USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 703 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 51 MET CE :methyl 138:sc= -1.22 (180deg=-4.03!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 41 THR OG1 : rot -141:sc= -1.19! USER MOD Set 2.2: A 48 GLN : amide:sc= -6.18! C(o=-18!,f=-36!) USER MOD Set 2.3: A 75 MET CE :methyl -117:sc= -10.9! (180deg=-8.53!) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.101 (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 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -149:sc= 0.211 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.833 K(o=-0.83,f=-3.7!) USER MOD Single : A 26 THR OG1 : rot 150:sc= 0.0504 USER MOD Single : A 31 MET CE :methyl -110:sc= -3.59! (180deg=-8.93!) USER MOD Single : A 34 LYS NZ :NH3+ 147:sc= 1.33 (180deg=-0.856!) USER MOD Single : A 36 GLN : amide:sc= -7.95! C(o=-8!,f=-19!) USER MOD Single : A 44 GLN : amide:sc= -8.54! C(o=-8.5!,f=-10!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= 0.216 (180deg=0.186) USER MOD Single : A 64 ASN : amide:sc= -0.228 K(o=-0.23,f=-2.4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 175:sc= -1.06 (180deg=-1.11) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -2.25 K(o=-2.2,f=-5.2!) USER MOD Single : A 71 MET CE :methyl 156:sc= -0.118 (180deg=-0.627) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -119:sc= 0 (180deg=-0.0342) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0644 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.070 12.471 -18.969 1.00 0.00 N ATOM 2 CA GLY A 1 -5.304 11.780 -19.299 1.00 0.00 C ATOM 3 C GLY A 1 -6.415 12.774 -19.642 1.00 0.00 C ATOM 4 O GLY A 1 -6.164 13.971 -19.772 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.314 12.157 -19.610 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.208 13.497 -19.073 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.803 12.255 -17.987 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.136 11.112 -20.143 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.613 11.159 -18.458 1.00 0.00 H new ATOM 8 N SER A 2 -7.621 12.242 -19.779 1.00 0.00 N ATOM 9 CA SER A 2 -8.771 13.067 -20.104 1.00 0.00 C ATOM 10 C SER A 2 -9.829 12.948 -19.005 1.00 0.00 C ATOM 11 O SER A 2 -10.219 13.947 -18.403 1.00 0.00 O ATOM 12 CB SER A 2 -9.366 12.675 -21.458 1.00 0.00 C ATOM 13 OG SER A 2 -8.728 13.352 -22.538 1.00 0.00 O ATOM 0 H SER A 2 -7.826 11.249 -19.671 1.00 0.00 H new ATOM 0 HA SER A 2 -8.440 14.103 -20.170 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.270 11.598 -21.598 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.432 12.904 -21.466 1.00 0.00 H new ATOM 0 HG SER A 2 -9.135 13.073 -23.385 1.00 0.00 H new ATOM 19 N SER A 3 -10.263 11.717 -18.778 1.00 0.00 N ATOM 20 CA SER A 3 -11.268 11.454 -17.762 1.00 0.00 C ATOM 21 C SER A 3 -11.166 10.002 -17.289 1.00 0.00 C ATOM 22 O SER A 3 -10.976 9.744 -16.101 1.00 0.00 O ATOM 23 CB SER A 3 -12.674 11.742 -18.290 1.00 0.00 C ATOM 24 OG SER A 3 -13.215 12.941 -17.742 1.00 0.00 O ATOM 0 H SER A 3 -9.937 10.891 -19.280 1.00 0.00 H new ATOM 0 HA SER A 3 -11.083 12.119 -16.918 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.644 11.821 -19.377 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.330 10.905 -18.050 1.00 0.00 H new ATOM 0 HG SER A 3 -14.113 13.091 -18.105 1.00 0.00 H new ATOM 30 N GLY A 4 -11.298 9.092 -18.243 1.00 0.00 N ATOM 31 CA GLY A 4 -11.223 7.673 -17.939 1.00 0.00 C ATOM 32 C GLY A 4 -9.777 7.176 -17.993 1.00 0.00 C ATOM 33 O GLY A 4 -9.160 7.168 -19.057 1.00 0.00 O ATOM 0 H GLY A 4 -11.456 9.310 -19.227 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.638 7.487 -16.948 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.831 7.113 -18.650 1.00 0.00 H new ATOM 37 N SER A 5 -9.279 6.773 -16.834 1.00 0.00 N ATOM 38 CA SER A 5 -7.917 6.275 -16.736 1.00 0.00 C ATOM 39 C SER A 5 -7.897 4.953 -15.968 1.00 0.00 C ATOM 40 O SER A 5 -8.801 4.674 -15.181 1.00 0.00 O ATOM 41 CB SER A 5 -7.005 7.298 -16.056 1.00 0.00 C ATOM 42 OG SER A 5 -5.775 7.466 -16.757 1.00 0.00 O ATOM 0 H SER A 5 -9.794 6.781 -15.954 1.00 0.00 H new ATOM 0 HA SER A 5 -7.541 6.107 -17.745 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.520 8.257 -15.992 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.799 6.978 -15.035 1.00 0.00 H new ATOM 0 HG SER A 5 -5.222 8.128 -16.292 1.00 0.00 H new ATOM 48 N SER A 6 -6.857 4.173 -16.223 1.00 0.00 N ATOM 49 CA SER A 6 -6.707 2.886 -15.565 1.00 0.00 C ATOM 50 C SER A 6 -6.457 3.089 -14.069 1.00 0.00 C ATOM 51 O SER A 6 -7.157 2.517 -13.235 1.00 0.00 O ATOM 52 CB SER A 6 -5.568 2.077 -16.189 1.00 0.00 C ATOM 53 OG SER A 6 -6.011 1.300 -17.298 1.00 0.00 O ATOM 0 H SER A 6 -6.110 4.407 -16.876 1.00 0.00 H new ATOM 0 HA SER A 6 -7.631 2.324 -15.699 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.778 2.754 -16.513 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.135 1.419 -15.435 1.00 0.00 H new ATOM 0 HG SER A 6 -5.255 0.800 -17.670 1.00 0.00 H new ATOM 59 N GLY A 7 -5.456 3.905 -13.775 1.00 0.00 N ATOM 60 CA GLY A 7 -5.104 4.191 -12.394 1.00 0.00 C ATOM 61 C GLY A 7 -6.355 4.288 -11.518 1.00 0.00 C ATOM 62 O GLY A 7 -7.171 5.192 -11.693 1.00 0.00 O ATOM 0 H GLY A 7 -4.877 4.378 -14.469 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.448 3.408 -12.013 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.547 5.126 -12.343 1.00 0.00 H new ATOM 66 N TYR A 8 -6.466 3.344 -10.595 1.00 0.00 N ATOM 67 CA TYR A 8 -7.604 3.311 -9.692 1.00 0.00 C ATOM 68 C TYR A 8 -7.290 4.048 -8.388 1.00 0.00 C ATOM 69 O TYR A 8 -6.130 4.336 -8.098 1.00 0.00 O ATOM 70 CB TYR A 8 -7.854 1.834 -9.382 1.00 0.00 C ATOM 71 CG TYR A 8 -8.438 1.042 -10.553 1.00 0.00 C ATOM 72 CD1 TYR A 8 -7.611 0.585 -11.558 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.794 0.786 -10.604 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.161 -0.160 -12.661 1.00 0.00 C ATOM 75 CE2 TYR A 8 -10.344 0.040 -11.707 1.00 0.00 C ATOM 76 CZ TYR A 8 -9.501 -0.396 -12.681 1.00 0.00 C ATOM 77 OH TYR A 8 -10.021 -1.099 -13.722 1.00 0.00 O ATOM 0 H TYR A 8 -5.787 2.596 -10.453 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.469 3.795 -10.146 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.914 1.373 -9.078 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.534 1.762 -8.533 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.551 0.786 -11.518 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.442 1.145 -9.818 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.524 -0.523 -13.454 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.402 -0.168 -11.759 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.989 -1.192 -13.603 1.00 0.00 H new ATOM 87 N SER A 9 -8.344 4.331 -7.637 1.00 0.00 N ATOM 88 CA SER A 9 -8.196 5.028 -6.371 1.00 0.00 C ATOM 89 C SER A 9 -8.692 4.145 -5.226 1.00 0.00 C ATOM 90 O SER A 9 -9.839 3.699 -5.232 1.00 0.00 O ATOM 91 CB SER A 9 -8.953 6.358 -6.383 1.00 0.00 C ATOM 92 OG SER A 9 -9.109 6.872 -7.703 1.00 0.00 O ATOM 0 H SER A 9 -9.305 4.090 -7.881 1.00 0.00 H new ATOM 0 HA SER A 9 -7.138 5.244 -6.221 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.934 6.221 -5.929 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.418 7.085 -5.772 1.00 0.00 H new ATOM 0 HG SER A 9 -9.598 7.720 -7.668 1.00 0.00 H new ATOM 98 N VAL A 10 -7.805 3.917 -4.269 1.00 0.00 N ATOM 99 CA VAL A 10 -8.138 3.094 -3.118 1.00 0.00 C ATOM 100 C VAL A 10 -7.682 3.802 -1.841 1.00 0.00 C ATOM 101 O VAL A 10 -7.047 4.854 -1.903 1.00 0.00 O ATOM 102 CB VAL A 10 -7.531 1.699 -3.279 1.00 0.00 C ATOM 103 CG1 VAL A 10 -8.047 1.019 -4.548 1.00 0.00 C ATOM 104 CG2 VAL A 10 -6.002 1.763 -3.273 1.00 0.00 C ATOM 0 H VAL A 10 -6.855 4.288 -4.267 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.217 2.957 -3.045 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.845 1.097 -2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.600 0.029 -4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.131 0.924 -4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.778 1.619 -5.417 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.595 0.758 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.661 2.390 -4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.659 2.186 -2.329 1.00 0.00 H new ATOM 114 N THR A 11 -8.024 3.197 -0.713 1.00 0.00 N ATOM 115 CA THR A 11 -7.658 3.756 0.577 1.00 0.00 C ATOM 116 C THR A 11 -6.782 2.772 1.356 1.00 0.00 C ATOM 117 O THR A 11 -7.190 1.640 1.610 1.00 0.00 O ATOM 118 CB THR A 11 -8.945 4.136 1.311 1.00 0.00 C ATOM 119 OG1 THR A 11 -9.263 5.430 0.807 1.00 0.00 O ATOM 120 CG2 THR A 11 -8.721 4.363 2.807 1.00 0.00 C ATOM 0 H THR A 11 -8.551 2.325 -0.666 1.00 0.00 H new ATOM 0 HA THR A 11 -7.056 4.657 0.460 1.00 0.00 H new ATOM 0 HB THR A 11 -9.688 3.351 1.171 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.725 5.947 1.500 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.666 4.630 3.280 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.334 3.450 3.260 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.003 5.171 2.949 1.00 0.00 H new ATOM 128 N VAL A 12 -5.595 3.240 1.712 1.00 0.00 N ATOM 129 CA VAL A 12 -4.659 2.415 2.457 1.00 0.00 C ATOM 130 C VAL A 12 -4.903 2.600 3.956 1.00 0.00 C ATOM 131 O VAL A 12 -4.841 3.717 4.466 1.00 0.00 O ATOM 132 CB VAL A 12 -3.224 2.746 2.040 1.00 0.00 C ATOM 133 CG1 VAL A 12 -2.227 2.318 3.119 1.00 0.00 C ATOM 134 CG2 VAL A 12 -2.883 2.105 0.693 1.00 0.00 C ATOM 0 H VAL A 12 -5.260 4.179 1.499 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.815 1.360 2.230 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.149 3.827 1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.215 2.564 2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.450 2.841 4.049 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.305 1.243 3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.858 2.356 0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.984 1.022 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.564 2.480 -0.071 1.00 0.00 H new ATOM 144 N LYS A 13 -5.176 1.486 4.620 1.00 0.00 N ATOM 145 CA LYS A 13 -5.430 1.511 6.050 1.00 0.00 C ATOM 146 C LYS A 13 -4.336 0.721 6.772 1.00 0.00 C ATOM 147 O LYS A 13 -4.271 -0.502 6.658 1.00 0.00 O ATOM 148 CB LYS A 13 -6.846 1.017 6.352 1.00 0.00 C ATOM 149 CG LYS A 13 -7.656 2.089 7.084 1.00 0.00 C ATOM 150 CD LYS A 13 -8.622 1.455 8.088 1.00 0.00 C ATOM 151 CE LYS A 13 -9.860 0.899 7.382 1.00 0.00 C ATOM 152 NZ LYS A 13 -11.091 1.309 8.093 1.00 0.00 N ATOM 0 H LYS A 13 -5.227 0.561 4.194 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.387 2.533 6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.348 0.749 5.422 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.798 0.114 6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.981 2.769 7.603 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.215 2.684 6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.117 0.654 8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.923 2.198 8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.891 1.258 6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.803 -0.189 7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.921 0.923 7.