 212 CB VAL A 17 -10.798 -3.580 -27.123 1.00 0.00 C ATOM 213 CG1 VAL A 17 -11.553 -4.214 -28.281 1.00 0.00 C ATOM 214 CG2 VAL A 17 -10.188 -2.249 -27.537 1.00 0.00 C ATOM 0 H VAL A 17 -10.024 -2.642 -24.946 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.524 -2.696 -26.176 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.988 -4.251 -26.838 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.880 -4.339 -29.129 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.937 -5.187 -27.976 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.384 -3.570 -28.569 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.533 -2.400 -28.395 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.982 -1.552 -27.805 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.611 -1.840 -26.708 1.00 0.00 H new ATOM 224 N ASP A 18 -11.623 -5.504 -24.725 1.00 0.00 N ATOM 225 CA ASP A 18 -12.096 -6.814 -24.292 1.00 0.00 C ATOM 226 C ASP A 18 -13.299 -6.678 -23.363 1.00 0.00 C ATOM 227 O ASP A 18 -14.155 -7.561 -23.308 1.00 0.00 O ATOM 228 CB ASP A 18 -10.975 -7.577 -23.587 1.00 0.00 C ATOM 229 CG ASP A 18 -11.268 -9.060 -23.471 1.00 0.00 C ATOM 230 OD1 ASP A 18 -11.107 -9.777 -24.480 1.00 0.00 O ATOM 231 OD2 ASP A 18 -11.660 -9.504 -22.371 1.00 0.00 O ATOM 0 H ASP A 18 -10.711 -5.240 -24.352 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.404 -7.372 -25.176 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.043 -7.435 -24.134 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.826 -7.160 -22.591 1.00 0.00 H new ATOM 236 N TRP A 19 -13.355 -5.568 -22.636 1.00 0.00 N ATOM 237 CA TRP A 19 -14.452 -5.318 -21.708 1.00 0.00 C ATOM 238 C TRP A 19 -15.754 -5.065 -22.460 1.00 0.00 C ATOM 239 O TRP A 19 -16.808 -5.579 -22.085 1.00 0.00 O ATOM 240 CB TRP A 19 -14.127 -4.122 -20.812 1.00 0.00 C ATOM 241 CG TRP A 19 -15.270 -3.708 -19.936 1.00 0.00 C ATOM 242 CD1 TRP A 19 -15.831 -4.432 -18.923 1.00 0.00 C ATOM 243 CD2 TRP A 19 -15.993 -2.473 -19.997 1.00 0.00 C ATOM 244 NE1 TRP A 19 -16.858 -3.722 -18.350 1.00 0.00 N ATOM 245 CE2 TRP A 19 -16.977 -2.517 -18.991 1.00 0.00 C ATOM 246 CE3 TRP A 19 -15.903 -1.335 -20.803 1.00 0.00 C ATOM 247 CZ2 TRP A 19 -17.864 -1.466 -18.772 1.00 0.00 C ATOM 248 CZ3 TRP A 19 -16.784 -0.293 -20.584 1.00 0.00 C ATOM 249 CH2 TRP A 19 -17.754 -0.364 -19.575 1.00 0.00 C ATOM 0 H TRP A 19 -12.654 -4.827 -22.671 1.00 0.00 H new ATOM 0 HA TRP A 19 -14.578 -6.205 -21.087 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -13.270 -4.369 -20.186 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -13.833 -3.278 -21.437 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -15.514 -5.418 -18.617 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -17.438 -4.040 -17.573 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -15.159 -1.271 -21.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -18.613 -1.519 -17.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -16.724 0.591 -21.201 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -18.428 0.467 -19.429 1.00 0.00 H new ATOM 260 N MET A 20 -15.674 -4.272 -23.523 1.00 0.00 N ATOM 261 CA MET A 20 -16.847 -3.953 -24.329 1.00 0.00 C ATOM 262 C MET A 20 -17.421 -5.210 -24.975 1.00 0.00 C ATOM 263 O MET A 20 -18.599 -5.256 -25.329 1.00 0.00 O ATOM 264 CB MET A 20 -16.489 -2.929 -25.408 1.00 0.00 C ATOM 265 CG MET A 20 -15.885 -1.649 -24.853 1.00 0.00 C ATOM 266 SD MET A 20 -17.106 -0.338 -24.646 1.00 0.00 S ATOM 267 CE MET A 20 -17.383 0.140 -26.350 1.00 0.00 C ATOM 0 H MET A 20 -14.809 -3.838 -23.847 1.00 0.00 H new ATOM 0 HA MET A 20 -17.604 -3.526 -23.671 1.00 0.00 H new ATOM 0 HB2 MET A 20 -15.785 -3.380 -26.107 1.00 0.00 H new ATOM 0 HB3 MET A 20 -17.386 -2.682 -25.975 1.00 0.00 H new ATOM 0 HG2 MET A 20 -15.417 -1.860 -23.891 1.00 0.00 H new ATOM 0 HG3 MET A 20 -15.097 -1.304 -25.522 1.00 0.00 H new ATOM 0 HE1 MET A 20 -17.025 1.158 -26.505 1.00 0.00 H new ATOM 0 HE2 MET A 20 -16.844 -0.539 -27.011 1.00 0.00 H new ATOM 0 HE3 MET A 20 -18.449 0.093 -26.572 1.00 0.00 H new ATOM 277 N LYS A 21 -16.580 -6.228 -25.127 1.00 0.00 N ATOM 278 CA LYS A 21 -17.003 -7.486 -25.730 1.00 0.00 C ATOM 279 C LYS A 21 -17.992 -8.217 -24.828 1.00 0.00 C ATOM 280 O LYS A 21 -18.641 -9.174 -25.248 1.00 0.00 O ATOM 281 CB LYS A 21 -15.790 -8.378 -26.003 1.00 0.00 C ATOM 282 CG LYS A 21 -14.822 -7.795 -27.019 1.00 0.00 C ATOM 283 CD LYS A 21 -14.268 -8.867 -27.941 1.00 0.00 C ATOM 284 CE LYS A 21 -13.964 -8.311 -29.324 1.00 0.00 C ATOM 285 NZ LYS A 21 -14.272 -9.296 -30.398 1.00 0.00 N ATOM 0 H LYS A 21 -15.601 -6.206 -24.841 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.499 -7.259 -26.674 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.260 -8.552 -25.067 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.136 -9.349 -26.359 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.329 -7.032 -27.610 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.001 -7.302 -26.499 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.359 -9.286 -27.509 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.986 -9.682 -28.025 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.545 -7.403 -29.486 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.912 -8.030 -29.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.051 -8.879 -31.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.699 -10.153 -30.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.281 -9.545 -30.362 1.00 0.00 H new ATOM 299 N GLY A 22 -18.102 -7.759 -23.584 1.00 0.00 N ATOM 300 CA GLY A 22 -19.014 -8.380 -22.642 1.00 0.00 C ATOM 301 C GLY A 22 -20.122 -7.443 -22.204 1.00 0.00 C ATOM 302 O GLY A 22 -20.740 -7.647 -21.158 1.00 0.00 O ATOM 0 H GLY A 22 -17.575 -6.969 -23.212 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.452 -9.268 -23.097 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.456 -8.713 -21.766 1.00 0.00 H new ATOM 306 N LEU A 23 -20.372 -6.411 -23.002 1.00 0.00 N ATOM 307 CA LEU A 23 -21.412 -5.437 -22.690 1.00 0.00 C ATOM 308 C LEU A 23 -22.573 -5.545 -23.674 1.00 0.00 C ATOM 309 O LEU A 23 -22.642 -6.484 -24.467 1.00 0.00 O ATOM 310 CB LEU A 23 -20.836 -4.020 -22.716 1.00 0.00 C ATOM 311 CG LEU A 23 -19.566 -3.797 -21.895 1.00 0.00 C ATOM 312 CD1 LEU A 23 -19.140 -2.338 -21.957 1.00 0.00 C ATOM 313 CD2 LEU A 23 -19.780 -4.231 -20.452 1.00 0.00 C ATOM 0 H LEU A 23 -19.869 -6.227 -23.870 1.00 0.00 H new ATOM 0 HA LEU A 23 -21.787 -5.651 -21.689 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.626 -3.753 -23.752 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -21.602 -3.331 -22.358 1.00 0.00 H new ATOM 0 HG LEU A 23 -18.769 -4.406 -22.322 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -18.234 -2.198 -21.367 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -18.945 -2.060 -22.993 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -19.935 -1.709 -21.556 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -18.865 -4.065 -19.883 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -20.591 -3.649 -20.014 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -20.037 -5.290 -20.425 1.00 0.00 H new ATOM 325 N ASP A 24 -23.481 -4.577 -23.618 1.00 0.00 N ATOM 326 CA ASP A 24 -24.637 -4.561 -24.506 1.00 0.00 C ATOM 327 C ASP A 24 -24.206 -4.712 -25.962 1.00 0.00 C ATOM 328 O ASP A 24 -23.094 -4.335 -26.332 1.00 0.00 O ATOM 329 CB ASP A 24 -25.427 -3.264 -24.327 1.00 0.00 C ATOM 330 CG ASP A 24 -26.922 -3.502 -24.251 1.00 0.00 C ATOM 331 OD1 ASP A 24 -27.423 -4.373 -24.992 1.00 0.00 O ATOM 332 OD2 ASP A 24 -27.591 -2.818 -23.449 1.00 0.00 O ATOM 0 H ASP A 24 -23.439 -3.793 -22.967 1.00 0.00 H new ATOM 0 HA ASP A 24 -25.276 -5.405 -24.245 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.095 -2.763 -23.418 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -25.211 -2.593 -25.158 1.00 0.00 H new ATOM 337 N ASP A 25 -25.092 -5.265 -26.782 1.00 0.00 N ATOM 338 CA ASP A 25 -24.804 -5.465 -28.197 1.00 0.00 C ATOM 339 C ASP A 25 -24.745 -4.131 -28.934 1.00 0.00 C ATOM 340 O ASP A 25 -24.078 -4.007 -29.962 1.00 0.00 O ATOM 341 CB ASP A 25 -25.864 -6.367 -28.833 1.00 0.00 C ATOM 342 CG ASP A 25 -25.286 -7.276 -29.900 1.00 0.00 C ATOM 343 OD1 ASP A 25 -24.534 -6.776 -30.762 1.00 0.00 O ATOM 344 OD2 ASP A 25 -25.585 -8.488 -29.871 1.00 0.00 O ATOM 0 H ASP A 25 -26.016 -5.583 -26.491 1.00 0.00 H new ATOM 0 HA ASP A 25 -23.830 -5.948 -28.279 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -26.333 -6.973 -28.058 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -26.647 -5.749 -29.272 1.00 0.00 H new ATOM 349 N CYS A 26 -25.448 -3.136 -28.403 1.00 0.00 N ATOM 350 CA CYS A 26 -25.477 -1.811 -29.012 1.00 0.00 C ATOM 351 C CYS A 26 -24.132 -1.109 -28.851 1.00 0.00 C ATOM 352 O CYS A 26 -23.797 -0.204 -29.616 1.00 0.00 O ATOM 353 CB CYS A 26 -26.586 -0.964 -28.386 1.00 0.00 C ATOM 354 SG CYS A 26 -28.242 -1.341 -29.007 1.00 0.00 S ATOM 0 H CYS A 26 -26.005 -3.222 -27.553 1.00 0.00 H new ATOM 0 HA CYS A 26 -25.678 -1.931 -30.076 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -26.573 -1.109 -27.306 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -26.372 0.089 -28.569 1.00 0.00 H new ATOM 0 HG CYS A 26 -29.111 -0.576 -28.417 1.00 0.00 H new ATOM 360 N LEU A 27 -23.367 -1.531 -27.851 1.00 0.00 N ATOM 361 CA LEU A 27 -22.058 -0.942 -27.588 1.00 0.00 C ATOM 362 C LEU A 27 -20.952 -1.749 -28.261 1.00 0.00 C ATOM 363 O LEU A 27 -19.791 -1.681 -27.861 1.00 0.00 O ATOM 364 CB LEU A 27 -21.805 -0.866 -26.081 1.00 0.00 C ATOM 365 CG LEU A 27 -23.012 -0.507 -25.215 1.00 0.00 C ATOM 366 CD1 LEU A 27 -22.675 -0.658 -23.740 1.00 0.00 C ATOM 367 CD2 LEU A 27 -23.481 0.910 -25.514 1.00 0.00 C ATOM 0 H LEU A 27 -23.630 -2.279 -27.209 1.00 0.00 H new ATOM 0 HA LEU A 27 -22.050 0.066 -28.003 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -21.419 -1.830 -25.749 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -21.022 -0.129 -25.901 1.00 0.00 H new ATOM 0 HG LEU A 27 -23.823 -1.195 -25.454 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.547 -0.398 -23.139 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -22.388 -1.690 -23.536 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.848 0.005 -23.486 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -24.341 1.148 -24.888 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -22.674 1.612 -25.304 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -23.764 0.986 -26.564 1.00 0.00 H new ATOM 379 N GLN A 28 -21.322 -2.510 -29.285 1.00 0.00 N ATOM 380 CA GLN A 28 -20.361 -3.329 -30.015 1.00 0.00 C ATOM 381 C GLN A 28 -19.768 -2.556 -31.189 1.00 0.00 C ATOM 382 O GLN A 28 -18.554 -2.545 -31.385 1.00 0.00 O ATOM 383 CB GLN A 28 -21.028 -4.611 -30.517 1.00 0.00 C ATOM 384 CG GLN A 28 -21.541 -5.507 -29.401 1.00 0.00 C ATOM 385 CD GLN A 28 -20.423 -6.083 -28.555 1.00 0.00 C ATOM 386 OE1 GLN A 28 -19.518 -6.743 -29.067 1.00 0.00 O ATOM 387 NE2 GLN A 28 -20.479 -5.835 -27.252 1.00 0.00 N ATOM 0 H GLN A 28 -22.280 -2.577 -29.628 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.553 -3.592 -29.332 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -21.859 -4.346 -31.170 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -20.313 -5.170 -31.121 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -22.217 -4.937 -28.764 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -22.122 -6.322 -29.833 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -21.247 -5.283 -26.870 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.754 -6.196 -26.632 1.00 0.00 H new ATOM 396 N GLN A 29 -20.634 -1.913 -31.965 1.00 0.00 N ATOM 397 CA GLN A 29 -20.195 -1.139 -33.120 1.00 0.00 C ATOM 398 C GLN A 29 -19.172 -0.085 -32.712 1.00 0.00 C ATOM 399 O GLN A 29 -18.343 0.336 -33.520 1.00 0.00 O ATOM 400 CB GLN A 29 -21.393 -0.469 -33.797 1.00 0.00 C ATOM 401 CG GLN A 29 -22.195 0.425 -32.866 1.00 0.00 C ATOM 402 CD GLN A 29 -23.626 0.615 -33.329 1.00 0.00 C ATOM 403 OE1 GLN A 29 -23.952 0.372 -34.491 1.00 0.00 O ATOM 404 NE2 GLN A 29 -24.490 1.052 -32.420 1.00 0.00 N ATOM 0 H GLN A 29 -21.643 -1.913 -31.815 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.723 -1.823 -33.826 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -21.039 0.124 -34.641 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -22.049 -1.240 -34.202 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -22.195 -0.006 -31.865 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -21.708 1.398 -32.794 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -24.177 1.241 -31.468 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.467 1.199 -32.674 1.00 0.00 H new ATOM 413 N TYR A 30 -19.235 0.338 -31.454 1.00 0.00 N ATOM 414 CA TYR A 30 -18.315 1.345 -30.940 1.00 0.00 C ATOM 415 C TYR A 30 -16.940 0.742 -30.673 1.00 0.00 C ATOM 416 O TYR A 30 -15.927 1.441 -30.701 1.00 0.00 O ATOM 417 CB TYR A 30 -18.870 1.965 -29.656 1.00 0.00 C ATOM 418 CG TYR A 30 -20.249 2.563 -29.820 1.00 0.00 C ATOM 419 CD1 TYR A 30 -20.570 3.324 -30.938 1.00 0.00 C ATOM 420 CD2 TYR A 30 -21.232 2.368 -28.857 1.00 0.00 C ATOM 421 CE1 TYR A 30 -21.828 3.873 -31.091 1.00 0.00 C ATOM 422 CE2 TYR A 30 -22.493 2.912 -29.003 1.00 0.00 C ATOM 423 CZ TYR A 30 -22.786 3.664 -30.121 1.00 0.00 C ATOM 424 OH TYR A 30 -24.041 4.208 -30.270 1.00 0.00 O ATOM 0 H TYR A 30 -19.913 -0.001 -30.772 1.00 0.00 H new ATOM 0 HA TYR A 30 -18.210 2.123 -31.696 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -18.904 1.201 -28.879 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -18.186 2.740 -29.311 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -19.823 3.489 -31.700 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -21.006 1.781 -27.979 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -22.060 4.463 -31.965 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -23.246 2.749 -28.246 1.00 0.00 H new ATOM 0 HH TYR A 30 -24.682 3.705 -29.726 1.00 0.00 H new ATOM 434 N ILE A 31 -16.913 -0.561 -30.414 1.00 0.00 N ATOM 435 CA ILE A 31 -15.663 -1.261 -30.144 1.00 0.00 C ATOM 436 C ILE A 31 -14.632 -0.985 -31.234 1.00 0.00 C ATOM 437 O ILE A 31 -13.477 -0.671 -30.946 1.00 0.00 O ATOM 438 CB ILE A 31 -15.881 -2.781 -30.032 1.00 0.00 C ATOM 439 CG1 ILE A 31 -16.916 -3.091 -28.950 1.00 0.00 C ATOM 440 CG2 ILE A 31 -14.566 -3.484 -29.732 1.00 0.00 C ATOM 441 CD1 ILE A 31 -17.215 -4.567 -28.804 1.00 0.00 C ATOM 0 H ILE A 31 -17.743 -1.154 -30.385 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.291 -0.885 -29.191 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.258 -3.150 -30.986 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.558 -2.705 -27.995 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.841 -2.562 -29.181 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.737 -4.558 -29.656 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.856 -3.285 -30.535 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -14.162 -3.113 -28.790 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.957 -4.712 -28.019 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.603 -4.955 -29.746 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -16.301 -5.099 -28.542 1.00 0.00 H new ATOM 453 N LYS A 32 -15.058 -1.103 -32.487 1.00 0.00 N ATOM 454 CA LYS A 32 -14.174 -0.863 -33.621 1.00 0.00 C ATOM 455 C LYS A 32 -13.559 0.531 -33.547 1.00 0.00 C ATOM 456 O LYS A 32 -12.473 0.769 -34.075 1.00 0.00 O ATOM 457 CB LYS A 32 -14.942 -1.024 -34.935 1.00 0.00 C ATOM 458 CG LYS A 32 -15.410 -2.446 -35.196 1.00 0.00 C ATOM 459 CD LYS A 32 -14.285 -3.313 -35.735 1.00 0.00 C ATOM 460 CE LYS A 32 -14.812 -4.629 -36.288 1.00 0.00 C ATOM 461 NZ LYS A 32 -13.922 -5.182 -37.346 1.00 0.00 N ATOM 0 H LYS A 32 -16.010 -1.364 -32.743 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.370 -1.598 -33.584 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -15.808 -0.362 -34.924 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.306 -0.703 -35.760 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.794 -2.879 -34.272 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.235 -2.434 -35.909 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.753 -2.775 -36.519 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.566 -3.513 -34.941 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.906 -5.352 -35.478 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.811 -4.477 -36.