USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 768 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 36 SER OG : rot 180:sc= 0.00557 USER MOD Set 1.2: A 39 GLN : amide:sc= -0.942 K(o=-0.94,f=-0.37) USER MOD Single : A 1 SER N :NH3+ -124:sc= 0.0975 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.043 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 7 SER OG : rot 150:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.027) USER MOD Single : A 14 GLN : amide:sc= -0.374 K(o=-0.37,f=-0.88) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -2.78! C(o=-2.8!,f=-9.5!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.417 USER MOD Single : A 31 SER OG : rot 78:sc= 0.328 USER MOD Single : A 41 THR OG1 : rot -21:sc= 0.214 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.242 USER MOD Single : A 46 SER OG : rot 140:sc= -0.888 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot -112:sc= 0.871 USER MOD Single : A 56 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.87) USER MOD Single : A 64 GLN : amide:sc= -2.01 K(o=-2,f=-0.76) USER MOD Single : A 66 MET CE :methyl -157:sc= -0.737 (180deg=-3.06!) USER MOD Single : A 69 GLN : amide:sc= -2.75! C(o=-2.8!,f=-4.2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.352 K(o=-0.35,f=-1.7!) USER MOD Single : A 77 SER OG : rot 130:sc= 1.12 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0644 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.213 K(o=-0.21,f=-0.99) USER MOD Single : A 89 MET CE :methyl -110:sc= -6.61 (180deg=-11.2!) USER MOD Single : A 90 GLN : amide:sc= -1.12 K(o=-1.1,f=-3.4!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.29 X(o=-0.29,f=-0.097) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0277 USER MOD Single : A 99 SER OG : rot 23:sc= 1.15 USER MOD Single : A 105 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.0035) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -8.413 23.884 -12.321 1.00 0.00 N ATOM 2 CA SER A 1 -7.077 23.611 -11.730 1.00 0.00 C ATOM 3 C SER A 1 -6.802 24.525 -10.541 1.00 0.00 C ATOM 4 O SER A 1 -7.678 25.273 -10.104 1.00 0.00 O ATOM 5 CB SER A 1 -6.015 23.817 -12.811 1.00 0.00 C ATOM 6 OG SER A 1 -4.839 23.082 -12.517 1.00 0.00 O ATOM 0 H1 SER A 1 -8.972 23.007 -12.334 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.905 24.600 -11.750 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.297 24.235 -13.293 1.00 0.00 H new ATOM 0 HA SER A 1 -7.050 22.584 -11.367 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.410 23.505 -13.778 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.775 24.877 -12.892 1.00 0.00 H new ATOM 0 HG SER A 1 -4.176 23.229 -13.224 1.00 0.00 H new ATOM 14 N GLY A 2 -5.581 24.459 -10.019 1.00 0.00 N ATOM 15 CA GLY A 2 -5.213 25.284 -8.884 1.00 0.00 C ATOM 16 C GLY A 2 -5.281 24.527 -7.572 1.00 0.00 C ATOM 17 O GLY A 2 -4.609 24.886 -6.605 1.00 0.00 O ATOM 0 H GLY A 2 -4.840 23.848 -10.363 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.202 25.665 -9.028 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -5.876 26.148 -8.836 1.00 0.00 H new ATOM 21 N PHE A 3 -6.093 23.476 -7.540 1.00 0.00 N ATOM 22 CA PHE A 3 -6.245 22.665 -6.338 1.00 0.00 C ATOM 23 C PHE A 3 -6.101 21.181 -6.663 1.00 0.00 C ATOM 24 O PHE A 3 -7.024 20.557 -7.186 1.00 0.00 O ATOM 25 CB PHE A 3 -7.606 22.927 -5.691 1.00 0.00 C ATOM 26 CG PHE A 3 -8.749 22.906 -6.664 1.00 0.00 C ATOM 27 CD1 PHE A 3 -9.109 24.052 -7.356 1.00 0.00 C ATOM 28 CD2 PHE A 3 -9.465 21.741 -6.888 1.00 0.00 C ATOM 29 CE1 PHE A 3 -10.160 24.036 -8.252 1.00 0.00 C ATOM 30 CE2 PHE A 3 -10.518 21.719 -7.783 1.00 0.00 C ATOM 31 CZ PHE A 3 -10.866 22.868 -8.466 1.00 0.00 C ATOM 0 H PHE A 3 -6.656 23.166 -8.332 1.00 0.00 H new ATOM 0 HA PHE A 3 -5.458 22.944 -5.638 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.783 22.177 -4.920 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -7.582 23.896 -5.193 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -8.561 24.968 -7.193 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -9.197 20.840 -6.357 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.430 24.936 -8.785 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -11.068 20.804 -7.948 1.00 0.00 H new ATOM 0 HZ PHE A 3 -11.688 22.853 -9.166 1.00 0.00 H new ATOM 41 N LYS A 4 -4.935 20.624 -6.353 1.00 0.00 N ATOM 42 CA LYS A 4 -4.667 19.216 -6.615 1.00 0.00 C ATOM 43 C LYS A 4 -5.125 18.344 -5.450 1.00 0.00 C ATOM 44 O LYS A 4 -5.233 18.811 -4.316 1.00 0.00 O ATOM 45 CB LYS A 4 -3.174 19.002 -6.871 1.00 0.00 C ATOM 46 CG LYS A 4 -2.754 19.293 -8.303 1.00 0.00 C ATOM 47 CD LYS A 4 -2.417 18.017 -9.056 1.00 0.00 C ATOM 48 CE LYS A 4 -3.547 17.004 -8.970 1.00 0.00 C ATOM 49 NZ LYS A 4 -3.265 15.787 -9.780 1.00 0.00 N ATOM 0 H LYS A 4 -4.161 21.127 -5.920 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.229 18.925 -7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.603 19.641 -6.197 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.916 17.971 -6.628 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.557 19.819 -8.819 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.888 19.955 -8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.217 18.252 -10.101 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.505 17.582 -8.647 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.701 16.720 -7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.473 17.463 -9.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.059 15.121 -9.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.143 16.054 -10.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.395 15.334 -9.434 1.00 0.00 H new ATOM 63 N HIS A 5 -5.390 17.074 -5.738 1.00 0.00 N ATOM 64 CA HIS A 5 -5.828 16.133 -4.714 1.00 0.00 C ATOM 65 C HIS A 5 -4.735 15.113 -4.415 1.00 0.00 C ATOM 66 O HIS A 5 -4.953 13.906 -4.512 1.00 0.00 O ATOM 67 CB HIS A 5 -7.104 15.417 -5.162 1.00 0.00 C ATOM 68 CG HIS A 5 -8.354 16.192 -4.885 1.00 0.00 C ATOM 69 ND1 HIS A 5 -9.217 16.609 -5.877 1.00 0.00 N ATOM 70 CD2 HIS A 5 -8.886 16.629 -3.719 1.00 0.00 C ATOM 71 CE1 HIS A 5 -10.225 17.268 -5.333 1.00 0.00 C ATOM 72 NE2 HIS A 5 -10.047 17.294 -4.026 1.00 0.00 N ATOM 0 H HIS A 5 -5.309 16.673 -6.672 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.037 16.694 -3.803 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -7.041 15.215 -6.231 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -7.165 14.452 -4.658 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -8.474 16.482 -2.732 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -11.053 17.710 -5.867 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -10.672 17.737 -3.352 1.00 0.00 H new ATOM 81 N VAL A 6 -3.556 15.610 -4.056 1.00 0.00 N ATOM 82 CA VAL A 6 -2.423 14.747 -3.748 1.00 0.00 C ATOM 83 C VAL A 6 -2.727 13.839 -2.561 1.00 0.00 C ATOM 84 O VAL A 6 -2.997 14.313 -1.457 1.00 0.00 O ATOM 85 CB VAL A 6 -1.158 15.570 -3.440 1.00 0.00 C ATOM 86 CG1 VAL A 6 0.070 14.674 -3.418 1.00 0.00 C ATOM 87 CG2 VAL A 6 -0.992 16.693 -4.453 1.00 0.00 C ATOM 0 H VAL A 6 -3.361 16.608 -3.971 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.244 14.135 -4.632 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.269 16.017 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.954 15.273 -3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.050 13.910 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.188 14.195 -4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.093 17.264 -4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.904 16.270 -5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.860 17.351 -4.412 1.00 0.00 H new ATOM 97 N SER A 7 -2.676 12.532 -2.794 1.00 0.00 N ATOM 98 CA SER A 7 -2.940 11.556 -1.743 1.00 0.00 C ATOM 99 C SER A 7 -1.649 11.168 -1.029 1.00 0.00 C ATOM 100 O SER A 7 -0.780 10.515 -1.608 1.00 0.00 O ATOM 101 CB SER A 7 -3.608 10.311 -2.329 1.00 0.00 C ATOM 102 OG SER A 7 -4.463 10.650 -3.408 1.00 0.00 O ATOM 0 H SER A 7 -2.454 12.124 -3.702 1.00 0.00 H new ATOM 0 HA SER A 7 -3.614 12.011 -1.017 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.845 9.612 -2.672 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.181 9.803 -1.553 1.00 0.00 H new ATOM 0 HG SER A 7 -4.495 9.907 -4.046 1.00 0.00 H new ATOM 108 N HIS A 8 -1.527 11.580 0.228 1.00 0.00 N ATOM 109 CA HIS A 8 -0.338 11.285 1.020 1.00 0.00 C ATOM 110 C HIS A 8 -0.504 9.983 1.800 1.00 0.00 C ATOM 111 O HIS A 8 0.479 9.340 2.168 1.00 0.00 O ATOM 112 CB HIS A 8 -0.051 12.436 1.987 1.00 0.00 C ATOM 113 CG HIS A 8 1.408 12.696 2.198 1.00 0.00 C ATOM 114 ND1 HIS A 8 1.952 12.970 3.436 1.00 0.00 N ATOM 115 CD2 HIS A 8 2.439 12.729 1.320 1.00 0.00 C ATOM 116 CE1 HIS A 8 3.254 13.157 3.310 1.00 0.00 C ATOM 117 NE2 HIS A 8 3.574 13.017 2.038 1.00 0.00 N ATOM 0 H HIS A 8 -2.238 12.120 0.721 1.00 0.00 H new ATOM 0 HA HIS A 8 0.502 11.169 0.335 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.521 13.343 1.608 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.514 12.215 2.949 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.380 12.560 0.255 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.940 13.386 4.112 1.00 0.00 H new ATOM 0 HE2 HIS A 8 4.513 13.108 1.650 1.00 0.00 H new ATOM 126 N VAL A 9 -1.753 9.608 2.059 1.00 0.00 N ATOM 127 CA VAL A 9 -2.050 8.389 2.801 1.00 0.00 C ATOM 128 C VAL A 9 -1.622 8.499 4.268 1.00 0.00 C ATOM 129 O VAL A 9 -1.649 7.513 5.004 1.00 0.00 O ATOM 130 CB VAL A 9 -1.362 7.169 2.164 1.00 0.00 C ATOM 131 CG1 VAL A 9 -1.757 5.891 2.886 1.00 0.00 C ATOM 132 CG2 VAL A 9 -1.698 7.080 0.683 1.00 0.00 C ATOM 0 H VAL A 9 -2.577 10.133 1.765 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.131 8.255 2.761 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.284 7.293 2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.259 5.041 2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.458 5.957 3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.837 5.758 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.203 6.211 0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.777 6.982 0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.356 7.983 0.177 1.00 0.00 H new ATOM 142 N GLY A 10 -1.226 9.699 4.689 1.00 0.00 N ATOM 143 CA GLY A 10 -0.818 9.909 6.068 1.00 0.00 C ATOM 144 C GLY A 10 0.116 8.832 6.590 1.00 0.00 C ATOM 145 O GLY A 10 0.185 8.600 7.797 1.00 0.00 O ATOM 0 H GLY A 10 -1.181 10.530 4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.325 10.878 6.150 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.705 9.948 6.700 1.00 0.00 H new ATOM 149 N TRP A 11 0.849 8.181 5.691 1.00 0.00 N ATOM 150 CA TRP A 11 1.781 7.133 6.094 1.00 0.00 C ATOM 151 C TRP A 11 3.158 7.732 6.390 1.00 0.00 C ATOM 152 O TRP A 11 3.507 8.792 5.871 1.00 0.00 O ATOM 153 CB TRP A 11 1.855 6.021 5.020 1.00 0.00 C ATOM 154 CG TRP A 11 3.064 6.053 4.119 1.00 0.00 C ATOM 155 CD1 TRP A 11 3.899 5.006 3.851 1.00 0.00 C ATOM 156 CD2 TRP A 11 3.583 7.175 3.390 1.00 0.00 C ATOM 157 NE1 TRP A 11 4.898 5.402 2.998 1.00 0.00 N ATOM 158 CE2 TRP A 11 4.727 6.728 2.699 1.00 0.00 C ATOM 159 CE3 TRP A 11 3.192 8.509 3.244 1.00 0.00 C ATOM 160 CZ2 TRP A 11 5.481 7.566 1.883 1.00 0.00 C ATOM 161 CZ3 TRP A 11 3.944 9.341 2.436 1.00 0.00 C ATOM 162 CH2 TRP A 11 5.076 8.866 1.763 1.00 0.00 C ATOM 0 H TRP A 11 0.816 8.359 4.687 1.00 0.00 H new ATOM 0 HA TRP A 11 1.416 6.671 7.011 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.827 5.055 5.523 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.962 6.083 4.399 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.789 4.010 4.253 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.646 4.806 2.644 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.317 8.883 3.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.355 7.202 1.