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.067 0.946 9.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.151 2.347 8.112 1.00 0.00 H new ATOM 166 N TRP A 14 -3.504 1.452 7.498 1.00 0.00 N ATOM 167 CA TRP A 14 -2.416 0.835 8.239 1.00 0.00 C ATOM 168 C TRP A 14 -2.639 1.113 9.727 1.00 0.00 C ATOM 169 O TRP A 14 -2.253 2.167 10.229 1.00 0.00 O ATOM 170 CB TRP A 14 -1.059 1.331 7.735 1.00 0.00 C ATOM 171 CG TRP A 14 0.133 0.540 8.277 1.00 0.00 C ATOM 172 CD1 TRP A 14 0.210 -0.776 8.516 1.00 0.00 C ATOM 173 CD2 TRP A 14 1.424 1.073 8.641 1.00 0.00 C ATOM 174 NE1 TRP A 14 1.451 -1.130 9.005 1.00 0.00 N ATOM 175 CE2 TRP A 14 2.212 0.030 9.084 1.00 0.00 C ATOM 176 CE3 TRP A 14 1.909 2.392 8.598 1.00 0.00 C ATOM 177 CZ2 TRP A 14 3.533 0.199 9.516 1.00 0.00 C ATOM 178 CZ3 TRP A 14 3.231 2.543 9.033 1.00 0.00 C ATOM 179 CH2 TRP A 14 4.038 1.504 9.482 1.00 0.00 C ATOM 0 H TRP A 14 -3.561 2.466 7.589 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.408 -0.244 8.084 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.048 1.284 6.646 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.942 2.379 8.010 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -0.598 -1.473 8.347 1.00 0.00 H new ATOM 0 HE1 TRP A 14 1.754 -2.070 9.261 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.309 3.223 8.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.131 -0.633 9.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.654 3.537 9.019 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.050 1.703 9.803 1.00 0.00 H new ATOM 190 N GLY A 15 -3.262 0.149 10.389 1.00 0.00 N ATOM 191 CA GLY A 15 -3.541 0.277 11.809 1.00 0.00 C ATOM 192 C GLY A 15 -3.910 1.718 12.168 1.00 0.00 C ATOM 193 O GLY A 15 -4.756 2.327 11.516 1.00 0.00 O ATOM 0 H GLY A 15 -3.581 -0.724 9.968 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.357 -0.391 12.084 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.668 -0.033 12.384 1.00 0.00 H new ATOM 197 N LYS A 16 -3.256 2.222 13.204 1.00 0.00 N ATOM 198 CA LYS A 16 -3.504 3.580 13.658 1.00 0.00 C ATOM 199 C LYS A 16 -3.368 4.541 12.475 1.00 0.00 C ATOM 200 O LYS A 16 -4.117 5.511 12.370 1.00 0.00 O ATOM 201 CB LYS A 16 -2.595 3.925 14.839 1.00 0.00 C ATOM 202 CG LYS A 16 -3.289 4.890 15.802 1.00 0.00 C ATOM 203 CD LYS A 16 -2.333 5.994 16.257 1.00 0.00 C ATOM 204 CE LYS A 16 -3.102 7.173 16.856 1.00 0.00 C ATOM 205 NZ LYS A 16 -3.683 6.802 18.165 1.00 0.00 N ATOM 0 H LYS A 16 -2.554 1.714 13.742 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.523 3.677 14.032 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.319 3.013 15.369 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.671 4.373 14.473 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.157 5.334 15.315 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.656 4.342 16.670 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.637 5.596 16.996 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.738 6.336 15.410 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.435 8.026 16.977 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.894 7.482 16.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.201 7.614 18.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.335 6.002 18.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.921 6.529 18.818 1.00 0.00 H new ATOM 219 N GLU A 17 -2.408 4.237 11.614 1.00 0.00 N ATOM 220 CA GLU A 17 -2.164 5.062 10.443 1.00 0.00 C ATOM 221 C GLU A 17 -3.304 4.901 9.435 1.00 0.00 C ATOM 222 O GLU A 17 -3.883 3.823 9.314 1.00 0.00 O ATOM 223 CB GLU A 17 -0.816 4.723 9.805 1.00 0.00 C ATOM 224 CG GLU A 17 0.342 5.216 10.676 1.00 0.00 C ATOM 225 CD GLU A 17 0.247 6.725 10.911 1.00 0.00 C ATOM 226 OE1 GLU A 17 0.775 7.467 10.055 1.00 0.00 O ATOM 227 OE2 GLU A 17 -0.350 7.102 11.942 1.00 0.00 O ATOM 0 H GLU A 17 -1.790 3.431 11.704 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.127 6.105 10.758 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.737 3.645 9.665 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.752 5.179 8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.330 4.694 11.633 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.291 4.978 10.195 1.00 0.00 H new ATOM 234 N LYS A 18 -3.591 5.990 8.736 1.00 0.00 N ATOM 235 CA LYS A 18 -4.650 5.983 7.742 1.00 0.00 C ATOM 236 C LYS A 18 -4.228 6.840 6.547 1.00 0.00 C ATOM 237 O LYS A 18 -3.664 7.919 6.720 1.00 0.00 O ATOM 238 CB LYS A 18 -5.977 6.415 8.370 1.00 0.00 C ATOM 239 CG LYS A 18 -7.067 6.556 7.306 1.00 0.00 C ATOM 240 CD LYS A 18 -8.408 6.031 7.822 1.00 0.00 C ATOM 241 CE LYS A 18 -8.937 6.905 8.961 1.00 0.00 C ATOM 242 NZ LYS A 18 -10.216 6.367 9.475 1.00 0.00 N ATOM 0 H LYS A 18 -3.108 6.883 8.839 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.814 4.972 7.368 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.285 5.683 9.117 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.846 7.364 8.889 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.168 7.603 7.020 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.778 6.007 6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.132 6.011 7.008 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.291 5.005 8.170 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.203 6.947 9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.081 7.926 8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.562 6.972 10.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.918 6.350 8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.068 5.401 9.831 1.00 0.00 H new ATOM 256 N PHE A 19 -4.516 6.327 5.360 1.00 0.00 N ATOM 257 CA PHE A 19 -4.173 7.031 4.136 1.00 0.00 C ATOM 258 C PHE A 19 -5.319 6.963 3.125 1.00 0.00 C ATOM 259 O PHE A 19 -5.674 5.883 2.656 1.00 0.00 O ATOM 260 CB PHE A 19 -2.946 6.333 3.547 1.00 0.00 C ATOM 261 CG PHE A 19 -1.777 6.198 4.525 1.00 0.00 C ATOM 262 CD1 PHE A 19 -0.850 7.188 4.618 1.00 0.00 C ATOM 263 CD2 PHE A 19 -1.666 5.087 5.302 1.00 0.00 C ATOM 264 CE1 PHE A 19 0.235 7.063 5.525 1.00 0.00 C ATOM 265 CE2 PHE A 19 -0.581 4.962 6.210 1.00 0.00 C ATOM 266 CZ PHE A 19 0.346 5.952 6.303 1.00 0.00 C ATOM 0 H PHE A 19 -4.983 5.431 5.220 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.978 8.081 4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.236 5.340 3.204 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.611 6.888 2.671 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.939 8.070 4.001 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.402 4.300 5.229 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.972 7.849 5.598 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.492 4.080 6.827 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.170 5.857 6.994 1.00 0.00 H new ATOM 276 N GLU A 20 -5.865 8.130 2.818 1.00 0.00 N ATOM 277 CA GLU A 20 -6.964 8.217 1.870 1.00 0.00 C ATOM 278 C GLU A 20 -6.577 9.109 0.689 1.00 0.00 C ATOM 279 O GLU A 20 -6.186 10.260 0.878 1.00 0.00 O ATOM 280 CB GLU A 20 -8.235 8.728 2.550 1.00 0.00 C ATOM 281 CG GLU A 20 -8.646 7.813 3.705 1.00 0.00 C ATOM 282 CD GLU A 20 -10.169 7.732 3.826 1.00 0.00 C ATOM 283 OE1 GLU A 20 -10.787 7.217 2.869 1.00 0.00 O ATOM 284 OE2 GLU A 20 -10.680 8.187 4.872 1.00 0.00 O ATOM 0 H GLU A 20 -5.567 9.024 3.209 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.171 7.216 1.491 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.071 9.739 2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.044 8.785 1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.237 6.815 3.546 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.223 8.186 4.638 1.00 0.00 H new ATOM 291 N GLY A 21 -6.698 8.543 -0.503 1.00 0.00 N ATOM 292 CA GLY A 21 -6.366 9.273 -1.715 1.00 0.00 C ATOM 293 C GLY A 21 -5.010 8.829 -2.267 1.00 0.00 C ATOM 294 O GLY A 21 -4.175 9.662 -2.616 1.00 0.00 O ATOM 0 H GLY A 21 -7.021 7.588 -0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.139 9.110 -2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.345 10.343 -1.506 1.00 0.00 H new ATOM 298 N VAL A 22 -4.832 7.518 -2.329 1.00 0.00 N ATOM 299 CA VAL A 22 -3.591 6.953 -2.833 1.00 0.00 C ATOM 300 C VAL A 22 -3.767 6.581 -4.307 1.00 0.00 C ATOM 301 O VAL A 22 -4.856 6.195 -4.728 1.00 0.00 O ATOM 302 CB VAL A 22 -3.164 5.769 -1.964 1.00 0.00 C ATOM 303 CG1 VAL A 22 -1.877 5.135 -2.496 1.00 0.00 C ATOM 304 CG2 VAL A 22 -3.004 6.190 -0.502 1.00 0.00 C ATOM 0 H VAL A 22 -5.527 6.830 -2.039 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.787 7.686 -2.777 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.952 5.018 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.595 4.296 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.040 4.781 -3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.078 5.876 -2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.700 5.329 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.245 6.968 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.953 6.573 -0.128 1.00 0.00 H new ATOM 314 N GLU A 23 -2.678 6.712 -5.051 1.00 0.00 N ATOM 315 CA GLU A 23 -2.699 6.394 -6.469 1.00 0.00 C ATOM 316 C GLU A 23 -2.357 4.919 -6.687 1.00 0.00 C ATOM 317 O GLU A 23 -1.337 4.435 -6.197 1.00 0.00 O ATOM 318 CB GLU A 23 -1.742 7.300 -7.247 1.00 0.00 C ATOM 319 CG GLU A 23 -2.431 8.603 -7.656 1.00 0.00 C ATOM 320 CD GLU A 23 -2.255 8.871 -9.152 1.00 0.00 C ATOM 321 OE1 GLU A 23 -3.080 8.339 -9.925 1.00 0.00 O ATOM 322 OE2 GLU A 23 -1.298 9.601 -9.489 1.00 0.00 O ATOM 0 H GLU A 23 -1.776 7.034 -4.699 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.705 6.573 -6.848 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.868 7.523 -6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.384 6.779 -8.135 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.493 8.548 -7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.017 9.433 -7.083 1.00 0.00 H new ATOM 329 N LEU A 24 -3.228 4.245 -7.423 1.00 0.00 N ATOM 330 CA LEU A 24 -3.032 2.835 -7.712 1.00 0.00 C ATOM 331 C LEU A 24 -3.173 2.603 -9.218 1.00 0.00 C ATOM 332 O LEU A 24 -4.027 3.207 -9.865 1.00 0.00 O ATOM 333 CB LEU A 24 -3.975 1.978 -6.866 1.00 0.00 C ATOM 334 CG LEU A 24 -4.282 0.581 -7.411 1.00 0.00 C ATOM 335 CD1 LEU A 24 -3.268 -0.443 -6.897 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.722 0.172 -7.092 1.00 0.00 C ATOM 0 H LEU A 24 -4.072 4.650 -7.828 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.024 2.526 -7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.543 1.871 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.916 2.516 -6.749 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.189 0.610 -8.497 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.509 -1.427 -7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.266 -0.156 -7.217 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.305 -0.477 -5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.914 -0.824 -7.490 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.868 0.165 -6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.411 0.883 -7.546 1.00 0.00 H new ATOM 348 N ASN A 25 -2.323 1.726 -9.732 1.00 0.00 N ATOM 349 CA ASN A 25 -2.342 1.407 -11.149 1.00 0.00 C ATOM 350 C ASN A 25 -2.380 -0.112 -11.325 1.00 0.00 C ATOM 351 O ASN A 25 -1.719 -0.843 -10.589 1.00 0.00 O ATOM 352 CB ASN A 25 -1.088 1.933 -11.850 1.00 0.00 C ATOM 353 CG ASN A 25 -1.288 3.373 -12.326 1.00 0.00 C ATOM 354 OD1 ASN A 25 -2.223 4.056 -11.943 1.00 0.00 O ATOM 355 ND2 ASN A 25 -0.360 3.793 -13.181 1.00 0.00 N ATOM 0 H ASN A 25 -1.617 1.226 -9.192 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.223 1.876 -11.588 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.239 1.887 -11.168 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.848 1.295 -12.701 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.405 4.740 -13.558 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.397 3.168 -13.460 1.00 0.00 H new ATOM 362 N THR A 26 -3.162 -0.543 -12.304 1.00 0.00 N ATOM 363 CA THR A 26 -3.295 -1.963 -12.586 1.00 0.00 C ATOM 364 C THR A 26 -2.458 -2.344 -13.809 1.00 0.00 C ATOM 365 O THR A 26 -1.995 -3.478 -13.919 1.00 0.00 O ATOM 366 CB THR A 26 -4.784 -2.275 -12.747 1.00 0.00 C ATOM 367 OG1 THR A 26 -5.253 -1.275 -13.647 1.00 0.00 O ATOM 368 CG2 THR A 26 -5.577 -2.023 -11.463 1.00 0.00 C ATOM 0 H THR A 26 -3.710 0.066 -12.912 1.00 0.00 H new ATOM 0 HA THR A 26 -2.908 -2.568 -11.766 1.00 0.00 H new ATOM 0 HB THR A 26 -4.906 -3.315 -13.051 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.000 -1.631 -14.172 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.627 -2.260 -11.632 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.186 -2.654 -10.664 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.483 -0.975 -11.177 1.00 0.00 H new ATOM 376 N ASP A 27 -2.291 -1.376 -14.697 1.00 0.00 N ATOM 377 CA ASP A 27 -1.518 -1.596 -15.908 1.00 0.00 C ATOM 378 C ASP A 27 -0.154 -2.183 -15.538 1.00 0.00 C ATOM 379 O ASP A 27 0.454 -2.898 -16.332 1.00 0.00 O ATOM 380 CB ASP A 27 -1.280 -0.283 -16.656 1.00 0.00 C ATOM 381 CG ASP A 27 -0.914 -0.438 -18.133 1.00 0.00 C ATOM 382 OD1 ASP A 27 -1.083 -1.565 -18.645 1.00 0.00 O ATOM 383 OD2 ASP A 27 -0.472 0.575 -18.717 1.00 0.00 O ATOM 0 H ASP A 27 -2.678 -0.437 -14.603 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.079 -2.278 -16.547 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.180 0.328 -16.582 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.481 0.264 -16.155 1.00 0.00 H new ATOM 388 N GLU A 28 0.286 -1.859 -14.331 1.00 0.00 N ATOM 389 CA GLU A 28 1.566 -2.345 -13.846 1.00 0.00 C ATOM 390 C GLU A 28 1.357 -3.473 -12.834 1.00 0.00 C ATOM 391 O GLU A 28 0.223 -3.865 -12.561 1.00 0.00 O ATOM 392 CB GLU A 28 2.389 -1.208 -13.237 1.00 0.00 C ATOM 393 CG GLU A 28 1.794 0.155 -13.597 1.00 0.00 C ATOM 394 CD GLU A 28 1.666 0.313 -15.114 1.00 0.00 C ATOM 395 OE1 GLU A 28 1.961 -0.679 -15.815 1.00 0.00 O ATOM 396 OE2 GLU A 28 1.278 1.423 -15.537 1.00 0.00 O ATOM 0 H GLU A 28 -0.221 -1.266 -13.675 1.00 0.00 H new ATOM 0 HA GLU A 28 2.126 -2.742 -14.693 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.423 -1.319 -12.153 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.417 -1.266 -13.595 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.814 0.262 -13.132 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.425 0.949 -13.197 1.00 0.00 H new ATOM 403 N PRO A 29 2.497 -3.977 -12.291 1.00 0.00 N ATOM 404 CA PRO A 29 2.450 -5.053 -11.315 1.00 0.00 C ATOM 405 C PRO A 29 1.988 -4.536 -9.951 1.00 0.00 C ATOM 406 O PRO A 29 1.948 -3.328 -9.722 1.00 0.00 O ATOM 407 CB PRO A 29 3.859 -5.622 -11.288 1.00 0.00 C ATOM 408 CG PRO A 29 4.752 -4.554 -11.899 1.00 0.00 C ATOM 409 CD PRO A 29 3.857 -3.538 -12.590 1.00 0.00 C ATOM 0 HA PRO A 29 1.728 -5.826 -11.576 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.168 -5.853 -10.268 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.916 -6.551 -11.856 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.353 -4.072 -11.128 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.446 -4.999 -12.612 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.039 -2.531 -12.216 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.039 -3.516 -13.665 1.00 0.00 H new ATOM 417 N PRO A 30 1.641 -5.501 -9.058 1.00 0.00 N ATOM 418 CA PRO A 30 1.183 -5.156 -7.723 1.00 0.00 C ATOM 419 C PRO A 30 2.351 -4.711 -6.841 1.00 0.00 C ATOM 420 O PRO A 30 2.144 -4.122 -5.781 1.00 0.00 O ATOM 421 CB PRO A 30 0.493 -6.408 -7.208 1.00 0.00 C ATOM 422 CG PRO A 30 0.993 -7.548 -8.080 1.00 0.00 C ATOM 423 CD PRO A 30 1.675 -6.941 -9.295 1.00 0.00 C ATOM 0 HA PRO A 30 0.497 -4.309 -7.719 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.734 -6.584 -6.160 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.591 -6.312 -7.274 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.690 -8.176 -7.525 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.164 -8.186 -8.387 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.699 -7.302 -9.396 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.152 -7.203 -10.215 1.00 0.00 H new ATOM 431 N MET A 31 3.554 -5.009 -7.311 1.00 0.00 N ATOM 432 CA MET A 31 4.755 -4.647 -6.578 1.00 0.00 C ATOM 433 C MET A 31 4.899 -3.127 -6.478 1.00 0.00 C ATOM 434 O MET A 31 5.471 -2.616 -5.517 1.00 0.00 O ATOM 435 CB MET A 31 5.980 -5.231 -7.285 1.00 0.00 C ATOM 436 CG MET A 31 5.791 -6.723 -7.567 1.00 0.00 C ATOM 437 SD MET A 31 7.350 -7.577 -7.406 1.00 0.00 S ATOM 438 CE MET A 31 7.625 -7.392 -5.652 1.00 0.00 C ATOM 0 H MET A 31 3.722 -5.497 -8.191 1.00 0.00 H new ATOM 0 HA MET A 31 4.679 -5.053 -5.569 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.152 -4.699 -8.221 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.866 -5.083 -6.667 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.063 -7.143 -6.873 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.392 -6.864 -8.571 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.453 -6.704 -5.484 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.724 -6.997 -5.182 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.866 -8.362 -5.217 1.00 0.00 H new ATOM 448 N VAL A 32 4.370 -2.447 -7.485 1.00 0.00 N ATOM 449 CA VAL A 32 4.433 -0.996 -7.523 1.00 0.00 C ATOM 450 C VAL A 32 3.591 -0.424 -6.381 1.00 0.00 C ATOM 451 O VAL A 32 4.109 0.281 -5.516 1.00 0.00 O ATOM 452 CB VAL A 32 3.998 -0.489 -8.899 1.00 0.00 C ATOM 453 CG1 VAL A 32 3.854 1.034 -8.902 1.00 0.00 C ATOM 454 CG2 VAL A 32 4.971 -0.950 -9.986 1.00 0.00 C ATOM 0 H VAL A 32 3.896 -2.874 -8.281 1.00 0.00 H new ATOM 0 HA VAL A 32 5.457 -0.654 -7.375 1.00 0.00 H new ATOM 0 HB VAL A 32 3.021 -0.918 -9.120 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.544 1.368 -9.892 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.105 1.330 -8.168 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.811 1.490 -8.648 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.639 -0.576 -10.954 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.967 -0.564 -9.770 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.001 -2.039 -10.009 1.00 0.00 H new ATOM 464 N PHE A 33 2.307 -0.748 -6.415 1.00 0.00 N ATOM 465 CA PHE A 33 1.388 -0.275 -5.394 1.00 0.00 C ATOM 466 C PHE A 33 1.945 -0.533 -3.993 1.00 0.00 C ATOM 467 O PHE A 33 1.670 0.223 -3.062 1.00 0.00 O ATOM 468 CB PHE A 33 0.086 -1.061 -5.565 1.00 0.00 C ATOM 469 CG PHE A 33 -0.992 -0.710 -4.538 1.00 0.00 C ATOM 470 CD1 PHE A 33 -1.664 0.469 -4.633 1.00 0.00 C ATOM 471 CD2 PHE A 33 -1.279 -1.576 -3.529 1.00 0.00 C ATOM 472 CE1 PHE A 33 -2.665 0.795 -3.680 1.00 0.00 C ATOM 473 CE2 PHE A 33 -2.280 -1.250 -2.577 1.00 0.00 C ATOM 474 CZ PHE A 33 -2.952 -0.071 -2.672 1.00 0.00 C ATOM 0 H PHE A 33 1.881 -1.333 -7.134 1.00 0.00 H new ATOM 0 HA PHE A 33 1.233 0.798 -5.502 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.307 -0.880 -6.565 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.305 -2.127 -5.497 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.436 1.157 -5.433 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.745 -2.512 -3.452 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.198 1.731 -3.756 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.508 -1.938 -1.777 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.713 0.177 -1.947 1.00 0.00 H new ATOM 484 N LYS A 34 2.720 -1.603 -3.886 1.00 0.00 N ATOM 485 CA LYS A 34 3.318 -1.969 -2.614 1.00 0.00 C ATOM 486 C LYS A 34 4.594 -1.152 -2.401 1.00 0.00 C ATOM 487 O LYS A 34 4.995 -0.905 -1.265 1.00 0.00 O ATOM 488 CB LYS A 34 3.538 -3.482 -2.542 1.00 0.00 C ATOM 489 CG LYS A 34 2.207 -4.233 -2.609 1.00 0.00 C ATOM 490 CD LYS A 34 2.434 -5.741 -2.735 1.00 0.00 C ATOM 491 CE LYS A 34 1.125 -6.468 -3.053 1.00 0.00 C ATOM 492 NZ LYS A 34 1.357 -7.925 -3.170 1.00 0.00 N ATOM 0 H LYS A 34 2.947 -2.228 -4.660 1.00 0.00 H new ATOM 0 HA LYS A 34 2.644 -1.728 -1.792 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.180 -3.799 -3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.056 -3.734 -1.617 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.622 -4.023 -1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.627 -3.877 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.164 -5.938 -3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.853 -6.128 -1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.393 -6.272 -2.269 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.706 -6.085 -3.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.518 -8.438 -2.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.536 -8.169 -4.