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.315 -6.078 -37.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.853 -4.503 -38.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.975 -5.351 -36.950 1.00 0.00 H new ATOM 475 N ASN A 33 -14.260 1.448 -32.888 1.00 0.00 N ATOM 476 CA ASN A 33 -13.782 2.818 -32.745 1.00 0.00 C ATOM 477 C ASN A 33 -12.878 2.954 -31.523 1.00 0.00 C ATOM 478 O ASN A 33 -12.009 3.824 -31.474 1.00 0.00 O ATOM 479 CB ASN A 33 -14.964 3.783 -32.629 1.00 0.00 C ATOM 480 CG ASN A 33 -15.769 3.868 -33.911 1.00 0.00 C ATOM 481 OD1 ASN A 33 -15.271 3.553 -34.992 1.00 0.00 O ATOM 482 ND2 ASN A 33 -17.021 4.296 -33.796 1.00 0.00 N ATOM 0 H ASN A 33 -15.161 1.267 -32.445 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.202 3.069 -33.633 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.614 3.461 -31.816 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.595 4.775 -32.368 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.611 4.374 -34.624 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.392 4.546 -32.880 1.00 0.00 H new ATOM 489 N PHE A 34 -13.089 2.086 -30.539 1.00 0.00 N ATOM 490 CA PHE A 34 -12.294 2.109 -29.317 1.00 0.00 C ATOM 491 C PHE A 34 -10.902 1.534 -29.563 1.00 0.00 C ATOM 492 O PHE A 34 -9.946 1.877 -28.867 1.00 0.00 O ATOM 493 CB PHE A 34 -12.996 1.318 -28.211 1.00 0.00 C ATOM 494 CG PHE A 34 -13.912 2.155 -27.364 1.00 0.00 C ATOM 495 CD1 PHE A 34 -14.939 2.883 -27.942 1.00 0.00 C ATOM 496 CD2 PHE A 34 -13.745 2.212 -25.990 1.00 0.00 C ATOM 497 CE1 PHE A 34 -15.782 3.655 -27.165 1.00 0.00 C ATOM 498 CE2 PHE A 34 -14.586 2.982 -25.207 1.00 0.00 C ATOM 499 CZ PHE A 34 -15.606 3.703 -25.796 1.00 0.00 C ATOM 0 H PHE A 34 -13.803 1.358 -30.564 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.189 3.147 -29.001 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.570 0.509 -28.662 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.243 0.857 -27.572 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.083 2.847 -29.012 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.949 1.649 -25.525 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.577 4.220 -27.628 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.445 3.019 -24.137 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.265 4.304 -25.187 1.00 0.00 H new ATOM 509 N GLU A 35 -10.797 0.658 -30.557 1.00 0.00 N ATOM 510 CA GLU A 35 -9.522 0.035 -30.894 1.00 0.00 C ATOM 511 C GLU A 35 -8.566 1.052 -31.510 1.00 0.00 C ATOM 512 O GLU A 35 -7.412 1.164 -31.098 1.00 0.00 O ATOM 513 CB GLU A 35 -9.739 -1.130 -31.861 1.00 0.00 C ATOM 514 CG GLU A 35 -9.249 -2.465 -31.326 1.00 0.00 C ATOM 515 CD GLU A 35 -7.739 -2.523 -31.196 1.00 0.00 C ATOM 516 OE1 GLU A 35 -7.055 -2.584 -32.239 1.00 0.00 O ATOM 517 OE2 GLU A 35 -7.242 -2.507 -30.050 1.00 0.00 O ATOM 0 H GLU A 35 -11.579 0.364 -31.143 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.077 -0.344 -29.974 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.802 -1.208 -32.090 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.226 -0.913 -32.798 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.701 -2.650 -30.352 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.584 -3.263 -31.989 1.00 0.00 H new ATOM 524 N ARG A 36 -9.055 1.790 -32.502 1.00 0.00 N ATOM 525 CA ARG A 36 -8.244 2.796 -33.177 1.00 0.00 C ATOM 526 C ARG A 36 -7.973 3.983 -32.257 1.00 0.00 C ATOM 527 O ARG A 36 -6.861 4.507 -32.217 1.00 0.00 O ATOM 528 CB ARG A 36 -8.943 3.273 -34.451 1.00 0.00 C ATOM 529 CG ARG A 36 -7.983 3.634 -35.574 1.00 0.00 C ATOM 530 CD ARG A 36 -8.715 3.823 -36.893 1.00 0.00 C ATOM 531 NE ARG A 36 -8.867 2.566 -37.621 1.00 0.00 N ATOM 532 CZ ARG A 36 -9.533 2.454 -38.764 1.00 0.00 C ATOM 533 NH1 ARG A 36 -10.107 3.519 -39.308 1.00 0.00 N ATOM 534 NH2 ARG A 36 -9.627 1.276 -39.367 1.00 0.00 N ATOM 0 H ARG A 36 -10.008 1.710 -32.856 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.290 2.340 -33.443 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.619 2.492 -34.799 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.556 4.143 -34.215 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.450 4.550 -35.318 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.235 2.849 -35.681 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.698 4.253 -36.703 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.169 4.536 -37.511 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.438 1.728 -37.230 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.037 4.427 -38.848 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.618 3.430 -40.186 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.187 0.454 -38.952 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.139 1.192 -40.245 1.00 0.00 H new ATOM 548 N GLU A 37 -8.999 4.401 -31.521 1.00 0.00 N ATOM 549 CA GLU A 37 -8.870 5.527 -30.604 1.00 0.00 C ATOM 550 C GLU A 37 -7.926 5.187 -29.455 1.00 0.00 C ATOM 551 O GLU A 37 -7.376 6.076 -28.803 1.00 0.00 O ATOM 552 CB GLU A 37 -10.242 5.922 -30.051 1.00 0.00 C ATOM 553 CG GLU A 37 -11.124 6.631 -31.064 1.00 0.00 C ATOM 554 CD GLU A 37 -11.253 8.117 -30.788 1.00 0.00 C ATOM 555 OE1 GLU A 37 -11.920 8.481 -29.797 1.00 0.00 O ATOM 556 OE2 GLU A 37 -10.685 8.915 -31.563 1.00 0.00 O ATOM 0 H GLU A 37 -9.927 3.977 -31.542 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.453 6.368 -31.158 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.754 5.027 -29.699 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.103 6.570 -29.186 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.713 6.485 -32.063 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.115 6.177 -31.058 1.00 0.00 H new ATOM 563 N LYS A 38 -7.741 3.894 -29.210 1.00 0.00 N ATOM 564 CA LYS A 38 -6.863 3.435 -28.141 1.00 0.00 C ATOM 565 C LYS A 38 -7.320 3.977 -26.791 1.00 0.00 C ATOM 566 O LYS A 38 -6.502 4.397 -25.971 1.00 0.00 O ATOM 567 CB LYS A 38 -5.421 3.868 -28.415 1.00 0.00 C ATOM 568 CG LYS A 38 -4.890 3.397 -29.758 1.00 0.00 C ATOM 569 CD LYS A 38 -4.084 2.116 -29.621 1.00 0.00 C ATOM 570 CE LYS A 38 -3.251 1.846 -30.864 1.00 0.00 C ATOM 571 NZ LYS A 38 -1.888 2.437 -30.758 1.00 0.00 N ATOM 0 H LYS A 38 -8.188 3.145 -29.738 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.909 2.346 -28.110 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.362 4.956 -28.372 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.778 3.482 -27.624 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.723 3.233 -30.442 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.266 4.175 -30.197 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.430 2.188 -28.752 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.758 1.278 -29.444 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.169 0.770 -31.020 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.758 2.257 -31.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.352 2.231 -31.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.965 3.467 -30.