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.653 10.375 2.322 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.641 9.540 1.136 1.00 0.00 H new ATOM 173 N ASP A 12 3.922 7.069 7.248 1.00 0.00 N ATOM 174 CA ASP A 12 5.252 7.549 7.598 1.00 0.00 C ATOM 175 C ASP A 12 6.300 6.987 6.640 1.00 0.00 C ATOM 176 O ASP A 12 6.224 5.826 6.235 1.00 0.00 O ATOM 177 CB ASP A 12 5.596 7.164 9.037 1.00 0.00 C ATOM 178 CG ASP A 12 4.420 7.334 9.979 1.00 0.00 C ATOM 179 OD1 ASP A 12 3.416 7.953 9.570 1.00 0.00 O ATOM 180 OD2 ASP A 12 4.504 6.848 11.127 1.00 0.00 O ATOM 0 H ASP A 12 3.646 6.203 7.712 1.00 0.00 H new ATOM 0 HA ASP A 12 5.254 8.636 7.514 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.931 6.127 9.062 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.428 7.776 9.385 1.00 0.00 H new ATOM 185 N PRO A 13 7.290 7.811 6.253 1.00 0.00 N ATOM 186 CA PRO A 13 8.345 7.400 5.325 1.00 0.00 C ATOM 187 C PRO A 13 9.434 6.574 6.004 1.00 0.00 C ATOM 188 O PRO A 13 9.977 5.641 5.414 1.00 0.00 O ATOM 189 CB PRO A 13 8.911 8.733 4.840 1.00 0.00 C ATOM 190 CG PRO A 13 8.710 9.663 5.987 1.00 0.00 C ATOM 191 CD PRO A 13 7.449 9.215 6.681 1.00 0.00 C ATOM 0 HA PRO A 13 7.965 6.760 4.529 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.966 8.645 4.580 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.391 9.084 3.949 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.561 9.630 6.668 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.618 10.693 5.641 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.539 9.295 7.764 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.593 9.822 6.386 1.00 0.00 H new ATOM 199 N GLN A 14 9.754 6.929 7.245 1.00 0.00 N ATOM 200 CA GLN A 14 10.782 6.221 7.999 1.00 0.00 C ATOM 201 C GLN A 14 10.174 5.090 8.821 1.00 0.00 C ATOM 202 O GLN A 14 10.781 4.031 8.981 1.00 0.00 O ATOM 203 CB GLN A 14 11.529 7.190 8.919 1.00 0.00 C ATOM 204 CG GLN A 14 12.553 8.049 8.193 1.00 0.00 C ATOM 205 CD GLN A 14 13.517 7.226 7.361 1.00 0.00 C ATOM 206 OE1 GLN A 14 13.907 6.125 7.749 1.00 0.00 O ATOM 207 NE2 GLN A 14 13.907 7.758 6.208 1.00 0.00 N ATOM 0 H GLN A 14 9.317 7.701 7.748 1.00 0.00 H new ATOM 0 HA GLN A 14 11.486 5.790 7.287 1.00 0.00 H new ATOM 0 HB2 GLN A 14 10.806 7.840 9.413 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.033 6.621 9.701 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.035 8.758 7.547 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.115 8.633 8.922 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.559 8.674 5.925 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.555 7.251 5.605 1.00 0.00 H new ATOM 216 N ASN A 15 8.973 5.320 9.340 1.00 0.00 N ATOM 217 CA ASN A 15 8.282 4.317 10.141 1.00 0.00 C ATOM 218 C ASN A 15 7.461 3.388 9.254 1.00 0.00 C ATOM 219 O ASN A 15 7.265 2.217 9.577 1.00 0.00 O ATOM 220 CB ASN A 15 7.376 4.993 11.172 1.00 0.00 C ATOM 221 CG ASN A 15 8.143 5.485 12.384 1.00 0.00 C ATOM 222 OD1 ASN A 15 8.511 4.702 13.259 1.00 0.00 O ATOM 223 ND2 ASN A 15 8.388 6.789 12.440 1.00 0.00 N ATOM 0 H ASN A 15 8.458 6.192 9.220 1.00 0.00 H new ATOM 0 HA ASN A 15 9.032 3.723 10.663 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.863 5.834 10.705 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.608 4.289 11.493 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.900 7.178 13.231 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.064 7.401 11.691 1.00 0.00 H new ATOM 230 N GLY A 16 6.987 3.919 8.131 1.00 0.00 N ATOM 231 CA GLY A 16 6.196 3.124 7.210 1.00 0.00 C ATOM 232 C GLY A 16 4.715 3.430 7.300 1.00 0.00 C ATOM 233 O GLY A 16 4.323 4.575 7.524 1.00 0.00 O ATOM 0 H GLY A 16 7.137 4.886 7.843 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.540 3.306 6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.358 2.066 7.417 1.00 0.00 H new ATOM 237 N PHE A 17 3.890 2.404 7.118 1.00 0.00 N ATOM 238 CA PHE A 17 2.443 2.568 7.174 1.00 0.00 C ATOM 239 C PHE A 17 1.944 2.548 8.615 1.00 0.00 C ATOM 240 O PHE A 17 2.559 1.936 9.488 1.00 0.00 O ATOM 241 CB PHE A 17 1.753 1.464 6.371 1.00 0.00 C ATOM 242 CG PHE A 17 0.879 1.981 5.264 1.00 0.00 C ATOM 243 CD1 PHE A 17 -0.283 2.680 5.550 1.00 0.00 C ATOM 244 CD2 PHE A 17 1.221 1.769 3.938 1.00 0.00 C ATOM 245 CE1 PHE A 17 -1.088 3.157 4.533 1.00 0.00 C ATOM 246 CE2 PHE A 17 0.419 2.244 2.918 1.00 0.00 C ATOM 247 CZ PHE A 17 -0.736 2.939 3.215 1.00 0.00 C ATOM 0 H PHE A 17 4.199 1.450 6.930 1.00 0.00 H new ATOM 0 HA PHE A 17 2.198 3.536 6.738 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.512 0.807 5.946 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.149 0.858 7.047 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.562 2.854 6.579 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.124 1.227 3.699 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.992 3.700 4.768 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.696 2.071 1.888 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.363 3.312 2.419 1.00 0.00 H new ATOM 257 N ASP A 18 0.821 3.218 8.853 1.00 0.00 N ATOM 258 CA ASP A 18 0.229 3.274 10.185 1.00 0.00 C ATOM 259 C ASP A 18 -0.715 2.098 10.409 1.00 0.00 C ATOM 260 O ASP A 18 -1.898 2.282 10.695 1.00 0.00 O ATOM 261 CB ASP A 18 -0.526 4.589 10.372 1.00 0.00 C ATOM 262 CG ASP A 18 -0.550 5.043 11.819 1.00 0.00 C ATOM 263 OD1 ASP A 18 -0.082 4.279 12.689 1.00 0.00 O ATOM 264 OD2 ASP A 18 -1.037 6.163 12.081 1.00 0.00 O ATOM 0 H ASP A 18 0.302 3.730 8.140 1.00 0.00 H new ATOM 0 HA ASP A 18 1.034 3.216 10.918 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.061 5.362 9.760 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.549 4.471 10.014 1.00 0.00 H new ATOM 269 N VAL A 19 -0.183 0.889 10.275 1.00 0.00 N ATOM 270 CA VAL A 19 -0.973 -0.324 10.460 1.00 0.00 C ATOM 271 C VAL A 19 -1.771 -0.272 11.758 1.00 0.00 C ATOM 272 O VAL A 19 -2.815 -0.912 11.881 1.00 0.00 O ATOM 273 CB VAL A 19 -0.081 -1.577 10.466 1.00 0.00 C ATOM 274 CG1 VAL A 19 0.241 -2.004 9.042 1.00 0.00 C ATOM 275 CG2 VAL A 19 1.193 -1.321 11.258 1.00 0.00 C ATOM 0 H VAL A 19 0.795 0.722 10.038 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.663 -0.383 9.619 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.623 -2.389 10.951 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.873 -2.892 9.062 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.684 -2.229 8.512 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.765 -1.197 8.530 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.812 -2.218 11.252 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.744 -0.497 10.805 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.937 -1.064 12.286 1.00 0.00 H new ATOM 285 N ASN A 20 -1.277 0.498 12.720 1.00 0.00 N ATOM 286 CA ASN A 20 -1.949 0.637 14.006 1.00 0.00 C ATOM 287 C ASN A 20 -3.198 1.506 13.883 1.00 0.00 C ATOM 288 O ASN A 20 -4.088 1.447 14.731 1.00 0.00 O ATOM 289 CB ASN A 20 -0.995 1.239 15.040 1.00 0.00 C ATOM 290 CG ASN A 20 -0.503 0.210 16.039 1.00 0.00 C ATOM 291 OD1 ASN A 20 -0.767 0.316 17.237 1.00 0.00 O ATOM 292 ND2 ASN A 20 0.215 -0.794 15.550 1.00 0.00 N ATOM 0 H ASN A 20 -0.414 1.035 12.634 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.254 -0.356 14.335 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.141 1.682 14.528 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.501 2.045 15.572 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.572 -1.517 16.174 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.410 -0.842 14.550 1.00 0.00 H new ATOM 299 N ASN A 21 -3.263 2.310 12.824 1.00 0.00 N ATOM 300 CA ASN A 21 -4.405 3.190 12.606 1.00 0.00 C ATOM 301 C ASN A 21 -4.949 3.056 11.186 1.00 0.00 C ATOM 302 O ASN A 21 -5.631 3.952 10.688 1.00 0.00 O ATOM 303 CB ASN A 21 -4.012 4.644 12.877 1.00 0.00 C ATOM 304 CG ASN A 21 -3.322 4.817 14.216 1.00 0.00 C ATOM 305 OD1 ASN A 21 -2.507 3.987 14.619 1.00 0.00 O ATOM 306 ND2 ASN A 21 -3.647 5.899 14.913 1.00 0.00 N ATOM 0 H ASN A 21 -2.540 2.369 12.107 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.191 2.892 13.300 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.351 4.993 12.083 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.904 5.270 12.847 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.216 6.069 15.822 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.328 6.561 14.540 1.00 0.00 H new ATOM 313 N LEU A 22 -4.652 1.932 10.537 1.00 0.00 N ATOM 314 CA LEU A 22 -5.130 1.688 9.180 1.00 0.00 C ATOM 315 C LEU A 22 -6.635 1.444 9.165 1.00 0.00 C ATOM 316 O LEU A 22 -7.230 1.105 10.187 1.00 0.00 O ATOM 317 CB LEU A 22 -4.402 0.501 8.552 1.00 0.00 C ATOM 318 CG LEU A 22 -3.025 0.825 7.969 1.00 0.00 C ATOM 319 CD1 LEU A 22 -2.417 -0.411 7.327 1.00 0.00 C ATOM 320 CD2 LEU A 22 -3.129 1.956 6.956 1.00 0.00 C ATOM 0 H LEU A 22 -4.085 1.179 10.928 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.918 2.580 8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.287 -0.277 9.307 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.027 0.087 7.761 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.373 1.149 8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.438 -0.164 6.917 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.309 -1.195 8.077 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.067 -0.762 6.526 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.141 2.174 6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.796 1.659 6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.525 2.846 7.444 1.00 0.00 H new ATOM 332 N ASP A 23 -7.245 1.635 8.000 1.00 0.00 N ATOM 333 CA ASP A 23 -8.683 1.449 7.850 1.00 0.00 C ATOM 334 C ASP A 23 -9.022 -0.015 7.573 1.00 0.00 C ATOM 335 O ASP A 23 -8.294 -0.705 6.860 1.00 0.00 O ATOM 336 CB ASP A 23 -9.215 2.327 6.716 1.00 0.00 C ATOM 337 CG ASP A 23 -10.730 2.373 6.685 1.00 0.00 C ATOM 338 OD1 ASP A 23 -11.318 3.130 7.485 1.00 0.00 O ATOM 339 OD2 ASP A 23 -11.329 1.648 5.862 1.00 0.00 O ATOM 0 H ASP A 23 -6.765 1.919 7.146 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.159 1.742 8.786 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.825 3.339 6.830 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.846 1.948 5.763 1.00 0.00 H new ATOM 344 N PRO A 24 -10.143 -0.507 8.131 1.00 0.00 N ATOM 345 CA PRO A 24 -10.579 -1.895 7.941 1.00 0.00 C ATOM 346 C PRO A 24 -10.742 -2.258 6.469 1.00 0.00 C ATOM 347 O PRO A 24 -10.762 -3.435 6.110 1.00 0.00 O ATOM 348 CB PRO A 24 -11.932 -1.953 8.655 1.00 0.00 C ATOM 349 CG PRO A 24 -11.894 -0.833 9.636 1.00 0.00 C ATOM 350 CD PRO A 24 -11.069 0.247 8.996 1.00 0.00 C ATOM 0 HA PRO A 24 -9.847 -2.602 8.331 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.756 -1.834 7.951 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.075 -2.911 9.154 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.899 -0.476 9.860 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.452 -1.155 10.579 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.686 0.938 8.421 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.535 0.839 9.739 1.00 0.00 H new ATOM 358 N ASP A 25 -10.860 -1.243 5.621 1.00 0.00 N ATOM 359 CA ASP A 25 -11.026 -1.464 4.191 1.00 0.00 C ATOM 360 C ASP A 25 -9.683 -1.738 3.523 1.00 0.00 C ATOM 361 O ASP A 25 -9.493 -2.781 2.897 1.00 0.00 O ATOM 362 CB ASP A 25 -11.694 -0.251 3.541 1.00 0.00 C ATOM 363 CG ASP A 25 -13.182 -0.188 3.825 1.00 0.00 C ATOM 364 OD1 ASP A 25 -13.877 -1.197 3.578 1.00 0.00 O ATOM 365 OD2 ASP A 25 -13.653 0.869 4.295 1.00 0.00 O ATOM 0 H ASP A 25 -10.844 -0.262 5.899 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.663 -2.338 4.055 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.219 0.660 3.905 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.534 -0.286 2.463 1.00 0.00 H new ATOM 370 N LEU A 26 -8.761 -0.788 3.642 1.00 0.00 N ATOM 371 CA LEU A 26 -7.439 -0.931 3.043 1.00 0.00 C ATOM 372 C LEU A 26 -6.603 -1.964 3.791 1.00 0.00 C ATOM 373 O LEU A 26 -5.886 -2.753 3.180 1.00 0.00 O ATOM 374 CB LEU A 26 -6.713 0.413 3.016 1.00 0.00 C ATOM 375 CG LEU A 26 -6.350 0.984 4.386 1.00 0.00 C ATOM 376 CD1 LEU A 26 -4.940 0.570 4.781 1.00 0.00 C ATOM 377 CD2 LEU