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.181 -8.193 -2.594 1.00 0.00 H new ATOM 506 N ALA A 35 5.196 -0.754 -3.512 1.00 0.00 N ATOM 507 CA ALA A 35 6.418 0.030 -3.462 1.00 0.00 C ATOM 508 C ALA A 35 6.102 1.425 -2.918 1.00 0.00 C ATOM 509 O ALA A 35 6.899 2.003 -2.180 1.00 0.00 O ATOM 510 CB ALA A 35 7.053 0.078 -4.853 1.00 0.00 C ATOM 0 H ALA A 35 4.860 -0.960 -4.453 1.00 0.00 H new ATOM 0 HA ALA A 35 7.141 -0.431 -2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.970 0.666 -4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.286 -0.935 -5.182 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.357 0.537 -5.555 1.00 0.00 H new ATOM 516 N GLN A 36 4.936 1.925 -3.302 1.00 0.00 N ATOM 517 CA GLN A 36 4.505 3.240 -2.862 1.00 0.00 C ATOM 518 C GLN A 36 4.164 3.215 -1.370 1.00 0.00 C ATOM 519 O GLN A 36 4.626 4.065 -0.610 1.00 0.00 O ATOM 520 CB GLN A 36 3.315 3.732 -3.688 1.00 0.00 C ATOM 521 CG GLN A 36 2.774 5.054 -3.138 1.00 0.00 C ATOM 522 CD GLN A 36 1.247 5.100 -3.225 1.00 0.00 C ATOM 523 OE1 GLN A 36 0.546 4.221 -2.752 1.00 0.00 O ATOM 524 NE2 GLN A 36 0.773 6.172 -3.854 1.00 0.00 N ATOM 0 H GLN A 36 4.277 1.442 -3.913 1.00 0.00 H new ATOM 0 HA GLN A 36 5.326 3.940 -3.016 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.618 3.863 -4.727 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.526 2.980 -3.679 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.087 5.176 -2.101 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.199 5.886 -3.699 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.416 6.871 -4.227 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.234 6.295 -3.964 1.00 0.00 H new ATOM 533 N LEU A 37 3.357 2.233 -0.997 1.00 0.00 N ATOM 534 CA LEU A 37 2.949 2.086 0.390 1.00 0.00 C ATOM 535 C LEU A 37 4.180 2.184 1.293 1.00 0.00 C ATOM 536 O LEU A 37 4.072 2.564 2.458 1.00 0.00 O ATOM 537 CB LEU A 37 2.149 0.796 0.579 1.00 0.00 C ATOM 538 CG LEU A 37 0.782 0.748 -0.107 1.00 0.00 C ATOM 539 CD1 LEU A 37 -0.247 0.030 0.768 1.00 0.00 C ATOM 540 CD2 LEU A 37 0.318 2.151 -0.504 1.00 0.00 C ATOM 0 H LEU A 37 2.975 1.531 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 37 2.278 2.895 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.748 -0.037 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.003 0.635 1.647 1.00 0.00 H new ATOM 0 HG LEU A 37 0.882 0.170 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.209 0.010 0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.085 -0.991 0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.351 0.558 1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.656 2.088 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.240 2.774 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.039 2.591 -1.193 1.00 0.00 H new ATOM 552 N PHE A 38 5.323 1.834 0.721 1.00 0.00 N ATOM 553 CA PHE A 38 6.574 1.878 1.459 1.00 0.00 C ATOM 554 C PHE A 38 6.892 3.303 1.916 1.00 0.00 C ATOM 555 O PHE A 38 7.432 3.505 3.002 1.00 0.00 O ATOM 556 CB PHE A 38 7.673 1.403 0.507 1.00 0.00 C ATOM 557 CG PHE A 38 8.832 0.686 1.202 1.00 0.00 C ATOM 558 CD1 PHE A 38 9.140 0.984 2.493 1.00 0.00 C ATOM 559 CD2 PHE A 38 9.554 -0.250 0.529 1.00 0.00 C ATOM 560 CE1 PHE A 38 10.215 0.318 3.138 1.00 0.00 C ATOM 561 CE2 PHE A 38 10.629 -0.916 1.174 1.00 0.00 C ATOM 562 CZ PHE A 38 10.937 -0.618 2.465 1.00 0.00 C ATOM 0 H PHE A 38 5.409 1.519 -0.245 1.00 0.00 H new ATOM 0 HA PHE A 38 6.504 1.248 2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.235 0.732 -0.231 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.065 2.263 -0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 38 8.567 1.727 3.027 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.309 -0.486 -0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 38 10.460 0.554 4.163 1.00 0.00 H new ATOM 0 HE2 PHE A 38 11.202 -1.659 0.640 1.00 0.00 H new ATOM 0 HZ PHE A 38 11.755 -1.125 2.956 1.00 0.00 H new ATOM 572 N ALA A 39 6.543 4.255 1.062 1.00 0.00 N ATOM 573 CA ALA A 39 6.785 5.656 1.364 1.00 0.00 C ATOM 574 C ALA A 39 5.546 6.249 2.039 1.00 0.00 C ATOM 575 O ALA A 39 5.556 7.406 2.456 1.00 0.00 O ATOM 576 CB ALA A 39 7.160 6.398 0.080 1.00 0.00 C ATOM 0 H ALA A 39 6.095 4.084 0.162 1.00 0.00 H new ATOM 0 HA ALA A 39 7.620 5.760 2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.341 7.449 0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.062 5.957 -0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.344 6.317 -0.638 1.00 0.00 H new ATOM 582 N LEU A 40 4.509 5.429 2.125 1.00 0.00 N ATOM 583 CA LEU A 40 3.266 5.857 2.742 1.00 0.00 C ATOM 584 C LEU A 40 3.209 5.338 4.181 1.00 0.00 C ATOM 585 O LEU A 40 2.868 6.081 5.100 1.00 0.00 O ATOM 586 CB LEU A 40 2.069 5.433 1.888 1.00 0.00 C ATOM 587 CG LEU A 40 2.042 5.973 0.457 1.00 0.00 C ATOM 588 CD1 LEU A 40 0.643 5.849 -0.149 1.00 0.00 C ATOM 589 CD2 LEU A 40 2.564 7.411 0.403 1.00 0.00 C ATOM 0 H LEU A 40 4.505 4.470 1.777 1.00 0.00 H new ATOM 0 HA LEU A 40 3.222 6.945 2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.046 4.344 1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.157 5.751 2.393 1.00 0.00 H new ATOM 0 HG LEU A 40 2.712 5.364 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.651 6.240 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.345 4.801 -0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.066 6.418 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.534 7.771 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.939 8.049 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.591 7.439 0.767 1.00 0.00 H new ATOM 601 N THR A 41 3.549 4.066 4.330 1.00 0.00 N ATOM 602 CA THR A 41 3.542 3.439 5.641 1.00 0.00 C ATOM 603 C THR A 41 4.972 3.264 6.157 1.00 0.00 C ATOM 604 O THR A 41 5.305 3.736 7.243 1.00 0.00 O ATOM 605 CB THR A 41 2.771 2.122 5.530 1.00 0.00 C ATOM 606 OG1 THR A 41 3.414 1.431 4.463 1.00 0.00 O ATOM 607 CG2 THR A 41 1.337 2.323 5.034 1.00 0.00 C ATOM 0 H THR A 41 3.831 3.453 3.565 1.00 0.00 H new ATOM 0 HA THR A 41 3.039 4.067 6.377 1.00 0.00 H new ATOM 0 HB THR A 41 2.753 1.629 6.502 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.741 0.970 3.919 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.834 1.358 4.973 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.799 2.969 5.728 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.355 2.785 4.047 1.00 0.00 H new ATOM 615 N GLY A 42 5.777 2.586 5.354 1.00 0.00 N ATOM 616 CA GLY A 42 7.164 2.343 5.716 1.00 0.00 C ATOM 617 C GLY A 42 7.504 0.855 5.615 1.00 0.00 C ATOM 618 O GLY A 42 8.653 0.492 5.365 1.00 0.00 O ATOM 0 H GLY A 42 5.496 2.197 4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.820 2.915 5.060 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.345 2.693 6.732 1.00 0.00 H new ATOM 622 N VAL A 43 6.484 0.032 5.815 1.00 0.00 N ATOM 623 CA VAL A 43 6.661 -1.408 5.751 1.00 0.00 C ATOM 624 C VAL A 43 6.975 -1.815 4.309 1.00 0.00 C ATOM 625 O VAL A 43 6.358 -1.313 3.371 1.00 0.00 O ATOM 626 CB VAL A 43 5.426 -2.113 6.315 1.00 0.00 C ATOM 627 CG1 VAL A 43 5.592 -3.633 6.267 1.00 0.00 C ATOM 628 CG2 VAL A 43 5.128 -1.640 7.739 1.00 0.00 C ATOM 0 H VAL A 43 5.532 0.336 6.021 1.00 0.00 H new ATOM 0 HA VAL A 43 7.505 -1.717 6.368 1.00 0.00 H new ATOM 0 HB VAL A 43 4.574 -1.849 5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.700 -4.109 6.674 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.734 -3.951 5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.460 -3.923 6.859 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.246 -2.156 8.117 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.980 -1.861 8.382 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.946 -0.565 7.735 1.00 0.00 H new ATOM 638 N GLN A 44 7.933 -2.721 4.179 1.00 0.00 N ATOM 639 CA GLN A 44 8.336 -3.201 2.868 1.00 0.00 C ATOM 640 C GLN A 44 7.122 -3.729 2.100 1.00 0.00 C ATOM 641 O GLN A 44 6.094 -4.043 2.698 1.00 0.00 O ATOM 642 CB GLN A 44 9.419 -4.274 2.986 1.00 0.00 C ATOM 643 CG GLN A 44 10.792 -3.643 3.225 1.00 0.00 C ATOM 644 CD GLN A 44 10.813 -2.856 4.537 1.00 0.00 C ATOM 645 OE1 GLN A 44 10.233 -1.790 4.661 1.00 0.00 O ATOM 646 NE2 GLN A 44 11.511 -3.439 5.507 1.00 0.00 N ATOM 0 H GLN A 44 8.442 -3.135 4.960 1.00 0.00 H new ATOM 0 HA GLN A 44 8.759 -2.365 2.311 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.178 -4.950 3.806 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.443 -4.873 2.076 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.554 -4.422 3.252 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.041 -2.981 2.396 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.973 -4.332 5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.585 -2.993 6.421 1.00 0.00 H new ATOM 655 N PRO A 45 7.286 -3.814 0.753 1.00 0.00 N ATOM 656 CA PRO A 45 6.217 -4.299 -0.103 1.00 0.00 C ATOM 657 C PRO A 45 6.071 -5.818 0.009 1.00 0.00 C ATOM 658 O PRO A 45 5.216 -6.413 -0.644 1.00 0.00 O ATOM 659 CB PRO A 45 6.593 -3.840 -1.502 1.00 0.00 C ATOM 660 CG PRO A 45 8.079 -3.523 -1.451 1.00 0.00 C ATOM 661 CD PRO A 45 8.490 -3.451 0.011 1.00 0.00 C ATOM 0 HA PRO A 45 5.241 -3.907 0.181 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.384 -4.617 -2.237 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.016 -2.962 -1.793 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.651 -4.291 -1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.285 -2.577 -1.953 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.310 -4.137 0.226 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.833 -2.451 0.277 1.00 0.00 H new ATOM 669 N ALA A 46 6.920 -6.402 0.843 1.00 0.00 N ATOM 670 CA ALA A 46 6.896 -7.840 1.049 1.00 0.00 C ATOM 671 C ALA A 46 6.154 -8.152 2.350 1.00 0.00 C ATOM 672 O ALA A 46 5.279 -9.016 2.378 1.00 0.00 O ATOM 673 CB ALA A 46 8.328 -8.379 1.051 1.00 0.00 C ATOM 0 H ALA A 46 7.628 -5.905 1.383 1.00 0.00 H new ATOM 0 HA ALA A 46 6.362 -8.335 0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.310 -9.458 1.206 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.802 -8.157 0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.893 -7.907 1.854 1.00 0.00 H new ATOM 679 N ARG A 47 6.532 -7.432 3.397 1.00 0.00 N ATOM 680 CA ARG A 47 5.913 -7.622 4.698 1.00 0.00 C ATOM 681 C ARG A 47 4.534 -6.960 4.731 1.00 0.00 C ATOM 682 O ARG A 47 3.674 -7.349 5.519 1.00 0.00 O ATOM 683 CB ARG A 47 6.781 -7.032 5.811 1.00 0.00 C ATOM 684 CG ARG A 47 8.267 -7.239 5.515 1.00 0.00 C ATOM 685 CD ARG A 47 9.011 -7.727 6.760 1.00 0.00 C ATOM 686 NE ARG A 47 10.442 -7.935 6.445 1.00 0.00 N ATOM 687 CZ ARG A 47 11.257 -8.736 7.146 1.00 0.00 C ATOM 688 NH1 ARG A 47 10.787 -9.409 8.205 1.00 0.00 N ATOM 689 NH2 ARG A 47 12.542 -8.864 6.788 1.00 0.00 N ATOM 0 H ARG A 47 7.259 -6.717 3.371 1.00 0.00 H new ATOM 0 HA ARG A 47 5.809 -8.694 4.863 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.572 -5.967 5.914 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.527 -7.500 6.762 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.384 -7.964 4.710 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.706 -6.304 5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.909 -6.998 7.564 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.569 -8.658 7.116 1.00 0.00 H new