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.394 2.026 -29.940 1.00 0.00 H new ATOM 585 N ILE A 39 -8.629 3.964 -26.565 1.00 0.00 N ATOM 586 CA ILE A 39 -9.193 4.453 -25.313 1.00 0.00 C ATOM 587 C ILE A 39 -8.605 3.709 -24.118 1.00 0.00 C ATOM 588 O ILE A 39 -8.885 2.529 -23.910 1.00 0.00 O ATOM 589 CB ILE A 39 -10.726 4.306 -25.291 1.00 0.00 C ATOM 590 CG1 ILE A 39 -11.350 5.070 -26.461 1.00 0.00 C ATOM 591 CG2 ILE A 39 -11.287 4.804 -23.967 1.00 0.00 C ATOM 592 CD1 ILE A 39 -11.036 6.550 -26.453 1.00 0.00 C ATOM 0 H ILE A 39 -9.319 3.620 -27.233 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.936 5.510 -25.242 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.977 3.250 -25.395 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.997 4.637 -27.397 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.431 4.936 -26.436 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.371 4.694 -23.967 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.863 4.221 -23.150 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.029 5.855 -23.835 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.510 7.027 -27.310 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.414 6.997 -25.534 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.957 6.693 -26.509 1.00 0.00 H new ATOM 604 N SER A 40 -7.790 4.409 -23.336 1.00 0.00 N ATOM 605 CA SER A 40 -7.161 3.815 -22.162 1.00 0.00 C ATOM 606 C SER A 40 -8.088 3.888 -20.953 1.00 0.00 C ATOM 607 O SER A 40 -9.014 4.697 -20.914 1.00 0.00 O ATOM 608 CB SER A 40 -5.842 4.524 -21.851 1.00 0.00 C ATOM 609 OG SER A 40 -5.816 5.825 -22.414 1.00 0.00 O ATOM 0 H SER A 40 -7.550 5.388 -23.494 1.00 0.00 H new ATOM 0 HA SER A 40 -6.959 2.766 -22.380 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.706 4.589 -20.771 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.010 3.939 -22.242 1.00 0.00 H new ATOM 0 HG SER A 40 -4.963 6.257 -22.199 1.00 0.00 H new ATOM 615 N GLY A 41 -7.832 3.036 -19.965 1.00 0.00 N ATOM 616 CA GLY A 41 -8.651 3.019 -18.768 1.00 0.00 C ATOM 617 C GLY A 41 -8.759 4.385 -18.120 1.00 0.00 C ATOM 618 O GLY A 41 -9.846 4.810 -17.728 1.00 0.00 O ATOM 0 H GLY A 41 -7.071 2.357 -19.973 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.649 2.660 -19.019 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.229 2.313 -18.053 1.00 0.00 H new ATOM 622 N ASP A 42 -7.629 5.074 -18.004 1.00 0.00 N ATOM 623 CA ASP A 42 -7.601 6.400 -17.398 1.00 0.00 C ATOM 624 C ASP A 42 -8.636 7.315 -18.044 1.00 0.00 C ATOM 625 O ASP A 42 -9.168 8.218 -17.399 1.00 0.00 O ATOM 626 CB ASP A 42 -6.206 7.014 -17.529 1.00 0.00 C ATOM 627 CG ASP A 42 -6.169 8.465 -17.091 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.416 8.730 -15.896 1.00 0.00 O ATOM 629 OD2 ASP A 42 -5.894 9.336 -17.944 1.00 0.00 O ATOM 0 H ASP A 42 -6.720 4.736 -18.322 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.846 6.295 -16.341 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.501 6.438 -16.929 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.876 6.942 -18.565 1.00 0.00 H new ATOM 634 N GLN A 43 -8.915 7.075 -19.321 1.00 0.00 N ATOM 635 CA GLN A 43 -9.886 7.879 -20.055 1.00 0.00 C ATOM 636 C GLN A 43 -11.301 7.352 -19.843 1.00 0.00 C ATOM 637 O GLN A 43 -12.261 8.122 -19.792 1.00 0.00 O ATOM 638 CB GLN A 43 -9.549 7.887 -21.547 1.00 0.00 C ATOM 639 CG GLN A 43 -8.514 8.932 -21.932 1.00 0.00 C ATOM 640 CD GLN A 43 -8.632 9.364 -23.380 1.00 0.00 C ATOM 641 OE1 GLN A 43 -7.895 8.887 -24.244 1.00 0.00 O ATOM 642 NE2 GLN A 43 -9.562 10.271 -23.654 1.00 0.00 N ATOM 0 H GLN A 43 -8.483 6.331 -19.869 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.838 8.899 -19.674 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.182 6.901 -21.833 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.462 8.065 -22.116 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.625 9.803 -21.287 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.516 8.531 -21.757 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.151 10.639 -22.907 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -9.688 10.599 -24.611 1.00 0.00 H new ATOM 651 N LEU A 44 -11.424 6.035 -19.720 1.00 0.00 N ATOM 652 CA LEU A 44 -12.723 5.404 -19.514 1.00 0.00 C ATOM 653 C LEU A 44 -13.292 5.763 -18.145 1.00 0.00 C ATOM 654 O LEU A 44 -14.460 6.134 -18.024 1.00 0.00 O ATOM 655 CB LEU A 44 -12.600 3.885 -19.646 1.00 0.00 C ATOM 656 CG LEU A 44 -13.883 3.085 -19.413 1.00 0.00 C ATOM 657 CD1 LEU A 44 -14.561 2.767 -20.736 1.00 0.00 C ATOM 658 CD2 LEU A 44 -13.582 1.806 -18.644 1.00 0.00 C ATOM 0 H LEU A 44 -10.640 5.383 -19.759 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.405 5.775 -20.279 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.229 3.656 -20.645 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.846 3.539 -18.939 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.564 3.692 -18.816 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.472 2.198 -20.550 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.812 3.696 -21.249 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.886 2.179 -21.359 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.506 1.250 -18.487 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.883 1.195 -19.214 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.141 2.057 -17.679 1.00 0.00 H new ATOM 670 N LEU A 45 -12.458 5.653 -17.117 1.00 0.00 N ATOM 671 CA LEU A 45 -12.877 5.968 -15.755 1.00 0.00 C ATOM 672 C LEU A 45 -13.429 7.388 -15.671 1.00 0.00 C ATOM 673 O LEU A 45 -14.279 7.685 -14.831 1.00 0.00 O ATOM 674 CB LEU A 45 -11.702 5.807 -14.789 1.00 0.00 C ATOM 675 CG LEU A 45 -11.981 4.995 -13.524 1.00 0.00 C ATOM 676 CD1 LEU A 45 -12.256 3.541 -13.872 1.00 0.00 C ATOM 677 CD2 LEU A 45 -10.813 5.101 -12.554 1.00 0.00 C ATOM 0 H LEU A 45 -11.488 5.348 -17.200 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.668 5.273 -15.474 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.878 5.336 -15.325 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.363 6.799 -14.492 1.00 0.00 H new ATOM 0 HG LEU A 45 -12.868 5.405 -13.041 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.452 2.979 -12.959 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -13.124 3.482 -14.528 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.389 3.118 -14.379 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.029 4.517 -11.659 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.910 4.717 -13.029 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.663 6.145 -12.278 1.00 0.00 H new ATOM 689 N ARG A 46 -12.941 8.260 -16.547 1.00 0.00 N ATOM 690 CA ARG A 46 -13.386 9.648 -16.572 1.00 0.00 C ATOM 691 C ARG A 46 -14.073 9.975 -17.895 1.00 0.00 C ATOM 692 O ARG A 46 -14.077 11.125 -18.335 1.00 0.00 O ATOM 693 CB ARG A 46 -12.201 10.590 -16.354 1.00 0.00 C ATOM 694 CG ARG A 46 -11.249 10.655 -17.537 1.00 0.00 C ATOM 695 CD ARG A 46 -9.982 11.422 -17.191 1.00 0.00 C ATOM 696 NE ARG A 46 -9.408 12.085 -18.358 1.00 0.00 N ATOM 697 CZ ARG A 46 -9.956 13.142 -18.946 1.00 0.00 C ATOM 698 NH1 ARG A 46 -11.087 13.653 -18.478 1.00 0.00 N ATOM 699 NH2 ARG A 46 -9.374 13.691 -20.004 1.00 0.00 N ATOM 0 H ARG A 46 -12.237 8.030 -17.249 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.105 9.787 -15.765 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.577 11.592 -16.146 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.649 10.267 -15.471 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.989 9.644 -17.852 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.747 11.134 -18.380 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.206 12.165 -16.425 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.248 10.737 -16.766 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.538 11.716 -18.743 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.538 13.234 -17.665 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.506 14.465 -18.931 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.504 13.301 -20.367 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.796 14.503 -20.454 1.00 0.00 H new ATOM 713 N ILE A 47 -14.651 8.957 -18.523 1.00 0.00 N ATOM 714 CA ILE A 47 -15.341 9.137 -19.795 1.00 0.00 C ATOM 715 C ILE A 47 -16.605 9.972 -19.621 1.00 0.00 C ATOM 716 O ILE A 47 -17.388 9.750 -18.698 1.00 0.00 O ATOM 717 CB ILE A 47 -15.716 7.784 -20.428 1.00 0.00 C ATOM 718 CG1 ILE A 47 -16.259 7.992 -21.843 1.00 0.00 C ATOM 719 CG2 ILE A 47 -16.737 7.060 -19.564 1.00 0.00 C ATOM 720 CD1 ILE A 47 -15.442 7.299 -22.911 1.00 0.00 C ATOM 0 H ILE A 47 -14.655 7.999 -18.172 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.651 9.660 -20.457 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.819 7.167 -20.490 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -17.285 7.626 -21.887 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.292 9.060 -22.058 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.992 6.106 -20.025 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.316 6.884 -18.574 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.635 7.671 -19.473 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.885 7.489 -23.889 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -14.422 7.682 -22.894 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.430 6.226 -22.721 1.00 0.00 H new ATOM 732 N THR A 48 -16.799 10.935 -20.518 1.00 0.00 N ATOM 733 CA THR