USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 739 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 43 ASN : amide:sc= -2.4 K(o=-2.1,f=-4.4!) USER MOD Set 1.2: A 45 THR OG1 : rot -23:sc= 0.29 USER MOD Set 2.1: A 24 MET CE :methyl -160:sc= 0 (180deg=0) USER MOD Set 2.2: A 65 ASN : amide:sc= -1.05 K(o=-1,f=-5.5!) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.064 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 48:sc= 0.512 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -1.12 K(o=-1.1,f=-6!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 4:sc= -3.17! USER MOD Single : A 31 THR OG1 : rot 150:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 63:sc= -0.511 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0157 USER MOD Single : A 49 HIS : no HD1:sc= -0.0572 X(o=-0.057,f=0) USER MOD Single : A 51 SER OG : rot -137:sc= -0.586 USER MOD Single : A 53 HIS : no HD1:sc= -0.76 K(o=-0.76,f=-4.3!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0553 X(o=-0.055,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -6.4! C(o=-7!,f=-6.4!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.371 USER MOD Single : A 77 TYR OH : rot -31:sc= 0.746 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= -0.064 USER MOD Single : A 80 MET CE :methyl -151:sc= -4.11! (180deg=-4.24!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -5.89! C(o=-5.9!,f=-11!) USER MOD Single : A 87 ASN : amide:sc= 0.314 K(o=0.31,f=-4.9!) USER MOD Single : A 88 SER OG : rot -140:sc= -1.11 USER MOD Single : A 89 ASN : amide:sc= -0.503 K(o=-0.5,f=-2.4!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.9) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 52:sc= 0.113 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.430 13.050 -4.901 1.00 0.00 N ATOM 2 CA GLY A 1 30.056 12.605 -5.039 1.00 0.00 C ATOM 3 C GLY A 1 29.880 11.613 -6.171 1.00 0.00 C ATOM 4 O GLY A 1 30.693 11.562 -7.094 1.00 0.00 O ATOM 0 H1 GLY A 1 31.825 12.685 -4.011 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.992 12.695 -5.701 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.459 14.090 -4.892 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.730 12.148 -4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.413 13.468 -5.213 1.00 0.00 H new ATOM 8 N SER A 2 28.815 10.820 -6.101 1.00 0.00 N ATOM 9 CA SER A 2 28.537 9.820 -7.125 1.00 0.00 C ATOM 10 C SER A 2 27.158 10.039 -7.738 1.00 0.00 C ATOM 11 O SER A 2 26.176 9.426 -7.320 1.00 0.00 O ATOM 12 CB SER A 2 28.627 8.413 -6.532 1.00 0.00 C ATOM 13 OG SER A 2 29.969 7.962 -6.489 1.00 0.00 O ATOM 0 H SER A 2 28.131 10.851 -5.345 1.00 0.00 H new ATOM 0 HA SER A 2 29.285 9.923 -7.911 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.207 8.412 -5.526 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.028 7.725 -7.128 1.00 0.00 H new ATOM 0 HG SER A 2 29.999 7.061 -6.104 1.00 0.00 H new ATOM 19 N SER A 3 27.092 10.918 -8.733 1.00 0.00 N ATOM 20 CA SER A 3 25.833 11.223 -9.402 1.00 0.00 C ATOM 21 C SER A 3 25.575 10.245 -10.545 1.00 0.00 C ATOM 22 O SER A 3 26.410 10.076 -11.433 1.00 0.00 O ATOM 23 CB SER A 3 25.848 12.656 -9.936 1.00 0.00 C ATOM 24 OG SER A 3 24.536 13.189 -10.003 1.00 0.00 O ATOM 0 H SER A 3 27.896 11.432 -9.094 1.00 0.00 H new ATOM 0 HA SER A 3 25.029 11.124 -8.673 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.465 13.281 -9.291 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.302 12.674 -10.927 1.00 0.00 H new ATOM 0 HG SER A 3 24.573 14.106 -10.346 1.00 0.00 H new ATOM 30 N GLY A 4 24.411 9.603 -10.516 1.00 0.00 N ATOM 31 CA GLY A 4 24.063 8.650 -11.553 1.00 0.00 C ATOM 32 C GLY A 4 22.907 7.754 -11.154 1.00 0.00 C ATOM 33 O GLY A 4 21.849 8.237 -10.750 1.00 0.00 O ATOM 0 H GLY A 4 23.703 9.726 -9.792 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.803 9.188 -12.464 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.933 8.035 -11.783 1.00 0.00 H new ATOM 37 N SER A 5 23.109 6.445 -11.267 1.00 0.00 N ATOM 38 CA SER A 5 22.073 5.479 -10.920 1.00 0.00 C ATOM 39 C SER A 5 21.861 5.431 -9.410 1.00 0.00 C ATOM 40 O SER A 5 22.474 4.624 -8.711 1.00 0.00 O ATOM 41 CB SER A 5 22.447 4.090 -11.439 1.00 0.00 C ATOM 42 OG SER A 5 23.730 3.701 -10.977 1.00 0.00 O ATOM 0 H SER A 5 23.980 6.029 -11.596 1.00 0.00 H new ATOM 0 HA SER A 5 21.142 5.795 -11.391 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.703 3.364 -11.111 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.434 4.090 -12.529 1.00 0.00 H new ATOM 0 HG SER A 5 23.796 3.870 -10.014 1.00 0.00 H new ATOM 48 N SER A 6 20.986 6.300 -8.913 1.00 0.00 N ATOM 49 CA SER A 6 20.694 6.360 -7.486 1.00 0.00 C ATOM 50 C SER A 6 19.245 5.969 -7.211 1.00 0.00 C ATOM 51 O SER A 6 18.446 5.815 -8.134 1.00 0.00 O ATOM 52 CB SER A 6 20.966 7.765 -6.946 1.00 0.00 C ATOM 53 OG SER A 6 22.354 8.051 -6.944 1.00 0.00 O ATOM 0 H SER A 6 20.467 6.972 -9.478 1.00 0.00 H new ATOM 0 HA SER A 6 21.347 5.651 -6.977 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.441 8.500 -7.556 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.572 7.851 -5.933 1.00 0.00 H new ATOM 0 HG SER A 6 22.501 8.955 -6.596 1.00 0.00 H new ATOM 59 N GLY A 7 18.914 5.810 -5.933 1.00 0.00 N ATOM 60 CA GLY A 7 17.562 5.439 -5.558 1.00 0.00 C ATOM 61 C GLY A 7 17.453 3.983 -5.150 1.00 0.00 C ATOM 62 O GLY A 7 18.260 3.143 -5.546 1.00 0.00 O ATOM 0 H GLY A 7 19.558 5.931 -5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.231 6.070 -4.733 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.891 5.630 -6.395 1.00 0.00 H new ATOM 66 N PRO A 8 16.434 3.667 -4.336 1.00 0.00 N ATOM 67 CA PRO A 8 16.199 2.303 -3.854 1.00 0.00 C ATOM 68 C PRO A 8 15.729 1.369 -4.965 1.00 0.00 C ATOM 69 O PRO A 8 15.610 1.775 -6.121 1.00 0.00 O ATOM 70 CB PRO A 8 15.099 2.482 -2.805 1.00 0.00 C ATOM 71 CG PRO A 8 14.390 3.728 -3.208 1.00 0.00 C ATOM 72 CD PRO A 8 15.434 4.618 -3.823 1.00 0.00 C ATOM 0 HA PRO A 8 17.108 1.846 -3.464 1.00 0.00 H new ATOM 0 HB2 PRO A 8 14.422 1.628 -2.792 1.00 0.00 H new ATOM 0 HB3 PRO A 8 15.518 2.572 -1.803 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.594 3.511 -3.920 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.926 4.209 -2.347 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.018 5.233 -4.621 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.866 5.298 -3.088 1.00 0.00 H new ATOM 80 N PHE A 9 15.463 0.118 -4.606 1.00 0.00 N ATOM 81 CA PHE A 9 15.007 -0.874 -5.573 1.00 0.00 C ATOM 82 C PHE A 9 13.492 -0.810 -5.744 1.00 0.00 C ATOM 83 O PHE A 9 12.822 -1.839 -5.830 1.00 0.00 O ATOM 84 CB PHE A 9 15.422 -2.278 -5.130 1.00 0.00 C ATOM 85 CG PHE A 9 16.895 -2.539 -5.268 1.00 0.00 C ATOM 86 CD1 PHE A 9 17.778 -2.144 -4.275 1.00 0.00 C ATOM 87 CD2 PHE A 9 17.397 -3.179 -6.389 1.00 0.00 C ATOM 88 CE1 PHE A 9 19.133 -2.382 -4.400 1.00 0.00 C ATOM 89 CE2 PHE A 9 18.752 -3.420 -6.519 1.00 0.00 C ATOM 90 CZ PHE A 9 19.621 -3.022 -5.523 1.00 0.00 C ATOM 0 H PHE A 9 15.555 -0.233 -3.653 1.00 0.00 H new ATOM 0 HA PHE A 9 15.474 -0.651 -6.532 1.00 0.00 H new ATOM 0 HB2 PHE A 9 15.131 -2.423 -4.090 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.874 -3.013 -5.719 1.00 0.00 H new ATOM 0 HD1 PHE A 9 17.402 -1.645 -3.394 1.00 0.00 H new ATOM 0 HD2 PHE A 9 16.722 -3.494 -7.171 1.00 0.00 H new ATOM 0 HE1 PHE A 9 19.811 -2.068 -3.620 1.00 0.00 H new ATOM 0 HE2 PHE A 9 19.130 -3.919 -7.399 1.00 0.00 H new ATOM 0 HZ PHE A 9 20.680 -3.210 -5.621 1.00 0.00 H new ATOM 100 N ILE A 10 12.959 0.407 -5.790 1.00 0.00 N ATOM 101 CA ILE A 10 11.524 0.605 -5.951 1.00 0.00 C ATOM 102 C ILE A 10 11.217 1.403 -7.214 1.00 0.00 C ATOM 103 O ILE A 10 11.106 2.628 -7.175 1.00 0.00 O ATOM 104 CB ILE A 10 10.917 1.334 -4.737 1.00 0.00 C ATOM 105 CG1 ILE A 10 11.133 0.515 -3.463 1.00 0.00 C ATOM 106 CG2 ILE A 10 9.435 1.594 -4.962 1.00 0.00 C ATOM 107 CD1 ILE A 10 10.843 1.285 -2.193 1.00 0.00 C ATOM 0 H ILE A 10 13.499 1.269 -5.718 1.00 0.00 H new ATOM 0 HA ILE A 10 11.076 -0.385 -6.032 1.00 0.00 H new ATOM 0 HB ILE A 10 11.420 2.294 -4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.495 -0.368 -3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.164 0.163 -3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.020 2.110 -4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.305 2.213 -5.849 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.916 0.646 -5.102 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.017 0.642 -1.330 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.499 2.154 -2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.804 1.614 -2.196 1.00 0.00 H new ATOM 119 N MET A 11 11.080 0.700 -8.333 1.00 0.00 N ATOM 120 CA MET A 11 10.783 1.342 -9.608 1.00 0.00 C ATOM 121 C MET A 11 9.835 2.521 -9.414 1.00 0.00 C ATOM 122 O MET A 11 10.043 3.596 -9.978 1.00 0.00 O ATOM 123 CB MET A 11 10.170 0.334 -10.581 1.00 0.00 C ATOM 124 CG MET A 11 11.082 -0.841 -10.895 1.00 0.00 C ATOM 125 SD MET A 11 12.189 -0.509 -12.279 1.00 0.00 S ATOM 126 CE MET A 11 13.222 -1.972 -12.244 1.00 0.00 C ATOM 0 H MET A 11 11.170 -0.315 -8.383 1.00 0.00 H new ATOM 0 HA MET A 11 11.718 1.715 -10.025 1.00 0.00 H new ATOM 0 HB2 MET A 11 9.237 -0.043 -10.161 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.918 0.846 -11.510 1.00 0.00 H new ATOM 0 HG2 MET A 11 11.673 -1.084 -10.012 1.00 0.00 H new ATOM 0 HG3 MET A 11 10.475 -1.717 -11.122 1.00 0.00 H new ATOM 0 HE1 MET A 11 13.960 -1.915 -13.044 1.00 0.00 H new ATOM 0 HE2 MET A 11 13.732 -2.034 -11.283 1.00 0.00 H new ATOM 0 HE3 MET A 11 12.603 -2.858 -12.384 1.00 0.00 H new ATOM 136 N ASP A 12 8.795 2.313 -8.614 1.00 0.00 N ATOM 137 CA ASP A 12 7.816 3.360 -8.346 1.00 0.00 C ATOM 138 C ASP A 12 7.358 3.315 -6.892 1.00 0.00 C ATOM 139 O ASP A 12 6.855 2.296 -6.420 1.00 0.00 O ATOM 140 CB ASP A 12 6.612 3.212 -9.278 1.00 0.00 C ATOM 141 CG ASP A 12 5.493 4.176 -8.935 1.00 0.00 C ATOM 142 OD1 ASP A 12 5.773 5.204 -8.284 1.00 0.00 O ATOM 143 OD2 ASP A 12 4.336 3.903 -9.319 1.00 0.00 O ATOM 0 H ASP A 12 8.608 1.429 -8.140 1.00 0.00 H new ATOM 0 HA ASP A 12 8.291 4.324 -8.529 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.930 3.380 -10.307 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.237 2.190 -9.223 1.00 0.00 H new ATOM 148 N ALA A 13 7.536 4.428 -6.187 1.00 0.00 N ATOM 149 CA ALA A 13 7.140 4.516 -4.786 1.00 0.00 C ATOM 150 C ALA A 13 5.745 5.117 -4.647 1.00 0.00 C ATOM 151 O ALA A 13 5.320 5.952 -5.446 1.00 0.00 O ATOM 152 CB ALA A 13 8.152 5.338 -4.003 1.00 0.00 C ATOM 0 H ALA A 13 7.951 5.281 -6.563 1.00 0.00 H new ATOM 0 HA ALA A 13 7.114 3.506 -4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.844 5.396 -2.959 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.132 4.865 -4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.206 6.343 -4.421 1.00 0.00 H new ATOM 158 N PRO A 14 5.015 4.684 -3.609 1.00 0.00 N ATOM 159 CA PRO A 14 3.657 5.167 -3.340 1.00 0.00 C ATOM 160 C PRO A 14 3.639 6.618 -2.874 1.00 0.00 C ATOM 161 O PRO A 14 4.635 7.127 -2.359 1.00 0.00 O ATOM 162 CB PRO A 14 3.165 4.241 -2.225 1.00 0.00 C ATOM 163 CG PRO A 14 4.406 3.774 -1.546 1.00 0.00 C ATOM 164 CD PRO A 14 5.458 3.691 -2.616 1.00 0.00 C ATOM 0 HA PRO A 14 3.034 5.148 -4.234 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.509 4.769 -1.532 