USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 809 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 82 SER OG : rot -43:sc= -1.79! USER MOD Set 1.2: A 84 ASN : amide:sc= -12.4! C(o=-14!,f=-24!) USER MOD Set 2.1: A 63 THR OG1 : rot 121:sc= -0.368! USER MOD Set 2.2: A 64 GLN :FLIP amide:sc= -6.59! C(o=-12!,f=-7!) USER MOD Set 3.1: A 12 ASN : amide:sc= -1.35! C(o=-2.9!,f=-8.5!) USER MOD Set 3.2: A 101 GLN : amide:sc= -1.6! K(o=-2.9!,f=-8.8) USER MOD Set 4.1: A 8 SER OG : rot 82:sc= 0.913 USER MOD Set 4.2: A 99 THR OG1 : rot 172:sc= 0.984 USER MOD Single : A 1 ASP N :NH3+ -177:sc= 0.35 (180deg=0.295) USER MOD Single : A 9 CYS SG : rot 180:sc= -4.46! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 159:sc= -0.122 (180deg=-0.328) USER MOD Single : A 20 ASN : amide:sc= -0.975! C(o=-0.98!,f=-6!) USER MOD Single : A 23 GLN : amide:sc= 0.644 K(o=0.64,f=-0.25) USER MOD Single : A 25 LYS NZ :NH3+ -120:sc= -3.46! (180deg=-8.59!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.11! USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0249) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 37:sc= -7.18! USER MOD Single : A 37 SER OG : rot 42:sc= 0.182 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.328 USER MOD Single : A 41 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.8!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -140:sc= -0.606 USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= -2.11 (180deg=-2.91) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0239 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -8.87! C(o=-8.9!,f=-9.7!) USER MOD Single : A 83 SER OG : rot 75:sc= 1.18 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 104 ASN :FLIP amide:sc= -1.43! C(o=-2.2!,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 12.202 -11.181 -4.292 1.00 0.00 N ATOM 2 CA ASP A 1 11.216 -11.893 -5.142 1.00 0.00 C ATOM 3 C ASP A 1 9.945 -11.071 -5.313 1.00 0.00 C ATOM 4 O ASP A 1 9.600 -10.269 -4.465 1.00 0.00 O ATOM 5 CB ASP A 1 10.855 -13.215 -4.453 1.00 0.00 C ATOM 6 CG ASP A 1 12.092 -14.113 -4.408 1.00 0.00 C ATOM 7 OD1 ASP A 1 13.109 -13.660 -4.909 1.00 0.00 O ATOM 8 OD2 ASP A 1 11.953 -15.202 -3.877 1.00 0.00 O ATOM 0 H1 ASP A 1 13.077 -11.740 -4.233 1.00 0.00 H new ATOM 0 H2 ASP A 1 12.412 -10.251 -4.708 1.00 0.00 H new ATOM 0 H3 ASP A 1 11.809 -11.052 -3.338 1.00 0.00 H new ATOM 0 HA ASP A 1 11.654 -12.063 -6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 1 10.492 -13.025 -3.443 1.00 0.00 H new ATOM 0 HB3 ASP A 1 10.049 -13.712 -4.993 1.00 0.00 H new ATOM 13 N TRP A 2 9.270 -11.282 -6.410 1.00 0.00 N ATOM 14 CA TRP A 2 8.022 -10.525 -6.654 1.00 0.00 C ATOM 15 C TRP A 2 6.826 -11.205 -5.994 1.00 0.00 C ATOM 16 O TRP A 2 6.152 -12.011 -6.604 1.00 0.00 O ATOM 17 CB TRP A 2 7.786 -10.478 -8.177 1.00 0.00 C ATOM 18 CG TRP A 2 8.303 -9.152 -8.741 1.00 0.00 C ATOM 19 CD1 TRP A 2 9.182 -8.368 -8.129 1.00 0.00 C ATOM 20 CD2 TRP A 2 7.912 -8.626 -9.880 1.00 0.00 C ATOM 21 NE1 TRP A 2 9.302 -7.318 -8.961 1.00 0.00 N ATOM 22 CE2 TRP A 2 8.526 -7.407 -10.099 1.00 0.00 C ATOM 23 CE3 TRP A 2 7.038 -9.132 -10.831 1.00 0.00 C ATOM 24 CZ2 TRP A 2 8.267 -6.699 -11.253 1.00 0.00 C ATOM 25 CZ3 TRP A 2 6.788 -8.421 -11.985 1.00 0.00 C ATOM 26 CH2 TRP A 2 7.403 -7.204 -12.193 1.00 0.00 C ATOM 0 H TRP A 2 9.531 -11.943 -7.141 1.00 0.00 H new ATOM 0 HA TRP A 2 8.123 -9.525 -6.233 1.00 0.00 H new ATOM 0 HB2 TRP A 2 8.296 -11.312 -8.659 1.00 0.00 H new ATOM 0 HB3 TRP A 2 6.723 -10.586 -8.393 1.00 0.00 H new ATOM 0 HD1 TRP A 2 9.682 -8.534 -7.186 1.00 0.00 H new ATOM 0 HE1 TRP A 2 9.913 -6.525 -8.768 1.00 0.00 H new ATOM 0 HE3 TRP A 2 6.553 -10.083 -10.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 8.745 -5.745 -11.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 6.110 -8.817 -12.727 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.205 -6.647 -13.097 1.00 0.00 H new ATOM 37 N VAL A 3 6.578 -10.857 -4.756 1.00 0.00 N ATOM 38 CA VAL A 3 5.429 -11.472 -4.039 1.00 0.00 C ATOM 39 C VAL A 3 5.022 -10.620 -2.828 1.00 0.00 C ATOM 40 O VAL A 3 5.497 -10.835 -1.731 1.00 0.00 O ATOM 41 CB VAL A 3 5.861 -12.868 -3.538 1.00 0.00 C ATOM 42 CG1 VAL A 3 5.683 -13.901 -4.659 1.00 0.00 C ATOM 43 CG2 VAL A 3 7.334 -12.823 -3.135 1.00 0.00 C ATOM 0 H VAL A 3 7.118 -10.179 -4.218 1.00 0.00 H new ATOM 0 HA VAL A 3 4.580 -11.542 -4.719 1.00 0.00 H new ATOM 0 HB VAL A 3 5.246 -13.149 -2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.989 -14.884 -4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.636 -13.935 -4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.297 -13.619 -5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.644 -13.806 -2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.939 -12.541 -3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.471 -12.090 -2.340 1.00 0.00 H new ATOM 53 N ILE A 4 4.148 -9.666 -3.053 1.00 0.00 N ATOM 54 CA ILE A 4 3.705 -8.799 -1.929 1.00 0.00 C ATOM 55 C ILE A 4 2.375 -8.090 -2.265 1.00 0.00 C ATOM 56 O ILE A 4 2.364 -6.999 -2.796 1.00 0.00 O ATOM 57 CB ILE A 4 4.791 -7.744 -1.696 1.00 0.00 C ATOM 58 CG1 ILE A 4 4.396 -6.832 -0.539 1.00 0.00 C ATOM 59 CG2 ILE A 4 4.943 -6.886 -2.965 1.00 0.00 C ATOM 60 CD1 ILE A 4 4.596 -7.575 0.787 1.00 0.00 C ATOM 0 H ILE A 4 3.729 -9.456 -3.959 1.00 0.00 H new ATOM 0 HA ILE A 4 3.548 -9.410 -1.040 1.00 0.00 H new ATOM 0 HB ILE A 4 5.729 -8.247 -1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.000 -5.924 -0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.355 -6.525 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.715 -6.133 -2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 4 5.226 -7.523 -3.803 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.996 -6.393 -3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.314 -6.924 1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.973 -8.470 0.800 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.643 -7.860 0.890 1.00 0.00 H new ATOM 72 N PRO A 5 1.267 -8.738 -1.943 1.00 0.00 N ATOM 73 CA PRO A 5 -0.056 -8.168 -2.211 1.00 0.00 C ATOM 74 C PRO A 5 -0.294 -6.810 -1.502 1.00 0.00 C ATOM 75 O PRO A 5 -0.841 -5.894 -2.087 1.00 0.00 O ATOM 76 CB PRO A 5 -1.057 -9.228 -1.692 1.00 0.00 C ATOM 77 CG PRO A 5 -0.225 -10.476 -1.253 1.00 0.00 C ATOM 78 CD PRO A 5 1.261 -10.090 -1.346 1.00 0.00 C ATOM 0 HA PRO A 5 -0.168 -7.952 -3.274 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.632 -8.835 -0.854 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.771 -9.496 -2.471 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.483 -10.771 -0.236 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.442 -11.328 -1.897 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.731 -10.090 -0.363 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.815 -10.797 -1.964 1.00 0.00 H new ATOM 86 N PRO A 6 0.122 -6.713 -0.250 1.00 0.00 N ATOM 87 CA PRO A 6 -0.046 -5.481 0.526 1.00 0.00 C ATOM 88 C PRO A 6 0.887 -4.369 0.047 1.00 0.00 C ATOM 89 O PRO A 6 2.050 -4.599 -0.223 1.00 0.00 O ATOM 90 CB PRO A 6 0.331 -5.873 1.968 1.00 0.00 C ATOM 91 CG PRO A 6 0.827 -7.348 1.930 1.00 0.00 C ATOM 92 CD PRO A 6 0.759 -7.813 0.466 1.00 0.00 C ATOM 0 HA PRO A 6 -1.061 -5.096 0.429 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.110 -5.215 2.354 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.528 -5.773 2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.846 -7.421 2.310 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.204 -7.980 2.564 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.754 -8.018 0.070 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.182 -8.733 0.370 1.00 0.00 H new ATOM 100 N ILE A 7 0.349 -3.184 -0.042 1.00 0.00 N ATOM 101 CA ILE A 7 1.160 -2.024 -0.496 1.00 0.00 C ATOM 102 C ILE A 7 0.824 -0.802 0.347 1.00 0.00 C ATOM 103 O ILE A 7 -0.100 -0.836 1.128 1.00 0.00 O ATOM 104 CB ILE A 7 0.813 -1.725 -1.960 1.00 0.00 C ATOM 105 CG1 ILE A 7 1.128 -2.939 -2.836 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.661 -0.532 -2.437 1.00 0.00 C ATOM 107 CD1 ILE A 7 2.640 -3.019 -3.103 1.00 0.00 C ATOM 0 H ILE A 7 -0.623 -2.970 0.182 1.00 0.00 H new ATOM 0 HA ILE A 7 2.220 -2.256 -0.394 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.249 -1.494 -2.038 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.789 -3.850 -2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.587 -2.867 -3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.423 -0.309 -3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.442 0.340 -1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.719 -0.780 -2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.854 -3.887 -3.727 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.967 -2.114 -3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.172 -3.113 -2.156 1.00 0.00 H new ATOM 119 N SER A 8 1.593 0.251 0.186 1.00 0.00 N ATOM 120 CA SER A 8 1.323 1.487 0.977 1.00 0.00 C ATOM 121 C SER A 8 1.368 2.730 0.092 1.00 0.00 C ATOM 122 O SER A 8 2.131 2.795 -0.851 1.00 0.00 O ATOM 123 CB SER A 8 2.404 1.617 2.060 1.00 0.00 C ATOM 124 OG SER A 8 2.247 2.942 2.547 1.00 0.00 O ATOM 0 H SER A 8 2.387 0.305 -0.453 1.00 0.00 H new ATOM 0 HA SER A 8 0.329 1.410 1.417 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.265 0.882 2.853 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.401 1.458 1.649 1.00 0.00 H new ATOM 0 HG SER A 8 1.519 2.966 3.202 1.00 0.00 H new ATOM 130 N CYS A 9 0.534 3.696 0.415 1.00 0.00 N ATOM 131 CA CYS A 9 0.505 4.952 -0.391 1.00 0.00 C ATOM 132 C CYS A 9 0.337 6.187 0.529 1.00 0.00 C ATOM 133 O CYS A 9 -0.615 6.269 1.275 1.00 0.00 O ATOM 134 CB CYS A 9 -0.707 4.886 -1.335 1.00 0.00 C ATOM 135 SG CYS A 9 -0.429 4.242 -3.005 1.00 0.00 S ATOM 0 H CYS A 9 -0.121 3.665 1.197 1.00 0.00 H new ATOM 0 HA CYS A 9 1.439 5.045 -0.945 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.471 4.271 -0.860 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.118 5.891 -1.426 1.00 0.00 H new ATOM 0 HG CYS A 9 -1.548 4.252 -3.666 1.00 0.00 H new ATOM 141 N PRO A 10 1.271 7.140 0.458 1.00 0.00 N ATOM 142 CA PRO A 10 1.195 8.344 1.292 1.00 0.00 C ATOM 143 C PRO A 10 -0.029 9.208 0.958 1.00 0.00 C ATOM 144 O PRO A 10 -0.656 9.044 -0.078 1.00 0.00 O ATOM 145 CB PRO A 10 2.478 9.135 0.969 1.00 0.00 C ATOM 146 CG PRO A 10 3.227 8.370 -0.162 1.00 0.00 C ATOM 147 CD PRO A 10 2.445 7.072 -0.432 1.00 0.00 C ATOM 0 HA PRO A 10 1.103 8.074 2.344 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.234 10.148 0.650 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.107 9.223 1.855 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.285 8.979 -1.064 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.251 8.147 0.138 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.144 7.003 -1.477 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.053 6.193 -0.217 1.00 0.00 H new ATOM 155 N GLU A 11 -0.330 10.122 1.853 1.00 0.00 N ATOM 156 CA GLU A 11 -1.498 11.025 1.643 1.00 0.00 C ATOM 157 C GLU A 11 -1.044 12.479 1.519 1.00 0.00 C ATOM 158 O GLU A 11 0.076 12.812 1.851 1.00 0.00 O ATOM 159 CB GLU A 11 -2.412 10.910 2.872 1.00 0.00 C ATOM 160 CG GLU A 11 -1.611 11.286 4.122 1.00 0.00 C ATOM 161 CD GLU A 11 -2.556 11.387 5.321 1.00 0.00 C ATOM 162 OE1 GLU A 11 -3.203 12.418 5.416 1.00 0.00 O ATOM 163 OE2 GLU A 11 -2.579 10.428 6.075 1.00 0.00 O ATOM 0 H GLU A 11 0.186 10.278 2.719 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.015 10.737 0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.274 11.569 2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.797 9.894 2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.842 10.537 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.099 12.236 3.967 1.00 0.00 H new ATOM 170 N ASN A 12 -1.931 13.314 1.041 1.00 0.00 N ATOM 171 CA ASN A 12 -1.589 14.757 0.879 1.00 0.00 C ATOM 172 C ASN A 12 -0.150 14.950 0.404 1.00 0.00 C ATOM 173 O ASN A 12 0.523 15.870 0.824 1.00 0.00 O ATOM 174 CB ASN A 12 -1.751 15.448 2.245 1.00 0.00 C ATOM 175 CG ASN A 12 -3.025 14.939 2.926 1.00 0.00 C ATOM 176 OD1 ASN A 12 -3.779 14.173 2.360 1.00 0.00 O ATOM 177 ND2 ASN A 12 -3.302 15.341 4.139 1.00 0.00 N ATOM 0 H ASN A 12 -2.876 13.058 0.756 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.254 15.186 0.129 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.884 15.244 2.873 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.803 16.529 2.114 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.147 15.011 4.605 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.673 15.984 4.619 1.00 0.00 H new ATOM 184 N GLU A 13 0.297 14.080 -0.459 1.00 