USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 857 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 27 GLN : amide:sc= -2.98 K(o=-5.4,f=-1.1) USER MOD Set 1.2: A 44 ASN : amide:sc= -2.4 K(o=-5.4,f=-9!) USER MOD Set 2.1: A 36 SER OG : rot -120:sc= 0.471 USER MOD Set 2.2: A 38 GLN : amide:sc= 0.506 X(o=0.98,f=0.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.31 (180deg=0.504) USER MOD Single : A 2 SER OG : rot -4:sc= 0.457 USER MOD Single : A 3 GLN : amide:sc= -1.82! C(o=-1.8!,f=-7.3!) USER MOD Single : A 5 LYS NZ :NH3+ -143:sc= -0.051 (180deg=-0.262) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 151:sc= -0.924! (180deg=-2.22!) USER MOD Single : A 17 THR OG1 : rot -140:sc=-0.00233 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=-0.0093) USER MOD Single : A 43 SER OG : rot 160:sc= -2.88! USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0.00433 USER MOD Single : A 55 SER OG : rot 150:sc= 0 USER MOD Single : A 62 HIS : no HE2:sc= 0.937 K(o=0.94,f=-6!) USER MOD Single : A 63 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.23) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -159:sc= -0.104 (180deg=-0.558) USER MOD Single : A 75 GLN : amide:sc= 1.3 K(o=1.3,f=-7.8!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot 111:sc= 1.24 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0.251 K(o=0.25,f=-0.59) USER MOD Single : A 91 SER OG : rot 90:sc= -1.05! USER MOD Single : A 93 LYS NZ :NH3+ 158:sc= 1.13 (180deg=0.745) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 1.21 K(o=1.2,f=-10!) USER MOD Single : A 110 SER OG : rot 180:sc= -0.0218 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.061 8.152 12.726 1.00 0.00 N ATOM 2 CA MET A 1 -16.739 8.218 11.282 1.00 0.00 C ATOM 3 C MET A 1 -15.849 7.049 10.891 1.00 0.00 C ATOM 4 O MET A 1 -15.126 6.502 11.724 1.00 0.00 O ATOM 5 CB MET A 1 -16.022 9.528 10.932 1.00 0.00 C ATOM 6 CG MET A 1 -16.853 10.784 11.141 1.00 0.00 C ATOM 7 SD MET A 1 -17.170 11.134 12.881 1.00 0.00 S ATOM 8 CE MET A 1 -18.005 12.713 12.752 1.00 0.00 C ATOM 0 H1 MET A 1 -17.398 9.081 13.049 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.803 7.441 12.884 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.209 7.888 13.260 1.00 0.00 H new ATOM 0 HA MET A 1 -17.679 8.172 10.731 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.117 9.603 11.535 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.707 9.486 9.889 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.337 11.633 10.693 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.803 10.676 10.618 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.269 13.067 13.748 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.345 13.436 12.273 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.910 12.598 12.156 1.00 0.00 H new ATOM 17 N SER A 2 -15.911 6.652 9.633 1.00 0.00 N ATOM 18 CA SER A 2 -15.003 5.646 9.112 1.00 0.00 C ATOM 19 C SER A 2 -14.703 5.917 7.647 1.00 0.00 C ATOM 20 O SER A 2 -13.543 6.042 7.257 1.00 0.00 O ATOM 21 CB SER A 2 -15.591 4.242 9.277 1.00 0.00 C ATOM 22 OG SER A 2 -15.812 3.933 10.644 1.00 0.00 O ATOM 0 H SER A 2 -16.581 7.011 8.953 1.00 0.00 H new ATOM 0 HA SER A 2 -14.075 5.698 9.681 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.531 4.173 8.730 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.913 3.508 8.841 1.00 0.00 H new ATOM 0 HG SER A 2 -15.485 4.669 11.203 1.00 0.00 H new ATOM 28 N GLN A 3 -15.765 6.048 6.860 1.00 0.00 N ATOM 29 CA GLN A 3 -15.657 6.189 5.416 1.00 0.00 C ATOM 30 C GLN A 3 -14.955 4.979 4.805 1.00 0.00 C ATOM 31 O GLN A 3 -13.754 5.000 4.538 1.00 0.00 O ATOM 32 CB GLN A 3 -14.946 7.496 5.028 1.00 0.00 C ATOM 33 CG GLN A 3 -14.744 7.681 3.525 1.00 0.00 C ATOM 34 CD GLN A 3 -16.044 7.706 2.734 1.00 0.00 C ATOM 35 OE1 GLN A 3 -17.039 7.093 3.115 1.00 0.00 O ATOM 36 NE2 GLN A 3 -16.039 8.412 1.617 1.00 0.00 N ATOM 0 H GLN A 3 -16.724 6.059 7.207 1.00 0.00 H new ATOM 0 HA GLN A 3 -16.668 6.236 5.011 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -15.523 8.337 5.411 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -13.974 7.526 5.520 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.205 8.612 3.351 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -14.115 6.874 3.149 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -15.195 8.908 1.331 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -16.879 8.461 1.041 1.00 0.00 H new ATOM 45 N TRP A 4 -15.711 3.905 4.640 1.00 0.00 N ATOM 46 CA TRP A 4 -15.228 2.739 3.921 1.00 0.00 C ATOM 47 C TRP A 4 -15.609 2.870 2.459 1.00 0.00 C ATOM 48 O TRP A 4 -16.701 2.470 2.057 1.00 0.00 O ATOM 49 CB TRP A 4 -15.816 1.442 4.489 1.00 0.00 C ATOM 50 CG TRP A 4 -15.265 1.044 5.825 1.00 0.00 C ATOM 51 CD1 TRP A 4 -15.842 1.245 7.047 1.00 0.00 C ATOM 52 CD2 TRP A 4 -14.031 0.360 6.071 1.00 0.00 C ATOM 53 NE1 TRP A 4 -15.041 0.727 8.037 1.00 0.00 N ATOM 54 CE2 TRP A 4 -13.923 0.181 7.463 1.00 0.00 C ATOM 55 CE3 TRP A 4 -13.005 -0.117 5.248 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -12.831 -0.459 8.047 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -11.922 -0.748 5.830 1.00 0.00 C ATOM 58 CH2 TRP A 4 -11.843 -0.914 7.218 1.00 0.00 C ATOM 0 H TRP A 4 -16.663 3.818 4.995 1.00 0.00 H new ATOM 0 HA TRP A 4 -14.145 2.691 4.031 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -16.897 1.555 4.574 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -15.635 0.634 3.780 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -16.789 1.738 7.211 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -15.246 0.746 9.036 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -13.058 0.006 4.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -12.767 -0.591 9.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -11.124 -1.119 5.204 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -10.984 -1.412 7.643 1.00 0.00 H new ATOM 69 N LYS A 5 -14.737 3.467 1.667 1.00 0.00 N ATOM 70 CA LYS A 5 -15.054 3.686 0.271 1.00 0.00 C ATOM 71 C LYS A 5 -14.495 2.571 -0.590 1.00 0.00 C ATOM 72 O LYS A 5 -13.328 2.198 -0.459 1.00 0.00 O ATOM 73 CB LYS A 5 -14.529 5.032 -0.224 1.00 0.00 C ATOM 74 CG LYS A 5 -15.022 5.360 -1.623 1.00 0.00 C ATOM 75 CD LYS A 5 -14.403 6.627 -2.178 1.00 0.00 C ATOM 76 CE LYS A 5 -15.011 6.979 -3.527 1.00 0.00 C ATOM 77 NZ LYS A 5 -14.921 5.851 -4.497 1.00 0.00 N ATOM 0 H LYS A 5 -13.820 3.803 1.961 1.00 0.00 H new ATOM 0 HA LYS A 5 -16.141 3.692 0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.843 5.818 0.464 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.439 5.020 -0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.795 4.527 -2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.107 5.467 -1.606 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.557 7.449 -1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.326 6.495 -2.283 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -16.056 7.256 -3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.501 7.850 -3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.734 6.226 -5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.148 5.214 -4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.818 5.325 -4.502 1.00 0.00 H new ATOM 91 N ASP A 6 -15.340 2.036 -1.457 1.00 0.00 N ATOM 92 CA ASP A 6 -14.916 1.023 -2.405 1.00 0.00 C ATOM 93 C ASP A 6 -14.047 1.654 -3.482 1.00 0.00 C ATOM 94 O ASP A 6 -14.318 2.764 -3.950 1.00 0.00 O ATOM 95 CB ASP A 6 -16.126 0.324 -3.042 1.00 0.00 C ATOM 96 CG ASP A 6 -16.942 1.237 -3.938 1.00 0.00 C ATOM 97 OD1 ASP A 6 -17.711 2.065 -3.406 1.00 0.00 O ATOM 98 OD2 ASP A 6 -16.828 1.127 -5.176 1.00 0.00 O ATOM 0 H ASP A 6 -16.326 2.289 -1.522 1.00 0.00 H new ATOM 0 HA ASP A 6 -14.335 0.272 -1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -15.779 -0.530 -3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.768 -0.068 -2.253 1.00 0.00 H new ATOM 103 N ILE A 7 -12.983 0.966 -3.839 1.00 0.00 N ATOM 104 CA ILE A 7 -12.090 1.432 -4.883 1.00 0.00 C ATOM 105 C ILE A 7 -12.367 0.667 -6.163 1.00 0.00 C ATOM 106 O ILE A 7 -12.867 1.213 -7.145 1.00 0.00 O ATOM 107 CB ILE A 7 -10.610 1.230 -4.498 1.00 0.00 C ATOM 108 CG1 ILE A 7 -10.334 1.763 -3.090 1.00 0.00 C ATOM 109 CG2 ILE A 7 -9.705 1.905 -5.515 1.00 0.00 C ATOM 110 CD1 ILE A 7 -10.672 3.227 -2.911 1.00 0.00 C ATOM 0 H ILE A 7 -12.713 0.076 -3.420 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.270 2.498 -5.023 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.397 0.161 -4.499 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.908 1.177 -2.372 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.280 1.612 -2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.663 1.755 -5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.879 1.473 -6.500 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.923 2.973 -5.544 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.449 3.529 -1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.079 3.825 -3.604 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.732 3.383 -3.112 1.00 0.00 H new ATOM 122 N CYS A 8 -12.047 -0.610 -6.121 1.00 0.00 N ATOM 123 CA CYS A 8 -12.259 -1.509 -7.232 1.00 0.00 C ATOM 124 C CYS A 8 -12.372 -2.922 -6.692 1.00 0.00 C ATOM 125 O CYS A 8 -12.189 -3.144 -5.495 1.00 0.00 O ATOM 126 CB CYS A 8 -11.102 -1.407 -8.229 1.00 0.00 C ATOM 127 SG CYS A 8 -9.474 -1.712 -7.501 1.00 0.00 S ATOM 0 H CYS A 8 -11.628 -1.056 -5.305 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.176 -1.240 -7.756 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.267 -2.121 -9.036 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.108 -0.413 -8.676 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.561 -1.606 -8.420 1.00 0.00 H new ATOM 133 N LYS A 9 -12.674 -3.870 -7.551 1.00 0.00 N ATOM 134 CA LYS A 9 -12.737 -5.255 -7.132 1.00 0.00 C ATOM 135 C LYS A 9 -11.333 -5.793 -6.910 1.00 0.00 C ATOM 136 O LYS A 9 -10.370 -5.306 -7.503 1.00 0.00 O ATOM 137 CB LYS A 9 -13.457 -6.103 -8.175 1.00 0.00 C ATOM 138 CG LYS A 9 -14.898 -5.692 -8.403 1.00 0.00 C ATOM 139 CD LYS A 9 -15.548 -6.513 -9.505 1.00 0.00 C ATOM 140 CE LYS A 9 -15.166 -6.026 -10.902 1.00 0.00 C ATOM 141 NZ LYS A 9 -13.738 -6.283 -11.252 1.00 0.00 N ATOM 0 H LYS A 9 -12.879 -3.711 -8.537 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.296 -5.307 -6.198 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.916 -6.039 -9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.431 -7.147 -7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.462 -5.813 -7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.938 -4.635 -8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.256 -7.557 -9.396 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.631 -6.472 -9.393 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.806 -6.516 -11.636 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.362 -4.956 -10.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.649 -6.404 -12.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.155 -5.478 -10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.413 -7.147 -10.773 1.00 0.00 H new ATOM 155 N ILE A 10 -11.219 -6.799 -6.060 1.00 0.00 N ATOM 156 CA ILE A 10 -9.942 -7.456 -5.835 1.00 0.00 C ATOM 157 C ILE A 10 -9.590 -8.301 -7.060 1.00 0.00 C ATOM 158 O ILE A 10 -8.468 -8.772 -7.223 1.00 0.00 O ATOM 159 CB ILE A 10 -9.977 -8.327 -4.561 1.00 0.00 C ATOM 160 CG1 ILE A 10 -8.564 -8.761 -4.171 1.00 0.00 C ATOM 161 CG2 ILE A 10 -10.877 -9.543 -4.755 1.00 0.00 C ATOM 162 CD1 ILE A 10 -8.495 -9.418 -2.814 1.00 0.00 C ATOM 0 H ILE A 10 -11.993 -7.178 -5.515 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.175 -6.696 -5.686 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.391 -7.727 -3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.184 -9.453 -4.922 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.909 -7.890 -4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -10.884 -10.140 -3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.891 -9.213 -4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.500 -10.147 -5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.465 -9.702 -2.599 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.846 -8.720 -2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.125 -10.308 -2.808 1.00 0.00 H new ATOM 174 N ASP A 11 -10.582 -8.463 -7.924 1.00 0.00 N ATOM 175 CA ASP A 11 -10.419 -9.136 -9.205 1.00 0.00 C ATOM 176 C ASP A 11 -9.522 -8.316 -10.132 1.00 0.00 C ATOM 177 O ASP A 11 -8.824 -8.860 -10.986 1.00 0.00 O ATOM 178 CB ASP A 11 -11.800 -9.346 -9.835 1.00 0.00 C ATOM 179 CG ASP A 11 -11.746 -9.828 -11.270 1.00 0.00 C ATOM 180 OD1 ASP A 11 -11.424 -11.013 -11.496 1.00 0.00 O ATOM 181 OD2 ASP A 11 -12.052 -9.024 -12.176 1.00 0.00 O ATOM 0 H ASP A 11 -11.530 -8.128 -7.754 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.941 -10.103 -9.050 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.356 -10.069 -9.238 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.354 -8.408 -9.796 1.00 0.00 H new ATOM 186 N ASP A 12 -9.534 -7.000 -9.934 1.00 0.00 N ATOM 187 CA ASP A 12 -8.748 -6.083 -10.755 1.00 0.00 