USER MOD reduce.3.24.130724 H: found=0, std=0, add=883, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 883 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 54 HIS : no HD1:sc= 0.16 X(o=0.35,f=0) USER MOD Set 1.2: A 58 THR OG1 : rot 167:sc= 0.19 USER MOD Set 2.1: A 43 THR OG1 : rot 180:sc= 0.0272 USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= 0.0159 USER MOD Set 3.1: A 26 TYR OH : rot -105:sc= 0.433 USER MOD Set 3.2: A 35 SER OG : rot -104:sc= 1.61 USER MOD Set 4.1: A 23 GLN : amide:sc= 0.555 K(o=1.1,f=0.45) USER MOD Set 4.2: A 29 GLN : amide:sc= 0.507 K(o=1.1,f=0.45) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.0505 (180deg=-0.198) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.529 K(o=-0.53,f=-2.3!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 8 SER OG : rot 180:sc= 0.193 USER MOD Single : A 13 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.11) USER MOD Single : A 18 MET CE :methyl -158:sc= -0.199 (180deg=-1.01) USER MOD Single : A 22 SER OG : rot 82:sc= 1.18 USER MOD Single : A 28 SER OG : rot -90:sc= 1.07 USER MOD Single : A 32 THR OG1 : rot 71:sc= 0.502 USER MOD Single : A 34 CYS SG : rot -80:sc= 0.86 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= 0.0581 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0464 F(o=-1.1,f=-0.046) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.193 K(o=-0.19,f=-4.2!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 94 SER OG : rot -41:sc= 0.168 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -179:sc= 2.13 (180deg=2.12) USER MOD Single : A 107 LYS NZ :NH3+ -171:sc=-0.00857 (180deg=-0.109) USER MOD Single : A 108 LYS NZ :NH3+ -162:sc= -0.117 (180deg=-0.552) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.427 -23.618 8.607 1.00 0.00 N ATOM 2 CA MET A 1 2.565 -22.240 8.084 1.00 0.00 C ATOM 3 C MET A 1 3.843 -21.615 8.618 1.00 0.00 C ATOM 4 O MET A 1 4.432 -22.123 9.572 1.00 0.00 O ATOM 5 CB MET A 1 1.370 -21.382 8.512 1.00 0.00 C ATOM 6 CG MET A 1 0.031 -21.885 8.003 1.00 0.00 C ATOM 7 SD MET A 1 -1.352 -20.879 8.572 1.00 0.00 S ATOM 8 CE MET A 1 -2.723 -21.782 7.862 1.00 0.00 C ATOM 0 H1 MET A 1 2.196 -24.264 7.826 1.00 0.00 H new ATOM 0 H2 MET A 1 3.321 -23.913 9.048 1.00 0.00 H new ATOM 0 H3 MET A 1 1.666 -23.646 9.315 1.00 0.00 H new ATOM 0 HA MET A 1 2.601 -22.285 6.995 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.339 -21.338 9.601 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.522 -20.363 8.156 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.042 -21.897 6.913 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.114 -22.914 8.331 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.659 -21.287 8.122 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.617 -21.811 6.778 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.730 -22.800 8.253 1.00 0.00 H new ATOM 20 N THR A 2 4.267 -20.520 8.012 1.00 0.00 N ATOM 21 CA THR A 2 5.421 -19.789 8.497 1.00 0.00 C ATOM 22 C THR A 2 4.956 -18.594 9.326 1.00 0.00 C ATOM 23 O THR A 2 3.912 -17.997 9.041 1.00 0.00 O ATOM 24 CB THR A 2 6.336 -19.321 7.337 1.00 0.00 C ATOM 25 OG1 THR A 2 7.533 -18.725 7.857 1.00 0.00 O ATOM 26 CG2 THR A 2 5.623 -18.325 6.430 1.00 0.00 C ATOM 0 H THR A 2 3.828 -20.119 7.183 1.00 0.00 H new ATOM 0 HA THR A 2 6.011 -20.460 9.121 1.00 0.00 H new ATOM 0 HB THR A 2 6.593 -20.200 6.746 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.103 -18.435 7.115 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.294 -18.018 5.628 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.736 -18.793 6.002 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.328 -17.451 7.010 1.00 0.00 H new ATOM 34 N LYS A 3 5.704 -18.272 10.367 1.00 0.00 N ATOM 35 CA LYS A 3 5.361 -17.163 11.240 1.00 0.00 C ATOM 36 C LYS A 3 6.604 -16.320 11.500 1.00 0.00 C ATOM 37 O LYS A 3 7.712 -16.714 11.132 1.00 0.00 O ATOM 38 CB LYS A 3 4.773 -17.686 12.559 1.00 0.00 C ATOM 39 CG LYS A 3 4.059 -16.619 13.376 1.00 0.00 C ATOM 40 CD LYS A 3 3.549 -17.155 14.703 1.00 0.00 C ATOM 41 CE LYS A 3 4.687 -17.550 15.629 1.00 0.00 C ATOM 42 NZ LYS A 3 4.196 -17.919 16.985 1.00 0.00 N ATOM 0 H LYS A 3 6.557 -18.766 10.629 1.00 0.00 H new ATOM 0 HA LYS A 3 4.607 -16.542 10.757 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.073 -18.492 12.340 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.575 -18.115 13.160 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.741 -15.788 13.560 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.222 -16.223 12.801 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.933 -16.398 15.188 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.910 -18.020 14.524 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.230 -18.391 15.198 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.392 -16.723 15.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.003 -18.182 17.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.699 -17.108 17.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.543 -18.725 16.910 1.00 0.00 H new ATOM 56 N ASN A 4 6.413 -15.167 12.131 1.00 0.00 N ATOM 57 CA ASN A 4 7.510 -14.256 12.426 1.00 0.00 C ATOM 58 C ASN A 4 8.519 -14.897 13.374 1.00 0.00 C ATOM 59 O ASN A 4 8.217 -15.872 14.066 1.00 0.00 O ATOM 60 CB ASN A 4 6.980 -12.935 13.013 1.00 0.00 C ATOM 61 CG ASN A 4 6.210 -13.092 14.320 1.00 0.00 C ATOM 62 OD1 ASN A 4 6.492 -13.963 15.142 1.00 0.00 O ATOM 63 ND2 ASN A 4 5.218 -12.242 14.520 1.00 0.00 N ATOM 0 H ASN A 4 5.501 -14.840 12.450 1.00 0.00 H new ATOM 0 HA ASN A 4 8.021 -14.036 11.489 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.821 -12.262 13.179 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.331 -12.459 12.278 1.00 0.00 H new ATOM 0 HD21 ASN A 4 4.663 -12.298 15.374 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.007 -11.530 13.820 1.00 0.00 H new ATOM 70 N THR A 5 9.722 -14.358 13.379 1.00 0.00 N ATOM 71 CA THR A 5 10.756 -14.816 14.281 1.00 0.00 C ATOM 72 C THR A 5 10.696 -14.001 15.576 1.00 0.00 C ATOM 73 O THR A 5 9.837 -13.129 15.723 1.00 0.00 O ATOM 74 CB THR A 5 12.149 -14.691 13.621 1.00 0.00 C ATOM 75 OG1 THR A 5 13.173 -15.146 14.511 1.00 0.00 O ATOM 76 CG2 THR A 5 12.431 -13.252 13.208 1.00 0.00 C ATOM 0 H THR A 5 10.007 -13.597 12.763 1.00 0.00 H new ATOM 0 HA THR A 5 10.590 -15.868 14.513 1.00 0.00 H new ATOM 0 HB THR A 5 12.149 -15.317 12.729 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.047 -15.061 14.075 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.417 -13.192 12.747 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.676 -12.924 12.494 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.403 -12.609 14.088 1.00 0.00 H new ATOM 84 N ARG A 6 11.589 -14.276 16.518 1.00 0.00 N ATOM 85 CA ARG A 6 11.597 -13.529 17.765 1.00 0.00 C ATOM 86 C ARG A 6 12.434 -12.269 17.631 1.00 0.00 C ATOM 87 O ARG A 6 12.523 -11.462 18.553 1.00 0.00 O ATOM 88 CB ARG A 6 12.043 -14.396 18.942 1.00 0.00 C ATOM 89 CG ARG A 6 11.048 -15.507 19.248 1.00 0.00 C ATOM 90 CD ARG A 6 9.606 -15.017 19.122 1.00 0.00 C ATOM 91 NE ARG A 6 9.243 -14.043 20.155 1.00 0.00 N ATOM 92 CZ ARG A 6 8.897 -12.769 19.916 1.00 0.00 C ATOM 93 NH1 ARG A 6 8.914 -12.278 18.681 1.00 0.00 N ATOM 94 NH2 ARG A 6 8.522 -11.991 20.923 1.00 0.00 N ATOM 0 H ARG A 6 12.305 -14.999 16.444 1.00 0.00 H new ATOM 0 HA ARG A 6 10.574 -13.222 17.980 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.016 -14.833 18.720 1.00 0.00 H new ATOM 0 HB3 ARG A 6 12.169 -13.770 19.825 1.00 0.00 H new ATOM 0 HG2 ARG A 6 11.211 -16.341 18.566 1.00 0.00 H new ATOM 0 HG3 ARG A 6 11.219 -15.883 20.257 1.00 0.00 H new ATOM 0 HD2 ARG A 6 9.465 -14.567 18.139 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.931 -15.871 19.181 1.00 0.00 H new ATOM 0 HE ARG A 6 9.254 -14.356 21.126 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.193 -12.872 17.900 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.648 -11.307 18.514 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.498 -12.362 21.873 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.258 -11.022 20.748 1.00 0.00 H new ATOM 108 N PHE A 7 13.040 -12.107 16.469 1.00 0.00 N ATOM 109 CA PHE A 7 13.564 -10.817 16.070 1.00 0.00 C ATOM 110 C PHE A 7 12.414 -10.019 15.474 1.00 0.00 C ATOM 111 O PHE A 7 12.261 -9.938 14.255 1.00 0.00 O ATOM 112 CB PHE A 7 14.707 -10.966 15.061 1.00 0.00 C ATOM 113 CG PHE A 7 15.899 -11.695 15.610 1.00 0.00 C ATOM 114 CD1 PHE A 7 16.883 -11.010 16.306 1.00 0.00 C ATOM 115 CD2 PHE A 7 16.038 -13.063 15.428 1.00 0.00 C ATOM 116 CE1 PHE A 7 17.982 -11.675 16.813 1.00 0.00 C ATOM 117 CE2 PHE A 7 17.135 -13.732 15.934 1.00 0.00 C ATOM 118 CZ PHE A 7 18.110 -13.038 16.626 1.00 0.00 C ATOM 0 H PHE A 7 13.181 -12.852 15.787 1.00 0.00 H new ATOM 0 HA PHE A 7 13.979 -10.300 16.935 1.00 0.00 H new ATOM 0 HB2 PHE A 7 14.339 -11.497 14.183 1.00 0.00 H new ATOM 0 HB3 PHE A 7 15.018 -9.976 14.728 1.00 0.00 H new ATOM 0 HD1 PHE A 7 16.789 -9.944 16.453 1.00 0.00 H new ATOM 0 HD2 PHE A 7 15.281 -13.610 14.885 1.00 0.00 H new ATOM 0 HE1 PHE A 7 18.741 -11.130 17.355 1.00 0.00 H new ATOM 0 HE2 PHE A 7 17.231 -14.798 15.789 1.00 0.00 H new ATOM 0 HZ PHE A 7 18.970 -13.560 17.020 1.00 0.00 H new ATOM 128 N SER A 8 11.580 -9.488 16.360 1.00 0.00 N ATOM 129 CA SER A 8 10.322 -8.864 15.983 1.00 0.00 C