0.00 N ATOM 185 CA GLU A 13 1.688 14.206 -0.968 1.00 0.00 C ATOM 186 C GLU A 13 1.971 15.627 -1.449 1.00 0.00 C ATOM 187 O GLU A 13 1.072 16.436 -1.572 1.00 0.00 O ATOM 188 CB GLU A 13 1.863 13.253 -2.162 1.00 0.00 C ATOM 189 CG GLU A 13 1.679 11.809 -1.696 1.00 0.00 C ATOM 190 CD GLU A 13 1.701 10.882 -2.915 1.00 0.00 C ATOM 191 OE1 GLU A 13 0.683 10.845 -3.586 1.00 0.00 O ATOM 192 OE2 GLU A 13 2.736 10.265 -3.107 1.00 0.00 O ATOM 0 H GLU A 13 -0.237 13.294 -0.830 1.00 0.00 H new ATOM 0 HA GLU A 13 2.376 13.962 -0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.137 13.490 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.853 13.381 -2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.472 11.534 -1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.735 11.704 -1.161 1.00 0.00 H new ATOM 199 N LYS A 14 3.222 15.898 -1.715 1.00 0.00 N ATOM 200 CA LYS A 14 3.601 17.254 -2.190 1.00 0.00 C ATOM 201 C LYS A 14 4.675 17.158 -3.269 1.00 0.00 C ATOM 202 O LYS A 14 5.280 16.119 -3.450 1.00 0.00 O ATOM 203 CB LYS A 14 4.165 18.051 -1.000 1.00 0.00 C ATOM 204 CG LYS A 14 5.324 17.270 -0.374 1.00 0.00 C ATOM 205 CD LYS A 14 5.424 17.623 1.115 1.00 0.00 C ATOM 206 CE LYS A 14 5.994 19.035 1.263 1.00 0.00 C ATOM 207 NZ LYS A 14 5.923 19.480 2.684 1.00 0.00 N ATOM 0 H LYS A 14 3.994 15.238 -1.623 1.00 0.00 H new ATOM 0 HA LYS A 14 2.722 17.747 -2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.509 19.030 -1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.384 18.222 -0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.164 16.199 -0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.258 17.513 -0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.440 17.565 1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.063 16.905 1.629 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.029 19.054 0.921 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.437 19.727 0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.314 20.440 2.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.932 19.481 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.474 18.829 3.279 1.00 0.00 H new ATOM 221 N GLY A 15 4.888 18.244 -3.971 1.00 0.00 N ATOM 222 CA GLY A 15 5.924 18.240 -5.049 1.00 0.00 C ATOM 223 C GLY A 15 5.268 18.237 -6.431 1.00 0.00 C ATOM 224 O GLY A 15 4.173 18.736 -6.603 1.00 0.00 O ATOM 0 H GLY A 15 4.393 19.127 -3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.565 19.116 -4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.563 17.363 -4.943 1.00 0.00 H new ATOM 228 N GLU A 16 5.959 17.666 -7.385 1.00 0.00 N ATOM 229 CA GLU A 16 5.412 17.611 -8.766 1.00 0.00 C ATOM 230 C GLU A 16 4.837 16.230 -9.074 1.00 0.00 C ATOM 231 O GLU A 16 5.388 15.221 -8.679 1.00 0.00 O ATOM 232 CB GLU A 16 6.567 17.893 -9.737 1.00 0.00 C ATOM 233 CG GLU A 16 7.887 17.518 -9.055 1.00 0.00 C ATOM 234 CD GLU A 16 9.004 17.455 -10.099 1.00 0.00 C ATOM 235 OE1 GLU A 16 9.187 18.466 -10.758 1.00 0.00 O ATOM 236 OE2 GLU A 16 9.612 16.400 -10.178 1.00 0.00 O ATOM 0 H GLU A 16 6.877 17.237 -7.263 1.00 0.00 H new ATOM 0 HA GLU A 16 4.613 18.345 -8.868 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.439 17.317 -10.654 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.574 18.946 -10.020 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.133 18.252 -8.288 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.789 16.555 -8.554 1.00 0.00 H new ATOM 243 N PHE A 17 3.733 16.217 -9.779 1.00 0.00 N ATOM 244 CA PHE A 17 3.089 14.922 -10.137 1.00 0.00 C ATOM 245 C PHE A 17 3.383 14.574 -11.601 1.00 0.00 C ATOM 246 O PHE A 17 3.700 15.441 -12.390 1.00 0.00 O ATOM 247 CB PHE A 17 1.565 15.094 -9.958 1.00 0.00 C ATOM 248 CG PHE A 17 1.194 14.908 -8.478 1.00 0.00 C ATOM 249 CD1 PHE A 17 1.545 13.751 -7.794 1.00 0.00 C ATOM 250 CD2 PHE A 17 0.499 15.896 -7.803 1.00 0.00 C ATOM 251 CE1 PHE A 17 1.206 13.594 -6.466 1.00 0.00 C ATOM 252 CE2 PHE A 17 0.162 15.734 -6.475 1.00 0.00 C ATOM 253 CZ PHE A 17 0.516 14.584 -5.810 1.00 0.00 C ATOM 0 H PHE A 17 3.252 17.049 -10.121 1.00 0.00 H new ATOM 0 HA PHE A 17 3.474 14.123 -9.503 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.258 16.083 -10.298 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.033 14.367 -10.571 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.087 12.969 -8.305 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.218 16.802 -8.320 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.483 12.692 -5.942 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.380 16.511 -5.957 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.251 14.459 -4.770 1.00 0.00 H new ATOM 263 N PRO A 18 3.273 13.298 -11.943 1.00 0.00 N ATOM 264 CA PRO A 18 2.929 12.225 -10.995 1.00 0.00 C ATOM 265 C PRO A 18 4.091 11.887 -10.060 1.00 0.00 C ATOM 266 O PRO A 18 5.231 12.190 -10.348 1.00 0.00 O ATOM 267 CB PRO A 18 2.641 10.999 -11.891 1.00 0.00 C ATOM 268 CG PRO A 18 3.014 11.394 -13.354 1.00 0.00 C ATOM 269 CD PRO A 18 3.442 12.870 -13.333 1.00 0.00 C ATOM 0 HA PRO A 18 2.093 12.521 -10.361 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.226 10.139 -11.565 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.591 10.714 -11.826 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.822 10.765 -13.728 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.163 11.250 -14.020 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.476 12.985 -13.658 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.828 13.468 -14.007 1.00 0.00 H new ATOM 277 N LYS A 19 3.762 11.258 -8.954 1.00 0.00 N ATOM 278 CA LYS A 19 4.814 10.878 -7.967 1.00 0.00 C ATOM 279 C LYS A 19 4.934 9.366 -7.872 1.00 0.00 C ATOM 280 O LYS A 19 3.963 8.682 -7.626 1.00 0.00 O ATOM 281 CB LYS A 19 4.402 11.411 -6.589 1.00 0.00 C ATOM 282 CG LYS A 19 4.954 12.822 -6.406 1.00 0.00 C ATOM 283 CD LYS A 19 4.721 13.259 -4.960 1.00 0.00 C ATOM 284 CE LYS A 19 6.012 13.063 -4.164 1.00 0.00 C ATOM 285 NZ LYS A 19 7.059 14.013 -4.632 1.00 0.00 N ATOM 0 H LYS A 19 2.811 10.994 -8.697 1.00 0.00 H new ATOM 0 HA LYS A 19 5.768 11.297 -8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.316 11.419 -6.500 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.781 10.756 -5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.018 12.844 -6.640 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.462 13.511 -7.092 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.414 14.305 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.914 12.676 -4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.819 13.218 -3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.365 12.038 -4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.779 14.129 -3.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.506 13.640 -5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.624 14.935 -4.839 1.00 0.00 H new ATOM 299 N ASN A 20 6.121 8.868 -8.066 1.00 0.00 N ATOM 300 CA ASN A 20 6.313 7.401 -7.989 1.00 0.00 C ATOM 301 C ASN A 20 6.296 6.925 -6.543 1.00 0.00 C ATOM 302 O ASN A 20 6.855 7.565 -5.674 1.00 0.00 O ATOM 303 CB ASN A 20 7.667 7.061 -8.606 1.00 0.00 C ATOM 304 CG ASN A 20 7.707 7.574 -10.046 1.00 0.00 C ATOM 305 OD1 ASN A 20 7.161 8.615 -10.361 1.00 0.00 O ATOM 306 ND2 ASN A 20 8.340 6.878 -10.949 1.00 0.00 N ATOM 0 H ASN A 20 6.959 9.411 -8.273 1.00 0.00 H new ATOM 0 HA ASN A 20 5.503 6.907 -8.525 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.469 7.514 -8.024 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.828 5.983 -8.587 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.376 7.207 -11.914 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.799 6.005 -10.690 1.00 0.00 H new ATOM 313 N LEU A 21 5.651 5.798 -6.315 1.00 0.00 N ATOM 314 CA LEU A 21 5.581 5.250 -4.929 1.00 0.00 C ATOM 315 C LEU A 21 6.353 3.947 -4.811 1.00 0.00 C ATOM 316 O LEU A 21 7.290 3.849 -4.045 1.00 0.00 O ATOM 317 CB LEU A 21 4.111 4.974 -4.588 1.00 0.00 C ATOM 318 CG LEU A 21 3.435 6.282 -4.171 1.00 0.00 C ATOM 319 CD1 LEU A 21 3.618 7.317 -5.276 1.00 0.00 C ATOM 320 CD2 LEU A 21 1.942 6.028 -3.959 1.00 0.00 C ATOM 0 H LEU A 21 5.176 5.243 -7.027 1.00 0.00 H new ATOM 0 HA LEU A 21 6.019 5.978 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.600 4.546 -5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.044 4.243 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 21 3.881 6.650 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.138 8.251 -4.983 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.682 7.491 -5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.166 6.950 -6.197 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.454 6.956 -3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.499 5.666 -4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.808 5.281 -3.177 1.00 0.00 H new ATOM 332 N VAL A 22 5.950 2.966 -5.570 1.00 0.00 N ATOM 333 CA VAL A 22 6.662 1.666 -5.501 1.00 0.00 C ATOM 334 C VAL A 22 6.398 0.824 -6.742 1.00 0.00 C ATOM 335 O VAL A 22 5.441 1.048 -7.456 1.00 0.00 O ATOM 336 CB VAL A 22 6.151 0.906 -4.269 1.00 0.00 C ATOM 337 CG1 VAL A 22 4.854 0.178 -4.628 1.00 0.00 C ATOM 338 CG2 VAL A 22 7.202 -0.120 -3.839 1.00 0.00 C ATOM 0 H VAL A 22 5.169 3.009 -6.225 1.00 0.00 H new ATOM 0 HA VAL A 22 7.734 1.853 -5.437 1.00 0.00 H new ATOM 0 HB VAL A 22 5.966 1.607 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.487 -0.363 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.105 0.904 -4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.044 -0.526 -5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.844 -0.663 -2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.380 -0.822 -4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.132 0.393 -3.592 1.00 0.00 H new ATOM 348 N GLN A 23 7.255 -0.131 -6.975 1.00 0.00 N ATOM 349 CA GLN A 23 7.072 -0.998 -8.162 1.00 0.00 C ATOM 350 C GLN A 23 6.096 -2.128 -7.866 1.00 0.00 C ATOM 351 O GLN A 23 5.940 -2.538 -6.733 1.00 0.00 O ATOM 352 CB GLN A 23 8.433 -1.599 -8.539 1.00 0.00 C ATOM 353 CG GLN A 23 9.314 -0.505 -9.146 1.00 0.00 C ATOM 354 CD GLN A 23 10.360 -1.147 -10.060 1.00 0.00 C ATOM 355 OE1 GLN A 23 11.549 -1.028 -9.841 1.00 0.00 O ATOM 356 NE2 GLN A 23 9.960 -1.834 -11.094 1.00 0.00 N ATOM 0 H GLN A 23 8.068 -0.344 -6.397 1.00 0.00 H new ATOM 0 HA GLN A 23 6.670 -0.400 -8.980 1.00 0.00 H new ATOM 0 HB2 GLN A 23 8.914 -2.023 -7.657 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.300 -2.413 -9.252 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.703 0.198 -9.712 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.805 0.063 -8.356 1.00 0.00 H new ATOM 0 HE21 GLN A 23 8.963 -1.937 -11.283 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.644 -2.268 -11.714 1.00 0.00 H new ATOM 365 N ILE A 24 5.456 -2.613 -8.897 1.00 0.00 N ATOM 366 CA ILE A 24 4.486 -3.717 -8.699 1.00 0.00 C ATOM 367 C ILE A 24 5.158 -5.078 -8.814 1.00 0.00 C ATOM 368 O ILE A 24 6.227 -5.200 -9.380 1.00 0.00 O ATOM 369 CB ILE A 24 3.425 -3.622 -9.787 1.00 0.00 C ATOM 370 CG1 ILE A 24 2.522 -2.417 -9.540 1.00 0.00 C ATOM 371 CG2 ILE A 24 2.584 -4.901 -9.745 1.00 0.00 C ATOM 372 CD1 ILE A 24 1.442 -2.776 -8.516 1.00 0.00 C ATOM 0 H ILE A 24 5.565 -2.292 -9.859 1.00 0.00 H new ATOM 0 HA ILE A 24 4.056 -3.623 -7.702 1.00 0.00 H new ATOM 0 HB ILE A 24 3.903 -3.506 -10.760 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.114 -1.576 -9.178 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.059 -2.101 -10.475 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.815 -4.857 -10.517 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.226 -5.764 -9.921 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.111 -4.994 -8.767 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.801 -1.911 -8.345 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.842 -3.603 -8.895 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.913 -3.070 -7.578 1.00 0.00 H new ATOM 384 N LYS A 25 4.512 -6.084 -8.266 1.00 0.00 N ATOM 385 CA LYS A 25 5.092 -7.451 -8.330 1.00 0.00 C ATOM 386 C LYS A 25 4.008 -8.521 -8.542 1.00 0.00 C ATOM 387 O LYS A 25 3.036 -8.570 -7.814 1.00 0.00 O ATOM 388 CB LYS A 25 5.804 -7.722 -7.007 1.00 0.00 C ATOM 389 CG LYS A 25 6.769 -6.568 -6.728 1.00 0.00 C ATOM 390 CD LYS A 25 7.633 -6.910 -5.514 1.00 0.00 C ATOM 391 CE LYS A 25 8.000 -5.614 -4.782 1.00 0.00 C ATOM 392 NZ LYS A 25 6.771 -4.900 -4.329 1.00 0.00 N ATOM 0 H LYS A 25 3.617 -6.011 -7.783 1.00 0.00 H new ATOM 0 HA LYS A 25 5.780 -7.502 -9.174 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.079 -7.813 -6.198 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.347 -8.666 -7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.400 -6.389 -7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.211 -5.650 -6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.094 -7.581 -4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.536 -7.433 -5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.632 -5.841 -3.924 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.579 -4.969 -5.