C ATOM 188 C ASP A 12 -7.279 -6.107 -10.343 1.00 0.00 C ATOM 189 O ASP A 12 -6.383 -5.881 -11.160 1.00 0.00 O ATOM 190 CB ASP A 12 -9.291 -4.656 -10.623 1.00 0.00 C ATOM 191 CG ASP A 12 -10.723 -4.518 -11.100 1.00 0.00 C ATOM 192 OD1 ASP A 12 -11.650 -4.915 -10.359 1.00 0.00 O ATOM 193 OD2 ASP A 12 -10.939 -3.999 -12.211 1.00 0.00 O ATOM 0 H ASP A 12 -10.084 -6.542 -9.207 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.827 -6.408 -11.792 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.230 -4.346 -9.580 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.657 -3.978 -11.195 1.00 0.00 H new ATOM 198 N ILE A 13 -7.040 -6.383 -9.068 1.00 0.00 N ATOM 199 CA ILE A 13 -5.690 -6.394 -8.523 1.00 0.00 C ATOM 200 C ILE A 13 -5.222 -7.824 -8.295 1.00 0.00 C ATOM 201 O ILE A 13 -5.638 -8.483 -7.343 1.00 0.00 O ATOM 202 CB ILE A 13 -5.615 -5.618 -7.190 1.00 0.00 C ATOM 203 CG1 ILE A 13 -6.246 -4.230 -7.343 1.00 0.00 C ATOM 204 CG2 ILE A 13 -4.166 -5.496 -6.730 1.00 0.00 C ATOM 205 CD1 ILE A 13 -6.344 -3.458 -6.045 1.00 0.00 C ATOM 0 H ILE A 13 -7.768 -6.603 -8.389 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.040 -5.905 -9.249 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.174 -6.170 -6.435 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.659 -3.651 -8.056 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.244 -4.340 -7.766 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.128 -4.947 -5.789 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.745 -6.491 -6.587 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.588 -4.963 -7.485 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.801 -2.486 -6.233 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.956 -4.015 -5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.346 -3.316 -5.630 1.00 0.00 H new ATOM 217 N LEU A 14 -4.363 -8.304 -9.180 1.00 0.00 N ATOM 218 CA LEU A 14 -3.831 -9.656 -9.080 1.00 0.00 C ATOM 219 C LEU A 14 -2.870 -9.765 -7.898 1.00 0.00 C ATOM 220 O LEU A 14 -2.323 -8.760 -7.448 1.00 0.00 O ATOM 221 CB LEU A 14 -3.112 -10.027 -10.381 1.00 0.00 C ATOM 222 CG LEU A 14 -3.967 -9.926 -11.647 1.00 0.00 C ATOM 223 CD1 LEU A 14 -3.143 -10.273 -12.875 1.00 0.00 C ATOM 224 CD2 LEU A 14 -5.180 -10.838 -11.544 1.00 0.00 C ATOM 0 H LEU A 14 -4.017 -7.775 -9.980 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.657 -10.349 -8.918 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.243 -9.379 -10.495 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.739 -11.047 -10.294 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.316 -8.898 -11.746 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.767 -10.196 -13.765 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.305 -9.581 -12.958 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.765 -11.291 -12.784 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.777 -10.754 -12.452 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.850 -11.870 -11.421 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.784 -10.545 -10.685 1.00 0.00 H new ATOM 236 N PRO A 15 -2.661 -10.977 -7.361 1.00 0.00 N ATOM 237 CA PRO A 15 -1.687 -11.202 -6.287 1.00 0.00 C ATOM 238 C PRO A 15 -0.271 -10.828 -6.721 1.00 0.00 C ATOM 239 O PRO A 15 0.076 -10.972 -7.898 1.00 0.00 O ATOM 240 CB PRO A 15 -1.786 -12.707 -6.009 1.00 0.00 C ATOM 241 CG PRO A 15 -2.439 -13.287 -7.219 1.00 0.00 C ATOM 242 CD PRO A 15 -3.352 -12.217 -7.745 1.00 0.00 C ATOM 0 HA PRO A 15 -1.896 -10.589 -5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.800 -13.143 -5.847 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.373 -12.904 -5.112 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.697 -13.570 -7.966 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.998 -14.189 -6.967 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.480 -12.290 -8.825 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.346 -12.280 -7.301 1.00 0.00 H new ATOM 250 N GLU A 16 0.523 -10.331 -5.772 1.00 0.00 N ATOM 251 CA GLU A 16 1.894 -9.891 -6.036 1.00 0.00 C ATOM 252 C GLU A 16 1.899 -8.652 -6.932 1.00 0.00 C ATOM 253 O GLU A 16 2.847 -8.418 -7.687 1.00 0.00 O ATOM 254 CB GLU A 16 2.711 -11.020 -6.675 1.00 0.00 C ATOM 255 CG GLU A 16 3.022 -12.162 -5.721 1.00 0.00 C ATOM 256 CD GLU A 16 4.064 -11.785 -4.689 1.00 0.00 C ATOM 257 OE1 GLU A 16 5.266 -11.765 -5.038 1.00 0.00 O ATOM 258 OE2 GLU A 16 3.697 -11.525 -3.529 1.00 0.00 O ATOM 0 H GLU A 16 0.235 -10.222 -4.800 1.00 0.00 H new ATOM 0 HA GLU A 16 2.357 -9.629 -5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.164 -11.413 -7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.647 -10.610 -7.055 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.107 -12.468 -5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.374 -13.022 -6.291 1.00 0.00 H new ATOM 265 N THR A 17 0.848 -7.846 -6.824 1.00 0.00 N ATOM 266 CA THR A 17 0.705 -6.663 -7.661 1.00 0.00 C ATOM 267 C THR A 17 0.373 -5.434 -6.816 1.00 0.00 C ATOM 268 O THR A 17 -0.340 -5.528 -5.815 1.00 0.00 O ATOM 269 CB THR A 17 -0.408 -6.856 -8.713 1.00 0.00 C ATOM 270 OG1 THR A 17 -0.323 -8.170 -9.281 1.00 0.00 O ATOM 271 CG2 THR A 17 -0.306 -5.818 -9.824 1.00 0.00 C ATOM 0 H THR A 17 0.083 -7.991 -6.165 1.00 0.00 H new ATOM 0 HA THR A 17 1.658 -6.512 -8.167 1.00 0.00 H new ATOM 0 HB THR A 17 -1.367 -6.731 -8.211 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.500 -8.122 -10.244 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.104 -5.981 -10.549 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.401 -4.819 -9.398 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.660 -5.910 -10.321 1.00 0.00 H new ATOM 279 N GLY A 18 0.905 -4.292 -7.221 1.00 0.00 N ATOM 280 CA GLY A 18 0.578 -3.042 -6.574 1.00 0.00 C ATOM 281 C GLY A 18 0.155 -2.000 -7.586 1.00 0.00 C ATOM 282 O GLY A 18 0.809 -1.828 -8.616 1.00 0.00 O ATOM 0 H GLY A 18 1.564 -4.210 -7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.224 -3.201 -5.854 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.441 -2.681 -6.015 1.00 0.00 H new ATOM 286 N VAL A 19 -0.942 -1.313 -7.309 1.00 0.00 N ATOM 287 CA VAL A 19 -1.479 -0.325 -8.239 1.00 0.00 C ATOM 288 C VAL A 19 -1.730 1.007 -7.542 1.00 0.00 C ATOM 289 O VAL A 19 -1.614 1.111 -6.317 1.00 0.00 O ATOM 290 CB VAL A 19 -2.795 -0.808 -8.894 1.00 0.00 C ATOM 291 CG1 VAL A 19 -2.549 -2.027 -9.773 1.00 0.00 C ATOM 292 CG2 VAL A 19 -3.844 -1.116 -7.833 1.00 0.00 C ATOM 0 H VAL A 19 -1.480 -1.419 -6.449 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.728 -0.191 -9.018 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.172 -0.004 -9.526 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.489 -2.347 -10.222 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.840 -1.771 -10.560 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.142 -2.836 -9.167 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.761 -1.454 -8.315 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.473 -1.898 -7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.049 -0.217 -7.253 1.00 0.00 H new ATOM 302 N CYS A 20 -2.050 2.023 -8.325 1.00 0.00 N ATOM 303 CA CYS A 20 -2.384 3.329 -7.785 1.00 0.00 C ATOM 304 C CYS A 20 -3.897 3.482 -7.709 1.00 0.00 C ATOM 305 O CYS A 20 -4.606 3.215 -8.680 1.00 0.00 O ATOM 306 CB CYS A 20 -1.781 4.441 -8.650 1.00 0.00 C ATOM 307 SG CYS A 20 -2.085 6.114 -8.027 1.00 0.00 S ATOM 0 H CYS A 20 -2.085 1.967 -9.343 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.965 3.412 -6.782 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.705 4.284 -8.726 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.187 4.362 -9.659 1.00 0.00 H new ATOM 0 HG CYS A 20 -1.535 6.981 -8.824 1.00 0.00 H new ATOM 313 N ALA A 21 -4.385 3.900 -6.555 1.00 0.00 N ATOM 314 CA ALA A 21 -5.811 4.049 -6.342 1.00 0.00 C ATOM 315 C ALA A 21 -6.138 5.437 -5.812 1.00 0.00 C ATOM 316 O ALA A 21 -5.246 6.188 -5.409 1.00 0.00 O ATOM 317 CB ALA A 21 -6.306 2.990 -5.374 1.00 0.00 C ATOM 0 H ALA A 21 -3.810 4.143 -5.748 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.316 3.921 -7.299 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.378 3.110 -5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.107 2.000 -5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.789 3.098 -4.421 1.00 0.00 H new ATOM 323 N LEU A 22 -7.418 5.768 -5.816 1.00 0.00 N ATOM 324 CA LEU A 22 -7.881 7.051 -5.317 1.00 0.00 C ATOM 325 C LEU A 22 -8.999 6.852 -4.307 1.00 0.00 C ATOM 326 O LEU A 22 -10.036 6.262 -4.618 1.00 0.00 O ATOM 327 CB LEU A 22 -8.368 7.929 -6.474 1.00 0.00 C ATOM 328 CG LEU A 22 -7.288 8.355 -7.472 1.00 0.00 C ATOM 329 CD1 LEU A 22 -7.910 9.085 -8.650 1.00 0.00 C ATOM 330 CD2 LEU A 22 -6.250 9.235 -6.794 1.00 0.00 C ATOM 0 H LEU A 22 -8.160 5.160 -6.162 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.047 7.551 -4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.146 7.390 -7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.830 8.825 -6.059 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.792 7.458 -7.842 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.128 9.380 -9.349 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.617 8.426 -9.154 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.432 9.973 -8.293 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.491 9.527 -7.520 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.734 10.127 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.780 8.683 -5.980 1.00 0.00 H new ATOM 342 N LEU A 23 -8.776 7.326 -3.094 1.00 0.00 N ATOM 343 CA LEU A 23 -9.779 7.263 -2.048 1.00 0.00 C ATOM 344 C LEU A 23 -10.517 8.591 -1.992 1.00 0.00 C ATOM 345 O LEU A 23 -10.140 9.497 -1.248 1.00 0.00 O ATOM 346 CB LEU A 23 -9.128 6.949 -0.696 1.00 0.00 C ATOM 347 CG LEU A 23 -10.100 6.760 0.471 1.00 0.00 C ATOM 348 CD1 LEU A 23 -11.010 5.569 0.222 1.00 0.00 C ATOM 349 CD2 LEU A 23 -9.338 6.581 1.773 1.00 0.00 C ATOM 0 H LEU A 23 -7.900 7.763 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.487 6.464 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.531 6.043 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.440 7.757 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.718 7.654 0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.694 5.451 1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.583 5.733 -0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.408 4.667 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.044 6.448 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.696 5.703 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.726 7.463 1.961 1.00 0.00 H new ATOM 361 N GLY A 24 -11.542 8.721 -2.819 1.00 0.00 N ATOM 362 CA GLY A 24 -12.228 9.987 -2.942 1.00 0.00 C ATOM 363 C GLY A 24 -11.431 10.936 -3.807 1.00 0.00 C ATOM 364 O GLY A 24 -11.631 11.000 -5.021 1.00 0.00 O ATOM 0 H GLY A 24 -11.910 7.973 -3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.216 9.832 -3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.378 10.424 -1.955 1.00 0.00 H new ATOM 368 N ASP A 25 -10.527 11.675 -3.186 1.00 0.00 N ATOM 369 CA ASP A 25 -9.584 12.500 -3.926 1.00 0.00 C ATOM 370 C ASP A 25 -8.160 12.234 -3.441 1.00 0.00 C ATOM 371 O ASP A 25 -7.188 12.741 -3.999 1.00 0.00 O ATOM 372 CB ASP A 25 -9.940 13.982 -3.783 1.00 0.00 C ATOM 373 CG ASP A 25 -9.109 14.871 -4.688 1.00 0.00 C ATOM 374 OD1 ASP A 25 -9.289 14.801 -5.924 1.00 0.00 O ATOM 375 OD2 ASP A 25 -8.276 15.642 -4.170 1.00 0.00 O ATOM 0 H ASP A 25 -10.425 11.721 -2.172 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.643 12.239 -4.983 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.996 14.122 -4.013 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -9.796 14.288 -2.747 1.00 0.00 H new ATOM 380 N GLU A 26 -8.043 11.408 -2.407 1.00 0.00 N ATOM 381 CA GLU A 26 -6.751 11.104 -1.805 1.00 0.00 C ATOM 382 C GLU A 26 -6.029 10.024 -2.600 1.00 0.00 C ATOM 383 O GLU A 26 -6.653 9.073 -3.076 1.00 0.00 O ATOM 384 CB GLU A 26 -6.938 10.648 -0.357 1.00 0.00 C ATOM 385 CG GLU A 26 -7.656 11.665 0.517 1.00 0.00 C ATOM 386 CD GLU A 26 -6.899 12.971 0.637 1.00 0.00 C ATOM 387 OE1 GLU A 26 -7.012 13.816 -0.275 1.00 0.00 O ATOM 388 OE2 GLU A 26 -6.189 13.159 1.648 1.00 0.00 O ATOM 0 H GLU A 26 -8.832 10.935 -1.967 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.145 12.010 -1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.500 9.714 -0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.961 10.435 0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.645 11.860 0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.804 11.243 1.511 1.00 0.00 H new ATOM 395 N GLN A 27 -4.720 10.166 -2.745 1.00 0.00 N ATOM 396 CA GLN A 27 -3.933 9.199 -3.494 1.00 0.00 C ATOM 397 C GLN A 27 -3.470 8.068 -2.585 1.00 0.00 C ATOM 398 O GLN A 27 -2.808 8.300 -1.573 1.00 0.00 O ATOM 399 CB GLN A 27 -2.726 9.867 -4.151 1.00 0.00 C ATOM 400 CG GLN A 27 -3.080 10.949 -5.154 1.00 0.00 C ATOM 401 CD GLN A 27 -1.904 11.338 -6.029 1.00 0.00 C ATOM 402 OE1 GLN A 27 -2.079 11.747 -7.176 1.00 0.00 O ATOM 403 NE2 GLN A 27 -0.696 11.204 -5.503 1.00 0.00 N ATOM 0 H GLN A 27 -4.182 10.940 -2.355 