A 48 -17.968 11.803 -20.465 1.00 0.00 C ATOM 734 C THR A 48 -18.754 11.747 -21.770 1.00 0.00 C ATOM 735 O THR A 48 -18.278 11.209 -22.770 1.00 0.00 O ATOM 736 CB THR A 48 -17.570 13.264 -20.181 1.00 0.00 C ATOM 737 OG1 THR A 48 -18.744 14.067 -20.013 1.00 0.00 O ATOM 738 CG2 THR A 48 -16.724 13.825 -21.314 1.00 0.00 C ATOM 0 H THR A 48 -16.161 11.133 -21.289 1.00 0.00 H new ATOM 0 HA THR A 48 -18.595 11.440 -19.651 1.00 0.00 H new ATOM 0 HB THR A 48 -16.981 13.285 -19.264 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.483 14.994 -19.831 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.455 14.858 -21.091 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.818 13.229 -21.421 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.292 13.791 -22.244 1.00 0.00 H new ATOM 746 N HIS A 49 -19.959 12.307 -21.754 1.00 0.00 N ATOM 747 CA HIS A 49 -20.811 12.322 -22.938 1.00 0.00 C ATOM 748 C HIS A 49 -20.072 12.919 -24.132 1.00 0.00 C ATOM 749 O HIS A 49 -20.190 12.429 -25.255 1.00 0.00 O ATOM 750 CB HIS A 49 -22.087 13.118 -22.664 1.00 0.00 C ATOM 751 CG HIS A 49 -23.205 12.287 -22.115 1.00 0.00 C ATOM 752 ND1 HIS A 49 -23.406 12.093 -20.764 1.00 0.00 N ATOM 753 CD2 HIS A 49 -24.188 11.598 -22.742 1.00 0.00 C ATOM 754 CE1 HIS A 49 -24.462 11.320 -20.585 1.00 0.00 C ATOM 755 NE2 HIS A 49 -24.955 11.006 -21.769 1.00 0.00 N ATOM 0 H HIS A 49 -20.368 12.756 -20.935 1.00 0.00 H new ATOM 0 HA HIS A 49 -21.078 11.292 -23.176 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -21.861 13.919 -21.960 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -22.417 13.590 -23.590 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -24.340 11.527 -23.809 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -24.855 10.999 -19.632 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -25.773 10.419 -21.934 1.00 0.00 H new ATOM 763 N GLN A 50 -19.311 13.979 -23.881 1.00 0.00 N ATOM 764 CA GLN A 50 -18.554 14.643 -24.936 1.00 0.00 C ATOM 765 C GLN A 50 -17.523 13.697 -25.543 1.00 0.00 C ATOM 766 O GLN A 50 -17.359 13.643 -26.761 1.00 0.00 O ATOM 767 CB GLN A 50 -17.859 15.890 -24.387 1.00 0.00 C ATOM 768 CG GLN A 50 -18.186 17.158 -25.158 1.00 0.00 C ATOM 769 CD GLN A 50 -19.214 18.021 -24.453 1.00 0.00 C ATOM 770 OE1 GLN A 50 -19.868 17.580 -23.507 1.00 0.00 O ATOM 771 NE2 GLN A 50 -19.363 19.258 -24.911 1.00 0.00 N ATOM 0 H GLN A 50 -19.202 14.397 -22.957 1.00 0.00 H new ATOM 0 HA GLN A 50 -19.253 14.940 -25.718 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -18.145 16.025 -23.344 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.781 15.732 -24.404 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -17.273 17.735 -25.306 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -18.558 16.891 -26.147 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -18.800 19.582 -25.697 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -20.041 19.885 -24.477 1.00 0.00 H new ATOM 780 N GLU A 51 -16.830 12.955 -24.685 1.00 0.00 N ATOM 781 CA GLU A 51 -15.814 12.012 -25.139 1.00 0.00 C ATOM 782 C GLU A 51 -16.428 10.936 -26.029 1.00 0.00 C ATOM 783 O GLU A 51 -15.876 10.589 -27.074 1.00 0.00 O ATOM 784 CB GLU A 51 -15.118 11.363 -23.941 1.00 0.00 C ATOM 785 CG GLU A 51 -13.967 12.184 -23.386 1.00 0.00 C ATOM 786 CD GLU A 51 -12.630 11.482 -23.523 1.00 0.00 C ATOM 787 OE1 GLU A 51 -12.378 10.891 -24.594 1.00 0.00 O ATOM 788 OE2 GLU A 51 -11.836 11.523 -22.560 1.00 0.00 O ATOM 0 H GLU A 51 -16.953 12.988 -23.673 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.078 12.564 -25.723 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.851 11.200 -23.151 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.744 10.383 -24.236 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.925 13.141 -23.905 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.154 12.400 -22.334 1.00 0.00 H new ATOM 795 N LEU A 52 -17.574 10.411 -25.608 1.00 0.00 N ATOM 796 CA LEU A 52 -18.264 9.374 -26.366 1.00 0.00 C ATOM 797 C LEU A 52 -18.630 9.871 -27.761 1.00 0.00 C ATOM 798 O LEU A 52 -18.498 9.141 -28.743 1.00 0.00 O ATOM 799 CB LEU A 52 -19.526 8.927 -25.624 1.00 0.00 C ATOM 800 CG LEU A 52 -19.306 8.023 -24.411 1.00 0.00 C ATOM 801 CD1 LEU A 52 -20.274 8.383 -23.295 1.00 0.00 C ATOM 802 CD2 LEU A 52 -19.460 6.560 -24.801 1.00 0.00 C ATOM 0 H LEU A 52 -18.044 10.687 -24.746 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.589 8.524 -26.469 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -20.065 9.816 -25.297 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -20.172 8.404 -26.329 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.290 8.176 -24.047 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -20.103 7.729 -22.440 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -20.116 9.419 -22.997 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -21.298 8.259 -23.647 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -19.300 5.931 -23.925 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -20.464 6.391 -25.191 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -18.727 6.309 -25.567 1.00 0.00 H new ATOM 814 N GLU A 53 -19.087 11.116 -27.839 1.00 0.00 N ATOM 815 CA GLU A 53 -19.470 11.710 -29.115 1.00 0.00 C ATOM 816 C GLU A 53 -18.310 11.664 -30.106 1.00 0.00 C ATOM 817 O GLU A 53 -18.517 11.547 -31.314 1.00 0.00 O ATOM 818 CB GLU A 53 -19.925 13.157 -28.913 1.00 0.00 C ATOM 819 CG GLU A 53 -20.988 13.604 -29.902 1.00 0.00 C ATOM 820 CD GLU A 53 -20.889 15.080 -30.237 1.00 0.00 C ATOM 821 OE1 GLU A 53 -19.755 15.601 -30.290 1.00 0.00 O ATOM 822 OE2 GLU A 53 -21.944 15.713 -30.447 1.00 0.00 O ATOM 0 H GLU A 53 -19.201 11.733 -27.035 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.298 11.130 -29.523 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.313 13.269 -27.900 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -19.061 13.816 -28.998 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.895 13.020 -30.818 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.975 13.394 -29.489 1.00 0.00 H new ATOM 829 N ASP A 54 -17.091 11.757 -29.586 1.00 0.00 N ATOM 830 CA ASP A 54 -15.898 11.725 -30.424 1.00 0.00 C ATOM 831 C ASP A 54 -15.723 10.353 -31.068 1.00 0.00 C ATOM 832 O ASP A 54 -15.480 10.246 -32.271 1.00 0.00 O ATOM 833 CB ASP A 54 -14.660 12.077 -29.599 1.00 0.00 C ATOM 834 CG ASP A 54 -13.478 12.466 -30.465 1.00 0.00 C ATOM 835 OD1 ASP A 54 -13.477 13.597 -30.995 1.00 0.00 O ATOM 836 OD2 ASP A 54 -12.554 11.640 -30.613 1.00 0.00 O ATOM 0 H ASP A 54 -16.903 11.855 -28.588 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.020 12.465 -31.215 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.898 12.899 -28.924 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.386 11.224 -28.978 1.00 0.00 H new ATOM 841 N LEU A 55 -15.846 9.306 -30.259 1.00 0.00 N ATOM 842 CA LEU A 55 -15.700 7.940 -30.749 1.00 0.00 C ATOM 843 C LEU A 55 -16.733 7.635 -31.829 1.00 0.00 C ATOM 844 O LEU A 55 -16.510 6.789 -32.694 1.00 0.00 O ATOM 845 CB LEU A 55 -15.842 6.946 -29.596 1.00 0.00 C ATOM 846 CG LEU A 55 -14.744 6.988 -28.533 1.00 0.00 C ATOM 847 CD1 LEU A 55 -15.339 6.824 -27.143 1.00 0.00 C ATOM 848 CD2 LEU A 55 -13.702 5.911 -28.799 1.00 0.00 C ATOM 0 H LEU A 55 -16.046 9.377 -29.261 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.706 7.841 -31.185 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.800 7.122 -29.107 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -15.878 5.940 -30.013 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.254 7.960 -28.584 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.542 6.856 -26.400 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -16.046 7.631 -26.952 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.856 5.866 -27.079 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.928 5.956 -28.032 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.178 4.931 -28.777 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.252 6.074 -29.778 1.00 0.00 H new ATOM 860 N GLY A 56 -17.863 8.333 -31.773 1.00 0.00 N ATOM 861 CA GLY A 56 -18.913 8.124 -32.753 1.00 0.00 C ATOM 862 C GLY A 56 -20.277 7.954 -32.115 1.00 0.00 C ATOM 863 O GLY A 56 -21.304 