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.595 3.404 -2.628 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.704 4.466 -0.759 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.251 2.803 -1.075 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.448 3.928 -2.225 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.516 2.691 -3.046 1.00 0.00 H new ATOM 172 N ARG A 15 2.501 7.280 -3.057 1.00 0.00 N ATOM 173 CA ARG A 15 2.355 8.674 -2.655 1.00 0.00 C ATOM 174 C ARG A 15 1.030 8.894 -1.930 1.00 0.00 C ATOM 175 O ARG A 15 0.053 8.186 -2.173 1.00 0.00 O ATOM 176 CB ARG A 15 2.438 9.591 -3.877 1.00 0.00 C ATOM 177 CG ARG A 15 2.086 11.038 -3.577 1.00 0.00 C ATOM 178 CD ARG A 15 2.082 11.884 -4.841 1.00 0.00 C ATOM 179 NE ARG A 15 3.403 12.434 -5.135 1.00 0.00 N ATOM 180 CZ ARG A 15 3.693 13.091 -6.253 1.00 0.00 C ATOM 181 NH1 ARG A 15 2.760 13.278 -7.177 1.00 0.00 N ATOM 182 NH2 ARG A 15 4.918 13.562 -6.449 1.00 0.00 N ATOM 0 H ARG A 15 1.667 6.874 -3.481 1.00 0.00 H new ATOM 0 HA ARG A 15 3.169 8.916 -1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.448 9.549 -4.285 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.767 9.215 -4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.105 11.084 -3.104 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.803 11.448 -2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.746 11.278 -5.682 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.367 12.699 -4.730 1.00 0.00 H new ATOM 0 HE ARG A 15 4.143 12.307 -4.445 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.817 12.917 -7.030 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.985 13.783 -8.034 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.638 13.420 -5.741 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.139 14.066 -7.308 1.00 0.00 H new ATOM 196 N ASP A 16 1.007 9.879 -1.039 1.00 0.00 N ATOM 197 CA ASP A 16 -0.197 10.193 -0.278 1.00 0.00 C ATOM 198 C ASP A 16 -1.434 10.137 -1.170 1.00 0.00 C ATOM 199 O ASP A 16 -1.425 10.641 -2.294 1.00 0.00 O ATOM 200 CB ASP A 16 -0.077 11.578 0.360 1.00 0.00 C ATOM 201 CG ASP A 16 -0.418 12.694 -0.609 1.00 0.00 C ATOM 202 OD1 ASP A 16 0.467 13.086 -1.398 1.00 0.00 O ATOM 203 OD2 ASP A 16 -1.570 13.175 -0.578 1.00 0.00 O ATOM 0 H ASP A 16 1.808 10.474 -0.826 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.304 9.447 0.509 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.740 11.636 1.224 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.939 11.718 0.728 1.00 0.00 H new ATOM 208 N LEU A 17 -2.495 9.520 -0.663 1.00 0.00 N ATOM 209 CA LEU A 17 -3.740 9.396 -1.413 1.00 0.00 C ATOM 210 C LEU A 17 -4.930 9.846 -0.572 1.00 0.00 C ATOM 211 O LEU A 17 -5.031 9.511 0.608 1.00 0.00 O ATOM 212 CB LEU A 17 -3.941 7.950 -1.871 1.00 0.00 C ATOM 213 CG LEU A 17 -5.343 7.592 -2.365 1.00 0.00 C ATOM 214 CD1 LEU A 17 -5.595 8.197 -3.738 1.00 0.00 C ATOM 215 CD2 LEU A 17 -5.524 6.081 -2.405 1.00 0.00 C ATOM 0 H LEU A 17 -2.518 9.097 0.265 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.674 10.042 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.231 7.741 -2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.690 7.289 -1.042 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.071 8.007 -1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.597 7.932 -4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.507 9.282 -3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.861 7.811 -4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.527 5.844 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.788 5.644 -3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.386 5.671 -1.404 1.00 0.00 H new ATOM 227 N ASN A 18 -5.831 10.604 -1.188 1.00 0.00 N ATOM 228 CA ASN A 18 -7.016 11.098 -0.496 1.00 0.00 C ATOM 229 C ASN A 18 -8.285 10.506 -1.101 1.00 0.00 C ATOM 230 O ASN A 18 -8.652 10.823 -2.234 1.00 0.00 O ATOM 231 CB ASN A 18 -7.071 12.626 -0.562 1.00 0.00 C ATOM 232 CG ASN A 18 -7.334 13.135 -1.966 1.00 0.00 C ATOM 233 OD1 ASN A 18 -6.971 12.492 -2.950 1.00 0.00 O ATOM 234 ND2 ASN A 18 -7.970 14.297 -2.063 1.00 0.00 N ATOM 0 H ASN A 18 -5.763 10.890 -2.165 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.953 10.788 0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.853 12.988 0.105 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.128 13.037 -0.200 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.176 14.691 -2.981 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.252 14.796 -1.219 1.00 0.00 H new ATOM 241 N ILE A 19 -8.952 9.646 -0.339 1.00 0.00 N ATOM 242 CA ILE A 19 -10.181 9.012 -0.799 1.00 0.00 C ATOM 243 C ILE A 19 -11.262 9.064 0.275 1.00 0.00 C ATOM 244 O ILE A 19 -10.965 9.108 1.468 1.00 0.00 O ATOM 245 CB ILE A 19 -9.941 7.544 -1.199 1.00 0.00 C ATOM 246 CG1 ILE A 19 -11.230 6.924 -1.743 1.00 0.00 C ATOM 247 CG2 ILE A 19 -9.425 6.749 -0.009 1.00 0.00 C ATOM 248 CD1 ILE A 19 -10.992 5.840 -2.771 1.00 0.00 C ATOM 0 H ILE A 19 -8.662 9.372 0.600 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.515 9.569 -1.674 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.186 7.515 -1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.802 6.508 -0.914 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.841 7.709 -2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.260 5.714 -0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.486 7.181 0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.159 6.782 0.796 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.949 5.446 -3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.447 6.256 -3.619 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.408 5.036 -2.323 1.00 0.00 H new ATOM 260 N SER A 20 -12.519 9.058 -0.158 1.00 0.00 N ATOM 261 CA SER A 20 -13.646 9.107 0.766 1.00 0.00 C ATOM 262 C SER A 20 -13.845 7.758 1.452 1.00 0.00 C ATOM 263 O SER A 20 -13.321 6.740 1.004 1.00 0.00 O ATOM 264 CB SER A 20 -14.923 9.509 0.026 1.00 0.00 C ATOM 265 OG SER A 20 -14.887 10.875 -0.349 1.00 0.00 O ATOM 0 H SER A 20 -12.782 9.020 -1.143 1.00 0.00 H new ATOM 0 HA SER A 20 -13.426 9.854 1.529 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.043 8.888 -0.862 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.789 9.326 0.663 1.00 0.00 H new ATOM 0 HG SER A 20 -15.714 11.106 -0.822 1.00 0.00 H new ATOM 271 N GLU A 21 -14.607 7.762 2.541 1.00 0.00 N ATOM 272 CA GLU A 21 -14.875 6.540 3.290 1.00 0.00 C ATOM 273 C GLU A 21 -15.864 5.650 2.542 1.00 0.00 C ATOM 274 O GLU A 21 -16.896 6.117 2.063 1.00 0.00 O ATOM 275 CB GLU A 21 -15.423 6.875 4.678 1.00 0.00 C ATOM 276 CG GLU A 21 -15.887 5.658 5.460 1.00 0.00 C ATOM 277 CD GLU A 21 -16.968 5.990 6.470 1.00 0.00 C ATOM 278 OE1 GLU A 21 -16.694 6.782 7.395 1.00 0.00 O ATOM 279 OE2 GLU A 21 -18.090 5.457 6.334 1.00 0.00 O ATOM 0 H GLU A 21 -15.049 8.597 2.924 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.935 5.998 3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.651 7.391 5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.258 7.568 4.572 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.262 4.906 4.766 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.035 5.217 5.977 1.00 0.00 H new ATOM 286 N GLY A 22 -15.540 4.364 2.447 1.00 0.00 N ATOM 287 CA GLY A 22 -16.408 3.429 1.756 1.00 0.00 C ATOM 288 C GLY A 22 -16.199 3.444 0.255 1.00 0.00 C ATOM 289 O GLY A 22 -17.156 3.344 -0.513 1.00 0.00 O ATOM 0 H GLY A 22 -14.692 3.953 2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.228 2.423 2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.447 3.671 1.977 1.00 0.00 H new ATOM 293 N ARG A 23 -14.945 3.571 -0.165 1.00 0.00 N ATOM 294 CA ARG A 23 -14.613 3.602 -1.585 1.00 0.00 C ATOM 295 C ARG A 23 -13.385 2.744 -1.875 1.00 0.00 C ATOM 296 O ARG A 23 -12.684 2.317 -0.959 1.00 0.00 O ATOM 297 CB ARG A 23 -14.364 5.040 -2.041 1.00 0.00 C ATOM 298 CG ARG A 23 -15.548 5.966 -1.815 1.00 0.00 C ATOM 299 CD ARG A 23 -15.558 7.112 -2.814 1.00 0.00 C ATOM 300 NE ARG A 23 -16.607 8.085 -2.520 1.00 0.00 N ATOM 301 CZ ARG A 23 -16.981 9.040 -3.364 1.00 0.00 C ATOM 302 NH1 ARG A 23 -16.394 9.150 -4.548 1.00 0.00 N ATOM 303 NH2 ARG A 23 -17.944 9.887 -3.025 1.00 0.00 N ATOM 0 H ARG A 23 -14.141 3.654 0.458 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.458 3.194 -2.139 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.498 5.435 -1.510 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.113 5.037 -3.102 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.475 5.400 -1.900 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.510 6.366 -0.802 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.588 7.610 -2.804 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.703 6.716 -3.819 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.078 8.028 -1.617 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.653 8.500 -4.812 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.683 9.884 -5.194 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.398 9.805 -2.115 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.230 10.620 -3.674 1.00 0.00 H new ATOM 317 N MET A 24 -13.133 2.496 -3.156 1.00 0.00 N ATOM 318 CA MET A 24 -11.989 1.690 -3.567 1.00 0.00 C ATOM 319 C MET A 24 -10.735 2.550 -3.691 1.00 0.00 C ATOM 320 O MET A 24 -10.772 3.640 -4.260 1.00 0.00 O ATOM 321 CB MET A 24 -12.279 0.996 -4.899 1.00 0.00 C ATOM 322 CG MET A 24 -11.530 -0.315 -5.077 1.00 0.00 C ATOM 323 SD MET A 24 -11.812 -1.062 -6.694 1.00 0.00 S ATOM 324 CE MET A 24 -11.771 -2.802 -6.275 1.00 0.00 C ATOM 0 H MET A 24 -13.705 2.841 -3.927 1.00 0.00 H new ATOM 0 HA MET A 24 -11.815 0.933 -2.802 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.350 0.806 -4.975 1.00 0.00 H new ATOM 0 HB3 MET A 24 -12.016 1.669 -5.715 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.462 -0.140 -4.943 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.839 -1.014 -4.299 1.00 0.00 H new ATOM 0 HE1 MET A 24 -11.574 -3.388 -7.173 1.00 0.00 H new ATOM 0 HE2 MET A 24 -10.983 -2.982 -5.544 1.00 0.00 H new ATOM 0 HE3 MET A 24 -12.731 -3.097 -5.853 1.00 0.00 H new ATOM 334 N ALA A 25 -9.626 2.051 -3.154 1.00 0.00 N ATOM 335 CA ALA A 25 -8.360 2.773 -3.206 1.00 0.00 C ATOM 336 C ALA A 25 -7.227 1.861 -3.665 1.00 0.00 C ATOM 337 O ALA A 25 -7.374 0.640 -3.692 1.00 0.00 O ATOM 338 CB ALA A 25 -8.039 3.374 -1.846 1.00 0.00 C ATOM 0 H ALA A 25 -9.579 1.150 -2.678 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.459 3.579 -3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.091 3.910 -1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.831 4.065 -1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.964 2.578 -1.105 1.00 0.00 H new ATOM 344 N GLU A 26 -6.098 2.464 -4.025 1.00 0.00 N ATOM 345 CA GLU A 26 -4.941 1.705 -4.484 1.00 0.00 C ATOM 346 C GLU A 26 -3.650 2.484 -4.248 1.00 0.00 C ATOM 347 O GLU A 26 -3.624 3.711 -4.355 1.00 0.00 O ATOM 348 CB GLU A 26 -5.081 1.367 -5.970 1.00 0.00 C ATOM 349 CG GLU A 26 -6.124 0.300 -6.255 1.00 0.00 C ATOM 350 CD GLU A 26 -6.027 -0.249 -7.665 1.00 0.00 C ATOM 351 OE1 GLU A 26 -5.526 0.475 -8.551 1.00 0.00 O ATOM 352 OE2 GLU A 26 -6.451 -1.403 -7.883 1.00 0.00 O ATOM 0 H GLU A 26 -5.960 3.475 -4.008 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.896 0.779 -3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.341 2.273 -6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.116 1.031 -6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.007 -0.516 -5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.118 0.719 -6.100 1.00 0.00 H new ATOM 359 N LEU A 27 -2.582 1.764 -3.927 1.00 0.00 N ATOM 360 CA LEU A 27 -1.287 2.387 -3.675 1.00 0.00 C ATOM 361 C LEU A 27 -0.277 1.998 -4.750 1.00 0.00 C ATOM 362 O LEU A 27 0.152 0.846 -4.826 1.00 0.00 O ATOM 363 CB LEU A 27 -0.763 1.981 -2.296 1.00 0.00 C ATOM 364 CG LEU A 27 -1.295 2.788 -1.112 1.00 0.00 C ATOM 365 CD1 LEU A 27 -1.088 2.028 0.189 1.00 0.00 C ATOM 366 CD2 LEU A 27 -0.620 4.151 -1.048 1.00 0.00 C ATOM 0 H LEU A 27 -2.586 0.748 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.421 3.468 -3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.005 0.931 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.324 2.060 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.365 2.941 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.473 2.618 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.618 1.077 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.024 1.843 0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.011 4.711 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.456 4.019 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.820 4.700 -1.968 1.00 0.00 H new ATOM 378 N LYS A 28 0.101 2.966 -5.578 1.00 0.00 N ATOM 379 CA LYS A 28 1.063 2.727 -6.647 1.00 0.00 C ATOM 380 C LYS A 28 2.388 2.223 -6.084 1.00 0.00 C ATOM 381 O LYS A 28 3.038 2.908 -5.293 1.00 0.00 O ATOM 382 CB LYS A 28 1.293 4.009 -7.450 1.00 0.00 C ATOM 383 CG LYS A 28 0.122 4.387 -8.340 1.00 0.00 C ATOM 384 CD LYS A 28 0.160 3.637 -9.661 1.00 0.00 C ATOM 385 CE LYS A 28 -1.235 3.462 -10.243 1.00 0.00 C ATOM 386 NZ LYS A 28 -1.210 3.393 -11.730 1.00 0.00 N ATOM 0 H LYS A 28 -0.245 3.924 -5.529 1.00 0.00 H new ATOM 0 HA LYS A 28 0.653 1.961 -7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.494 4.829 -6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.183 3.886 -8.067 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.813 4.170 -7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.140 5.460 -8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.786 4.179 -10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.619 2.659 -9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.683 2.552 -9.845 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.867 4.293 -9.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.179 3.274 -12.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.806 4.272 -12.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.628 2.585 -12.030 1.00 0.00 H new ATOM 400 N CYS A 29 2.783 1.024 -6.497 1.00 0.00 N ATOM 401 CA CYS A 29 4.031 0.428 -6.034 1.00 0.00 C ATOM 402 C CYS A 29 4.567 -0.573 -7.052 1.00 0.00 C ATOM 403 O CYS A 29 3.846 -1.465 -7.498 1.00 0.00 O ATOM 404 CB CYS A 29 3.823 -0.260 -4.684 1.00 0.00 C ATOM 405 SG CYS A 29 3.260 -1.974 -4.809 1.00 0.00 S ATOM 0 H CYS A 29 2.257 0.445 -7.152 1.00 0.00 H new ATOM 0 HA CYS A 29 4.764 1.226 -5.917 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.760 -0.236 -4.128 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.095 0.309 -4.106 1.00 0.00 H new ATOM 0 HG CYS A 29 3.217 -2.327 -6.060 1.00 0.00 H new ATOM 411 N ARG A 30 5.836 -0.418 -7.416 1.00 0.00 N ATOM 412 CA ARG A 30 6.467 -1.306 -8.384 1.00 0.00 C ATOM 413 C ARG A 30 7.742 -1.918 -7.810 1.00 0.00 C ATOM 414 O ARG A 30 8.639 -1.203 -7.362 1.00 0.00 O ATOM 415 CB ARG A 30 6.788 -0.547 -9.673 1.00 0.00 C ATOM 416 CG ARG A 30 5.584 -0.347 -10.579 1.00 0.00 C ATOM 417 CD ARG A 30 5.883 0.644 -11.692 1.00 0.00 C ATOM 418 NE ARG A 30 4.717 0.884 -12.539 1.00 0.00 N ATOM 419 CZ ARG A 30 4.259 0.006 -13.425 1.00 0.00 C ATOM 420 NH1 ARG A 30 4.865 -1.163 -13.578 1.00 0.00 N ATOM 421 NH2 ARG A 30 3.193 0.297 -14.158 1.00 0.00 N ATOM 0 H ARG A 30 6.447 0.315 -7.055 1.00 0.00 H new ATOM 0 HA ARG A 30 5.768 -2.111 -8.610 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.205 0.427 -9.417 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.558 -1.089 -10.221 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.290 -1.303 -11.011 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.739 0.010 -9.990 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.216 1.587 -11.258 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.703 0.267 -12.303 1.00 0.00 H new ATOM 0 HE ARG A 30 4.228 1.774 -12.445 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.685 -1.390 -13.015 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.512 -1.835 -14.259 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.724 1.195 -14.042 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.842 -0.377 -14.838 1.00 0.00 H new ATOM 435 N THR A 31 7.815 -3.245 -7.827 1.00 0.00 N ATOM 436 CA THR A 31 8.978 -3.953 -7.307 1.00 0.00 C ATOM 437 C THR A 31 9.578 -4.874 -8.363 1.00 0.00 C ATOM 438 O THR A 31 8.893 -5.351 -9.268 1.00 0.00 O ATOM 439 CB THR A 31 8.619 -4.784 -6.061 1.00 0.00 C ATOM 440 OG1 THR A 31 7.520 -5.655 -6.353 1.00 0.00 O ATOM 441 CG2 THR A 31 8.260 -3.880 -4.892 1.00 0.00 C ATOM 0 H THR A 31 7.082 -3.851 -8.195 1.00 0.00 H new ATOM 0 HA THR A 31 9.712 -3.196 -7.030 1.00 0.00 H new ATOM 0 HB THR A 31 9.490 -5.379 -5.785 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.591 -6.465 -5.807 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.010 -4.490 -4.024 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.109 -3.239 -4.653 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.403 -3.262 -5.160 1.00 0.00 H new ATOM 449 N PRO A 32 10.889 -5.133 -8.248 1.00 0.00 N ATOM 450 CA PRO A 32 11.610 -6.001 -9.184 1.00 0.00 C ATOM 451 C PRO A 32 11.209 -7.465 -9.043 1.00 0.00 C ATOM 452 O PRO A 32 10.509 -7.855 -8.108 1.00 0.00 O ATOM 453 CB PRO A 32 13.077 -5.808 -8.788 1.00 0.00 C ATOM 454 CG PRO A 32 13.032 -5.398 -7.357 1.00 0.00 C ATOM 455 CD PRO A 32 11.768 -4.599 -7.194 1.00 0.00 C ATOM 0 HA PRO A 32 11.397 -5.747 -10.222 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.647 -6.728 -8.918 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.556 -5.046 -9.403 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.030 -6.269 -6.702 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.906 -4.803 -7.094 1.00 0.00 H new ATOM 0 HD2 PRO A 32 11.334 -4.732 -6.203 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.948 -3.532 -7.323 1.00 0.00 H new ATOM 463 N PRO A 33 11.661 -8.297 -9.993 1.00 0.00 N ATOM 464 CA PRO A 33 11.362 -9.732 -9.996 1.00 0.00 C ATOM 465 C PRO A 33 12.072 -10.475 -8.870 1.00 0.00 C ATOM 466 O PRO A 33 13.025 -9.965 -8.281 1.00 0.00 O ATOM 467 CB PRO A 33 11.884 -10.200 -11.357 1.00 0.00 C ATOM 468 CG PRO A 33 12.943 -9.216 -11.716 1.00 0.00 C ATOM 469 CD PRO A 33 12.500 -7.901 -11.137 1.00 0.00 C ATOM 0 HA PRO A 33 10.301 -9.927 -9.840 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.286 -11.211 -11.300 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.089 -10.215 -12.102 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.909 -9.516 -11.309 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.061 -9.146 -12.797 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.349 -7.294 -10.822 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.939 -7.311 -11.862 1.00 0.00 H new ATOM 477 N MET A 34 11.602 -11.683 -8.575 1.00 0.00 N ATOM 478 CA MET A 34 12.194 -12.496 -7.520 1.00 0.00 C ATOM 479 C MET A 34 12.254 -11.723 -6.206 1.00 0.00 C ATOM 480 O MET A 34 13.223 -11.831 -5.454 1.00 0.00 O ATOM 481 CB MET A 34 13.599 -12.949 -7.922 1.00 0.00 C ATOM 482 CG MET A 34 13.638 -13.716 -9.234 1.00 0.00 C ATOM 483 SD MET A 34 14.974 -14.925 -9.293 1.00 0.00 S ATOM 484 CE MET A 34 16.397 -13.850 -9.453 1.00 0.00 C ATOM 0 H MET A 34 10.813 -12.120 -9.052 1.00 0.00 H new ATOM 0 HA MET A 34 11.564 -13.374 -7.377 1.00 0.00 H new ATOM 0 HB2 MET A 34 14.245 -12.075 -8.002 1.00 0.00 H new ATOM 0 HB3 MET A 34 14.010 -13.577 -7.131 1.00 0.00 H new ATOM 0 HG2 MET A 34 12.686 -14.225 -9.381 1.00 0.00 H new ATOM 0 HG3 MET A 34 13.754 -13.012 -10.058 1.00 0.00 H new ATOM 0 HE1 MET A 34 17.304 -14.452 -9.502 1.00 0.00 H new ATOM 0 HE2 MET A 34 16.305 -13.258 -10.363 1.00 0.00 H new ATOM 0 HE3 MET A 34 16.449 -13.185 -8.591 1.00 0.00 H new ATOM 494 N SER A 35 11.212 -10.943 -5.936 1.00 0.00 N ATOM 495 CA SER A 35 11.148 -10.148 -4.715 1.00 0.00 C ATOM 496 C SER A 35 9.794 -10.310 -4.032 1.00 0.00 C ATOM 497 O SER A 35 8.812 -10.703 -4.661 1.00 0.00 O ATOM 498 CB SER A 35 11.401 -8.672 -5.028 1.00 0.00 C ATOM 499 OG SER A 35 12.669 -8.489 -5.633 1.00 0.00 O ATOM 0 H SER A 35 10.401 -10.845 -6.546 1.00 0.00 H new ATOM 0 HA SER A 35 11.923 -10.506 -4.037 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.621 -8.299 -5.691 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.345 -8.088 -4.110 1.00 0.00 H new ATOM 0 HG SER A 35 12.695 -8.966 -6.489 1.00 0.00 H new ATOM 505 N SER A 36 9.750 -10.004 -2.739 1.00 0.00 N ATOM 506 CA SER A 36 8.518 -10.118 -1.968 1.00 0.00 C ATOM 507 C SER A 36 7.930 -8.741 -1.675 1.00 0.00 C ATOM 508 O SER A 36 8.661 -7.774 -1.460 1.00 0.00 O ATOM 509 CB SER A 36 8.779 -10.863 -0.657 1.00 0.00 C ATOM 510 OG SER A 36 7.566 -11.154 0.015 1.00 0.00 O ATOM 0 H SER A 36 10.554 -9.675 -2.204 1.00 0.00 H new ATOM 0 HA SER A 36 7.798 -10.682 -2.562 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.316 -11.789 -0.862 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.419 -10.259 -0.013 1.00 0.00 H new ATOM 0 HG SER A 36 7.760 -11.632 0.848 1.00 0.00 H new ATOM 516 N VAL A 37 6.603 -8.661 -1.669 1.00 0.00 N ATOM 517 CA VAL A 37 5.915 -7.403 -1.402 1.00 0.00 C ATOM 518 C VAL A 37 5.102 -7.484 -0.115 1.00 0.00 C ATOM 519 O VAL A 37 4.233 -8.344 0.031 1.00 0.00 O ATOM 520 CB VAL A 37 4.979 -7.018 -2.564 1.00 0.00 C ATOM 521 CG1 VAL A 37 4.288 -5.694 -2.276 1.00 0.00 C ATOM 522 CG2 VAL A 37 5.754 -6.952 -3.872 1.00 0.00 C ATOM 0 H VAL A 37 5.983 -9.452 -1.846 1.00 0.00 H new ATOM 0 HA VAL A 37 6.684 -6.638 -1.295 1.00 0.00 H new ATOM 0 HB VAL A 37 4.212 -7.787 -2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.631 -5.438 -3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.700 -5.782 -1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.037 -4.912 -2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.078 -6.679 -4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.543 -6.204 -3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.197 -7.926 -4.082 1.00 0.00 H new ATOM 532 N LYS A 38 5.390 -6.582 0.817 1.00 0.00 N ATOM 533 CA LYS A 38 4.685 -6.548 2.093 1.00 0.00 C ATOM 534 C LYS A 38 4.293 -5.121 2.461 1.00 0.00 C ATOM 535 O LYS A 38 5.051 -4.180 2.228 1.00 0.00 O ATOM 536 CB LYS A 38 5.558 -7.149 3.197 1.00 0.00 C ATOM 537 CG LYS A 38 5.478 -8.664 3.279 1.00 0.00 C ATOM 538 CD LYS A 38 5.700 -9.158 4.699 1.00 0.00 C ATOM 539 CE LYS A 38 7.181 -9.283 5.020 1.00 0.00 C ATOM 540 NZ LYS A 38 7.420 -10.150 6.207 1.00 0.00 N ATOM 0 H LYS A 38 6.107 -5.864 0.713 1.00 0.00 H new ATOM 0 HA LYS A 38 3.776 -7.141 1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.595 -6.857 3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.259 -6.725 4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.502 -8.997 2.925 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.225 -9.105 2.618 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.231 -8.470 5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.216 -10.126 4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.706 -9.695 4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.598 -8.293 5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.441 -10.210 6.