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.737 -3.957 -4.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.930 -5.443 -4.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.788 -4.802 -3.294 1.00 0.00 H new ATOM 406 N SER A 26 4.210 -9.358 -9.543 1.00 0.00 N ATOM 407 CA SER A 26 3.215 -10.441 -9.836 1.00 0.00 C ATOM 408 C SER A 26 3.844 -11.816 -9.628 1.00 0.00 C ATOM 409 O SER A 26 4.957 -11.923 -9.156 1.00 0.00 O ATOM 410 CB SER A 26 2.784 -10.328 -11.311 1.00 0.00 C ATOM 411 OG SER A 26 1.887 -11.413 -11.496 1.00 0.00 O ATOM 0 H SER A 26 5.019 -9.335 -10.164 1.00 0.00 H new ATOM 0 HA SER A 26 2.363 -10.328 -9.166 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.300 -9.372 -11.512 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.640 -10.400 -11.983 1.00 0.00 H new ATOM 0 HG SER A 26 1.560 -11.413 -12.420 1.00 0.00 H new ATOM 417 N ASN A 27 3.114 -12.845 -9.989 1.00 0.00 N ATOM 418 CA ASN A 27 3.650 -14.226 -9.823 1.00 0.00 C ATOM 419 C ASN A 27 4.152 -14.780 -11.154 1.00 0.00 C ATOM 420 O ASN A 27 5.246 -15.303 -11.238 1.00 0.00 O ATOM 421 CB ASN A 27 2.515 -15.133 -9.319 1.00 0.00 C ATOM 422 CG ASN A 27 2.025 -14.630 -7.962 1.00 0.00 C ATOM 423 OD1 ASN A 27 2.761 -14.031 -7.205 1.00 0.00 O ATOM 424 ND2 ASN A 27 0.785 -14.853 -7.615 1.00 0.00 N ATOM 0 H ASN A 27 2.177 -12.786 -10.388 1.00 0.00 H new ATOM 0 HA ASN A 27 4.479 -14.198 -9.116 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.693 -15.137 -10.035 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.868 -16.161 -9.232 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.441 -14.524 -6.713 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.161 -15.356 -8.246 1.00 0.00 H new ATOM 431 N ARG A 28 3.342 -14.656 -12.171 1.00 0.00 N ATOM 432 CA ARG A 28 3.755 -15.171 -13.505 1.00 0.00 C ATOM 433 C ARG A 28 5.141 -14.664 -13.893 1.00 0.00 C ATOM 434 O ARG A 28 5.743 -15.154 -14.828 1.00 0.00 O ATOM 435 CB ARG A 28 2.744 -14.674 -14.549 1.00 0.00 C ATOM 436 CG ARG A 28 1.332 -15.086 -14.121 1.00 0.00 C ATOM 437 CD ARG A 28 1.073 -16.529 -14.564 1.00 0.00 C ATOM 438 NE ARG A 28 -0.394 -16.794 -14.535 1.00 0.00 N ATOM 439 CZ ARG A 28 -0.933 -17.503 -15.489 1.00 0.00 C ATOM 440 NH1 ARG A 28 -1.194 -16.928 -16.631 1.00 0.00 N ATOM 441 NH2 ARG A 28 -1.190 -18.762 -15.270 1.00 0.00 N ATOM 0 H ARG A 28 2.419 -14.223 -12.135 1.00 0.00 H new ATOM 0 HA ARG A 28 3.785 -16.260 -13.464 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.806 -13.590 -14.645 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.977 -15.094 -15.527 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.227 -15.001 -13.039 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.595 -14.418 -14.566 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.464 -16.690 -15.569 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.593 -17.224 -13.905 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.970 -16.425 -13.778 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.977 -15.941 -16.766 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.615 -17.466 -17.388 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.970 -19.177 -14.365 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.611 -19.332 -16.004 1.00 0.00 H new ATOM 455 N ASP A 29 5.625 -13.700 -13.172 1.00 0.00 N ATOM 456 CA ASP A 29 6.967 -13.159 -13.495 1.00 0.00 C ATOM 457 C ASP A 29 8.048 -14.223 -13.327 1.00 0.00 C ATOM 458 O ASP A 29 9.220 -13.909 -13.271 1.00 0.00 O ATOM 459 CB ASP A 29 7.258 -12.002 -12.537 1.00 0.00 C ATOM 460 CG ASP A 29 7.781 -12.559 -11.210 1.00 0.00 C ATOM 461 OD1 ASP A 29 7.005 -13.253 -10.572 1.00 0.00 O ATOM 462 OD2 ASP A 29 8.926 -12.263 -10.912 1.00 0.00 O ATOM 0 H ASP A 29 5.154 -13.265 -12.378 1.00 0.00 H new ATOM 0 HA ASP A 29 6.974 -12.826 -14.533 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.994 -11.328 -12.976 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.353 -11.419 -12.368 1.00 0.00 H new ATOM 467 N LYS A 30 7.633 -15.464 -13.252 1.00 0.00 N ATOM 468 CA LYS A 30 8.623 -16.562 -13.088 1.00 0.00 C ATOM 469 C LYS A 30 8.891 -17.262 -14.414 1.00 0.00 C ATOM 470 O LYS A 30 9.809 -18.054 -14.517 1.00 0.00 O ATOM 471 CB LYS A 30 8.047 -17.592 -12.101 1.00 0.00 C ATOM 472 CG LYS A 30 8.252 -17.088 -10.670 1.00 0.00 C ATOM 473 CD LYS A 30 9.183 -18.047 -9.923 1.00 0.00 C ATOM 474 CE LYS A 30 9.094 -17.759 -8.426 1.00 0.00 C ATOM 475 NZ LYS A 30 9.706 -16.438 -8.116 1.00 0.00 N ATOM 0 H LYS A 30 6.657 -15.758 -13.297 1.00 0.00 H new ATOM 0 HA LYS A 30 9.558 -16.139 -12.721 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.986 -17.747 -12.296 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.539 -18.555 -12.234 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.679 -16.085 -10.683 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.293 -17.019 -10.156 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.901 -19.080 -10.125 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.209 -17.923 -10.270 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.051 -17.768 -8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.604 -18.544 -7.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.730 -16.300 -7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.675 -16.407 -8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.141 -15.682 -8.553 1.00 0.00 H new ATOM 489 N GLU A 31 8.083 -16.956 -15.410 1.00 0.00 N ATOM 490 CA GLU A 31 8.279 -17.601 -16.743 1.00 0.00 C ATOM 491 C GLU A 31 8.818 -16.613 -17.778 1.00 0.00 C ATOM 492 O GLU A 31 9.663 -16.960 -18.577 1.00 0.00 O ATOM 493 CB GLU A 31 6.919 -18.132 -17.235 1.00 0.00 C ATOM 494 CG GLU A 31 5.799 -17.246 -16.693 1.00 0.00 C ATOM 495 CD GLU A 31 4.475 -17.654 -17.345 1.00 0.00 C ATOM 496 OE1 GLU A 31 4.361 -17.415 -18.536 1.00 0.00 O ATOM 497 OE2 GLU A 31 3.652 -18.183 -16.615 1.00 0.00 O ATOM 0 H GLU A 31 7.308 -16.295 -15.353 1.00 0.00 H new ATOM 0 HA GLU A 31 9.005 -18.406 -16.629 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.894 -18.143 -18.325 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.777 -19.160 -16.903 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.731 -17.347 -15.610 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.014 -16.198 -16.903 1.00 0.00 H new ATOM 504 N THR A 32 8.331 -15.400 -17.749 1.00 0.00 N ATOM 505 CA THR A 32 8.827 -14.406 -18.742 1.00 0.00 C ATOM 506 C THR A 32 8.573 -12.974 -18.285 1.00 0.00 C ATOM 507 O THR A 32 7.668 -12.719 -17.517 1.00 0.00 O ATOM 508 CB THR A 32 8.061 -14.626 -20.054 1.00 0.00 C ATOM 509 OG1 THR A 32 8.843 -14.008 -21.054 1.00 0.00 O ATOM 510 CG2 THR A 32 6.741 -13.838 -20.054 1.00 0.00 C ATOM 0 H THR A 32 7.626 -15.061 -17.095 1.00 0.00 H new ATOM 0 HA THR A 32 9.901 -14.545 -18.862 1.00 0.00 H new ATOM 0 HB THR A 32 7.872 -15.690 -20.196 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.406 -14.115 -21.924 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.215 -14.009 -20.993 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.118 -14.171 -19.224 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.952 -12.774 -19.945 1.00 0.00 H new ATOM 518 N LYS A 33 9.384 -12.054 -18.767 1.00 0.00 N ATOM 519 CA LYS A 33 9.180 -10.645 -18.361 1.00 0.00 C ATOM 520 C LYS A 33 7.728 -10.292 -18.572 1.00 0.00 C ATOM 521 O LYS A 33 7.274 -10.181 -19.694 1.00 0.00 O ATOM 522 CB LYS A 33 10.049 -9.731 -19.239 1.00 0.00 C ATOM 523 CG LYS A 33 9.980 -8.305 -18.682 1.00 0.00 C ATOM 524 CD LYS A 33 10.847 -7.380 -19.539 1.00 0.00 C ATOM 525 CE LYS A 33 11.006 -6.038 -18.818 1.00 0.00 C ATOM 526 NZ LYS A 33 11.150 -4.927 -19.802 1.00 0.00 N ATOM 0 H LYS A 33 10.158 -12.224 -19.409 1.00 0.00 H new ATOM 0 HA LYS A 33 9.455 -10.514 -17.314 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.080 -10.084 -19.247 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.697 -9.751 -20.270 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.948 -7.954 -18.679 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.325 -8.290 -17.648 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.823 -7.833 -19.712 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.387 -7.231 -20.516 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.140 -5.857 -18.181 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.880 -6.070 -18.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.257 -4.025 -19.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.990 -5.093 -20.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.304 -4.886 -20.406 1.00 0.00 H new ATOM 540 N VAL A 34 7.026 -10.115 -17.497 1.00 0.00 N ATOM 541 CA VAL A 34 5.591 -9.773 -17.611 1.00 0.00 C ATOM 542 C VAL A 34 5.310 -8.280 -17.426 1.00 0.00 C ATOM 543 O VAL A 34 5.922 -7.616 -16.613 1.00 0.00 O ATOM 544 CB VAL A 34 4.850 -10.558 -16.519 1.00 0.00 C ATOM 545 CG1 VAL A 34 5.596 -10.412 -15.191 1.00 0.00 C ATOM 546 CG2 VAL A 34 3.445 -10.000 -16.364 1.00 0.00 C ATOM 0 H VAL A 34 7.383 -10.192 -16.545 1.00 0.00 H new ATOM 0 HA VAL A 34 5.255 -10.031 -18.616 1.00 0.00 H new ATOM 0 HB VAL A 34 4.801 -11.610 -16.799 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.070 -10.969 -14.415 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.608 -10.804 -15.297 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.642 -9.359 -14.913 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.916 -10.555 -15.589 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.500 -8.948 -16.083 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.909 -10.096 -17.308 1.00 0.00 H new ATOM 556 N PHE A 35 4.370 -7.792 -18.206 1.00 0.00 N ATOM 557 CA PHE A 35 3.987 -6.353 -18.129 1.00 0.00 C ATOM 558 C PHE A 35 2.745 -6.239 -17.273 1.00 0.00 C ATOM 559 O PHE A 35 2.071 -7.224 -17.072 1.00 0.00 O ATOM 560 CB PHE A 35 3.670 -5.829 -19.542 1.00 0.00 C ATOM 561 CG PHE A 35 4.971 -5.472 -20.272 1.00 0.00 C ATOM 562 CD1 PHE A 35 6.182 -6.020 -19.878 1.00 0.00 C ATOM 563 CD2 PHE A 35 4.953 -4.579 -21.330 1.00 0.00 C ATOM 564 CE1 PHE A 35 7.349 -5.676 -20.530 1.00 0.00 C ATOM 565 CE2 PHE A 35 6.121 -4.239 -21.979 1.00 0.00 C ATOM 566 CZ PHE A 35 7.317 -4.788 -21.577 1.00 0.00 C ATOM 0 H PHE A 35 3.852 -8.337 -18.895 1.00 0.00 H new ATOM 0 HA PHE A 35 4.803 -5.771 -17.702 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.123 -6.585 -20.105 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.027 -4.952 -19.478 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.212 -6.720 -19.056 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.017 -4.145 -21.649 1.00 0.00 H new ATOM 0 HE1 PHE A 35 8.289 -6.106 -20.216 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.097 -3.542 -22.803 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.231 -4.520 -22.085 1.00 0.00 H new ATOM 576 N TYR A 36 2.451 -5.049 -16.785 1.00 0.00 N ATOM 577 CA TYR A 36 1.227 -4.895 -15.922 1.00 0.00 C ATOM 578 C TYR A 36 0.146 -3.995 -16.500 1.00 0.00 C ATOM 579 O TYR A 36 0.288 -3.396 -17.547 1.00 0.00 O ATOM 580 CB TYR A 36 1.674 -4.282 -14.603 1.00 0.00 C ATOM 581 CG TYR A 36 2.364 -5.350 -13.789 1.00 0.00 C ATOM 582 CD1 TYR A 36 3.613 -5.793 -14.148 1.00 0.00 C ATOM 583 CD2 TYR A 36 1.746 -5.900 -12.693 1.00 0.00 C ATOM 584 CE1 TYR A 36 4.235 -6.776 -13.424 1.00 0.00 C ATOM 585 CE2 TYR A 36 2.366 -6.882 -11.967 1.00 0.00 C ATOM 586 CZ TYR A 36 3.620 -7.329 -12.325 1.00 0.00 C ATOM 587 OH TYR A 36 4.253 -8.302 -11.586 1.00 0.00 O ATOM 0 H TYR A 36 2.991 -4.198 -16.942 1.00 0.00 H new ATOM 0 HA TYR A 36 0.787 -5.887 -15.826 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.351 -3.447 -14.783 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.816 -3.886 -14.059 1.00 0.00 H new ATOM 0 HD1 TYR A 36 4.108 -5.364 -15.006 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.765 -5.556 -12.402 1.00 0.00 H new ATOM 0 HE1 TYR A 36 5.216 -7.119 -13.719 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.869 -7.309 -11.108 1.00 0.00 H new ATOM 0 HH TYR A 36 5.213 -8.108 -11.544 1.00 0.00 H new ATOM 597 N SER A 37 -0.933 -3.941 -15.754 1.00 0.00 N ATOM 598 CA SER A 37 -2.103 -3.121 -16.131 1.00 0.00 C ATOM 599 C SER A 37 -2.902 -2.829 -14.862 1.00 0.00 C ATOM 600 O SER A 37 -2.812 -3.576 -13.907 1.00 0.00 O ATOM 601 CB SER A 37 -2.976 -3.925 -17.107 1.00 0.00 C ATOM 602 OG SER A 37 -2.651 -3.391 -18.381 1.00 0.00 O ATOM 0 H SER A 37 -1.043 -4.450 -14.877 1.00 0.00 H new ATOM 0 HA SER A 37 -1.789 -2.190 -16.604 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.756 -4.991 -17.054 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.036 -3.807 -16.884 1.00 0.00 H new ATOM 0 HG SER A 37 -1.684 -3.244 -18.437 1.00 0.00 H new ATOM 608 N ILE A 38 -3.668 -1.761 -14.863 1.00 0.00 N ATOM 609 CA ILE A 38 -4.465 -1.438 -13.635 1.00 0.00 C ATOM 610 C ILE A 38 -5.896 -1.029 -13.962 1.00 0.00 C ATOM 611 O ILE A 38 -6.167 -0.449 -14.993 1.00 0.00 O ATOM 612 CB ILE A 38 -3.762 -0.273 -12.912 1.00 0.00 C ATOM 613 CG1 ILE A 38 -4.780 0.592 -12.168 1.00 0.00 C ATOM 614 CG2 ILE A 38 -3.058 0.598 -13.964 1.00 0.00 C ATOM 615 CD1 ILE A 38 -4.038 1.633 -11.321 1.00 0.00 C ATOM 0 H ILE A 38 -3.775 -1.112 -15.643 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.519 -2.331 -13.012 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.048 -0.678 -12.195 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.441 1.089 -12.879 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.408 -0.031 -11.531 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.554 1.429 -13.470 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.325 -0.003 -14.502 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.795 0.987 -14.667 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.761 2.252 -10.789 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.396 1.126 -10.601 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.429 2.263 -11.970 1.00 0.00 H new ATOM 627 N THR A 39 -6.783 -1.351 -13.057 1.00 0.00 N ATOM 628 CA THR A 39 -8.209 -1.006 -13.257 1.00 0.00 C ATOM 629 C THR A 39 -8.950 -1.034 -11.920 1.00 0.00 C ATOM 630 O THR A 39 -8.476 -1.618 -10.955 1.00 0.00 O ATOM 631 CB THR A 39 -8.841 -2.032 -14.203 1.00 0.00 C ATOM 632 OG1 THR A 39 -10.233 -1.923 -13.992 1.00 0.00 O ATOM 633 CG2 THR A 39 -8.499 -3.463 -13.771 1.00 0.00 C ATOM 0 H THR A 39 -6.574 -1.840 -12.187 1.00 0.00 H new ATOM 0 HA THR A 39 -8.281 -0.005 -13.683 1.00 0.00 H new ATOM 0 HB THR A 39 -8.501 -1.851 -15.222 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.703 -2.557 -14.573 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.960 -4.171 -14.460 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.417 -3.598 -13.782 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.876 -3.639 -12.763 1.00 0.00 H new ATOM 641 N GLY A 40 -10.092 -0.385 -11.881 1.00 0.00 N ATOM 642 CA GLY A 40 -10.893 -0.355 -10.616 1.00 0.00 C ATOM 643 C GLY A 40 -10.911 1.057 -10.025 1.00 0.00 C ATOM 644 O GLY A 40 -10.502 2.010 -10.666 1.00 0.00 O ATOM 0 H GLY A 40 -10.501 0.122 -12.666 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.912 -0.684 -10.816 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.469 -1.052 -9.894 1.00 0.00 H new ATOM 648 N GLN A 41 -11.387 1.165 -8.812 1.00 0.00 N ATOM 649 CA GLN A 41 -11.438 2.500 -8.171 1.00 0.00 C ATOM 650 C GLN A 41 -10.065 3.148 -8.181 1.00 0.00 C ATOM 651 O GLN A 41 -9.120 2.608 -7.652 1.00 0.00 O ATOM 652 CB GLN A 41 -11.906 2.329 -6.713 1.00 0.00 C ATOM 653 CG GLN A 41 -10.810 1.633 -5.902 1.00 0.00 C ATOM 654 CD GLN A 41 -11.441 0.915 -4.708 1.00 0.00 C ATOM 655 OE1 GLN A 41 -11.010 1.063 -3.582 1.00 0.00 O ATOM 656 NE2 GLN A 41 -12.464 0.131 -4.909 1.00 0.00 N ATOM 0 H GLN A 41 -11.738 0.392 -8.247 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.129 3.137 -8.723 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -12.134 3.302 -6.277 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -12.824 1.743 -6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.276 0.919 -6.529 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.078 2.363 -5.556 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.831 0.003 -5.852 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.897 -0.354 -4.123 1.00 0.00 H new ATOM 665 N GLY A 42 -9.982 4.296 -8.799 1.00 0.00 N ATOM 666 CA GLY A 42 -8.671 5.012 -8.862 1.00 0.00 C ATOM 667 C GLY A 42 -8.145 5.047 -10.302 1.00 0.00 C ATOM 668 O GLY A 42 -7.233 5.802 -10.626 1.00 0.00 O ATOM 0 H GLY A 42 -10.759 4.768 -9.261 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.787 6.029 -8.487 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.947 4.515 -8.216 1.00 0.00 H new ATOM 672 N ALA A 43 -8.726 4.214 -11.129 1.00 0.00 N ATOM 673 CA ALA A 43 -8.303 4.157 -12.550 1.00 0.00 C ATOM 674 C ALA A 43 -9.487 4.457 -13.449 1.00 0.00 C ATOM 675 O ALA A 43 -9.568 5.517 -14.043 1.00 0.00 O ATOM 676 CB ALA A 43 -7.801 2.736 -12.850 1.00 0.00 C ATOM 0 H ALA A 43 -9.476 3.572 -10.875 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.516 4.890 -12.731 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.485 2.674 -13.891 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.957 2.503 -12.200 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.604 2.021 -12.671 1.00 0.00 H new ATOM 682 N ASP A 44 -10.394 3.518 -13.519 1.00 0.00 N ATOM 683 CA ASP A 44 -11.593 3.712 -14.370 1.00 0.00 C ATOM 684 C ASP A 44 -12.796 4.136 -13.526 1.00 0.00 C ATOM 685 O ASP A 44 -13.733 4.717 -14.036 1.00 0.00 O ATOM 686 CB ASP A 44 -11.913 2.375 -15.062 1.00 0.00 C ATOM 687 CG ASP A 44 -12.518 1.406 -14.043 1.00 0.00 C ATOM 688 OD1 ASP A 44 -11.851 1.184 -13.046 1.00 0.00 O ATOM 689 OD2 ASP A 44 -13.611 0.943 -14.320 1.00 0.00 O ATOM 0 H ASP A 44 -10.352 2.628 -13.022 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.392 4.494 -15.102 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.610 2.536 -15.885 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.006 1.949 -15.491 1.00 0.00 H new ATOM 694 N LYS A 45 -12.740 3.835 -12.245 1.00 0.00 N ATOM 695 CA LYS A 45 -13.872 4.211 -11.344 1.00 0.00 C ATOM 696 C LYS A 45 -13.496 5.418 -10.465 1.00 0.00 C ATOM 697 O LYS A 45 -12.340 5.612 -10.135 1.00 0.00 O ATOM 698 CB LYS A 45 -14.177 3.016 -10.430 1.00 0.00 C ATOM 699 CG LYS A 45 -15.363 2.237 -10.997 1.00 0.00 C ATOM 700 CD LYS A 45 -15.198 0.756 -10.648 1.00 0.00 C ATOM 701 CE LYS A 45 -16.432 -0.012 -11.124 1.00 0.00 C ATOM 702 NZ LYS A 45 -16.200 -0.580 -12.482 1.00 0.00 N ATOM 0 H LYS A 45 -11.965 3.350 -11.793 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.737 4.476 -11.951 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.304 2.368 -10.356 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.403 3.363 -9.422 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.297 2.619 -10.584 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.416 2.366 -12.078 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.301 0.356 -11.121 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.072 0.635 -9.572 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.662 -0.814 -10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.296 0.652 -11.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.047 -1.098 -12.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.002 0.191 -13.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.388 -1.229 -12.453 1.00 0.00 H new ATOM 716 N PRO A 46 -14.501 6.206 -10.093 1.00 0.00 N ATOM 717 CA PRO A 46 -14.281 7.390 -9.255 1.00 0.00 C ATOM 718 C PRO A 46 -13.511 7.027 -7.962 1.00 0.00 C ATOM 719 O PRO A 46 -13.908 6.129 -7.247 1.00 0.00 O ATOM 720 CB PRO A 46 -15.705 7.877 -8.891 1.00 0.00 C ATOM 721 CG PRO A 46 -16.719 6.976 -9.661 1.00 0.00 C ATOM 722 CD PRO A 46 -15.900 5.945 -10.454 1.00 0.00 C ATOM 0 HA PRO A 46 -13.688 8.144 -9.773 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.871 7.808 -7.816 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.835 8.923 -9.167 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.396 6.478 -8.967 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.335 7.576 -10.331 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.191 4.927 -10.194 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.058 6.058 -11.527 1.00 0.00 H new ATOM 730 N PRO A 47 -12.409 7.738 -7.679 1.00 0.00 N ATOM 731 CA PRO A 47 -11.879 8.818 -8.529 1.00 0.00 C ATOM 732 C PRO A 47 -11.406 8.292 -9.878 1.00 0.00 C ATOM 733 O PRO A 47 -10.572 7.413 -9.950 1.00 0.00 O ATOM 734 CB PRO A 47 -10.667 9.374 -7.754 1.00 0.00 C ATOM 735 CG PRO A 47 -10.547 8.562 -6.433 1.00 0.00 C ATOM 736 CD PRO A 47 -11.645 7.486 -6.455 1.00 0.00 C ATOM 0 HA PRO A 47 -12.646 9.566 -8.731 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.757 9.280 -8.346 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -10.801 10.435 -7.542 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.561 8.103 -6.352 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.666 9.215 -5.569 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.214 6.485 -6.459 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -12.281 7.555 -5.573 1.00 0.00 H new ATOM 744 N VAL A 48 -11.947 8.846 -10.922 1.00 0.00 N ATOM 745 CA VAL A 48 -11.554 8.400 -12.268 1.00 0.00 C ATOM 746 C VAL A 48 -10.241 9.040 -12.713 1.00 0.00 C ATOM 747 O VAL A 48 -10.188 10.219 -13.000 1.00 0.00 O ATOM 748 CB VAL A 48 -12.685 8.797 -13.245 1.00 0.00 C ATOM 749 CG1 VAL A 48 -12.108 9.096 -14.635 1.00 0.00 C ATOM 750 CG2 VAL A 48 -13.672 7.635 -13.357 1.00 0.00 C ATOM 0 H VAL A 48 -12.645 9.589 -10.894 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.401 7.321 -12.259 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.186 9.689 -12.868 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.916 9.374 -15.312 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.395 9.917 -14.564 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.603 8.209 -15.018 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -14.474 7.904 -14.044 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.154 6.752 -13.732 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.092 7.419 -12.375 1.00 0.00 H new ATOM 760 N GLY A 49 -9.201 8.250 -12.748 1.00 0.00 N ATOM 761 CA GLY A 49 -7.882 8.796 -13.178 1.00 0.00 C ATOM 762 C GLY A 49 -7.079 9.420 -12.033 1.00 0.00 C ATOM 763 O GLY A 49 -7.032 10.627 -11.896 1.00 0.00 O ATOM 0 H GLY A 49 -9.207 7.261 -12.500 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.295 7.996 -13.629 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.043 9.548 -13.951 1.00 0.00 H new ATOM 767 N VAL A 50 -6.471 8.586 -11.231 1.00 0.00 N ATOM 768 CA VAL A 50 -5.665 9.116 -10.101 1.00 0.00 C ATOM 769 C VAL A 50 -4.417 8.265 -9.936 1.00 0.00 C ATOM 770 O VAL A 50 -3.342 8.790 -9.709 1.00 0.00 O ATOM 771 CB VAL A 50 -6.487 9.106 -8.812 1.00 0.00 C ATOM 772 CG1 VAL A 50 -7.469 10.276 -8.844 1.00 0.00 C ATOM 773 CG2 VAL A 50 -7.256 7.814 -8.701 1.00 0.00 C ATOM 0 H VAL A 50 -6.499 7.570 -11.311 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.376 10.145 -10.314 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.820 9.198 -7.955 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.061 10.279 -7.929 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.917 11.213 -8.922 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.131 10.172 -9.704 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.839 7.815 -7.780 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.927 7.715 -9.555 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.559 6.976 -8.688 1.00 0.00 H new ATOM 783 N PHE A 51 -4.577 6.947 -10.039 1.00 0.00 N ATOM 784 CA PHE A 51 -3.383 6.049 -9.896 1.00 0.00 C ATOM 785 C PHE A 51 -2.955 5.581 -11.281 1.00 0.00 C ATOM 786 O PHE A 51 -3.788 5.312 -12.123 1.00 0.00 O ATOM 787 CB PHE A 51 -3.729 4.775 -9.070 1.00 0.00 C ATOM 788 CG PHE A 51 -4.239 5.119 -7.666 1.00 0.00 C ATOM 789 CD1 PHE A 51 -4.248 6.420 -7.195 1.00 0.00 C ATOM 790 CD2 PHE A 51 -4.694 4.102 -6.838 1.00 0.00 C ATOM 791 CE1 PHE A 51 -4.702 6.694 -5.923 1.00 0.00 C ATOM 792 CE2 PHE A 51 -5.145 4.381 -5.570 1.00 0.00 C ATOM 793 CZ PHE A 51 -5.151 5.675 -5.111 1.00 0.00 C ATOM 0 H PHE A 51 -5.464 6.475 -10.212 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.598 6.611 -9.391 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.486 4.195 -9.598 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.844 4.144 -8.989 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.898 7.223 -7.826 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.694 3.082 -7.193 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.706 7.712 -5.561 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.495 3.581 -4.934 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.507 5.894 -4.115 1.00 0.00 H new ATOM 803 N ILE A 52 -1.672 5.492 -11.499 1.00 0.00 N ATOM 804 CA ILE A 52 -1.185 5.038 -12.832 1.00 0.00 C ATOM 