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.568 8.786 -4.278 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.097 10.301 -3.373 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.131 9.104 -4.653 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.898 10.602 -5.785 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.439 11.830 -4.622 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.591 10.862 -4.548 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.129 11.443 -6.053 1.00 0.00 H new ATOM 412 N VAL A 28 -3.826 6.846 -2.946 1.00 0.00 N ATOM 413 CA VAL A 28 -3.476 5.681 -2.148 1.00 0.00 C ATOM 414 C VAL A 28 -2.828 4.613 -3.022 1.00 0.00 C ATOM 415 O VAL A 28 -3.248 4.391 -4.157 1.00 0.00 O ATOM 416 CB VAL A 28 -4.720 5.078 -1.453 1.00 0.00 C ATOM 417 CG1 VAL A 28 -4.329 3.921 -0.547 1.00 0.00 C ATOM 418 CG2 VAL A 28 -5.467 6.142 -0.663 1.00 0.00 C ATOM 0 H VAL A 28 -4.359 6.634 -3.789 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.772 6.010 -1.384 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.384 4.696 -2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.221 3.515 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.847 3.143 -1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.638 4.275 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.338 5.695 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.808 6.560 0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.791 6.935 -1.337 1.00 0.00 H new ATOM 428 N ALA A 29 -1.797 3.971 -2.505 1.00 0.00 N ATOM 429 CA ALA A 29 -1.161 2.866 -3.198 1.00 0.00 C ATOM 430 C ALA A 29 -1.622 1.550 -2.592 1.00 0.00 C ATOM 431 O ALA A 29 -1.383 1.286 -1.411 1.00 0.00 O ATOM 432 CB ALA A 29 0.357 2.991 -3.125 1.00 0.00 C ATOM 0 H ALA A 29 -1.380 4.198 -1.602 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.450 2.891 -4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.817 2.154 -3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.668 3.926 -3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.673 2.983 -2.082 1.00 0.00 H new ATOM 438 N ILE A 30 -2.298 0.737 -3.389 1.00 0.00 N ATOM 439 CA ILE A 30 -2.827 -0.529 -2.905 1.00 0.00 C ATOM 440 C ILE A 30 -1.964 -1.685 -3.382 1.00 0.00 C ATOM 441 O ILE A 30 -1.750 -1.866 -4.584 1.00 0.00 O ATOM 442 CB ILE A 30 -4.288 -0.760 -3.352 1.00 0.00 C ATOM 443 CG1 ILE A 30 -5.195 0.354 -2.819 1.00 0.00 C ATOM 444 CG2 ILE A 30 -4.784 -2.123 -2.878 1.00 0.00 C ATOM 445 CD1 ILE A 30 -6.654 0.183 -3.194 1.00 0.00 C ATOM 0 H ILE A 30 -2.493 0.930 -4.371 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.811 -0.482 -1.816 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.321 -0.741 -4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.110 0.391 -1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.841 1.312 -3.200 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.815 -2.268 -3.202 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.156 -2.906 -3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.736 -2.170 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.235 1.008 -2.782 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.752 0.176 -4.280 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.025 -0.759 -2.790 1.00 0.00 H new ATOM 457 N PHE A 31 -1.464 -2.457 -2.434 1.00 0.00 N ATOM 458 CA PHE A 31 -0.634 -3.606 -2.738 1.00 0.00 C ATOM 459 C PHE A 31 -1.325 -4.884 -2.292 1.00 0.00 C ATOM 460 O PHE A 31 -1.784 -4.983 -1.150 1.00 0.00 O ATOM 461 CB PHE A 31 0.721 -3.493 -2.034 1.00 0.00 C ATOM 462 CG PHE A 31 1.483 -2.243 -2.365 1.00 0.00 C ATOM 463 CD1 PHE A 31 2.305 -2.190 -3.479 1.00 0.00 C ATOM 464 CD2 PHE A 31 1.382 -1.119 -1.558 1.00 0.00 C ATOM 465 CE1 PHE A 31 3.011 -1.043 -3.781 1.00 0.00 C ATOM 466 CE2 PHE A 31 2.087 0.030 -1.856 1.00 0.00 C ATOM 467 CZ PHE A 31 2.902 0.068 -2.969 1.00 0.00 C ATOM 0 H PHE A 31 -1.621 -2.306 -1.438 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.475 -3.635 -3.816 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.563 -3.534 -0.956 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.329 -4.357 -2.300 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.394 -3.056 -4.118 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.744 -1.143 -0.687 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.648 -1.015 -4.652 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.001 0.898 -1.219 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.454 0.966 -3.204 1.00 0.00 H new ATOM 477 N ARG A 32 -1.407 -5.853 -3.187 1.00 0.00 N ATOM 478 CA ARG A 32 -1.909 -7.164 -2.833 1.00 0.00 C ATOM 479 C ARG A 32 -0.763 -8.160 -2.905 1.00 0.00 C ATOM 480 O ARG A 32 -0.376 -8.598 -3.984 1.00 0.00 O ATOM 481 CB ARG A 32 -3.041 -7.584 -3.775 1.00 0.00 C ATOM 482 CG ARG A 32 -3.621 -8.956 -3.462 1.00 0.00 C ATOM 483 CD ARG A 32 -4.692 -9.350 -4.466 1.00 0.00 C ATOM 484 NE ARG A 32 -5.275 -10.662 -4.176 1.00 0.00 N ATOM 485 CZ ARG A 32 -6.150 -11.282 -4.974 1.00 0.00 C ATOM 486 NH1 ARG A 32 -6.522 -10.723 -6.119 1.00 0.00 N ATOM 487 NH2 ARG A 32 -6.649 -12.462 -4.631 1.00 0.00 N ATOM 0 H ARG A 32 -1.132 -5.754 -4.164 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.312 -7.137 -1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.838 -6.842 -3.724 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.669 -7.582 -4.799 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.824 -9.699 -3.468 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.046 -8.952 -2.458 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.480 -8.597 -4.466 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.261 -9.360 -5.467 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.997 -11.130 -3.314 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.140 -9.818 -6.392 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.190 -11.199 -6.726 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.365 -12.900 -3.755 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.316 -12.931 -5.243 1.00 0.00 H new ATOM 501 N PRO A 33 -0.189 -8.493 -1.749 1.00 0.00 N ATOM 502 CA PRO A 33 0.901 -9.456 -1.651 1.00 0.00 C ATOM 503 C PRO A 33 0.402 -10.892 -1.616 1.00 0.00 C ATOM 504 O PRO A 33 1.001 -11.785 -2.210 1.00 0.00 O ATOM 505 CB PRO A 33 1.586 -9.102 -0.323 1.00 0.00 C ATOM 506 CG PRO A 33 0.786 -7.994 0.293 1.00 0.00 C ATOM 507 CD PRO A 33 -0.518 -7.918 -0.450 1.00 0.00 C ATOM 0 HA PRO A 33 1.564 -9.400 -2.515 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.620 -9.968 0.338 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.616 -8.788 -0.491 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.614 -8.187 1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.323 -7.048 0.224 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.303 -8.482 0.054 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.871 -6.891 -0.541 1.00 0.00 H new ATOM 515 N TYR A 34 -0.713 -11.107 -0.936 1.00 0.00 N ATOM 516 CA TYR A 34 -1.231 -12.449 -0.744 1.00 0.00 C ATOM 517 C TYR A 34 -2.186 -12.833 -1.864 1.00 0.00 C ATOM 518 O TYR A 34 -2.721 -11.976 -2.569 1.00 0.00 O ATOM 519 CB TYR A 34 -1.967 -12.567 0.594 1.00 0.00 C ATOM 520 CG TYR A 34 -1.094 -12.405 1.818 1.00 0.00 C ATOM 521 CD1 TYR A 34 -0.273 -13.439 2.255 1.00 0.00 C ATOM 522 CD2 TYR A 34 -1.110 -11.228 2.553 1.00 0.00 C ATOM 523 CE1 TYR A 34 0.505 -13.301 3.387 1.00 0.00 C ATOM 524 CE2 TYR A 34 -0.339 -11.083 3.688 1.00 0.00 C ATOM 525 CZ TYR A 34 0.470 -12.121 4.100 1.00 0.00 C ATOM 526 OH TYR A 34 1.236 -11.979 5.234 1.00 0.00 O ATOM 0 H TYR A 34 -1.275 -10.370 -0.509 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.377 -13.126 -0.750 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.755 -11.815 0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.454 -13.541 0.639 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.244 -14.365 1.700 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.738 -10.410 2.231 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.138 -14.113 3.713 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.369 -10.162 4.251 1.00 0.00 H new ATOM 0 HH TYR A 34 1.095 -11.087 5.615 1.00 0.00 H new ATOM 536 N HIS A 35 -2.392 -14.131 -2.015 1.00 0.00 N ATOM 537 CA HIS A 35 -3.374 -14.647 -2.958 1.00 0.00 C ATOM 538 C HIS A 35 -4.777 -14.477 -2.388 1.00 0.00 C ATOM 539 O HIS A 35 -5.768 -14.554 -3.110 1.00 0.00 O ATOM 540 CB HIS A 35 -3.116 -16.127 -3.256 1.00 0.00 C ATOM 541 CG HIS A 35 -1.926 -16.384 -4.128 1.00 0.00 C ATOM 542 ND1 HIS A 35 -1.937 -17.311 -5.145 1.00 0.00 N ATOM 543 CD2 HIS A 35 -0.684 -15.846 -4.129 1.00 0.00 C ATOM 544 CE1 HIS A 35 -0.757 -17.332 -5.732 1.00 0.00 C ATOM 545 NE2 HIS A 35 0.023 -16.453 -5.135 1.00 0.00 N ATOM 0 H HIS A 35 -1.890 -14.851 -1.495 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.287 -14.085 -3.888 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.981 -16.657 -2.313 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.000 -16.548 -3.735 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.318 -15.080 -3.461 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.476 -17.963 -6.562 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.993 -16.257 -5.381 1.00 0.00 H new ATOM 554 N SER A 36 -4.839 -14.232 -1.092 1.00 0.00 N ATOM 555 CA SER A 36 -6.103 -14.079 -0.393 1.00 0.00 C ATOM 556 C SER A 36 -6.595 -12.632 -0.450 1.00 0.00 C ATOM 557 O SER A 36 -6.126 -11.831 -1.264 1.00 0.00 O ATOM 558 CB SER A 36 -5.932 -14.535 1.055 1.00 0.00 C ATOM 559 OG SER A 36 -4.720 -14.041 1.604 1.00 0.00 O ATOM 0 H SER A 36 -4.018 -14.134 -0.495 1.00 0.00 H new ATOM 0 HA SER A 36 -6.856 -14.697 -0.882 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.775 -14.186 1.652 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.939 -15.624 1.100 1.00 0.00 H new ATOM 0 HG SER A 36 -4.156 -14.793 1.881 1.00 0.00 H new ATOM 565 N ASP A 37 -7.538 -12.309 0.430 1.00 0.00 N ATOM 566 CA ASP A 37 -8.152 -10.985 0.485 1.00 0.00 C ATOM 567 C ASP A 37 -7.327 -10.021 1.335 1.00 0.00 C ATOM 568 O ASP A 37 -7.776 -8.925 1.670 1.00 0.00 O ATOM 569 CB ASP A 37 -9.567 -11.097 1.062 1.00 0.00 C ATOM 570 CG ASP A 37 -9.577 -11.678 2.465 1.00 0.00 C ATOM 571 OD1 ASP A 37 -9.419 -12.912 2.601 1.00 0.00 O ATOM 572 OD2 ASP A 37 -9.745 -10.911 3.433 1.00 0.00 O ATOM 0 H ASP A 37 -7.899 -12.960 1.127 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.194 -10.590 -0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.029 -10.110 1.077 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.174 -11.723 0.408 1.00 0.00 H new ATOM 577 N GLN A 38 -6.118 -10.424 1.680 1.00 0.00 N ATOM 578 CA GLN A 38 -5.250 -9.591 2.495 1.00 0.00 C ATOM 579 C GLN A 38 -4.507 -8.575 1.637 1.00 0.00 C ATOM 580 O GLN A 38 -3.493 -8.891 1.011 1.00 0.00 O ATOM 581 CB GLN A 38 -4.265 -10.456 3.276 1.00 0.00 C ATOM 582 CG GLN A 38 -4.934 -11.327 4.324 1.00 0.00 C ATOM 583 CD GLN A 38 -3.973 -12.304 4.963 1.00 0.00 C ATOM 584 OE1 GLN A 38 -3.326 -11.995 5.961 1.00 0.00 O ATOM 585 NE2 GLN A 38 -3.879 -13.493 4.394 1.00 0.00 N ATOM 0 H GLN A 38 -5.714 -11.321 1.410 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.871 -9.043 3.204 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.718 -11.092 2.580 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.532 -9.812 3.762 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.369 -10.692 5.096 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.755 -11.877 3.864 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.435 -13.708 3.566 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.251 -14.196 4.783 1.00 0.00 H new ATOM 594 N VAL A 39 -5.039 -7.361 1.595 1.00 0.00 N ATOM 595 CA VAL A 39 -4.428 -6.275 0.846 1.00 0.00 C ATOM 596 C VAL A 39 -3.974 -5.169 1.793 1.00 0.00 C ATOM 597 O VAL A 39 -4.504 -5.033 2.900 1.00 0.00 O ATOM 598 CB VAL A 39 -5.395 -5.685 -0.208 1.00 0.00 C ATOM 599 CG1 VAL A 39 -5.743 -6.723 -1.263 1.00 0.00 C ATOM 600 CG2 VAL A 39 -6.661 -5.150 0.451 1.00 0.00 C ATOM 0 H VAL A 39 -5.901 -7.104 2.076 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.567 -6.689 0.322 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.888 -4.853 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.424 -6.286 -1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.833 -7.050 -1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.222 -7.579 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.323 -4.741 -0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.168 -5.960 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.398 -4.366 1.161 1.00 0.00 H new ATOM 610 N PHE A 40 -2.993 -4.391 1.365 1.00 0.00 N ATOM 611 CA PHE A 40 -2.458 -3.311 2.183 1.00 0.00 C ATOM 612 C PHE A 40 -2.465 -2.006 1.398 1.00 0.00 C ATOM 613 O PHE A 40 -2.197 -1.999 0.197 1.00 0.00 O ATOM 614 CB PHE A 40 -1.037 -3.647 2.649 1.00 0.00 C ATOM 615 CG PHE A 40 -0.959 -4.873 3.524 1.00 0.00 C ATOM 616 CD1 PHE A 40 -0.837 -6.136 2.966 1.00 0.00 C ATOM 617 CD2 PHE A 40 -1.009 -4.760 4.905 1.00 0.00 C ATOM 618 CE1 PHE A 40 -0.767 -7.260 3.766 1.00 0.00 C ATOM 619 CE2 PHE A 40 -0.938 -5.882 5.710 1.00 0.00 C ATOM 620 CZ PHE A 40 -0.817 -7.133 5.139 1.00 0.00 C ATOM 0 H PHE A 40 -2.548 -4.487 