8.124 -32.772 1.00 0.00 O ATOM 0 H GLY A 56 -18.070 9.039 -31.067 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.939 8.971 -33.439 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.681 7.240 -33.347 1.00 0.00 H new ATOM 867 N VAL A 57 -20.289 7.616 -30.829 1.00 0.00 N ATOM 868 CA VAL A 57 -21.537 7.422 -30.101 1.00 0.00 C ATOM 869 C VAL A 57 -22.376 8.695 -30.100 1.00 0.00 C ATOM 870 O VAL A 57 -22.126 9.615 -29.321 1.00 0.00 O ATOM 871 CB VAL A 57 -21.277 6.991 -28.646 1.00 0.00 C ATOM 872 CG1 VAL A 57 -22.580 6.609 -27.960 1.00 0.00 C ATOM 873 CG2 VAL A 57 -20.284 5.839 -28.601 1.00 0.00 C ATOM 0 H VAL A 57 -19.448 7.471 -30.270 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.083 6.631 -30.614 1.00 0.00 H new ATOM 0 HB VAL A 57 -20.845 7.835 -28.108 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.376 6.307 -26.933 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.255 7.465 -27.959 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.044 5.781 -28.496 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.112 5.547 -27.565 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -20.686 4.991 -29.155 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -19.342 6.153 -29.051 1.00 0.00 H new ATOM 883 N SER A 58 -23.374 8.741 -30.977 1.00 0.00 N ATOM 884 CA SER A 58 -24.249 9.903 -31.080 1.00 0.00 C ATOM 885 C SER A 58 -25.483 9.733 -30.200 1.00 0.00 C ATOM 886 O SER A 58 -25.884 10.655 -29.489 1.00 0.00 O ATOM 887 CB SER A 58 -24.671 10.122 -32.534 1.00 0.00 C ATOM 888 OG SER A 58 -25.126 8.915 -33.121 1.00 0.00 O ATOM 0 H SER A 58 -23.597 7.987 -31.627 1.00 0.00 H new ATOM 0 HA SER A 58 -23.696 10.776 -30.734 1.00 0.00 H new ATOM 0 HB2 SER A 58 -25.461 10.872 -32.578 1.00 0.00 H new ATOM 0 HB3 SER A 58 -23.829 10.513 -33.105 1.00 0.00 H new ATOM 0 HG SER A 58 -25.391 9.082 -34.049 1.00 0.00 H new ATOM 894 N ARG A 59 -26.082 8.547 -30.254 1.00 0.00 N ATOM 895 CA ARG A 59 -27.271 8.255 -29.463 1.00 0.00 C ATOM 896 C ARG A 59 -27.026 8.546 -27.985 1.00 0.00 C ATOM 897 O ARG A 59 -25.884 8.710 -27.556 1.00 0.00 O ATOM 898 CB ARG A 59 -27.685 6.794 -29.645 1.00 0.00 C ATOM 899 CG ARG A 59 -29.008 6.621 -30.372 1.00 0.00 C ATOM 900 CD ARG A 59 -30.081 6.063 -29.451 1.00 0.00 C ATOM 901 NE ARG A 59 -31.386 6.670 -29.701 1.00 0.00 N ATOM 902 CZ ARG A 59 -32.094 6.462 -30.806 1.00 0.00 C ATOM 903 NH1 ARG A 59 -31.625 5.667 -31.758 1.00 0.00 N ATOM 904 NH2 ARG A 59 -33.273 7.050 -30.960 1.00 0.00 N ATOM 0 H ARG A 59 -25.763 7.773 -30.837 1.00 0.00 H new ATOM 0 HA ARG A 59 -28.077 8.900 -29.813 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -26.905 6.271 -30.198 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -27.754 6.320 -28.666 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -29.333 7.582 -30.771 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -28.873 5.952 -31.222 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -30.151 4.984 -29.588 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -29.794 6.235 -28.414 1.00 0.00 H new ATOM 0 HE ARG A 59 -31.775 7.287 -28.988 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -30.719 5.213 -31.643 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -32.171 5.509 -32.605 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -33.637 7.662 -30.230 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -33.816 6.890 -31.809 1.00 0.00 H new ATOM 918 N ILE A 60 -28.106 8.608 -27.213 1.00 0.00 N ATOM 919 CA ILE A 60 -28.007 8.878 -25.784 1.00 0.00 C ATOM 920 C ILE A 60 -28.177 7.599 -24.970 1.00 0.00 C ATOM 921 O ILE A 60 -27.414 7.335 -24.042 1.00 0.00 O ATOM 922 CB ILE A 60 -29.062 9.905 -25.331 1.00 0.00 C ATOM 923 CG1 ILE A 60 -28.903 11.210 -26.114 1.00 0.00 C ATOM 924 CG2 ILE A 60 -28.944 10.160 -23.836 1.00 0.00 C ATOM 925 CD1 ILE A 60 -27.540 11.847 -25.957 1.00 0.00 C ATOM 0 H ILE A 60 -29.059 8.475 -27.553 1.00 0.00 H new ATOM 0 HA ILE A 60 -27.013 9.289 -25.608 1.00 0.00 H new ATOM 0 HB ILE A 60 -30.054 9.500 -25.534 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -29.084 11.014 -27.171 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -29.665 11.916 -25.785 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -29.696 10.888 -23.531 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -29.101 9.227 -23.294 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -27.951 10.548 -23.610 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -27.499 12.768 -26.539 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -27.364 12.075 -24.906 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -26.773 11.159 -26.313 1.00 0.00 H new ATOM 937 N GLY A 61 -29.184 6.807 -25.326 1.00 0.00 N ATOM 938 CA GLY A 61 -29.435 5.564 -24.620 1.00 0.00 C ATOM 939 C GLY A 61 -28.215 4.666 -24.575 1.00 0.00 C ATOM 940 O GLY A 61 -28.082 3.831 -23.680 1.00 0.00 O ATOM 0 H GLY A 61 -29.830 7.004 -26.090 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -29.756 5.786 -23.602 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.255 5.034 -25.105 1.00 0.00 H new ATOM 944 N HIS A 62 -27.322 4.835 -25.545 1.00 0.00 N ATOM 945 CA HIS A 62 -26.106 4.031 -25.613 1.00 0.00 C ATOM 946 C HIS A 62 -24.997 4.651 -24.769 1.00 0.00 C ATOM 947 O HIS A 62 -24.263 3.945 -24.078 1.00 0.00 O ATOM 948 CB HIS A 62 -25.642 3.893 -27.063 1.00 0.00 C ATOM 949 CG HIS A 62 -26.719 3.431 -27.996 1.00 0.00 C ATOM 950 ND1 HIS A 62 -26.803 3.839 -29.310 1.00 0.00 N ATOM 951 CD2 HIS A 62 -27.761 2.590 -27.798 1.00 0.00 C ATOM 952 CE1 HIS A 62 -27.850 3.271 -29.880 1.00 0.00 C ATOM 953 NE2 HIS A 62 -28.449 2.507 -28.984 1.00 0.00 N ATOM 0 H HIS A 62 -27.417 5.521 -26.294 1.00 0.00 H new ATOM 0 HA HIS A 62 -26.331 3.041 -25.215 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -25.263 4.855 -27.407 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -24.811 3.189 -27.104 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -28.006 2.079 -26.878 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -28.163 3.408 -30.904 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -29.286 1.947 -29.146 1.00 0.00 H new ATOM 961 N GLN A 63 -24.883 5.974 -24.830 1.00 0.00 N ATOM 962 CA GLN A 63 -23.862 6.687 -24.071 1.00 0.00 C ATOM 963 C GLN A 63 -23.986 6.393 -22.580 1.00 0.00 C ATOM 964 O GLN A 63 -22.992 6.383 -21.855 1.00 0.00 O ATOM 965 CB GLN A 63 -23.974 8.193 -24.316 1.00 0.00 C ATOM 966 CG GLN A 63 -23.318 8.649 -25.610 1.00 0.00 C ATOM 967 CD GLN A 63 -23.193 10.157 -25.701 1.00 0.00 C ATOM 968 OE1 GLN A 63 -22.464 10.779 -24.927 1.00 0.00 O ATOM 969 NE2 GLN A 63 -23.904 10.755 -26.649 1.00 0.00 N ATOM 0 H GLN A 63 -25.484 6.573 -25.396 1.00 0.00 H new ATOM 0 HA GLN A 63 -22.886 6.341 -24.411 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.027 8.472 -24.334 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -23.518 8.724 -23.480 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -22.328 8.201 -25.688 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -23.901 8.285 -26.456 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -24.495 10.201 -27.269 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.859 11.768 -26.758 1.00 0.00 H new ATOM 978 N GLU A 64 -25.214 6.153 -22.129 1.00 0.00 N ATOM 979 CA GLU A 64 -25.467 5.859 -20.724 1.00 0.00 C ATOM 980 C GLU A 64 -25.251 4.377 -20.430 1.00 0.00 C ATOM 981 O GLU A 64 -24.878 4.001 -19.318 1.00 0.00 O ATOM 982 CB GLU A 64 -26.893 6.262 -20.344 1.00 0.00 C ATOM 983 CG GLU A 64 -27.032 7.729 -19.972 1.00 0.00 C ATOM 984 CD GLU A 64 -27.342 7.930 -18.501 1.00 0.00 C ATOM 985 OE1 GLU A 64 -28.141 7.146 -17.949 1.00 0.00 O ATOM 986 OE2 GLU A 64 -26.784 8.873 -17.902 1.00 0.00 O ATOM 0 H GLU A 64 -26.048 6.157 -22.716 1.00 0.00 H new ATOM 0 HA GLU A 64 -24.762 6.437 -20.127 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -27.558 6.043 -21.179 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -27.223 5.650 -19.505 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -26.108 8.252 -20.220 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -27.824 8.179 -20.571 1.00 0.00 H new ATOM 993 N LEU A 65 -25.487 3.541 -21.434 1.00 0.00 N ATOM 994 CA LEU A 65 -25.319 2.099 -21.285 1.00 0.00 C ATOM 995 C LEU A 