805 C ILE A 52 0.006 4.103 -12.669 1.00 0.00 C ATOM 806 O ILE A 52 0.742 4.196 -11.701 1.00 0.00 O ATOM 807 CB ILE A 52 -0.781 6.265 -13.654 1.00 0.00 C ATOM 808 CG1 ILE A 52 -0.104 7.283 -12.764 1.00 0.00 C ATOM 809 CG2 ILE A 52 -2.052 6.900 -14.243 1.00 0.00 C ATOM 810 CD1 ILE A 52 0.610 8.311 -13.640 1.00 0.00 C ATOM 0 H ILE A 52 -0.945 5.712 -10.818 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.979 4.495 -13.345 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.096 5.961 -14.446 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.839 7.776 -12.128 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.610 6.791 -12.103 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.781 7.776 -14.832 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.558 6.176 -14.881 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.718 7.198 -13.434 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.101 9.050 -13.007 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.355 7.809 -14.257 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.116 8.809 -14.282 1.00 0.00 H new ATOM 822 N ILE A 53 0.175 3.211 -13.619 1.00 0.00 N ATOM 823 CA ILE A 53 1.312 2.254 -13.532 1.00 0.00 C ATOM 824 C ILE A 53 2.004 2.056 -14.871 1.00 0.00 C ATOM 825 O ILE A 53 1.391 2.156 -15.916 1.00 0.00 O ATOM 826 CB ILE A 53 0.740 0.909 -13.097 1.00 0.00 C ATOM 827 CG1 ILE A 53 0.015 1.082 -11.782 1.00 0.00 C ATOM 828 CG2 ILE A 53 1.900 -0.084 -12.902 1.00 0.00 C ATOM 829 CD1 ILE A 53 -0.417 -0.289 -11.257 1.00 0.00 C ATOM 0 H ILE A 53 -0.421 3.109 -14.440 1.00 0.00 H new ATOM 0 HA ILE A 53 2.046 2.650 -12.830 1.00 0.00 H new ATOM 0 HB ILE A 53 0.050 0.535 -13.853 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.665 1.573 -11.058 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.856 1.724 -11.916 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.503 -1.050 -12.591 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.442 -0.200 -13.841 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.578 0.294 -12.136 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.940 -0.167 -10.309 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.082 -0.762 -11.980 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.463 -0.915 -11.108 1.00 0.00 H new ATOM 841 N GLU A 54 3.279 1.775 -14.810 1.00 0.00 N ATOM 842 CA GLU A 54 4.042 1.559 -16.061 1.00 0.00 C ATOM 843 C GLU A 54 3.973 0.084 -16.450 1.00 0.00 C ATOM 844 O GLU A 54 4.683 -0.744 -15.907 1.00 0.00 O ATOM 845 CB GLU A 54 5.508 1.949 -15.808 1.00 0.00 C ATOM 846 CG GLU A 54 5.900 3.079 -16.759 1.00 0.00 C ATOM 847 CD GLU A 54 5.585 2.662 -18.196 1.00 0.00 C ATOM 848 OE1 GLU A 54 6.191 1.699 -18.623 1.00 0.00 O ATOM 849 OE2 GLU A 54 4.755 3.335 -18.784 1.00 0.00 O ATOM 0 H GLU A 54 3.818 1.687 -13.949 1.00 0.00 H new ATOM 0 HA GLU A 54 3.623 2.163 -16.866 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.639 2.267 -14.774 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.157 1.087 -15.961 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.356 3.989 -16.505 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.962 3.303 -16.658 1.00 0.00 H new ATOM 856 N ARG A 55 3.111 -0.215 -17.380 1.00 0.00 N ATOM 857 CA ARG A 55 2.967 -1.624 -17.827 1.00 0.00 C ATOM 858 C ARG A 55 4.316 -2.302 -18.044 1.00 0.00 C ATOM 859 O ARG A 55 4.384 -3.512 -18.137 1.00 0.00 O ATOM 860 CB ARG A 55 2.201 -1.628 -19.158 1.00 0.00 C ATOM 861 CG ARG A 55 3.034 -0.900 -20.216 1.00 0.00 C ATOM 862 CD ARG A 55 2.322 -0.992 -21.569 1.00 0.00 C ATOM 863 NE ARG A 55 2.789 0.128 -22.437 1.00 0.00 N ATOM 864 CZ ARG A 55 3.215 -0.130 -23.644 1.00 0.00 C ATOM 865 NH1 ARG A 55 2.831 -1.234 -24.224 1.00 0.00 N ATOM 866 NH2 ARG A 55 4.005 0.728 -24.230 1.00 0.00 N ATOM 0 H ARG A 55 2.501 0.455 -17.848 1.00 0.00 H new ATOM 0 HA ARG A 55 2.437 -2.175 -17.050 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.002 -2.652 -19.475 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.235 -1.138 -19.037 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.170 0.144 -19.934 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.027 -1.344 -20.283 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.535 -1.950 -22.043 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.242 -0.937 -21.431 1.00 0.00 H new ATOM 0 HE ARG A 55 2.776 1.087 -22.090 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.209 -1.877 -23.735 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.153 -1.453 -25.167 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.279 1.582 -23.745 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.348 0.544 -25.173 1.00 0.00 H new ATOM 880 N GLU A 56 5.366 -1.525 -18.109 1.00 0.00 N ATOM 881 CA GLU A 56 6.705 -2.136 -18.323 1.00 0.00 C ATOM 882 C GLU A 56 7.414 -2.407 -17.005 1.00 0.00 C ATOM 883 O GLU A 56 7.574 -3.544 -16.606 1.00 0.00 O ATOM 884 CB GLU A 56 7.555 -1.160 -19.145 1.00 0.00 C ATOM 885 CG GLU A 56 7.085 -1.198 -20.598 1.00 0.00 C ATOM 886 CD GLU A 56 8.155 -0.577 -21.496 1.00 0.00 C ATOM 887 OE1 GLU A 56 9.247 -1.119 -21.491 1.00 0.00 O ATOM 888 OE2 GLU A 56 7.818 0.405 -22.138 1.00 0.00 O ATOM 0 H GLU A 56 5.353 -0.509 -18.024 1.00 0.00 H new ATOM 0 HA GLU A 56 6.574 -3.086 -18.841 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.462 -0.150 -18.745 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.609 -1.432 -19.082 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.892 -2.227 -20.902 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.147 -0.653 -20.702 1.00 0.00 H new ATOM 895 N THR A 57 7.829 -1.362 -16.355 1.00 0.00 N ATOM 896 CA THR A 57 8.531 -1.543 -15.061 1.00 0.00 C ATOM 897 C THR A 57 7.543 -1.701 -13.916 1.00 0.00 C ATOM 898 O THR A 57 7.917 -1.642 -12.761 1.00 0.00 O ATOM 899 CB THR A 57 9.383 -0.302 -14.799 1.00 0.00 C ATOM 900 OG1 THR A 57 8.484 0.782 -14.881 1.00 0.00 O ATOM 901 CG2 THR A 57 10.384 -0.067 -15.943 1.00 0.00 C ATOM 0 H THR A 57 7.714 -0.396 -16.661 1.00 0.00 H new ATOM 0 HA THR A 57 9.144 -2.443 -15.117 1.00 0.00 H new ATOM 0 HB THR A 57 9.912 -0.408 -13.852 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.915 1.531 -15.343 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.977 0.822 -15.730 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.044 -0.930 -16.032 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.842 0.074 -16.878 1.00 0.00 H new ATOM 909 N GLY A 58 6.297 -1.897 -14.249 1.00 0.00 N ATOM 910 CA GLY A 58 5.280 -2.058 -13.175 1.00 0.00 C ATOM 911 C GLY A 58 5.414 -0.929 -12.153 1.00 0.00 C ATOM 912 O GLY A 58 4.869 -0.999 -11.069 1.00 0.00 O ATOM 0 H GLY A 58 5.944 -1.952 -15.204 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.279 -2.052 -13.607 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.409 -3.022 -12.683 1.00 0.00 H new ATOM 916 N TRP A 59 6.146 0.089 -12.522 1.00 0.00 N ATOM 917 CA TRP A 59 6.329 1.228 -11.594 1.00 0.00 C ATOM 918 C TRP A 59 4.981 1.837 -11.222 1.00 0.00 C ATOM 919 O TRP A 59 4.281 2.362 -12.071 1.00 0.00 O ATOM 920 CB TRP A 59 7.181 2.296 -12.302 1.00 0.00 C ATOM 921 CG TRP A 59 8.586 2.309 -11.697 1.00 0.00 C ATOM 922 CD1 TRP A 59 9.702 2.105 -12.381 1.00 0.00 C ATOM 923 CD2 TRP A 59 8.840 2.533 -10.438 1.00 0.00 C ATOM 924 NE1 TRP A 59 10.669 2.221 -11.451 1.00 0.00 N ATOM 925 CE2 TRP A 59 10.197 2.495 -10.180 1.00 0.00 C ATOM 926 CE3 TRP A 59 7.951 2.786 -9.419 1.00 0.00 C ATOM 927 CZ2 TRP A 59 10.660 2.712 -8.899 1.00 0.00 C ATOM 928 CZ3 TRP A 59 8.412 3.003 -8.138 1.00 0.00 C ATOM 929 CH2 TRP A 59 9.767 2.966 -7.877 1.00 0.00 C ATOM 0 H TRP A 59 6.620 0.175 -13.421 1.00 0.00 H new ATOM 0 HA TRP A 59 6.818 0.879 -10.685 1.00 0.00 H new ATOM 0 HB2 TRP A 59 7.235 2.085 -13.370 1.00 0.00 H new ATOM 0 HB3 TRP A 59 6.718 3.277 -12.194 1.00 0.00 H new ATOM 0 HD1 TRP A 59 9.811 1.895 -13.435 1.00 0.00 H new ATOM 0 HE1 TRP A 59 11.661 2.116 -11.665 1.00 0.00 H new ATOM 0 HE3 TRP A 59 6.891 2.815 -9.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 11.720 2.683 -8.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 7.713 3.202 -7.339 1.00 0.00 H new ATOM 0 HH2 TRP A 59 10.129 3.136 -6.874 1.00 0.00 H new ATOM 940 N LEU A 60 4.633 1.751 -9.959 1.00 0.00 N ATOM 941 CA LEU A 60 3.334 2.325 -9.529 1.00 0.00 C ATOM 942 C LEU A 60 3.501 3.764 -9.076 1.00 0.00 C ATOM 943 O LEU A 60 4.170 4.035 -8.087 1.00 0.00 O ATOM 944 CB LEU A 60 2.777 1.510 -8.337 1.00 0.00 C ATOM 945 CG LEU A 60 1.236 1.679 -8.265 1.00 0.00 C ATOM 946 CD1 LEU A 60 0.733 1.253 -6.896 1.00 0.00 C ATOM 947 CD2 LEU A 60 0.856 3.150 -8.473 1.00 0.00 C ATOM 0 H LEU A 60 5.188 1.314 -9.223 1.00 0.00 H new ATOM 0 HA LEU A 60 2.652 2.287 -10.378 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.032 0.457 -8.453 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.234 1.848 -7.407 1.00 0.00 H new ATOM 0 HG LEU A 60 0.788 1.062 -9.044 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.349 1.374 -6.852 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.988 0.207 -6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.199 1.871 -6.129 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.227 3.257 -8.421 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.319 3.759 -7.696 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.206 3.482 -9.450 1.00 0.00 H new ATOM 959 N LYS A 61 2.893 4.659 -9.812 1.00 0.00 N ATOM 960 CA LYS A 61 2.985 6.094 -9.460 1.00 0.00 C ATOM 961 C LYS A 61 1.583 6.661 -9.371 1.00 0.00 C ATOM 962 O LYS A 61 0.653 6.080 -9.902 1.00 0.00 O ATOM 963 CB LYS A 61 3.794 6.838 -10.552 1.00 0.00 C ATOM 964 CG LYS A 61 3.188 6.567 -11.927 1.00 0.00 C ATOM 965 CD LYS A 61 4.309 6.238 -12.917 1.00 0.00 C ATOM 966 CE LYS A 61 3.843 6.585 -14.334 1.00 0.00 C ATOM 967 NZ LYS A 61 3.687 8.060 -14.485 1.00 0.00 N ATOM 0 H LYS A 61 2.338 4.450 -10.642 1.00 0.00 H new ATOM 0 HA LYS A 61 3.490 6.219 -8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.794 7.909 -10.350 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.833 6.510 -10.533 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.483 5.738 -11.870 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.629 7.438 -12.269 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.208 6.802 -12.668 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.568 5.181 -12.854 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.564 6.213 -15.062 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.895 6.090 -14.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.953 8.261 -15.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.410 8.475 -13.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.589 8.475 -14.794 1.00 0.00 H new ATOM 981 N VAL A 62 1.440 7.770 -8.693 1.00 0.00 N ATOM 982 CA VAL A 62 0.077 8.373 -8.569 1.00 0.00 C ATOM 983 C VAL A 62 0.078 9.860 -8.859 1.00 0.00 C ATOM 984 O VAL A 62 1.033 10.559 -8.578 1.00 0.00 O ATOM 985 CB VAL A 62 -0.416 8.145 -7.124 1.00 0.00 C ATOM 986 CG1 VAL A 62 0.235 6.881 -6.574 1.00 0.00 C ATOM 987 CG2 VAL A 62 -0.017 9.331 -6.243 1.00 0.00 C ATOM 0 H VAL A 62 2.192 8.278 -8.227 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.577 7.898 -9.300 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.501 8.044 -7.124 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.107 6.710 -5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.041 6.029 -7.196 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.319 6.998 -6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.368 9.163 -5.225 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.068 9.433 -6.240 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.466 10.243 -6.636 1.00 0.00 H new ATOM 997 N THR A 63 -1.003 10.314 -9.426 1.00 0.00 N ATOM 998 CA THR A 63 -1.114 11.744 -9.751 1.00 0.00 C ATOM 999 C THR A 63 -1.778 12.475 -8.600 1.00 0.00 C ATOM 1000 O THR A 63 -1.336 13.533 -8.194 1.00 0.00 O ATOM 1001 CB THR A 63 -1.982 11.889 -11.005 1.00 0.00 C ATOM 1002 OG1 THR A 63 -3.158 11.152 -10.734 1.00 0.00 O ATOM 1003 CG2 THR A 63 -1.343 11.165 -12.198 1.00 0.00 C ATOM 0 H THR A 63 -1.813 9.747 -9.676 1.00 0.00 H new ATOM 0 HA THR A 63 -0.124 12.166 -9.923 1.00 0.00 H new ATOM 0 HB THR A 63 -2.129 12.945 -11.231 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.936 11.746 -10.788 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.977 11.282 -13.077 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.361 11.593 -12.400 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.236 10.105 -11.966 1.00 0.00 H new ATOM 1011 N GLN A 64 -2.836 11.889 -8.092 1.00 0.00 N ATOM 1012 CA GLN A 64 -3.558 12.523 -6.959 1.00 0.00 C ATOM 1013 C GLN A 64 -3.205 