ATOM 130 C SER A 8 10.528 -7.749 14.955 1.00 0.00 C ATOM 131 O SER A 8 11.512 -7.011 15.015 1.00 0.00 O ATOM 132 CB SER A 8 9.633 -8.323 17.236 1.00 0.00 C ATOM 133 OG SER A 8 9.493 -9.344 18.214 1.00 0.00 O ATOM 0 H SER A 8 11.760 -9.479 17.364 1.00 0.00 H new ATOM 0 HA SER A 8 9.689 -9.617 15.514 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.212 -7.496 17.647 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.652 -7.926 16.975 1.00 0.00 H new ATOM 0 HG SER A 8 9.052 -8.978 19.009 1.00 0.00 H new ATOM 139 N PRO A 9 9.592 -7.629 13.994 1.00 0.00 N ATOM 140 CA PRO A 9 9.663 -6.641 12.911 1.00 0.00 C ATOM 141 C PRO A 9 9.913 -5.226 13.421 1.00 0.00 C ATOM 142 O PRO A 9 10.728 -4.493 12.860 1.00 0.00 O ATOM 143 CB PRO A 9 8.285 -6.730 12.233 1.00 0.00 C ATOM 144 CG PRO A 9 7.441 -7.561 13.143 1.00 0.00 C ATOM 145 CD PRO A 9 8.388 -8.462 13.877 1.00 0.00 C ATOM 0 HA PRO A 9 10.494 -6.851 12.238 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.852 -5.739 12.093 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.363 -7.186 11.246 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.882 -6.934 13.837 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.711 -8.140 12.578 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.998 -8.752 14.853 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.583 -9.382 13.326 1.00 0.00 H new ATOM 153 N GLU A 10 9.220 -4.852 14.492 1.00 0.00 N ATOM 154 CA GLU A 10 9.397 -3.536 15.091 1.00 0.00 C ATOM 155 C GLU A 10 10.825 -3.361 15.593 1.00 0.00 C ATOM 156 O GLU A 10 11.453 -2.337 15.344 1.00 0.00 O ATOM 157 CB GLU A 10 8.412 -3.326 16.236 1.00 0.00 C ATOM 158 CG GLU A 10 6.973 -3.182 15.783 1.00 0.00 C ATOM 159 CD GLU A 10 6.026 -2.939 16.938 1.00 0.00 C ATOM 160 OE1 GLU A 10 6.142 -1.883 17.593 1.00 0.00 O ATOM 161 OE2 GLU A 10 5.160 -3.803 17.195 1.00 0.00 O ATOM 0 H GLU A 10 8.532 -5.441 14.961 1.00 0.00 H new ATOM 0 HA GLU A 10 9.202 -2.788 14.322 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.484 -4.168 16.925 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.700 -2.434 16.792 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.899 -2.356 15.076 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.670 -4.084 15.252 1.00 0.00 H new ATOM 168 N VAL A 11 11.334 -4.377 16.280 1.00 0.00 N ATOM 169 CA VAL A 11 12.698 -4.354 16.793 1.00 0.00 C ATOM 170 C VAL A 11 13.701 -4.283 15.644 1.00 0.00 C ATOM 171 O VAL A 11 14.660 -3.515 15.688 1.00 0.00 O ATOM 172 CB VAL A 11 13.001 -5.599 17.656 1.00 0.00 C ATOM 173 CG1 VAL A 11 14.428 -5.561 18.190 1.00 0.00 C ATOM 174 CG2 VAL A 11 12.011 -5.710 18.804 1.00 0.00 C ATOM 0 H VAL A 11 10.819 -5.231 16.495 1.00 0.00 H new ATOM 0 HA VAL A 11 12.793 -3.466 17.418 1.00 0.00 H new ATOM 0 HB VAL A 11 12.898 -6.479 17.021 1.00 0.00 H new ATOM 0 HG11 VAL A 11 14.614 -6.449 18.794 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.128 -5.536 17.355 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.563 -4.670 18.803 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.242 -6.593 19.399 1.00 0.00 H new ATOM 0 HG22 VAL A 11 12.080 -4.821 19.431 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.000 -5.795 18.406 1.00 0.00 H new ATOM 184 N ARG A 12 13.461 -5.082 14.612 1.00 0.00 N ATOM 185 CA ARG A 12 14.331 -5.110 13.441 1.00 0.00 C ATOM 186 C ARG A 12 14.363 -3.741 12.767 1.00 0.00 C ATOM 187 O ARG A 12 15.431 -3.228 12.436 1.00 0.00 O ATOM 188 CB ARG A 12 13.862 -6.184 12.451 1.00 0.00 C ATOM 189 CG ARG A 12 14.798 -6.368 11.266 1.00 0.00 C ATOM 190 CD ARG A 12 14.355 -7.512 10.366 1.00 0.00 C ATOM 191 NE ARG A 12 13.102 -7.228 9.668 1.00 0.00 N ATOM 192 CZ ARG A 12 12.417 -8.133 8.962 1.00 0.00 C ATOM 193 NH1 ARG A 12 12.836 -9.394 8.894 1.00 0.00 N ATOM 194 NH2 ARG A 12 11.312 -7.769 8.331 1.00 0.00 N ATOM 0 H ARG A 12 12.668 -5.722 14.561 1.00 0.00 H new ATOM 0 HA ARG A 12 15.341 -5.358 13.767 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.764 -7.134 12.977 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.871 -5.919 12.083 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.837 -5.445 10.687 1.00 0.00 H new ATOM 0 HG3 ARG A 12 15.808 -6.561 11.628 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.136 -7.716 9.634 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.236 -8.415 10.965 1.00 0.00 H new ATOM 0 HE ARG A 12 12.728 -6.281 9.723 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.686 -9.676 9.383 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.308 -10.079 8.353 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.988 -6.803 8.385 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.784 -8.454 7.790 1.00 0.00 H new ATOM 208 N GLN A 13 13.189 -3.148 12.585 1.00 0.00 N ATOM 209 CA GLN A 13 13.079 -1.828 11.979 1.00 0.00 C ATOM 210 C GLN A 13 13.724 -0.780 12.881 1.00 0.00 C ATOM 211 O GLN A 13 14.423 0.122 12.412 1.00 0.00 O ATOM 212 CB GLN A 13 11.606 -1.479 11.739 1.00 0.00 C ATOM 213 CG GLN A 13 11.400 -0.235 10.887 1.00 0.00 C ATOM 214 CD GLN A 13 11.892 -0.417 9.463 1.00 0.00 C ATOM 215 OE1 GLN A 13 11.143 -0.852 8.588 1.00 0.00 O ATOM 216 NE2 GLN A 13 13.148 -0.083 9.219 1.00 0.00 N ATOM 0 H GLN A 13 12.296 -3.564 12.850 1.00 0.00 H new ATOM 0 HA GLN A 13 13.600 -1.837 11.022 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.116 -2.324 11.255 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.115 -1.334 12.701 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.340 0.020 10.872 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.923 0.605 11.344 1.00 0.00 H new ATOM 0 HE21 GLN A 13 13.736 0.274 9.972 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.528 -0.182 8.278 1.00 0.00 H new ATOM 225 N ARG A 14 13.486 -0.925 14.180 1.00 0.00 N ATOM 226 CA ARG A 14 14.045 -0.029 15.186 1.00 0.00 C ATOM 227 C ARG A 14 15.566 -0.066 15.129 1.00 0.00 C ATOM 228 O ARG A 14 16.225 0.966 15.193 1.00 0.00 O ATOM 229 CB ARG A 14 13.567 -0.453 16.581 1.00 0.00 C ATOM 230 CG ARG A 14 13.657 0.634 17.642 1.00 0.00 C ATOM 231 CD ARG A 14 12.652 1.745 17.381 1.00 0.00 C ATOM 232 NE ARG A 14 12.455 2.599 18.548 1.00 0.00 N ATOM 233 CZ ARG A 14 11.343 3.296 18.774 1.00 0.00 C ATOM 234 NH1 ARG A 14 10.342 3.253 17.908 1.00 0.00 N ATOM 235 NH2 ARG A 14 11.232 4.024 19.873 1.00 0.00 N ATOM 0 H ARG A 14 12.901 -1.666 14.565 1.00 0.00 H new ATOM 0 HA ARG A 14 13.707 0.987 14.984 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.532 -0.787 16.509 1.00 0.00 H new ATOM 0 HB3 ARG A 14 14.157 -1.310 16.907 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.476 0.201 18.626 1.00 0.00 H new ATOM 0 HG3 ARG A 14 14.665 1.048 17.657 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.994 2.352 16.543 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.698 1.307 17.089 1.00 0.00 H new ATOM 0 HE ARG A 14 13.212 2.666 19.229 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.421 2.685 17.065 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.492 3.788 18.084 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.998 4.051 20.546 1.00 0.00 H new ATOM 0 HH22 ARG A 14 10.381 4.558 20.047 1.00 0.00 H new ATOM 249 N ALA A 15 16.108 -1.272 14.998 1.00 0.00 N ATOM 250 CA ALA A 15 17.548 -1.470 14.912 1.00 0.00 C ATOM 251 C ALA A 15 18.130 -0.753 13.702 1.00 0.00 C ATOM 252 O ALA A 15 19.139 -0.058 13.815 1.00 0.00 O ATOM 253 CB ALA A 15 17.873 -2.956 14.857 1.00 0.00 C ATOM 0 H ALA A 15 15.565 -2.134 14.949 1.00 0.00 H new ATOM 0 HA ALA A 15 18.003 -1.043 15.806 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.953 -3.090 14.793 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.500 -3.444 15.757 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.400 -3.400 13.981 1.00 0.00 H new ATOM 259 N VAL A 16 17.481 -0.914 12.554 1.00 0.00 N ATOM 260 CA VAL A 16 17.935 -0.280 11.319 1.00 0.00 C ATOM 261 C VAL A 16 18.033 1.233 11.491 1.00 0.00 C ATOM 262 O VAL A 16 19.050 1.844 11.149 1.00 0.00 O ATOM 263 CB VAL A 16 16.999 -0.607 10.134 1.00 0.00 C ATOM 264 CG1 VAL A 16 17.453 0.108 8.870 1.00 0.00 C ATOM 265 CG2 VAL A 16 16.935 -2.109 9.900 1.00 0.00 C ATOM 0 H VAL A 16 16.638 -1.479 12.452 1.00 0.00 H new ATOM 0 HA VAL A 16 18.924 -0.681 11.097 1.00 0.00 H new ATOM 0 HB VAL A 16 16.000 -0.253 10.386 1.00 0.00 H new ATOM 0 HG11 VAL A 16 16.778 -0.138 8.050 1.00 0.00 H new ATOM 0 HG12 VAL A 16 17.443 1.185 9.037 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.464 -0.210 8.615 1.00 0.00 H new ATOM 0 HG21 VAL A 16 16.271 -2.319 9.062 1.00 0.00 H new ATOM 0 HG22 VAL A 16 17.933 -2.485 9.675 1.00 0.00 H new ATOM 0 HG23 VAL A 16 16.555 -2.601 10.795 1.00 0.00 H new ATOM 275 N ARG A 17 16.987 1.837 12.046 1.00 0.00 N ATOM 276 CA ARG A 17 16.999 3.271 12.297 1.00 0.00 C ATOM 277 C ARG A 17 18.031 3.622 13.362 1.00 0.00 C ATOM 278 O ARG A 17 18.740 4.616 13.238 1.00 0.00 O ATOM 279 CB ARG A 17 15.624 3.774 12.733 1.00 0.00 C ATOM 280 CG ARG A 17 15.653 5.226 13.184 1.00 0.00 C ATOM 281 CD ARG A 17 14.332 5.675 13.775 1.00 0.00 C ATOM 282 NE ARG A 17 14.492 6.912 14.537 1.00 0.00 N ATOM 283 CZ ARG A 17 13.489 7.695 14.920 1.00 0.00 C ATOM 284 NH1 ARG A 17 12.246 7.426 14.544 1.00 0.00 N ATOM 285 NH2 ARG A 17 13.743 8.764 15.662 1.00 0.00 N ATOM 0 H ARG A 17 16.130 1.361 12.327 1.00 0.00 H new ATOM 0 HA ARG A 17 17.266 3.762 11.361 