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.940 -9.744 7.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.045 -11.102 6.022 1.00 0.00 H new ATOM 554 N TRP A 39 3.106 -4.968 3.036 1.00 0.00 N ATOM 555 CA TRP A 39 2.614 -3.655 3.437 1.00 0.00 C ATOM 556 C TRP A 39 2.340 -3.610 4.936 1.00 0.00 C ATOM 557 O TRP A 39 1.754 -4.536 5.498 1.00 0.00 O ATOM 558 CB TRP A 39 1.342 -3.306 2.663 1.00 0.00 C ATOM 559 CG TRP A 39 1.606 -2.847 1.261 1.00 0.00 C ATOM 560 CD1 TRP A 39 1.768 -3.635 0.158 1.00 0.00 C ATOM 561 CD2 TRP A 39 1.742 -1.494 0.813 1.00 0.00 C ATOM 562 NE1 TRP A 39 1.996 -2.854 -0.949 1.00 0.00 N ATOM 563 CE2 TRP A 39 1.984 -1.537 -0.574 1.00 0.00 C ATOM 564 CE3 TRP A 39 1.680 -0.251 1.448 1.00 0.00 C ATOM 565 CZ2 TRP A 39 2.165 -0.384 -1.334 1.00 0.00 C ATOM 566 CZ3 TRP A 39 1.861 0.892 0.693 1.00 0.00 C ATOM 567 CH2 TRP A 39 2.100 0.820 -0.686 1.00 0.00 C ATOM 0 H TRP A 39 2.466 -5.737 3.235 1.00 0.00 H new ATOM 0 HA TRP A 39 3.385 -2.920 3.206 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.691 -4.180 2.635 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.803 -2.524 3.198 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.723 -4.714 0.156 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.149 -3.199 -1.897 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.494 -0.185 2.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.350 -0.438 -2.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.818 1.858 1.174 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.236 1.732 -1.248 1.00 0.00 H new ATOM 578 N LEU A 40 2.768 -2.530 5.580 1.00 0.00 N ATOM 579 CA LEU A 40 2.568 -2.365 7.015 1.00 0.00 C ATOM 580 C LEU A 40 1.452 -1.364 7.298 1.00 0.00 C ATOM 581 O LEU A 40 1.250 -0.413 6.542 1.00 0.00 O ATOM 582 CB LEU A 40 3.865 -1.901 7.681 1.00 0.00 C ATOM 583 CG LEU A 40 3.913 -2.007 9.205 1.00 0.00 C ATOM 584 CD1 LEU A 40 5.336 -2.258 9.679 1.00 0.00 C ATOM 585 CD2 LEU A 40 3.350 -0.747 9.845 1.00 0.00 C ATOM 0 H LEU A 40 3.256 -1.755 5.131 1.00 0.00 H new ATOM 0 HA LEU A 40 2.279 -3.331 7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.689 -2.484 7.270 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.040 -0.862 7.404 1.00 0.00 H new ATOM 0 HG LEU A 40 3.296 -2.852 9.510 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.350 -2.330 10.767 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.704 -3.189 9.249 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.976 -1.434 9.362 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.392 -0.840 10.930 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.939 0.115 9.532 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.315 -0.612 9.532 1.00 0.00 H new ATOM 597 N LEU A 41 0.732 -1.583 8.393 1.00 0.00 N ATOM 598 CA LEU A 41 -0.363 -0.699 8.778 1.00 0.00 C ATOM 599 C LEU A 41 0.043 0.192 9.948 1.00 0.00 C ATOM 600 O LEU A 41 0.891 -0.164 10.767 1.00 0.00 O ATOM 601 CB LEU A 41 -1.599 -1.519 9.152 1.00 0.00 C ATOM 602 CG LEU A 41 -2.056 -2.552 8.121 1.00 0.00 C ATOM 603 CD1 LEU A 41 -2.149 -1.922 6.739 1.00 0.00 C ATOM 604 CD2 LEU A 41 -1.109 -3.743 8.103 1.00 0.00 C ATOM 0 H LEU A 41 0.887 -2.365 9.030 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.601 -0.063 7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.397 -2.036 10.090 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.424 -0.831 9.338 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.047 -2.906 8.404 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.476 -2.672 6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.867 -1.102 6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.171 -1.540 6.447 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.450 -4.468 7.364 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.105 -3.406 7.845 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.093 -4.210 9.088 1.00 0.00 H new ATOM 616 N PRO A 42 -0.578 1.378 10.031 1.00 0.00 N ATOM 617 CA PRO A 42 -0.300 2.343 11.099 1.00 0.00 C ATOM 618 C PRO A 42 -0.810 1.871 12.456 1.00 0.00 C ATOM 619 O PRO A 42 -0.711 2.587 13.450 1.00 0.00 O ATOM 620 CB PRO A 42 -1.056 3.596 10.650 1.00 0.00 C ATOM 621 CG PRO A 42 -2.151 3.086 9.778 1.00 0.00 C ATOM 622 CD PRO A 42 -1.599 1.868 9.090 1.00 0.00 C ATOM 0 HA PRO A 42 0.770 2.500 11.237 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.453 4.146 11.503 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.403 4.279 10.107 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.034 2.835 10.366 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.455 3.840 9.052 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.373 1.121 8.912 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.166 2.115 8.121 1.00 0.00 H new ATOM 630 N ASN A 43 -1.356 0.659 12.488 1.00 0.00 N ATOM 631 CA ASN A 43 -1.883 0.091 13.723 1.00 0.00 C ATOM 632 C ASN A 43 -0.868 -0.852 14.364 1.00 0.00 C ATOM 633 O ASN A 43 -0.847 -1.024 15.582 1.00 0.00 O ATOM 634 CB ASN A 43 -3.189 -0.657 13.449 1.00 0.00 C ATOM 635 CG ASN A 43 -3.104 -1.536 12.216 1.00 0.00 C ATOM 636 OD1 ASN A 43 -3.634 -1.195 11.159 1.00 0.00 O ATOM 637 ND2 ASN A 43 -2.434 -2.676 12.347 1.00 0.00 N ATOM 0 H ASN A 43 -1.445 0.052 11.673 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.080 0.910 14.415 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.441 -1.272 14.313 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.998 0.063 13.323 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.343 -3.308 11.552 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.010 -2.919 13.243 1.00 0.00 H new ATOM 644 N GLY A 44 -0.027 -1.461 13.533 1.00 0.00 N ATOM 645 CA GLY A 44 0.978 -2.378 14.036 1.00 0.00 C ATOM 646 C GLY A 44 0.830 -3.773 13.462 1.00 0.00 C ATOM 647 O GLY A 44 0.674 -4.745 14.202 1.00 0.00 O ATOM 0 H GLY A 44 -0.024 -1.335 12.521 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.969 -1.993 13.796 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.910 -2.427 15.123 1.00 0.00 H new ATOM 651 N THR A 45 0.877 -3.874 12.137 1.00 0.00 N ATOM 652 CA THR A 45 0.744 -5.159 11.463 1.00 0.00 C ATOM 653 C THR A 45 1.216 -5.073 10.016 1.00 0.00 C ATOM 654 O THR A 45 1.423 -3.982 9.484 1.00 0.00 O ATOM 655 CB THR A 45 -0.713 -5.658 11.487 1.00 0.00 C ATOM 656 OG1 THR A 45 -1.230 -5.597 12.821 1.00 0.00 O ATOM 657 CG2 THR A 45 -0.806 -7.084 10.966 1.00 0.00 C ATOM 0 H THR A 45 1.006 -3.080 11.510 1.00 0.00 H new ATOM 0 HA THR A 45 1.372 -5.866 12.005 1.00 0.00 H new ATOM 0 HB THR A 45 -1.305 -5.012 10.839 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.488 -5.617 13.461 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.844 -7.414 10.993 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.440 -7.121 9.940 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.201 -7.740 11.591 1.00 0.00 H new ATOM 665 N VAL A 46 1.383 -6.229 9.382 1.00 0.00 N ATOM 666 CA VAL A 46 1.828 -6.284 7.995 1.00 0.00 C ATOM 667 C VAL A 46 1.149 -7.424 7.244 1.00 0.00 C ATOM 668 O VAL A 46 0.918 -8.498 7.801 1.00 0.00 O ATOM 669 CB VAL A 46 3.355 -6.461 7.903 1.00 0.00 C ATOM 670 CG1 VAL A 46 3.757 -6.915 6.507 1.00 0.00 C ATOM 671 CG2 VAL A 46 4.065 -5.169 8.277 1.00 0.00 C ATOM 0 H VAL A 46 1.217 -7.141 9.807 1.00 0.00 H new ATOM 0 HA VAL A 46 1.551 -5.335 7.536 1.00 0.00 H new ATOM 0 HB VAL A 46 3.657 -7.233 8.611 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.839 -7.035 6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.277 -7.867 6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.443 -6.169 5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.143 -5.313 8.206 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.759 -4.375 7.595 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.802 -4.892 9.298 1.00 0.00 H new ATOM 681 N LEU A 47 0.831 -7.183 5.977 1.00 0.00 N ATOM 682 CA LEU A 47 0.177 -8.190 5.148 1.00 0.00 C ATOM 683 C LEU A 47 1.104 -8.660 4.031 1.00 0.00 C ATOM 684 O LEU A 47 2.138 -8.046 3.769 1.00 0.00 O ATOM 685 CB LEU A 47 -1.115 -7.628 4.552 1.00 0.00 C ATOM 686 CG LEU A 47 -2.210 -7.259 5.553 1.00 0.00 C ATOM 687 CD1 LEU A 47 -3.404 -6.648 4.836 1.00 0.00 C ATOM 688 CD2 LEU A 47 -2.635 -8.481 6.354 1.00 0.00 C ATOM 0 H LEU A 47 1.015 -6.300 5.501 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.064 -9.045 5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.867 -6.740 3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.520 -8.362 3.855 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.809 -6.518 6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.173 -6.392 5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.090 -5.748 4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.806 -7.366 4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.415 -8.199 7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.018 -9.245 5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.777 -8.876 6.898 1.00 0.00 H new ATOM 700 N SER A 48 0.724 -9.751 3.374 1.00 0.00 N ATOM 701 CA SER A 48 1.521 -10.304 2.285 1.00 0.00 C ATOM 702 C SER A 48 0.661 -11.161 1.362 1.00 0.00 C ATOM 703 O SER A 48 -0.411 -11.628 1.750 1.00 0.00 O ATOM 704 CB SER A 48 2.676 -11.138 2.844 1.00 0.00 C ATOM 705 OG SER A 48 3.504 -11.625 1.802 1.00 0.00 O ATOM 0 H SER A 48 -0.131 -10.270 3.577 1.00 0.00 H new ATOM 0 HA SER A 48 1.927 -9.474 1.707 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.268 -10.532 3.530 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.280 -11.975 3.419 1.00 0.00 H new ATOM 0 HG SER A 48 4.235 -12.153 2.185 1.00 0.00 H new ATOM 711 N HIS A 49 1.137 -11.364 0.138 1.00 0.00 N ATOM 712 CA HIS A 49 0.412 -12.166 -0.841 1.00 0.00 C ATOM 713 C HIS A 49 -0.315 -13.323 -0.165 1.00 0.00 C ATOM 714 O HIS A 49 -1.383 -13.743 -0.610 1.00 0.00 O ATOM 715 CB HIS A 49 1.373 -12.702 -1.903 1.00 0.00 C ATOM 716 CG HIS A 49 1.785 -11.675 -2.912 1.00 0.00 C ATOM 717 ND1 HIS A 49 0.924 -11.163 -3.860 1.00 0.00 N ATOM 718 CD2 HIS A 49 2.974 -11.063 -3.117 1.00 0.00 C ATOM 719 CE1 HIS A 49 1.566 -10.282 -4.605 1.00 0.00 C ATOM 720 NE2 HIS A 49 2.813 -10.202 -4.175 1.00 0.00 N ATOM 0 H HIS A 49 2.021 -10.984 -0.200 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.329 -11.527 -1.321 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.263 -13.093 -1.411 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.901 -13.538 -2.420 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.881 -11.222 -2.553 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.144 -9.722 -5.426 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.538 -9.599 -4.565 1.00 0.00 H new ATOM 729 N ALA A 50 0.270 -13.835 0.913 1.00 0.00 N ATOM 730 CA ALA A 50 -0.323 -14.943 1.651 1.00 0.00 C ATOM 731 C ALA A 50 -1.628 -14.522 2.318 1.00 0.00 C ATOM 732 O ALA A 50 -2.655 -15.183 2.166 1.00 0.00 O ATOM 733 CB ALA A 50 0.657 -15.470 