11.810 -5.630 1.00 0.00 C ATOM 1014 O GLN A 64 -3.295 10.602 -5.540 1.00 0.00 O ATOM 1015 CB GLN A 64 -5.063 12.375 -7.214 1.00 0.00 C ATOM 1016 CG GLN A 64 -5.513 13.459 -8.199 1.00 0.00 C ATOM 1017 CD GLN A 64 -4.574 13.471 -9.411 1.00 0.00 C ATOM 1018 OE1 GLN A 64 -4.850 12.711 -10.436 1.00 0.00 O flip ATOM 1019 NE2 GLN A 64 -3.582 14.174 -9.435 1.00 0.00 N flip ATOM 0 H GLN A 64 -3.225 11.003 -8.416 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.273 13.572 -6.883 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.281 11.386 -7.618 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.614 12.465 -6.278 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.537 13.270 -8.521 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.507 14.434 -7.711 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.360 14.770 -8.638 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.972 14.167 -10.252 1.00 0.00 H new ATOM 1028 N PRO A 65 -2.806 12.578 -4.615 1.00 0.00 N ATOM 1029 CA PRO A 65 -2.448 12.001 -3.314 1.00 0.00 C ATOM 1030 C PRO A 65 -3.650 11.357 -2.625 1.00 0.00 C ATOM 1031 O PRO A 65 -4.781 11.578 -3.006 1.00 0.00 O ATOM 1032 CB PRO A 65 -1.970 13.198 -2.470 1.00 0.00 C ATOM 1033 CG PRO A 65 -2.230 14.488 -3.303 1.00 0.00 C ATOM 1034 CD PRO A 65 -2.684 14.043 -4.700 1.00 0.00 C ATOM 0 HA PRO A 65 -1.697 11.220 -3.431 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.507 13.238 -1.522 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.911 13.101 -2.232 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.993 15.105 -2.829 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.326 15.093 -3.367 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.635 14.503 -4.971 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.961 14.335 -5.461 1.00 0.00 H new ATOM 1042 N LEU A 66 -3.376 10.566 -1.615 1.00 0.00 N ATOM 1043 CA LEU A 66 -4.486 9.900 -0.888 1.00 0.00 C ATOM 1044 C LEU A 66 -4.911 10.736 0.310 1.00 0.00 C ATOM 1045 O LEU A 66 -4.266 11.708 0.647 1.00 0.00 O ATOM 1046 CB LEU A 66 -3.998 8.534 -0.370 1.00 0.00 C ATOM 1047 CG LEU A 66 -3.429 7.707 -1.526 1.00 0.00 C ATOM 1048 CD1 LEU A 66 -3.568 6.220 -1.190 1.00 0.00 C ATOM 1049 CD2 LEU A 66 -4.208 8.000 -2.805 1.00 0.00 C ATOM 0 H LEU A 66 -2.439 10.358 -1.270 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.329 9.781 -1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.235 8.678 0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.823 7.998 0.099 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.380 7.965 -1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.165 5.623 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.017 6.001 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.621 5.976 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.798 7.409 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.257 7.741 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.126 9.060 -3.046 1.00 0.00 H new ATOM 1061 N ASP A 67 -5.999 10.345 0.926 1.00 0.00 N ATOM 1062 CA ASP A 67 -6.492 11.100 2.112 1.00 0.00 C ATOM 1063 C ASP A 67 -6.932 10.135 3.204 1.00 0.00 C ATOM 1064 O ASP A 67 -8.060 9.692 3.225 1.00 0.00 O ATOM 1065 CB ASP A 67 -7.699 11.950 1.693 1.00 0.00 C ATOM 1066 CG ASP A 67 -8.241 12.679 2.923 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -7.618 12.519 3.962 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -9.244 13.352 2.758 1.00 0.00 O ATOM 0 H ASP A 67 -6.563 9.539 0.658 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.689 11.732 2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.407 12.668 0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.473 11.318 1.258 1.00 0.00 H new ATOM 1073 N ARG A 68 -6.031 9.831 4.096 1.00 0.00 N ATOM 1074 CA ARG A 68 -6.375 8.895 5.195 1.00 0.00 C ATOM 1075 C ARG A 68 -7.694 9.267 5.871 1.00 0.00 C ATOM 1076 O ARG A 68 -8.356 8.422 6.440 1.00 0.00 O ATOM 1077 CB ARG A 68 -5.255 8.948 6.242 1.00 0.00 C ATOM 1078 CG ARG A 68 -5.344 7.704 7.123 1.00 0.00 C ATOM 1079 CD ARG A 68 -4.353 7.836 8.276 1.00 0.00 C ATOM 1080 NE ARG A 68 -4.615 6.754 9.264 1.00 0.00 N ATOM 1081 CZ ARG A 68 -3.904 5.664 9.218 1.00 0.00 C ATOM 1082 NH1 ARG A 68 -2.754 5.636 9.832 1.00 0.00 N ATOM 1083 NH2 ARG A 68 -4.369 4.637 8.560 1.00 0.00 N ATOM 0 H ARG A 68 -5.076 10.190 4.110 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.484 7.896 4.773 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.282 8.994 5.752 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.349 9.848 6.850 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.357 7.589 7.509 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.123 6.812 6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.331 7.767 7.904 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.455 8.812 8.750 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.343 6.865 9.969 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.425 6.459 10.337 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.183 4.791 9.807 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.274 4.697 8.094 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.827 3.774 8.512 1.00 0.00 H new ATOM 1097 N GLU A 69 -8.058 10.520 5.800 1.00 0.00 N ATOM 1098 CA GLU A 69 -9.335 10.932 6.442 1.00 0.00 C ATOM 1099 C GLU A 69 -10.534 10.360 5.689 1.00 0.00 C ATOM 1100 O GLU A 69 -11.537 10.021 6.285 1.00 0.00 O ATOM 1101 CB GLU A 69 -9.424 12.466 6.423 1.00 0.00 C ATOM 1102 CG GLU A 69 -8.309 13.046 7.301 1.00 0.00 C ATOM 1103 CD GLU A 69 -8.932 13.831 8.460 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -9.826 13.273 9.074 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -8.478 14.945 8.665 1.00 0.00 O ATOM 0 H GLU A 69 -7.536 11.262 5.334 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.352 10.554 7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.329 12.835 5.402 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.398 12.790 6.790 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.680 12.244 7.687 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.667 13.698 6.709 1.00 0.00 H new ATOM 1112 N ALA A 70 -10.407 10.262 4.394 1.00 0.00 N ATOM 1113 CA ALA A 70 -11.531 9.715 3.589 1.00 0.00 C ATOM 1114 C ALA A 70 -11.357 8.219 3.360 1.00 0.00 C ATOM 1115 O ALA A 70 -12.304 7.460 3.447 1.00 0.00 O ATOM 1116 CB ALA A 70 -11.537 10.421 2.224 1.00 0.00 C ATOM 0 H ALA A 70 -9.580 10.535 3.864 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.465 9.882 4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.355 10.033 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.669 11.493 2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.590 10.238 1.716 1.00 0.00 H new ATOM 1122 N ILE A 71 -10.146 7.824 3.067 1.00 0.00 N ATOM 1123 CA ILE A 71 -9.880 6.383 2.826 1.00 0.00 C ATOM 1124 C ILE A 71 -8.542 5.972 3.422 1.00 0.00 C ATOM 1125 O ILE A 71 -7.506 6.485 3.042 1.00 0.00 O ATOM 1126 CB ILE A 71 -9.831 6.151 1.318 1.00 0.00 C ATOM 1127 CG1 ILE A 71 -11.176 6.500 0.699 1.00 0.00 C ATOM 1128 CG2 ILE A 71 -9.540 4.662 1.058 1.00 0.00 C ATOM 1129 CD1 ILE A 71 -11.040 6.506 -0.825 1.00 0.00 C ATOM 0 H ILE A 71 -9.335 8.437 2.985 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.669 5.793 3.293 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.054 6.777 0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.930 5.776 1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.510 7.476 1.050 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -9.502 4.481 -0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.582 4.395 1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.329 4.054 1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.001 6.756 -1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.297 7.247 -1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -10.725 5.520 -1.166 1.00 0.00 H new ATOM 1141 N ALA A 72 -8.584 5.058 4.346 1.00 0.00 N ATOM 1142 CA ALA A 72 -7.322 4.604 4.976 1.00 0.00 C ATOM 1143 C ALA A 72 -6.743 3.427 4.208 1.00 0.00 C ATOM 1144 O ALA A 72 -5.667 2.951 4.511 1.00 0.00 O ATOM 1145 CB ALA A 72 -7.628 4.155 6.412 1.00 0.00 C ATOM 0 H ALA A 72 -9.433 4.609 4.690 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.601 5.422 4.971 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.709 3.817 6.891 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.044 4.991 6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.348 3.337 6.392 1.00 0.00 H new ATOM 1151 N LYS A 73 -7.471 2.977 3.222 1.00 0.00 N ATOM 1152 CA LYS A 73 -6.984 1.831 2.419 1.00 0.00 C ATOM 1153 C LYS A 73 -7.662 1.782 1.057 1.00 0.00 C ATOM 1154 O LYS A 73 -8.868 1.672 0.961 1.00 0.00 O ATOM 1155 CB LYS A 73 -7.301 0.540 3.184 1.00 0.00 C ATOM 1156 CG LYS A 73 -7.302 -0.639 2.208 1.00 0.00 C ATOM 1157 CD LYS A 73 -7.375 -1.944 3.003 1.00 0.00 C ATOM 1158 CE LYS A 73 -8.843 -2.321 3.221 1.00 0.00 C ATOM 1159 NZ LYS A 73 -9.283 -3.322 2.208 1.00 0.00 N ATOM 0 H LYS A 73 -8.377 3.354 2.943 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.911 1.941 2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.561 0.377 3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.271 0.623 3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.151 -0.564 1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.401 -0.621 1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.859 -2.740 2.466 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.871 -1.828 3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.975 -2.728 4.224 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.467 -1.430 3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.281 -3.566 2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.176 -2.921 1.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.699 -4.179 2.290 1.00 0.00 H new ATOM 1173 N TYR A 74 -6.863 1.867 0.026 1.00 0.00 N ATOM 1174 CA TYR A 74 -7.419 1.828 -1.347 1.00 0.00 C ATOM 1175 C TYR A 74 -7.276 0.445 -1.964 1.00 0.00 C ATOM 1176 O TYR A 74 -6.235 -0.177 -1.860 1.00 0.00 O ATOM 1177 CB TYR A 74 -6.614 2.807 -2.215 1.00 0.00 C ATOM 1178 CG TYR A 74 -6.985 4.242 -1.857 1.00 0.00 C ATOM 1179 CD1 TYR A 74 -6.724 4.738 -0.599 1.00 0.00 C ATOM 1180 CD2 TYR A 74 -7.573 5.066 -2.794 1.00 0.00 C ATOM 1181 CE1 TYR A 74 -7.045 6.040 -0.280 1.00 0.00 C ATOM 1182 CE2 TYR A 74 -7.895 6.368 -2.476 1.00 0.00 C ATOM 1183 CZ TYR A 74 -7.633 6.865 -1.216 1.00 0.00 C ATOM 1184 OH TYR A 74 -7.953 8.169 -0.896 1.00 0.00 O ATOM 0 H TYR A 74 -5.849 1.962 0.081 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.476 2.089 -1.300 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.546 2.649 -2.062 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.816 2.622 -3.270 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.264 4.102 0.143 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.783 4.688 -3.784 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.835 6.417 0.710 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.355 7.003 -3.218 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.359 8.606 -1.673 1.00 0.00 H new ATOM 1194 N ILE A 75 -8.329 -0.014 -2.591 1.00 0.00 N ATOM 1195 CA ILE A 75 -8.283 -1.353 -3.229 1.00 0.00 C ATOM 1196 C ILE A 75 -8.116 -1.184 -4.731 1.00 0.00 C ATOM 1197 O ILE A 75 -8.668 -0.269 -5.308 1.00 0.00 O ATOM 1198 CB ILE A 75 -9.601 -2.076 -2.955 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -9.929 -2.017 -1.471 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -9.437 -3.549 -3.361 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -11.438 -2.178 -1.290 1.00 0.00 C ATOM 0 H ILE A 75 -9.214 0.483 -2.686 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.449 -1.928 -2.826 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.402 -1.601 -3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.399 -2.805 -0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.598 -1.068 -1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.368 -4.084 -3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.192 -3.609 -4.421 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.635 -4.000 -2.777 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.684 -2.137 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.955 -1.374 -1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.753 -3.138 -1.699 1.00 0.00 H new ATOM 1213 N LEU A 76 -7.357 -2.056 -5.342 1.00 0.00 N ATOM 1214 CA LEU A 76 -7.156 -1.936 -6.818 1.00 0.00 C ATOM 1215 C LEU A 76 -7.158 -3.300 -7.497 1.00 0.00 C ATOM 1216 O LEU A 76 -6.976 -4.304 -6.857 1.00 0.00 O ATOM 1217 CB LEU A 76 -5.775 -1.284 -7.043 1.00 0.00 C ATOM 1218 CG LEU A 