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.922 3.667 11.906 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.254 3.151 13.547 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.442 5.358 13.924 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.903 5.862 12.335 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.605 5.827 12.977 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.935 4.893 14.423 1.00 0.00 H new ATOM 0 HE ARG A 17 15.439 7.194 14.792 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.055 6.614 13.957 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.481 8.031 14.842 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.702 8.980 15.934 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.979 9.371 15.961 1.00 0.00 H new ATOM 299 N MET A 18 18.106 2.800 14.404 1.00 0.00 N ATOM 300 CA MET A 18 19.045 3.022 15.498 1.00 0.00 C ATOM 301 C MET A 18 20.475 3.094 14.979 1.00 0.00 C ATOM 302 O MET A 18 21.274 3.906 15.450 1.00 0.00 O ATOM 303 CB MET A 18 18.916 1.913 16.545 1.00 0.00 C ATOM 304 CG MET A 18 19.801 2.107 17.765 1.00 0.00 C ATOM 305 SD MET A 18 19.528 0.847 19.026 1.00 0.00 S ATOM 306 CE MET A 18 17.798 1.125 19.405 1.00 0.00 C ATOM 0 H MET A 18 17.524 1.969 14.514 1.00 0.00 H new ATOM 0 HA MET A 18 18.802 3.976 15.966 1.00 0.00 H new ATOM 0 HB2 MET A 18 17.877 1.853 16.869 1.00 0.00 H new ATOM 0 HB3 MET A 18 19.161 0.958 16.080 1.00 0.00 H new ATOM 0 HG2 MET A 18 20.847 2.088 17.458 1.00 0.00 H new ATOM 0 HG3 MET A 18 19.613 3.091 18.193 1.00 0.00 H new ATOM 0 HE1 MET A 18 17.574 0.728 20.395 1.00 0.00 H new ATOM 0 HE2 MET A 18 17.589 2.195 19.387 1.00 0.00 H new ATOM 0 HE3 MET A 18 17.178 0.622 18.663 1.00 0.00 H new ATOM 316 N VAL A 19 20.788 2.252 14.000 1.00 0.00 N ATOM 317 CA VAL A 19 22.095 2.279 13.366 1.00 0.00 C ATOM 318 C VAL A 19 22.332 3.620 12.686 1.00 0.00 C ATOM 319 O VAL A 19 23.322 4.280 12.952 1.00 0.00 O ATOM 320 CB VAL A 19 22.265 1.146 12.331 1.00 0.00 C ATOM 321 CG1 VAL A 19 23.613 1.257 11.629 1.00 0.00 C ATOM 322 CG2 VAL A 19 22.126 -0.212 13.001 1.00 0.00 C ATOM 0 H VAL A 19 20.153 1.544 13.631 1.00 0.00 H new ATOM 0 HA VAL A 19 22.831 2.130 14.156 1.00 0.00 H new ATOM 0 HB VAL A 19 21.479 1.245 11.583 1.00 0.00 H new ATOM 0 HG11 VAL A 19 23.713 0.449 10.904 1.00 0.00 H new ATOM 0 HG12 VAL A 19 23.678 2.216 11.115 1.00 0.00 H new ATOM 0 HG13 VAL A 19 24.414 1.185 12.365 1.00 0.00 H new ATOM 0 HG21 VAL A 19 22.249 -0.999 12.257 1.00 0.00 H new ATOM 0 HG22 VAL A 19 22.891 -0.318 13.771 1.00 0.00 H new ATOM 0 HG23 VAL A 19 21.139 -0.294 13.456 1.00 0.00 H new ATOM 332 N LEU A 20 21.402 4.029 11.832 1.00 0.00 N ATOM 333 CA LEU A 20 21.533 5.286 11.097 1.00 0.00 C ATOM 334 C LEU A 20 21.577 6.484 12.053 1.00 0.00 C ATOM 335 O LEU A 20 22.399 7.394 11.899 1.00 0.00 O ATOM 336 CB LEU A 20 20.372 5.448 10.113 1.00 0.00 C ATOM 337 CG LEU A 20 20.257 4.347 9.051 1.00 0.00 C ATOM 338 CD1 LEU A 20 19.030 4.574 8.176 1.00 0.00 C ATOM 339 CD2 LEU A 20 21.522 4.285 8.202 1.00 0.00 C ATOM 0 H LEU A 20 20.548 3.510 11.630 1.00 0.00 H new ATOM 0 HA LEU A 20 22.471 5.255 10.544 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.440 5.484 10.678 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.476 6.408 9.608 1.00 0.00 H new ATOM 0 HG LEU A 20 20.142 3.390 9.559 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.965 3.783 7.429 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.134 4.562 8.796 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.113 5.539 7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.421 3.498 7.455 1.00 0.00 H new ATOM 0 HD22 LEU A 20 21.672 5.242 7.703 1.00 0.00 H new ATOM 0 HD23 LEU A 20 22.379 4.071 8.841 1.00 0.00 H new ATOM 351 N GLU A 21 20.697 6.460 13.050 1.00 0.00 N ATOM 352 CA GLU A 21 20.580 7.543 14.020 1.00 0.00 C ATOM 353 C GLU A 21 21.881 7.712 14.799 1.00 0.00 C ATOM 354 O GLU A 21 22.293 8.831 15.103 1.00 0.00 O ATOM 355 CB GLU A 21 19.406 7.259 14.966 1.00 0.00 C ATOM 356 CG GLU A 21 19.038 8.420 15.875 1.00 0.00 C ATOM 357 CD GLU A 21 17.698 8.215 16.560 1.00 0.00 C ATOM 358 OE1 GLU A 21 16.652 8.398 15.896 1.00 0.00 O ATOM 359 OE2 GLU A 21 17.677 7.871 17.760 1.00 0.00 O ATOM 0 H GLU A 21 20.046 5.690 13.208 1.00 0.00 H new ATOM 0 HA GLU A 21 20.388 8.477 13.492 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.533 6.988 14.372 1.00 0.00 H new ATOM 0 HB3 GLU A 21 19.653 6.395 15.582 1.00 0.00 H new ATOM 0 HG2 GLU A 21 19.814 8.547 16.630 1.00 0.00 H new ATOM 0 HG3 GLU A 21 19.008 9.340 15.291 1.00 0.00 H new ATOM 366 N SER A 22 22.535 6.599 15.097 1.00 0.00 N ATOM 367 CA SER A 22 23.800 6.631 15.812 1.00 0.00 C ATOM 368 C SER A 22 24.966 6.823 14.840 1.00 0.00 C ATOM 369 O SER A 22 26.028 7.311 15.219 1.00 0.00 O ATOM 370 CB SER A 22 23.983 5.338 16.606 1.00 0.00 C ATOM 371 OG SER A 22 22.835 5.065 17.390 1.00 0.00 O ATOM 0 H SER A 22 22.210 5.663 14.854 1.00 0.00 H new ATOM 0 HA SER A 22 23.787 7.474 16.502 1.00 0.00 H new ATOM 0 HB2 SER A 22 24.168 4.509 15.923 1.00 0.00 H new ATOM 0 HB3 SER A 22 24.858 5.422 17.250 1.00 0.00 H new ATOM 0 HG SER A 22 22.152 4.636 16.832 1.00 0.00 H new ATOM 377 N GLN A 23 24.744 6.445 13.586 1.00 0.00 N ATOM 378 CA GLN A 23 25.756 6.540 12.538 1.00 0.00 C ATOM 379 C GLN A 23 26.216 7.978 12.358 1.00 0.00 C ATOM 380 O GLN A 23 27.407 8.241 12.185 1.00 0.00 O ATOM 381 CB GLN A 23 25.192 6.002 11.221 1.00 0.00 C ATOM 382 CG GLN A 23 26.136 6.135 10.039 1.00 0.00 C ATOM 383 CD GLN A 23 25.479 5.742 8.732 1.00 0.00 C ATOM 384 OE1 GLN A 23 24.896 6.576 8.037 1.00 0.00 O ATOM 385 NE2 GLN A 23 25.565 4.469 8.387 1.00 0.00 N ATOM 0 H GLN A 23 23.854 6.063 13.266 1.00 0.00 H new ATOM 0 HA GLN A 23 26.617 5.940 12.834 1.00 0.00 H new ATOM 0 HB2 GLN A 23 24.936 4.950 11.351 1.00 0.00 H new ATOM 0 HB3 GLN A 23 24.266 6.529 10.993 1.00 0.00 H new ATOM 0 HG2 GLN A 23 26.487 7.165 9.971 1.00 0.00 H new ATOM 0 HG3 GLN A 23 27.013 5.509 10.205 1.00 0.00 H new ATOM 0 HE21 GLN A 23 26.057 3.809 8.990 1.00 0.00 H new ATOM 0 HE22 GLN A 23 25.140 4.146 7.518 1.00 0.00 H new ATOM 394 N GLY A 24 25.262 8.898 12.396 1.00 0.00 N ATOM 395 CA GLY A 24 25.587 10.309 12.304 1.00 0.00 C ATOM 396 C GLY A 24 26.498 10.767 13.430 1.00 0.00 C ATOM 397 O GLY A 24 27.356 11.631 13.234 1.00 0.00 O ATOM 0 H GLY A 24 24.267 8.693 12.489 1.00 0.00 H new ATOM 0 HA2 GLY A 24 26.069 10.506 11.347 1.00 0.00 H new ATOM 0 HA3 GLY A 24 24.667 10.893 12.324 1.00 0.00 H new ATOM 401 N GLU A 25 26.325 10.167 14.601 1.00 0.00 N ATOM 402 CA GLU A 25 27.098 10.529 15.783 1.00 0.00 C ATOM 403 C GLU A 25 28.448 9.820 15.799 1.00 0.00 C ATOM 404 O GLU A 25 29.471 10.421 16.134 1.00 0.00 O ATOM 405 CB GLU A 25 26.314 10.169 17.045 1.00 0.00 C ATOM 406 CG GLU A 25 25.019 10.948 17.204 1.00 0.00 C ATOM 407 CD GLU A 25 25.263 12.429 17.402 1.00 0.00 C ATOM 408 OE1 GLU A 25 25.755 12.810 18.483 1.00 0.00 O ATOM 409 OE2 GLU A 25 24.976 13.217 16.478 1.00 0.00 O ATOM 0 H GLU A 25 25.649 9.420 14.758 1.00 0.00 H new ATOM 0 HA GLU A 25 27.277 11.604 15.754 1.00 0.00 H new ATOM 0 HB2 GLU A 25 26.087 9.103 17.029 1.00 0.00 H new ATOM 0 HB3 GLU A 25 26.944 10.347 17.916 1.00 0.00 H new ATOM 0 HG2 GLU A 25 24.397 10.799 16.322 1.00 0.00 H new ATOM 0 HG3 GLU A 25 24.463 10.556 18.056 1.00 0.00 H new ATOM 416 N TYR A 26 28.442 8.541 15.438 1.00 0.00 N ATOM 417 CA TYR A 26 29.651 7.723 15.469 1.00 0.00 C ATOM 418 C TYR A 26 30.692 8.184 14.457 1.00 0.00 C ATOM 419 O TYR A 26 30.398 8.920 13.515 1.00 0.00 O ATOM 420 CB TYR A 26 29.322 6.250 15.216 1.00 0.00 C ATOM 421 CG TYR A 26 28.950 5.470 16.459 1.00 0.00 C ATOM 422 CD1 TYR A 26 29.914 5.138 17.404 1.00 0.00 C ATOM 423 CD2 TYR A 26 27.649 5.035 16.672 1.00 0.00 C ATOM 424 CE1 TYR A 26 29.590 4.405 18.528 1.00 0.00 C ATOM 425 CE2 TYR A 26 27.315 4.305 17.798 1.00 0.00 C ATOM 426 CZ TYR A 26 28.291 3.988 18.719 1.00 0.00 C ATOM 427 OH TYR A 26 27.968 3.246 19.833 1.00 0.00 O ATOM 0 H TYR A 26 27.609 8.046 15.119 1.00 0.00 H new ATOM 0 HA TYR A 26 30.073 7.840 16.467 1.00 0.00 H new ATOM 0 HB2 TYR A 26 28.498 6.191 14.505 1.00 0.00 H new ATOM 0 HB3 TYR A 26 30.183 5.773 14.747 1.00 0.00 H new ATOM 0 HD1 TYR A 26 30.934 5.459 17.256 1.00 0.00 H new ATOM 0 HD2 TYR A 26 26.885 5.271 15.946 1.00 0.00 H new ATOM 0 HE1 TYR A 26 30.351 4.160 19.254 1.00 0.00 H new ATOM 0 HE2 TYR A 26 26.296 3.985 17.955 1.00 0.00 H new ATOM 0 HH TYR A 26 27.845 2.308 19.577 1.00 0.00 H new ATOM 437 N ASP A 27 31.917 7.731 14.670 1.00 0.00 N ATOM 438 CA ASP A 27 33.036 8.044 13.795 1.00 0.00 C ATOM 439 C ASP A 27 32.969 7.264 12.489 1.00 0.00 C ATOM 440 O ASP A 27 33.250 7.800 11.415 1.00 0.00 O ATOM 441 CB ASP A 27 34.346 7.735 14.524 1.00 0.00 C ATOM 442 CG ASP A 27 35.503 7.449 13.585 1.00 0.00 C ATOM 443 OD1 ASP A 27 36.107 8.406 13.059 1.00 0.00 O ATOM 444 OD2 ASP A 27 35.821 6.257 13.388 1.00 0.00 O ATOM 0 H ASP A 27 32.165 7.133 15.458 1.00 0.00 H new ATOM 0 HA ASP A 27 32.988 9.104 13.544 1.00 0.00 H new ATOM 0 HB2 ASP A 27 34.606 8.579 15.163 1.00 0.00 H new ATOM 0 HB3 ASP A 27 34.196 6.875 15.177 1.00 0.00 H new ATOM 449 N SER A 28 32.579 6.002 12.575 1.00 0.00 N ATOM 450 CA SER A 28 32.619 5.125 11.420 1.00 0.00 C ATOM 451 C SER A 28 31.435 4.160 11.396 1.00 0.00 C ATOM 452 O SER A 28 30.755 3.963 12.410 1.00 0.00 O ATOM 453 CB SER A 28 33.944 4.360 11.409 1.00 0.00 C ATOM 