A 26 -6.483 2.497 4.373 1.00 0.00 C ATOM 0 H LEU A 26 -8.904 0.087 4.146 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.575 -1.279 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.799 0.302 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.339 1.136 2.493 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.041 0.582 5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.699 0.986 5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.879 -0.517 4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.231 0.945 4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.222 2.894 5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.812 2.915 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.511 2.770 4.133 1.00 0.00 H new ATOM 389 N ARG A 27 -6.687 -1.951 5.117 1.00 0.00 N ATOM 390 CA ARG A 27 -5.938 -2.905 5.923 1.00 0.00 C ATOM 391 C ARG A 27 -6.298 -4.331 5.518 1.00 0.00 C ATOM 392 O ARG A 27 -5.454 -5.227 5.533 1.00 0.00 O ATOM 393 CB ARG A 27 -6.207 -2.683 7.416 1.00 0.00 C ATOM 394 CG ARG A 27 -7.557 -3.196 7.887 1.00 0.00 C ATOM 395 CD ARG A 27 -7.428 -4.541 8.583 1.00 0.00 C ATOM 396 NE ARG A 27 -8.610 -5.375 8.387 1.00 0.00 N ATOM 397 CZ ARG A 27 -8.788 -6.550 8.983 1.00 0.00 C ATOM 398 NH1 ARG A 27 -7.864 -7.024 9.807 1.00 0.00 N ATOM 399 NH2 ARG A 27 -9.889 -7.251 8.754 1.00 0.00 N ATOM 0 H ARG A 27 -7.260 -1.297 5.651 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.874 -2.750 5.745 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.423 -3.174 7.992 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.141 -1.617 7.631 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.005 -2.473 8.569 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.230 -3.289 7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.549 -5.063 8.203 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.269 -4.383 9.650 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.339 -5.038 7.758 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.015 -6.487 9.984 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.002 -7.926 10.264 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.601 -6.889 8.120 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.024 -8.152 9.212 1.00 0.00 H new ATOM 413 N SER A 28 -7.557 -4.527 5.137 1.00 0.00 N ATOM 414 CA SER A 28 -8.029 -5.831 4.689 1.00 0.00 C ATOM 415 C SER A 28 -7.317 -6.248 3.406 1.00 0.00 C ATOM 416 O SER A 28 -6.992 -7.420 3.216 1.00 0.00 O ATOM 417 CB SER A 28 -9.541 -5.799 4.460 1.00 0.00 C ATOM 418 OG SER A 28 -10.013 -7.051 3.991 1.00 0.00 O ATOM 0 H SER A 28 -8.269 -3.797 5.130 1.00 0.00 H new ATOM 0 HA SER A 28 -7.804 -6.561 5.466 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.047 -5.541 5.390 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.786 -5.021 3.737 1.00 0.00 H new ATOM 0 HG SER A 28 -10.982 -7.005 3.854 1.00 0.00 H new ATOM 424 N LEU A 29 -7.079 -5.277 2.527 1.00 0.00 N ATOM 425 CA LEU A 29 -6.400 -5.537 1.262 1.00 0.00 C ATOM 426 C LEU A 29 -5.036 -6.179 1.515 1.00 0.00 C ATOM 427 O LEU A 29 -4.763 -7.282 1.044 1.00 0.00 O ATOM 428 CB LEU A 29 -6.268 -4.227 0.459 1.00 0.00 C ATOM 429 CG LEU A 29 -5.021 -4.084 -0.425 1.00 0.00 C ATOM 430 CD1 LEU A 29 -5.116 -4.995 -1.637 1.00 0.00 C ATOM 431 CD2 LEU A 29 -4.839 -2.637 -0.856 1.00 0.00 C ATOM 0 H LEU A 29 -7.347 -4.303 2.669 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.991 -6.238 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.149 -4.126 -0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.285 -3.394 1.162 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.150 -4.382 0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.223 -4.879 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.198 -6.031 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.996 -4.730 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.951 -2.553 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.713 -2.313 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.723 -2.007 0.026 1.00 0.00 H new ATOM 443 N PHE A 30 -4.189 -5.485 2.270 1.00 0.00 N ATOM 444 CA PHE A 30 -2.864 -6.000 2.595 1.00 0.00 C ATOM 445 C PHE A 30 -2.964 -7.417 3.150 1.00 0.00 C ATOM 446 O PHE A 30 -2.174 -8.293 2.796 1.00 0.00 O ATOM 447 CB PHE A 30 -2.171 -5.085 3.609 1.00 0.00 C ATOM 448 CG PHE A 30 -2.105 -3.648 3.174 1.00 0.00 C ATOM 449 CD1 PHE A 30 -1.977 -3.322 1.833 1.00 0.00 C ATOM 450 CD2 PHE A 30 -2.170 -2.623 4.106 1.00 0.00 C ATOM 451 CE1 PHE A 30 -1.916 -2.002 1.429 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.108 -1.301 3.707 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.981 -0.990 2.367 1.00 0.00 C ATOM 0 H PHE A 30 -4.396 -4.568 2.666 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.270 -6.024 1.681 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.700 -5.144 4.560 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.159 -5.450 3.783 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.924 -4.109 1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.270 -2.860 5.155 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.818 -1.762 0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.159 -0.512 4.442 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.933 0.042 2.053 1.00 0.00 H new ATOM 463 N SER A 31 -3.951 -7.636 4.014 1.00 0.00 N ATOM 464 CA SER A 31 -4.177 -8.950 4.601 1.00 0.00 C ATOM 465 C SER A 31 -4.527 -9.970 3.522 1.00 0.00 C ATOM 466 O SER A 31 -3.864 -10.998 3.386 1.00 0.00 O ATOM 467 CB SER A 31 -5.301 -8.882 5.637 1.00 0.00 C ATOM 468 OG SER A 31 -4.962 -8.011 6.703 1.00 0.00 O ATOM 0 H SER A 31 -4.607 -6.918 4.323 1.00 0.00 H new ATOM 0 HA SER A 31 -3.257 -9.266 5.094 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.219 -8.538 5.160 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.500 -9.880 6.028 1.00 0.00 H new ATOM 0 HG SER A 31 -5.088 -7.082 6.419 1.00 0.00 H new ATOM 474 N ARG A 32 -5.573 -9.675 2.755 1.00 0.00 N ATOM 475 CA ARG A 32 -6.009 -10.560 1.681 1.00 0.00 C ATOM 476 C ARG A 32 -4.893 -10.764 0.662 1.00 0.00 C ATOM 477 O ARG A 32 -4.850 -11.779 -0.034 1.00 0.00 O ATOM 478 CB ARG A 32 -7.247 -9.985 0.988 1.00 0.00 C ATOM 479 CG ARG A 32 -8.539 -10.233 1.748 1.00 0.00 C ATOM 480 CD ARG A 32 -9.613 -9.229 1.363 1.00 0.00 C ATOM 481 NE ARG A 32 -10.838 -9.884 0.911 1.00 0.00 N ATOM 482 CZ ARG A 32 -11.578 -10.674 1.682 1.00 0.00 C ATOM 483 NH1 ARG A 32 -11.220 -10.905 2.938 1.00 0.00 N ATOM 484 NH2 ARG A 32 -12.679 -11.232 1.198 1.00 0.00 N ATOM 0 H ARG A 32 -6.134 -8.829 2.858 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.262 -11.526 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.113 -8.911 0.856 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.331 -10.421 -0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.894 -11.243 1.544 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.350 -10.172 2.820 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.837 -8.592 2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.236 -8.580 0.572 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.142 -9.726 -0.050 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.375 -10.476 3.315 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.790 -11.512 3.527 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.959 -11.055 0.233 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.246 -11.838 1.790 1.00 0.00 H new ATOM 498 N ALA A 33 -3.990 -9.791 0.581 1.00 0.00 N ATOM 499 CA ALA A 33 -2.870 -9.861 -0.350 1.00 0.00 C ATOM 500 C ALA A 33 -1.730 -10.705 0.217 1.00 0.00 C ATOM 501 O ALA A 33 -0.864 -11.171 -0.523 1.00 0.00 O ATOM 502 CB ALA A 33 -2.376 -8.461 -0.683 1.00 0.00 C ATOM 0 H ALA A 33 -4.013 -8.944 1.150 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.220 -10.341 -1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.540 -8.526 -1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.184 -7.889 -1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.050 -7.963 0.230 1.00 0.00 H new ATOM 508 N GLY A 34 -1.734 -10.900 1.534 1.00 0.00 N ATOM 509 CA GLY A 34 -0.691 -11.680 2.173 1.00 0.00 C ATOM 510 C GLY A 34 0.451 -10.822 2.686 1.00 0.00 C ATOM 511 O GLY A 34 1.521 -11.335 3.014 1.00 0.00 O ATOM 0 H GLY A 34 -2.442 -10.531 2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.120 -12.241 3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.301 -12.409 1.463 1.00 0.00 H new ATOM 515 N ILE A 35 0.227 -9.512 2.751 1.00 0.00 N ATOM 516 CA ILE A 35 1.246 -8.584 3.225 1.00 0.00 C ATOM 517 C ILE A 35 1.191 -8.434 4.742 1.00 0.00 C ATOM 518 O ILE A 35 0.162 -8.056 5.303 1.00 0.00 O ATOM 519 CB ILE A 35 1.084 -7.199 2.572 1.00 0.00 C ATOM 520 CG1 ILE A 35 1.132 -7.325 1.048 1.00 0.00 C ATOM 521 CG2 ILE A 35 2.162 -6.247 3.066 1.00 0.00 C ATOM 522 CD1 ILE A 35 0.946 -6.010 0.323 1.00 0.00 C ATOM 0 H ILE A 35 -0.652 -9.071 2.481 1.00 0.00 H new ATOM 0 HA ILE A 35 2.213 -9.000 2.943 1.00 0.00 H new ATOM 0 HB ILE A 35 0.114 -6.791 2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.090 -7.757 0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.357 -8.021 0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.032 -5.273 2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.084 -6.139 4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.144 -6.645 2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.992 -6.178 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.024 -5.585 0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.736 -5.318 0.616 1.00 0.00 H new ATOM 534 N SER A 36 2.306 -8.733 5.401 1.00 0.00 N ATOM 535 CA SER A 36 2.387 -8.628 6.853 1.00 0.00 C ATOM 536 C SER A 36 2.798 -7.220 7.274 1.00 0.00 C ATOM 537 O SER A 36 3.372 -6.469 6.486 1.00 0.00 O ATOM 538 CB SER A 36 3.387 -9.648 7.403 1.00 0.00 C ATOM 539 OG SER A 36 4.624 -9.571 6.716 1.00 0.00 O ATOM 0 H SER A 36 3.166 -9.050 4.952 1.00 0.00 H new ATOM 0 HA SER A 36 1.399 -8.838 7.264 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.546 -9.469 8.466 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.976 -10.653 7.307 1.00 0.00 H new ATOM 0 HG SER A 36 5.246 -10.231 7.087 1.00 0.00 H new ATOM 545 N GLU A 37 2.499 -6.870 8.521 1.00 0.00 N ATOM 546 CA GLU A 37 2.838 -5.553 9.046 1.00 0.00 C ATOM 547 C GLU A 37 4.319 -5.250 8.845 1.00 0.00 C ATOM 548 O GLU A 37 4.707 -4.098 8.654 1.00 0.00 O ATOM 549 CB GLU A 37 2.484 -5.467 10.531 1.00 0.00 C ATOM 550 CG GLU A 37 1.166 -4.761 10.801 1.00 0.00 C ATOM 551 CD GLU A 37 0.390 -5.389 11.942 1.00 0.00 C ATOM 552 OE1 GLU A 37 -0.358 -6.356 11.690 1.00 0.00 O ATOM 553 OE2 GLU A 37 0.530 -4.912 13.088 1.00 0.00 O ATOM 0 H GLU A 37 2.023 -7.480 9.186 1.00 0.00 H new ATOM 0 HA GLU A 37 2.258 -4.811 8.498 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.438 -6.475 10.944 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.282 -4.943 11.057 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.360 -3.714 11.032 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.556 -4.781 9.898 1.00 0.00 H new ATOM 560 N ALA A 38 5.142 -6.294 8.882 1.00 0.00 N ATOM 561 CA ALA A 38 6.580 -6.139 8.697 1.00 0.00 C ATOM 562 C ALA A 38 6.882 -5.398 7.400 1.00 0.00 C ATOM 563 O ALA A 38 7.747 -4.522 7.359 1.00 0.00 O ATOM 564 CB ALA A 38 7.263 -7.498 8.702 1.00 0.00 C ATOM 0 H ALA A 38 4.838 -7.255 9.038 1.00 0.00 H new ATOM 0 HA ALA A 38 6.970 -5.548 9.526 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.336 -7.366 8.563 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.079 -7.994 9.655 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.864 -8.109 7.892 1.00 0.00 H new ATOM 570 N GLN A 39 6.153 -5.745 6.346 1.00 0.00 N ATOM 571 CA GLN A 39 6.335 -5.108 5.048 1.00 0.00 C ATOM 572 C GLN A 39 5.677 -3.733 5.026 1.00 0.00 C ATOM 573 O GLN A 39 6.183 -2.802 4.401 1.00 0.00 O ATOM 574 CB GLN A 39 5.748 -5.986 3.940 1.00 0.00 C ATOM 575 CG GLN A 39 6.343 -7.384 3.893 1.00 0.00 C ATOM 576 CD GLN A 39 5.410 -8.393 3.254 1.00 0.00 C ATOM 577 OE1 GLN A 39 5.105 -9.432 3.840 1.00 0.00 O ATOM 578 NE2 GLN A 39 4.952 -8.091 2.046 1.00 0.00 N ATOM 0 H GLN A 39 5.430 -6.464 6.365 1.00 0.00 H new ATOM 0 HA GLN A 39 7.404 -4.984 4.875 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.670 -6.063 4.082 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.909 -5.499 2.978 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.280 -7.358 3.337 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.583 -7.707 4.906 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.232 -7.218 1.598 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.320 -8.732 1.565 1.00 0.00 H new ATOM 587 N LEU A 40 4.557 -3.607 5.728 1.00 0.00 N ATOM 588 CA LEU A 40 3.834 -2.342 5.792 1.00 0.00 C ATOM 589 C LEU A 40 4.605 -1.313 6.614 1.00 0.00 C ATOM 590 O LEU A 40 4.410 -0.108 6.456 1.00 0.00 O ATOM 591 CB LEU A 40 2.446 -2.556 6.399 1.00 0.00 C ATOM 592 CG LEU A 40 1.470 -3.336 5.517 1.00 0.00 C ATOM 593 CD1 LEU A 40 0.238 -3.739 6.313 1.00 0.00 C ATOM 594 CD2 LEU A 40 1.077 -2.512 4.300 1.00 0.00 C ATOM 0 H LEU A 40 4.130 -4.365 6.261 1.00 0.00 H new ATOM 0 HA LEU A 40 3.727 -1.962 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.557 -3.083 7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.010 -1.583 6.625 1.00 0.00 H new ATOM 0 HG LEU A 40 1.966 -4.243 5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.446 -4.293 5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.536 -4.367 7.152 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.261 -2.846 6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.382 -3.082 3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.599 -1.588 4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.968 -2.275 3.718 1.00 0.00 H new ATOM 606 N THR A 41 5.484 -1.794 7.488 1.00 0.00 N ATOM 607 CA THR A 41 6.277 -0.913 8.336 1.00 0.00 C ATOM 608 C THR A 41 7.669 -0.664 7.750 1.00 0.00 C ATOM 609 O THR A 41 8.435 0.139 8.283 1.00 0.00 O ATOM 610 CB THR A 41 6.402 -1.511 9.739 1.00 0.00 C ATOM 611 OG1 THR A 41 7.204 -2.680 9.715 1.00 0.00 O ATOM 612 CG2 THR A 41 5.069 -1.880 10.353 1.00 0.00 C ATOM 0 H THR A 41 5.664 -2.788 7.627 1.00 0.00 H new ATOM 0 HA THR A 41 5.762 0.046 8.391 1.00 0.00 H new ATOM 0 HB THR A 41 6.859 -0.731 10.347 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.230 -3.041 8.804 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.229 -2.298 11.347 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.445 -0.990 10.430 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.571 -2.619 9.725 1.00 0.00 H new ATOM 620 N ASP A 42 7.992 -1.341 6.648 1.00 0.00 N ATOM 621 CA ASP A 42 9.292 -1.174 6.007 1.00 0.00 C ATOM 622 C ASP A 42 9.305 0.071 5.126 1.00 0.00 C ATOM 623 O ASP A 42 8.465 0.226 4.242 1.00 0.00 O ATOM 624 CB ASP A 42 9.635 -2.409 5.169 1.00 0.00 C ATOM 625 CG ASP A 42 11.128 -2.575 4.968 1.00 0.00 C ATOM 626 OD1 ASP A 42 11.832 -1.548 4.872 1.00 0.00 O ATOM 627 OD2 ASP A 42 11.593 -3.732 4.907 1.00 0.00 O ATOM 0 H ASP A 42 7.374 -2.006 6.184 1.00 0.00 H new ATOM 0 HA ASP A 42 10.043 -1.055 6.788 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.236 -3.298 5.657 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.147 -2.332 4.197 1.00 0.00 H new ATOM 632 N ALA A 43 10.257 0.961 5.384 1.00 0.00 N ATOM 633 CA ALA A 43 10.373 2.201 4.625 1.00 0.00 C ATOM 634 C ALA A 43 10.387 1.941 3.121 1.00 0.00 C ATOM 635 O ALA A 43 9.844 2.725 2.342 1.00 0.00 O ATOM 636 CB ALA A 43 11.626 2.956 5.041 1.00 0.00 C ATOM 0 H ALA A 43 10.960 0.847 6.114 1.00 0.00 H new ATOM 0 HA ALA A 43 9.497 2.810 4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.701 3.880 4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.573 3.192 6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.503 2.338 4.850 1.00 0.00 H new ATOM 642 N GLU A 44 11.023 0.847 2.715 1.00 0.00 N ATOM 643 CA GLU A 44 11.126 0.502 1.301 1.00 0.00 C ATOM 644 C GLU A 44 9.787 0.027 0.744 1.00 0.00 C ATOM 645 O GLU A 44 9.247 0.619 -0.192 1.00 0.00 O ATOM 646 CB GLU A 44 12.187 -0.582 1.100 1.00 0.00 C ATOM 647 CG GLU A 44 12.335 -1.028 -0.345 1.00 0.00 C ATOM 648 CD GLU A 44 13.543 -1.918 -0.559 1.00 0.00 C ATOM 649 OE1 GLU A 44 14.154 -2.341 0.444 1.00 0.00 O ATOM 650 OE2 GLU A 44 13.878 -2.192 -1.731 1.00 0.00 O ATOM 0 H GLU A 44 11.475 0.184 3.345 1.00 0.00 H new ATOM 0 HA GLU A 44 11.418 1.401 0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.147 -0.209 1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.933 -1.446 1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.436 -1.563 -0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.417 -0.150 -0.986 1.00 0.00 H new ATOM 657 N THR A 45 9.257 -1.045 1.323 1.00 0.00 N ATOM 658 CA THR A 45 7.987 -1.607 0.877 1.00 0.00 C ATOM 659 C THR A 45 6.837 -0.645 1.152 1.00 0.00 C ATOM 660 O THR A 45 5.866 -0.593 0.401 1.00 0.00 O ATOM 661 CB THR A 45 7.725 -2.942 1.577 1.00 0.00 C ATOM 662 OG1 THR A 45 8.936 -3.507 2.045 1.00 0.00 O ATOM 663 CG2 THR A 45 7.050 -3.966 0.692 1.00 0.00 C ATOM 0 H THR A 45 9.687 -1.542 2.103 1.00 0.00 H new ATOM 0 HA THR A 45 8.050 -1.771 -0.199 1.00 0.00 H new ATOM 0 HB THR A 45 7.053 -2.706 2.402 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.748 -4.359 2.491 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.896 -4.887 1.254 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.087 -3.579 0.357 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.680 -4.170 -0.174 1.00 0.00 H new ATOM 671 N SER A 46 6.951 0.120 2.230 1.00 0.00 N ATOM 672 CA SER A 46 5.918 1.082 2.586 1.00 0.00 C ATOM 673 C SER A 46 5.707 2.076 1.453 1.00 0.00 C ATOM 674 O SER A 46 4.576 2.433 1.130 1.00 0.00 O ATOM 675 CB SER A 46 6.300 1.826 3.867 1.00 0.00 C ATOM 676 OG SER A 46 7.485 2.580 3.685 1.00 0.00 O ATOM 0 H SER A 46 7.745 0.093 2.870 1.00 0.00 H new ATOM 0 HA SER A 46 4.988 0.540 2.758 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.486 2.488 4.163 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.441 1.111 4.678 1.00 0.00 H new ATOM 0 HG SER A 46 7.396 3.444 4.138 1.00 0.00 H new ATOM 682 N LYS A 47 6.809 2.510 0.851 1.00 0.00 N ATOM 683 CA LYS A 47 6.764 3.465 -0.250 1.00 0.00 C ATOM 684 C LYS A 47 5.993 2.907 -1.442 1.00 0.00 C ATOM 685 O LYS A 47 5.093 3.558 -1.972 1.00 0.00 O ATOM 686 CB LYS A 47 8.188 3.833 -0.677 1.00 0.00 C ATOM 687 CG LYS A 47 8.250 4.755 -1.884 1.00 0.00 C ATOM 688 CD LYS A 47 8.234 6.216 -1.467 1.00 0.00 C ATOM 689 CE LYS A 47 8.988 7.088 -2.457 1.00 0.00 C ATOM 690 NZ LYS A 47 10.402 7.302 -2.044 1.00 0.00 N ATOM 0 H LYS A 47 7.750 2.213 1.109 1.00 0.00 H new ATOM 0 HA LYS A 47 6.244 4.357 0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.696 4.312 0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.737 2.919 -0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.155 4.548 -2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.404 4.553 -2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.203 6.561 -1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.681 6.318 -0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.964 6.622 -3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.486 8.052 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.882 7.902 -2.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.425 7.769 -1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.888 6.385 -1.982 1.00 0.00 H new ATOM 704 N LEU A 48 6.380 1.721 -1.892 1.00 0.00 N ATOM 705 CA LEU A 48 5.727 1.100 -3.038 1.00 0.00 C ATOM 706 C LEU A 48 4.287 0.709 -2.710 1.00 0.00 C ATOM 707 O LEU A 48 3.421 0.713 -3.585 1.00 0.00 O ATOM 708 CB LEU A 48 6.518 -0.125 -3.514 1.00 0.00 C ATOM 709 CG LEU A 48 6.291 -1.410 -2.715 1.00 0.00 C ATOM 710 CD1 LEU A 48 5.002 -2.089 -3.152 1.00 0.00 C ATOM 711 CD2 LEU A 48 7.474 -2.353 -2.878 1.00 0.00 C ATOM 0 H LEU A 48 7.137 1.172 -1.485 1.00 0.00 H new ATOM 0 HA LEU A 48 5.702 1.834 -3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.264 -0.317 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.580 0.117 -3.485 1.00 0.00 H new ATOM 0 HG LEU A 48 6.201 -1.150 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.857 -3.001 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.161 -1.416 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.063 -2.338 -4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.297 -3.262 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.594 -2.607 -3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.380 -1.866 -2.516 1.00 0.00 H new ATOM 723 N ILE A 49 4.035 0.361 -1.449 1.00 0.00 N ATOM 724 CA ILE A 49 2.700 -0.052 -1.026 1.00 0.00 C ATOM 725 C ILE A 49 1.711 1.115 -1.069 1.00 0.00 C ATOM 726 O ILE A 49 0.758 1.093 -1.846 1.00 0.00 O ATOM 727 CB ILE A 49 2.726 -0.677 0.390 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.479 -2.007 0.351 1.00 0.00 C ATOM 729 CG2 ILE A 49 1.317 -0.894 0.934 1.00 0.00 C ATOM 730 CD1 ILE A 49 4.018 -2.440 1.695 1.00 0.00 C ATOM 0 H ILE A 49 4.734 0.357 -0.707 1.00 0.00 H new ATOM 0 HA ILE A 49 2.363 -0.811 -1.732 1.00 0.00 H new ATOM 0 HB ILE A 49 3.237 0.018 1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.812 -2.781 -0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.307 -1.925 -0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.375 -1.334 1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.797 0.062 0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.771 -1.566 0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.540 -3.391 1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.711 -1.686 2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.193 -2.555 2.398 1.00 0.00 H new ATOM 742 N TYR A 50 1.925 2.127 -0.232 1.00 0.00 N ATOM 743 CA TYR A 50 1.022 3.273 -0.209 1.00 0.00 C ATOM 744 C TYR A 50 0.902 3.869 -1.611 1.00 0.00 C ATOM 745 O TYR A 50 -0.168 4.318 -2.021 1.00 0.00 O ATOM 746 CB TYR A 50 1.478 4.324 0.822 1.00 0.00 C ATOM 747 CG TYR A 50 2.412 5.390 0.286 1.00 0.00 C ATOM 748 CD1 TYR A 50 3.664 5.057 -0.206 1.00 0.00 C ATOM 749 CD2 TYR A 50 2.036 6.727 0.272 1.00 0.00 C ATOM 750 CE1 TYR A 50 4.519 6.024 -0.696 1.00 0.00 C ATOM 751 CE2 TYR A 50 2.884 7.702 -0.216 1.00 0.00 C ATOM 752 CZ TYR A 50 4.125 7.346 -0.700 1.00 0.00 C ATOM 753 OH TYR A 50 4.973 8.313 -1.187 1.00 0.00 O ATOM 0 H TYR A 50 2.701 2.177 0.428 1.00 0.00 H new ATOM 0 HA TYR A 50 0.034 2.934 0.103 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.595 4.812 1.235 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.973 3.810 1.646 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.976 4.023 -0.206 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.064 7.009 0.649 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.492 5.747 -1.074 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.577 8.737 -0.218 1.00 0.00 H new ATOM 0 HH TYR A 50 5.271 8.887 -0.451 1.00 0.00 H new ATOM 763 N ASP A 51 2.012 3.848 -2.346 1.00 0.00 N ATOM 764 CA ASP A 51 2.034 4.348 -3.714 1.00 0.00 C ATOM 765 C ASP A 51 0.988 3.631 -4.558 1.00 0.00 C ATOM 766 O ASP A 51 0.391 4.220 -5.459 1.00 0.00 O ATOM 767 CB ASP A 51 3.423 4.157 -4.329 1.00 0.00 C ATOM 768 CG ASP A 51 4.366 5.295 -3.993 1.00 0.00 C ATOM 769 OD1 ASP A 51 3.887 6.336 -3.496 1.00 0.00 O ATOM 770 OD2 ASP A 51 5.584 5.146 -4.228 1.00 0.00 O ATOM 0 H ASP A 51 2.907 3.489 -2.014 1.00 0.00 H new ATOM 0 HA ASP A 51 1.801 5.413 -3.695 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.849 3.219 -3.973 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.330 4.074 -5.412 1.00 0.00 H new ATOM 775 N PHE A 52 0.768 2.353 -4.258 1.00 0.00 N ATOM 776 CA PHE A 52 -0.220 1.561 -4.977 1.00 0.00 C ATOM 777 C PHE A 52 -1.616 2.119 -4.736 1.00 0.00 C ATOM 778 O PHE A 52 -2.465 2.109 -5.625 1.00 0.00 O ATOM 779 CB PHE A 52 -0.155 0.097 -4.539 1.00 0.00 C ATOM 780 CG PHE A 52 -1.243 -0.753 -5.129 1.00 0.00 C ATOM 781 CD1 PHE A 52 -2.470 -0.867 -4.495 1.00 0.00 C ATOM 782 CD2 PHE A 52 -1.041 -1.432 -6.319 1.00 0.00 C ATOM 783 CE1 PHE A 52 -3.474 -1.646 -5.036 1.00 0.00 C ATOM 