2.689 1.00 0.00 C ATOM 0 H ALA A 50 1.155 -13.500 1.295 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.548 -15.740 0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.201 -16.297 3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.562 -15.818 2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.911 -14.673 3.388 1.00 0.00 H new ATOM 739 N SER A 51 -1.580 -13.419 3.057 1.00 0.00 N ATOM 740 CA SER A 51 -2.758 -12.912 3.751 1.00 0.00 C ATOM 741 C SER A 51 -4.006 -13.062 2.886 1.00 0.00 C ATOM 742 O SER A 51 -3.916 -13.173 1.663 1.00 0.00 O ATOM 743 CB SER A 51 -2.561 -11.443 4.131 1.00 0.00 C ATOM 744 OG SER A 51 -3.801 -10.761 4.191 1.00 0.00 O ATOM 0 H SER A 51 -0.738 -12.859 3.191 1.00 0.00 H new ATOM 0 HA SER A 51 -2.894 -13.500 4.659 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.060 -11.378 5.097 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.911 -10.959 3.401 1.00 0.00 H new ATOM 0 HG SER A 51 -3.712 -9.883 3.766 1.00 0.00 H new ATOM 750 N ARG A 52 -5.168 -13.066 3.529 1.00 0.00 N ATOM 751 CA ARG A 52 -6.434 -13.204 2.819 1.00 0.00 C ATOM 752 C ARG A 52 -7.336 -12.000 3.078 1.00 0.00 C ATOM 753 O ARG A 52 -8.490 -11.973 2.649 1.00 0.00 O ATOM 754 CB ARG A 52 -7.145 -14.489 3.246 1.00 0.00 C ATOM 755 CG ARG A 52 -8.158 -14.991 2.230 1.00 0.00 C ATOM 756 CD ARG A 52 -8.297 -16.505 2.283 1.00 0.00 C ATOM 757 NE ARG A 52 -8.651 -17.068 0.984 1.00 0.00 N ATOM 758 CZ ARG A 52 -9.131 -18.296 0.821 1.00 0.00 C ATOM 759 NH1 ARG A 52 -9.314 -19.084 1.871 1.00 0.00 N ATOM 760 NH2 ARG A 52 -9.431 -18.737 -0.394 1.00 0.00 N ATOM 0 H ARG A 52 -5.260 -12.975 4.541 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.220 -13.253 1.751 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.400 -15.266 3.418 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.651 -14.316 4.196 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -9.126 -14.529 2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.852 -14.687 1.229 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.359 -16.943 2.625 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.059 -16.774 3.014 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.523 -16.487 0.156 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.086 -18.748 2.807 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.683 -20.026 1.743 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.293 -18.133 -1.204 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.799 -19.680 -0.518 1.00 0.00 H new ATOM 774 N HIS A 53 -6.803 -11.008 3.783 1.00 0.00 N ATOM 775 CA HIS A 53 -7.560 -9.801 4.099 1.00 0.00 C ATOM 776 C HIS A 53 -8.498 -9.434 2.954 1.00 0.00 C ATOM 777 O HIS A 53 -8.099 -9.357 1.791 1.00 0.00 O ATOM 778 CB HIS A 53 -6.610 -8.639 4.388 1.00 0.00 C ATOM 779 CG HIS A 53 -7.174 -7.625 5.335 1.00 0.00 C ATOM 780 ND1 HIS A 53 -8.180 -6.748 4.987 1.00 0.00 N ATOM 781 CD2 HIS A 53 -6.870 -7.353 6.625 1.00 0.00 C ATOM 782 CE1 HIS A 53 -8.468 -5.979 6.022 1.00 0.00 C ATOM 783 NE2 HIS A 53 -7.687 -6.326 7.029 1.00 0.00 N ATOM 0 H HIS A 53 -5.850 -11.015 4.147 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.159 -9.999 4.987 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.682 -9.034 4.802 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.356 -8.146 3.450 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.123 -7.851 7.226 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.215 -5.199 6.041 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.690 -5.900 7.956 1.00 0.00 H new ATOM 792 N PRO A 54 -9.777 -9.201 3.287 1.00 0.00 N ATOM 793 CA PRO A 54 -10.799 -8.838 2.301 1.00 0.00 C ATOM 794 C PRO A 54 -10.589 -7.437 1.737 1.00 0.00 C ATOM 795 O PRO A 54 -10.555 -7.245 0.522 1.00 0.00 O ATOM 796 CB PRO A 54 -12.102 -8.903 3.101 1.00 0.00 C ATOM 797 CG PRO A 54 -11.692 -8.669 4.513 1.00 0.00 C ATOM 798 CD PRO A 54 -10.323 -9.275 4.653 1.00 0.00 C ATOM 0 HA PRO A 54 -10.782 -9.498 1.434 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.811 -8.147 2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.589 -9.871 2.986 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.672 -7.604 4.742 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.396 -9.131 5.205 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.708 -8.720 5.362 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.373 -10.303 5.011 1.00 0.00 H new ATOM 806 N ARG A 55 -10.447 -6.461 2.629 1.00 0.00 N ATOM 807 CA ARG A 55 -10.241 -5.077 2.219 1.00 0.00 C ATOM 808 C ARG A 55 -8.859 -4.893 1.600 1.00 0.00 C ATOM 809 O ARG A 55 -8.733 -4.655 0.398 1.00 0.00 O ATOM 810 CB ARG A 55 -10.403 -4.139 3.417 1.00 0.00 C ATOM 811 CG ARG A 55 -11.853 -3.842 3.765 1.00 0.00 C ATOM 812 CD ARG A 55 -11.958 -2.890 4.947 1.00 0.00 C ATOM 813 NE ARG A 55 -10.833 -3.034 5.867 1.00 0.00 N ATOM 814 CZ ARG A 55 -9.685 -2.380 5.733 1.00 0.00 C ATOM 815 NH1 ARG A 55 -9.510 -1.541 4.721 1.00 0.00 N ATOM 816 NH2 ARG A 55 -8.708 -2.564 6.612 1.00 0.00 N ATOM 0 H ARG A 55 -10.471 -6.603 3.639 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.992 -4.831 1.468 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.913 -4.582 4.284 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.889 -3.201 3.206 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.354 -3.407 2.900 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.370 -4.773 3.999 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.000 -1.863 4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.890 -3.077 5.481 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.935 -3.672 6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.258 -1.397 4.043 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.627 -1.040 4.621 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.838 -3.208 7.392 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.827 -2.061 6.508 1.00 0.00 H new ATOM 830 N ILE A 56 -7.825 -5.005 2.428 1.00 0.00 N ATOM 831 CA ILE A 56 -6.453 -4.852 1.961 1.00 0.00 C ATOM 832 C ILE A 56 -6.037 -6.026 1.082 1.00 0.00 C ATOM 833 O ILE A 56 -5.911 -7.155 1.556 1.00 0.00 O ATOM 834 CB ILE A 56 -5.468 -4.732 3.139 1.00 0.00 C ATOM 835 CG1 ILE A 56 -5.913 -3.622 4.093 1.00 0.00 C ATOM 836 CG2 ILE A 56 -4.060 -4.465 2.627 1.00 0.00 C ATOM 837 CD1 ILE A 56 -5.475 -3.844 5.524 1.00 0.00 C ATOM 0 H ILE A 56 -7.912 -5.201 3.425 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.420 -3.934 1.375 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.462 -5.675 3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.513 -2.671 3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.000 -3.542 4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.375 -4.383 3.471 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.745 -5.286 1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.050 -3.535 2.059 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.825 -3.019 6.144 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.897 -4.779 5.893 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.387 -3.895 5.568 1.00 0.00 H new ATOM 849 N SER A 57 -5.823 -5.752 -0.201 1.00 0.00 N ATOM 850 CA SER A 57 -5.423 -6.787 -1.147 1.00 0.00 C ATOM 851 C SER A 57 -4.107 -6.421 -1.826 1.00 0.00 C ATOM 852 O SER A 57 -3.992 -5.372 -2.460 1.00 0.00 O ATOM 853 CB SER A 57 -6.513 -6.994 -2.200 1.00 0.00 C ATOM 854 OG SER A 57 -6.520 -8.330 -2.671 1.00 0.00 O ATOM 0 H SER A 57 -5.920 -4.822 -0.609 1.00 0.00 H new ATOM 0 HA SER A 57 -5.281 -7.716 -0.594 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.486 -6.750 -1.773 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.351 -6.312 -3.035 1.00 0.00 H new ATOM 0 HG SER A 57 -7.227 -8.437 -3.342 1.00 0.00 H new ATOM 860 N VAL A 58 -3.115 -7.296 -1.690 1.00 0.00 N ATOM 861 CA VAL A 58 -1.806 -7.067 -2.291 1.00 0.00 C ATOM 862 C VAL A 58 -1.780 -7.528 -3.743 1.00 0.00 C ATOM 863 O VAL A 58 -1.414 -8.667 -4.039 1.00 0.00 O ATOM 864 CB VAL A 58 -0.696 -7.797 -1.512 1.00 0.00 C ATOM 865 CG1 VAL A 58 0.647 -7.621 -2.205 1.00 0.00 C ATOM 866 CG2 VAL A 58 -0.634 -7.296 -0.077 1.00 0.00 C ATOM 0 H VAL A 58 -3.193 -8.170 -1.169 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.622 -5.993 -2.251 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.931 -8.861 -1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.419 -8.144 -1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.593 -8.033 -3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.892 -6.560 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.156 -7.823 0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.424 -6.226 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.590 -7.479 0.414 1.00 0.00 H new ATOM 876 N LEU A 59 -2.171 -6.638 -4.648 1.00 0.00 N ATOM 877 CA LEU A 59 -2.192 -6.952 -6.072 1.00 0.00 C ATOM 878 C LEU A 59 -0.934 -7.711 -6.481 1.00 0.00 C ATOM 879 O LEU A 59 0.138 -7.506 -5.913 1.00 0.00 O ATOM 880 CB LEU A 59 -2.319 -5.670 -6.896 1.00 0.00 C ATOM 881 CG LEU A 59 -3.626 -4.894 -6.733 1.00 0.00 C ATOM 882 CD1 LEU A 59 -3.887 -4.024 -7.954 1.00 0.00 C ATOM 883 CD2 LEU A 59 -4.788 -5.849 -6.499 1.00 0.00 C ATOM 0 H LEU A 59 -2.478 -5.692 -4.421 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.056 -7.587 -6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.493 -5.010 -6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.200 -5.925 -7.949 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.534 -4.245 -5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.822 -3.479 -7.820 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.068 -3.315 -8.077 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.958 -4.654 -8.841 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.710 -5.279 -6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.881 -6.524 -7.350 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.606 -6.429 -5.594 1.00 0.00 H new ATOM 895 N ASN A 60 -1.072 -8.586 -7.472 1.00 0.00 N ATOM 896 CA ASN A 60 0.054 -9.374 -7.959 1.00 0.00 C ATOM 897 C ASN A 60 1.320 -8.525 -8.033 1.00 0.00 C ATOM 898 O ASN A 60 2.350 -8.876 -7.457 1.00 0.00 O ATOM 899 CB ASN A 60 -0.263 -9.958 -9.337 1.00 0.00 C ATOM 900 CG ASN A 60 -0.936 -11.314 -9.248 1.00 0.00 C ATOM 901 OD1 ASN A 60 -2.082 -11.479 -9.669 1.00 0.00 O ATOM 902 ND2 ASN A 60 -0.226 -12.293 -8.699 1.00 0.00 N ATOM 0 H ASN A 60 -1.953 -8.767 -7.953 1.00 0.00 H new ATOM 0 HA ASN A 60 0.225 -10.190 -7.257 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.910 -9.269 -9.881 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.659 -10.050 -9.911 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.627 -13.227 -8.613 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.720 -12.111 -8.364 1.00 0.00 H new ATOM 909 N ASP A 61 1.235 -7.407 -8.746 1.00 0.00 N ATOM 910 CA ASP A 61 2.373 -6.507 -8.894 1.00 0.00 C ATOM 911 C ASP A 61 2.879 -6.041 -7.533 1.00 0.00 C ATOM 912 O ASP A 61 4.072 -5.804 -7.350 1.00 0.00 O ATOM 913 CB ASP A 61 1.986 -5.299 -9.749 1.00 0.00 C ATOM 914 CG ASP A 61 3.067 -4.237 -9.773 1.00 0.00 C ATOM 915 OD1 ASP A 61 3.342 -3.646 -8.707 1.00 0.00 O ATOM 916 OD2 ASP A 61 3.639 -3.995 -10.857 1.00 0.00 O ATOM 0 H ASP A 61 0.390 -7.103 -9.230 1.00 0.00 H new ATOM 0 HA ASP A 61 3.175 -7.053 -9.391 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.782 -5.629 -10.768 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.063 -4.865 -9.364 1.00 0.00 H new ATOM 921 N GLY A 62 1.962 -5.912 -6.579 1.00 0.00 N ATOM 922 CA GLY A 62 2.334 -5.473 -5.246 1.00 0.00 C ATOM 923 C GLY A 62 1.471 -4.331 -4.749 1.00 0.00 C ATOM 924 O GLY A 62 1.515 -3.975 -3.571 1.00 0.00 O ATOM 0 H GLY A 62 0.968 -6.104 -6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.254 -6.312 -4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.378 -5.161 -5.248 1.00 0.00 H new ATOM 928 N THR A 63 0.684 -3.751 -5.650 1.00 0.00 N ATOM 929 CA THR A 63 -0.191 -2.639 -5.298 1.00 0.00 C ATOM 930 C THR A 63 -1.149 -3.027 -4.177 1.00 0.00 C ATOM 931 O THR A 63 -1.644 -4.155 -4.132 1.00 0.00 O ATOM 932 CB THR A 63 -1.008 -2.160 -6.513 1.00 0.00 C ATOM 933 OG1 THR A 63 -0.155 -1.472 -7.435 1.00 0.00 O ATOM 934 CG2 THR A 63 -2.138 -1.240 -6.076 1.00 0.00 C ATOM 0 H THR A 63 0.635 -4.033 -6.629 1.00 0.00 H new ATOM 0 HA THR A 63 0.452 -1.827 -4.959 1.00 0.00 H new ATOM 0 HB THR A 63 -1.440 -3.034 -7.001 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.681 -1.172 -8.206 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.701 -0.914 -6.951 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.801 -1.775 -5.396 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.723 -0.370 -5.567 1.00 0.00 H new ATOM 942 N LEU A 64 -1.408 -2.088 -3.275 1.00 0.00 N ATOM 943 CA LEU A 64 -2.308 -2.331 -2.153 1.00 0.00 C ATOM 944 C LEU A 64 -3.701 -1.782 -2.444 1.00 0.00 C ATOM 945 O LEU A 64 -3.940 -0.580 -2.336 1.00 0.00 O ATOM 946 CB LEU A 64 -1.752 -1.694 -0.879 1.00 0.00 C ATOM 947 CG LEU A 64 -2.151 -2.363 0.437 1.00 0.00 C ATOM 948 CD1 LEU A 64 -1.759 -3.833 0.428 1.00 0.00 C ATOM 949 CD2 LEU A 64 -1.512 -1.645 1.616 1.00 0.00 C ATOM 0 H LEU A 64 -1.007 -1.150 -3.298 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.385 -3.409 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.664 -1.688 -0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.075 -0.653 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.234 -2.298 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.050 -4.293 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.265 -4.339 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.680 -3.921 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.807 -2.135 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.427 -1.678 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.843 -0.607 1.633 1.00 0.00 H new ATOM 961 N ASN A 65 -4.618 -2.672 -2.811 1.00 0.00 N ATOM 962 CA ASN A 65 -5.988 -2.276 -3.116 1.00 0.00 C ATOM 963 C ASN A 65 -6.877 -2.401 -1.883 1.00 0.00 C ATOM 964 O ASN A 65 -6.805 -3.387 -1.149 1.00 0.00 O ATOM 965 CB ASN A 65 -6.548 -3.135 -4.252 1.00 0.00 C ATOM 966 CG ASN A 65 -7.952 -2.722 -4.650 1.00 0.00 C ATOM 967 OD1 ASN A 65 -8.834 -2.581 -3.802 1.00 0.00 O ATOM 968 ND2 ASN A 65 -8.166 -2.527 -5.946 1.00 0.00 N ATOM 0 H ASN A 65 -4.437 -3.671 -2.904 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.977 -1.232 -3.430 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.891 -3.060 -5.118 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.553 -4.181 -3.945 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.091 -2.249 -6.274 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.405 -2.655 -6.613 1.00 0.00 H new ATOM 975 N PHE A 66 -7.716 -1.394 -1.661 1.00 0.00 N ATOM 976 CA PHE A 66 -8.620 -1.390 -0.516 1.00 0.00 C ATOM 977 C PHE A 66 -10.074 -1.471 -0.971 1.00 0.00 C ATOM 978 O PHE A 66 -10.610 -0.522 -1.544 1.00 0.00 O ATOM 979 CB PHE A 66 -8.405 -0.131 0.325 1.00 0.00 C ATOM 980 CG PHE A 66 -7.098 -0.118 1.063 1.00 0.00 C ATOM 981 CD1 PHE A 66 -5.901 0.008 0.377 1.00 0.00 C ATOM 982 CD2 PHE A 66 -7.065 -0.233 2.444 1.00 0.00 C ATOM 983 CE1 PHE A 66 -4.695 0.021 1.053 1.00 0.00 C ATOM 984 CE2 PHE A 66 -5.863 -0.220 3.125 1.00 0.00 C ATOM 985 CZ PHE A 66 -4.676 -0.095 2.429 1.00 0.00 C ATOM 0 H PHE A 66 -7.789 -0.571 -2.259 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.400 -2.267 0.093 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.455 0.743 -0.325 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.220 -0.041 1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.910 0.097 -0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.989 -0.334 2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.769 0.122 0.506 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.851 -0.308 4.201 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.735 -0.088 2.960 1.00 0.00 H new ATOM 995 N SER A 67 -10.707 -2.611 -0.712 1.00 0.00 N ATOM 996 CA SER A 67 -12.097 -2.818 -1.098 1.00 0.00 C ATOM 997 C SER A 67 -12.972 -1.663 -0.619 1.00 0.00 C ATOM 998 O SER A 67 -13.910 -1.254 -1.303 1.00 0.00 O ATOM 999 CB SER A 67 -12.617 -4.138 -0.525 1.00 0.00 C ATOM 1000 OG SER A 67 -13.777 -4.571 -1.214 1.00 0.00 O ATOM 0 H SER A 67 -10.279 -3.405 -0.236 1.00 0.00 H new ATOM 0 HA SER A 67 -12.143 -2.859 -2.186 1.00 0.00 H new ATOM 0 HB2 SER A 67 -11.841 -4.900 -0.598 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.844 -4.014 0.534 1.00 0.00 H new ATOM 0 HG SER A 67 -14.089 -5.417 -0.830 1.00 0.00 H new ATOM 1006 N HIS A 68 -12.658 -1.142 0.563 1.00 0.00 N ATOM 1007 CA HIS A 68 -13.414 -0.034 1.135 1.00 0.00 C ATOM 1008 C HIS A 68 -12.710 0.525 2.368 1.00 0.00 C ATOM 1009 O HIS A 68 -12.730 -0.085 3.437 1.00 0.00 O ATOM 1010 CB HIS A 68 -14.827 -0.489 1.503 1.00 0.00 C ATOM 1011 CG HIS A 68 -14.857 -1.565 2.545 1.00 0.00 C ATOM 1012 ND1 HIS A 68 -15.028 -1.494 3.886 1.00 0.00 N flip ATOM 1013 CD2 HIS A 68 -14.699 -2.902 2.250 1.00 0.00 C flip ATOM 1014 CE1 HIS A 68 -14.971 -2.777 4.372 1.00 0.00 C flip ATOM 1015 NE2 HIS A 68 -14.772 -3.608 3.364 1.00 0.00 N flip ATOM 0 H HIS A 68 -11.885 -1.469 1.143 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.478 0.755 0.386 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.394 0.370 1.862 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.329 -0.850 0.605 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.540 -3.309 1.262 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.072 -3.061 5.409 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -14.689 -4.622 3.434 1.00 0.00 H new ATOM 1024 N VAL A 69 -12.086 1.688 2.211 1.00 0.00 N ATOM 1025 CA VAL A 69 -11.376 2.330 3.311 1.00 0.00 C ATOM 1026 C VAL A 69 -12.343 2.784 4.399 1.00 0.00 C ATOM 1027 O VAL A 69 -13.553 2.853 4.180 1.00 0.00 O ATOM 1028 CB VAL A 69 -10.563 3.543 2.823 1.00 0.00 C ATOM 1029 CG1 VAL A 69 -9.472 3.101 1.859 1.00 0.00 C ATOM 1030 CG2 VAL A 69 -11.477 4.570 2.172 1.00 0.00 C ATOM 0 H VAL A 69 -12.058 2.205 1.332 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.693 1.587 3.723 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.086 4.010 3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.908 3.971 1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.801 2.405 2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.925 2.609 0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.885 5.420 1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.984 4.118 1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.218 4.909 2.896 1.00 0.00 H new ATOM 1040 N LEU A 70 -11.802 3.095 5.572 1.00 0.00 N ATOM 1041 CA LEU A 70 -12.616 3.544 6.695 1.00 0.00 C ATOM 1042 C LEU A 70 -11.891 4.619 7.499 1.00 0.00 C ATOM 1043 O LEU A 70 -10.668 4.749 7.419 1.00 0.00 O ATOM 1044 CB LEU A 70 -12.967 2.363 7.602 1.00 0.00 C ATOM 1045 CG LEU A 70 -13.389 1.075 6.893 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -13.049 -0.138 7.744 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -14.877 1.105 6.575 1.00 0.00 C ATOM 0 H LEU A 70 -10.803 3.044 5.770 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.535 3.973 6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.103 2.143 8.229 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.774 2.669 8.268 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.838 1.001 5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.356 -1.045 7.224 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.974 -0.168 7.922 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.573 -0.072 8.698 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.160 0.181 6.071 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.445 1.202 7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.093 1.953 5.926 1.00 0.00 H new ATOM 1059 N LEU A 71 -12.650 5.385 8.274 1.00 0.00 N ATOM 1060 CA LEU A 71 -12.079 6.447 9.094 1.00 0.00 C ATOM 1061 C LEU A 71 -11.028 5.892 10.050 1.00 0.00 C ATOM 1062 O LEU A 71 -10.125 6.610 10.480 1.00 0.00 O ATOM 1063 CB LEU A 71 -13.181 7.155 9.886 1.00 0.00 C ATOM 1064 CG LEU A 71 -14.368 7.669 9.070 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -15.513 8.068 9.988 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -13.948 8.843 8.198 1.00 0.00 C ATOM 0 H LEU A 71 -13.663 5.291 8.352 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.597 7.165 8.430 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.557 6.466 10.643 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.737 7.998 10.415 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.713 6.865 8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.349 8.431 9.390 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.832 7.203 10.569 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.180 8.856 10.663 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.805 9.195 7.625 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.577 9.650 8.829 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.160 8.525 7.515 1.00 0.00 H new ATOM 1078 N SER A 72 -11.151 4.609 10.376 1.00 0.00 N ATOM 1079 CA SER A 72 -10.212 3.958 11.282 1.00 0.00 C ATOM 1080 C SER A 72 -8.944 3.541 10.542 1.00 0.00 C ATOM 1081 O SER A 72 -7.907 3.292 11.157 1.00 0.00 O ATOM 1082 CB SER A 72 -10.862 2.735 11.931 1.00 0.00 C ATOM 1083 OG SER A 72 -11.961 3.112 12.742 1.00 0.00 O ATOM 0 H SER A 72 -11.891 4.000 10.026 1.00 0.00 H new ATOM 0 HA SER A 72 -9.941 4.672 12.059 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.197 2.044 11.158 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.125 2.205 12.535 1.00 0.00 H new ATOM 0 HG SER A 72 -12.360 2.312 13.144 1.00 0.00 H new ATOM 1089 N ASP A 73 -9.035 3.468 9.219 1.00 0.00 N ATOM 1090 CA ASP A 73 -7.896 3.083 8.394 1.00 0.00 C ATOM 1091 C ASP A 73 -6.992 4.281 8.123 1.00 0.00 C ATOM 1092 O ASP A 73 -5.850 4.126 7.688 1.00 0.00 O ATOM 1093 CB ASP A 73 -8.377 2.481 7.072 1.00 0.00 C ATOM 1094 CG ASP A 73 -8.736 1.014 7.201 1.00 0.00 C ATOM 1095 OD1 ASP A 73 -7.823 0.198 7.448 1.00 0.00 O ATOM 1096 OD2 ASP A 73 -9.931 0.681 7.056 1.00 0.00 O ATOM 0 H ASP A 73 -9.886 3.670 8.695 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.321 2.333 8.938 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.247 3.035 6.719 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.598 2.597 6.319 1.00 0.00 H new ATOM 1101 N THR A 74 -7.510 5.478 8.380 1.00 0.00 N ATOM 1102 CA THR A 74 -6.751 6.703 8.162 1.00 0.00 C ATOM 1103 C THR A 74 -5.425 6.669 8.912 1.00 0.00 C ATOM 1104 O THR A 74 -5.386 6.402 10.112 1.00 0.00 O ATOM 1105 CB THR A 74 -7.548 7.944 8.607 1.00 0.00 C ATOM 1106 OG1 THR A 74 -8.759 8.046 7.850 1.00 0.00 