454 OG SER A 28 34.336 3.994 12.726 1.00 0.00 O ATOM 0 H SER A 28 32.233 5.565 13.429 1.00 0.00 H new ATOM 0 HA SER A 28 32.545 5.738 10.521 1.00 0.00 H new ATOM 0 HB2 SER A 28 33.846 3.465 10.794 1.00 0.00 H new ATOM 0 HB3 SER A 28 34.719 4.976 10.954 1.00 0.00 H new ATOM 0 HG SER A 28 34.885 4.707 13.114 1.00 0.00 H new ATOM 460 N GLN A 29 31.206 3.568 10.224 1.00 0.00 N ATOM 461 CA GLN A 29 30.116 2.622 10.010 1.00 0.00 C ATOM 462 C GLN A 29 30.245 1.421 10.943 1.00 0.00 C ATOM 463 O GLN A 29 29.310 1.082 11.670 1.00 0.00 O ATOM 464 CB GLN A 29 30.125 2.141 8.553 1.00 0.00 C ATOM 465 CG GLN A 29 29.002 1.172 8.221 1.00 0.00 C ATOM 466 CD GLN A 29 27.657 1.855 8.094 1.00 0.00 C ATOM 467 OE1 GLN A 29 26.933 2.021 9.076 1.00 0.00 O ATOM 468 NE2 GLN A 29 27.308 2.245 6.877 1.00 0.00 N ATOM 0 H GLN A 29 31.775 3.733 9.394 1.00 0.00 H new ATOM 0 HA GLN A 29 29.176 3.130 10.225 1.00 0.00 H new ATOM 0 HB2 GLN A 29 30.053 3.006 7.894 1.00 0.00 H new ATOM 0 HB3 GLN A 29 31.081 1.660 8.345 1.00 0.00 H new ATOM 0 HG2 GLN A 29 29.234 0.660 7.287 1.00 0.00 H new ATOM 0 HG3 GLN A 29 28.945 0.409 8.997 1.00 0.00 H new ATOM 0 HE21 GLN A 29 27.938 2.088 6.091 1.00 0.00 H new ATOM 0 HE22 GLN A 29 26.409 2.702 6.726 1.00 0.00 H new ATOM 477 N TRP A 30 31.416 0.793 10.933 1.00 0.00 N ATOM 478 CA TRP A 30 31.641 -0.424 11.702 1.00 0.00 C ATOM 479 C TRP A 30 31.502 -0.163 13.198 1.00 0.00 C ATOM 480 O TRP A 30 30.970 -0.998 13.932 1.00 0.00 O ATOM 481 CB TRP A 30 33.021 -1.005 11.389 1.00 0.00 C ATOM 482 CG TRP A 30 33.297 -2.300 12.091 1.00 0.00 C ATOM 483 CD1 TRP A 30 34.322 -2.561 12.952 1.00 0.00 C ATOM 484 CD2 TRP A 30 32.526 -3.506 12.008 1.00 0.00 C ATOM 485 NE1 TRP A 30 34.241 -3.855 13.404 1.00 0.00 N ATOM 486 CE2 TRP A 30 33.149 -4.455 12.839 1.00 0.00 C ATOM 487 CE3 TRP A 30 31.374 -3.876 11.308 1.00 0.00 C ATOM 488 CZ2 TRP A 30 32.656 -5.748 12.993 1.00 0.00 C ATOM 489 CZ3 TRP A 30 30.886 -5.160 11.462 1.00 0.00 C ATOM 490 CH2 TRP A 30 31.528 -6.082 12.298 1.00 0.00 C ATOM 0 H TRP A 30 32.226 1.108 10.399 1.00 0.00 H new ATOM 0 HA TRP A 30 30.880 -1.150 11.414 1.00 0.00 H new ATOM 0 HB2 TRP A 30 33.106 -1.158 10.313 1.00 0.00 H new ATOM 0 HB3 TRP A 30 33.784 -0.279 11.669 1.00 0.00 H new ATOM 0 HD1 TRP A 30 35.086 -1.853 13.237 1.00 0.00 H new ATOM 0 HE1 TRP A 30 34.890 -4.297 14.055 1.00 0.00 H new ATOM 0 HE3 TRP A 30 30.875 -3.172 10.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 33.147 -6.461 13.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 29.995 -5.457 10.929 1.00 0.00 H new ATOM 0 HH2 TRP A 30 31.123 -7.078 12.395 1.00 0.00 H new ATOM 501 N ALA A 31 31.955 1.009 13.638 1.00 0.00 N ATOM 502 CA ALA A 31 31.872 1.387 15.045 1.00 0.00 C ATOM 503 C ALA A 31 30.419 1.461 15.507 1.00 0.00 C ATOM 504 O ALA A 31 30.120 1.290 16.689 1.00 0.00 O ATOM 505 CB ALA A 31 32.570 2.717 15.277 1.00 0.00 C ATOM 0 H ALA A 31 32.384 1.714 13.038 1.00 0.00 H new ATOM 0 HA ALA A 31 32.375 0.619 15.633 1.00 0.00 H new ATOM 0 HB1 ALA A 31 32.500 2.986 16.331 1.00 0.00 H new ATOM 0 HB2 ALA A 31 33.619 2.632 14.993 1.00 0.00 H new ATOM 0 HB3 ALA A 31 32.093 3.489 14.673 1.00 0.00 H new ATOM 511 N THR A 32 29.522 1.704 14.564 1.00 0.00 N ATOM 512 CA THR A 32 28.103 1.779 14.864 1.00 0.00 C ATOM 513 C THR A 32 27.496 0.376 14.953 1.00 0.00 C ATOM 514 O THR A 32 26.750 0.064 15.882 1.00 0.00 O ATOM 515 CB THR A 32 27.363 2.593 13.782 1.00 0.00 C ATOM 516 OG1 THR A 32 28.041 3.841 13.562 1.00 0.00 O ATOM 517 CG2 THR A 32 25.924 2.860 14.192 1.00 0.00 C ATOM 0 H THR A 32 29.754 1.853 13.582 1.00 0.00 H new ATOM 0 HA THR A 32 27.989 2.278 15.826 1.00 0.00 H new ATOM 0 HB THR A 32 27.358 2.011 12.860 1.00 0.00 H new ATOM 0 HG1 THR A 32 28.891 3.675 13.104 1.00 0.00 H new ATOM 0 HG21 THR A 32 25.424 3.435 13.413 1.00 0.00 H new ATOM 0 HG22 THR A 32 25.404 1.912 14.333 1.00 0.00 H new ATOM 0 HG23 THR A 32 25.910 3.424 15.125 1.00 0.00 H new ATOM 525 N ILE A 33 27.851 -0.472 13.997 1.00 0.00 N ATOM 526 CA ILE A 33 27.292 -1.815 13.908 1.00 0.00 C ATOM 527 C ILE A 33 27.719 -2.688 15.088 1.00 0.00 C ATOM 528 O ILE A 33 26.887 -3.340 15.719 1.00 0.00 O ATOM 529 CB ILE A 33 27.708 -2.502 12.586 1.00 0.00 C ATOM 530 CG1 ILE A 33 27.199 -1.698 11.387 1.00 0.00 C ATOM 531 CG2 ILE A 33 27.180 -3.931 12.533 1.00 0.00 C ATOM 532 CD1 ILE A 33 27.637 -2.258 10.048 1.00 0.00 C ATOM 0 H ILE A 33 28.529 -0.252 13.267 1.00 0.00 H new ATOM 0 HA ILE A 33 26.208 -1.706 13.933 1.00 0.00 H new ATOM 0 HB ILE A 33 28.797 -2.539 12.544 1.00 0.00 H new ATOM 0 HG12 ILE A 33 26.110 -1.665 11.419 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.551 -0.670 11.474 1.00 0.00 H new ATOM 0 HG21 ILE A 33 27.484 -4.396 11.595 1.00 0.00 H new ATOM 0 HG22 ILE A 33 27.586 -4.500 13.369 1.00 0.00 H new ATOM 0 HG23 ILE A 33 26.092 -3.919 12.597 1.00 0.00 H new ATOM 0 HD11 ILE A 33 27.239 -1.637 9.246 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.726 -2.265 9.995 1.00 0.00 H new ATOM 0 HD13 ILE A 33 27.262 -3.276 9.939 1.00 0.00 H new ATOM 544 N CYS A 34 29.009 -2.676 15.402 1.00 0.00 N ATOM 545 CA CYS A 34 29.560 -3.595 16.395 1.00 0.00 C ATOM 546 C CYS A 34 29.100 -3.269 17.816 1.00 0.00 C ATOM 547 O CYS A 34 29.189 -4.116 18.702 1.00 0.00 O ATOM 548 CB CYS A 34 31.088 -3.599 16.327 1.00 0.00 C ATOM 549 SG CYS A 34 31.845 -1.973 16.535 1.00 0.00 S ATOM 0 H CYS A 34 29.692 -2.043 14.986 1.00 0.00 H new ATOM 0 HA CYS A 34 29.181 -4.588 16.152 1.00 0.00 H new ATOM 0 HB2 CYS A 34 31.473 -4.267 17.098 1.00 0.00 H new ATOM 0 HB3 CYS A 34 31.396 -4.010 15.366 1.00 0.00 H new ATOM 0 HG CYS A 34 31.789 -1.321 15.412 1.00 0.00 H new ATOM 555 N SER A 35 28.610 -2.057 18.041 1.00 0.00 N ATOM 556 CA SER A 35 28.188 -1.654 19.374 1.00 0.00 C ATOM 557 C SER A 35 26.691 -1.897 19.588 1.00 0.00 C ATOM 558 O SER A 35 26.259 -2.230 20.692 1.00 0.00 O ATOM 559 CB SER A 35 28.541 -0.182 19.610 1.00 0.00 C ATOM 560 OG SER A 35 28.152 0.622 18.505 1.00 0.00 O ATOM 0 H SER A 35 28.496 -1.341 17.323 1.00 0.00 H new ATOM 0 HA SER A 35 28.721 -2.267 20.100 1.00 0.00 H new ATOM 0 HB2 SER A 35 28.046 0.173 20.514 1.00 0.00 H new ATOM 0 HB3 SER A 35 29.614 -0.084 19.775 1.00 0.00 H new ATOM 0 HG SER A 35 28.944 0.860 17.979 1.00 0.00 H new ATOM 566 N ILE A 36 25.910 -1.751 18.525 1.00 0.00 N ATOM 567 CA ILE A 36 24.463 -1.909 18.614 1.00 0.00 C ATOM 568 C ILE A 36 24.048 -3.379 18.520 1.00 0.00 C ATOM 569 O ILE A 36 23.108 -3.809 19.191 1.00 0.00 O ATOM 570 CB ILE A 36 23.747 -1.091 17.515 1.00 0.00 C ATOM 571 CG1 ILE A 36 24.061 0.399 17.685 1.00 0.00 C ATOM 572 CG2 ILE A 36 22.243 -1.327 17.553 1.00 0.00 C ATOM 573 CD1 ILE A 36 23.452 1.279 16.612 1.00 0.00 C ATOM 0 H ILE A 36 26.253 -1.524 17.592 1.00 0.00 H new ATOM 0 HA ILE A 36 24.161 -1.530 19.590 1.00 0.00 H new ATOM 0 HB ILE A 36 24.114 -1.422 16.543 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.700 0.728 18.660 1.00 0.00 H new ATOM 0 HG13 ILE A 36 25.142 0.535 17.683 1.00 0.00 H new ATOM 0 HG21 ILE A 36 21.763 -0.740 16.770 1.00 0.00 H new ATOM 0 HG22 ILE A 36 22.037 -2.385 17.392 1.00 0.00 H new ATOM 0 HG23 ILE A 36 21.852 -1.025 18.524 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.718 2.319 16.800 1.00 0.00 H new ATOM 0 HD12 ILE A 36 23.832 0.978 15.636 1.00 0.00 H new ATOM 0 HD13 ILE A 36 22.367 1.174 16.627 1.00 0.00 H new ATOM 585 N ALA A 37 24.770 -4.147 17.709 1.00 0.00 N ATOM 586 CA ALA A 37 24.431 -5.551 17.457 1.00 0.00 C ATOM 587 C ALA A 37 24.257 -6.373 18.748 1.00 0.00 C ATOM 588 O ALA A 37 23.210 -7.000 18.932 1.00 0.00 O ATOM 589 CB ALA A 37 25.471 -6.194 16.550 1.00 0.00 C ATOM 0 H ALA A 37 25.599 -3.822 17.211 1.00 0.00 H new ATOM 0 HA ALA A 37 23.463 -5.553 16.956 1.00 0.00 H new ATOM 0 HB1 ALA A 37 25.205 -7.236 16.373 1.00 0.00 H new ATOM 0 HB2 ALA A 37 25.504 -5.661 15.600 1.00 0.00 H new ATOM 0 HB3 ALA A 37 26.450 -6.146 17.027 1.00 0.00 H new ATOM 595 N PRO A 38 25.250 -6.386 19.669 1.00 0.00 N ATOM 596 CA PRO A 38 25.150 -7.168 20.910 1.00 0.00 C ATOM 597 C PRO A 38 24.013 -6.685 21.803 1.00 0.00 C ATOM 598 O PRO A 38 23.499 -7.433 22.632 1.00 0.00 O ATOM 599 CB PRO A 38 26.501 -6.945 21.599 1.00 0.00 C ATOM 600 CG PRO A 38 27.019 -5.680 21.014 1.00 0.00 C ATOM 601 CD PRO A 38 26.534 -5.663 19.593 1.00 0.00 C ATOM 0 HA PRO A 38 24.935 -8.217 20.708 1.00 0.00 H new ATOM 0 HB2 PRO A 38 26.386 -6.863 22.680 1.00 0.00 H new ATOM 0 HB3 PRO A 38 27.182 -7.775 21.413 1.00 0.00 H new ATOM 0 HG2 PRO A 38 26.651 -4.814 21.564 1.00 0.00 H new ATOM 0 HG3 PRO A 38 28.108 -5.645 21.057 1.00 0.00 H new ATOM 0 HD2 PRO A 38 26.403 -4.646 19.224 1.00 0.00 H new ATOM 0 HD3 PRO A 38 27.236 -6.157 18.922 1.00 0.00 H new ATOM 609 N LYS A 39 23.611 -5.437 21.611 1.00 0.00 N ATOM 610 CA LYS A 39 22.539 -4.850 22.397 1.00 0.00 C ATOM 611 C LYS A 39 21.185 -5.325 21.879 1.00 0.00 C ATOM 612 O LYS A 39 20.181 -5.282 22.591 1.00 0.00 O ATOM 613 CB LYS A 39 22.638 -3.322 22.353 1.00 0.00 C ATOM 614 CG LYS A 39 21.681 -2.609 23.293 1.00 0.00 C ATOM 615 CD LYS A 39 21.973 -1.118 23.341 1.00 0.00 C ATOM 616 CE LYS A 39 21.094 -0.409 24.355 1.00 0.00 C ATOM 617 NZ LYS A 39 21.487 1.014 24.519 1.00 0.00 N ATOM 0 H LYS A 39 24.014 -4.810 20.914 1.00 0.00 H new ATOM 0 HA LYS A 39 22.636 -5.172 23.434 1.00 0.00 H new ATOM 0 HB2 LYS A 39 23.658 -3.028 22.599 1.00 0.00 H new ATOM 0 HB3 LYS A 39 22.447 -2.986 21.334 1.00 0.00 H new ATOM 0 HG2 LYS A 39 20.654 -2.772 22.964 1.00 0.00 H new ATOM 0 HG3 LYS A 39 21.766 -3.032 24.294 1.00 0.00 H new ATOM 0 HD2 LYS A 39 23.021 -0.960 23.594 1.00 0.00 H new ATOM 0 HD3 LYS A 39 21.814 -0.684 22.354 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.053 -0.465 24.037 1.00 0.00 H new ATOM 0 HE3 LYS A 39 21.162 -0.919 25.