784 CE2 PHE A 52 -2.041 -2.213 -6.865 1.00 0.00 C ATOM 785 CZ PHE A 52 -3.260 -2.321 -6.223 1.00 0.00 C ATOM 0 H PHE A 52 1.261 1.847 -3.523 1.00 0.00 H new ATOM 0 HA PHE A 52 0.002 1.614 -6.043 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.813 -0.316 -4.823 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.216 0.048 -3.452 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.643 -0.341 -3.568 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.091 -1.350 -6.826 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.426 -1.728 -4.532 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.870 -2.739 -7.793 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.043 -2.931 -6.648 1.00 0.00 H new ATOM 795 N ILE A 53 -1.842 2.620 -3.528 1.00 0.00 N ATOM 796 CA ILE A 53 -3.121 3.222 -3.185 1.00 0.00 C ATOM 797 C ILE A 53 -3.374 4.448 -4.055 1.00 0.00 C ATOM 798 O ILE A 53 -4.519 4.799 -4.340 1.00 0.00 O ATOM 799 CB ILE A 53 -3.170 3.625 -1.699 1.00 0.00 C ATOM 800 CG1 ILE A 53 -2.936 2.398 -0.815 1.00 0.00 C ATOM 801 CG2 ILE A 53 -4.501 4.279 -1.363 1.00 0.00 C ATOM 802 CD1 ILE A 53 -3.126 2.669 0.660 1.00 0.00 C ATOM 0 H ILE A 53 -1.157 2.621 -2.772 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.898 2.479 -3.365 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.379 4.350 -1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.618 1.605 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.924 2.029 -0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.515 4.556 -0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.632 5.172 -1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.312 3.579 -1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.944 1.754 1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.425 3.440 0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.146 3.009 0.839 1.00 0.00 H new ATOM 814 N GLU A 54 -2.289 5.076 -4.501 1.00 0.00 N ATOM 815 CA GLU A 54 -2.381 6.245 -5.364 1.00 0.00 C ATOM 816 C GLU A 54 -2.847 5.844 -6.760 1.00 0.00 C ATOM 817 O GLU A 54 -3.559 6.595 -7.426 1.00 0.00 O ATOM 818 CB GLU A 54 -1.028 6.955 -5.444 1.00 0.00 C ATOM 819 CG GLU A 54 -1.070 8.260 -6.222 1.00 0.00 C ATOM 820 CD GLU A 54 -1.213 9.472 -5.322 1.00 0.00 C ATOM 821 OE1 GLU A 54 -0.592 9.484 -4.239 1.00 0.00 O ATOM 822 OE2 GLU A 54 -1.946 10.410 -5.701 1.00 0.00 O ATOM 0 H GLU A 54 -1.335 4.792 -4.277 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.113 6.931 -4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.672 7.156 -4.433 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.304 6.287 -5.910 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.159 8.356 -6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.903 8.233 -6.924 1.00 0.00 H new ATOM 829 N ASP A 55 -2.450 4.649 -7.194 1.00 0.00 N ATOM 830 CA ASP A 55 -2.848 4.145 -8.503 1.00 0.00 C ATOM 831 C ASP A 55 -4.319 3.734 -8.492 1.00 0.00 C ATOM 832 O ASP A 55 -4.989 3.755 -9.524 1.00 0.00 O ATOM 833 CB ASP A 55 -1.954 2.968 -8.927 1.00 0.00 C ATOM 834 CG ASP A 55 -2.320 1.657 -8.252 1.00 0.00 C ATOM 835 OD1 ASP A 55 -3.473 1.204 -8.416 1.00 0.00 O ATOM 836 OD2 ASP A 55 -1.449 1.077 -7.571 1.00 0.00 O ATOM 0 H ASP A 55 -1.856 4.016 -6.659 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.722 4.944 -9.233 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.020 2.842 -10.008 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.916 3.209 -8.697 1.00 0.00 H new ATOM 841 N GLN A 56 -4.815 3.375 -7.310 1.00 0.00 N ATOM 842 CA GLN A 56 -6.209 2.977 -7.153 1.00 0.00 C ATOM 843 C GLN A 56 -7.116 4.191 -6.954 1.00 0.00 C ATOM 844 O GLN A 56 -8.318 4.043 -6.736 1.00 0.00 O ATOM 845 CB GLN A 56 -6.354 2.030 -5.961 1.00 0.00 C ATOM 846 CG GLN A 56 -5.817 0.631 -6.220 1.00 0.00 C ATOM 847 CD GLN A 56 -6.261 0.073 -7.559 1.00 0.00 C ATOM 848 OE1 GLN A 56 -5.511 -0.639 -8.226 1.00 0.00 O ATOM 849 NE2 GLN A 56 -7.487 0.391 -7.956 1.00 0.00 N ATOM 0 H GLN A 56 -4.271 3.352 -6.448 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.514 2.467 -8.067 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.832 2.457 -5.104 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -7.408 1.960 -5.690 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.728 0.651 -6.182 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.151 -0.035 -5.424 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.075 0.985 -7.371 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.841 0.042 -8.846 1.00 0.00 H new ATOM 858 N GLY A 57 -6.540 5.392 -7.024 1.00 0.00 N ATOM 859 CA GLY A 57 -7.325 6.596 -6.837 1.00 0.00 C ATOM 860 C GLY A 57 -7.118 7.215 -5.468 1.00 0.00 C ATOM 861 O GLY A 57 -7.943 8.002 -5.004 1.00 0.00 O ATOM 0 H GLY A 57 -5.549 5.548 -7.206 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.059 7.322 -7.605 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.381 6.362 -6.971 1.00 0.00 H new ATOM 865 N GLY A 58 -6.015 6.856 -4.818 1.00 0.00 N ATOM 866 CA GLY A 58 -5.724 7.389 -3.501 1.00 0.00 C ATOM 867 C GLY A 58 -6.442 6.635 -2.399 1.00 0.00 C ATOM 868 O GLY A 58 -7.340 5.838 -2.666 1.00 0.00 O ATOM 0 H GLY A 58 -5.318 6.205 -5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.649 7.347 -3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.012 8.440 -3.466 1.00 0.00 H new ATOM 872 N LEU A 59 -6.043 6.888 -1.157 1.00 0.00 N ATOM 873 CA LEU A 59 -6.652 6.229 -0.007 1.00 0.00 C ATOM 874 C LEU A 59 -8.175 6.309 -0.070 1.00 0.00 C ATOM 875 O LEU A 59 -8.871 5.366 0.307 1.00 0.00 O ATOM 876 CB LEU A 59 -6.148 6.867 1.291 1.00 0.00 C ATOM 877 CG LEU A 59 -6.916 6.467 2.553 1.00 0.00 C ATOM 878 CD1 LEU A 59 -6.669 5.005 2.886 1.00 0.00 C ATOM 879 CD2 LEU A 59 -6.523 7.356 3.721 1.00 0.00 C ATOM 0 H LEU A 59 -5.300 7.545 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.365 5.178 -0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.099 6.603 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.193 7.951 1.186 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.981 6.600 2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.223 4.738 3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.003 4.382 2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.604 4.845 3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.079 7.057 4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.454 7.256 3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.753 8.394 3.482 1.00 0.00 H new ATOM 891 N GLU A 60 -8.685 7.442 -0.540 1.00 0.00 N ATOM 892 CA GLU A 60 -10.125 7.648 -0.642 1.00 0.00 C ATOM 893 C GLU A 60 -10.748 6.696 -1.658 1.00 0.00 C ATOM 894 O GLU A 60 -11.884 6.253 -1.491 1.00 0.00 O ATOM 895 CB GLU A 60 -10.426 9.096 -1.031 1.00 0.00 C ATOM 896 CG GLU A 60 -9.928 10.114 -0.018 1.00 0.00 C ATOM 897 CD GLU A 60 -9.913 11.527 -0.567 1.00 0.00 C ATOM 898 OE1 GLU A 60 -9.093 11.805 -1.468 1.00 0.00 O ATOM 899 OE2 GLU A 60 -10.718 12.357 -0.095 1.00 0.00 O ATOM 0 H GLU A 60 -8.123 8.232 -0.856 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.564 7.440 0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.970 9.306 -1.999 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.503 9.214 -1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.563 10.079 0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.922 9.842 0.300 1.00 0.00 H new ATOM 906 N ALA A 61 -10.002 6.390 -2.714 1.00 0.00 N ATOM 907 CA ALA A 61 -10.491 5.498 -3.759 1.00 0.00 C ATOM 908 C ALA A 61 -10.521 4.049 -3.284 1.00 0.00 C ATOM 909 O ALA A 61 -11.412 3.284 -3.655 1.00 0.00 O ATOM 910 CB ALA A 61 -9.635 5.628 -5.008 1.00 0.00 C ATOM 0 H ALA A 61 -9.059 6.746 -2.869 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.513 5.792 -3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.012 4.956 -5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.674 6.655 -5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.604 5.366 -4.771 1.00 0.00 H new ATOM 916 N VAL A 62 -9.545 3.675 -2.462 1.00 0.00 N ATOM 917 CA VAL A 62 -9.465 2.314 -1.946 1.00 0.00 C ATOM 918 C VAL A 62 -10.646 2.011 -1.033 1.00 0.00 C ATOM 919 O VAL A 62 -11.374 1.041 -1.243 1.00 0.00 O ATOM 920 CB VAL A 62 -8.152 2.076 -1.181 1.00 0.00 C ATOM 921 CG1 VAL A 62 -8.050 0.627 -0.729 1.00 0.00 C ATOM 922 CG2 VAL A 62 -6.966 2.458 -2.053 1.00 0.00 C ATOM 0 H VAL A 62 -8.801 4.294 -2.140 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.492 1.643 -2.805 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.144 2.705 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.114 0.479 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.888 0.391 -0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.075 -0.028 -1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.040 2.286 -1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.969 1.850 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.038 3.512 -2.323 1.00 0.00 H new ATOM 932 N ARG A 63 -10.836 2.847 -0.021 1.00 0.00 N ATOM 933 CA ARG A 63 -11.959 2.685 0.891 1.00 0.00 C ATOM 934 C ARG A 63 -13.266 2.616 0.106 1.00 0.00 C ATOM 935 O ARG A 63 -14.107 1.750 0.347 1.00 0.00 O ATOM 936 CB ARG A 63 -12.008 3.844 1.890 1.00 0.00 C ATOM 937 CG ARG A 63 -10.706 4.055 2.648 1.00 0.00 C ATOM 938 CD ARG A 63 -10.602 5.472 3.190 1.00 0.00 C ATOM 939 NE ARG A 63 -11.135 5.580 4.545 1.00 0.00 N ATOM 940 CZ ARG A 63 -11.356 6.739 5.159 1.00 0.00 C ATOM 941 NH1 ARG A 63 -11.089 7.880 4.539 1.00 0.00 N ATOM 942 NH2 ARG A 63 -11.843 6.756 6.392 1.00 0.00 N ATOM 0 H ARG A 63 -10.230 3.640 0.188 1.00 0.00 H new ATOM 0 HA ARG A 63 -11.827 1.754 1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -12.260 4.761 1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.809 3.661 2.606 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.643 3.344 3.471 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.862 3.854 1.988 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.558 5.786 3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.143 6.152 2.532 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.350 4.719 5.048 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.714 7.869 3.591 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.259 8.768 5.010 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.049 5.879 6.871 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.012 7.646 6.861 1.00 0.00 H new ATOM 956 N GLN A 64 -13.421 3.541 -0.836 1.00 0.00 N ATOM 957 CA GLN A 64 -14.617 3.608 -1.670 1.00 0.00 C ATOM 958 C GLN A 64 -14.779 2.358 -2.531 1.00 0.00 C ATOM 959 O GLN A 64 -15.859 1.767 -2.581 1.00 0.00 O ATOM 960 CB GLN A 64 -14.563 4.847 -2.567 1.00 0.00 C ATOM 961 CG GLN A 64 -14.762 6.153 -1.816 1.00 0.00 C ATOM 962 CD GLN A 64 -14.330 7.361 -2.624 1.00 0.00 C ATOM 963 OE1 GLN A 64 -14.698 7.506 -3.790 1.00 0.00 O ATOM 964 NE2 GLN A 64 -13.545 8.235 -2.007 1.00 0.00 N ATOM 0 H GLN A 64 -12.728 4.260 -1.042 1.00 0.00 H new ATOM 0 HA GLN A 64 -15.478 3.672 -1.004 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -13.600 4.874 -3.077 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.329 4.761 -3.338 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -15.813 6.257 -1.547 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.197 6.122 -0.885 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -13.265 8.074 -1.040 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.222 9.067 -2.500 1.00 0.00 H new ATOM 973 N GLU A 65 -13.715 1.975 -3.234 1.00 0.00 N ATOM 974 CA GLU A 65 -13.769 0.818 -4.124 1.00 0.00 C ATOM 975 C GLU A 65 -13.887 -0.483 -3.336 1.00 0.00 C ATOM 976 O GLU A 65 -14.592 -1.405 -3.749 1.00 0.00 O ATOM 977 CB GLU A 65 -12.533 0.777 -5.028 1.00 0.00 C ATOM 978 CG GLU A 65 -11.263 0.364 -4.306 1.00 0.00 C ATOM 979 CD GLU A 65 -10.017 0.598 -5.138 1.00 0.00 C ATOM 980 OE1 GLU A 65 -9.858 1.717 -5.668 1.00 0.00 O ATOM 981 OE2 GLU A 65 -9.199 -0.338 -5.257 1.00 0.00 O ATOM 0 H GLU A 65 -12.811 2.446 -3.205 1.00 0.00 H new ATOM 0 HA GLU A 65 -14.659 0.920 -4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.716 