0.452 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.090 -3.193 3.063 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.403 -3.795 1.775 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.633 -2.795 3.196 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.796 -6.243 1.892 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.105 -3.784 5.357 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.673 -8.238 3.317 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.977 -5.780 6.784 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.762 -8.011 5.766 1.00 0.00 H new ATOM 630 N ALA A 41 -2.781 -0.910 2.072 1.00 0.00 N ATOM 631 CA ALA A 41 -2.876 0.383 1.412 1.00 0.00 C ATOM 632 C ALA A 41 -2.152 1.466 2.204 1.00 0.00 C ATOM 633 O ALA A 41 -2.353 1.608 3.413 1.00 0.00 O ATOM 634 CB ALA A 41 -4.333 0.766 1.215 1.00 0.00 C ATOM 0 H ALA A 41 -2.975 -0.890 3.073 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.393 0.298 0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.391 1.735 0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.827 0.014 0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.828 0.823 2.184 1.00 0.00 H new ATOM 640 N ILE A 42 -1.309 2.219 1.515 1.00 0.00 N ATOM 641 CA ILE A 42 -0.573 3.323 2.123 1.00 0.00 C ATOM 642 C ILE A 42 -0.550 4.516 1.176 1.00 0.00 C ATOM 643 O ILE A 42 -0.995 4.409 0.035 1.00 0.00 O ATOM 644 CB ILE A 42 0.884 2.927 2.464 1.00 0.00 C ATOM 645 CG1 ILE A 42 1.597 2.391 1.215 1.00 0.00 C ATOM 646 CG2 ILE A 42 0.916 1.904 3.591 1.00 0.00 C ATOM 647 CD1 ILE A 42 3.052 2.039 1.447 1.00 0.00 C ATOM 0 H ILE A 42 -1.114 2.085 0.523 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.085 3.583 3.050 1.00 0.00 H new ATOM 0 HB ILE A 42 1.414 3.816 2.805 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.071 1.505 0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.535 3.138 0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.950 1.640 3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.450 2.328 4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.371 1.010 3.287 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.489 1.667 0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.594 2.927 1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.122 1.269 2.215 1.00 0.00 H new ATOM 659 N SER A 43 -0.053 5.651 1.647 1.00 0.00 N ATOM 660 CA SER A 43 0.118 6.814 0.789 1.00 0.00 C ATOM 661 C SER A 43 1.154 6.512 -0.291 1.00 0.00 C ATOM 662 O SER A 43 2.201 5.930 -0.008 1.00 0.00 O ATOM 663 CB SER A 43 0.535 8.024 1.627 1.00 0.00 C ATOM 664 OG SER A 43 1.628 7.704 2.470 1.00 0.00 O ATOM 0 H SER A 43 0.238 5.791 2.615 1.00 0.00 H new ATOM 0 HA SER A 43 -0.828 7.048 0.301 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.807 8.850 0.970 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.308 8.361 2.230 1.00 0.00 H new ATOM 0 HG SER A 43 2.079 8.528 2.747 1.00 0.00 H new ATOM 670 N ASN A 44 0.860 6.912 -1.520 1.00 0.00 N ATOM 671 CA ASN A 44 1.669 6.525 -2.677 1.00 0.00 C ATOM 672 C ASN A 44 2.880 7.431 -2.873 1.00 0.00 C ATOM 673 O ASN A 44 3.724 7.162 -3.726 1.00 0.00 O ATOM 674 CB ASN A 44 0.816 6.537 -3.953 1.00 0.00 C ATOM 675 CG ASN A 44 0.259 7.913 -4.276 1.00 0.00 C ATOM 676 OD1 ASN A 44 -0.027 8.709 -3.382 1.00 0.00 O ATOM 677 ND2 ASN A 44 0.106 8.207 -5.556 1.00 0.00 N ATOM 0 H ASN A 44 0.064 7.508 -1.747 1.00 0.00 H new ATOM 0 HA ASN A 44 2.035 5.517 -2.480 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.419 6.188 -4.791 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.009 5.834 -3.840 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.260 9.119 -5.830 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.354 7.522 -6.270 1.00 0.00 H new ATOM 684 N ILE A 45 2.967 8.496 -2.090 1.00 0.00 N ATOM 685 CA ILE A 45 4.047 9.461 -2.243 1.00 0.00 C ATOM 686 C ILE A 45 5.020 9.387 -1.069 1.00 0.00 C ATOM 687 O ILE A 45 4.618 9.529 0.091 1.00 0.00 O ATOM 688 CB ILE A 45 3.496 10.899 -2.360 1.00 0.00 C ATOM 689 CG1 ILE A 45 2.493 10.989 -3.514 1.00 0.00 C ATOM 690 CG2 ILE A 45 4.633 11.894 -2.560 1.00 0.00 C ATOM 691 CD1 ILE A 45 1.785 12.325 -3.610 1.00 0.00 C ATOM 0 H ILE A 45 2.306 8.714 -1.345 1.00 0.00 H new ATOM 0 HA ILE A 45 4.577 9.208 -3.161 1.00 0.00 H new ATOM 0 HB ILE A 45 2.982 11.151 -1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.015 10.797 -4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.748 10.202 -3.397 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.225 12.902 -2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.313 11.845 -1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.175 11.648 -3.473 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.092 12.310 -4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.233 12.511 -2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.520 13.116 -3.759 1.00 0.00 H new ATOM 703 N ASP A 46 6.293 9.151 -1.374 1.00 0.00 N ATOM 704 CA ASP A 46 7.343 9.108 -0.354 1.00 0.00 C ATOM 705 C ASP A 46 7.461 10.452 0.346 1.00 0.00 C ATOM 706 O ASP A 46 7.512 11.489 -0.308 1.00 0.00 O ATOM 707 CB ASP A 46 8.721 8.807 -0.962 1.00 0.00 C ATOM 708 CG ASP A 46 8.728 7.671 -1.956 1.00 0.00 C ATOM 709 OD1 ASP A 46 8.091 7.815 -3.012 1.00 0.00 O ATOM 710 OD2 ASP A 46 9.404 6.659 -1.695 1.00 0.00 O ATOM 0 H ASP A 46 6.626 8.985 -2.324 1.00 0.00 H new ATOM 0 HA ASP A 46 7.059 8.318 0.341 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.092 9.706 -1.453 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.417 8.573 -0.156 1.00 0.00 H new ATOM 715 N PRO A 47 7.521 10.461 1.680 1.00 0.00 N ATOM 716 CA PRO A 47 7.874 11.656 2.435 1.00 0.00 C ATOM 717 C PRO A 47 9.389 11.822 2.486 1.00 0.00 C ATOM 718 O PRO A 47 9.909 12.884 2.827 1.00 0.00 O ATOM 719 CB PRO A 47 7.306 11.388 3.838 1.00 0.00 C ATOM 720 CG PRO A 47 6.663 10.034 3.782 1.00 0.00 C ATOM 721 CD PRO A 47 7.222 9.340 2.571 1.00 0.00 C ATOM 0 HA PRO A 47 7.480 12.571 1.993 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.096 11.412 4.588 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.580 12.152 4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.878 9.466 4.687 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.579 10.123 3.711 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.114 8.761 2.810 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.503 8.650 2.129 1.00 0.00 H new ATOM 729 N PHE A 48 10.085 10.754 2.112 1.00 0.00 N ATOM 730 CA PHE A 48 11.538 10.713 2.155 1.00 0.00 C ATOM 731 C PHE A 48 12.146 11.216 0.847 1.00 0.00 C ATOM 732 O PHE A 48 12.963 12.136 0.844 1.00 0.00 O ATOM 733 CB PHE A 48 11.998 9.278 2.437 1.00 0.00 C ATOM 734 CG PHE A 48 13.489 9.117 2.535 1.00 0.00 C ATOM 735 CD1 PHE A 48 14.172 9.542 3.664 1.00 0.00 C ATOM 736 CD2 PHE A 48 14.206 8.534 1.501 1.00 0.00 C ATOM 737 CE1 PHE A 48 15.540 9.390 3.760 1.00 0.00 C ATOM 738 CE2 PHE A 48 15.575 8.381 1.592 1.00 0.00 C ATOM 739 CZ PHE A 48 16.243 8.810 2.722 1.00 0.00 C ATOM 0 H PHE A 48 9.656 9.894 1.771 1.00 0.00 H new ATOM 0 HA PHE A 48 11.881 11.371 2.953 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.545 8.940 3.369 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.625 8.627 1.647 1.00 0.00 H new ATOM 0 HD1 PHE A 48 13.627 9.997 4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 48 13.688 8.196 0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 48 16.060 9.724 4.645 1.00 0.00 H new ATOM 0 HE2 PHE A 48 16.123 7.926 0.780 1.00 0.00 H new ATOM 0 HZ PHE A 48 17.314 8.692 2.794 1.00 0.00 H new ATOM 749 N PHE A 49 11.749 10.611 -0.268 1.00 0.00 N ATOM 750 CA PHE A 49 12.340 10.954 -1.557 1.00 0.00 C ATOM 751 C PHE A 49 11.331 11.675 -2.450 1.00 0.00 C ATOM 752 O PHE A 49 11.715 12.398 -3.369 1.00 0.00 O ATOM 753 CB PHE A 49 12.858 9.694 -2.253 1.00 0.00 C ATOM 754 CG PHE A 49 14.084 9.938 -3.089 1.00 0.00 C ATOM 755 CD1 PHE A 49 13.978 10.374 -4.400 1.00 0.00 C ATOM 756 CD2 PHE A 49 15.347 9.735 -2.555 1.00 0.00 C ATOM 757 CE1 PHE A 49 15.108 10.601 -5.162 1.00 0.00 C ATOM 758 CE2 PHE A 49 16.479 9.960 -3.312 1.00 0.00 C ATOM 759 CZ PHE A 49 16.360 10.394 -4.616 1.00 0.00 C ATOM 0 H PHE A 49 11.029 9.889 -0.306 1.00 0.00 H new ATOM 0 HA PHE A 49 13.176 11.630 -1.378 1.00 0.00 H new ATOM 0 HB2 PHE A 49 13.084 8.939 -1.501 1.00 0.00 H new ATOM 0 HB3 PHE A 49 12.070 9.287 -2.886 1.00 0.00 H new ATOM 0 HD1 PHE A 49 13.001 10.538 -4.831 1.00 0.00 H new ATOM 0 HD2 PHE A 49 15.446 9.397 -1.534 1.00 0.00 H new ATOM 0 HE1 PHE A 49 15.013 10.940 -6.183 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.457 9.796 -2.884 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.245 10.572 -5.209 1.00 0.00 H new ATOM 769 N GLU A 50 10.046 11.476 -2.157 1.00 0.00 N ATOM 770 CA GLU A 50 8.949 12.117 -2.887 1.00 0.00 C ATOM 771 C GLU A 50 8.817 11.586 -4.316 1.00 0.00 C ATOM 772 O GLU A 50 9.191 12.257 -5.280 1.00 0.00 O ATOM 773 CB GLU A 50 9.106 13.641 -2.892 1.00 0.00 C ATOM 774 CG GLU A 50 9.091 14.258 -1.501 1.00 0.00 C ATOM 775 CD GLU A 50 9.382 15.743 -1.520 1.00 0.00 C ATOM 776 OE1 GLU A 50 8.449 16.537 -1.761 1.00 0.00 O ATOM 777 OE2 GLU A 50 10.550 16.127 -1.297 1.00 0.00 O ATOM 0 H GLU A 50 9.734 10.863 -1.404 1.00 0.00 H new ATOM 0 HA GLU A 50 8.029 11.864 -2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.043 13.900 -3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.302 14.079 -3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.117 14.088 -1.043 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.829 13.755 -0.876 1.00 0.00 H new ATOM 784 N SER A 51 8.308 10.367 -4.437 1.00 0.00 N ATOM 785 CA SER A 51 7.950 9.801 -5.729 1.00 0.00 C ATOM 786 C SER A 51 6.430 9.728 -5.823 1.00 0.00 C ATOM 787 O SER A 51 5.744 9.800 -4.804 1.00 0.00 O ATOM 788 CB SER A 51 8.578 8.410 -5.901 1.00 0.00 C ATOM 789 OG SER A 51 8.237 7.826 -7.151 1.00 0.00 O ATOM 0 H SER A 51 8.133 9.746 -3.647 1.00 0.00 H new ATOM 0 HA SER A 51 8.333 10.434 -6.529 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.662 8.489 -5.821 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.245 7.759 -5.093 1.00 0.00 H new ATOM 0 HG SER A 51 8.656 6.943 -7.225 1.00 0.00 H new ATOM 795 N SER A 52 5.901 9.598 -7.029 1.00 0.00 N ATOM 796 CA SER A 52 4.462 9.616 -7.219 1.00 0.00 C ATOM 797 C SER A 52 3.854 8.225 -7.058 1.00 0.00 C ATOM 798 O SER A 52 2.706 8.083 -6.638 1.00 0.00 O ATOM 799 CB SER A 52 4.123 10.195 -8.593 1.00 0.00 C ATOM 800 OG SER A 52 4.841 9.536 -9.624 1.00 0.00 O ATOM 0 H SER A 52 6.443 9.480 -7.885 1.00 0.00 H new ATOM 0 HA SER A 52 4.029 10.252 -6.447 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.053 10.100 -8.775 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.356 11.260 -8.608 1.00 0.00 H new ATOM 0 HG SER A 52 4.602 9.927 -10.490 1.00 0.00 H new ATOM 806 N VAL A 53 4.617 7.194 -7.400 1.00 0.00 N ATOM 807 CA VAL A 53 4.111 5.834 -7.297 1.00 0.00 C ATOM 808 C VAL A 53 5.064 4.932 -6.522 1.00 0.00 C ATOM 809 O VAL A 53 6.245 4.809 -6.852 1.00 0.00 O ATOM 810 CB VAL A 53 3.843 5.213 -8.694 1.00 0.00 C ATOM 811 CG1 VAL A 53 2.635 5.863 -9.349 1.00 0.00 C ATOM 812 CG2 VAL A 53 5.064 5.336 -9.599 1.00 0.00 C ATOM 0 H VAL A 53 5.573 7.272 -7.746 1.00 0.00 H new ATOM 0 HA VAL A 53 3.169 5.901 -6.753 1.00 0.00 H new ATOM 0 HB VAL A 53 3.634 4.153 -8.549 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.465 5.413 -10.327 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.756 5.712 -8.722 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.816 6.931 -9.468 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.844 4.892 -10.570 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.315 6.389 -9.730 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.907 4.816 -9.145 1.00 0.00 H new ATOM 822 N LEU A 54 4.538 4.304 -5.476 1.00 0.00 N ATOM 823 CA LEU A 54 5.254 3.260 -4.753 1.00 0.00 C ATOM 824 C LEU A 54 4.907 1.897 -5.332 1.00 0.00 C ATOM 825 O LEU A 54 5.504 0.881 -4.979 1.00 0.00 O ATOM 826 CB LEU A 54 4.912 3.299 -3.264 1.00 0.00 C ATOM 827 CG LEU A 54 5.332 4.574 -2.536 1.00 0.00 C ATOM 828 CD1 LEU A 54 4.969 4.493 -1.063 1.00 0.00 C ATOM 829 CD2 LEU A 54 6.823 4.809 -2.704 1.00 0.00 C ATOM 0 H LEU A 54 3.608 4.503 -5.107 1.00 0.00 H new ATOM 0 HA LEU A 54 6.324 3.435 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.835 3.173 -3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.386 2.447 -2.776 1.00 0.00 H new ATOM 0 HG LEU A 54 4.795 5.415 -2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.276 5.411 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.891 4.367 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.479 3.643 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.109 5.721 -2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.373 3.965 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.058 4.910 -3.763 1.00 0.00 H new ATOM 841 N SER A 55 3.937 1.895 -6.237 1.00 0.00 N ATOM 842 CA SER A 55 3.400 0.667 -6.814 1.00 0.00 C ATOM 843 C SER A 55 4.366 0.057 -7.832 1.00 0.00 C ATOM 844 O SER A 55 4.083 -0.982 -8.427 1.00 0.00 O ATOM 845 CB SER A 55 2.059 0.978 -7.472 1.00 0.00 C ATOM 846 OG SER A 55 1.250 1.768 -6.613 1.00 0.00 O ATOM 0 H SER A 55 3.499 2.745 -6.593 1.00 0.00 H new ATOM 0 HA SER A 55 3.264 -0.066 -6.019 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.223 1.505 -8.412 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.543 0.049 -7.713 1.00 0.00 H new ATOM 0 HG SER A 55 0.665 2.341 -7.151 1.00 0.00 H new ATOM 852 N ARG A 56 5.508 0.701 -8.016 1.00 0.00 N ATOM 853 CA ARG A 56 6.504 0.246 -8.971 1.00 0.00 C ATOM 854 C ARG A 56 7.663 -0.419 -8.230 1.00 0.00 C ATOM 855 O ARG A 56 8.835 -0.248 -8.576 1.00 0.00 O ATOM 856 CB ARG A 56 6.992 1.431 -9.811 1.00 0.00 C ATOM 857 CG ARG A 56 7.776 1.030 -11.051 1.00 0.00 C ATOM 858 CD ARG A 56 7.979 2.211 -11.981 1.00 0.00 C ATOM 859 NE ARG A 56 6.706 2.774 -12.431 1.00 0.00 N ATOM 860 CZ ARG A 56 6.595 3.914 -13.112 1.00 0.00 C ATOM 861 NH1 ARG A 56 7.683 4.589 -13.465 1.00 0.00 N ATOM 862 NH2 ARG A 56 5.395 4.369 -13.453 1.00 0.00 N ATOM 0 H ARG A 56 5.769 1.548 -7.511 1.00 0.00 H new ATOM 0 HA ARG A 56 6.062 -0.490 -9.642 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.131 2.026 -10.115 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.618 2.070 -9.189 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.744 0.626 -10.756 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.246 0.236 -11.578 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.556 2.981 -11.470 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.563 1.896 -12.846 1.00 0.00 H new ATOM 0 HE ARG A 56 5.851 2.263 -12.210 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.606 4.235 -13.215 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.595 5.461 -13.986 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.559 3.846 -13.194 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.310 5.242 -13.974 1.00 0.00 H new ATOM 876 N GLY A 57 7.315 -1.192 -7.212 1.00 0.00 N ATOM 877 CA GLY A 57 8.311 -1.863 -6.404 1.00 0.00 C ATOM 878 C GLY A 57 7.947 -3.309 -6.142 1.00 0.00 C ATOM 879 O GLY A 57 6.802 -3.712 -6.344 1.00 0.00 O ATOM 0 H GLY A 57 6.351 -1.367 -6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.277 -1.818 -6.907 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.421 -1.339 -5.455 1.00 0.00 H new ATOM 883 N LEU A 58 8.919 -4.089 -5.693 1.00 0.00 N ATOM 884 CA LEU A 58 8.710 -5.512 -5.463 1.00 0.00 C ATOM 885 C LEU A 58 8.389 -5.770 -3.998 1.00 0.00 C ATOM 886 O LEU A 58 8.983 -5.162 -3.107 1.00 0.00 O ATOM 887 CB LEU A 58 9.949 -6.328 -5.875 1.00 0.00 C ATOM 888 CG LEU A 58 10.250 -6.395 -7.383 1.00 0.00 C ATOM 889 CD1 LEU A 58 9.001 -6.770 -8.168 1.00 0.00 C ATOM 890 CD2 LEU A 58 10.833 -5.082 -7.888 1.00 0.00 C ATOM 0 H LEU A 58 9.861 -3.761 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 58 7.867 -5.829 -6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.819 -5.907 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.827 -7.346 -5.505 1.00 0.00 H new ATOM 0 HG LEU A 58 10.997 -7.173 -7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.238 -6.811 -9.231 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.643 -7.745 -7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.226 -6.022 -7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 58 11.035 -5.161 -8.956 1.00 0.00 H new ATOM 0 HD22 LEU A 58 10.121 -4.276 -7.712 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.761 -4.868 -7.358 1.00 0.00 H new ATOM 902 N ILE A 59 7.448 -6.668 -3.752 1.00 0.00 N ATOM 903 CA ILE A 59 7.057 -7.005 -2.392 1.00 0.00 C ATOM 904 C ILE A 59 7.868 -8.196 -1.894 1.00 0.00 C ATOM 905 O ILE A 59 7.833 -9.274 -2.489 1.00 0.00 O ATOM 906 CB ILE A 59 5.551 -7.334 -2.298 1.00 0.00 C ATOM 907 CG1 ILE A 59 4.718 -6.177 -2.859 1.00 0.00 C ATOM 908 CG2 ILE A 59 5.164 -7.615 -0.852 1.00 0.00 C ATOM 909 CD1 ILE A 59 3.230 -6.454 -2.895 1.00 0.00 C ATOM 0 H ILE A 59 6.941 -7.177 -4.476 1.00 0.00 H new ATOM 0 HA ILE A 59 7.256 -6.134 -1.767 1.00 0.00 H new ATOM 0 HB ILE A 59 5.349 -8.225 -2.892 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.898 -5.287 -2.256 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.060 -5.952 -3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.100 -7.846 -0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.738 -8.463 -0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.376 -6.737 -0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.709 -5.589 -3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.037 -7.324 -3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.872 -6.649 -1.884 1.00 0.00 H new ATOM 921 N ALA A 60 8.602 -7.991 -0.811 1.00 0.00 N ATOM 922 CA ALA A 60 9.455 -9.030 -0.255 1.00 0.00 C ATOM 923 C ALA A 60 9.249 -9.140 1.250 1.00 0.00 C ATOM 924 O ALA A 60 8.671 -8.246 1.871 1.00 0.00 O ATOM 925 CB ALA A 60 10.915 -8.747 -0.576 1.00 0.00 C ATOM 0 H ALA A 60 8.624 -7.110 -0.298 1.00 0.00 H new ATOM 0 HA ALA A 60 9.181 -9.982 -0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.540 -9.534 -0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.051 -8.718 -1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.202 -7.786 -0.148 1.00 0.00 H new ATOM 931 N GLU A 61 9.719 -10.229 1.836 1.00 0.00 N ATOM 932 CA GLU A 61 9.539 -10.452 3.259 1.00 0.00 C ATOM 933 C GLU A 61 10.811 -10.117 4.033 1.00 0.00 C ATOM 934 O GLU A 61 11.896 -10.594 3.704 1.00 0.00 O ATOM 935 CB GLU A 61 9.129 -11.900 3.524 1.00 0.00 C ATOM 936 CG GLU A 61 8.649 -12.133 4.945 1.00 0.00 C ATOM 937 CD GLU A 61 8.343 -13.584 5.232 1.00 0.00 C ATOM 938 OE1 GLU A 61 7.505 -14.174 4.524 1.00 0.00 O ATOM 939 OE2 GLU A 61 8.940 -14.138 6.178 1.00 0.00 O ATOM 0 H GLU A 61 10.226 -10.969 1.350 1.00 0.00 H new ATOM 0 HA GLU A 61 8.745 -9.790 3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.337 -12.180 2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.977 -12.554 3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.410 -11.783 5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.755 -11.536 5.123 1.00 0.00 H new ATOM 946 N HIS A 62 10.664 -9.284 5.053 1.00 0.00 N ATOM 947 CA HIS A 62 11.771 -8.940 5.938 1.00 0.00 C ATOM 948 C HIS A 62 12.027 -10.094 6.900 1.00 0.00 C ATOM 949 O HIS A 62 13.158 -10.557 7.050 1.00 0.00 O ATOM 950 CB HIS A 62 11.436 -7.652 6.703 1.00 0.00 C ATOM 951 CG HIS A 62 12.487 -7.176 7.664 1.00 0.00 C ATOM 952 ND1 HIS A 62 12.181 -6.647 8.898 1.00 0.00 N ATOM 953 CD2 HIS A 62 13.836 -7.111 7.555 1.00 0.00 C ATOM 954 CE1 HIS A 62 13.291 -6.279 9.507 1.00 0.00 C ATOM 955 NE2 HIS A 62 14.309 -6.549 8.715 1.00 0.00 N ATOM 0 H HIS A 62 9.782 -8.830 5.291 1.00 0.00 H new ATOM 0 HA HIS A 62 12.675 -8.768 5.354 1.00 0.00 H new ATOM 0 HB2 HIS A 62 11.246 -6.860 5.979 1.00 0.00 H new ATOM 0 HB3 HIS A 62 10.509 -7.809 7.255 1.00 0.00 H new ATOM 0 HD1 HIS A 62 11.241 -6.554 9.282 1.00 0.00 H new ATOM 0 HD2 HIS A 62 14.428 -7.440 6.714 1.00 0.00 H new ATOM 0 HE1 HIS A 62 13.355 -5.832 10.488 1.00 0.00 H new ATOM 964 N GLN A 63 10.949 -10.549 7.527 1.00 0.00 N ATOM 965 CA GLN A 63 10.967 -11.685 8.443 1.00 0.00 C ATOM 966 C GLN A 63 9.584 -11.819 9.062 1.00 0.00 C ATOM 967 O GLN A 63 9.345 -11.365 10.180 1.00 0.00 O ATOM 968 CB GLN A 63 12.022 -11.510 9.545 1.00 0.00 C ATOM 969 CG GLN A 63 12.340 -12.797 10.292 1.00 0.00 C ATOM 970 CD GLN A 63 12.937 -13.866 9.391 1.00 0.00 C ATOM 971 OE1 GLN A 63 12.755 -15.062 9.620 1.00 0.00 O ATOM 972 NE2 GLN A 63 13.659 -13.446 8.360 1.00 0.00 N ATOM 0 H GLN A 63 10.024 -10.134 7.412 1.00 0.00 H new ATOM 0 HA GLN A 63 11.229 -12.585 7.887 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.938 -11.121 9.101 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.671 -10.763 10.257 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.037 -12.580 11.102 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.429 -13.181 10.750 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.788 -12.447 8.201 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.085 -14.122 7.726 1.00 0.00 H new ATOM 981 N GLY A 64 8.660 -12.396 8.310 1.00 0.00 N ATOM 982 CA GLY A 64 7.269 -12.408 8.722 1.00 0.00 C ATOM 983 C GLY A 64 6.539 -11.159 8.253 1.00 0.00 C ATOM 984 O GLY A 64 5.338 -11.192 7.974 1.00 0.00 O ATOM 0 H GLY A 64 8.847 -12.858 7.420 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.776 -13.292 8.318 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.211 -12.479 9.808 1.00 0.00 H new ATOM 988 N GLU A 65 7.274 -10.054 8.165 1.00 0.00 N ATOM 989 CA GLU A 65 6.722 -8.781 7.710 1.00 0.00 C ATOM 990 C GLU A 65 6.828 -8.661 6.199 1.00 0.00 C ATOM 991 O GLU A 65 7.809 -9.109 5.604 1.00 0.00 O ATOM 992 CB GLU A 65 7.488 -7.612 8.319 1.00 0.00 C ATOM 993 CG GLU A 65 7.747 -7.721 9.806 1.00 0.00 C ATOM 994 CD GLU A 65 8.632 -6.597 10.289 1.00 0.00 C ATOM 995 OE1 GLU A 65 9.717 -6.405 9.699 1.00 0.00 O ATOM 996 OE2 GLU A 65 8.252 -5.898 11.247 1.00 0.00 O ATOM 0 H GLU A 65 8.264 -10.015 8.406 1.00 0.00 H new ATOM 0 HA GLU A 65 5.678 -8.752 8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.445 -7.517 7.805 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.931 -6.694 8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.800 -7.699 10.345 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.218 -8.679 10.027 1.00 0.00 H new ATOM 1003 N LEU A 66 5.841 -8.027 5.589 1.00 0.00 N ATOM 1004 CA LEU A 66 5.873 -7.774 4.160 1.00 0.00 C ATOM 1005 C LEU A 66 6.286 -6.336 3.887 1.00 0.00 C ATOM 1006 O LEU A 66 5.622 -5.388 4.316 1.00 0.00 O ATOM 1007 CB LEU A 66 4.514 -8.066 3.526 1.00 0.00 C ATOM 1008 CG LEU A 66 4.063 -9.524 3.606 1.00 0.00 C ATOM 1009 CD1 LEU A 66 2.689 -9.682 2.985 1.00 0.00 C ATOM 1010 CD2 LEU A 66 5.067 -10.436 2.917 1.00 0.00 C ATOM 0 H LEU A 66 5.007 -7.678 6.062 1.00 0.00 H new ATOM 0 HA LEU A 66 6.609 -8.441 3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.763 -7.442 4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.548 -7.769 2.478 1.00 0.00 H new ATOM 0 HG LEU A 66 4.007 -9.811 4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.379 -10.725 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.974 -9.058 3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.725 -9.377 1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.727 -11.469 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.156 -10.152 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.038 -10.341 3.403 1.00 0.00 H new ATOM 1022 N TRP A 67 7.392 -6.185 3.184 1.00 0.00 N ATOM 1023 CA TRP A 67 7.923 -4.875 2.857 1.00 0.00 C ATOM 1024 C TRP A 67 7.918 -4.673 1.350 1.00 0.00 C ATOM 1025 O TRP A 67 8.212 -5.598 0.591 1.00 0.00 O ATOM 1026 CB TRP A 67 9.356 -4.726 3.379 1.00 0.00 C ATOM 1027 CG TRP A 67 9.473 -4.587 4.870 1.00 0.00 C ATOM 1028 CD1 TRP A 67 9.154 -5.516 5.819 1.00 0.00 C ATOM 1029 CD2 TRP A 67 9.970 -3.446 5.578 1.00 0.00 C ATOM 1030 NE1 TRP A 67 9.429 -5.023 7.073 1.00 0.00 N ATOM 1031 CE2 TRP A 67 9.928 -3.753 6.951 1.00 0.00 C ATOM 1032 CE3 TRP A 67 10.446 -2.195 5.184 1.00 0.00 C ATOM 1033 CZ2 TRP A 67 10.346 -2.855 7.929 1.00 0.00 C ATOM 1034 CZ3 TRP A 67 10.861 -1.304 6.155 1.00 0.00 C ATOM 1035 CH2 TRP A 67 10.810 -1.638 7.513 1.00 0.00 C ATOM 0 H TRP A 67 7.946 -6.963 2.825 1.00 0.00 H new ATOM 0 HA TRP A 67 7.291 -4.124 3.331 1.00 0.00 H new ATOM 0 HB2 TRP A 67 9.935 -5.594 3.063 1.00 0.00 H new ATOM 0 HB3 TRP A 67 9.809 -3.853 2.910 1.00 0.00 H new ATOM 0 HD1 TRP A 67 8.746 -6.495 5.615 1.00 0.00 H new ATOM 0 HE1 TRP A 67 9.285 -5.522 7.951 1.00 0.00 H new ATOM 0 HE3 TRP A 67 10.489 -1.928 4.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.305 -3.110 8.