ATOM 0 HE ARG A 47 10.833 -7.438 5.645 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.809 -9.312 8.478 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.407 -10.018 8.738 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.900 -8.352 5.982 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.162 -9.474 7.322 1.00 0.00 H new ATOM 703 N GLN A 48 4.366 -5.972 3.865 1.00 0.00 N ATOM 704 CA GLN A 48 3.106 -5.253 3.785 1.00 0.00 C ATOM 705 C GLN A 48 1.995 -6.181 3.290 1.00 0.00 C ATOM 706 O GLN A 48 1.790 -6.323 2.085 1.00 0.00 O ATOM 707 CB GLN A 48 3.233 -4.022 2.885 1.00 0.00 C ATOM 708 CG GLN A 48 3.731 -2.812 3.679 1.00 0.00 C ATOM 709 CD GLN A 48 3.768 -1.559 2.802 1.00 0.00 C ATOM 710 OE1 GLN A 48 3.157 -0.545 3.097 1.00 0.00 O ATOM 711 NE2 GLN A 48 4.517 -1.685 1.709 1.00 0.00 N ATOM 0 H GLN A 48 5.082 -5.652 3.212 1.00 0.00 H new ATOM 0 HA GLN A 48 2.845 -4.906 4.785 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.922 -4.234 2.068 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.266 -3.794 2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.079 -2.641 4.536 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.727 -3.015 4.072 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.002 -2.562 1.522 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.606 -0.904 1.059 1.00 0.00 H new ATOM 720 N LYS A 49 1.307 -6.790 4.245 1.00 0.00 N ATOM 721 CA LYS A 49 0.222 -7.701 3.921 1.00 0.00 C ATOM 722 C LYS A 49 -0.945 -6.907 3.330 1.00 0.00 C ATOM 723 O LYS A 49 -1.798 -6.412 4.065 1.00 0.00 O ATOM 724 CB LYS A 49 -0.159 -8.537 5.144 1.00 0.00 C ATOM 725 CG LYS A 49 -0.919 -9.799 4.731 1.00 0.00 C ATOM 726 CD LYS A 49 -1.781 -10.321 5.881 1.00 0.00 C ATOM 727 CE LYS A 49 -2.882 -11.250 5.364 1.00 0.00 C ATOM 728 NZ LYS A 49 -3.792 -11.639 6.465 1.00 0.00 N ATOM 0 H LYS A 49 1.480 -6.670 5.243 1.00 0.00 H new ATOM 0 HA LYS A 49 0.538 -8.416 3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.740 -8.814 5.694 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.775 -7.942 5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.549 -9.582 3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.212 -10.569 4.423 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.155 -10.856 6.596 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.229 -9.482 6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.447 -10.751 4.577 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.436 -12.141 4.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.533 -12.269 6.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.252 -12.134 7.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.231 -10.788 6.869 1.00 0.00 H new ATOM 742 N VAL A 50 -0.946 -6.811 2.009 1.00 0.00 N ATOM 743 CA VAL A 50 -1.995 -6.087 1.312 1.00 0.00 C ATOM 744 C VAL A 50 -3.190 -7.016 1.091 1.00 0.00 C ATOM 745 O VAL A 50 -3.178 -7.843 0.180 1.00 0.00 O ATOM 746 CB VAL A 50 -1.447 -5.497 0.011 1.00 0.00 C ATOM 747 CG1 VAL A 50 -2.554 -4.801 -0.785 1.00 0.00 C ATOM 748 CG2 VAL A 50 -0.287 -4.539 0.288 1.00 0.00 C ATOM 0 H VAL A 50 -0.237 -7.223 1.403 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.344 -5.247 1.913 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.065 -6.319 -0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.138 -4.391 -1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.334 -5.522 -1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.979 -3.994 -0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.083 -4.134 -0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.633 -3.723 0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.516 -5.076 0.793 1.00 0.00 H new ATOM 758 N MET A 51 -4.194 -6.848 1.939 1.00 0.00 N ATOM 759 CA MET A 51 -5.395 -7.661 1.847 1.00 0.00 C ATOM 760 C MET A 51 -6.305 -7.170 0.720 1.00 0.00 C ATOM 761 O MET A 51 -6.075 -6.104 0.151 1.00 0.00 O ATOM 762 CB MET A 51 -6.152 -7.605 3.176 1.00 0.00 C ATOM 763 CG MET A 51 -5.725 -8.748 4.099 1.00 0.00 C ATOM 764 SD MET A 51 -7.107 -9.835 4.404 1.00 0.00 S ATOM 765 CE MET A 51 -7.282 -10.575 2.789 1.00 0.00 C ATOM 0 H MET A 51 -4.201 -6.161 2.693 1.00 0.00 H new ATOM 0 HA MET A 51 -5.100 -8.688 1.629 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.965 -6.649 3.665 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.224 -7.664 2.990 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.906 -9.306 3.645 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.353 -8.346 5.041 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.471 -11.643 2.897 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.117 -10.110 2.264 1.00 0.00 H new ATOM 0 HE3 MET A 51 -6.366 -10.424 2.218 1.00 0.00 H new ATOM 775 N VAL A 52 -7.320 -7.971 0.430 1.00 0.00 N ATOM 776 CA VAL A 52 -8.266 -7.631 -0.619 1.00 0.00 C ATOM 777 C VAL A 52 -9.686 -7.940 -0.140 1.00 0.00 C ATOM 778 O VAL A 52 -9.878 -8.767 0.751 1.00 0.00 O ATOM 779 CB VAL A 52 -7.899 -8.362 -1.912 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.761 -7.879 -3.079 1.00 0.00 C ATOM 781 CG2 VAL A 52 -6.410 -8.204 -2.227 1.00 0.00 C ATOM 0 H VAL A 52 -7.508 -8.855 0.903 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.223 -6.565 -0.841 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.100 -9.423 -1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.479 -8.415 -3.986 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.812 -8.067 -2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.607 -6.810 -3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.175 -8.733 -3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.173 -7.147 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.819 -8.620 -1.411 1.00 0.00 H new ATOM 791 N LYS A 53 -10.644 -7.260 -0.752 1.00 0.00 N ATOM 792 CA LYS A 53 -12.040 -7.452 -0.399 1.00 0.00 C ATOM 793 C LYS A 53 -12.244 -8.885 0.097 1.00 0.00 C ATOM 794 O LYS A 53 -12.843 -9.102 1.150 1.00 0.00 O ATOM 795 CB LYS A 53 -12.946 -7.073 -1.572 1.00 0.00 C ATOM 796 CG LYS A 53 -12.985 -5.556 -1.767 1.00 0.00 C ATOM 797 CD LYS A 53 -14.221 -4.949 -1.100 1.00 0.00 C ATOM 798 CE LYS A 53 -14.016 -3.459 -0.817 1.00 0.00 C ATOM 799 NZ LYS A 53 -13.376 -3.266 0.504 1.00 0.00 N ATOM 0 H LYS A 53 -10.481 -6.575 -1.490 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.321 -6.788 0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.586 -7.551 -2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.954 -7.446 -1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.084 -5.109 -1.347 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.990 -5.323 -2.832 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.090 -5.084 -1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.431 -5.474 -0.168 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.396 -3.017 -1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.976 -2.943 -0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.244 -2.250 0.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.982 -3.670 1.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.451 -3.742 0.515 1.00 0.00 H new ATOM 813 N GLY A 54 -11.734 -9.826 -0.684 1.00 0.00 N ATOM 814 CA GLY A 54 -11.853 -11.232 -0.336 1.00 0.00 C ATOM 815 C GLY A 54 -10.686 -12.039 -0.911 1.00 0.00 C ATOM 816 O GLY A 54 -10.893 -13.083 -1.527 1.00 0.00 O ATOM 0 H GLY A 54 -11.238 -9.643 -1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.876 -11.341 0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.795 -11.626 -0.717 1.00 0.00 H new ATOM 820 N GLY A 55 -9.486 -11.524 -0.688 1.00 0.00 N ATOM 821 CA GLY A 55 -8.287 -12.184 -1.176 1.00 0.00 C ATOM 822 C GLY A 55 -7.038 -11.360 -0.854 1.00 0.00 C ATOM 823 O GLY A 55 -7.101 -10.410 -0.074 1.00 0.00 O ATOM 0 H GLY A 55 -9.318 -10.658 -0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.202 -13.172 -0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.362 -12.332 -2.253 1.00 0.00 H new ATOM 827 N THR A 56 -5.933 -11.753 -1.470 1.00 0.00 N ATOM 828 CA THR A 56 -4.672 -11.063 -1.258 1.00 0.00 C ATOM 829 C THR A 56 -4.073 -10.626 -2.596 1.00 0.00 C ATOM 830 O THR A 56 -4.192 -11.334 -3.595 1.00 0.00 O ATOM 831 CB THR A 56 -3.756 -11.989 -0.455 1.00 0.00 C ATOM 832 OG1 THR A 56 -4.457 -12.196 0.768 1.00 0.00 O ATOM 833 CG2 THR A 56 -2.457 -11.301 -0.029 1.00 0.00 C ATOM 0 H THR A 56 -5.885 -12.541 -2.116 1.00 0.00 H new ATOM 0 HA THR A 56 -4.813 -10.146 -0.686 1.00 0.00 H new ATOM 0 HB THR A 56 -3.521 -12.872 -1.049 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.934 -12.788 1.349 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.843 -12.001 0.538 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.911 -10.974 -0.914 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.690 -10.437 0.593 1.00 0.00 H new ATOM 841 N LEU A 57 -3.442 -9.461 -2.573 1.00 0.00 N ATOM 842 CA LEU A 57 -2.823 -8.921 -3.771 1.00 0.00 C ATOM 843 C LEU A 57 -1.587 -9.751 -4.121 1.00 0.00 C ATOM 844 O LEU A 57 -0.770 -10.052 -3.251 1.00 0.00 O ATOM 845 CB LEU A 57 -2.533 -7.429 -3.599 1.00 0.00 C ATOM 846 CG LEU A 57 -3.350 -6.480 -4.479 1.00 0.00 C ATOM 847 CD1 LEU A 57 -2.950 -5.024 -4.234 1.00 0.00 C ATOM 848 CD2 LEU A 57 -3.234 -6.866 -5.955 1.00 0.00 C ATOM 0 H LEU A 57 -3.346 -8.876 -1.743 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.506 -8.994 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.705 -7.164 -2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.475 -7.259 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.400 -6.576 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.546 -4.371 -4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.126 -4.769 -3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.893 -4.893 -4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.824 -6.176 -6.559 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.190 -6.816 -6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.606 -7.881 -6.096 1.00 0.00 H new ATOM 860 N LYS A 58 -1.487 -10.098 -5.396 1.00 0.00 N ATOM 861 CA LYS A 58 -0.364 -10.888 -5.871 1.00 0.00 C ATOM 862 C LYS A 58 0.892 -10.015 -5.899 1.00 0.00 C ATOM 863 O LYS A 58 0.858 -8.858 -5.482 1.00 0.00 O ATOM 864 CB LYS A 58 -0.694 -11.534 -7.218 1.00 0.00 C ATOM 865 CG LYS A 58 -1.520 -12.808 -7.027 1.00 0.00 C ATOM 866 CD LYS A 58 -1.580 -13.620 -8.322 1.00 0.00 C ATOM 867 CE LYS A 58 -2.988 -14.170 -8.559 1.00 0.00 C ATOM 868 NZ LYS A 58 -3.395 -13.965 -9.967 1.00 0.00 N ATOM 0 H LYS A 58 -2.166 -9.846 -6.115 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.164 -11.714 -5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.246 -10.828 -7.839 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.229 -11.770 -7.748 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.083 -13.414 -6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.530 -12.547 -6.710 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.284 -12.993 -9.163 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.867 -14.443 -8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.015 -15.233 -8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.695 -13.674 -7.