0.083 -5.848 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.385 1.762 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.182 0.921 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.326 -0.692 -4.042 1.00 0.00 H new ATOM 988 N MET A 66 -13.203 -0.554 -2.200 1.00 0.00 N ATOM 989 CA MET A 66 -13.256 -1.743 -1.356 1.00 0.00 C ATOM 990 C MET A 66 -14.693 -2.041 -0.947 1.00 0.00 C ATOM 991 O MET A 66 -15.076 -3.199 -0.774 1.00 0.00 O ATOM 992 CB MET A 66 -12.388 -1.555 -0.110 1.00 0.00 C ATOM 993 CG MET A 66 -11.030 -2.231 -0.207 1.00 0.00 C ATOM 994 SD MET A 66 -11.157 -4.004 -0.505 1.00 0.00 S ATOM 995 CE MET A 66 -10.002 -4.636 0.709 1.00 0.00 C ATOM 0 H MET A 66 -12.608 0.193 -1.843 1.00 0.00 H new ATOM 0 HA MET A 66 -12.870 -2.586 -1.929 1.00 0.00 H new ATOM 0 HB2 MET A 66 -12.242 -0.489 0.064 1.00 0.00 H new ATOM 0 HB3 MET A 66 -12.920 -1.949 0.756 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.456 -1.771 -1.012 1.00 0.00 H new ATOM 0 HG3 MET A 66 -10.477 -2.060 0.717 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.656 -5.623 0.403 1.00 0.00 H new ATOM 0 HE2 MET A 66 -9.150 -3.961 0.786 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.496 -4.709 1.678 1.00 0.00 H new ATOM 1005 N ARG A 67 -15.483 -0.985 -0.792 1.00 0.00 N ATOM 1006 CA ARG A 67 -16.881 -1.120 -0.405 1.00 0.00 C ATOM 1007 C ARG A 67 -17.740 -1.543 -1.592 1.00 0.00 C ATOM 1008 O ARG A 67 -18.627 -2.387 -1.460 1.00 0.00 O ATOM 1009 CB ARG A 67 -17.397 0.201 0.164 1.00 0.00 C ATOM 1010 CG ARG A 67 -16.747 0.586 1.482 1.00 0.00 C ATOM 1011 CD ARG A 67 -17.536 0.050 2.663 1.00 0.00 C ATOM 1012 NE ARG A 67 -17.048 -1.255 3.101 1.00 0.00 N ATOM 1013 CZ ARG A 67 -17.766 -2.102 3.831 1.00 0.00 C ATOM 1014 NH1 ARG A 67 -18.998 -1.781 4.203 1.00 0.00 N ATOM 1015 NH2 ARG A 67 -17.254 -3.270 4.190 1.00 0.00 N ATOM 0 H ARG A 67 -15.177 -0.022 -0.929 1.00 0.00 H new ATOM 0 HA ARG A 67 -16.948 -1.894 0.360 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -17.223 0.994 -0.563 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -18.475 0.130 0.306 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -15.729 0.197 1.515 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -16.676 1.671 1.552 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -17.474 0.756 3.491 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -18.588 -0.030 2.390 1.00 0.00 H new ATOM 0 HE ARG A 67 -16.104 -1.532 2.832 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -19.396 -0.883 3.929 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -19.548 -2.432 4.763 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -16.307 -3.521 3.906 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -17.807 -3.919 4.750 1.00 0.00 H new ATOM 1029 N ARG A 68 -17.472 -0.951 -2.752 1.00 0.00 N ATOM 1030 CA ARG A 68 -18.226 -1.262 -3.961 1.00 0.00 C ATOM 1031 C ARG A 68 -17.886 -2.658 -4.471 1.00 0.00 C ATOM 1032 O ARG A 68 -18.698 -3.302 -5.135 1.00 0.00 O ATOM 1033 CB ARG A 68 -17.934 -0.227 -5.049 1.00 0.00 C ATOM 1034 CG ARG A 68 -18.814 1.009 -4.965 1.00 0.00 C ATOM 1035 CD ARG A 68 -17.984 2.281 -4.902 1.00 0.00 C ATOM 1036 NE ARG A 68 -17.788 2.873 -6.222 1.00 0.00 N ATOM 1037 CZ ARG A 68 -17.451 4.144 -6.416 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -17.273 4.951 -5.379 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -17.292 4.610 -7.648 1.00 0.00 N ATOM 0 H ARG A 68 -16.739 -0.254 -2.880 1.00 0.00 H new ATOM 0 HA ARG A 68 -19.287 -1.233 -3.714 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -16.889 0.076 -4.980 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -18.067 -0.692 -6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -19.474 1.047 -5.832 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -19.450 0.945 -4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -18.476 3.003 -4.251 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -17.014 2.059 -4.457 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.917 2.278 -7.041 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -17.395 4.597 -4.430 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.014 5.926 -5.530 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -17.428 3.993 -8.448 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.033 5.586 -7.795 1.00 0.00 H new ATOM 1053 N GLN A 69 -16.682 -3.120 -4.155 1.00 0.00 N ATOM 1054 CA GLN A 69 -16.237 -4.443 -4.578 1.00 0.00 C ATOM 1055 C GLN A 69 -16.902 -5.537 -3.749 1.00 0.00 C ATOM 1056 O GLN A 69 -16.989 -6.688 -4.177 1.00 0.00 O ATOM 1057 CB GLN A 69 -14.716 -4.553 -4.466 1.00 0.00 C ATOM 1058 CG GLN A 69 -13.971 -3.825 -5.573 1.00 0.00 C ATOM 1059 CD GLN A 69 -12.481 -4.100 -5.554 1.00 0.00 C ATOM 1060 OE1 GLN A 69 -11.980 -4.811 -4.683 1.00 0.00 O ATOM 1061 NE2 GLN A 69 -11.763 -3.537 -6.519 1.00 0.00 N ATOM 0 H GLN A 69 -15.997 -2.599 -3.608 1.00 0.00 H new ATOM 0 HA GLN A 69 -16.528 -4.578 -5.620 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -14.401 -4.152 -3.503 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -14.434 -5.606 -4.481 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.379 -4.125 -6.538 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.140 -2.753 -5.475 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.220 -2.955 -7.221 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.755 -3.687 -6.558 1.00 0.00 H new ATOM 1070 N GLY A 70 -17.376 -5.170 -2.563 1.00 0.00 N ATOM 1071 CA GLY A 70 -18.033 -6.129 -1.696 1.00 0.00 C ATOM 1072 C GLY A 70 -19.327 -5.592 -1.117 1.00 0.00 C ATOM 1073 O GLY A 70 -19.317 -4.885 -0.109 1.00 0.00 O ATOM 0 H GLY A 70 -17.316 -4.224 -2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.240 -7.040 -2.257 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.360 -6.401 -0.883 1.00 0.00 H new ATOM 1077 N GLY A 71 -20.444 -5.925 -1.757 1.00 0.00 N ATOM 1078 CA GLY A 71 -21.738 -5.459 -1.289 1.00 0.00 C ATOM 1079 C GLY A 71 -21.929 -5.668 0.201 1.00 0.00 C ATOM 1080 O GLY A 71 -21.535 -6.700 0.746 1.00 0.00 O ATOM 0 H GLY A 71 -20.476 -6.510 -2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -21.844 -4.399 -1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -22.526 -5.983 -1.830 1.00 0.00 H new ATOM 1084 N SER A 72 -22.531 -4.685 0.863 1.00 0.00 N ATOM 1085 CA SER A 72 -22.772 -4.764 2.298 1.00 0.00 C ATOM 1086 C SER A 72 -21.481 -5.071 3.051 1.00 0.00 C ATOM 1087 O SER A 72 -20.414 -5.191 2.450 1.00 0.00 O ATOM 1088 CB SER A 72 -23.821 -5.836 2.602 1.00 0.00 C ATOM 1089 OG SER A 72 -24.835 -5.332 3.453 1.00 0.00 O ATOM 0 H SER A 72 -22.861 -3.824 0.427 1.00 0.00 H new ATOM 0 HA SER A 72 -23.145 -3.796 2.632 1.00 0.00 H new ATOM 0 HB2 SER A 72 -24.265 -6.188 1.671 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.342 -6.695 3.072 1.00 0.00 H new ATOM 0 HG SER A 72 -25.493 -6.036 3.630 1.00 0.00 H new ATOM 1095 N GLY A 73 -21.588 -5.196 4.370 1.00 0.00 N ATOM 1096 CA GLY A 73 -20.422 -5.487 5.184 1.00 0.00 C ATOM 1097 C GLY A 73 -20.285 -6.964 5.495 1.00 0.00 C ATOM 1098 O GLY A 73 -21.262 -7.623 5.854 1.00 0.00 O ATOM 0 H GLY A 73 -22.461 -5.101 4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -19.527 -5.144 4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -20.485 -4.927 6.117 1.00 0.00 H new ATOM 1102 N GLY A 74 -19.070 -7.485 5.359 1.00 0.00 N ATOM 1103 CA GLY A 74 -18.831 -8.890 5.631 1.00 0.00 C ATOM 1104 C GLY A 74 -18.635 -9.698 4.364 1.00 0.00 C ATOM 1105 O GLY A 74 -18.017 -10.763 4.388 1.00 0.00 O ATOM 0 H GLY A 74 -18.247 -6.959 5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -17.948 -8.990 6.263 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -19.672 -9.297 6.192 1.00 0.00 H new ATOM 1109 N SER A 75 -19.162 -9.191 3.255 1.00 0.00 N ATOM 1110 CA SER A 75 -19.044 -9.870 1.971 1.00 0.00 C ATOM 1111 C SER A 75 -18.027 -9.170 1.077 1.00 0.00 C ATOM 1112 O SER A 75 -18.307 -8.873 -0.084 1.00 0.00 O ATOM 1113 CB SER A 75 -20.404 -9.923 1.273 1.00 0.00 C ATOM 1114 OG SER A 75 -21.066 -11.148 1.535 1.00 0.00 O ATOM 0 H SER A 75 -19.676 -8.311 3.220 1.00 0.00 H new ATOM 0 HA SER A 75 -18.698 -10.887 2.156 1.00 0.00 H new ATOM 0 HB2 SER A 75 -21.023 -9.092 1.612 1.00 0.00 H new ATOM 0 HB3 SER A 75 -20.269 -9.802 0.198 1.00 0.00 H new ATOM 0 HG SER A 75 -21.933 -11.155 1.079 1.00 0.00 H new ATOM 1120 N GLN A 76 -16.844 -8.908 1.625 1.00 0.00 N ATOM 1121 CA GLN A 76 -15.785 -8.242 0.874 1.00 0.00 C ATOM 1122 C GLN A 76 -15.152 -9.196 -0.132 1.00 0.00 C ATOM 1123 O GLN A 76 -14.935 -10.371 0.162 1.00 0.00 O ATOM 1124 CB GLN A 76 -14.716 -7.702 1.826 1.00 0.00 C ATOM 1125 CG GLN A 76 -14.132 -8.759 2.748 1.00 0.00 C ATOM 1126 CD GLN A 76 -14.141 -8.333 4.203 1.00 0.00 C ATOM 1127 OE1 GLN A 76 -14.962 -7.514 4.617 1.00 0.00 O ATOM 1128 NE2 GLN A 76 -13.224 -8.887 4.988 1.00 0.00 N ATOM 0 H GLN A 76 -16.595 -9.146 2.585 1.00 0.00 H new ATOM 0 HA GLN A 76 -16.229 -7.409 0.329 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.911 -7.258 1.240 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -15.149 -6.904 2.430 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -14.700 -9.683 2.640 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.108 -8.976 2.443 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.563 -9.561 4.603 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -13.181 -8.638 5.976 1.00 0.00 H new ATOM 1137 N SER A 77 -14.859 -8.682 -1.322 1.00 0.00 N ATOM 1138 CA SER A 77 -14.260 -9.492 -2.376 1.00 0.00 C ATOM 1139 C SER A 77 -12.842 -9.026 -2.689 1.00 0.00 C ATOM 1140 O SER A 77 -12.640 -7.950 -3.251 1.00 0.00 O ATOM 1141 CB SER A 77 -15.118 -9.432 -3.641 1.00 0.00 C ATOM 1142 OG SER A 77 -16.409 -8.919 -3.358 1.00 0.00 O ATOM 0 H SER A 77 -15.026 -7.710 -1.580 1.00 0.00 H new ATOM 0 HA SER A 77 -14.212 -10.522 -2.022 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.629 -8.804 -4.386 1.00 0.00 H new ATOM 0 HB3 SER A 77 -15.206 -10.429 -4.072 1.00 0.00 H new ATOM 0 HG SER A 77 -16.625 -8.207 -3.995 1.00 0.00 H new ATOM 1148 N SER A 78 -11.862 -9.848 -2.326 1.00 0.00 N ATOM 1149 CA SER A 78 -10.461 -9.530 -2.578 1.00 0.00 C ATOM 1150 C SER A 78 -10.152 -9.525 -4.076 1.00 0.00 C ATOM 1151 O SER A 78 -9.110 -9.023 -4.500 1.00 0.00 O ATOM 1152 CB SER A 78 -9.557 -10.539 -1.867 1.00 0.00 C ATOM 1153 OG SER A 78 -10.143 -11.829 -1.852 1.00 0.00 O ATOM 0 H SER A 78 -12.013 -10.740 -1.856 1.00 0.00 H new ATOM 0 HA SER A 78 -10.269 -8.531 -2.187 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.590 -10.582 -2.368 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.372 -10.209 -0.845 1.00 0.00 H new ATOM 0 HG SER A 78 -9.544 -12.455 -1.394 1.00 0.00 H new ATOM 1159 N GLU A 79 -11.080 -10.041 -4.881 1.00 0.00 N ATOM 1160 CA GLU A 79 -10.878 -10.109 -6.322 1.00 0.00 C ATOM 1161 C GLU A 79 -10.951 -8.721 -6.942 1.00 0.00 C ATOM 1162 O GLU A 79 -12.033 -8.209 -7.231 1.00 0.00 O ATOM 1163 CB GLU A 79 -11.927 -11.020 -6.961 1.00 0.00 C ATOM 1164 CG GLU A 79 -13.341 -10.752 -6.474 1.00 0.00 C ATOM 1165 CD GLU A 79 -13.928 -11.924 -5.712 1.00 0.00 C ATOM 1166 OE1 GLU A 79 -13.179 -12.573 -4.951 1.00 0.00 O ATOM 1167 OE2 GLU A 79 -15.137 -12.192 -5.874 1.00 0.00 O ATOM 0 H GLU A 79 -11.973 -10.415 -4.559 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.886 -10.521 -6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.894 -10.895 -8.043 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.670 -12.059 -6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.339 -9.871 -5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.978 -10.523 -7.328 1.00 0.00 H new ATOM 1174 N GLY A 80 -9.786 -8.117 -7.134 1.00 0.00 N ATOM 1175 CA GLY A 80 -9.718 -6.788 -7.706 1.00 0.00 C ATOM 1176 C GLY A 80 -8.429 -6.079 -7.343 1.00 0.00 C ATOM 1177 O GLY A 80 -7.380 -6.344 -7.929 1.00 0.00 O ATOM 0 H GLY A 80 -8.882 -8.528 -6.902 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.802 -6.855 -8.791 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.566 -6.199 -7.357 1.00 0.00 H new ATOM 1181 N LEU A 81 -8.507 -5.176 -6.372 1.00 0.00 N ATOM 1182 CA LEU A 81 -7.336 -4.434 -5.925 1.00 0.00 C ATOM 1183 C LEU A 81 -6.306 -5.358 -5.280 1.00 0.00 C ATOM 1184 O LEU A 81 -5.102 -5.122 -5.384 1.00 0.00 O ATOM 1185 CB LEU A 81 -7.743 -3.336 -4.941 1.00 0.00 C ATOM 1186 CG LEU A 81 -8.606 -3.802 -3.768 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -7.830 -3.698 -2.465 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -9.888 -2.988 -3.693 1.00 0.00 C ATOM 0 H LEU A 81 -9.369 -4.941 -5.880 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.879 -3.975 -6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.840 -2.872 -4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.285 -2.564 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.872 -4.847 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.458 -4.033 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.939 -4.324 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.535 -2.662 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.490 -3.334 -2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.643 -1.935 -3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.452 -3.111 -4.618 1.00 0.00 H new ATOM 1200 N VAL A 82 -6.779 -6.398 -4.593 1.00 0.00 N ATOM 1201 CA VAL A 82 -5.880 -7.338 -3.931 1.00 0.00 C ATOM 1202 C VAL A 82 -5.028 -8.087 -4.946 1.00 0.00 C ATOM 1203 O VAL A 82 -3.879 -8.433 -4.672 1.00 0.00 O ATOM 1204 CB VAL A 82 -6.647 -8.355 -3.068 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -5.694 -9.084 -2.134 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -7.753 -7.665 -2.283 1.00 0.00 C ATOM 0 H VAL A 82 -7.771 -6.608 -4.482 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.235 -6.747 -3.281 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.108 -9.090 -3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.252 -9.800 -1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.943 -9.612 -2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.203 -8.363 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.284 -8.401 -1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.318 -6.907 -1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.450 -7.193 -2.975 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.594 -8.330 -6.122 1.00 0.00 N ATOM 1217 CA GLY A 83 -4.863 -9.026 -7.161 1.00 0.00 C ATOM 1218 C GLY A 83 -3.739 -8.183 -7.727 1.00 0.00 C ATOM 1219 O GLY A 83 -2.627 -8.672 -7.929 1.00 0.00 O ATOM 0 H GLY A 83 -6.544 -8.058 -6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.454 -9.952 -6.758 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.548 -9.303 -7.963 1.00 0.00 H new ATOM 1223 N ALA A 84 -4.028 -6.911 -7.978 1.00 0.00 N ATOM 1224 CA ALA A 84 -3.030 -5.991 -8.508 1.00 0.00 C ATOM 1225 C ALA A 84 -1.909 -5.769 -7.499 1.00 0.00 C ATOM 1226 O ALA A 84 -0.730 -5.851 -7.839 1.00 0.00 O ATOM 1227 CB ALA A 84 -3.677 -4.669 -8.888 1.00 0.00 C ATOM 0 H ALA A 84 -4.946 -6.494 -7.823 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.596 -6.435 -9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.918 -3.993 -9.282 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.439 -4.842 -9.648 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.138 -4.223 -8.007 1.00 0.00 H new ATOM 1233 N LEU A 85 -2.284 -5.493 -6.254 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.305 -5.279 -5.195 1.00 0.00 C ATOM 1235 C LEU A 85 -0.352 -6.464 -5.108 1.00 0.00 C ATOM 1236 O LEU A 85 0.864 -6.292 -5.035 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.007 -5.071 -3.851 1.00 0.00 C ATOM 1238 CG LEU A 85 -1.081 -5.051 -2.632 1.00 0.00 C ATOM 1239 CD1 LEU A 85 0.106 -4.131 -2.874 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -1.847 -4.621 -1.390 1.00 0.00 C ATOM 0 H LEU A 85 -3.256 -5.413 -5.955 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.732 -4.383 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.556 -4.130 -3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.743 -5.864 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.702 -6.060 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.751 -4.131 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.669 -4.483 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.251 -3.118 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.174 -4.612 -0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.255 -3.622 -1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.662 -5.321 -1.205 1.00 0.00 H new ATOM 1252 N MET A 86 -0.913 -7.670 -5.136 1.00 0.00 N ATOM 1253 CA MET A 86 -0.110 -8.883 -5.087 1.00 0.00 C ATOM 1254 C MET A 86 0.950 -8.859 -6.181 1.00 0.00 C ATOM 1255 O MET A 86 2.069 -9.334 -5.988 1.00 0.00 O ATOM 1256 CB MET A 86 -0.998 -10.120 -5.243 1.00 0.00 C ATOM 1257 CG MET A 86 -1.678 -10.544 -3.952 1.00 0.00 C ATOM 1258 SD MET A 86 -1.403 -12.283 -3.560 1.00 0.00 S ATOM 1259 CE MET A 86 -2.696 -13.057 -4.526 1.00 0.00 C ATOM 0 H MET A 86 -1.919 -7.831 -5.192 1.00 0.00 H new ATOM 0 HA MET A 86 0.385 -8.930 -4.117 1.00 0.00 H new ATOM 0 HB2 MET A 86 -1.760 -9.918 -5.996 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.393 -10.947 -5.615 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.309 -9.928 -3.132 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.749 -10.359 -4.032 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.656 -14.137 -4.388 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.667 -12.685 -4.199 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.554 -12.820 -5.580 1.00 0.00 H new ATOM 1269 N HIS A 87 0.592 -8.288 -7.328 1.00 0.00 N ATOM 1270 CA HIS A 87 1.520 -8.173 -8.445 1.00 0.00 C ATOM 1271 C HIS A 87 2.629 -7.184 -8.107 1.00 0.00 C ATOM 1272 O HIS A 87 3.769 -7.339 -8.545 1.00 0.00 O ATOM 1273 CB HIS A 87 0.783 -7.727 -9.710 1.00 0.00 C ATOM 1274 CG HIS A 87 1.681 -7.553 -10.896 1.00 0.00 C ATOM 1275 ND1 HIS A 87 2.858 -8.254 -11.059 1.00 0.00 N ATOM 1276 CD2 HIS A 87 1.570 -6.750 -11.982 1.00 0.00 C ATOM 1277 CE1 HIS A 87 3.431 -7.891 -12.193 1.00 0.00 C ATOM 1278 NE2 HIS A 87 2.670 -6.980 -12.770 1.00 0.00 N ATOM 0 H HIS A 87 -0.334 -7.899 -7.507 1.00 0.00 H new ATOM 0 HA HIS A 87 1.964 -9.151 -8.629 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.015 -8.462 -9.951 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.272 -6.785 -9.510 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.766 -6.059 -12.189 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.363 -8.274 -12.581 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.868 -6.521 -13.659 1.00 0.00 H new ATOM 1287 N VAL A 88 2.287 -6.175 -7.310 1.00 0.00 N ATOM 1288 CA VAL A 88 3.256 -5.173 -6.887 1.00 0.00 C ATOM 1289 C VAL A 88 4.267 -5.780 -5.922 1.00 0.00 C ATOM 1290 O VAL A 88 5.466 -5.518 -6.016 1.00 0.00 O ATOM 1291 CB VAL A 88 2.571 -3.972 -6.208 1.00 0.00 C ATOM 1292 CG1 VAL A 88 3.604 -2.939 -5.786 1.00 0.00 C ATOM 1293 CG2 VAL A 88 1.532 -3.355 -7.131 1.00 0.00 C ATOM 0 H VAL A 88 1.345 -6.031 -6.945 1.00 0.00 H new ATOM 0 HA VAL A 88 3.767 -4.822 -7.784 1.00 0.00 H new ATOM 0 HB VAL A 88 2.059 -4.327 -5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.103 -2.097 -5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.304 -3.391 -5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.146 -2.587 -6.664 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.060 -2.508 -6.633 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.015 -3.014 -8.046 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.775 -4.100 -7.376 1.00 0.00 H new ATOM 1303 N MET A 89 3.776 -6.599 -4.998 1.00 0.00 N ATOM 1304 CA MET A 89 4.644 -7.265 -4.037 1.00 0.00 C ATOM 1305 C MET A 89 5.614 -8.188 -4.760 1.00 0.00 C ATOM 1306 O MET A 89 6.789 -8.280 -4.403 1.00 0.00 O ATOM 1307 CB MET A 89 3.815 -8.062 -3.028 1.00 0.00 C ATOM 1308 CG MET A 89 3.056 -7.190 -2.044 1.00 0.00 C ATOM 1309 SD MET A 89 4.059 -6.713 -0.625 1.00 0.00 S ATOM 1310 CE MET A 89 3.871 -4.934 -0.665 1.00 0.00 C ATOM 0 H MET A 89 2.785 -6.816 -4.895 1.00 0.00 H new ATOM 0 HA MET A 89 5.211 -6.506 -3.498 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.105 -8.689 -3.568 1.00 0.00 H new ATOM 0 HB3 MET A 89 4.475 -8.730 -2.475 1.00 0.00 H new ATOM 0 HG2 MET A 89 2.705 -6.293 -2.554 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.172 -7.725 -1.696 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.814 -4.475 -0.961 1.00 0.00 H new ATOM 0 HE2 MET A 89 3.096 -4.666 -1.383 1.00 0.00 H new ATOM 0 HE3 MET A 89 3.588 -4.576 0.325 1.00 0.00 H new ATOM 1320 N GLN A 90 5.116 -8.854 -5.797 1.00 0.00 N ATOM 1321 CA GLN A 90 5.934 -9.752 -6.595 1.00 0.00 C ATOM 1322 C GLN A 90 7.179 -9.044 -7.119 1.00 0.00 C ATOM 1323 O GLN A 90 8.180 -9.683 -7.441 1.00 0.00 O ATOM 1324 CB GLN A 90 5.116 -10.306 -7.735 1.00 0.00 C ATOM 1325 CG GLN A 90 4.215 -11.425 -7.276 1.00 0.00 C ATOM 1326 CD GLN A 90 4.986 -12.604 -6.713 1.00 0.00 C ATOM 1327 OE1 GLN A 90 6.216 -12.631 -6.751 1.00 0.00 O ATOM 1328 NE2 GLN A 90 4.264 -13.587 -6.185 1.00 0.00 N ATOM 0 H GLN A 90 4.145 -8.786 -6.103 1.00 0.00 H new ATOM 0 HA GLN A 90 6.266 -10.575 -5.962 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.514 -9.510 -8.173 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.781 -10.671 -8.518 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.531 -11.047 -6.516 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.605 -11.762 -8.114 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.246 -13.523 -6.175 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.728 -14.405 -5.790 1.00 0.00 H new ATOM 1337 N LYS A 91 7.114 -7.716 -7.182 1.00 0.00 N ATOM 1338 CA LYS A 91 8.234 -6.914 -7.653 1.00 0.00 C ATOM 1339 C LYS A 91 9.372 -6.939 -6.639 1.00 0.00 C ATOM 1340 O LYS A 91 10.538 -7.091 -7.002 1.00 0.00 O ATOM 1341 CB LYS A 91 7.781 -5.477 -7.896 1.00 0.00 C ATOM 1342 CG LYS A 91 8.163 -4.934 -9.262 1.00 0.00 C ATOM 1343 CD LYS A 91 7.239 -5.461 -10.348 1.00 0.00 C ATOM 1344 CE LYS A 91 7.272 -4.577 -11.584 1.00 0.00 C ATOM 1345 NZ LYS A 91 6.340 -5.060 -12.639 1.00 0.00 N ATOM 0 H LYS A 91 6.294 -7.174 -6.911 1.00 0.00 H new ATOM 0 HA LYS A 91 8.595 -7.337 -8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.698 -5.424 -7.785 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.212 -4.836 -7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.124 -3.845 -9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.192 -5.212 -9.491 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.533 -6.476 -10.617 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.220 -5.516 -9.965 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.009 -3.556 -11.307 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.286 -4.548 -11.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.393 -4.430 -13.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.606 -6.025 -12.