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 11.231 -0.333 5.861 1.00 0.00 H new ATOM 0 HH2 TRP A 67 11.144 -0.920 8.247 1.00 0.00 H new ATOM 1046 N VAL A 68 7.579 -3.474 0.919 1.00 0.00 N ATOM 1047 CA VAL A 68 7.666 -3.138 -0.489 1.00 0.00 C ATOM 1048 C VAL A 68 8.984 -2.419 -0.756 1.00 0.00 C ATOM 1049 O VAL A 68 9.318 -1.433 -0.096 1.00 0.00 O ATOM 1050 CB VAL A 68 6.466 -2.273 -0.959 1.00 0.00 C ATOM 1051 CG1 VAL A 68 6.357 -0.985 -0.157 1.00 0.00 C ATOM 1052 CG2 VAL A 68 6.570 -1.973 -2.448 1.00 0.00 C ATOM 0 H VAL A 68 7.243 -2.720 1.519 1.00 0.00 H new ATOM 0 HA VAL A 68 7.630 -4.064 -1.062 1.00 0.00 H new ATOM 0 HB VAL A 68 5.556 -2.848 -0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.506 -0.405 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.217 -1.224 0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.270 -0.402 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.719 -1.366 -2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.494 -1.430 -2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.571 -2.908 -3.008 1.00 0.00 H new ATOM 1062 N ALA A 69 9.753 -2.952 -1.689 1.00 0.00 N ATOM 1063 CA ALA A 69 11.044 -2.385 -2.030 1.00 0.00 C ATOM 1064 C ALA A 69 11.026 -1.842 -3.448 1.00 0.00 C ATOM 1065 O ALA A 69 10.995 -2.605 -4.418 1.00 0.00 O ATOM 1066 CB ALA A 69 12.141 -3.430 -1.867 1.00 0.00 C ATOM 0 H ALA A 69 9.503 -3.782 -2.227 1.00 0.00 H new ATOM 0 HA ALA A 69 11.253 -1.559 -1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 69 13.104 -2.990 -2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.166 -3.773 -0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.939 -4.275 -2.525 1.00 0.00 H new ATOM 1072 N SER A 70 11.020 -0.528 -3.567 1.00 0.00 N ATOM 1073 CA SER A 70 11.002 0.115 -4.866 1.00 0.00 C ATOM 1074 C SER A 70 12.418 0.228 -5.422 1.00 0.00 C ATOM 1075 O SER A 70 13.284 0.860 -4.815 1.00 0.00 O ATOM 1076 CB SER A 70 10.354 1.494 -4.755 1.00 0.00 C ATOM 1077 OG SER A 70 9.047 1.396 -4.215 1.00 0.00 O ATOM 0 H SER A 70 11.027 0.117 -2.777 1.00 0.00 H new ATOM 0 HA SER A 70 10.414 -0.492 -5.554 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.966 2.138 -4.123 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.311 1.961 -5.739 1.00 0.00 H new ATOM 0 HG SER A 70 8.652 2.290 -4.151 1.00 0.00 H new ATOM 1083 N PRO A 71 12.673 -0.390 -6.587 1.00 0.00 N ATOM 1084 CA PRO A 71 13.995 -0.371 -7.222 1.00 0.00 C ATOM 1085 C PRO A 71 14.354 1.004 -7.781 1.00 0.00 C ATOM 1086 O PRO A 71 15.400 1.176 -8.400 1.00 0.00 O ATOM 1087 CB PRO A 71 13.864 -1.393 -8.351 1.00 0.00 C ATOM 1088 CG PRO A 71 12.410 -1.428 -8.667 1.00 0.00 C ATOM 1089 CD PRO A 71 11.696 -1.171 -7.370 1.00 0.00 C ATOM 0 HA PRO A 71 14.789 -0.602 -6.512 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.451 -1.098 -9.221 1.00 0.00 H new ATOM 0 HB3 PRO A 71 14.225 -2.374 -8.041 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.154 -0.672 -9.409 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.125 -2.394 -9.084 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.770 -0.616 -7.525 1.00 0.00 H new ATOM 0 HD3 PRO A 71 11.430 -2.101 -6.867 1.00 0.00 H new ATOM 1097 N LEU A 72 13.475 1.975 -7.560 1.00 0.00 N ATOM 1098 CA LEU A 72 13.729 3.344 -7.979 1.00 0.00 C ATOM 1099 C LEU A 72 14.922 3.906 -7.216 1.00 0.00 C ATOM 1100 O LEU A 72 16.012 4.053 -7.770 1.00 0.00 O ATOM 1101 CB LEU A 72 12.496 4.235 -7.756 1.00 0.00 C ATOM 1102 CG LEU A 72 11.312 3.995 -8.706 1.00 0.00 C ATOM 1103 CD1 LEU A 72 10.631 2.665 -8.417 1.00 0.00 C ATOM 1104 CD2 LEU A 72 10.313 5.137 -8.600 1.00 0.00 C ATOM 0 H LEU A 72 12.579 1.837 -7.092 1.00 0.00 H new ATOM 0 HA LEU A 72 13.950 3.336 -9.046 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.150 4.093 -6.732 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.804 5.277 -7.847 1.00 0.00 H new ATOM 0 HG LEU A 72 11.699 3.957 -9.724 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.798 2.526 -9.106 1.00 0.00 H new ATOM 0 HD12 LEU A 72 11.348 1.854 -8.545 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.259 2.662 -7.392 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.479 4.955 -9.278 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.942 5.202 -7.577 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.801 6.074 -8.869 1.00 0.00 H new ATOM 1116 N LYS A 73 14.728 4.195 -5.934 1.00 0.00 N ATOM 1117 CA LYS A 73 15.806 4.718 -5.109 1.00 0.00 C ATOM 1118 C LYS A 73 15.936 3.935 -3.808 1.00 0.00 C ATOM 1119 O LYS A 73 16.417 4.456 -2.805 1.00 0.00 O ATOM 1120 CB LYS A 73 15.608 6.214 -4.846 1.00 0.00 C ATOM 1121 CG LYS A 73 15.905 7.068 -6.071 1.00 0.00 C ATOM 1122 CD LYS A 73 17.330 6.840 -6.558 1.00 0.00 C ATOM 1123 CE LYS A 73 17.555 7.378 -7.965 1.00 0.00 C ATOM 1124 NZ LYS A 73 17.465 8.859 -8.029 1.00 0.00 N ATOM 0 H LYS A 73 13.839 4.076 -5.448 1.00 0.00 H new ATOM 0 HA LYS A 73 16.741 4.595 -5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.581 6.390 -4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 73 16.256 6.524 -4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.201 6.827 -6.867 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.763 8.121 -5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.027 7.321 -5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.551 5.773 -6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 73 18.536 7.061 -8.319 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.817 6.943 -8.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.625 9.175 -9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.521 9.163 -7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.186 9.278 -7.407 1.00 0.00 H new ATOM 1138 N LYS A 74 15.497 2.674 -3.854 1.00 0.00 N ATOM 1139 CA LYS A 74 15.757 1.698 -2.791 1.00 0.00 C ATOM 1140 C LYS A 74 14.949 1.999 -1.525 1.00 0.00 C ATOM 1141 O LYS A 74 15.331 1.595 -0.426 1.00 0.00 O ATOM 1142 CB LYS A 74 17.262 1.660 -2.478 1.00 0.00 C ATOM 1143 CG LYS A 74 17.734 0.377 -1.809 1.00 0.00 C ATOM 1144 CD LYS A 74 17.551 -0.825 -2.721 1.00 0.00 C ATOM 1145 CE LYS A 74 18.243 -2.059 -2.163 1.00 0.00 C ATOM 1146 NZ LYS A 74 19.712 -1.862 -2.047 1.00 0.00 N ATOM 0 H LYS A 74 14.951 2.300 -4.630 1.00 0.00 H new ATOM 0 HA LYS A 74 15.437 0.719 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 74 17.817 1.797 -3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 74 17.508 2.503 -1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.785 0.472 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 74 17.178 0.222 -0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 74 16.488 -1.029 -2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.951 -0.598 -3.709 1.00 0.00 H new ATOM 0 HE2 LYS A 74 17.829 -2.296 -1.183 1.00 0.00 H new ATOM 0 HE3 LYS A 74 18.041 -2.913 -2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.185 -2.788 -2.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.057 -1.327 -2.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 19.924 -1.333 -1.177 1.00 0.00 H new ATOM 1160 N GLN A 75 13.821 2.679 -1.682 1.00 0.00 N ATOM 1161 CA GLN A 75 12.946 2.962 -0.549 1.00 0.00 C ATOM 1162 C GLN A 75 12.189 1.701 -0.134 1.00 0.00 C ATOM 1163 O GLN A 75 11.744 0.920 -0.986 1.00 0.00 O ATOM 1164 CB GLN A 75 11.955 4.082 -0.877 1.00 0.00 C ATOM 1165 CG GLN A 75 11.121 3.824 -2.121 1.00 0.00 C ATOM 1166 CD GLN A 75 11.665 4.524 -3.348 1.00 0.00 C ATOM 1167 OE1 GLN A 75 12.504 3.983 -4.076 1.00 0.00 O ATOM 1168 NE2 GLN A 75 11.179 5.727 -3.593 1.00 0.00 N ATOM 0 H GLN A 75 13.491 3.043 -2.576 1.00 0.00 H new ATOM 0 HA GLN A 75 13.572 3.293 0.280 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.287 4.223 -0.027 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.505 5.014 -1.008 1.00 0.00 H new ATOM 0 HG2 GLN A 75 11.080 2.751 -2.309 1.00 0.00 H new ATOM 0 HG3 GLN A 75 10.098 4.156 -1.942 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.487 6.135 -2.964 1.00 0.00 H new ATOM 0 HE22 GLN A 75 11.495 6.248 -4.411 1.00 0.00 H new ATOM 1177 N ARG A 76 12.058 1.496 1.170 1.00 0.00 N ATOM 1178 CA ARG A 76 11.383 0.319 1.695 1.00 0.00 C ATOM 1179 C ARG A 76 10.289 0.718 2.680 1.00 0.00 C ATOM 1180 O ARG A 76 10.511 1.538 3.575 1.00 0.00 O ATOM 1181 CB ARG A 76 12.383 -0.608 2.387 1.00 0.00 C ATOM 1182 CG ARG A 76 13.588 -0.952 1.530 1.00 0.00 C ATOM 1183 CD ARG A 76 14.502 -1.940 2.229 1.00 0.00 C ATOM 1184 NE ARG A 76 13.885 -3.264 2.344 1.00 0.00 N ATOM 1185 CZ ARG A 76 14.355 -4.236 3.124 1.00 0.00 C ATOM 1186 NH1 ARG A 76 15.382 -4.004 3.929 1.00 0.00 N ATOM 1187 NH2 ARG A 76 13.778 -5.433 3.117 1.00 0.00 N ATOM 0 H ARG A 76 12.412 2.132 1.884 1.00 0.00 H new ATOM 0 HA ARG A 76 10.928 -0.209 0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.726 -0.136 3.308 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.875 -1.530 2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.253 -1.372 0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.143 -0.043 1.298 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.439 -2.022 1.677 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.749 -1.566 3.223 1.00 0.00 H new ATOM 0 HE ARG A 76 13.047 -3.452 1.795 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.814 -3.080 3.952 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.741 -4.749 4.526 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.974 -5.608 2.514 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.139 -6.177 3.715 1.00 0.00 H new ATOM 1201 N PHE A 77 9.110 0.136 2.511 1.00 0.00 N ATOM 1202 CA PHE A 77 7.978 0.433 3.381 1.00 0.00 C ATOM 1203 C PHE A 77 7.348 -0.854 3.905 1.00 0.00 C ATOM 1204 O PHE A 77 7.142 -1.806 3.149 1.00 0.00 O ATOM 1205 CB PHE A 77 6.917 1.247 2.628 1.00 0.00 C ATOM 1206 CG PHE A 77 7.431 2.537 2.056 1.00 0.00 C ATOM 1207 CD1 PHE A 77 7.973 2.575 0.781 1.00 0.00 C ATOM 1208 CD2 PHE A 77 7.374 3.708 2.790 1.00 0.00 C ATOM 1209 CE1 PHE A 77 8.449 3.759 0.251 1.00 0.00 C ATOM 1210 CE2 PHE A 77 7.849 4.894 2.265 1.00 0.00 C ATOM 1211 CZ PHE A 77 8.387 4.919 0.994 1.00 0.00 C ATOM 0 H PHE A 77 8.911 -0.546 1.779 1.00 0.00 H new ATOM 0 HA PHE A 77 8.349 1.018 4.223 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.513 0.638 1.819 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.092 1.465 3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.024 1.669 0.195 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.953 3.695 3.785 1.00 0.00 H new ATOM 0 HE1 PHE A 77 8.869 3.776 -0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 77 7.800 5.801 2.849 1.00 0.00 H new ATOM 0 HZ PHE A 77 8.759 5.846 0.582 1.00 0.00 H new ATOM 1221 N ARG A 78 7.053 -0.878 5.199 1.00 0.00 N ATOM 1222 CA ARG A 78 6.361 -2.005 5.811 1.00 0.00 C ATOM 1223 C ARG A 78 4.861 -1.834 5.613 1.00 0.00 C ATOM 1224 O ARG A 78 4.252 -0.921 6.172 1.00 0.00 O ATOM 1225 CB ARG A 78 6.712 -2.106 7.303 1.00 0.00 C ATOM 1226 CG ARG A 78 6.129 -3.334 7.992 1.00 0.00 C ATOM 1227 CD ARG A 78 6.728 -3.547 9.378 1.00 0.00 C ATOM 1228 NE ARG A 78 6.398 -2.466 10.311 1.00 0.00 N ATOM 1229 CZ ARG A 78 6.715 -2.476 11.611 1.00 0.00 C ATOM 1230 NH1 ARG A 78 7.361 -3.511 12.140 1.00 0.00 N ATOM 1231 NH2 ARG A 78 6.374 -1.453 12.386 1.00 0.00 N ATOM 0 H ARG A 78 7.284 -0.125 5.848 1.00 0.00 H new ATOM 0 HA ARG A 78 6.680 -2.932 5.335 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.797 -2.121 7.411 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.354 -1.211 7.812 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.048 -3.224 8.077 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.312 -4.216 7.378 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.368 -4.493 9.783 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.812 -3.629 9.292 1.00 0.00 H new ATOM 0 HE ARG A 78 5.896 -1.656 9.947 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.619 -4.305 11.554 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.599 -3.511 13.132 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.870 -0.659 11.990 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.616 -1.461 13.377 1.00 0.00 H new ATOM 1245 N LEU A 79 4.275 -2.719 4.817 1.00 0.00 N ATOM 1246 CA LEU A 79 2.890 -2.571 4.363 1.00 0.00 C ATOM 1247 C LEU A 79 1.887 -2.591 5.516 1.00 0.00 C ATOM 1248 O LEU A 79 0.800 -2.020 5.411 1.00 0.00 O ATOM 1249 CB LEU A 79 2.552 -3.685 3.370 1.00 0.00 C ATOM 1250 CG LEU A 79 3.388 -3.693 2.088 1.00 0.00 C ATOM 1251 CD1 LEU A 79 3.014 -4.884 1.219 1.00 0.00 C ATOM 1252 CD2 LEU A 79 3.198 -2.394 1.322 1.00 0.00 C ATOM 0 H LEU A 79 4.740 -3.557 4.467 1.00 0.00 H new ATOM 0 HA LEU A 79 2.811 -1.596 3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.675 -4.645 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.500 -3.600 3.098 1.00 0.00 H new ATOM 0 HG LEU A 79 4.440 -3.781 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.617 -4.876 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.198 -5.807 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.958 -4.824 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.799 -2.416 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.147 -2.277 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.511 -1.556 1.944 1.00 0.00 H new ATOM 1264 N SER A 80 2.256 -3.242 6.607 1.00 0.00 N ATOM 1265 CA SER A 80 1.346 -3.443 7.724 1.00 0.00 C ATOM 1266 C SER A 80 1.022 -2.138 8.457 1.00 0.00 C ATOM 1267 O SER A 80 -0.146 -1.831 8.693 1.00 0.00 O ATOM 1268 CB SER A 80 1.945 -4.461 8.691 1.00 0.00 C ATOM 1269 OG SER A 80 2.327 -5.637 7.999 1.00 0.00 O ATOM 0 H SER A 80 3.184 -3.642 6.744 1.00 0.00 H new ATOM 0 HA SER A 80 0.405 -3.820 7.322 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.811 -4.029 9.192 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.218 -4.707 9.465 1.00 0.00 H new ATOM 0 HG SER A 80 2.711 -6.279 8.632 1.00 0.00 H new ATOM 1275 N ASP A 81 2.043 -1.366 8.809 1.00 0.00 N ATOM 1276 CA ASP A 81 1.838 -0.170 9.623 1.00 0.00 C ATOM 1277 C ASP A 81 2.168 1.103 8.851 1.00 0.00 C ATOM 1278 O ASP A 81 1.765 2.197 9.246 1.00 0.00 O ATOM 1279 CB ASP A 81 2.689 -0.237 10.893 1.00 0.00 C ATOM 1280 CG ASP A 81 4.169 -0.060 10.617 1.00 0.00 C ATOM 1281 OD1 ASP A 81 4.658 -0.570 9.584 1.00 0.00 O ATOM 1282 OD2 ASP A 81 4.855 0.577 11.443 1.00 0.00 O ATOM 0 H ASP A 81 3.013 -1.542 8.548 1.00 0.00 H new ATOM 0 HA ASP A 81 0.782 -0.138 9.893 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.359 0.535 11.588 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.528 -1.197 11.383 1.00 0.00 H new ATOM 1287 N GLY A 82 2.900 0.961 7.756 1.00 0.00 N ATOM 1288 CA GLY A 82 3.257 2.111 6.951 1.00 0.00 C ATOM 1289 C GLY A 82 4.613 2.680 7.323 1.00 0.00 C ATOM 1290 O GLY A 82 4.948 3.802 6.938 1.00 0.00 O ATOM 0 H GLY A 82 3.254 0.069 7.410 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.262 1.827 5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.497 2.884 7.069 1.00 