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.283 -14.475 -10.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.537 -12.950 -10.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.652 -14.326 -10.599 1.00 0.00 H new ATOM 882 N ASP A 59 1.972 -10.602 -6.395 1.00 0.00 N ATOM 883 CA ASP A 59 3.236 -9.892 -6.483 1.00 0.00 C ATOM 884 C ASP A 59 3.738 -9.930 -7.928 1.00 0.00 C ATOM 885 O ASP A 59 4.181 -8.914 -8.462 1.00 0.00 O ATOM 886 CB ASP A 59 4.298 -10.546 -5.597 1.00 0.00 C ATOM 887 CG ASP A 59 5.517 -9.671 -5.296 1.00 0.00 C ATOM 888 OD1 ASP A 59 5.352 -8.721 -4.500 1.00 0.00 O ATOM 889 OD2 ASP A 59 6.587 -9.973 -5.868 1.00 0.00 O ATOM 0 H ASP A 59 1.997 -11.562 -6.740 1.00 0.00 H new ATOM 0 HA ASP A 59 3.070 -8.867 -6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.835 -10.835 -4.653 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.638 -11.463 -6.079 1.00 0.00 H new ATOM 894 N ASP A 60 3.651 -11.112 -8.520 1.00 0.00 N ATOM 895 CA ASP A 60 4.091 -11.296 -9.892 1.00 0.00 C ATOM 896 C ASP A 60 3.249 -10.412 -10.815 1.00 0.00 C ATOM 897 O ASP A 60 3.790 -9.623 -11.588 1.00 0.00 O ATOM 898 CB ASP A 60 3.914 -12.749 -10.338 1.00 0.00 C ATOM 899 CG ASP A 60 4.721 -13.149 -11.574 1.00 0.00 C ATOM 900 OD1 ASP A 60 5.938 -13.383 -11.406 1.00 0.00 O ATOM 901 OD2 ASP A 60 4.104 -13.212 -12.659 1.00 0.00 O ATOM 0 H ASP A 60 3.282 -11.952 -8.074 1.00 0.00 H new ATOM 0 HA ASP A 60 5.146 -11.029 -9.946 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.194 -13.403 -9.512 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.857 -12.925 -10.540 1.00 0.00 H new ATOM 906 N ASP A 61 1.939 -10.576 -10.705 1.00 0.00 N ATOM 907 CA ASP A 61 1.017 -9.803 -11.520 1.00 0.00 C ATOM 908 C ASP A 61 -0.384 -9.882 -10.912 1.00 0.00 C ATOM 909 O ASP A 61 -0.701 -10.830 -10.195 1.00 0.00 O ATOM 910 CB ASP A 61 0.946 -10.356 -12.945 1.00 0.00 C ATOM 911 CG ASP A 61 2.276 -10.371 -13.700 1.00 0.00 C ATOM 912 OD1 ASP A 61 2.836 -9.269 -13.886 1.00 0.00 O ATOM 913 OD2 ASP A 61 2.703 -11.485 -14.075 1.00 0.00 O ATOM 0 H ASP A 61 1.494 -11.233 -10.064 1.00 0.00 H new ATOM 0 HA ASP A 61 1.374 -8.774 -11.550 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.557 -11.373 -12.905 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.230 -9.763 -13.513 1.00 0.00 H new ATOM 918 N TRP A 62 -1.186 -8.873 -11.220 1.00 0.00 N ATOM 919 CA TRP A 62 -2.547 -8.817 -10.712 1.00 0.00 C ATOM 920 C TRP A 62 -3.298 -10.042 -11.236 1.00 0.00 C ATOM 921 O TRP A 62 -3.812 -10.841 -10.454 1.00 0.00 O ATOM 922 CB TRP A 62 -3.219 -7.496 -11.091 1.00 0.00 C ATOM 923 CG TRP A 62 -2.534 -6.259 -10.507 1.00 0.00 C ATOM 924 CD1 TRP A 62 -1.406 -5.667 -10.922 1.00 0.00 C ATOM 925 CD2 TRP A 62 -2.983 -5.481 -9.377 1.00 0.00 C ATOM 926 NE1 TRP A 62 -1.095 -4.569 -10.146 1.00 0.00 N ATOM 927 CE2 TRP A 62 -2.085 -4.452 -9.177 1.00 0.00 C ATOM 928 CE3 TRP A 62 -4.110 -5.641 -8.552 1.00 0.00 C ATOM 929 CZ2 TRP A 62 -2.221 -3.504 -8.156 1.00 0.00 C ATOM 930 CZ3 TRP A 62 -4.232 -4.685 -7.537 1.00 0.00 C ATOM 931 CH2 TRP A 62 -3.337 -3.643 -7.321 1.00 0.00 C ATOM 0 H TRP A 62 -0.920 -8.088 -11.815 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.554 -8.845 -9.622 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -3.239 -7.409 -12.177 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -4.255 -7.518 -10.754 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.814 -6.007 -11.759 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.288 -3.956 -10.262 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.825 -6.438 -8.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.504 -2.708 -8.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.082 -4.762 -6.875 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.501 -2.945 -6.514 1.00 0.00 H new ATOM 942 N GLY A 63 -3.338 -10.153 -12.555 1.00 0.00 N ATOM 943 CA GLY A 63 -4.018 -11.267 -13.193 1.00 0.00 C ATOM 944 C GLY A 63 -5.509 -10.970 -13.372 1.00 0.00 C ATOM 945 O GLY A 63 -6.354 -11.802 -13.046 1.00 0.00 O ATOM 0 H GLY A 63 -2.910 -9.489 -13.200 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.564 -11.467 -14.164 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.893 -12.167 -12.591 1.00 0.00 H new ATOM 949 N ASN A 64 -5.785 -9.782 -13.889 1.00 0.00 N ATOM 950 CA ASN A 64 -7.158 -9.365 -14.115 1.00 0.00 C ATOM 951 C ASN A 64 -7.929 -9.427 -12.794 1.00 0.00 C ATOM 952 O ASN A 64 -8.712 -10.349 -12.571 1.00 0.00 O ATOM 953 CB ASN A 64 -7.857 -10.290 -15.113 1.00 0.00 C ATOM 954 CG ASN A 64 -7.801 -9.711 -16.529 1.00 0.00 C ATOM 955 OD1 ASN A 64 -7.563 -8.532 -16.736 1.00 0.00 O ATOM 956 ND2 ASN A 64 -8.033 -10.603 -17.487 1.00 0.00 N ATOM 0 H ASN A 64 -5.081 -9.095 -14.158 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.141 -8.351 -14.513 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.383 -11.271 -15.098 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.896 -10.433 -14.816 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.018 -10.316 -18.466 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.226 -11.575 -17.243 1.00 0.00 H new ATOM 963 N ILE A 65 -7.681 -8.433 -11.954 1.00 0.00 N ATOM 964 CA ILE A 65 -8.341 -8.362 -10.662 1.00 0.00 C ATOM 965 C ILE A 65 -9.482 -7.345 -10.732 1.00 0.00 C ATOM 966 O ILE A 65 -9.357 -6.311 -11.386 1.00 0.00 O ATOM 967 CB ILE A 65 -7.325 -8.071 -9.556 1.00 0.00 C ATOM 968 CG1 ILE A 65 -6.265 -9.171 -9.482 1.00 0.00 C ATOM 969 CG2 ILE A 65 -8.024 -7.857 -8.212 1.00 0.00 C ATOM 970 CD1 ILE A 65 -5.376 -8.994 -8.249 1.00 0.00 C ATOM 0 H ILE A 65 -7.032 -7.670 -12.143 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.786 -9.324 -10.409 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.809 -7.143 -9.802 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.750 -10.147 -9.448 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.652 -9.151 -10.383 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.279 -7.652 -7.443 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.709 -7.012 -8.288 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.583 -8.754 -7.946 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.631 -9.789 -8.220 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.874 -8.028 -8.298 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.989 -9.039 -7.349 1.00 0.00 H new ATOM 982 N LYS A 66 -10.569 -7.675 -10.050 1.00 0.00 N ATOM 983 CA LYS A 66 -11.731 -6.803 -10.027 1.00 0.00 C ATOM 984 C LYS A 66 -11.459 -5.622 -9.092 1.00 0.00 C ATOM 985 O LYS A 66 -11.897 -5.622 -7.943 1.00 0.00 O ATOM 986 CB LYS A 66 -12.989 -7.596 -9.666 1.00 0.00 C ATOM 987 CG LYS A 66 -13.680 -8.130 -10.922 1.00 0.00 C ATOM 988 CD LYS A 66 -12.873 -9.269 -11.550 1.00 0.00 C ATOM 989 CE LYS A 66 -13.656 -9.936 -12.682 1.00 0.00 C ATOM 990 NZ LYS A 66 -12.971 -11.170 -13.128 1.00 0.00 N ATOM 0 H LYS A 66 -10.669 -8.534 -9.509 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.916 -6.389 -11.018 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.724 -8.426 -9.011 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.678 -6.959 -9.111 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.679 -8.484 -10.669 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.801 -7.324 -11.645 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.929 -8.882 -11.935 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.627 -10.009 -10.788 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.664 -10.175 -12.344 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.756 -9.245 -13.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.515 -11.611 -13.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.018 -10.934 -13.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.898 -11.834 -12.331 1.00 0.00 H new ATOM 1004 N MET A 67 -10.739 -4.644 -9.621 1.00 0.00 N ATOM 1005 CA MET A 67 -10.403 -3.460 -8.849 1.00 0.00 C ATOM 1006 C MET A 67 -11.483 -2.386 -8.996 1.00 0.00 C ATOM 1007 O MET A 67 -12.119 -2.279 -10.043 1.00 0.00 O ATOM 1008 CB MET A 67 -9.060 -2.903 -9.325 1.00 0.00 C ATOM 1009 CG MET A 67 -7.926 -3.891 -9.044 1.00 0.00 C ATOM 1010 SD MET A 67 -6.508 -3.025 -8.394 1.00 0.00 S ATOM 1011 CE MET A 67 -6.900 -3.051 -6.652 1.00 0.00 C ATOM 0 H MET A 67 -10.379 -4.647 -10.575 1.00 0.00 H new ATOM 0 HA MET A 67 -10.337 -3.741 -7.798 1.00 0.00 H new ATOM 0 HB2 MET A 67 -9.108 -2.693 -10.393 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.856 -1.957 -8.823 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.259 -4.646 -8.332 1.00 0.00 H new ATOM 0 HG3 MET A 67 -7.654 -4.415 -9.960 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.071 -2.627 -6.086 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.800 -2.463 -6.473 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.069 -4.079 -6.332 1.00 0.00 H new ATOM 1021 N LYS A 68 -11.656 -1.616 -7.931 1.00 0.00 N ATOM 1022 CA LYS A 68 -12.647 -0.554 -7.929 1.00 0.00 C ATOM 1023 C LYS A 68 -12.029 0.713 -7.335 1.00 0.00 C ATOM 1024 O LYS A 68 -11.145 0.637 -6.482 1.00 0.00 O ATOM 1025 CB LYS A 68 -13.920 -1.011 -7.213 1.00 0.00 C ATOM 1026 CG LYS A 68 -14.540 -2.220 -7.915 1.00 0.00 C ATOM 1027 CD LYS A 68 -14.892 -3.317 -6.908 1.00 0.00 C ATOM 1028 CE LYS A 68 -15.995 -2.853 -5.954 1.00 0.00 C ATOM 1029 NZ LYS A 68 -17.220 -3.661 -6.145 1.00 0.00 N ATOM 0 H LYS A 68 -11.126 -1.707 -7.064 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.950 -0.314 -8.948 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.688 -1.266 -6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.640 -0.193 -7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.437 -1.913 -8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.843 -2.612 -8.656 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.218 -4.212 -7.439 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.004 -3.590 -6.338 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.652 -2.940 -4.923 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.216 -1.800 -6.