O ATOM 1107 CG2 THR A 74 -6.723 9.209 8.427 1.00 0.00 C ATOM 0 H THR A 74 -8.453 5.625 8.740 1.00 0.00 H new ATOM 0 HA THR A 74 -6.558 6.769 7.091 1.00 0.00 H new ATOM 0 HB THR A 74 -7.790 7.834 9.664 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.261 8.836 8.140 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.306 10.072 8.748 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.816 9.140 9.028 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.455 9.322 7.377 1.00 0.00 H new ATOM 1115 N GLY A 75 -4.338 6.941 8.196 1.00 0.00 N ATOM 1116 CA GLY A 75 -3.024 6.937 8.811 1.00 0.00 C ATOM 1117 C GLY A 75 -1.905 6.937 7.789 1.00 0.00 C ATOM 1118 O GLY A 75 -1.937 7.699 6.822 1.00 0.00 O ATOM 0 H GLY A 75 -4.344 7.164 7.201 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.925 7.812 9.454 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.928 6.059 9.450 1.00 0.00 H new ATOM 1122 N VAL A 76 -0.910 6.082 8.002 1.00 0.00 N ATOM 1123 CA VAL A 76 0.225 5.986 7.091 1.00 0.00 C ATOM 1124 C VAL A 76 0.578 4.531 6.803 1.00 0.00 C ATOM 1125 O VAL A 76 0.680 3.714 7.718 1.00 0.00 O ATOM 1126 CB VAL A 76 1.464 6.701 7.662 1.00 0.00 C ATOM 1127 CG1 VAL A 76 2.687 6.419 6.802 1.00 0.00 C ATOM 1128 CG2 VAL A 76 1.213 8.197 7.773 1.00 0.00 C ATOM 0 H VAL A 76 -0.867 5.445 8.798 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.072 6.474 6.163 1.00 0.00 H new ATOM 0 HB VAL A 76 1.656 6.314 8.663 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.553 6.932 7.221 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.877 5.346 6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.509 6.776 5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.099 8.686 8.178 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.994 8.603 6.786 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.366 8.376 8.435 1.00 0.00 H new ATOM 1138 N TYR A 77 0.764 4.215 5.527 1.00 0.00 N ATOM 1139 CA TYR A 77 1.104 2.858 5.118 1.00 0.00 C ATOM 1140 C TYR A 77 2.529 2.793 4.575 1.00 0.00 C ATOM 1141 O TYR A 77 2.909 3.571 3.699 1.00 0.00 O ATOM 1142 CB TYR A 77 0.120 2.361 4.058 1.00 0.00 C ATOM 1143 CG TYR A 77 -1.302 2.242 4.559 1.00 0.00 C ATOM 1144 CD1 TYR A 77 -2.052 3.373 4.854 1.00 0.00 C ATOM 1145 CD2 TYR A 77 -1.894 0.998 4.737 1.00 0.00 C ATOM 1146 CE1 TYR A 77 -3.351 3.269 5.314 1.00 0.00 C ATOM 1147 CE2 TYR A 77 -3.193 0.884 5.195 1.00 0.00 C ATOM 1148 CZ TYR A 77 -3.917 2.022 5.482 1.00 0.00 C ATOM 1149 OH TYR A 77 -5.210 1.915 5.938 1.00 0.00 O ATOM 0 H TYR A 77 0.685 4.880 4.758 1.00 0.00 H new ATOM 0 HA TYR A 77 1.039 2.214 5.995 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.141 3.042 3.207 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.451 1.388 3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.613 4.351 4.722 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.330 0.105 4.514 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.920 4.159 5.541 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.639 -0.091 5.327 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.410 2.666 6.535 1.00 0.00 H new ATOM 1159 N THR A 78 3.314 1.859 5.102 1.00 0.00 N ATOM 1160 CA THR A 78 4.696 1.691 4.673 1.00 0.00 C ATOM 1161 C THR A 78 4.862 0.429 3.834 1.00 0.00 C ATOM 1162 O THR A 78 4.350 -0.634 4.187 1.00 0.00 O ATOM 1163 CB THR A 78 5.654 1.623 5.877 1.00 0.00 C ATOM 1164 OG1 THR A 78 5.452 2.756 6.729 1.00 0.00 O ATOM 1165 CG2 THR A 78 7.103 1.582 5.415 1.00 0.00 C ATOM 0 H THR A 78 3.016 1.207 5.827 1.00 0.00 H new ATOM 0 HA THR A 78 4.947 2.562 4.068 1.00 0.00 H new ATOM 0 HB THR A 78 5.440 0.709 6.431 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.064 2.704 7.493 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.760 1.534 6.283 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.261 0.702 4.791 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.327 2.480 4.839 1.00 0.00 H new ATOM 1173 N CYS A 79 5.581 0.552 2.724 1.00 0.00 N ATOM 1174 CA CYS A 79 5.814 -0.580 1.834 1.00 0.00 C ATOM 1175 C CYS A 79 7.207 -1.163 2.050 1.00 0.00 C ATOM 1176 O CYS A 79 8.162 -0.433 2.316 1.00 0.00 O ATOM 1177 CB CYS A 79 5.648 -0.151 0.375 1.00 0.00 C ATOM 1178 SG CYS A 79 5.977 -1.466 -0.822 1.00 0.00 S ATOM 0 H CYS A 79 6.013 1.424 2.419 1.00 0.00 H new ATOM 0 HA CYS A 79 5.078 -1.350 2.065 1.00 0.00 H new ATOM 0 HB2 CYS A 79 4.631 0.214 0.228 1.00 0.00 H new ATOM 0 HB3 CYS A 79 6.319 0.685 0.174 1.00 0.00 H new ATOM 0 HG CYS A 79 5.809 -1.008 -2.027 1.00 0.00 H new ATOM 1184 N MET A 80 7.315 -2.482 1.936 1.00 0.00 N ATOM 1185 CA MET A 80 8.591 -3.164 2.119 1.00 0.00 C ATOM 1186 C MET A 80 8.995 -3.911 0.852 1.00 0.00 C ATOM 1187 O MET A 80 8.158 -4.520 0.185 1.00 0.00 O ATOM 1188 CB MET A 80 8.509 -4.137 3.296 1.00 0.00 C ATOM 1189 CG MET A 80 7.945 -3.514 4.562 1.00 0.00 C ATOM 1190 SD MET A 80 8.407 -4.423 6.049 1.00 0.00 S ATOM 1191 CE MET A 80 6.818 -4.571 6.863 1.00 0.00 C ATOM 0 H MET A 80 6.534 -3.101 1.718 1.00 0.00 H new ATOM 0 HA MET A 80 9.350 -2.411 2.332 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.888 -4.987 3.012 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.506 -4.526 3.505 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.298 -2.486 4.645 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.858 -3.473 4.489 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.965 -4.618 7.942 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.202 -3.706 6.618 1.00 0.00 H new ATOM 0 HE3 MET A 80 6.319 -5.479 6.525 1.00 0.00 H new ATOM 1201 N VAL A 81 10.283 -3.861 0.526 1.00 0.00 N ATOM 1202 CA VAL A 81 10.798 -4.535 -0.660 1.00 0.00 C ATOM 1203 C VAL A 81 12.100 -5.266 -0.355 1.00 0.00 C ATOM 1204 O VAL A 81 13.130 -4.643 -0.097 1.00 0.00 O ATOM 1205 CB VAL A 81 11.039 -3.539 -1.810 1.00 0.00 C ATOM 1206 CG1 VAL A 81 11.645 -4.248 -3.012 1.00 0.00 C ATOM 1207 CG2 VAL A 81 9.741 -2.842 -2.191 1.00 0.00 C ATOM 0 H VAL A 81 10.989 -3.361 1.067 1.00 0.00 H new ATOM 0 HA VAL A 81 10.042 -5.258 -0.967 1.00 0.00 H new ATOM 0 HB VAL A 81 11.746 -2.782 -1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.808 -3.529 -3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.597 -4.697 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.965 -5.027 -3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.929 -2.142 -3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.010 -3.584 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.352 -2.300 -1.329 1.00 0.00 H new ATOM 1217 N THR A 82 12.047 -6.594 -0.386 1.00 0.00 N ATOM 1218 CA THR A 82 13.222 -7.413 -0.112 1.00 0.00 C ATOM 1219 C THR A 82 13.709 -8.115 -1.374 1.00 0.00 C ATOM 1220 O THR A 82 12.989 -8.917 -1.966 1.00 0.00 O ATOM 1221 CB THR A 82 12.931 -8.470 0.970 1.00 0.00 C ATOM 1222 OG1 THR A 82 12.269 -7.861 2.085 1.00 0.00 O ATOM 1223 CG2 THR A 82 14.217 -9.134 1.438 1.00 0.00 C ATOM 0 H THR A 82 11.203 -7.126 -0.598 1.00 0.00 H new ATOM 0 HA THR A 82 13.999 -6.739 0.249 1.00 0.00 H new ATOM 0 HB THR A 82 12.284 -9.233 0.536 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.086 -8.540 2.768 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.986 -9.876 2.202 1.00 0.00 H new ATOM 0 HG22 THR A 82 14.703 -9.622 0.593 1.00 0.00 H new ATOM 0 HG23 THR A 82 14.885 -8.380 1.855 1.00 0.00 H new ATOM 1231 N ASN A 83 14.937 -7.807 -1.780 1.00 0.00 N ATOM 1232 CA ASN A 83 15.520 -8.409 -2.973 1.00 0.00 C ATOM 1233 C ASN A 83 16.982 -8.778 -2.737 1.00 0.00 C ATOM 1234 O ASN A 83 17.693 -8.098 -1.997 1.00 0.00 O ATOM 1235 CB ASN A 83 15.410 -7.450 -4.160 1.00 0.00 C ATOM 1236 CG ASN A 83 16.389 -7.788 -5.269 1.00 0.00 C ATOM 1237 OD1 ASN A 83 17.321 -7.031 -5.540 1.00 0.00 O ATOM 1238 ND2 ASN A 83 16.179 -8.929 -5.916 1.00 0.00 N ATOM 0 H ASN A 83 15.547 -7.145 -1.301 1.00 0.00 H new ATOM 0 HA ASN A 83 14.965 -9.320 -3.198 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.394 -7.479 -4.554 1.00 0.00 H new ATOM 0 HB3 ASN A 83 15.590 -6.431 -3.818 1.00 0.00 H new ATOM 0 HD21 ASN A 83 16.804 -9.209 -6.672 1.00 0.00 H new ATOM 0 HD22 ASN A 83 15.393 -9.525 -5.657 1.00 0.00 H new ATOM 1245 N VAL A 84 17.424 -9.860 -3.371 1.00 0.00 N ATOM 1246 CA VAL A 84 18.801 -10.319 -3.232 1.00 0.00 C ATOM 1247 C VAL A 84 19.784 -9.168 -3.411 1.00 0.00 C ATOM 1248 O VAL A 84 20.765 -9.056 -2.675 1.00 0.00 O ATOM 1249 CB VAL A 84 19.130 -11.424 -4.252 1.00 0.00 C ATOM 1250 CG1 VAL A 84 18.901 -10.927 -5.671 1.00 0.00 C ATOM 1251 CG2 VAL A 84 20.561 -11.906 -4.072 1.00 0.00 C ATOM 0 H VAL A 84 16.848 -10.435 -3.986 1.00 0.00 H new ATOM 0 HA VAL A 84 18.900 -10.724 -2.225 1.00 0.00 H new ATOM 0 HB VAL A 84 18.462 -12.267 -4.076 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.139 -11.722 -6.378 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.858 -10.635 -5.790 1.00 0.00 H new ATOM 0 HG13 VAL A 84 19.542 -10.067 -5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.776 -12.687 -4.801 1.00 0.00 H new ATOM 0 HG22 VAL A 84 21.247 -11.072 -4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.687 -12.305 -3.065 1.00 0.00 H new ATOM 1261 N ALA A 85 19.515 -8.314 -4.393 1.00 0.00 N ATOM 1262 CA ALA A 85 20.375 -7.169 -4.667 1.00 0.00 C ATOM 1263 C ALA A 85 20.384 -6.196 -3.494 1.00 0.00 C ATOM 1264 O ALA A 85 21.444 -5.808 -3.004 1.00 0.00 O ATOM 1265 CB ALA A 85 19.925 -6.464 -5.938 1.00 0.00 C ATOM 0 H ALA A 85 18.708 -8.393 -5.012 1.00 0.00 H new ATOM 0 HA ALA A 85 21.392 -7.535 -4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 85 20.576 -5.611 -6.131 1.00 0.00 H new ATOM 0 HB2 ALA A 85 19.978 -7.158 -6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 85 18.899 -6.117 -5.818 1.00 0.00 H new ATOM 1271 N GLY A 86 19.194 -5.803 -3.047 1.00 0.00 N ATOM 1272 CA GLY A 86 19.088 -4.876 -1.935 1.00 0.00 C ATOM 1273 C GLY A 86 17.661 -4.712 -1.452 1.00 0.00 C ATOM 1274 O GLY A 86 16.715 -5.053 -2.161 1.00 0.00 O ATOM 0 H GLY A 86 18.302 -6.110 -3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.709 -5.229 -1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.480 -3.905 -2.237 1.00 0.00 H new ATOM 1278 N ASN A 87 17.505 -4.189 -0.240 1.00 0.00 N ATOM 1279 CA ASN A 87 16.182 -3.982 0.339 1.00 0.00 C ATOM 1280 C ASN A 87 15.803 -2.505 0.314 1.00 0.00 C ATOM 1281 O ASN A 87 16.668 -1.632 0.233 1.00 0.00 O ATOM 1282 CB ASN A 87 16.144 -4.506 1.776 1.00 0.00 C ATOM 1283 CG ASN A 87 17.067 -3.733 2.698 1.00 0.00 C ATOM 1284 OD1 ASN A 87 18.076 -3.179 2.263 1.00 0.00 O ATOM 1285 ND2 ASN A 87 16.724 -3.693 3.981 1.00 0.00 N ATOM 0 H ASN A 87 18.278 -3.901 0.360 1.00 0.00 H new ATOM 0 HA ASN A 87 15.459 -4.534 -0.261 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.124 -4.447 2.155 1.00 0.00 H new ATOM 0 HB3 ASN A 87 16.426 -5.559 1.783 1.00 0.00 H new ATOM 0 HD21 ASN A 87 17.306 -3.188 4.649 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.878 -4.167 4.298 1.00 0.00 H new ATOM 1292 N SER A 88 14.504 -2.232 0.386 1.00 0.00 N ATOM 1293 CA SER A 88 14.009 -0.860 0.369 1.00 0.00 C ATOM 1294 C SER A 88 12.589 -0.788 0.921 1.00 0.00 C ATOM 1295 O SER A 88 11.926 -1.810 1.093 1.00 0.00 O ATOM 1296 CB SER A 88 14.044 -0.301 -1.054 1.00 0.00 C ATOM 1297 OG SER A 88 13.347 -1.147 -1.952 1.00 0.00 O ATOM 0 H SER A 88 13.775 -2.942 0.457 1.00 0.00 H new ATOM 0 HA SER A 88 14.658 -0.258 1.005 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.600 