65 -23.903 1.760 -20.829 1.00 0.00 C ATOM 996 O LEU A 65 -23.712 0.994 -19.885 1.00 0.00 O ATOM 997 CB LEU A 65 -25.624 1.391 -22.606 1.00 0.00 C ATOM 998 CG LEU A 65 -27.028 0.800 -22.742 1.00 0.00 C ATOM 999 CD1 LEU A 65 -27.273 0.328 -24.167 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -27.223 -0.344 -21.758 1.00 0.00 C ATOM 0 H LEU A 65 -25.795 3.836 -22.360 1.00 0.00 H new ATOM 0 HA LEU A 65 -26.019 1.753 -20.524 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -25.470 2.100 -23.419 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -24.899 0.588 -22.741 1.00 0.00 H new ATOM 0 HG LEU A 65 -27.753 1.580 -22.510 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -28.277 -0.089 -24.244 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -27.177 1.171 -24.851 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -26.541 -0.436 -24.428 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -28.228 -0.752 -21.869 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -26.490 -1.125 -21.958 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -27.092 0.025 -20.741 1.00 0.00 H new ATOM 1012 N ILE A 66 -22.915 2.338 -21.504 1.00 0.00 N ATOM 1013 CA ILE A 66 -21.518 2.100 -21.165 1.00 0.00 C ATOM 1014 C ILE A 66 -21.188 2.644 -19.779 1.00 0.00 C ATOM 1015 O ILE A 66 -20.547 1.969 -18.972 1.00 0.00 O ATOM 1016 CB ILE A 66 -20.571 2.744 -22.196 1.00 0.00 C ATOM 1017 CG1 ILE A 66 -20.959 2.318 -23.613 1.00 0.00 C ATOM 1018 CG2 ILE A 66 -19.128 2.364 -21.899 1.00 0.00 C ATOM 1019 CD1 ILE A 66 -20.121 2.969 -24.690 1.00 0.00 C ATOM 0 H ILE A 66 -23.056 2.974 -22.289 1.00 0.00 H new ATOM 0 HA ILE A 66 -21.371 1.020 -21.173 1.00 0.00 H new ATOM 0 HB ILE A 66 -20.663 3.828 -22.125 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.866 1.235 -23.696 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -22.008 2.562 -23.783 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.471 2.826 -22.636 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -18.858 2.713 -20.902 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.020 1.280 -21.946 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.452 2.621 -25.669 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.233 4.052 -24.633 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.074 2.704 -24.546 1.00 0.00 H new ATOM 1031 N LEU A 67 -21.631 3.866 -19.508 1.00 0.00 N ATOM 1032 CA LEU A 67 -21.384 4.501 -18.218 1.00 0.00 C ATOM 1033 C LEU A 67 -21.960 3.663 -17.081 1.00 0.00 C ATOM 1034 O LEU A 67 -21.277 3.386 -16.095 1.00 0.00 O ATOM 1035 CB LEU A 67 -21.994 5.904 -18.193 1.00 0.00 C ATOM 1036 CG LEU A 67 -21.453 6.890 -19.228 1.00 0.00 C ATOM 1037 CD1 LEU A 67 -22.379 8.089 -19.359 1.00 0.00 C ATOM 1038 CD2 LEU A 67 -20.047 7.337 -18.855 1.00 0.00 C ATOM 0 H LEU A 67 -22.163 4.437 -20.164 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.306 4.578 -18.078 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.071 5.813 -18.336 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.839 6.328 -17.201 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.408 6.385 -20.193 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.977 8.780 -20.100 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.367 7.753 -19.674 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -22.458 8.595 -18.397 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.678 8.039 -19.603 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -20.067 7.823 -17.880 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.388 6.470 -18.815 1.00 0.00 H new ATOM 1050 N GLU A 68 -23.219 3.262 -17.226 1.00 0.00 N ATOM 1051 CA GLU A 68 -23.885 2.455 -16.210 1.00 0.00 C ATOM 1052 C GLU A 68 -23.048 1.230 -15.855 1.00 0.00 C ATOM 1053 O GLU A 68 -23.097 0.737 -14.728 1.00 0.00 O ATOM 1054 CB GLU A 68 -25.267 2.018 -16.700 1.00 0.00 C ATOM 1055 CG GLU A 68 -25.973 1.061 -15.754 1.00 0.00 C ATOM 1056 CD GLU A 68 -27.274 0.532 -16.325 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -27.305 0.206 -17.530 1.00 0.00 O ATOM 1058 OE2 GLU A 68 -28.262 0.443 -15.566 1.00 0.00 O ATOM 0 H GLU A 68 -23.798 3.482 -18.036 1.00 0.00 H new ATOM 0 HA GLU A 68 -24.002 3.066 -15.315 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -25.889 2.902 -16.841 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -25.164 1.542 -17.675 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -25.312 0.224 -15.529 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -26.174 1.570 -14.811 1.00 0.00 H new ATOM 1065 N ALA A 69 -22.281 0.742 -16.825 1.00 0.00 N ATOM 1066 CA ALA A 69 -21.432 -0.424 -16.614 1.00 0.00 C ATOM 1067 C ALA A 69 -20.109 -0.031 -15.966 1.00 0.00 C ATOM 1068 O ALA A 69 -19.568 -0.767 -15.141 1.00 0.00 O ATOM 1069 CB ALA A 69 -21.183 -1.140 -17.934 1.00 0.00 C ATOM 0 H ALA A 69 -22.230 1.136 -17.764 1.00 0.00 H new ATOM 0 HA ALA A 69 -21.950 -1.102 -15.936 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -20.548 -2.009 -17.762 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -22.134 -1.464 -18.357 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -20.689 -0.461 -18.629 1.00 0.00 H new ATOM 1075 N VAL A 70 -19.593 1.134 -16.345 1.00 0.00 N ATOM 1076 CA VAL A 70 -18.333 1.625 -15.800 1.00 0.00 C ATOM 1077 C VAL A 70 -18.400 1.742 -14.281 1.00 0.00 C ATOM 1078 O VAL A 70 -17.393 1.579 -13.591 1.00 0.00 O ATOM 1079 CB VAL A 70 -17.961 2.997 -16.394 1.00 0.00 C ATOM 1080 CG1 VAL A 70 -16.661 3.505 -15.791 1.00 0.00 C ATOM 1081 CG2 VAL A 70 -17.859 2.911 -17.909 1.00 0.00 C ATOM 0 H VAL A 70 -20.028 1.755 -17.027 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.566 0.900 -16.072 1.00 0.00 H new ATOM 0 HB VAL A 70 -18.750 3.707 -16.146 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.414 4.475 -16.223 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.776 3.607 -14.712 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.860 2.798 -16.006 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.596 3.889 -18.312 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -17.091 2.187 -18.181 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.817 2.595 -18.321 1.00 0.00 H new ATOM 1091 N ASP A 71 -19.591 2.026 -13.767 1.00 0.00 N ATOM 1092 CA ASP A 71 -19.790 2.164 -12.329 1.00 0.00 C ATOM 1093 C ASP A 71 -19.362 0.895 -11.597 1.00 0.00 C ATOM 1094 O ASP A 71 -18.668 0.956 -10.581 1.00 0.00 O ATOM 1095 CB ASP A 71 -21.257 2.474 -12.023 1.00 0.00 C ATOM 1096 CG ASP A 71 -21.445 3.078 -10.645 1.00 0.00 C ATOM 1097 OD1 ASP A 71 -21.337 2.331 -9.650 1.00 0.00 O ATOM 1098 OD2 ASP A 71 -21.700 4.297 -10.563 1.00 0.00 O ATOM 0 H ASP A 71 -20.434 2.165 -14.325 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.171 2.990 -11.979 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.644 3.162 -12.774 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -21.842 1.558 -12.098 1.00 0.00 H new ATOM 1103 N LEU A 72 -19.781 -0.252 -12.119 1.00 0.00 N ATOM 1104 CA LEU A 72 -19.442 -1.536 -11.515 1.00 0.00 C ATOM 1105 C LEU A 72 -17.931 -1.741 -11.483 1.00 0.00 C ATOM 1106 O LEU A 72 -17.391 -2.313 -10.535 1.00 0.00 O ATOM 1107 CB LEU A 72 -20.107 -2.677 -12.287 1.00 0.00 C ATOM 1108 CG LEU A 72 -21.537 -3.024 -11.873 1.00 0.00 C ATOM 1109 CD1 LEU A 72 -21.551 -3.685 -10.503 1.00 0.00 C ATOM 1110 CD2 LEU A 72 -22.410 -1.778 -11.874 1.00 0.00 C ATOM 0 H LEU A 72 -20.356 -0.320 -12.959 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.812 -1.536 -10.490 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.109 -2.419 -13.346 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.492 -3.570 -12.177 1.00 0.00 H new ATOM 0 HG LEU A 72 -21.943 -3.729 -12.598 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -22.577 -3.925 -10.225 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -20.960 -4.601 -10.535 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -21.125 -3.004 -9.766 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -23.424 -2.044 -11.577 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -22.005 -1.050 -11.171 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -22.427 -1.346 -12.875 1.00 0.00 H new ATOM 1122 N LEU A 73 -17.253 -1.268 -12.523 1.00 0.00 N ATOM 1123 CA LEU