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.958 -3.333 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.555 -3.557 -7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.009 -4.662 -5.955 1.00 0.00 H new ATOM 1043 N ASN A 69 -12.517 1.850 -7.809 1.00 0.00 N ATOM 1044 CA ASN A 69 -12.023 3.132 -7.336 1.00 0.00 C ATOM 1045 C ASN A 69 -12.906 3.620 -6.186 1.00 0.00 C ATOM 1046 O ASN A 69 -14.020 4.091 -6.409 1.00 0.00 O ATOM 1047 CB ASN A 69 -12.070 4.184 -8.447 1.00 0.00 C ATOM 1048 CG ASN A 69 -11.927 3.533 -9.824 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -10.842 3.389 -10.362 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -13.081 3.150 -10.363 1.00 0.00 N ATOM 0 H ASN A 69 -13.250 1.910 -8.516 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.992 2.997 -7.010 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -13.011 4.731 -8.395 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.271 4.910 -8.299 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.093 2.706 -11.281 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -13.954 3.300 -9.858 1.00 0.00 H new ATOM 1057 N GLY A 70 -12.374 3.491 -4.979 1.00 0.00 N ATOM 1058 CA GLY A 70 -13.099 3.913 -3.793 1.00 0.00 C ATOM 1059 C GLY A 70 -12.968 2.879 -2.672 1.00 0.00 C ATOM 1060 O GLY A 70 -13.093 3.215 -1.496 1.00 0.00 O ATOM 0 H GLY A 70 -11.450 3.100 -4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.716 4.875 -3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.151 4.057 -4.038 1.00 0.00 H new ATOM 1064 N MET A 71 -12.717 1.643 -3.078 1.00 0.00 N ATOM 1065 CA MET A 71 -12.567 0.558 -2.123 1.00 0.00 C ATOM 1066 C MET A 71 -11.553 0.921 -1.036 1.00 0.00 C ATOM 1067 O MET A 71 -11.059 2.047 -0.993 1.00 0.00 O ATOM 1068 CB MET A 71 -12.103 -0.704 -2.853 1.00 0.00 C ATOM 1069 CG MET A 71 -10.701 -0.516 -3.437 1.00 0.00 C ATOM 1070 SD MET A 71 -9.621 -1.816 -2.862 1.00 0.00 S ATOM 1071 CE MET A 71 -10.477 -3.240 -3.515 1.00 0.00 C ATOM 0 H MET A 71 -12.614 1.369 -4.055 1.00 0.00 H new ATOM 0 HA MET A 71 -13.532 0.380 -1.649 1.00 0.00 H new ATOM 0 HB2 MET A 71 -12.103 -1.548 -2.163 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.804 -0.945 -3.652 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.747 -0.525 -4.526 1.00 0.00 H new ATOM 0 HG3 MET A 71 -10.303 0.455 -3.143 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.774 -4.064 -3.634 1.00 0.00 H new ATOM 0 HE2 MET A 71 -11.269 -3.535 -2.827 1.00 0.00 H new ATOM 0 HE3 MET A 71 -10.911 -2.991 -4.483 1.00 0.00 H new ATOM 1081 N THR A 72 -11.273 -0.054 -0.184 1.00 0.00 N ATOM 1082 CA THR A 72 -10.328 0.148 0.901 1.00 0.00 C ATOM 1083 C THR A 72 -9.313 -0.996 0.944 1.00 0.00 C ATOM 1084 O THR A 72 -9.684 -2.164 0.835 1.00 0.00 O ATOM 1085 CB THR A 72 -11.123 0.305 2.198 1.00 0.00 C ATOM 1086 OG1 THR A 72 -11.335 1.710 2.308 1.00 0.00 O ATOM 1087 CG2 THR A 72 -10.296 -0.045 3.437 1.00 0.00 C ATOM 0 H THR A 72 -11.684 -0.987 -0.223 1.00 0.00 H new ATOM 0 HA THR A 72 -9.742 1.055 0.751 1.00 0.00 H new ATOM 0 HB THR A 72 -12.008 -0.330 2.160 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.846 1.901 3.122 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.907 0.083 4.330 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.962 -1.081 3.371 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.429 0.613 3.493 1.00 0.00 H new ATOM 1095 N VAL A 73 -8.052 -0.621 1.104 1.00 0.00 N ATOM 1096 CA VAL A 73 -6.982 -1.601 1.163 1.00 0.00 C ATOM 1097 C VAL A 73 -6.497 -1.734 2.608 1.00 0.00 C ATOM 1098 O VAL A 73 -6.119 -0.745 3.233 1.00 0.00 O ATOM 1099 CB VAL A 73 -5.864 -1.215 0.191 1.00 0.00 C ATOM 1100 CG1 VAL A 73 -4.601 -2.038 0.453 1.00 0.00 C ATOM 1101 CG2 VAL A 73 -6.325 -1.363 -1.260 1.00 0.00 C ATOM 0 H VAL A 73 -7.748 0.348 1.195 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.344 -2.580 0.850 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.620 -0.166 0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.823 -1.744 -0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.255 -1.860 1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.824 -3.097 0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.512 -1.083 -1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.609 -2.398 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.182 -0.714 -1.437 1.00 0.00 H new ATOM 1111 N LEU A 74 -6.525 -2.966 3.096 1.00 0.00 N ATOM 1112 CA LEU A 74 -6.094 -3.241 4.456 1.00 0.00 C ATOM 1113 C LEU A 74 -4.636 -3.707 4.440 1.00 0.00 C ATOM 1114 O LEU A 74 -4.300 -4.682 3.769 1.00 0.00 O ATOM 1115 CB LEU A 74 -7.047 -4.229 5.131 1.00 0.00 C ATOM 1116 CG LEU A 74 -6.844 -4.438 6.633 1.00 0.00 C ATOM 1117 CD1 LEU A 74 -5.412 -4.883 6.936 1.00 0.00 C ATOM 1118 CD2 LEU A 74 -7.233 -3.184 7.419 1.00 0.00 C ATOM 0 H LEU A 74 -6.839 -3.784 2.574 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.133 -2.333 5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.069 -3.887 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.950 -5.194 4.634 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.506 -5.240 6.959 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.295 -5.024 8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.206 -5.822 6.422 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.713 -4.120 6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.079 -3.360 8.484 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.615 -2.346 7.096 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.282 -2.952 7.238 1.00 0.00 H new ATOM 1130 N MET A 75 -3.810 -2.989 5.186 1.00 0.00 N ATOM 1131 CA MET A 75 -2.397 -3.316 5.265 1.00 0.00 C ATOM 1132 C MET A 75 -1.992 -3.653 6.702 1.00 0.00 C ATOM 1133 O MET A 75 -2.554 -3.110 7.652 1.00 0.00 O ATOM 1134 CB MET A 75 -1.569 -2.131 4.765 1.00 0.00 C ATOM 1135 CG MET A 75 -0.130 -2.555 4.465 1.00 0.00 C ATOM 1136 SD MET A 75 0.882 -2.356 5.921 1.00 0.00 S ATOM 1137 CE MET A 75 1.715 -0.831 5.515 1.00 0.00 C ATOM 0 H MET A 75 -4.092 -2.181 5.741 1.00 0.00 H new ATOM 0 HA MET A 75 -2.210 -4.189 4.640 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.025 -1.718 3.865 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.570 -1.340 5.515 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.109 -3.594 4.137 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.272 -1.955 3.648 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.787 -1.012 5.435 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.339 -0.453 4.564 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.529 -0.095 6.297 1.00 0.00 H new ATOM 1147 N MET A 76 -1.020 -4.546 6.815 1.00 0.00 N ATOM 1148 CA MET A 76 -0.533 -4.961 8.120 1.00 0.00 C ATOM 1149 C MET A 76 0.996 -4.982 8.153 1.00 0.00 C ATOM 1150 O MET A 76 1.638 -5.320 7.160 1.00 0.00 O ATOM 1151 CB MET A 76 -1.070 -6.356 8.445 1.00 0.00 C ATOM 1152 CG MET A 76 -2.513 -6.284 8.951 1.00 0.00 C ATOM 1153 SD MET A 76 -2.544 -6.435 10.729 1.00 0.00 S ATOM 1154 CE MET A 76 -2.324 -8.199 10.894 1.00 0.00 C ATOM 0 H MET A 76 -0.556 -4.994 6.024 1.00 0.00 H new ATOM 0 HA MET A 76 -0.884 -4.245 8.863 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.024 -6.984 7.555 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.439 -6.826 9.200 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.966 -5.339 8.650 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.106 -7.080 8.500 1.00 0.00 H new ATOM 0 HE1 MET A 76 -3.190 -8.628 11.398 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.221 -8.647 9.906 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.427 -8.401 11.479 1.00 0.00 H new ATOM 1164 N GLY A 77 1.536 -4.616 9.307 1.00 0.00 N ATOM 1165 CA GLY A 77 2.978 -4.588 9.483 1.00 0.00 C ATOM 1166 C GLY A 77 3.381 -3.567 10.549 1.00 0.00 C ATOM 1167 O GLY A 77 2.551 -3.143 11.351 1.00 0.00 O ATOM 0 H GLY A 77 1.001 -4.337 10.129 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.332 -5.578 9.770 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.459 -4.340 8.537 1.00 0.00 H new ATOM 1171 N SER A 78 4.655 -3.203 10.522 1.00 0.00 N ATOM 1172 CA SER A 78 5.177 -2.240 11.476 1.00 0.00 C ATOM 1173 C SER A 78 6.404 -1.537 10.891 1.00 0.00 C ATOM 1174 O SER A 78 6.439 -0.310 10.805 1.00 0.00 O ATOM 1175 CB SER A 78 5.535 -2.916 12.801 1.00 0.00 C ATOM 1176 OG SER A 78 5.120 -2.143 13.924 1.00 0.00 O ATOM 0 H SER A 78 5.340 -3.558 9.855 1.00 0.00 H new ATOM 0 HA SER A 78 4.402 -1.500 11.674 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.066 -3.899 12.845 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.612 -3.074 12.848 1.00 0.00 H new ATOM 0 HG SER A 78 5.365 -2.609 14.751 1.00 0.00 H new ATOM 1182 N ALA A 79 7.381 -2.344 10.504 1.00 0.00 N ATOM 1183 CA ALA A 79 8.606 -1.815 9.929 1.00 0.00 C ATOM 1184 C ALA A 79 9.567 -1.428 11.056 1.00 0.00 C ATOM 1185 O ALA A 79 10.722 -1.091 10.802 1.00 0.00 O ATOM 1186 CB ALA A 79 8.273 -0.633 9.016 1.00 0.00 C ATOM 0 H ALA A 79 7.349 -3.361 10.577 1.00 0.00 H new ATOM 0 HA ALA A 79 9.100 -2.570 9.318 1.00 0.00 H new ATOM 0 HB1 ALA A 79 9.192 -0.236 8.585 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.611 -0.966 8.216 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.778 0.146 9.596 1.00 0.00 H new ATOM 1192 N ASP A 80 9.053 -1.491 12.276 1.00 0.00 N ATOM 1193 CA ASP A 80 9.852 -1.152 13.442 1.00 0.00 C ATOM 1194 C ASP A 80 10.371 0.280 13.300 1.00 0.00 C ATOM 1195 O ASP A 80 11.195 0.562 12.432 1.00 0.00 O ATOM 1196 CB ASP A 80 11.059 -2.082 13.572 1.00 0.00 C ATOM 1197 CG ASP A 80 12.326 -1.424 14.123 1.00 0.00 C ATOM 1198 OD1 ASP A 80 12.212 -0.774 15.185 1.00 0.00 O ATOM 1199 OD2 ASP A 80 13.379 -1.585 13.470 1.00 0.00 O ATOM 0 H ASP A 80 8.094 -1.771 12.482 1.00 0.00 H new ATOM 0 HA ASP A 80 9.221 -1.255 14.325 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.789 -2.915 14.221 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.283 -2.502 12.591 1.00 0.00 H new ATOM 1204 N ALA A 81 9.867 1.147 14.166 1.00 0.00 N ATOM 1205 CA ALA A 81 10.270 2.543 14.148 1.00 0.00 C ATOM 1206 C ALA A 81 10.004 3.163 15.521 1.00 0.00 C ATOM 1207 O ALA A 81 9.147 2.689 16.265 1.00 0.00 O ATOM 1208 CB ALA A 81 9.530 3.274 13.025 1.00 0.00 C ATOM 0 H ALA A 81 9.183 0.910 14.885 1.00 0.00 H new ATOM 0 HA ALA A 81 11.338 2.632 13.947 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.832 4.321 13.012 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.775 2.813 12.068 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.455 3.209 13.195 1.00 0.00 H new ATOM 1214 N LEU A 82 10.756 4.214 15.815 1.00 0.00 N ATOM 1215 CA LEU A 82 10.612 4.904 17.086 1.00 0.00 C ATOM 1216 C LEU A 82 9.766 6.163 16.885 1.00 0.00 C ATOM 1217 O LEU A 82 9.587 6.622 15.758 1.00 0.00 O ATOM 1218 CB LEU A 82 11.984 5.178 17.705 1.00 0.00 C ATOM 1219 CG LEU A 82 12.570 4.053 18.561 1.00 0.00 C ATOM 1220 CD1 LEU A 82 13.604 3.246 17.774 1.00 0.00 C ATOM 1221 CD2 LEU A 82 13.146 4.602 19.868 1.00 0.00 C ATOM 0 H LEU A 82 11.466 4.604 15.195 1.00 0.00 H new ATOM 0 HA LEU A 82 10.084 4.275 17.803 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.686 5.399 16.901 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.911 6.075 18.320 1.00 0.00 H new ATOM 0 HG LEU A 82 11.763 3.370 18.826 