0.00 H new ATOM 1294 N LEU A 83 5.391 1.916 8.076 1.00 0.00 N ATOM 1295 CA LEU A 83 6.726 2.350 8.465 1.00 0.00 C ATOM 1296 C LEU A 83 7.674 2.307 7.278 1.00 0.00 C ATOM 1297 O LEU A 83 7.694 1.338 6.523 1.00 0.00 O ATOM 1298 CB LEU A 83 7.291 1.467 9.578 1.00 0.00 C ATOM 1299 CG LEU A 83 8.720 1.819 10.004 1.00 0.00 C ATOM 1300 CD1 LEU A 83 8.742 3.115 10.798 1.00 0.00 C ATOM 1301 CD2 LEU A 83 9.344 0.683 10.796 1.00 0.00 C ATOM 0 H LEU A 83 5.123 0.997 8.429 1.00 0.00 H new ATOM 0 HA LEU A 83 6.639 3.374 8.828 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.638 1.538 10.448 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.269 0.429 9.247 1.00 0.00 H new ATOM 0 HG LEU A 83 9.317 1.966 9.104 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.767 3.345 11.090 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.349 3.925 10.183 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.126 3.005 11.691 1.00 0.00 H new ATOM 0 HD21 LEU A 83 10.358 0.957 11.087 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.749 0.492 11.689 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.373 -0.216 10.181 1.00 0.00 H new ATOM 1313 N CYS A 84 8.455 3.356 7.118 1.00 0.00 N ATOM 1314 CA CYS A 84 9.500 3.369 6.117 1.00 0.00 C ATOM 1315 C CYS A 84 10.829 3.067 6.790 1.00 0.00 C ATOM 1316 O CYS A 84 11.107 3.583 7.867 1.00 0.00 O ATOM 1317 CB CYS A 84 9.552 4.725 5.413 1.00 0.00 C ATOM 1318 SG CYS A 84 10.814 4.847 4.122 1.00 0.00 S ATOM 0 H CYS A 84 8.385 4.211 7.669 1.00 0.00 H new ATOM 0 HA CYS A 84 9.292 2.609 5.363 1.00 0.00 H new ATOM 0 HB2 CYS A 84 8.577 4.929 4.972 1.00 0.00 H new ATOM 0 HB3 CYS A 84 9.734 5.501 6.157 1.00 0.00 H new ATOM 0 HG CYS A 84 10.239 4.909 2.958 1.00 0.00 H new ATOM 1324 N MET A 85 11.634 2.221 6.175 1.00 0.00 N ATOM 1325 CA MET A 85 12.919 1.848 6.752 1.00 0.00 C ATOM 1326 C MET A 85 13.868 3.045 6.754 1.00 0.00 C ATOM 1327 O MET A 85 14.664 3.225 7.677 1.00 0.00 O ATOM 1328 CB MET A 85 13.529 0.683 5.973 1.00 0.00 C ATOM 1329 CG MET A 85 14.627 -0.043 6.729 1.00 0.00 C ATOM 1330 SD MET A 85 15.196 -1.525 5.876 1.00 0.00 S ATOM 1331 CE MET A 85 16.172 -2.288 7.167 1.00 0.00 C ATOM 0 H MET A 85 11.425 1.779 5.280 1.00 0.00 H new ATOM 0 HA MET A 85 12.761 1.532 7.783 1.00 0.00 H new ATOM 0 HB2 MET A 85 12.741 -0.027 5.721 1.00 0.00 H new ATOM 0 HB3 MET A 85 13.933 1.057 5.032 1.00 0.00 H new ATOM 0 HG2 MET A 85 15.469 0.633 6.876 1.00 0.00 H new ATOM 0 HG3 MET A 85 14.261 -0.316 7.719 1.00 0.00 H new ATOM 0 HE1 MET A 85 16.597 -3.222 6.798 1.00 0.00 H new ATOM 0 HE2 MET A 85 16.977 -1.614 7.461 1.00 0.00 H new ATOM 0 HE3 MET A 85 15.538 -2.494 8.029 1.00 0.00 H new ATOM 1341 N GLU A 86 13.757 3.867 5.722 1.00 0.00 N ATOM 1342 CA GLU A 86 14.599 5.044 5.572 1.00 0.00 C ATOM 1343 C GLU A 86 13.977 6.242 6.283 1.00 0.00 C ATOM 1344 O GLU A 86 14.639 6.944 7.045 1.00 0.00 O ATOM 1345 CB GLU A 86 14.790 5.385 4.087 1.00 0.00 C ATOM 1346 CG GLU A 86 15.363 4.256 3.234 1.00 0.00 C ATOM 1347 CD GLU A 86 14.417 3.077 3.095 1.00 0.00 C ATOM 1348 OE1 GLU A 86 13.214 3.301 2.846 1.00 0.00 O ATOM 1349 OE2 GLU A 86 14.866 1.928 3.275 1.00 0.00 O ATOM 0 H GLU A 86 13.083 3.738 4.967 1.00 0.00 H new ATOM 0 HA GLU A 86 15.568 4.821 6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.827 5.681 3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.450 6.249 4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.601 4.642 2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.299 3.914 3.676 1.00 0.00 H new ATOM 1356 N ASP A 87 12.692 6.445 6.037 1.00 0.00 N ATOM 1357 CA ASP A 87 11.960 7.614 6.527 1.00 0.00 C ATOM 1358 C ASP A 87 11.346 7.363 7.906 1.00 0.00 C ATOM 1359 O ASP A 87 10.490 8.120 8.344 1.00 0.00 O ATOM 1360 CB ASP A 87 10.877 8.037 5.526 1.00 0.00 C ATOM 1361 CG ASP A 87 10.290 9.403 5.841 1.00 0.00 C ATOM 1362 OD1 ASP A 87 11.008 10.416 5.689 1.00 0.00 O ATOM 1363 OD2 ASP A 87 9.114 9.468 6.249 1.00 0.00 O ATOM 0 H ASP A 87 12.120 5.803 5.489 1.00 0.00 H new ATOM 0 HA ASP A 87 12.679 8.427 6.629 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.301 8.051 4.522 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.079 7.294 5.525 1.00 0.00 H new ATOM 1368 N GLU A 88 11.735 6.258 8.548 1.00 0.00 N ATOM 1369 CA GLU A 88 11.217 5.860 9.876 1.00 0.00 C ATOM 1370 C GLU A 88 10.978 7.034 10.845 1.00 0.00 C ATOM 1371 O GLU A 88 10.148 6.927 11.749 1.00 0.00 O ATOM 1372 CB GLU A 88 12.145 4.813 10.517 1.00 0.00 C ATOM 1373 CG GLU A 88 13.638 5.095 10.364 1.00 0.00 C ATOM 1374 CD GLU A 88 14.133 6.242 11.221 1.00 0.00 C ATOM 1375 OE1 GLU A 88 14.203 6.080 12.459 1.00 0.00 O ATOM 1376 OE2 GLU A 88 14.458 7.308 10.663 1.00 0.00 O ATOM 0 H GLU A 88 12.421 5.606 8.166 1.00 0.00 H new ATOM 0 HA GLU A 88 10.233 5.428 9.693 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.911 4.743 11.579 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.927 3.839 10.078 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.197 4.195 10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.851 5.316 9.318 1.00 0.00 H new ATOM 1383 N GLN A 89 11.708 8.131 10.658 1.00 0.00 N ATOM 1384 CA GLN A 89 11.471 9.376 11.390 1.00 0.00 C ATOM 1385 C GLN A 89 9.992 9.791 11.363 1.00 0.00 C ATOM 1386 O GLN A 89 9.464 10.280 12.362 1.00 0.00 O ATOM 1387 CB GLN A 89 12.335 10.497 10.798 1.00 0.00 C ATOM 1388 CG GLN A 89 12.299 10.556 9.276 1.00 0.00 C ATOM 1389 CD GLN A 89 13.125 11.688 8.701 1.00 0.00 C ATOM 1390 OE1 GLN A 89 14.105 12.126 9.300 1.00 0.00 O ATOM 1391 NE2 GLN A 89 12.754 12.148 7.518 1.00 0.00 N ATOM 0 H GLN A 89 12.481 8.183 9.995 1.00 0.00 H new ATOM 0 HA GLN A 89 11.745 9.203 12.431 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.999 11.453 11.198 1.00 0.00 H new ATOM 0 HB3 GLN A 89 13.366 10.360 11.124 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.662 9.610 8.874 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.265 10.666 8.948 1.00 0.00 H new ATOM 0 HE21 GLN A 89 11.934 11.758 7.053 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.288 12.893 7.070 1.00 0.00 H new ATOM 1400 N PHE A 90 9.333 9.590 10.225 1.00 0.00 N ATOM 1401 CA PHE A 90 7.932 9.967 10.069 1.00 0.00 C ATOM 1402 C PHE A 90 7.130 8.847 9.401 1.00 0.00 C ATOM 1403 O PHE A 90 6.102 8.416 9.928 1.00 0.00 O ATOM 1404 CB PHE A 90 7.831 11.263 9.256 1.00 0.00 C ATOM 1405 CG PHE A 90 6.423 11.743 9.046 1.00 0.00 C ATOM 1406 CD1 PHE A 90 5.621 12.074 10.128 1.00 0.00 C ATOM 1407 CD2 PHE A 90 5.899 11.860 7.767 1.00 0.00 C ATOM 1408 CE1 PHE A 90 4.326 12.512 9.937 1.00 0.00 C ATOM 1409 CE2 PHE A 90 4.605 12.297 7.572 1.00 0.00 C ATOM 1410 CZ PHE A 90 3.816 12.623 8.658 1.00 0.00 C ATOM 0 H PHE A 90 9.749 9.167 9.395 1.00 0.00 H new ATOM 0 HA PHE A 90 7.506 10.133 11.058 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.398 12.043 9.763 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.300 11.108 8.284 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.014 11.988 11.130 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.511 11.606 6.914 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.712 12.768 10.787 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.209 12.384 6.571 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.802 12.964 8.507 1.00 0.00 H new ATOM 1420 N SER A 91 7.618 8.381 8.246 1.00 0.00 N ATOM 1421 CA SER A 91 6.986 7.303 7.480 1.00 0.00 C ATOM 1422 C SER A 91 5.690 7.765 6.806 1.00 0.00 C ATOM 1423 O SER A 91 5.293 8.924 6.922 1.00 0.00 O ATOM 1424 CB SER A 91 6.738 6.084 8.368 1.00 0.00 C ATOM 1425 OG SER A 91 7.959 5.607 8.905 1.00 0.00 O ATOM 0 H SER A 91 8.468 8.744 7.814 1.00 0.00 H new ATOM 0 HA SER A 91 7.676 7.017 6.686 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.056 6.348 9.177 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.256 5.296 7.789 1.00 0.00 H new ATOM 0 HG SER A 91 8.137 6.052 9.760 1.00 0.00 H new ATOM 1431 N VAL A 92 5.035 6.853 6.095 1.00 0.00 N ATOM 1432 CA VAL A 92 3.867 7.203 5.295 1.00 0.00 C ATOM 1433 C VAL A 92 2.570 7.027 6.077 1.00 0.00 C ATOM 1434 O VAL A 92 2.579 6.653 7.252 1.00 0.00 O ATOM 1435 CB VAL A 92 3.793 6.370 3.995 1.00 0.00 C ATOM 1436 CG1 VAL A 92 4.987 6.655 3.104 1.00 0.00 C ATOM 1437 CG2 VAL A 92 3.692 4.883 4.298 1.00 0.00 C ATOM 0 H VAL A 92 5.293 5.867 6.056 1.00 0.00 H new ATOM 0 HA VAL A 92 3.982 8.255 5.036 1.00 0.00 H new ATOM 0 HB VAL A 92 2.889 6.665 3.462 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.914 6.058 2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.002 7.713 2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.905 6.399 3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.642 4.324 3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.569 4.567 4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.793 4.691 4.884 1.00 0.00 H new ATOM 1447 N LYS A 93 1.456 7.300 5.412 1.00 0.00 N ATOM 1448 CA LYS A 93 0.143 7.169 6.022 1.00 0.00 C ATOM 1449 C LYS A 93 -0.479 5.833 5.631 1.00 0.00 C ATOM 1450 O LYS A 93 -0.673 5.553 4.449 1.00 0.00 O ATOM 1451 CB LYS A 93 -0.762 8.323 5.578 1.00 0.00 C ATOM 1452 CG LYS A 93 -2.099 8.370 6.299 1.00 0.00 C ATOM 1453 CD LYS A 93 -2.966 9.503 5.780 1.00 0.00 C ATOM 1454 CE LYS A 93 -4.218 9.680 6.623 1.00 0.00 C ATOM 1455 NZ LYS A 93 -3.898 10.120 8.007 1.00 0.00 N ATOM 0 H LYS A 93 1.438 7.616 4.442 1.00 0.00 H new ATOM 0 HA LYS A 93 0.250 7.206 7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.239 9.265 5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.941 8.239 4.506 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.619 7.421 6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.933 8.497 7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.393 10.430 5.780 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.248 9.302 4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.872 10.413 6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.767 8.739 6.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.731 10.579 8.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.632 9.295 8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.107 10.794 7.983 1.00 0.00 H new ATOM 1469 N HIS A 94 -0.771 5.008 6.623 1.00 0.00 N ATOM 1470 CA HIS A 94 -1.368 3.702 6.378 1.00 0.00 C ATOM 1471 C HIS A 94 -2.890 3.790 6.407 1.00 0.00 C ATOM 1472 O HIS A 94 -3.468 4.420 7.290 1.00 0.00 O ATOM 1473 CB HIS A 94 -0.876 2.687 7.419 1.00 0.00 C ATOM 1474 CG HIS A 94 -1.521 1.337 7.304 1.00 0.00 C ATOM 1475 ND1 HIS A 94 -2.347 0.814 8.274 1.00 0.00 N ATOM 1476 CD2 HIS A 94 -1.465 0.409 6.322 1.00 0.00 C ATOM 1477 CE1 HIS A 94 -2.775 -0.372 7.891 1.00 0.00 C ATOM 1478 NE2 HIS A 94 -2.255 -0.643 6.710 1.00 0.00 N ATOM 0 H HIS A 94 -0.605 5.218 7.607 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.061 3.367 5.387 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.203 2.573 7.319 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.063 3.085 8.416 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.903 0.483 5.403 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.440 -1.014 8.450 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -2.414 -1.495 6.173 1.00 0.00 H new ATOM 1487 N TYR A 95 -3.525 3.159 5.431 1.00 0.00 N ATOM 1488 CA TYR A 95 -4.977 3.102 5.365 1.00 0.00 C ATOM 1489 C TYR A 95 -5.457 1.700 5.720 1.00 0.00 C ATOM 1490 O TYR A 95 -4.787 0.713 5.412 1.00 0.00 O ATOM 1491 CB TYR A 95 -5.465 3.475 3.960 1.00 0.00 C ATOM 1492 CG TYR A 95 -5.196 4.914 3.572 1.00 0.00 C ATOM 1493 CD1 TYR A 95 -3.947 5.314 3.115 1.00 0.00 C ATOM 1494 CD2 TYR A 95 -6.198 5.868 3.662 1.00 0.00 C ATOM 1495 CE1 TYR A 95 -3.706 6.627 2.759 1.00 0.00 C ATOM 1496 CE2 TYR A 95 -5.968 7.183 3.311 1.00 0.00 C ATOM 1497 CZ TYR A 95 -4.718 7.559 2.860 1.00 0.00 C ATOM 1498 OH TYR A 95 -4.478 8.866 2.500 1.00 0.00 O ATOM 0 H TYR A 95 -3.052 2.675 4.668 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.386 3.816 6.080 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.984 2.819 3.234 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.537 3.288 3.898 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -3.152 4.587 3.037 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.177 5.577 4.013 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.730 6.922 2.403 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.760 7.913 3.389 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.293 9.396 2.629 1.00 0.00 H new ATOM 1508 N GLU A 96 -6.604 1.610 6.376 1.00 0.00 N ATOM 1509 CA GLU A 96 -7.180 0.319 6.711 1.00 0.00 C ATOM 1510 C GLU A 96 -7.946 -0.221 5.515 1.00 0.00 C ATOM 1511 O GLU A 96 -8.890 0.408 5.040 1.00 0.00 O ATOM 1512 CB GLU A 96 -8.097 0.432 7.929 1.00 0.00 C ATOM 1513 CG GLU A 96 -7.363 0.804 9.210 1.00 0.00 C ATOM 1514 CD GLU A 96 -8.275 0.822 10.419 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -9.053 1.779 10.562 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -8.221 -0.131 11.229 1.00 0.00 O ATOM 0 H GLU A 96 -7.152 2.413 6.685 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.375 -0.372 6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.863 1.181 7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.610 -0.518 