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.866 1.467 25.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 22.473 1.066 24.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 21.398 1.506 23.607 1.00 0.00 H new ATOM 631 N ILE A 40 21.167 -5.785 20.635 1.00 0.00 N ATOM 632 CA ILE A 40 19.966 -6.358 20.044 1.00 0.00 C ATOM 633 C ILE A 40 19.825 -7.813 20.472 1.00 0.00 C ATOM 634 O ILE A 40 18.729 -8.290 20.773 1.00 0.00 O ATOM 635 CB ILE A 40 20.007 -6.289 18.502 1.00 0.00 C ATOM 636 CG1 ILE A 40 20.260 -4.855 18.038 1.00 0.00 C ATOM 637 CG2 ILE A 40 18.711 -6.823 17.906 1.00 0.00 C ATOM 638 CD1 ILE A 40 20.520 -4.740 16.551 1.00 0.00 C ATOM 0 H ILE A 40 21.975 -5.772 20.013 1.00 0.00 H new ATOM 0 HA ILE A 40 19.113 -5.777 20.394 1.00 0.00 H new ATOM 0 HB ILE A 40 20.828 -6.915 18.152 1.00 0.00 H new ATOM 0 HG12 ILE A 40 19.398 -4.240 18.297 1.00 0.00 H new ATOM 0 HG13 ILE A 40 21.115 -4.451 18.581 1.00 0.00 H new ATOM 0 HG21 ILE A 40 18.760 -6.766 16.819 1.00 0.00 H new ATOM 0 HG22 ILE A 40 18.572 -7.861 18.209 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.873 -6.225 18.263 1.00 0.00 H new ATOM 0 HD11 ILE A 40 20.691 -3.695 16.291 1.00 0.00 H new ATOM 0 HD12 ILE A 40 21.400 -5.328 16.289 1.00 0.00 H new ATOM 0 HD13 ILE A 40 19.657 -5.114 16.001 1.00 0.00 H new ATOM 650 N GLY A 41 20.951 -8.509 20.501 1.00 0.00 N ATOM 651 CA GLY A 41 20.954 -9.902 20.897 1.00 0.00 C ATOM 652 C GLY A 41 21.545 -10.795 19.832 1.00 0.00 C ATOM 653 O GLY A 41 21.796 -11.976 20.069 1.00 0.00 O ATOM 0 H GLY A 41 21.867 -8.132 20.256 1.00 0.00 H new ATOM 0 HA2 GLY A 41 21.523 -10.015 21.820 1.00 0.00 H new ATOM 0 HA3 GLY A 41 19.933 -10.220 21.110 1.00 0.00 H new ATOM 657 N CYS A 42 21.769 -10.229 18.659 1.00 0.00 N ATOM 658 CA CYS A 42 22.339 -10.971 17.550 1.00 0.00 C ATOM 659 C CYS A 42 23.790 -10.561 17.318 1.00 0.00 C ATOM 660 O CYS A 42 24.338 -9.739 18.054 1.00 0.00 O ATOM 661 CB CYS A 42 21.514 -10.732 16.287 1.00 0.00 C ATOM 662 SG CYS A 42 21.339 -8.986 15.842 1.00 0.00 S ATOM 0 H CYS A 42 21.563 -9.252 18.450 1.00 0.00 H new ATOM 0 HA CYS A 42 22.318 -12.033 17.793 1.00 0.00 H new ATOM 0 HB2 CYS A 42 21.978 -11.263 15.456 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.522 -11.162 16.426 1.00 0.00 H new ATOM 0 HG CYS A 42 20.627 -8.883 14.759 1.00 0.00 H new ATOM 668 N THR A 43 24.409 -11.132 16.299 1.00 0.00 N ATOM 669 CA THR A 43 25.778 -10.785 15.961 1.00 0.00 C ATOM 670 C THR A 43 25.817 -9.640 14.946 1.00 0.00 C ATOM 671 O THR A 43 24.804 -9.341 14.302 1.00 0.00 O ATOM 672 CB THR A 43 26.534 -12.007 15.405 1.00 0.00 C ATOM 673 OG1 THR A 43 25.709 -12.708 14.465 1.00 0.00 O ATOM 674 CG2 THR A 43 26.948 -12.941 16.534 1.00 0.00 C ATOM 0 H THR A 43 23.987 -11.836 15.693 1.00 0.00 H new ATOM 0 HA THR A 43 26.271 -10.457 16.876 1.00 0.00 H new ATOM 0 HB THR A 43 27.434 -11.657 14.899 1.00 0.00 H new ATOM 0 HG1 THR A 43 26.197 -13.482 14.115 1.00 0.00 H new ATOM 0 HG21 THR A 43 27.480 -13.798 16.121 1.00 0.00 H new ATOM 0 HG22 THR A 43 27.600 -12.408 17.226 1.00 0.00 H new ATOM 0 HG23 THR A 43 26.061 -13.287 17.064 1.00 0.00 H new ATOM 682 N PRO A 44 26.979 -8.968 14.804 1.00 0.00 N ATOM 683 CA PRO A 44 27.147 -7.862 13.853 1.00 0.00 C ATOM 684 C PRO A 44 26.801 -8.268 12.426 1.00 0.00 C ATOM 685 O PRO A 44 26.312 -7.452 11.645 1.00 0.00 O ATOM 686 CB PRO A 44 28.633 -7.512 13.961 1.00 0.00 C ATOM 687 CG PRO A 44 29.048 -8.002 15.303 1.00 0.00 C ATOM 688 CD PRO A 44 28.213 -9.224 15.570 1.00 0.00 C ATOM 0 HA PRO A 44 26.484 -7.028 14.083 1.00 0.00 H new ATOM 0 HB2 PRO A 44 29.210 -7.992 13.170 1.00 0.00 H new ATOM 0 HB3 PRO A 44 28.793 -6.438 13.866 1.00 0.00 H new ATOM 0 HG2 PRO A 44 30.111 -8.244 15.320 1.00 0.00 H new ATOM 0 HG3 PRO A 44 28.882 -7.241 16.066 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.713 -10.133 15.235 1.00 0.00 H new ATOM 0 HD3 PRO A 44 28.008 -9.346 16.634 1.00 0.00 H new ATOM 696 N GLU A 45 27.061 -9.532 12.101 1.00 0.00 N ATOM 697 CA GLU A 45 26.763 -10.088 10.780 1.00 0.00 C ATOM 698 C GLU A 45 25.325 -9.779 10.368 1.00 0.00 C ATOM 699 O GLU A 45 25.080 -9.245 9.285 1.00 0.00 O ATOM 700 CB GLU A 45 26.978 -11.604 10.799 1.00 0.00 C ATOM 701 CG GLU A 45 26.763 -12.286 9.455 1.00 0.00 C ATOM 702 CD GLU A 45 27.796 -11.883 8.427 1.00 0.00 C ATOM 703 OE1 GLU A 45 28.978 -12.246 8.597 1.00 0.00 O ATOM 704 OE2 GLU A 45 27.432 -11.216 7.439 1.00 0.00 O ATOM 0 H GLU A 45 27.484 -10.201 12.744 1.00 0.00 H new ATOM 0 HA GLU A 45 27.435 -9.629 10.055 1.00 0.00 H new ATOM 0 HB2 GLU A 45 27.993 -11.811 11.140 1.00 0.00 H new ATOM 0 HB3 GLU A 45 26.300 -12.046 11.530 1.00 0.00 H new ATOM 0 HG2 GLU A 45 26.794 -13.367 9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 45 25.769 -12.040 9.082 1.00 0.00 H new ATOM 711 N THR A 46 24.388 -10.096 11.252 1.00 0.00 N ATOM 712 CA THR A 46 22.972 -9.898 10.985 1.00 0.00 C ATOM 713 C THR A 46 22.657 -8.421 10.749 1.00 0.00 C ATOM 714 O THR A 46 21.924 -8.070 9.821 1.00 0.00 O ATOM 715 CB THR A 46 22.129 -10.417 12.165 1.00 0.00 C ATOM 716 OG1 THR A 46 22.685 -11.650 12.649 1.00 0.00 O ATOM 717 CG2 THR A 46 20.687 -10.645 11.743 1.00 0.00 C ATOM 0 H THR A 46 24.588 -10.495 12.169 1.00 0.00 H new ATOM 0 HA THR A 46 22.722 -10.457 10.083 1.00 0.00 H new ATOM 0 HB THR A 46 22.145 -9.666 12.955 1.00 0.00 H new ATOM 0 HG1 THR A 46 22.149 -11.978 13.401 1.00 0.00 H new ATOM 0 HG21 THR A 46 20.112 -11.011 12.594 1.00 0.00 H new ATOM 0 HG22 THR A 46 20.258 -9.706 11.392 1.00 0.00 H new ATOM 0 HG23 THR A 46 20.655 -11.381 10.940 1.00 0.00 H new ATOM 725 N LEU A 47 23.240 -7.561 11.572 1.00 0.00 N ATOM 726 CA LEU A 47 22.968 -6.134 11.506 1.00 0.00 C ATOM 727 C LEU A 47 23.544 -5.528 10.227 1.00 0.00 C ATOM 728 O LEU A 47 22.936 -4.642 9.627 1.00 0.00 O ATOM 729 CB LEU A 47 23.533 -5.428 12.741 1.00 0.00 C ATOM 730 CG LEU A 47 23.146 -3.956 12.884 1.00 0.00 C ATOM 731 CD1 LEU A 47 21.633 -3.805 12.957 1.00 0.00 C ATOM 732 CD2 LEU A 47 23.799 -3.352 14.117 1.00 0.00 C ATOM 0 H LEU A 47 23.907 -7.829 12.296 1.00 0.00 H new ATOM 0 HA LEU A 47 21.888 -5.991 11.488 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.199 -5.963 13.630 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.620 -5.500 12.715 1.00 0.00 H new ATOM 0 HG LEU A 47 23.504 -3.420 12.005 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.377 -2.750 13.059 1.00 0.00 H new ATOM 0 HD12 LEU A 47 21.183 -4.201 12.047 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.254 -4.355 13.818 1.00 0.00 H new ATOM 0 HD21 LEU A 47 23.513 -2.304 14.204 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.470 -3.892 15.005 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.883 -3.426 14.028 1.00 0.00 H new ATOM 744 N ARG A 48 24.714 -6.019 9.811 1.00 0.00 N ATOM 745 CA ARG A 48 25.341 -5.574 8.564 1.00 0.00 C ATOM 746 C ARG A 48 24.383 -5.750 7.389 1.00 0.00 C ATOM 747 O ARG A 48 24.277 -4.880 6.522 1.00 0.00 O ATOM 748 CB ARG A 48 26.628 -6.358 8.292 1.00 0.00 C ATOM 749 CG ARG A 48 27.732 -6.111 9.309 1.00 0.00 C ATOM 750 CD ARG A 48 28.888 -7.092 9.144 1.00 0.00 C ATOM 751 NE ARG A 48 29.611 -6.902 7.889 1.00 0.00 N ATOM 752 CZ ARG A 48 29.499 -7.704 6.832 1.00 0.00 C ATOM 753 NH1 ARG A 48 28.699 -8.762 6.872 1.00 0.00 N ATOM 754 NH2 ARG A 48 30.200 -7.455 5.739 1.00 0.00 N ATOM 0 H ARG A 48 25.246 -6.725 10.320 1.00 0.00 H new ATOM 0 HA ARG A 48 25.585 -4.517 8.673 1.00 0.00 H new ATOM 0 HB2 ARG A 48 26.396 -7.423 8.275 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.997 -6.097 7.300 1.00 0.00 H new ATOM 0 HG2 ARG A 48 28.103 -5.092 9.202 1.00 0.00 H new ATOM 0 HG3 ARG A 48 27.324 -6.197 10.316 1.00 0.00 H new ATOM 0 HD2 ARG A 48 29.580 -6.977 9.979 1.00 0.00 H new ATOM 0 HD3 ARG A 48 28.504 -8.111 9.187 1.00 0.00 H new ATOM 0 HE ARG A 48 30.242 -6.104 7.818 1.00 0.00 H new ATOM 0 HH11 ARG A 48 28.165 -8.966 7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 48 28.619 -9.372 6.058 1.00 0.00 H new ATOM 0 HH21 ARG A 48 30.825 -6.650 5.707 1.00 0.00 H new ATOM 0 HH22 ARG A 48 30.116 -8.068 4.928 1.00 0.00 H new ATOM 768 N VAL A 49 23.684 -6.881 7.379 1.00 0.00 N ATOM 769 CA VAL A 49 22.728 -7.192 6.324 1.00 0.00 C ATOM 770 C VAL A 49 21.552 -6.224 6.354 1.00 0.00 C ATOM 771 O VAL A 49 21.175 -5.661 5.327 1.00 0.00 O ATOM 772 CB VAL A 49 22.196 -8.636 6.445 1.00 0.00 C ATOM 773 CG1 VAL A 49 21.249 -8.966 5.301 1.00 0.00 C ATOM 774 CG2 VAL A 49 23.342 -9.630 6.489 1.00 0.00 C ATOM 0 H VAL A 49 23.764 -7.602 8.096 1.00 0.00 H new ATOM 0 HA VAL A 49 23.259 -7.092 5.377 1.00 0.00 H new ATOM 0 HB VAL A 49 21.640 -8.710 7.379 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.889 -9.989 5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.403 -8.279 5.320 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.776 -8.866 4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 49 22.944 -10.641 6.574 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.930 -9.548 5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 49 23.976 -9.416 7.349 1.00 0.00 H new ATOM 784 N TRP A 50 20.989 -6.028 7.545 1.00 0.00 N ATOM 785 CA TRP A 50 19.822 -5.162 7.720 1.00 0.00 C ATOM 786 C TRP A 50 20.107 -3.746 7.224 1.00 0.00 C ATOM 787 O TRP A 50 19.311 -3.162 6.484 1.00 0.00 O ATOM 788 CB TRP A 50 19.394 -5.116 9.192 1.00 0.00 C ATOM 789 CG TRP A 50 18.918 -6.433 9.735 1.00 0.00 C ATOM 790 CD1 TRP A 50 18.707 -7.587 9.036 1.00 0.00 C ATOM 791 CD2 TRP A 50 18.583 -6.723 11.098 1.00 0.00 C ATOM 792 NE1 TRP A 50 18.276 -8.579 9.883 1.00 0.00 N ATOM 793 CE2 TRP A 50 18.189 -8.074 11.155 1.00 0.00 C ATOM 794 CE3 TRP A 50 18.586 -5.972 12.276 1.00 0.00 C ATOM 795 CZ2 TRP A 50 17.798 -8.684 12.346 1.00 0.00 C ATOM 796 CZ3 TRP A 50 18.197 -6.577 13.455 1.00 0.00 C ATOM 797 CH2 TRP A 50 17.810 -7.923 13.483 1.00 0.00 C ATOM 0 H TRP A 50 21.323 -6.459 8.407 1.00 0.00 H new ATOM 0 HA TRP A 50 19.010 -5.583 7.126 1.00 0.00 H new ATOM 0 HB2 TRP A 50 20.235 -4.770 9.793 1.00 0.00 H new ATOM 0 HB3 TRP A 50 18.598 -4.380 9.305 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.857 -7.703 7.973 1.00 0.00 H new ATOM 0 HE1 TRP A 50 18.056 -9.537 9.610 1.00 0.00 H new ATOM 0 HE3 TRP A 50 18.888 -4.935 12.