76 -5.891 -0.163 -8.074 1.00 0.00 C ATOM 1219 CD1 LEU A 76 -6.570 1.046 -7.433 1.00 0.00 C ATOM 1220 CD2 LEU A 76 -4.486 0.234 -8.536 1.00 0.00 C ATOM 0 H LEU A 76 -6.874 -2.834 -4.893 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.968 -1.344 -7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.393 -0.887 -6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.061 -2.033 -7.386 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.480 -0.503 -8.925 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.654 1.848 -8.167 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.565 0.764 -7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.976 1.390 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.558 1.034 -9.273 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.906 0.579 -7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.993 -0.629 -8.984 1.00 0.00 H new ATOM 1232 N TYR A 77 -7.393 -3.298 -8.792 1.00 0.00 N ATOM 1233 CA TYR A 77 -7.411 -4.579 -9.558 1.00 0.00 C ATOM 1234 C TYR A 77 -6.370 -4.485 -10.663 1.00 0.00 C ATOM 1235 O TYR A 77 -6.428 -3.586 -11.482 1.00 0.00 O ATOM 1236 CB TYR A 77 -8.808 -4.767 -10.179 1.00 0.00 C ATOM 1237 CG TYR A 77 -9.800 -5.175 -9.083 1.00 0.00 C ATOM 1238 CD1 TYR A 77 -10.404 -4.217 -8.294 1.00 0.00 C ATOM 1239 CD2 TYR A 77 -10.112 -6.504 -8.875 1.00 0.00 C ATOM 1240 CE1 TYR A 77 -11.305 -4.582 -7.312 1.00 0.00 C ATOM 1241 CE2 TYR A 77 -11.012 -6.869 -7.894 1.00 0.00 C ATOM 1242 CZ TYR A 77 -11.616 -5.910 -7.106 1.00 0.00 C ATOM 1243 OH TYR A 77 -12.519 -6.275 -6.127 1.00 0.00 O ATOM 0 H TYR A 77 -7.573 -2.461 -9.347 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.188 -5.423 -8.906 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.134 -3.842 -10.655 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.773 -5.530 -10.956 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.170 -3.173 -8.445 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.648 -7.265 -9.485 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.769 -3.822 -6.701 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -11.245 -7.912 -7.742 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.620 -7.250 -6.122 1.00 0.00 H new ATOM 1253 N SER A 78 -5.432 -5.416 -10.675 1.00 0.00 N ATOM 1254 CA SER A 78 -4.370 -5.374 -11.737 1.00 0.00 C ATOM 1255 C SER A 78 -4.389 -6.584 -12.668 1.00 0.00 C ATOM 1256 O SER A 78 -4.925 -7.626 -12.350 1.00 0.00 O ATOM 1257 CB SER A 78 -3.008 -5.335 -11.028 1.00 0.00 C ATOM 1258 OG SER A 78 -2.890 -6.617 -10.429 1.00 0.00 O ATOM 0 H SER A 78 -5.359 -6.185 -10.009 1.00 0.00 H new ATOM 0 HA SER A 78 -4.555 -4.495 -12.355 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.198 -5.149 -11.733 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.970 -4.542 -10.281 1.00 0.00 H new ATOM 0 HG SER A 78 -2.036 -6.678 -9.951 1.00 0.00 H new ATOM 1264 N HIS A 79 -3.781 -6.395 -13.817 1.00 0.00 N ATOM 1265 CA HIS A 79 -3.708 -7.478 -14.836 1.00 0.00 C ATOM 1266 C HIS A 79 -2.304 -7.502 -15.438 1.00 0.00 C ATOM 1267 O HIS A 79 -1.649 -6.479 -15.483 1.00 0.00 O ATOM 1268 CB HIS A 79 -4.726 -7.176 -15.949 1.00 0.00 C ATOM 1269 CG HIS A 79 -6.097 -6.923 -15.322 1.00 0.00 C ATOM 1270 ND1 HIS A 79 -7.117 -7.612 -15.533 1.00 0.00 N ATOM 1271 CD2 HIS A 79 -6.491 -5.944 -14.431 1.00 0.00 C ATOM 1272 CE1 HIS A 79 -8.112 -7.181 -14.878 1.00 0.00 C ATOM 1273 NE2 HIS A 79 -7.811 -6.111 -14.140 1.00 0.00 N ATOM 0 H HIS A 79 -3.328 -5.523 -14.090 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.929 -8.441 -14.376 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.409 -6.305 -16.522 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.780 -8.013 -16.645 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -7.145 -8.420 -16.155 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.854 -5.170 -14.029 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -9.094 -7.629 -14.913 1.00 0.00 H new ATOM 1281 N ALA A 80 -1.857 -8.663 -15.884 1.00 0.00 N ATOM 1282 CA ALA A 80 -0.482 -8.733 -16.479 1.00 0.00 C ATOM 1283 C ALA A 80 -0.443 -9.424 -17.854 1.00 0.00 C ATOM 1284 O ALA A 80 -1.165 -10.368 -18.118 1.00 0.00 O ATOM 1285 CB ALA A 80 0.416 -9.522 -15.515 1.00 0.00 C ATOM 0 H ALA A 80 -2.374 -9.542 -15.861 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.139 -7.709 -16.626 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.423 -9.587 -15.927 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.450 -9.014 -14.551 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.013 -10.526 -15.382 1.00 0.00 H new ATOM 1291 N VAL A 81 0.431 -8.926 -18.698 1.00 0.00 N ATOM 1292 CA VAL A 81 0.570 -9.506 -20.067 1.00 0.00 C ATOM 1293 C VAL A 81 2.036 -9.769 -20.365 1.00 0.00 C ATOM 1294 O VAL A 81 2.861 -8.910 -20.175 1.00 0.00 O ATOM 1295 CB VAL A 81 0.040 -8.494 -21.083 1.00 0.00 C ATOM 1296 CG1 VAL A 81 -1.430 -8.804 -21.379 1.00 0.00 C ATOM 1297 CG2 VAL A 81 0.151 -7.086 -20.496 1.00 0.00 C ATOM 0 H VAL A 81 1.053 -8.143 -18.495 1.00 0.00 H new ATOM 0 HA VAL A 81 0.011 -10.440 -20.127 1.00 0.00 H new ATOM 0 HB VAL A 81 0.622 -8.554 -22.003 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.815 -8.086 -22.103 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.514 -9.811 -21.787 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.009 -8.736 -20.458 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.226 -6.360 -21.217 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.437 -7.026 -19.580 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.195 -6.866 -20.272 1.00 0.00 H new ATOM 1307 N SER A 82 2.340 -10.938 -20.842 1.00 0.00 N ATOM 1308 CA SER A 82 3.763 -11.229 -21.142 1.00 0.00 C ATOM 1309 C SER A 82 4.335 -10.213 -22.126 1.00 0.00 C ATOM 1310 O SER A 82 3.736 -9.922 -23.145 1.00 0.00 O ATOM 1311 CB SER A 82 3.876 -12.629 -21.747 1.00 0.00 C ATOM 1312 OG SER A 82 3.137 -12.554 -22.960 1.00 0.00 O ATOM 0 H SER A 82 1.680 -11.691 -21.034 1.00 0.00 H new ATOM 0 HA SER A 82 4.329 -11.170 -20.212 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.916 -12.899 -21.932 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.465 -13.385 -21.078 1.00 0.00 H new ATOM 0 HG SER A 82 2.306 -12.058 -22.807 1.00 0.00 H new ATOM 1318 N SER A 83 5.488 -9.690 -21.804 1.00 0.00 N ATOM 1319 CA SER A 83 6.111 -8.696 -22.709 1.00 0.00 C ATOM 1320 C SER A 83 6.300 -9.272 -24.105 1.00 0.00 C ATOM 1321 O SER A 83 6.854 -8.627 -24.973 1.00 0.00 O ATOM 1322 CB SER A 83 7.488 -8.313 -22.146 1.00 0.00 C ATOM 1323 OG SER A 83 7.863 -7.171 -22.903 1.00 0.00 O ATOM 0 H SER A 83 6.017 -9.909 -20.960 1.00 0.00 H new ATOM 0 HA SER A 83 5.458 -7.826 -22.774 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.435 -8.086 -21.081 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.207 -9.124 -22.264 1.00 0.00 H new ATOM 0 HG SER A 83 7.346 -6.395 -22.602 1.00 0.00 H new ATOM 1329 N ASN A 84 5.835 -10.483 -24.301 1.00 0.00 N ATOM 1330 CA ASN A 84 5.984 -11.113 -25.640 1.00 0.00 C ATOM 1331 C ASN A 84 4.722 -10.926 -26.470 1.00 0.00 C ATOM 1332 O ASN A 84 4.780 -10.877 -27.685 1.00 0.00 O ATOM 1333 CB ASN A 84 6.241 -12.622 -25.451 1.00 0.00 C ATOM 1334 CG ASN A 84 4.955 -13.320 -24.994 1.00 0.00 C ATOM 1335 OD1 ASN A 84 3.932 -13.260 -25.649 1.00 0.00 O ATOM 1336 ND2 ASN A 84 4.967 -14.001 -23.881 1.00 0.00 N ATOM 0 H ASN A 84 5.365 -11.052 -23.597 1.00 0.00 H new ATOM 0 HA ASN A 84 6.817 -10.641 -26.161 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.589 -13.060 -26.386 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.029 -12.775 -24.714 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.122 -14.478 -23.566 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.821 -14.056 -23.326 1.00 0.00 H new ATOM 1343 N GLY A 85 3.601 -10.820 -25.798 1.00 0.00 N ATOM 1344 CA GLY A 85 2.309 -10.634 -26.526 1.00 0.00 C ATOM 1345 C GLY A 85 1.289 -11.680 -26.073 1.00 0.00 C ATOM 1346 O GLY A 85 0.192 -11.742 -26.595 1.00 0.00 O ATOM 0 H GLY A 85 3.526 -10.854 -24.781 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.920 -9.633 -26.341 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.474 -10.718 -27.600 1.00 0.00 H new ATOM 1350 N GLU A 86 1.673 -12.479 -25.107 1.00 0.00 N ATOM 1351 CA GLU A 86 0.743 -13.525 -24.604 1.00 0.00 C ATOM 1352 C GLU A 86 0.067 -13.072 -23.318 1.00 0.00 C ATOM 1353 O GLU A 86 0.703 -12.539 -22.427 1.00 0.00 O ATOM 1354 CB GLU A 86 1.551 -14.801 -24.324 1.00 0.00 C ATOM 1355 CG GLU A 86 1.832 -15.513 -25.651 1.00 0.00 C ATOM 1356 CD GLU A 86 2.845 -16.637 -25.421 1.00 0.00 C ATOM 1357 OE1 GLU A 86 2.837 -17.156 -24.317 1.00 0.00 O ATOM 1358 OE2 GLU A 86 3.570 -16.914 -26.363 1.00 0.00 O ATOM 0 H GLU A 86 2.585 -12.449 -24.651 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.026 -13.710 -25.354 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.487 -14.552 -23.824 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.997 -15.458 -23.654 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.908 -15.920 -26.061 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.219 -14.803 -26.382 1.00 0.00 H new ATOM 1365 N ALA A 87 -1.216 -13.292 -23.248 1.00 0.00 N ATOM 1366 CA ALA A 87 -1.965 -12.887 -22.036 1.00 0.00 C ATOM 1367 C ALA A 87 -1.627 -13.765 -20.830 1.00 0.00 C ATOM 1368 O ALA A 87 -1.775 -14.971 -20.872 1.00 0.00 O ATOM 1369 CB ALA A 87 -3.468 -13.020 -22.338 1.00 0.00 C ATOM 0 H ALA A 87 -1.774 -13.734 -23.979 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.690 -11.862 -21.788 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.043 -12.727 -21.460 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.730 -12.373 -23.175 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.698 -14.054 -22.594 1.00 0.00 H new ATOM 1375 N VAL A 88 -1.178 -13.131 -19.774 1.00 0.00 N ATOM 1376 CA VAL A 88 -0.820 -13.883 -18.543 1.00 0.00 C ATOM 1377 C VAL A 88 -1.342 -13.110 -17.358 1.00 0.00 C ATOM 1378 O VAL A 88 -0.847 -13.219 -16.253 1.00 0.00 O ATOM 1379 CB VAL A 88 0.719 -13.990 -18.436 1.00 0.00 C ATOM 1380 CG1 VAL A 88 1.278 -14.593 -19.723 1.00 0.00 C ATOM 1381 CG2 VAL A 88 1.322 -12.596 -18.242 1.00 0.00 C ATOM 0 H VAL A 88 -1.046 -12.121 -19.717 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.250 -14.884 -18.571 1.00 0.00 H new ATOM 0 HB VAL A 88 0.974 -14.623 -17.586 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.363 -14.669 -19.648 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.855 -15.586 -19.873 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.016 -13.955 -20.567 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.406 -12.676 -18.167 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.062 -11.966 -19.093 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.927 -12.153 -17.328 1.00 0.00 H new ATOM 1391 N GLU A 89 -2.363 -12.348 -17.623 1.00 0.00 N ATOM 1392 CA GLU A 89 -2.974 -11.531 -16.565 1.00 0.00 C ATOM 1393 C GLU A 89 -3.886 -12.336 -15.666 1.00 0.00 C ATOM 1394 O GLU A 89 -4.460 -13.328 -16.069 1.00 0.00 O ATOM 1395 CB GLU A 89 -3.822 -10.446 -17.248 1.00 0.00 C ATOM 1396 CG GLU A 89 -4.300 -10.973 -18.606 1.00 0.00 C ATOM 1397 CD GLU A 89 -5.569 -10.227 -19.021 1.00 0.00 C ATOM 1398 OE1 GLU A 89 -6.449 -10.147 -18.180 1.00 0.00 O ATOM 1399 OE2 GLU A 89 -5.589 -9.780 -20.156 1.00 0.00 O ATOM 0 H GLU A 89 -2.799 -12.262 -18.541 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.175 -11.118 -15.949 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.676 -10.185 -16.623 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.235 -9.537 -17.381 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.522 -10.835 -19.357 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.497 -12.043 -18.544 1.00 0.00 H new ATOM 1406 N ASP A 90 -3.996 -11.878 -14.455 1.00 0.00 N ATOM 1407 CA ASP A 90 -4.854 -12.562 -13.473 1.00 0.00 C ATOM 1408 C ASP A 90 -5.558 -11.504 -12.610 1.00 0.00 C ATOM 1409 O ASP A 90 -4.904 -10.672 -12.015 1.00 0.00 O ATOM 1410 CB ASP A 90 -3.962 -13.424 -12.565 1.00 0.00 C ATOM 1411 CG ASP A 90 -3.580 -14.707 -13.303 1.00 0.00 C ATOM 1412 OD1 ASP A 90 -2.783 -14.586 -14.218 1.00 0.00 O ATOM 1413 OD2 ASP A 90 -4.107 -15.735 -12.910 1.00 0.00 O ATOM 0 H ASP A 90 -3.519 -11.047 -14.105 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.592 -13.182 -13.982 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.065 -12.871 -12.286 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.488 -13.665 -11.642 1.00 0.00 H new ATOM 1418 N PRO A 91 -6.883 -11.538 -12.555 1.00 0.00 N ATOM 1419 CA PRO A 91 -7.616 -10.567 -11.759 1.00 0.00 C ATOM 1420 C PRO A 91 -7.128 -10.576 -10.304 1.00 0.00 C ATOM 1421 O