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.368 -5.064 -12.268 1.00 0.00 H new ATOM 1359 N ARG A 92 9.021 -6.801 -5.364 1.00 0.00 N ATOM 1360 CA ARG A 92 10.007 -6.830 -4.292 1.00 0.00 C ATOM 1361 C ARG A 92 10.487 -8.255 -4.044 1.00 0.00 C ATOM 1362 O ARG A 92 11.633 -8.479 -3.652 1.00 0.00 O ATOM 1363 CB ARG A 92 9.413 -6.255 -3.007 1.00 0.00 C ATOM 1364 CG ARG A 92 9.066 -4.781 -3.108 1.00 0.00 C ATOM 1365 CD ARG A 92 10.313 -3.910 -3.166 1.00 0.00 C ATOM 1366 NE ARG A 92 11.415 -4.463 -2.380 1.00 0.00 N ATOM 1367 CZ ARG A 92 11.417 -4.516 -1.052 1.00 0.00 C ATOM 1368 NH1 ARG A 92 10.382 -4.053 -0.365 1.00 0.00 N ATOM 1369 NH2 ARG A 92 12.455 -5.035 -0.409 1.00 0.00 N ATOM 0 H ARG A 92 8.060 -6.668 -5.049 1.00 0.00 H new ATOM 0 HA ARG A 92 10.857 -6.220 -4.595 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.514 -6.815 -2.749 1.00 0.00 H new ATOM 0 HB3 ARG A 92 10.123 -6.398 -2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 92 8.461 -4.610 -3.999 1.00 0.00 H new ATOM 0 HG3 ARG A 92 8.459 -4.491 -2.250 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.629 -3.801 -4.203 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.073 -2.912 -2.799 1.00 0.00 H new ATOM 0 HE ARG A 92 12.227 -4.828 -2.878 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.581 -3.655 -0.856 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.386 -4.095 0.654 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.253 -5.394 -0.934 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.455 -5.075 0.610 1.00 0.00 H new ATOM 1383 N SER A 93 9.596 -9.216 -4.271 1.00 0.00 N ATOM 1384 CA SER A 93 9.915 -10.625 -4.069 1.00 0.00 C ATOM 1385 C SER A 93 10.763 -11.165 -5.213 1.00 0.00 C ATOM 1386 O SER A 93 11.579 -12.067 -5.023 1.00 0.00 O ATOM 1387 CB SER A 93 8.628 -11.444 -3.945 1.00 0.00 C ATOM 1388 OG SER A 93 7.983 -11.199 -2.708 1.00 0.00 O ATOM 0 H SER A 93 8.645 -9.043 -4.596 1.00 0.00 H new ATOM 0 HA SER A 93 10.489 -10.712 -3.146 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.955 -11.195 -4.765 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.859 -12.505 -4.034 1.00 0.00 H new ATOM 0 HG SER A 93 7.163 -11.733 -2.655 1.00 0.00 H new ATOM 1394 N ARG A 94 10.563 -10.609 -6.401 1.00 0.00 N ATOM 1395 CA ARG A 94 11.303 -11.041 -7.579 1.00 0.00 C ATOM 1396 C ARG A 94 12.370 -10.024 -7.983 1.00 0.00 C ATOM 1397 O ARG A 94 13.029 -10.184 -9.011 1.00 0.00 O ATOM 1398 CB ARG A 94 10.338 -11.273 -8.739 1.00 0.00 C ATOM 1399 CG ARG A 94 9.342 -12.386 -8.469 1.00 0.00 C ATOM 1400 CD ARG A 94 10.018 -13.746 -8.488 1.00 0.00 C ATOM 1401 NE ARG A 94 9.197 -14.777 -7.860 1.00 0.00 N ATOM 1402 CZ ARG A 94 9.520 -16.066 -7.843 1.00 0.00 C ATOM 1403 NH1 ARG A 94 10.642 -16.478 -8.418 1.00 0.00 N ATOM 1404 NH2 ARG A 94 8.722 -16.945 -7.252 1.00 0.00 N ATOM 0 H ARG A 94 9.895 -9.858 -6.574 1.00 0.00 H new ATOM 0 HA ARG A 94 11.811 -11.973 -7.331 1.00 0.00 H new ATOM 0 HB2 ARG A 94 9.796 -10.350 -8.944 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.908 -11.513 -9.636 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.868 -12.226 -7.500 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.551 -12.360 -9.219 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.230 -14.030 -9.519 1.00 0.00 H new ATOM 0 HD3 ARG A 94 10.976 -13.681 -7.971 1.00 0.00 H new ATOM 0 HE ARG A 94 8.327 -14.492 -7.409 1.00 0.00 H new ATOM 0 HH11 ARG A 94 11.258 -15.805 -8.874 1.00 0.00 H new ATOM 0 HH12 ARG A 94 10.889 -17.468 -8.404 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.858 -16.632 -6.809 1.00 0.00 H new ATOM 0 HH22 ARG A 94 8.972 -17.934 -7.240 1.00 0.00 H new ATOM 1418 N ALA A 95 12.543 -8.982 -7.175 1.00 0.00 N ATOM 1419 CA ALA A 95 13.542 -7.960 -7.459 1.00 0.00 C ATOM 1420 C ALA A 95 14.937 -8.451 -7.139 1.00 0.00 C ATOM 1421 O ALA A 95 15.121 -9.534 -6.584 1.00 0.00 O ATOM 1422 CB ALA A 95 13.264 -6.691 -6.674 1.00 0.00 C ATOM 0 H ALA A 95 12.006 -8.824 -6.322 1.00 0.00 H new ATOM 0 HA ALA A 95 13.481 -7.741 -8.525 1.00 0.00 H new ATOM 0 HB1 ALA A 95 14.025 -5.946 -6.906 1.00 0.00 H new ATOM 0 HB2 ALA A 95 12.282 -6.303 -6.945 1.00 0.00 H new ATOM 0 HB3 ALA A 95 13.285 -6.911 -5.607 1.00 0.00 H new ATOM 1428 N ILE A 96 15.918 -7.634 -7.484 1.00 0.00 N ATOM 1429 CA ILE A 96 17.298 -7.947 -7.199 1.00 0.00 C ATOM 1430 C ILE A 96 17.841 -6.985 -6.156 1.00 0.00 C ATOM 1431 O ILE A 96 18.305 -5.896 -6.490 1.00 0.00 O ATOM 1432 CB ILE A 96 18.168 -7.873 -8.471 1.00 0.00 C ATOM 1433 CG1 ILE A 96 17.770 -8.982 -9.446 1.00 0.00 C ATOM 1434 CG2 ILE A 96 19.644 -7.975 -8.117 1.00 0.00 C ATOM 1435 CD1 ILE A 96 16.347 -8.862 -9.946 1.00 0.00 C ATOM 0 H ILE A 96 15.777 -6.745 -7.964 1.00 0.00 H new ATOM 0 HA ILE A 96 17.337 -8.967 -6.818 1.00 0.00 H new ATOM 0 HB ILE A 96 18.000 -6.909 -8.952 1.00 0.00 H new ATOM 0 HG12 ILE A 96 18.449 -8.967 -10.299 1.00 0.00 H new ATOM 0 HG13 ILE A 96 17.895 -9.948 -8.956 1.00 0.00 H new ATOM 0 HG21 ILE A 96 20.241 -7.921 -9.027 1.00 0.00 H new ATOM 0 HG22 ILE A 96 19.917 -7.153 -7.455 1.00 0.00 H new ATOM 0 HG23 ILE A 96 19.833 -8.924 -7.615 1.00 0.00 H new ATOM 0 HD11 ILE A 96 16.132 -9.681 -10.633 1.00 0.00 H new ATOM 0 HD12 ILE A 96 15.660 -8.907 -9.101 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.222 -7.911 -10.464 1.00 0.00 H new ATOM 1447 N HIS A 97 17.813 -7.402 -4.903 1.00 0.00 N ATOM 1448 CA HIS A 97 18.336 -6.573 -3.833 1.00 0.00 C ATOM 1449 C HIS A 97 19.792 -6.218 -4.107 1.00 0.00 C ATOM 1450 O HIS A 97 20.707 -6.945 -3.721 1.00 0.00 O ATOM 1451 CB HIS A 97 18.204 -7.279 -2.482 1.00 0.00 C ATOM 1452 CG HIS A 97 17.982 -6.341 -1.337 1.00 0.00 C ATOM 1453 ND1 HIS A 97 17.961 -6.750 -0.020 1.00 0.00 N ATOM 1454 CD2 HIS A 97 17.771 -5.003 -1.317 1.00 0.00 C ATOM 1455 CE1 HIS A 97 17.746 -5.706 0.760 1.00 0.00 C ATOM 1456 NE2 HIS A 97 17.628 -4.635 -0.002 1.00 0.00 N ATOM 0 H HIS A 97 17.437 -8.302 -4.603 1.00 0.00 H new ATOM 0 HA HIS A 97 17.751 -5.654 -3.794 1.00 0.00 H new ATOM 0 HB2 HIS A 97 17.375 -7.985 -2.529 1.00 0.00 H new ATOM 0 HB3 HIS A 97 19.107 -7.860 -2.295 1.00 0.00 H new ATOM 0 HD2 HIS A 97 17.724 -4.348 -2.175 1.00 0.00 H new ATOM 0 HE1 HIS A 97 17.678 -5.725 1.838 1.00 0.00 H new ATOM 0 HE2 HIS A 97 17.458 -3.686 0.332 1.00 0.00 H new ATOM 1465 N SER A 98 19.990 -5.106 -4.805 1.00 0.00 N ATOM 1466 CA SER A 98 21.322 -4.661 -5.181 1.00 0.00 C ATOM 1467 C SER A 98 21.534 -3.199 -4.795 1.00 0.00 C ATOM 1468 O SER A 98 20.574 -2.457 -4.583 1.00 0.00 O ATOM 1469 CB SER A 98 21.519 -4.858 -6.692 1.00 0.00 C ATOM 1470 OG SER A 98 22.179 -3.752 -7.289 1.00 0.00 O ATOM 0 H SER A 98 19.238 -4.494 -5.123 1.00 0.00 H new ATOM 0 HA SER A 98 22.061 -5.256 -4.644 1.00 0.00 H new ATOM 0 HB2 SER A 98 22.099 -5.764 -6.867 1.00 0.00 H new ATOM 0 HB3 SER A 98 20.549 -5.003 -7.169 1.00 0.00 H new ATOM 0 HG SER A 98 22.287 -3.915 -8.249 1.00 0.00 H new ATOM 1476 N SER A 99 22.795 -2.792 -4.705 1.00 0.00 N ATOM 1477 CA SER A 99 23.130 -1.420 -4.344 1.00 0.00 C ATOM 1478 C SER A 99 24.572 -1.095 -4.715 1.00 0.00 C ATOM 1479 O SER A 99 24.840 -0.530 -5.776 1.00 0.00 O ATOM 1480 CB SER A 99 22.907 -1.195 -2.847 1.00 0.00 C ATOM 1481 OG SER A 99 21.535 -0.981 -2.562 1.00 0.00 O ATOM 0 H SER A 99 23.602 -3.392 -4.877 1.00 0.00 H new ATOM 0 HA SER A 99 22.475 -0.753 -4.904 1.00 0.00 H new ATOM 0 HB2 SER A 99 23.267 -2.059 -2.289 1.00 0.00 H new ATOM 0 HB3 SER A 99 23.489 -0.335 -2.515 1.00 0.00 H new ATOM 0 HG SER A 99 20.988 -1.363 -3.280 1.00 0.00 H new ATOM 1487 N ASP A 100 25.494 -1.452 -3.834 1.00 0.00 N ATOM 1488 CA ASP A 100 26.912 -1.203 -4.065 1.00 0.00 C ATOM 1489 C ASP A 100 27.162 0.270 -4.375 1.00 0.00 C ATOM 1490 O ASP A 100 27.105 0.689 -5.531 1.00 0.00 O ATOM 1491 CB ASP A 100 27.422 -2.070 -5.217 1.00 0.00 C ATOM 1492 CG ASP A 100 27.364 -3.551 -4.897 1.00 0.00 C ATOM 1493 OD1 ASP A 100 26.274 -4.146 -5.034 1.00 0.00 O ATOM 1494 OD2 ASP A 100 28.409 -4.116 -4.511 1.00 0.00 O ATOM 0 H ASP A 100 25.287 -1.916 -2.950 1.00 0.00 H new ATOM 0 HA ASP A 100 27.454 -1.463 -3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 100 26.828 -1.870 -6.109 1.00 0.00 H new ATOM 0 HB3 ASP A 100 28.450 -1.792 -5.450 1.00 0.00 H new ATOM 1499 N GLU A 101 27.442 1.050 -3.336 1.00 0.00 N ATOM 1500 CA GLU A 101 27.700 2.476 -3.502 1.00 0.00 C ATOM 1501 C GLU A 101 28.150 3.109 -2.188 1.00 0.00 C ATOM 1502 O GLU A 101 27.439 3.929 -1.607 1.00 0.00 O ATOM 1503 CB GLU A 101 26.446 3.183 -4.019 1.00 0.00 C ATOM 1504 CG GLU A 101 25.297 3.191 -3.024 1.00 0.00 C ATOM 1505 CD GLU A 101 23.942 3.247 -3.699 1.00 0.00 C ATOM 1506 OE1 GLU A 101 23.882 3.034 -4.929 1.00 0.00 O ATOM 1507 OE2 GLU A 101 22.940 3.507 -3.000 1.00 0.00 O ATOM 0 H GLU A 101 27.496 0.720 -2.372 1.00 0.00 H new ATOM 0 HA GLU A 101 28.503 2.591 -4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 101 26.699 4.211 -4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 101 26.117 2.696 -4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 101 25.353 2.297 -2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 101 25.403 4.048 -2.359 1.00 0.00 H new ATOM 1514 N GLY A 102 29.336 2.729 -1.728 1.00 0.00 N ATOM 1515 CA GLY A 102 29.858 3.274 -0.490 1.00 0.00 C ATOM 1516 C GLY A 102 28.927 3.043 0.683 1.00 0.00 C ATOM 1517 O GLY A 102 28.711 1.904 1.099 1.00 0.00 O ATOM 0 H GLY A 102 29.945 2.054 -2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 102 30.826 2.820 -0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 102 30.027 4.344 -0.610 1.00 0.00 H new ATOM 1521 N GLU A 103 28.374 4.126 1.219 1.00 0.00 N ATOM 1522 CA GLU A 103 27.461 4.038 2.351 1.00 0.00 C ATOM 1523 C GLU A 103 26.308 3.088 2.048 1.00 0.00 C ATOM 1524 O GLU A 103 25.529 3.316 1.122 1.00 0.00 O ATOM 1525 CB GLU A 103 26.916 5.424 2.701 1.00 0.00 C ATOM 1526 CG GLU A 103 27.991 6.408 3.133 1.00 0.00 C ATOM 1527 CD GLU A 103 27.879 7.743 2.424 1.00 0.00 C ATOM 1528 OE1 GLU A 103 27.413 7.762 1.265 1.00 0.00 O ATOM 1529 OE2 GLU A 103 28.255 8.769 3.027 1.00 0.00 O ATOM 0 H GLU A 103 28.543 5.075 0.887 1.00 0.00 H new ATOM 0 HA GLU A 103 28.016 3.646 3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 103 26.391 5.828 1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 103 26.182 5.326 3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 103 27.922 6.566 4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 103 28.973 5.977 2.936 1.00 0.00 H new ATOM 1536 N ASP A 104 26.205 2.020 2.833 1.00 0.00 N ATOM 1537 CA ASP A 104 25.146 1.036 2.647 1.00 0.00 C ATOM 1538 C ASP A 104 23.796 1.602 3.072 1.00 0.00 C ATOM 1539 O ASP A 104 23.199 1.144 4.046 1.00 0.00 O ATOM 1540 CB ASP A 104 25.454 -0.233 3.446 1.00 0.00 C ATOM 1541 CG ASP A 104 26.525 -1.084 2.792 1.00 0.00 C ATOM 1542 OD1 ASP A 104 26.914 -0.772 1.647 1.00 0.00 O ATOM 1543 OD2 ASP A 104 26.973 -2.063 3.425 1.00 0.00 O ATOM 0 H ASP A 104 26.842 1.815 3.603 1.00 0.00 H new ATOM 0 HA ASP A 104 25.098 0.788 1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 104 25.776 0.043 4.450 1.00 0.00 H new ATOM 0 HB3 ASP A 104 24.543 -0.821 3.554 1.00 0.00 H new ATOM 1548 N GLN A 105 23.321 2.601 2.336 1.00 0.00 N ATOM 1549 CA GLN A 105 22.040 3.228 2.637 1.00 0.00 C ATOM 1550 C GLN A 105 20.993 2.857 1.594 1.00 0.00 C ATOM 1551 O GLN A 105 21.152 3.146 0.408 1.00 0.00 O ATOM 1552 CB GLN A 105 22.195 4.749 2.702 1.00 0.00 C ATOM 1553 CG GLN A 105 20.962 5.464 3.230 1.00 0.00 C ATOM 1554 CD GLN A 105 20.564 6.651 2.375 1.00 0.00 C ATOM 1555 OE1 GLN A 105 20.442 7.772 2.868 1.00 0.00 O ATOM 1556 NE2 GLN A 105 20.360 6.409 1.085 1.00 0.00 N ATOM 0 H GLN A 105 23.804 2.993 1.528 1.00 0.00 H new ATOM 0 HA GLN A 105 21.705 2.862 3.607 1.00 0.00 H new ATOM 0 HB2 GLN A 105 23.046 4.992 3.338 1.00 0.00 H new ATOM 0 HB3 GLN A 105 22.424 5.125 1.705 1.00 0.00 H new ATOM 0 HG2 GLN A 105 20.131 4.760 3.277 1.00 0.00 H new ATOM 0 HG3 GLN A 105 21.151 5.802 4.249 1.00 0.00 H new ATOM 0 HE21 GLN A 105 20.473 5.463 0.719 1.00 0.00 H new ATOM 0 HE22 GLN A 105 20.091 7.169 0.460 1.00 0.00 H new ATOM 1565 N ALA A 106 19.921 2.212 2.044 1.00 0.00 N ATOM 1566 CA ALA A 106 18.847 1.799 1.150 1.00 0.00 C ATOM 1567 C ALA A 106 17.904 2.961 0.854 1.00 0.00 C ATOM 1568 O ALA A 106 17.087 3.339 1.694 1.00 0.00 O ATOM 1569 CB ALA A 106 18.078 0.633 1.752 1.00 0.00 C ATOM 0 H ALA A 106 19.774 1.965 3.023 1.00 0.00 H new ATOM 0 HA ALA A 106 19.293 1.478 0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 106 17.279 0.335 1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 106 18.754 -0.208 1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 106 17.649 0.935 2.708 1.00 0.00 H new ATOM 1575 N GLY A 107 18.024 3.523 -0.344 1.00 0.00 N ATOM 1576 CA GLY A 107 17.177 4.637 -0.728 1.00 0.00 C ATOM 1577 C GLY A 107 16.977 4.724 -2.228 1.00 0.00 C ATOM 1578 O GLY A 107 17.304 3.743 -2.929 1.00 0.00 O ATOM 1579 OXT GLY A 107 16.491 5.772 -2.703 1.00 0.00 O ATOM 0 H GLY A 107 18.692 3.227 -1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 107 16.207 4.537 -0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 107 17.620 5.566 -0.369 1.00 0.00 H new TER 1583 GLY A 107