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 17.496 -9.721 12.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 18.191 -6.003 14.370 1.00 0.00 H new ATOM 0 HH2 TRP A 50 17.515 -8.369 14.421 1.00 0.00 H new ATOM 808 N VAL A 51 21.251 -3.203 7.626 1.00 0.00 N ATOM 809 CA VAL A 51 21.636 -1.853 7.237 1.00 0.00 C ATOM 810 C VAL A 51 21.823 -1.751 5.725 1.00 0.00 C ATOM 811 O VAL A 51 21.305 -0.831 5.086 1.00 0.00 O ATOM 812 CB VAL A 51 22.937 -1.412 7.940 1.00 0.00 C ATOM 813 CG1 VAL A 51 23.328 0.000 7.522 1.00 0.00 C ATOM 814 CG2 VAL A 51 22.785 -1.507 9.451 1.00 0.00 C ATOM 0 H VAL A 51 21.928 -3.679 8.222 1.00 0.00 H new ATOM 0 HA VAL A 51 20.827 -1.191 7.546 1.00 0.00 H new ATOM 0 HB VAL A 51 23.737 -2.086 7.633 1.00 0.00 H new ATOM 0 HG11 VAL A 51 24.248 0.288 8.031 1.00 0.00 H new ATOM 0 HG12 VAL A 51 23.485 0.030 6.444 1.00 0.00 H new ATOM 0 HG13 VAL A 51 22.531 0.693 7.792 1.00 0.00 H new ATOM 0 HG21 VAL A 51 23.712 -1.192 9.930 1.00 0.00 H new ATOM 0 HG22 VAL A 51 21.970 -0.860 9.776 1.00 0.00 H new ATOM 0 HG23 VAL A 51 22.564 -2.537 9.730 1.00 0.00 H new ATOM 824 N ARG A 52 22.546 -2.711 5.157 1.00 0.00 N ATOM 825 CA ARG A 52 22.852 -2.697 3.731 1.00 0.00 C ATOM 826 C ARG A 52 21.579 -2.851 2.902 1.00 0.00 C ATOM 827 O ARG A 52 21.432 -2.225 1.856 1.00 0.00 O ATOM 828 CB ARG A 52 23.841 -3.809 3.380 1.00 0.00 C ATOM 829 CG ARG A 52 24.323 -3.757 1.938 1.00 0.00 C ATOM 830 CD ARG A 52 25.206 -4.943 1.599 1.00 0.00 C ATOM 831 NE ARG A 52 26.412 -4.987 2.414 1.00 0.00 N ATOM 832 CZ ARG A 52 27.477 -5.722 2.110 1.00 0.00 C ATOM 833 NH1 ARG A 52 27.501 -6.430 0.985 1.00 0.00 N ATOM 834 NH2 ARG A 52 28.524 -5.734 2.916 1.00 0.00 N ATOM 0 H ARG A 52 22.931 -3.509 5.663 1.00 0.00 H new ATOM 0 HA ARG A 52 23.307 -1.735 3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 52 24.702 -3.743 4.045 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.370 -4.775 3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 52 23.464 -3.739 1.267 1.00 0.00 H new ATOM 0 HG3 ARG A 52 24.876 -2.832 1.772 1.00 0.00 H new ATOM 0 HD2 ARG A 52 24.642 -5.865 1.740 1.00 0.00 H new ATOM 0 HD3 ARG A 52 25.484 -4.897 0.546 1.00 0.00 H new ATOM 0 HE ARG A 52 26.441 -4.424 3.264 1.00 0.00 H new ATOM 0 HH11 ARG A 52 26.701 -6.410 0.353 1.00 0.00 H new ATOM 0 HH12 ARG A 52 28.320 -6.993 0.754 1.00 0.00 H new ATOM 0 HH21 ARG A 52 28.515 -5.179 3.772 1.00 0.00 H new ATOM 0 HH22 ARG A 52 29.341 -6.298 2.682 1.00 0.00 H new ATOM 848 N GLN A 53 20.663 -3.683 3.380 1.00 0.00 N ATOM 849 CA GLN A 53 19.387 -3.891 2.706 1.00 0.00 C ATOM 850 C GLN A 53 18.635 -2.570 2.561 1.00 0.00 C ATOM 851 O GLN A 53 18.198 -2.205 1.469 1.00 0.00 O ATOM 852 CB GLN A 53 18.534 -4.888 3.495 1.00 0.00 C ATOM 853 CG GLN A 53 17.193 -5.196 2.844 1.00 0.00 C ATOM 854 CD GLN A 53 16.255 -5.927 3.782 1.00 0.00 C ATOM 855 OE1 GLN A 53 15.481 -5.305 4.510 1.00 0.00 O ATOM 856 NE2 GLN A 53 16.319 -7.248 3.786 1.00 0.00 N ATOM 0 H GLN A 53 20.780 -4.227 4.235 1.00 0.00 H new ATOM 0 HA GLN A 53 19.583 -4.293 1.712 1.00 0.00 H new ATOM 0 HB2 GLN A 53 19.092 -5.817 3.613 1.00 0.00 H new ATOM 0 HB3 GLN A 53 18.360 -4.492 4.495 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.727 -4.266 2.519 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.355 -5.800 1.951 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.973 -7.729 3.168 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.714 -7.786 4.407 1.00 0.00 H new ATOM 865 N HIS A 54 18.510 -1.847 3.669 1.00 0.00 N ATOM 866 CA HIS A 54 17.794 -0.578 3.682 1.00 0.00 C ATOM 867 C HIS A 54 18.545 0.457 2.847 1.00 0.00 C ATOM 868 O HIS A 54 17.935 1.302 2.196 1.00 0.00 O ATOM 869 CB HIS A 54 17.628 -0.084 5.124 1.00 0.00 C ATOM 870 CG HIS A 54 16.643 1.036 5.289 1.00 0.00 C ATOM 871 ND1 HIS A 54 15.339 0.835 5.685 1.00 0.00 N ATOM 872 CD2 HIS A 54 16.778 2.375 5.129 1.00 0.00 C ATOM 873 CE1 HIS A 54 14.717 1.997 5.758 1.00 0.00 C ATOM 874 NE2 HIS A 54 15.567 2.950 5.429 1.00 0.00 N ATOM 0 H HIS A 54 18.897 -2.120 4.572 1.00 0.00 H new ATOM 0 HA HIS A 54 16.805 -0.724 3.247 1.00 0.00 H new ATOM 0 HB2 HIS A 54 17.315 -0.921 5.748 1.00 0.00 H new ATOM 0 HB3 HIS A 54 18.598 0.245 5.496 1.00 0.00 H new ATOM 0 HD2 HIS A 54 17.674 2.895 4.822 1.00 0.00 H new ATOM 0 HE1 HIS A 54 13.685 2.143 6.040 1.00 0.00 H new ATOM 0 HE2 HIS A 54 15.360 3.948 5.402 1.00 0.00 H new ATOM 883 N GLU A 55 19.870 0.370 2.861 1.00 0.00 N ATOM 884 CA GLU A 55 20.715 1.289 2.108 1.00 0.00 C ATOM 885 C GLU A 55 20.580 1.045 0.604 1.00 0.00 C ATOM 886 O GLU A 55 20.621 1.982 -0.197 1.00 0.00 O ATOM 887 CB GLU A 55 22.172 1.126 2.557 1.00 0.00 C ATOM 888 CG GLU A 55 23.151 2.061 1.864 1.00 0.00 C ATOM 889 CD GLU A 55 24.552 1.955 2.435 1.00 0.00 C ATOM 890 OE1 GLU A 55 25.273 0.995 2.092 1.00 0.00 O ATOM 891 OE2 GLU A 55 24.936 2.827 3.246 1.00 0.00 O ATOM 0 H GLU A 55 20.385 -0.333 3.390 1.00 0.00 H new ATOM 0 HA GLU A 55 20.393 2.311 2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 55 22.229 1.293 3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 55 22.482 0.097 2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 55 23.177 1.831 0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.799 3.088 1.960 1.00 0.00 H new ATOM 898 N ARG A 56 20.404 -0.217 0.231 1.00 0.00 N ATOM 899 CA ARG A 56 20.287 -0.591 -1.174 1.00 0.00 C ATOM 900 C ARG A 56 18.877 -0.318 -1.700 1.00 0.00 C ATOM 901 O ARG A 56 18.681 -0.075 -2.892 1.00 0.00 O ATOM 902 CB ARG A 56 20.632 -2.073 -1.359 1.00 0.00 C ATOM 903 CG ARG A 56 20.838 -2.467 -2.810 1.00 0.00 C ATOM 904 CD ARG A 56 21.035 -3.967 -2.977 1.00 0.00 C ATOM 905 NE ARG A 56 22.080 -4.504 -2.102 1.00 0.00 N ATOM 906 CZ ARG A 56 23.387 -4.461 -2.362 1.00 0.00 C ATOM 907 NH1 ARG A 56 23.839 -3.858 -3.454 1.00 0.00 N ATOM 908 NH2 ARG A 56 24.240 -5.030 -1.522 1.00 0.00 N ATOM 0 H ARG A 56 20.339 -0.999 0.882 1.00 0.00 H new ATOM 0 HA ARG A 56 20.991 0.016 -1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 56 21.537 -2.301 -0.796 1.00 0.00 H new ATOM 0 HB3 ARG A 56 19.832 -2.680 -0.935 1.00 0.00 H new ATOM 0 HG2 ARG A 56 19.977 -2.148 -3.397 1.00 0.00 H new ATOM 0 HG3 ARG A 56 21.707 -1.942 -3.207 1.00 0.00 H new ATOM 0 HD2 ARG A 56 20.095 -4.478 -2.768 1.00 0.00 H new ATOM 0 HD3 ARG A 56 21.291 -4.182 -4.015 1.00 0.00 H new ATOM 0 HE ARG A 56 21.786 -4.943 -1.230 1.00 0.00 H new ATOM 0 HH11 ARG A 56 23.185 -3.422 -4.104 1.00 0.00 H new ATOM 0 HH12 ARG A 56 24.841 -3.831 -3.644 1.00 0.00 H new ATOM 0 HH21 ARG A 56 23.895 -5.497 -0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 56 25.241 -5.001 -1.714 1.00 0.00 H new ATOM 922 N ASP A 57 17.898 -0.367 -0.806 1.00 0.00 N ATOM 923 CA ASP A 57 16.502 -0.162 -1.184 1.00 0.00 C ATOM 924 C ASP A 57 16.121 1.316 -1.145 1.00 0.00 C ATOM 925 O ASP A 57 15.619 1.866 -2.131 1.00 0.00 O ATOM 926 CB ASP A 57 15.578 -0.957 -0.256 1.00 0.00 C ATOM 927 CG ASP A 57 14.111 -0.693 -0.535 1.00 0.00 C ATOM 928 OD1 ASP A 57 13.543 0.238 0.072 1.00 0.00 O ATOM 929 OD2 ASP A 57 13.520 -1.410 -1.370 1.00 0.00 O ATOM 0 H ASP A 57 18.043 -0.547 0.187 1.00 0.00 H new ATOM 0 HA ASP A 57 16.384 -0.517 -2.208 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.781 -2.022 -0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.800 -0.700 0.780 1.00 0.00 H new ATOM 934 N THR A 58 16.361 1.955 -0.010 1.00 0.00 N ATOM 935 CA THR A 58 15.944 3.331 0.197 1.00 0.00 C ATOM 936 C THR A 58 16.955 4.309 -0.398 1.00 0.00 C ATOM 937 O THR A 58 17.986 4.609 0.209 1.00 0.00 O ATOM 938 CB THR A 58 15.749 3.625 1.698 1.00 0.00 C ATOM 939 OG1 THR A 58 14.854 2.659 2.267 1.00 0.00 O ATOM 940 CG2 THR A 58 15.195 5.026 1.918 1.00 0.00 C ATOM 0 H THR A 58 16.845 1.539 0.785 1.00 0.00 H new ATOM 0 HA THR A 58 14.991 3.466 -0.314 1.00 0.00 H new ATOM 0 HB THR A 58 16.722 3.562 2.186 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.898 2.708 3.245 1.00 0.00 H new ATOM 0 HG21 THR A 58 15.068 5.204 2.986 1.00 0.00 H new ATOM 0 HG22 THR A 58 15.888 5.760 1.508 1.00 0.00 H new ATOM 0 HG23 THR A 58 14.231 5.119 1.418 1.00 0.00 H new ATOM 948 N GLY A 59 16.656 4.785 -1.597 1.00 0.00 N ATOM 949 CA GLY A 59 17.504 5.763 -2.240 1.00 0.00 C ATOM 950 C GLY A 59 17.572 5.570 -3.740 1.00 0.00 C ATOM 951 O GLY A 59 16.762 6.126 -4.484 1.00 0.00 O ATOM 0 H GLY A 59 15.836 4.509 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.131 6.763 -2.022 1.00 0.00 H new ATOM 0 HA3 GLY A 59 18.509 5.700 -1.822 1.00 0.00 H new ATOM 955 N GLY A 60 18.527 4.767 -4.184 1.00 0.00 N ATOM 956 CA GLY A 60 18.739 4.576 -5.605 1.00 0.00 C ATOM 957 C GLY A 60 19.879 5.428 -6.118 1.00 0.00 C ATOM 958 O GLY A 60 21.003 4.948 -6.266 1.00 0.00 O ATOM 0 H GLY A 60 19.162 4.242 -3.583 1.00 0.00 H new ATOM 0 HA2 GLY A 60 18.951 3.525 -5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.826 4.825 -6.146 1.00 0.00 H new ATOM 962 N ASP A 61 19.593 6.696 -6.382 1.00 0.00 N ATOM 963 CA ASP A 61 20.613 7.646 -6.803 1.00 0.00 C ATOM 964 C ASP A 61 20.316 9.014 -6.207 1.00 0.00 C ATOM 965 O ASP A 61 19.478 9.757 -6.718 1.00 0.00 O ATOM 966 CB ASP A 61 20.678 7.737 -8.331 1.00 0.00 C ATOM 967 CG ASP A 61 21.824 8.604 -8.815 1.00 0.00 C ATOM 968 OD1 ASP A 61 22.991 8.295 -8.489 1.00 0.00 O ATOM 969 OD2 ASP A 61 21.573 9.584 -9.546 1.00 0.00 O ATOM 0 H ASP A 61 18.656 7.092 -6.311 1.00 0.00 H new ATOM 0 HA ASP A 61 21.582 7.299 -6.444 1.00 0.00 H new ATOM 0 HB2 ASP A 61 20.784 6.735 -8.747 1.00 0.00 H new ATOM 0 HB3 ASP A 61 19.738 8.140 -8.708 1.00 0.00 H new ATOM 974 N ASP A 62 20.990 9.330 -5.111 1.00 0.00 N ATOM 975 CA ASP A 62 20.716 10.551 -4.361 1.00 0.00 C ATOM 976 C ASP A 62 21.738 11.638 -4.679 1.00 0.00 C ATOM 977 O ASP A 62 21.804 12.660 -3.990 1.00 0.00 O ATOM 978 CB ASP A 62 20.726 10.269 -2.854 1.00 0.00 C ATOM 979 CG ASP A 62 19.523 9.478 -2.376 1.00 0.00 C ATOM 980 OD1 ASP A 62 19.581 8.228 -2.376 1.00 0.00 O ATOM 981 OD2 ASP A 62 18.520 10.102 -1.973 1.00 0.00 O ATOM 0 H ASP A 62 21.735 8.755 -4.718 1.00 0.00 H new ATOM 0 HA ASP A 62 19.728 10.903 -4.659 1.00 0.00 H new ATOM 0 HB2 ASP A 62 21.634 9.721 -2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 62 20.765 11.216 -2.316 1.00 0.00 H new ATOM 986 N GLY A 63 22.526 11.425 -5.722 1.00 0.00 N ATOM 987 CA GLY A 63 23.516 12.408 -6.112 1.00 0.00 C ATOM 988 C GLY A 63 22.995 13.342 -7.180 1.00 0.00 C ATOM 989 O GLY A 63 22.237 12.926 -8.058 1.00 0.00 O ATOM 0 H GLY A 63 22.498 10.589 -6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 63 23.816 12.987 -5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 63 24.408 11.899 -6.479 1.00 0.00 H new ATOM 993 N GLY A 64 23.387 14.604 -7.108 1.00 0.00 N ATOM 994 CA GLY A 64 22.949 15.571 -8.093 1.00 0.00 C ATOM 995 C GLY A 64 23.619 16.915 -7.913 1.00 0.00 C ATOM 996 O GLY A 64 24.739 17.131 -8.382 1.00 0.00 O ATOM 0 H GLY A 64 24.001 14.977 -6.384 1.00 0.00 H new ATOM 0 HA2 GLY A 64 23.163 15.191 -9.092 1.00 0.00 H new ATOM 0 HA3 GLY A 64 21.868 15.694 -8.023 1.00 0.00 H new ATOM 1000 N LEU A 65 22.932 17.827 -7.244 1.00 0.00 N ATOM 1001 CA LEU A 65 23.483 19.144 -6.969 1.00 0.00 C ATOM 1002 C LEU A 65 23.946 19.240 -5.524 1.00 0.00 C ATOM 1003 O LEU A 65 23.141 19.161 -4.595 1.00 0.00 O ATOM 1004 CB LEU A 65 22.463 20.252 -7.267 1.00 0.00 C ATOM 1005 CG LEU A 65 22.334 20.656 -8.741 1.00 0.00 C ATOM 1006 CD1 LEU A 65 21.676 19.555 -9.558 1.00 0.00 C ATOM 1007 CD2 LEU A 65 21.552 21.954 -8.867 1.00 0.00 C ATOM 0 H LEU A 65 21.990 17.679 -6.881 1.00 0.00 H new ATOM 0 HA LEU A 65 24.340 19.284 -7.627 1.00 0.00 H new ATOM 0 HB2 LEU A 65 21.485 19.926 -6.911 1.00 0.00 H new ATOM 0 HB3 LEU A 65 22.734 21.136 -6.689 1.00 0.00 H new ATOM 0 HG LEU A 65 23.337 20.812 -9.137 1.00 0.00 H new ATOM 0 HD11 LEU A 65 21.598 19.871 -10.598 1.00 0.00 H new ATOM 0 HD12 LEU A 65 22.278 18.648 -9.498 1.00 0.00 H new ATOM 0 HD13 LEU A 65 20.679 19.356 -9.164 1.00 0.00 H new ATOM 0 HD21 LEU A 65 21.469 22.228 -9.919 1.00 0.00 H new ATOM 0 HD22 LEU A 65 20.555 21.820 -8.447 1.00 0.00 H new ATOM 0 HD23 LEU A 65 22.071 22.745 -8.326 1.00 0.00 H new ATOM 1019 N THR A 66 25.248 19.406 -5.346 1.00 0.00 N ATOM 1020 CA THR A 66 25.833 19.509 -4.023 1.00 0.00 C ATOM 1021 C THR A 66 25.645 20.923 -3.469 1.00 0.00 C ATOM 1022 O THR A 66 25.115 21.101 -2.370 1.00 0.00 O ATOM 1023 CB THR A 66 27.332 19.154 -4.064 1.00 0.00 C ATOM 1024 OG1 THR A 66 27.525 17.977 -4.866 1.00 0.00 O ATOM 1025 CG2 THR A 66 27.870 18.906 -2.662 1.00 0.00 C ATOM 0 H THR A 66 25.922 19.472 -6.109 1.00 0.00 H new ATOM 0 HA THR A 66 25.326 18.801 -3.367 1.00 0.00 H new ATOM 0 HB THR A 66 27.874 19.994 -4.499 1.00 0.00 H new ATOM 0 HG1 THR A 66 28.479 17.752 -4.893 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.930 18.657 -2.718 1.00 0.00 H new ATOM 0 HG22 THR A 66 27.739 19.804 -2.058 1.00 0.00 H new ATOM 0 HG23 THR A 66 27.327 18.079 -2.205 1.00 0.00 H new ATOM 1033 N THR A 67 26.082 21.919 -4.246 1.00 0.00 N ATOM 1034 CA THR A 67 25.910 23.334 -3.897 1.00 0.00 C ATOM 1035 C THR A 67 26.569 23.677 -2.545 1.00 0.00 C ATOM 1036 O THR A 67 26.285 24.707 -1.934 1.00 0.00 O ATOM 1037 CB THR A 67 24.407 23.705 -3.866 1.00 0.00 C ATOM 1038 OG1 THR A 67 23.737 23.082 -4.975 1.00 0.00 O ATOM 1039 CG2 THR A 67 24.206 25.215 -3.953 1.00 0.00 C ATOM 0 H THR A 67 26.564 21.768 -5.132 1.00 0.00 H new ATOM 0 HA THR A 67 26.409 23.922 -4.668 1.00 0.00 H new ATOM 0 HB THR A 67 23.992 23.353 -2.922 1.00 0.00 H new ATOM 0 HG1 THR A 67 22.785 23.315 -4.955 1.00 0.00 H new ATOM 0 HG21 THR A 67 23.140 25.442 -3.929 1.00 0.00 H new ATOM 0 HG22 THR A 67 24.699 25.697 -3.109 1.00 0.00 H new ATOM 0 HG23 THR A 67 24.635 25.586 -4.884 1.00 0.00 H new ATOM 1047 N ALA A 68 27.483 22.828 -2.100 1.00 0.00 N ATOM 1048 CA ALA A 68 28.127 23.018 -0.812 1.00 0.00 C ATOM 1049 C ALA A 68 29.392 23.847 -0.961 1.00 0.00 C ATOM 1050 O ALA A 68 30.439 23.328 -1.342 1.00 0.00 O ATOM 1051 CB ALA A 68 28.437 21.671 -0.171 1.00 0.00 C ATOM 0 H ALA A 68 27.794 22.002 -2.612 1.00 0.00 H new ATOM 0 HA ALA A 68 27.442 23.560 -0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 68 28.919 21.829 0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 68 27.511 21.115 -0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 68 29.103 21.103 -0.821 1.00 0.00 H new ATOM 1057 N GLU A 69 29.275 25.144 -0.699 1.00 0.00 N ATOM 1058 CA GLU A 69 30.421 26.040 -0.743 1.00 0.00 C ATOM 1059 C GLU A 69 30.072 27.401 -0.149 1.00 0.00 C ATOM 1060 O GLU A 69 30.453 27.713 0.977 1.00 0.00 O ATOM 1061 CB GLU A 69 30.925 26.218 -2.177 1.00 0.00 C ATOM 1062 CG GLU A 69 32.116 27.153 -2.281 1.00 0.00 C ATOM 1063 CD GLU A 69 32.587 27.339 -3.703 1.00 0.00 C ATOM 1064 OE1 GLU A 69 31.920 28.068 -4.464 1.00 0.00 O ATOM 1065 OE2 GLU A 69 33.629 26.758 -4.071 1.00 0.00 O ATOM 0 H GLU A 69 28.395 25.598 -0.453 1.00 0.00 H new ATOM 0 HA GLU A 69 31.213 25.587 -0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 69 31.200 25.244 -2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 69 30.114 26.603 -2.795 1.00 0.00 H new ATOM 0 HG2 GLU A 69 31.849 28.123 -1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 69 32.935 26.760 -1.680 1.00 0.00 H new ATOM 1072 N ARG A 70 29.324 28.197 -0.898 1.00 0.00 N ATOM 1073 CA ARG A 70 29.070 29.574 -0.506 1.00 0.00 C ATOM 1074 C ARG A 70 27.685 29.726 0.109 1.00 0.00 C ATOM 1075 O ARG A 70 27.544 30.233 1.221 1.00 0.00 O ATOM 1076 CB ARG A 70 29.214 30.490 -1.720 1.00 0.00 C ATOM 1077 CG ARG A 70 29.382 31.960 -1.366 1.00 0.00 C ATOM 1078 CD ARG A 70 29.600 32.814 -2.607 1.00 0.00 C ATOM 1079 NE ARG A 70 28.385 32.952 -3.406 1.00 0.00 N ATOM 1080 CZ ARG A 70 28.207 32.393 -4.600 1.00 0.00 C ATOM 1081 NH1 ARG A 70 29.117 31.566 -5.098 1.00 0.00 N ATOM 1082 NH2 ARG A 70 27.107 32.647 -5.294 1.00 0.00 N ATOM 0 H ARG A 70 28.885 27.915 -1.775 1.00 0.00 H new ATOM 0 HA ARG A 70 29.803 29.857 0.250 1.00 0.00 H new ATOM 0 HB2 ARG A 70 30.074 30.167 -2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 70 28.335 30.377 -2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 70 28.498 32.310 -0.834 1.00 0.00 H new ATOM 0 HG3 ARG A 70 30.229 32.077 -0.690 1.00 0.00 H new ATOM 0 HD2 ARG A 70 29.950 33.802 -2.308 1.00 0.00 H new ATOM 0 HD3 ARG A 70 30.385 32.369 -3.218 1.00 0.00 H new ATOM 0 HE ARG A 70 27.624 33.513 -3.024 1.00 0.00 H new ATOM 0 HH11 ARG A 70 29.960 31.355 -4.565 1.00 0.00 H new ATOM 0 HH12 ARG A 70 28.973 31.141 -6.014 1.00 0.00 H new ATOM 0 HH21 ARG A 70 26.396 33.271 -4.913 1.00 0.00 H new ATOM 0 HH22 ARG A 70 26.971 32.218 -6.209 1.00 0.00 H new ATOM 1096 N GLN A 71 26.663 29.281 -0.606 1.00 0.00 N ATOM 1097 CA GLN A 71 25.300 29.412 -0.115 1.00 0.00 C ATOM 1098 C GLN A 71 24.570 28.076 -0.153 1.00 0.00 C ATOM 1099 O GLN A 71 24.135 27.627 -1.214 1.00 0.00 O ATOM 1100 CB GLN A 71 24.517 30.447 -0.927 1.00 0.00 C ATOM 1101 CG GLN A 71 23.123 30.716 -0.373 1.00 0.00 C ATOM 1102 CD GLN A 71 22.309 31.671 -1.224 1.00 0.00 C ATOM 1103 OE1 GLN A 71 22.533 31.648 -2.529 1.00 0.00 O flip ATOM 1104 NE2 GLN A 71 21.473 32.414 -0.711 1.00 0.00 N flip ATOM 0 H GLN A 71 26.749 28.831 -1.517 1.00 0.00 H new ATOM 0 HA GLN A 71 25.362 29.749 0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 71 25.078 31.381 -0.950 1.00 0.00 H new ATOM 0 HB3 GLN A 71 24.431 30.101 -1.957 1.00 0.00 H new ATOM 0 HG2 GLN A 71 22.586 29.771 -0.286 1.00 0.00 H new ATOM 0 HG3 GLN A 71 23.213 31.125 0.633 1.00 0.00 H new ATOM 0 HE21 GLN A 71 21.331 32.401 0.299 1.00 0.00 H