8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.554 0.094 9.380 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.905 1.786 9.090 1.00 0.00 H new ATOM 1523 N ALA A 97 -7.525 -1.371 5.019 1.00 0.00 N ATOM 1524 CA ALA A 97 -8.125 -1.943 3.827 1.00 0.00 C ATOM 1525 C ALA A 97 -8.867 -3.234 4.139 1.00 0.00 C ATOM 1526 O ALA A 97 -8.372 -4.082 4.886 1.00 0.00 O ATOM 1527 CB ALA A 97 -7.056 -2.194 2.776 1.00 0.00 C ATOM 0 H ALA A 97 -6.771 -1.927 5.423 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.851 -1.228 3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.515 -2.623 1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.572 -1.252 2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.313 -2.887 3.171 1.00 0.00 H new ATOM 1533 N ARG A 98 -10.052 -3.377 3.569 1.00 0.00 N ATOM 1534 CA ARG A 98 -10.810 -4.611 3.687 1.00 0.00 C ATOM 1535 C ARG A 98 -11.384 -4.979 2.328 1.00 0.00 C ATOM 1536 O ARG A 98 -11.734 -4.104 1.536 1.00 0.00 O ATOM 1537 CB ARG A 98 -11.949 -4.481 4.712 1.00 0.00 C ATOM 1538 CG ARG A 98 -13.133 -3.656 4.219 1.00 0.00 C ATOM 1539 CD ARG A 98 -14.308 -3.719 5.183 1.00 0.00 C ATOM 1540 NE ARG A 98 -15.498 -3.047 4.649 1.00 0.00 N ATOM 1541 CZ ARG A 98 -16.725 -3.165 5.164 1.00 0.00 C ATOM 1542 NH1 ARG A 98 -16.949 -3.966 6.199 1.00 0.00 N ATOM 1543 NH2 ARG A 98 -17.735 -2.499 4.620 1.00 0.00 N ATOM 0 H ARG A 98 -10.511 -2.651 3.018 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.136 -5.393 4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -12.300 -5.478 4.979 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.556 -4.027 5.622 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.824 -2.619 4.090 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.446 -4.019 3.240 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.546 -4.761 5.396 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.025 -3.257 6.129 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.381 -2.450 3.830 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -16.181 -4.498 6.608 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -17.889 -4.049 6.585 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.574 -1.899 3.811 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -18.673 -2.587 5.011 1.00 0.00 H new ATOM 1557 N VAL A 99 -11.455 -6.263 2.046 1.00 0.00 N ATOM 1558 CA VAL A 99 -12.074 -6.726 0.820 1.00 0.00 C ATOM 1559 C VAL A 99 -13.503 -7.156 1.105 1.00 0.00 C ATOM 1560 O VAL A 99 -13.749 -8.226 1.658 1.00 0.00 O ATOM 1561 CB VAL A 99 -11.279 -7.881 0.187 1.00 0.00 C ATOM 1562 CG1 VAL A 99 -11.926 -8.342 -1.109 1.00 0.00 C ATOM 1563 CG2 VAL A 99 -9.844 -7.445 -0.052 1.00 0.00 C ATOM 0 H VAL A 99 -11.093 -7.004 2.647 1.00 0.00 H new ATOM 0 HA VAL A 99 -12.078 -5.904 0.104 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.282 -8.726 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -11.344 -9.159 -1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -12.940 -8.686 -0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -11.958 -7.512 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.284 -8.266 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -9.832 -6.587 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.385 -7.169 0.897 1.00 0.00 H new ATOM 1573 N LYS A 100 -14.436 -6.294 0.745 1.00 0.00 N ATOM 1574 CA LYS A 100 -15.840 -6.514 1.031 1.00 0.00 C ATOM 1575 C LYS A 100 -16.539 -7.106 -0.177 1.00 0.00 C ATOM 1576 O LYS A 100 -16.720 -6.420 -1.184 1.00 0.00 O ATOM 1577 CB LYS A 100 -16.514 -5.194 1.392 1.00 0.00 C ATOM 1578 CG LYS A 100 -17.911 -5.361 1.967 1.00 0.00 C ATOM 1579 CD LYS A 100 -18.789 -4.155 1.672 1.00 0.00 C ATOM 1580 CE LYS A 100 -19.048 -4.020 0.180 1.00 0.00 C ATOM 1581 NZ LYS A 100 -20.113 -3.026 -0.117 1.00 0.00 N ATOM 0 H LYS A 100 -14.242 -5.425 0.248 1.00 0.00 H new ATOM 0 HA LYS A 100 -15.913 -7.207 1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -15.893 -4.665 2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -16.569 -4.568 0.501 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -18.371 -6.257 1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -17.846 -5.508 3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -19.737 -4.253 2.202 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.308 -3.251 2.044 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -18.127 -3.724 -0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -19.335 -4.990 -0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -20.256 -2.967 -1.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -21.000 -3.321 0.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -19.829 -2.094 0.247 1.00 0.00 H new ATOM 1595 N ASP A 101 -16.908 -8.380 -0.084 1.00 0.00 N ATOM 1596 CA ASP A 101 -17.683 -9.040 -1.133 1.00 0.00 C ATOM 1597 C ASP A 101 -16.890 -9.082 -2.445 1.00 0.00 C ATOM 1598 O ASP A 101 -17.454 -9.181 -3.536 1.00 0.00 O ATOM 1599 CB ASP A 101 -19.018 -8.301 -1.314 1.00 0.00 C ATOM 1600 CG ASP A 101 -20.009 -9.037 -2.191 1.00 0.00 C ATOM 1601 OD1 ASP A 101 -20.205 -10.251 -1.985 1.00 0.00 O ATOM 1602 OD2 ASP A 101 -20.638 -8.389 -3.055 1.00 0.00 O ATOM 0 H ASP A 101 -16.682 -8.979 0.710 1.00 0.00 H new ATOM 0 HA ASP A 101 -17.886 -10.071 -0.842 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -19.467 -8.135 -0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -18.824 -7.319 -1.746 1.00 0.00 H new ATOM 1607 N GLY A 102 -15.568 -9.036 -2.324 1.00 0.00 N ATOM 1608 CA GLY A 102 -14.713 -9.030 -3.494 1.00 0.00 C ATOM 1609 C GLY A 102 -14.336 -7.628 -3.941 1.00 0.00 C ATOM 1610 O GLY A 102 -13.652 -7.458 -4.954 1.00 0.00 O ATOM 0 H GLY A 102 -15.073 -9.003 -1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.805 -9.594 -3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.220 -9.543 -4.311 1.00 0.00 H new ATOM 1614 N VAL A 103 -14.773 -6.621 -3.192 1.00 0.00 N ATOM 1615 CA VAL A 103 -14.486 -5.235 -3.535 1.00 0.00 C ATOM 1616 C VAL A 103 -13.562 -4.609 -2.491 1.00 0.00 C ATOM 1617 O VAL A 103 -13.832 -4.680 -1.292 1.00 0.00 O ATOM 1618 CB VAL A 103 -15.787 -4.403 -3.636 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -15.484 -2.956 -3.995 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -16.738 -5.013 -4.656 1.00 0.00 C ATOM 0 H VAL A 103 -15.327 -6.740 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 103 -13.993 -5.230 -4.507 1.00 0.00 H new ATOM 0 HB VAL A 103 -16.269 -4.418 -2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.416 -2.394 -4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.848 -2.516 -3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -14.971 -2.919 -4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.646 -4.413 -4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.257 -5.035 -5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -16.993 -6.029 -4.354 1.00 0.00 H new ATOM 1630 N VAL A 104 -12.475 -4.000 -2.946 1.00 0.00 N ATOM 1631 CA VAL A 104 -11.502 -3.392 -2.048 1.00 0.00 C ATOM 1632 C VAL A 104 -12.045 -2.078 -1.489 1.00 0.00 C ATOM 1633 O VAL A 104 -12.353 -1.158 -2.246 1.00 0.00 O ATOM 1634 CB VAL A 104 -10.165 -3.102 -2.765 1.00 0.00 C ATOM 1635 CG1 VAL A 104 -9.119 -2.607 -1.775 1.00 0.00 C ATOM 1636 CG2 VAL A 104 -9.666 -4.338 -3.502 1.00 0.00 C ATOM 0 H VAL A 104 -12.244 -3.914 -3.936 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.324 -4.103 -1.242 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.339 -2.316 -3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.185 -2.409 -2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.471 -1.690 -1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.951 -3.367 -1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.723 -4.109 -3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.513 -5.149 -2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.404 -4.641 -4.245 1.00 0.00 H new ATOM 1646 N GLN A 105 -12.171 -1.999 -0.173 1.00 0.00 N ATOM 1647 CA GLN A 105 -12.600 -0.771 0.478 1.00 0.00 C ATOM 1648 C GLN A 105 -11.513 -0.250 1.402 1.00 0.00 C ATOM 1649 O GLN A 105 -10.812 -1.032 2.052 1.00 0.00 O ATOM 1650 CB GLN A 105 -13.887 -0.986 1.270 1.00 0.00 C ATOM 1651 CG GLN A 105 -15.098 -1.274 0.403 1.00 0.00 C ATOM 1652 CD GLN A 105 -16.379 -1.289 1.206 1.00 0.00 C ATOM 1653 OE1 GLN A 105 -16.379 -1.639 2.383 1.00 0.00 O ATOM 1654 NE2 GLN A 105 -17.479 -0.909 0.579 1.00 0.00 N ATOM 0 H GLN A 105 -11.982 -2.772 0.465 1.00 0.00 H new ATOM 0 HA GLN A 105 -12.792 -0.034 -0.302 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -13.742 -1.815 1.963 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -14.085 -0.099 1.872 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.170 -0.520 -0.381 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -14.969 -2.237 -0.092 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.436 -0.625 -0.400 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -18.371 -0.899 1.074 1.00 0.00 H new ATOM 1663 N LEU A 106 -11.376 1.065 1.456 1.00 0.00 N ATOM 1664 CA LEU A 106 -10.354 1.694 2.279 1.00 0.00 C ATOM 1665 C LEU A 106 -10.984 2.612 3.315 1.00 0.00 C ATOM 1666 O LEU A 106 -11.945 3.324 3.018 1.00 0.00 O ATOM 1667 CB LEU A 106 -9.390 2.509 1.411 1.00 0.00 C ATOM 1668 CG LEU A 106 -8.722 1.749 0.265 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -7.817 2.678 -0.526 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -7.933 0.563 0.792 1.00 0.00 C ATOM 0 H LEU A 106 -11.962 1.720 0.938 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.805 0.901 2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.935 3.355 0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.610 2.919 2.053 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.502 1.372 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.348 2.124 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.407 3.497 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.046 3.081 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.466 0.037 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.161 0.915 1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.604 -0.115 1.319 1.00 0.00 H new ATOM 1682 N ARG A 107 -10.447 2.580 4.527 1.00 0.00 N ATOM 1683 CA ARG A 107 -10.841 3.516 5.568 1.00 0.00 C ATOM 1684 C ARG A 107 -9.657 4.397 5.940 1.00 0.00 C ATOM 1685 O ARG A 107 -8.640 3.908 6.439 1.00 0.00 O ATOM 1686 CB ARG A 107 -11.365 2.786 6.812 1.00 0.00 C ATOM 1687 CG ARG A 107 -11.757 3.728 7.941 1.00 0.00 C ATOM 1688 CD ARG A 107 -12.458 3.002 9.078 1.00 0.00 C ATOM 1689 NE ARG A 107 -11.548 2.640 10.160 1.00 0.00 N ATOM 1690 CZ ARG A 107 -11.891 2.612 11.448 1.00 0.00 C ATOM 1691 NH1 ARG A 107 -13.139 2.889 11.822 1.00 0.00 N ATOM 1692 NH2 ARG A 107 -10.981 2.294 12.357 1.00 0.00 N ATOM 0 H ARG A 107 -9.733 1.911 4.814 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.650 4.134 5.180 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -12.230 2.183 6.534 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -10.599 2.098 7.171 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -10.865 4.224 8.324 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.412 4.507 7.551 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -13.252 3.635 9.473 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -12.932 2.100 8.690 1.00 0.00 H new ATOM 0 HE ARG A 107 -10.589 2.393 9.915 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -13.841 3.125 11.121 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -13.393 2.865 12.810 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -10.028 2.073 12.069 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.234 2.270 13.345 1.00 0.00 H new ATOM 1706 N GLY A 108 -9.788 5.688 5.680 1.00 0.00 N ATOM 1707 CA GLY A 108 -8.730 6.621 6.000 1.00 0.00 C ATOM 1708 C GLY A 108 -9.049 8.025 5.537 1.00 0.00 C ATOM 1709 O GLY A 108 -8.685 8.422 4.435 1.00 0.00 O ATOM 0 H GLY A 108 -10.613 6.108 5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -8.564 6.624 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -7.802 6.289 5.535 1.00 0.00 H new ATOM 1713 N GLY A 109 -9.735 8.770 6.382 1.00 0.00 N ATOM 1714 CA GLY A 109 -10.099 10.134 6.048 1.00 0.00 C ATOM 1715 C GLY A 109 -9.375 11.127 6.928 1.00 0.00 C ATOM 1716 O GLY A 109 -9.259 12.305 6.595 1.00 0.00 O ATOM 0 H GLY A 109 -10.050 8.457 7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.861 10.330 5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -11.176 10.263 6.160 1.00 0.00 H new ATOM 1720 N SER A 110 -8.894 10.642 8.058 1.00 0.00 N ATOM 1721 CA SER A 110 -8.134 11.450 8.992 1.00 0.00 C ATOM 1722 C SER A 110 -7.191 10.550 9.780 1.00 0.00 C ATOM 1723 O SER A 110 -5.971 10.607 9.535 1.00 0.00 O ATOM 1724 CB SER A 110 -9.073 12.207 9.936 1.00 0.00 C ATOM 1725 OG SER A 110 -9.938 13.074 9.213 1.00 0.00 O ATOM 1726 OXT SER A 110 -7.686 9.751 10.602 1.00 0.00 O ATOM 0 H SER A 110 -9.020 9.674 8.354 1.00 0.00 H new ATOM 0 HA SER A 110 -7.550 12.187 8.440 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.665 11.496 10.512 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.487 12.786 10.650 1.00 0.00 H new ATOM 0 HG SER A 110 -10.528 13.544 9.839 1.00 0.00 H new TER 1732 SER A 110