PRO A 91 -7.703 -11.220 -9.448 1.00 0.00 O ATOM 1422 CB PRO A 91 -9.104 -11.009 -11.859 1.00 0.00 C ATOM 1423 CG PRO A 91 -9.153 -12.242 -12.813 1.00 0.00 C ATOM 1424 CD PRO A 91 -7.708 -12.540 -13.248 1.00 0.00 C ATOM 0 HA PRO A 91 -7.473 -9.547 -12.117 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.496 -11.267 -10.875 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.722 -10.198 -12.245 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.587 -13.104 -12.306 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.780 -12.033 -13.680 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.414 -13.552 -12.971 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.598 -12.461 -14.330 1.00 0.00 H new ATOM 1432 N MET A 92 -6.054 -9.859 -10.063 1.00 0.00 N ATOM 1433 CA MET A 92 -5.497 -9.800 -8.687 1.00 0.00 C ATOM 1434 C MET A 92 -5.890 -8.502 -8.014 1.00 0.00 C ATOM 1435 O MET A 92 -5.868 -7.448 -8.630 1.00 0.00 O ATOM 1436 CB MET A 92 -3.962 -9.869 -8.773 1.00 0.00 C ATOM 1437 CG MET A 92 -3.453 -10.930 -7.790 1.00 0.00 C ATOM 1438 SD MET A 92 -3.681 -12.667 -8.248 1.00 0.00 S ATOM 1439 CE MET A 92 -4.371 -13.232 -6.671 1.00 0.00 C ATOM 0 H MET A 92 -5.546 -9.317 -10.762 1.00 0.00 H new ATOM 0 HA MET A 92 -5.889 -10.635 -8.106 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.653 -10.118 -9.788 1.00 0.00 H new ATOM 0 HB3 MET A 92 -3.528 -8.898 -8.536 1.00 0.00 H new ATOM 0 HG2 MET A 92 -2.388 -10.760 -7.633 1.00 0.00 H new ATOM 0 HG3 MET A 92 -3.947 -10.766 -6.832 1.00 0.00 H new ATOM 0 HE1 MET A 92 -4.590 -14.298 -6.731 1.00 0.00 H new ATOM 0 HE2 MET A 92 -3.650 -13.054 -5.874 1.00 0.00 H new ATOM 0 HE3 MET A 92 -5.289 -12.684 -6.459 1.00 0.00 H new ATOM 1449 N GLU A 93 -6.240 -8.596 -6.759 1.00 0.00 N ATOM 1450 CA GLU A 93 -6.640 -7.380 -6.022 1.00 0.00 C ATOM 1451 C GLU A 93 -5.484 -6.818 -5.205 1.00 0.00 C ATOM 1452 O GLU A 93 -4.980 -7.461 -4.307 1.00 0.00 O ATOM 1453 CB GLU A 93 -7.784 -7.749 -5.069 1.00 0.00 C ATOM 1454 CG GLU A 93 -7.932 -9.269 -5.024 1.00 0.00 C ATOM 1455 CD GLU A 93 -9.111 -9.631 -4.118 1.00 0.00 C ATOM 1456 OE1 GLU A 93 -9.876 -8.722 -3.839 1.00 0.00 O ATOM 1457 OE2 GLU A 93 -9.180 -10.794 -3.757 1.00 0.00 O ATOM 0 H GLU A 93 -6.264 -9.462 -6.221 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.950 -6.622 -6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.580 -7.362 -4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.714 -7.291 -5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.095 -9.661 -6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.016 -9.725 -4.649 1.00 0.00 H new ATOM 1464 N ILE A 94 -5.086 -5.624 -5.536 1.00 0.00 N ATOM 1465 CA ILE A 94 -3.972 -4.993 -4.800 1.00 0.00 C ATOM 1466 C ILE A 94 -4.504 -4.217 -3.598 1.00 0.00 C ATOM 1467 O ILE A 94 -5.395 -3.393 -3.732 1.00 0.00 O ATOM 1468 CB ILE A 94 -3.259 -4.024 -5.757 1.00 0.00 C ATOM 1469 CG1 ILE A 94 -2.126 -4.748 -6.469 1.00 0.00 C ATOM 1470 CG2 ILE A 94 -2.671 -2.841 -4.953 1.00 0.00 C ATOM 1471 CD1 ILE A 94 -1.763 -3.982 -7.741 1.00 0.00 C ATOM 0 H ILE A 94 -5.488 -5.061 -6.286 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.284 -5.759 -4.441 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.977 -3.654 -6.489 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.258 -4.823 -5.814 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.427 -5.766 -6.716 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.166 -2.155 -5.633 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.475 -2.315 -4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.957 -3.218 -4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.951 -4.496 -8.256 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.633 -3.931 -8.396 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.445 -2.973 -7.480 1.00 0.00 H new ATOM 1483 N VAL A 95 -3.951 -4.504 -2.444 1.00 0.00 N ATOM 1484 CA VAL A 95 -4.400 -3.802 -1.216 1.00 0.00 C ATOM 1485 C VAL A 95 -3.423 -2.693 -0.869 1.00 0.00 C ATOM 1486 O VAL A 95 -2.315 -2.957 -0.453 1.00 0.00 O ATOM 1487 CB VAL A 95 -4.428 -4.815 -0.059 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -4.339 -4.060 1.271 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -5.741 -5.599 -0.107 1.00 0.00 C ATOM 0 H VAL A 95 -3.211 -5.193 -2.306 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.389 -3.374 -1.379 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.587 -5.502 -0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.358 -4.772 2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.410 -3.491 1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.185 -3.379 1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.765 -6.318 0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.580 -4.910 -0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.814 -6.128 -1.057 1.00 0.00 H new ATOM 1499 N ILE A 96 -3.854 -1.470 -1.043 1.00 0.00 N ATOM 1500 CA ILE A 96 -2.964 -0.320 -0.729 1.00 0.00 C ATOM 1501 C ILE A 96 -3.414 0.400 0.535 1.00 0.00 C ATOM 1502 O ILE A 96 -4.488 0.948 0.584 1.00 0.00 O ATOM 1503 CB ILE A 96 -3.028 0.662 -1.901 1.00 0.00 C ATOM 1504 CG1 ILE A 96 -2.236 0.108 -3.080 1.00 0.00 C ATOM 1505 CG2 ILE A 96 -2.394 1.992 -1.461 1.00 0.00 C ATOM 1506 CD1 ILE A 96 -2.965 0.451 -4.381 1.00 0.00 C ATOM 0 H ILE A 96 -4.781 -1.222 -1.388 1.00 0.00 H new ATOM 0 HA ILE A 96 -1.951 -0.690 -0.570 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.066 0.811 -2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.231 0.531 -3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.126 -0.972 -2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.432 2.704 -2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.944 2.393 -0.610 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.356 1.823 -1.175 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.403 0.057 -5.228 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.960 0.007 -4.368 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.052 1.533 -4.475 1.00 0.00 H new ATOM 1518 N THR A 97 -2.578 0.381 1.537 1.00 0.00 N ATOM 1519 CA THR A 97 -2.941 1.061 2.804 1.00 0.00 C ATOM 1520 C THR A 97 -2.398 2.487 2.814 1.00 0.00 C ATOM 1521 O THR A 97 -1.386 2.766 2.212 1.00 0.00 O ATOM 1522 CB THR A 97 -2.320 0.281 3.971 1.00 0.00 C ATOM 1523 OG1 THR A 97 -3.114 0.600 5.096 1.00 0.00 O ATOM 1524 CG2 THR A 97 -0.925 0.823 4.320 1.00 0.00 C ATOM 0 H THR A 97 -1.665 -0.074 1.530 1.00 0.00 H new ATOM 0 HA THR A 97 -4.026 1.096 2.898 1.00 0.00 H new ATOM 0 HB THR A 97 -2.263 -0.777 3.715 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.770 0.129 5.883 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.510 0.251 5.150 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.271 0.731 3.453 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.003 1.872 4.605 1.00 0.00 H new ATOM 1532 N VAL A 98 -3.080 3.367 3.492 1.00 0.00 N ATOM 1533 CA VAL A 98 -2.596 4.772 3.534 1.00 0.00 C ATOM 1534 C VAL A 98 -1.648 4.993 4.706 1.00 0.00 C ATOM 1535 O VAL A 98 -1.761 4.345 5.729 1.00 0.00 O ATOM 1536 CB VAL A 98 -3.805 5.707 3.690 1.00 0.00 C ATOM 1537 CG1 VAL A 98 -3.311 7.152 3.763 1.00 0.00 C ATOM 1538 CG2 VAL A 98 -4.717 5.554 2.473 1.00 0.00 C ATOM 0 H VAL A 98 -3.938 3.178 4.011 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.058 4.982 2.610 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.353 5.455 4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.163 7.823 3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.646 7.266 4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.772 7.399 2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.577 6.215 2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.166 5.816 1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.059 4.522 2.402 1.00 0.00 H new ATOM 1548 N THR A 99 -0.725 5.910 4.527 1.00 0.00 N ATOM 1549 CA THR A 99 0.255 6.207 5.609 1.00 0.00 C ATOM 1550 C THR A 99 0.336 7.703 5.869 1.00 0.00 C ATOM 1551 O THR A 99 0.135 8.502 4.977 1.00 0.00 O ATOM 1552 CB THR A 99 1.633 5.719 5.153 1.00 0.00 C ATOM 1553 OG1 THR A 99 1.375 4.750 4.158 1.00 0.00 O ATOM 1554 CG2 THR A 99 2.338 4.946 6.276 1.00 0.00 C ATOM 0 H THR A 99 -0.612 6.463 3.677 1.00 0.00 H new ATOM 0 HA THR A 99 -0.062 5.707 6.524 1.00 0.00 H new ATOM 0 HB THR A 99 2.240 6.567 4.836 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.218 4.484 3.734 1.00 0.00 H new ATOM 0 HG21 THR A 99 3.315 4.609 5.928 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.465 5.597 7.141 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.735 4.082 6.557 1.00 0.00 H new ATOM 1562 N ASP A 100 0.632 8.057 7.088 1.00 0.00 N ATOM 1563 CA ASP A 100 0.728 9.496 7.425 1.00 0.00 C ATOM 1564 C ASP A 100 1.519 10.248 6.360 1.00 0.00 C ATOM 1565 O ASP A 100 2.292 9.663 5.627 1.00 0.00 O ATOM 1566 CB ASP A 100 1.452 9.629 8.772 1.00 0.00 C ATOM 1567 CG ASP A 100 2.071 11.024 8.882 1.00 0.00 C ATOM 1568 OD1 ASP A 100 1.291 11.961 8.928 1.00 0.00 O ATOM 1569 OD2 ASP A 100 3.290 11.074 8.914 1.00 0.00 O ATOM 0 H ASP A 100 0.810 7.413 7.859 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.275 9.920 7.477 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.752 9.464 9.591 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.227 8.868 8.857 1.00 0.00 H new ATOM 1574 N GLN A 101 1.312 11.534 6.296 1.00 0.00 N ATOM 1575 CA GLN A 101 2.040 12.337 5.289 1.00 0.00 C ATOM 1576 C GLN A 101 3.396 12.777 5.818 1.00 0.00 C ATOM 1577 O GLN A 101 3.859 12.288 6.829 1.00 0.00 O ATOM 1578 CB GLN A 101 1.208 13.587 4.975 1.00 0.00 C ATOM 1579 CG GLN A 101 0.176 13.793 6.084 1.00 0.00 C ATOM 1580 CD GLN A 101 -0.443 15.183 5.944 1.00 0.00 C ATOM 1581 OE1 GLN A 101 -1.622 15.376 6.169 1.00 0.00 O ATOM 1582 NE2 GLN A 101 0.316 16.180 5.575 1.00 0.00 N ATOM 0 H GLN A 101 0.673 12.056 6.896 1.00 0.00 H new ATOM 0 HA GLN A 101 2.194 11.729 4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.856 14.460 4.897 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.708 13.474 4.013 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -0.599 13.029 6.022 1.00 0.00 H new ATOM 0 HG3 GLN A 101 0.649 13.689 7.061 1.00 0.00 H new ATOM 0 HE21 GLN A 101 1.306 16.024 5.385 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -0.081 17.114 5.477 1.00 0.00 H new ATOM 1591 N ASN A 102 4.003 13.696 5.116 1.00 0.00 N ATOM 1592 CA ASN A 102 5.333 14.199 5.543 1.00 0.00 C ATOM 1593 C ASN A 102 5.202 15.570 6.190 1.00 0.00 C ATOM 1594 O ASN A 102 6.018 16.443 5.973 1.00 0.00 O ATOM 1595 CB ASN A 102 6.217 14.324 4.294 1.00 0.00 C ATOM 1596 CG ASN A 102 6.506 12.928 3.737 1.00 0.00 C ATOM 1597 OD1 ASN A 102 6.306 12.661 2.569 1.00 0.00 O ATOM 1598 ND2 ASN A 102 6.975 12.010 4.537 1.00 0.00 N ATOM 0 H ASN A 102 3.632 14.118 4.265 1.00 0.00 H new ATOM 0 HA ASN A 102 5.768 13.510 6.267 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.717 14.933 3.540 1.00 0.00 H new ATOM 0 HB3 ASN A 102 7.150 14.829 4.544 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.171 11.075 4.180 1.00 0.00 H new ATOM 0 HD22 ASN A 102 7.145 12.228 5.519 1.00 0.00 H new ATOM 1605 N ASP A 103 4.174 15.735 6.973 1.00 0.00 N ATOM 1606 CA ASP A 103 3.968 17.041 7.644 1.00 0.00 C ATOM 1607 C ASP A 103 5.086 17.326 8.643 1.00 0.00 C ATOM 1608 O ASP A 103 5.706 18.370 8.601 1.00 0.00 O ATOM 1609 CB ASP A 103 2.634 16.986 8.400 1.00 0.00 C ATOM 1610 CG ASP A 103 2.595 15.722 9.262 1.00 0.00 C ATOM 1611 OD1 ASP A 103 2.519 14.663 8.663 1.00 0.00 O ATOM 1612 OD2 ASP A 103 2.644 15.888 10.469 1.00 0.00 O ATOM 0 H ASP A 103 3.472 15.023 7.175 1.00 0.00 H new ATOM 0 HA ASP A 103 3.966 17.831 6.893 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.521 17.871 9.026 1.00 0.00 H new ATOM 0 HB3 ASP A 103 1.803 16.985 7.695 1.00 0.00 H new ATOM 1617 N ASN A 104 5.323 16.391 9.523 1.00 0.00 N ATOM 1618 CA ASN A 104 6.397 16.593 10.530 1.00 0.00 C ATOM 1619 C ASN A 104 6.241 17.945 11.222 1.00 0.00 C ATOM 1620 O ASN A 104 7.151 18.283 11.960 1.00 0.00 O ATOM 1621 CB ASN A 104 7.753 16.559 9.808 1.00 0.00 C ATOM 1622 CG ASN A 104 8.870 16.847 10.814 1.00 0.00 C ATOM 1623 OD1 ASN A 104 8.806 16.310 12.002 1.00 0.00 O flip ATOM 1624 ND2 ASN A 104 9.808 17.564 10.529 1.00 0.00 N flip ATOM 1625 OXT ASN A 104 5.219 18.566 10.974 1.00 0.00 O ATOM 0 H ASN A 104 4.823 15.504 9.586 1.00 0.00 H new ATOM 0 HA ASN A 104 6.335 15.806 11.281 1.00 0.00 H new ATOM 0 HB2 ASN A 104 7.907 15.584 9.345 1.00 0.00 H new ATOM 0 HB3 ASN A 104 7.770 17.298 9.007 1.00 0.00 H new ATOM 0 HD21 ASN A 104 9.864 17.987 9.602 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.540 17.744 11.216 1.00 0.00 H new TER 1632 ASN A 104