A 73 -15.803 -1.397 -12.614 1.00 0.00 C ATOM 1124 C LEU A 73 -15.119 -0.675 -11.457 1.00 0.00 C ATOM 1125 O LEU A 73 -14.019 -1.046 -11.045 1.00 0.00 O ATOM 1126 CB LEU A 73 -15.304 -0.837 -13.947 1.00 0.00 C ATOM 1127 CG LEU A 73 -15.046 -1.862 -15.051 1.00 0.00 C ATOM 1128 CD1 LEU A 73 -14.772 -1.164 -16.374 1.00 0.00 C ATOM 1129 CD2 LEU A 73 -13.885 -2.771 -14.675 1.00 0.00 C ATOM 0 H LEU A 73 -17.684 -0.792 -13.315 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.552 -2.456 -12.556 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.036 -0.116 -14.312 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.380 -0.289 -13.765 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.939 -2.476 -15.166 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.591 -1.910 -17.148 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.634 -0.557 -16.650 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.895 -0.525 -16.273 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.716 -3.494 -15.473 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.986 -2.172 -14.532 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.121 -3.299 -13.751 1.00 0.00 H new ATOM 1141 N CYS A 74 -15.777 0.355 -10.938 1.00 0.00 N ATOM 1142 CA CYS A 74 -15.233 1.128 -9.827 1.00 0.00 C ATOM 1143 C CYS A 74 -15.753 0.604 -8.493 1.00 0.00 C ATOM 1144 O CYS A 74 -15.005 0.498 -7.522 1.00 0.00 O ATOM 1145 CB CYS A 74 -15.592 2.606 -9.983 1.00 0.00 C ATOM 1146 SG CYS A 74 -14.258 3.742 -9.538 1.00 0.00 S ATOM 0 H CYS A 74 -16.688 0.674 -11.268 1.00 0.00 H new ATOM 0 HA CYS A 74 -14.148 1.022 -9.840 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -15.882 2.791 -11.017 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -16.462 2.825 -9.364 1.00 0.00 H new ATOM 0 HG CYS A 74 -14.658 4.968 -9.706 1.00 0.00 H new ATOM 1152 N ALA A 75 -17.041 0.279 -8.453 1.00 0.00 N ATOM 1153 CA ALA A 75 -17.662 -0.235 -7.238 1.00 0.00 C ATOM 1154 C ALA A 75 -16.871 -1.409 -6.672 1.00 0.00 C ATOM 1155 O ALA A 75 -16.724 -1.544 -5.456 1.00 0.00 O ATOM 1156 CB ALA A 75 -19.100 -0.648 -7.514 1.00 0.00 C ATOM 0 H ALA A 75 -17.675 0.362 -9.248 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.661 0.562 -6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -19.551 -1.030 -6.598 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.666 0.215 -7.865 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -19.115 -1.426 -8.277 1.00 0.00 H new ATOM 1162 N LEU A 76 -16.365 -2.258 -7.559 1.00 0.00 N ATOM 1163 CA LEU A 76 -15.589 -3.423 -7.148 1.00 0.00 C ATOM 1164 C LEU A 76 -14.235 -3.003 -6.582 1.00 0.00 C ATOM 1165 O LEU A 76 -13.715 -3.631 -5.661 1.00 0.00 O ATOM 1166 CB LEU A 76 -15.388 -4.371 -8.331 1.00 0.00 C ATOM 1167 CG LEU A 76 -16.479 -5.422 -8.541 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -16.471 -5.919 -9.978 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -16.296 -6.581 -7.573 1.00 0.00 C ATOM 0 H LEU A 76 -16.478 -2.162 -8.568 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.145 -3.941 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -15.307 -3.774 -9.239 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -14.436 -4.885 -8.201 1.00 0.00 H new ATOM 0 HG LEU A 76 -17.446 -4.959 -8.343 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -17.254 -6.666 -10.109 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -16.651 -5.083 -10.653 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -15.502 -6.365 -10.203 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -17.081 -7.319 -7.737 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -15.323 -7.043 -7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -16.353 -6.212 -6.549 1.00 0.00 H new ATOM 1181 N ASN A 77 -13.672 -1.937 -7.140 1.00 0.00 N ATOM 1182 CA ASN A 77 -12.379 -1.432 -6.690 1.00 0.00 C ATOM 1183 C ASN A 77 -12.510 -0.726 -5.344 1.00 0.00 C ATOM 1184 O ASN A 77 -12.936 0.427 -5.275 1.00 0.00 O ATOM 1185 CB ASN A 77 -11.794 -0.472 -7.728 1.00 0.00 C ATOM 1186 CG ASN A 77 -10.710 -1.120 -8.568 1.00 0.00 C ATOM 1187 OD1 ASN A 77 -9.539 -1.131 -8.189 1.00 0.00 O ATOM 1188 ND2 ASN A 77 -11.097 -1.664 -9.716 1.00 0.00 N ATOM 0 H ASN A 77 -14.090 -1.406 -7.904 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.706 -2.281 -6.571 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.592 -0.116 -8.380 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.384 0.401 -7.221 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.412 -2.114 -10.323 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.079 -1.632 -9.990 1.00 0.00 H new ATOM 1195 N SER A 78 -12.139 -1.425 -4.277 1.00 0.00 N ATOM 1196 CA SER A 78 -12.217 -0.867 -2.932 1.00 0.00 C ATOM 1197 C SER A 78 -11.459 -1.740 -1.936 1.00 0.00 C ATOM 1198 O SER A 78 -12.012 -2.685 -1.376 1.00 0.00 O ATOM 1199 CB SER A 78 -13.677 -0.729 -2.498 1.00 0.00 C ATOM 1200 OG SER A 78 -14.481 -1.739 -3.083 1.00 0.00 O ATOM 0 H SER A 78 -11.781 -2.379 -4.317 1.00 0.00 H new ATOM 0 HA SER A 78 -11.755 0.120 -2.948 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.744 -0.790 -1.412 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.054 0.252 -2.786 1.00 0.00 H new ATOM 0 HG SER A 78 -15.054 -1.343 -3.772 1.00 0.00 H new ATOM 1206 N GLY A 79 -10.188 -1.415 -1.721 1.00 0.00 N ATOM 1207 CA GLY A 79 -9.374 -2.178 -0.794 1.00 0.00 C ATOM 1208 C GLY A 79 -8.299 -2.986 -1.494 1.00 0.00 C ATOM 1209 O GLY A 79 -8.367 -4.212 -1.574 1.00 0.00 O ATOM 0 H GLY A 79 -9.708 -0.637 -2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.907 -1.498 -0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.014 -2.850 -0.222 1.00 0.00 H new ATOM 1213 N PRO A 80 -7.279 -2.291 -2.019 1.00 0.00 N ATOM 1214 CA PRO A 80 -6.166 -2.931 -2.727 1.00 0.00 C ATOM 1215 C PRO A 80 -5.268 -3.732 -1.791 1.00 0.00 C ATOM 1216 O PRO A 80 -4.733 -4.774 -2.170 1.00 0.00 O ATOM 1217 CB PRO A 80 -5.399 -1.749 -3.324 1.00 0.00 C ATOM 1218 CG PRO A 80 -5.724 -0.598 -2.436 1.00 0.00 C ATOM 1219 CD PRO A 80 -7.133 -0.826 -1.961 1.00 0.00 C ATOM 0 HA PRO A 80 -6.514 -3.649 -3.470 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.327 -1.943 -3.344 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.707 -1.556 -4.351 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.032 -0.546 -1.595 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.642 0.346 -2.975 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.283 -0.447 -0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.859 -0.324 -2.601 1.00 0.00 H new ATOM 1227 N SER A 81 -5.106 -3.238 -0.568 1.00 0.00 N ATOM 1228 CA SER A 81 -4.269 -3.907 0.422 1.00 0.00 C ATOM 1229 C SER A 81 -5.031 -5.040 1.101 1.00 0.00 C ATOM 1230 O SER A 81 -4.477 -6.109 1.360 1.00 0.00 O ATOM 1231 CB SER A 81 -3.782 -2.904 1.469 1.00 0.00 C ATOM 1232 OG SER A 81 -3.723 -1.594 0.933 1.00 0.00 O ATOM 0 H SER A 81 -5.543 -2.377 -0.239 1.00 0.00 H new ATOM 0 HA SER A 81 -3.407 -4.331 -0.093 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.451 -2.918 2.329 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.796 -3.198 1.827 1.00 0.00 H new ATOM 0 HG SER A 81 -3.411 -0.972 1.623 1.00 0.00 H new ATOM 1238 N SER A 82 -6.306 -4.799 1.389 1.00 0.00 N ATOM 1239 CA SER A 82 -7.145 -5.797 2.042 1.00 0.00 C ATOM 1240 C SER A 82 -6.523 -6.252 3.358 1.00 0.00 C ATOM 1241 O SER A 82 -5.839 -7.273 3.414 1.00 0.00 O ATOM 1242 CB SER A 82 -7.355 -7.000 1.121 1.00 0.00 C ATOM 1243 OG SER A 82 -8.512 -6.834 0.320 1.00 0.00 O ATOM 0 H SER A 82 -6.781 -3.921 1.180 1.00 0.00 H new ATOM 0 HA SER A 82 -8.111 -5.340 2.256 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.482 -7.129 0.482 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.450 -7.907 1.718 1.00 0.00 H new ATOM 0 HG SER A 82 -8.423 -6.020 -0.218 1.00 0.00 H new ATOM 1249 N GLY A 83 -6.765 -5.485 4.417 1.00 0.00 N ATOM 1250 CA GLY A 83 -6.222 -5.825 5.719 1.00 0.00 C ATOM 1251 C GLY A 83 -4.786 -5.369 5.885 1.00 0.00 C ATOM 1252 O GLY A 83 -3.853 -6.095 5.540 1.00 0.00 O ATOM 0 H GLY A 83 -7.327 -4.634 4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.837 -5.370 6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.276 -6.904 5.861 1.00 0.00 H new TER 1256 GLY A 83