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.004 2.453 18.406 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.131 2.806 16.896 1.00 0.00 H new ATOM 0 HD13 LEU A 82 14.415 3.903 17.458 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.556 3.782 20.458 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.936 5.319 19.645 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.357 5.097 20.434 1.00 0.00 H new ATOM 1233 N PRO A 83 9.256 6.701 18.025 1.00 0.00 N ATOM 1234 CA PRO A 83 8.433 7.898 17.985 1.00 0.00 C ATOM 1235 C PRO A 83 9.288 9.143 17.740 1.00 0.00 C ATOM 1236 O PRO A 83 10.453 9.188 18.134 1.00 0.00 O ATOM 1237 CB PRO A 83 7.713 7.926 19.324 1.00 0.00 C ATOM 1238 CG PRO A 83 8.504 7.007 20.241 1.00 0.00 C ATOM 1239 CD PRO A 83 9.447 6.185 19.378 1.00 0.00 C ATOM 0 HA PRO A 83 7.717 7.889 17.163 1.00 0.00 H new ATOM 0 HB2 PRO A 83 7.674 8.939 19.725 1.00 0.00 H new ATOM 0 HB3 PRO A 83 6.683 7.583 19.221 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.065 7.589 20.972 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.832 6.355 20.800 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.481 6.298 19.703 1.00 0.00 H new ATOM 0 HD3 PRO A 83 9.210 5.123 19.434 1.00 0.00 H new ATOM 1247 N GLU A 84 8.677 10.123 17.091 1.00 0.00 N ATOM 1248 CA GLU A 84 9.367 11.365 16.789 1.00 0.00 C ATOM 1249 C GLU A 84 10.472 11.121 15.758 1.00 0.00 C ATOM 1250 O GLU A 84 11.644 11.012 16.114 1.00 0.00 O ATOM 1251 CB GLU A 84 9.935 12.001 18.060 1.00 0.00 C ATOM 1252 CG GLU A 84 10.535 13.376 17.764 1.00 0.00 C ATOM 1253 CD GLU A 84 12.061 13.301 17.681 1.00 0.00 C ATOM 1254 OE1 GLU A 84 12.662 12.831 18.671 1.00 0.00 O ATOM 1255 OE2 GLU A 84 12.593 13.716 16.628 1.00 0.00 O ATOM 0 H GLU A 84 7.711 10.082 16.766 1.00 0.00 H new ATOM 0 HA GLU A 84 8.646 12.063 16.364 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.146 12.097 18.806 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.699 11.351 18.486 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.134 13.757 16.825 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.244 14.080 18.544 1.00 0.00 H new ATOM 1262 N GLU A 85 10.058 11.044 14.502 1.00 0.00 N ATOM 1263 CA GLU A 85 10.997 10.815 13.418 1.00 0.00 C ATOM 1264 C GLU A 85 10.577 11.605 12.176 1.00 0.00 C ATOM 1265 O GLU A 85 9.389 11.826 11.950 1.00 0.00 O ATOM 1266 CB GLU A 85 11.119 9.323 13.103 1.00 0.00 C ATOM 1267 CG GLU A 85 9.841 8.795 12.446 1.00 0.00 C ATOM 1268 CD GLU A 85 9.334 7.542 13.161 1.00 0.00 C ATOM 1269 OE1 GLU A 85 10.020 6.504 13.043 1.00 0.00 O ATOM 1270 OE2 GLU A 85 8.272 7.650 13.811 1.00 0.00 O ATOM 0 H GLU A 85 9.085 11.136 14.211 1.00 0.00 H new ATOM 0 HA GLU A 85 11.979 11.167 13.734 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.968 9.156 12.441 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.316 8.769 14.021 1.00 0.00 H new ATOM 0 HG2 GLU A 85 9.071 9.567 12.467 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.034 8.567 11.398 1.00 0.00 H new ATOM 1277 N PRO A 86 11.603 12.019 11.384 1.00 0.00 N ATOM 1278 CA PRO A 86 11.352 12.779 10.172 1.00 0.00 C ATOM 1279 C PRO A 86 10.812 11.877 9.060 1.00 0.00 C ATOM 1280 O PRO A 86 11.366 10.810 8.798 1.00 0.00 O ATOM 1281 CB PRO A 86 12.688 13.416 9.824 1.00 0.00 C ATOM 1282 CG PRO A 86 13.738 12.621 10.582 1.00 0.00 C ATOM 1283 CD PRO A 86 13.022 11.774 11.621 1.00 0.00 C ATOM 0 HA PRO A 86 10.584 13.541 10.305 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.870 13.379 8.750 1.00 0.00 H new ATOM 0 HB3 PRO A 86 12.708 14.466 10.115 1.00 0.00 H new ATOM 0 HG2 PRO A 86 14.305 11.988 9.899 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.451 13.291 11.062 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.266 10.718 11.507 1.00 0.00 H new ATOM 0 HD3 PRO A 86 13.310 12.061 12.632 1.00 0.00 H new ATOM 1291 N SER A 87 9.738 12.338 8.437 1.00 0.00 N ATOM 1292 CA SER A 87 9.117 11.586 7.360 1.00 0.00 C ATOM 1293 C SER A 87 9.048 12.443 6.095 1.00 0.00 C ATOM 1294 O SER A 87 9.299 11.954 4.995 1.00 0.00 O ATOM 1295 CB SER A 87 7.717 11.110 7.756 1.00 0.00 C ATOM 1296 OG SER A 87 7.585 9.695 7.651 1.00 0.00 O ATOM 0 H SER A 87 9.282 13.223 8.657 1.00 0.00 H new ATOM 0 HA SER A 87 9.728 10.705 7.162 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.505 11.419 8.780 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.976 11.592 7.118 1.00 0.00 H new ATOM 0 HG SER A 87 6.679 9.431 7.914 1.00 0.00 H new ATOM 1302 N ALA A 88 8.706 13.708 6.294 1.00 0.00 N ATOM 1303 CA ALA A 88 8.601 14.638 5.182 1.00 0.00 C ATOM 1304 C ALA A 88 7.651 14.063 4.130 1.00 0.00 C ATOM 1305 O ALA A 88 7.223 12.915 4.235 1.00 0.00 O ATOM 1306 CB ALA A 88 9.995 14.919 4.618 1.00 0.00 C ATOM 0 H ALA A 88 8.498 14.110 7.208 1.00 0.00 H new ATOM 0 HA ALA A 88 8.187 15.590 5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.916 15.616 3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.622 15.354 5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.442 13.987 4.271 1.00 0.00 H new ATOM 1312 N LYS A 89 7.348 14.888 3.139 1.00 0.00 N ATOM 1313 CA LYS A 89 6.456 14.477 2.068 1.00 0.00 C ATOM 1314 C LYS A 89 6.929 15.095 0.750 1.00 0.00 C ATOM 1315 O LYS A 89 7.842 15.919 0.739 1.00 0.00 O ATOM 1316 CB LYS A 89 5.006 14.813 2.419 1.00 0.00 C ATOM 1317 CG LYS A 89 4.073 13.653 2.065 1.00 0.00 C ATOM 1318 CD LYS A 89 2.986 13.479 3.127 1.00 0.00 C ATOM 1319 CE LYS A 89 1.690 14.172 2.705 1.00 0.00 C ATOM 1320 NZ LYS A 89 1.255 15.134 3.743 1.00 0.00 N ATOM 0 H LYS A 89 7.705 15.840 3.055 1.00 0.00 H new ATOM 0 HA LYS A 89 6.486 13.395 1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.928 15.035 3.483 1.00 0.00 H new ATOM 0 HB3 LYS A 89 4.697 15.710 1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.612 13.836 1.094 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.650 12.732 1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.798 12.418 3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 89 3.330 13.891 4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.840 14.692 1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.910 13.429 2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.374 15.596 3.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.092 14.629 4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.993 15.853 3.881 1.00 0.00 H new ATOM 1334 N THR A 90 6.285 14.673 -0.328 1.00 0.00 N ATOM 1335 CA THR A 90 6.628 15.175 -1.648 1.00 0.00 C ATOM 1336 C THR A 90 5.375 15.284 -2.519 1.00 0.00 C ATOM 1337 O THR A 90 4.371 14.626 -2.254 1.00 0.00 O ATOM 1338 CB THR A 90 7.701 14.258 -2.239 1.00 0.00 C ATOM 1339 OG1 THR A 90 8.059 14.888 -3.466 1.00 0.00 O ATOM 1340 CG2 THR A 90 7.140 12.900 -2.667 1.00 0.00 C ATOM 0 H THR A 90 5.528 13.990 -0.315 1.00 0.00 H new ATOM 0 HA THR A 90 7.037 16.184 -1.593 1.00 0.00 H new ATOM 0 HB THR A 90 8.494 14.108 -1.506 1.00 0.00 H new ATOM 0 HG1 THR A 90 8.752 14.360 -3.915 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.943 12.288 -3.079 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.707 12.396 -1.803 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.370 13.047 -3.424 1.00 0.00 H new ATOM 1348 N SER A 91 5.476 16.120 -3.542 1.00 0.00 N ATOM 1349 CA SER A 91 4.363 16.324 -4.454 1.00 0.00 C ATOM 1350 C SER A 91 3.165 16.901 -3.698 1.00 0.00 C ATOM 1351 O SER A 91 2.756 16.361 -2.671 1.00 0.00 O ATOM 1352 CB SER A 91 3.973 15.017 -5.148 1.00 0.00 C ATOM 1353 OG SER A 91 3.455 15.241 -6.456 1.00 0.00 O ATOM 0 H SER A 91 6.311 16.664 -3.760 1.00 0.00 H new ATOM 0 HA SER A 91 4.675 17.032 -5.221 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.845 14.365 -5.210 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.228 14.496 -4.547 1.00 0.00 H new ATOM 0 HG SER A 91 3.220 14.383 -6.866 1.00 0.00 H new ATOM 1359 N GLY A 92 2.636 17.991 -4.234 1.00 0.00 N ATOM 1360 CA GLY A 92 1.494 18.647 -3.622 1.00 0.00 C ATOM 1361 C GLY A 92 0.254 17.752 -3.675 1.00 0.00 C ATOM 1362 O GLY A 92 0.325 16.615 -4.137 1.00 0.00 O ATOM 0 H GLY A 92 2.978 18.436 -5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.724 18.894 -2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.291 19.586 -4.136 1.00 0.00 H new ATOM 1366 N PRO A 93 -0.882 18.314 -3.182 1.00 0.00 N ATOM 1367 CA PRO A 93 -2.136 17.579 -3.169 1.00 0.00 C ATOM 1368 C PRO A 93 -2.741 17.502 -4.572 1.00 0.00 C ATOM 1369 O PRO A 93 -3.052 16.417 -5.059 1.00 0.00 O ATOM 1370 CB PRO A 93 -3.018 18.325 -2.181 1.00 0.00 C ATOM 1371 CG PRO A 93 -2.400 19.705 -2.029 1.00 0.00 C ATOM 1372 CD PRO A 93 -1.003 19.659 -2.626 1.00 0.00 C ATOM 0 HA PRO A 93 -2.012 16.539 -2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -4.042 18.394 -2.547 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -3.056 17.807 -1.223 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.008 20.453 -2.537 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -2.357 19.990 -0.978 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.877 20.419 -3.397 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -0.242 19.844 -1.868 1.00 0.00 H new ATOM 1380 N SER A 94 -2.891 18.669 -5.182 1.00 0.00 N ATOM 1381 CA SER A 94 -3.453 18.748 -6.519 1.00 0.00 C ATOM 1382 C SER A 94 -4.911 18.283 -6.502 1.00 0.00 C ATOM 1383 O SER A 94 -5.235 17.269 -5.884 1.00 0.00 O ATOM 1384 CB SER A 94 -2.641 17.911 -7.508 1.00 0.00 C ATOM 1385 OG SER A 94 -3.103 18.069 -8.847 1.00 0.00 O ATOM 0 H SER A 94 -2.633 19.568 -4.774 1.00 0.00 H new ATOM 0 HA SER A 94 -3.413 19.787 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.591 18.199 -7.450 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.699 16.860 -7.226 1.00 0.00 H new ATOM 0 HG SER A 94 -2.558 17.520 -9.448 1.00 0.00 H new ATOM 1391 N SER A 95 -5.750 19.045 -7.187 1.00 0.00 N ATOM 1392 CA SER A 95 -7.165 18.723 -7.258 1.00 0.00 C ATOM 1393 C SER A 95 -7.592 18.559 -8.718 1.00 0.00 C ATOM 1394 O SER A 95 -7.094 19.261 -9.597 1.00 0.00 O ATOM 1395 CB SER A 95 -8.010 19.802 -6.577 1.00 0.00 C ATOM 1396 OG SER A 95 -9.406 19.580 -6.759 1.00 0.00 O ATOM 0 H SER A 95 -5.477 19.885 -7.698 1.00 0.00 H new ATOM 0 HA SER A 95 -7.329 17.783 -6.730 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.782 19.822 -5.511 1.00 0.00 H new ATOM 0 HB3 SER A 95 -7.743 20.779 -6.979 1.00 0.00 H new ATOM 0 HG SER A 95 -9.911 20.288 -6.308 1.00 0.00 H new ATOM 1402 N GLY A 96 -8.509 17.627 -8.932 1.00 0.00 N ATOM 1403 CA GLY A 96 -9.008 17.361 -10.270 1.00 0.00 C ATOM 1404 C GLY A 96 -7.883 16.883 -11.190 1.00 0.00 C ATOM 1405 O GLY A 96 -8.141 16.296 -12.240 1.00 0.00 O ATOM 0 H GLY A 96 -8.920 17.046 -8.201 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.792 16.605 -10.226 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.459 18.265 -10.680 1.00 0.00 H new TER 1409 GLY A 96