0.694 -1.068 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.078 -0.193 -1.380 1.00 0.00 H new ATOM 0 HG SER A 88 13.838 -1.201 -2.798 1.00 0.00 H new ATOM 1303 N ASN A 89 12.129 0.428 1.197 1.00 0.00 N ATOM 1304 CA ASN A 89 10.787 0.635 1.731 1.00 0.00 C ATOM 1305 C ASN A 89 10.252 2.009 1.340 1.00 0.00 C ATOM 1306 O ASN A 89 11.002 2.871 0.883 1.00 0.00 O ATOM 1307 CB ASN A 89 10.794 0.492 3.254 1.00 0.00 C ATOM 1308 CG ASN A 89 11.780 1.433 3.919 1.00 0.00 C ATOM 1309 OD1 ASN A 89 12.214 2.418 3.321 1.00 0.00 O ATOM 1310 ND2 ASN A 89 12.139 1.132 5.161 1.00 0.00 N ATOM 0 H ASN A 89 12.665 1.285 1.060 1.00 0.00 H new ATOM 0 HA ASN A 89 10.132 -0.125 1.305 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.793 0.688 3.639 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.042 -0.536 3.518 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.800 1.728 5.659 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.753 0.305 5.617 1.00 0.00 H new ATOM 1317 N ALA A 90 8.951 2.206 1.524 1.00 0.00 N ATOM 1318 CA ALA A 90 8.316 3.475 1.194 1.00 0.00 C ATOM 1319 C ALA A 90 7.217 3.816 2.194 1.00 0.00 C ATOM 1320 O ALA A 90 6.870 3.003 3.050 1.00 0.00 O ATOM 1321 CB ALA A 90 7.751 3.431 -0.219 1.00 0.00 C ATOM 0 H ALA A 90 8.316 1.502 1.900 1.00 0.00 H new ATOM 0 HA ALA A 90 9.074 4.256 1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.279 4.386 -0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.557 3.242 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.011 2.634 -0.290 1.00 0.00 H new ATOM 1327 N SER A 91 6.674 5.024 2.081 1.00 0.00 N ATOM 1328 CA SER A 91 5.617 5.474 2.979 1.00 0.00 C ATOM 1329 C SER A 91 4.562 6.273 2.219 1.00 0.00 C ATOM 1330 O SER A 91 4.814 6.767 1.121 1.00 0.00 O ATOM 1331 CB SER A 91 6.205 6.327 4.105 1.00 0.00 C ATOM 1332 OG SER A 91 7.270 5.653 4.752 1.00 0.00 O ATOM 0 H SER A 91 6.949 5.709 1.376 1.00 0.00 H new ATOM 0 HA SER A 91 5.141 4.593 3.410 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.562 7.274 3.700 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.427 6.564 4.830 1.00 0.00 H new ATOM 0 HG SER A 91 7.630 6.219 5.466 1.00 0.00 H new ATOM 1338 N ALA A 92 3.380 6.395 2.814 1.00 0.00 N ATOM 1339 CA ALA A 92 2.286 7.134 2.195 1.00 0.00 C ATOM 1340 C ALA A 92 1.140 7.344 3.179 1.00 0.00 C ATOM 1341 O ALA A 92 0.905 6.516 4.059 1.00 0.00 O ATOM 1342 CB ALA A 92 1.792 6.406 0.954 1.00 0.00 C ATOM 0 H ALA A 92 3.155 5.992 3.724 1.00 0.00 H new ATOM 0 HA ALA A 92 2.663 8.114 1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.975 6.969 0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.608 6.313 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.438 5.413 1.231 1.00 0.00 H new ATOM 1348 N TYR A 93 0.430 8.456 3.024 1.00 0.00 N ATOM 1349 CA TYR A 93 -0.690 8.776 3.901 1.00 0.00 C ATOM 1350 C TYR A 93 -2.020 8.544 3.192 1.00 0.00 C ATOM 1351 O TYR A 93 -2.135 8.739 1.981 1.00 0.00 O ATOM 1352 CB TYR A 93 -0.597 10.228 4.373 1.00 0.00 C ATOM 1353 CG TYR A 93 -1.535 10.556 5.512 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -1.135 10.400 6.834 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -2.821 11.021 5.267 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -1.989 10.698 7.878 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.682 11.322 6.306 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.261 11.159 7.609 1.00 0.00 C ATOM 1359 OH TYR A 93 -4.115 11.457 8.646 1.00 0.00 O ATOM 0 H TYR A 93 0.610 9.151 2.299 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.641 8.116 4.767 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.427 10.435 4.686 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.814 10.889 3.533 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.140 10.040 7.049 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.154 11.150 4.248 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.663 10.571 8.900 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -4.679 11.683 6.098 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.971 11.770 8.285 1.00 0.00 H new ATOM 1369 N LEU A 94 -3.025 8.127 3.955 1.00 0.00 N ATOM 1370 CA LEU A 94 -4.350 7.869 3.402 1.00 0.00 C ATOM 1371 C LEU A 94 -5.424 8.607 4.194 1.00 0.00 C ATOM 1372 O LEU A 94 -5.688 8.283 5.351 1.00 0.00 O ATOM 1373 CB LEU A 94 -4.640 6.367 3.403 1.00 0.00 C ATOM 1374 CG LEU A 94 -6.072 5.960 3.052 1.00 0.00 C ATOM 1375 CD1 LEU A 94 -6.275 5.970 1.545 1.00 0.00 C ATOM 1376 CD2 LEU A 94 -6.392 4.587 3.626 1.00 0.00 C ATOM 0 H LEU A 94 -2.947 7.960 4.958 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.366 8.235 2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.963 5.886 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.403 5.972 4.391 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.755 6.685 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.299 5.678 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.088 6.972 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.584 5.267 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.415 4.314 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.703 3.850 3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.287 4.613 4.711 1.00 0.00 H new ATOM 1388 N ASN A 95 -6.043 9.598 3.561 1.00 0.00 N ATOM 1389 CA ASN A 95 -7.090 10.381 4.206 1.00 0.00 C ATOM 1390 C ASN A 95 -8.471 9.824 3.871 1.00 0.00 C ATOM 1391 O ASN A 95 -8.836 9.701 2.702 1.00 0.00 O ATOM 1392 CB ASN A 95 -7.001 11.846 3.773 1.00 0.00 C ATOM 1393 CG ASN A 95 -8.093 12.699 4.390 1.00 0.00 C ATOM 1394 OD1 ASN A 95 -8.699 12.321 5.393 1.00 0.00 O ATOM 1395 ND2 ASN A 95 -8.349 13.856 3.791 1.00 0.00 N ATOM 0 H ASN A 95 -5.838 9.878 2.602 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.943 10.318 5.284 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.028 12.247 4.055 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.067 11.906 2.687 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.073 14.472 4.160 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.821 14.129 2.962 1.00 0.00 H new ATOM 1402 N VAL A 96 -9.234 9.487 4.906 1.00 0.00 N ATOM 1403 CA VAL A 96 -10.575 8.945 4.723 1.00 0.00 C ATOM 1404 C VAL A 96 -11.628 9.867 5.325 1.00 0.00 C ATOM 1405 O VAL A 96 -11.620 10.135 6.527 1.00 0.00 O ATOM 1406 CB VAL A 96 -10.707 7.548 5.359 1.00 0.00 C ATOM 1407 CG1 VAL A 96 -12.070 6.947 5.050 1.00 0.00 C ATOM 1408 CG2 VAL A 96 -9.590 6.635 4.876 1.00 0.00 C ATOM 0 H VAL A 96 -8.946 9.580 5.880 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.740 8.864 3.649 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.619 7.650 6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.145 5.960 5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.852 7.593 5.450 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.192 6.857 3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.699 5.653 5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.644 6.537 3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.626 7.061 5.154 1.00 0.00 H new ATOM 1418 N SER A 97 -12.535 10.351 4.482 1.00 0.00 N ATOM 1419 CA SER A 97 -13.595 11.247 4.930 1.00 0.00 C ATOM 1420 C SER A 97 -14.910 10.492 5.099 1.00 0.00 C ATOM 1421 O SER A 97 -15.146 9.480 4.439 1.00 0.00 O ATOM 1422 CB SER A 97 -13.776 12.394 3.935 1.00 0.00 C ATOM 1423 OG SER A 97 -14.523 13.454 4.509 1.00 0.00 O ATOM 0 H SER A 97 -12.557 10.138 3.485 1.00 0.00 H new ATOM 0 HA SER A 97 -13.306 11.657 5.897 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.800 12.762 3.618 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.284 12.029 3.042 1.00 0.00 H new ATOM 0 HG SER A 97 -14.623 14.176 3.854 1.00 0.00 H new ATOM 1429 N SER A 98 -15.762 10.992 5.988 1.00 0.00 N ATOM 1430 CA SER A 98 -17.052 10.363 6.248 1.00 0.00 C ATOM 1431 C SER A 98 -18.156 11.034 5.436 1.00 0.00 C ATOM 1432 O SER A 98 -19.317 11.051 5.841 1.00 0.00 O ATOM 1433 CB SER A 98 -17.386 10.433 7.739 1.00 0.00 C ATOM 1434 OG SER A 98 -18.203 9.342 8.130 1.00 0.00 O ATOM 0 H SER A 98 -15.583 11.831 6.540 1.00 0.00 H new ATOM 0 HA SER A 98 -16.987 9.318 5.947 1.00 0.00 H new ATOM 0 HB2 SER A 98 -16.465 10.429 8.322 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.897 11.371 7.957 1.00 0.00 H new ATOM 0 HG SER A 98 -17.790 8.503 7.837 1.00 0.00 H new ATOM 1440 N GLY A 99 -17.784 11.585 4.284 1.00 0.00 N ATOM 1441 CA GLY A 99 -18.752 12.250 3.433 1.00 0.00 C ATOM 1442 C GLY A 99 -20.053 11.479 3.323 1.00 0.00 C ATOM 1443 O GLY A 99 -20.116 10.283 3.606 1.00 0.00 O ATOM 0 H GLY A 99 -16.829 11.582 3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -18.955 13.245 3.828 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -18.326 12.383 2.438 1.00 0.00 H new ATOM 1447 N PRO A 100 -21.122 12.172 2.904 1.00 0.00 N ATOM 1448 CA PRO A 100 -22.448 11.565 2.749 1.00 0.00 C ATOM 1449 C PRO A 100 -22.504 10.585 1.582 1.00 0.00 C ATOM 1450 O PRO A 100 -21.593 10.536 0.756 1.00 0.00 O ATOM 1451 CB PRO A 100 -23.359 12.766 2.482 1.00 0.00 C ATOM 1452 CG PRO A 100 -22.461 13.801 1.897 1.00 0.00 C ATOM 1453 CD PRO A 100 -21.120 13.601 2.549 1.00 0.00 C ATOM 0 HA PRO A 100 -22.734 10.982 3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -24.164 12.507 1.795 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -23.826 13.121 3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -22.390 13.690 0.815 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -22.843 14.803 2.090 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -20.303 13.845 1.870 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -21.003 14.233 3.429 1.00 0.00 H new ATOM 1461 N SER A 101 -23.578 9.805 1.521 1.00 0.00 N ATOM 1462 CA SER A 101 -23.751 8.823 0.457 1.00 0.00 C ATOM 1463 C SER A 101 -25.139 8.937 -0.167 1.00 0.00 C ATOM 1464 O SER A 101 -25.965 9.737 0.272 1.00 0.00 O ATOM 1465 CB SER A 101 -23.539 7.409 1.000 1.00 0.00 C ATOM 1466 OG SER A 101 -24.652 6.984 1.767 1.00 0.00 O ATOM 0 H SER A 101 -24.342 9.834 2.196 1.00 0.00 H new ATOM 0 HA SER A 101 -23.007 9.024 -0.314 1.00 0.00 H new ATOM 0 HB2 SER A 101 -23.379 6.718 0.172 1.00 0.00 H new ATOM 0 HB3 SER A 101 -22.639 7.383 1.614 1.00 0.00 H new ATOM 0 HG SER A 101 -24.492 6.077 2.101 1.00 0.00 H new ATOM 1472 N SER A 102 -25.386 8.132 -1.195 1.00 0.00 N ATOM 1473 CA SER A 102 -26.671 8.144 -1.883 1.00 0.00 C ATOM 1474 C SER A 102 -27.376 6.798 -1.742 1.00 0.00 C ATOM 1475 O SER A 102 -28.581 6.738 -1.500 1.00 0.00 O ATOM 1476 CB SER A 102 -26.478 8.477 -3.364 1.00 0.00 C ATOM 1477 OG SER A 102 -27.723 8.691 -4.006 1.00 0.00 O ATOM 0 H SER A 102 -24.713 7.463 -1.570 1.00 0.00 H new ATOM 0 HA SER A 102 -27.293 8.911 -1.423 1.00 0.00 H new ATOM 0 HB2 SER A 102 -25.857 9.368 -3.462 1.00 0.00 H new ATOM 0 HB3 SER A 102 -25.947 7.663 -3.857 1.00 0.00 H new ATOM 0 HG SER A 102 -27.572 8.904 -4.951 1.00 0.00 H new ATOM 1483 N GLY A 103 -26.614 5.719 -1.895 1.00 0.00 N ATOM 1484 CA GLY A 103 -27.182 4.388 -1.781 1.00 0.00 C ATOM 1485 C GLY A 103 -27.537 4.029 -0.351 1.00 0.00 C ATOM 1486 O GLY A 103 -26.695 4.110 0.543 1.00 0.00 O ATOM 0 H GLY A 103 -25.614 5.743 -2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -28.076 4.324 -2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -26.471 3.659 -2.170 1.00 0.00 H new TER 1490 GLY A 103