new ATOM 0 HE22 GLN A 71 20.922 33.043 -1.296 1.00 0.00 H new ATOM 1113 N ARG A 72 24.464 27.439 1.005 1.00 0.00 N ATOM 1114 CA ARG A 72 23.683 26.215 1.134 1.00 0.00 C ATOM 1115 C ARG A 72 22.291 26.535 1.661 1.00 0.00 C ATOM 1116 O ARG A 72 21.296 25.966 1.217 1.00 0.00 O ATOM 1117 CB ARG A 72 24.379 25.226 2.068 1.00 0.00 C ATOM 1118 CG ARG A 72 25.651 24.631 1.490 1.00 0.00 C ATOM 1119 CD ARG A 72 26.328 23.703 2.483 1.00 0.00 C ATOM 1120 NE ARG A 72 25.460 22.599 2.906 1.00 0.00 N ATOM 1121 CZ ARG A 72 25.896 21.532 3.576 1.00 0.00 C ATOM 1122 NH1 ARG A 72 27.184 21.417 3.884 1.00 0.00 N ATOM 1123 NH2 ARG A 72 25.048 20.580 3.946 1.00 0.00 N ATOM 0 H ARG A 72 24.909 27.749 1.869 1.00 0.00 H new ATOM 0 HA ARG A 72 23.596 25.758 0.148 1.00 0.00 H new ATOM 0 HB2 ARG A 72 24.617 25.731 3.004 1.00 0.00 H new ATOM 0 HB3 ARG A 72 23.687 24.419 2.308 1.00 0.00 H new ATOM 0 HG2 ARG A 72 25.416 24.082 0.578 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.336 25.432 1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 72 27.234 23.296 2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 72 26.635 24.275 3.359 1.00 0.00 H new ATOM 0 HE ARG A 72 24.468 22.650 2.675 1.00 0.00 H new ATOM 0 HH11 ARG A 72 27.842 22.146 3.608 1.00 0.00 H new ATOM 0 HH12 ARG A 72 27.515 20.600 4.397 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.057 20.663 3.718 1.00 0.00 H new ATOM 0 HH22 ARG A 72 25.387 19.766 4.458 1.00 0.00 H new ATOM 1137 N LEU A 73 22.227 27.459 2.605 1.00 0.00 N ATOM 1138 CA LEU A 73 20.962 27.870 3.187 1.00 0.00 C ATOM 1139 C LEU A 73 20.347 28.980 2.343 1.00 0.00 C ATOM 1140 O LEU A 73 20.774 30.135 2.403 1.00 0.00 O ATOM 1141 CB LEU A 73 21.181 28.334 4.635 1.00 0.00 C ATOM 1142 CG LEU A 73 19.944 28.331 5.543 1.00 0.00 C ATOM 1143 CD1 LEU A 73 20.364 28.484 6.995 1.00 0.00 C ATOM 1144 CD2 LEU A 73 18.972 29.439 5.166 1.00 0.00 C ATOM 0 H LEU A 73 23.042 27.941 2.986 1.00 0.00 H new ATOM 0 HA LEU A 73 20.273 27.026 3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.940 27.696 5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 73 21.587 29.345 4.613 1.00 0.00 H new ATOM 0 HG LEU A 73 19.434 27.377 5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.479 28.481 7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.015 27.656 7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.899 29.425 7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 73 18.108 29.407 5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.467 30.405 5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 73 18.643 29.300 4.136 1.00 0.00 H new ATOM 1156 N LYS A 74 19.358 28.619 1.540 1.00 0.00 N ATOM 1157 CA LYS A 74 18.671 29.584 0.697 1.00 0.00 C ATOM 1158 C LYS A 74 17.307 29.913 1.278 1.00 0.00 C ATOM 1159 O LYS A 74 16.393 29.083 1.245 1.00 0.00 O ATOM 1160 CB LYS A 74 18.508 29.049 -0.728 1.00 0.00 C ATOM 1161 CG LYS A 74 19.820 28.701 -1.411 1.00 0.00 C ATOM 1162 CD LYS A 74 19.587 28.157 -2.811 1.00 0.00 C ATOM 1163 CE LYS A 74 18.960 29.202 -3.717 1.00 0.00 C ATOM 1164 NZ LYS A 74 18.594 28.638 -5.041 1.00 0.00 N ATOM 0 H LYS A 74 19.013 27.663 1.455 1.00 0.00 H new ATOM 0 HA LYS A 74 19.276 30.490 0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 74 17.877 28.161 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 74 17.985 29.794 -1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.451 29.588 -1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.357 27.962 -0.816 1.00 0.00 H new ATOM 0 HD2 LYS A 74 20.535 27.827 -3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 74 18.939 27.282 -2.759 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.070 29.611 -3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.657 30.029 -3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 18.169 29.382 -5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 19.447 28.270 -5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.909 27.866 -4.912 1.00 0.00 H new ATOM 1178 N GLU A 75 17.171 31.114 1.818 1.00 0.00 N ATOM 1179 CA GLU A 75 15.905 31.550 2.386 1.00 0.00 C ATOM 1180 C GLU A 75 15.761 33.067 2.287 1.00 0.00 C ATOM 1181 O GLU A 75 16.234 33.805 3.156 1.00 0.00 O ATOM 1182 CB GLU A 75 15.779 31.101 3.845 1.00 0.00 C ATOM 1183 CG GLU A 75 14.439 31.448 4.471 1.00 0.00 C ATOM 1184 CD GLU A 75 14.346 31.031 5.921 1.00 0.00 C ATOM 1185 OE1 GLU A 75 14.845 31.775 6.791 1.00 0.00 O ATOM 1186 OE2 GLU A 75 13.758 29.969 6.203 1.00 0.00 O ATOM 0 H GLU A 75 17.921 31.803 1.875 1.00 0.00 H new ATOM 0 HA GLU A 75 15.103 31.087 1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 75 15.928 30.023 3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 75 16.575 31.563 4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 75 14.275 32.523 4.395 1.00 0.00 H new ATOM 0 HG3 GLU A 75 13.643 30.963 3.906 1.00 0.00 H new ATOM 1193 N PRO A 76 15.130 33.547 1.207 1.00 0.00 N ATOM 1194 CA PRO A 76 14.852 34.968 1.012 1.00 0.00 C ATOM 1195 C PRO A 76 13.698 35.432 1.893 1.00 0.00 C ATOM 1196 O PRO A 76 12.883 34.622 2.340 1.00 0.00 O ATOM 1197 CB PRO A 76 14.470 35.073 -0.476 1.00 0.00 C ATOM 1198 CG PRO A 76 14.730 33.720 -1.058 1.00 0.00 C ATOM 1199 CD PRO A 76 14.639 32.751 0.082 1.00 0.00 C ATOM 0 HA PRO A 76 15.703 35.595 1.278 1.00 0.00 H new ATOM 0 HB2 PRO A 76 13.423 35.355 -0.592 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.063 35.836 -0.979 1.00 0.00 H new ATOM 0 HG2 PRO A 76 13.999 33.482 -1.831 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.714 33.680 -1.526 1.00 0.00 H new ATOM 0 HD2 PRO A 76 13.617 32.407 0.243 1.00 0.00 H new ATOM 0 HD3 PRO A 76 15.251 31.865 -0.087 1.00 0.00 H new ATOM 1207 N GLU A 77 13.637 36.729 2.156 1.00 0.00 N ATOM 1208 CA GLU A 77 12.547 37.288 2.940 1.00 0.00 C ATOM 1209 C GLU A 77 11.488 37.864 2.007 1.00 0.00 C ATOM 1210 O GLU A 77 10.458 37.244 1.751 1.00 0.00 O ATOM 1211 CB GLU A 77 13.060 38.376 3.887 1.00 0.00 C ATOM 1212 CG GLU A 77 12.003 38.871 4.861 1.00 0.00 C ATOM 1213 CD GLU A 77 12.455 40.065 5.671 1.00 0.00 C ATOM 1214 OE1 GLU A 77 13.379 39.917 6.492 1.00 0.00 O ATOM 1215 OE2 GLU A 77 11.872 41.159 5.499 1.00 0.00 O ATOM 0 H GLU A 77 14.326 37.411 1.839 1.00 0.00 H new ATOM 0 HA GLU A 77 12.107 36.493 3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.909 37.988 4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.425 39.218 3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.102 39.135 4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.734 38.061 5.539 1.00 0.00 H new ATOM 1222 N ARG A 78 11.766 39.050 1.493 1.00 0.00 N ATOM 1223 CA ARG A 78 10.891 39.712 0.539 1.00 0.00 C ATOM 1224 C ARG A 78 11.754 40.407 -0.513 1.00 0.00 C ATOM 1225 O ARG A 78 11.264 41.158 -1.356 1.00 0.00 O ATOM 1226 CB ARG A 78 9.991 40.712 1.281 1.00 0.00 C ATOM 1227 CG ARG A 78 9.012 41.468 0.395 1.00 0.00 C ATOM 1228 CD ARG A 78 8.071 42.333 1.210 1.00 0.00 C ATOM 1229 NE ARG A 78 7.327 43.269 0.371 1.00 0.00 N ATOM 1230 CZ ARG A 78 6.006 43.429 0.424 1.00 0.00 C ATOM 1231 NH1 ARG A 78 5.266 42.654 1.203 1.00 0.00 N ATOM 1232 NH2 ARG A 78 5.421 44.348 -0.332 1.00 0.00 N ATOM 0 H ARG A 78 12.605 39.582 1.725 1.00 0.00 H new ATOM 0 HA ARG A 78 10.246 38.990 0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.428 40.176 2.045 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.623 41.434 1.798 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.564 42.093 -0.307 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.434 40.758 -0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.372 41.697 1.753 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.641 42.888 1.955 1.00 0.00 H new ATOM 0 HE ARG A 78 7.851 43.835 -0.296 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.707 41.928 1.768 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.255 42.783 1.238 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.983 44.931 -0.953 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.409 44.472 -0.293 1.00 0.00 H new ATOM 1246 N GLU A 79 13.047 40.081 -0.476 1.00 0.00 N ATOM 1247 CA GLU A 79 14.064 40.765 -1.269 1.00 0.00 C ATOM 1248 C GLU A 79 13.954 42.268 -1.078 1.00 0.00 C ATOM 1249 O GLU A 79 13.371 42.988 -1.886 1.00 0.00 O ATOM 1250 CB GLU A 79 13.980 40.359 -2.739 1.00 0.00 C ATOM 1251 CG GLU A 79 14.198 38.865 -2.934 1.00 0.00 C ATOM 1252 CD GLU A 79 15.442 38.369 -2.220 1.00 0.00 C ATOM 1253 OE1 GLU A 79 15.393 38.182 -0.979 1.00 0.00 O ATOM 1254 OE2 GLU A 79 16.477 38.177 -2.890 1.00 0.00 O ATOM 0 H GLU A 79 13.418 39.331 0.108 1.00 0.00 H new ATOM 0 HA GLU A 79 15.050 40.460 -0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.004 40.637 -3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.726 40.911 -3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.328 38.321 -2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.281 38.648 -3.999 1.00 0.00 H new ATOM 1261 N ASN A 80 14.521 42.719 0.024 1.00 0.00 N ATOM 1262 CA ASN A 80 14.294 44.068 0.513 1.00 0.00 C ATOM 1263 C ASN A 80 15.280 45.051 -0.105 1.00 0.00 C ATOM 1264 O ASN A 80 15.150 46.262 0.069 1.00 0.00 O ATOM 1265 CB ASN A 80 14.414 44.103 2.047 1.00 0.00 C ATOM 1266 CG ASN A 80 13.548 43.061 2.756 1.00 0.00 C ATOM 1267 OD1 ASN A 80 13.306 41.965 2.244 1.00 0.00 O ATOM 1268 ND2 ASN A 80 13.078 43.392 3.947 1.00 0.00 N ATOM 0 H ASN A 80 15.150 42.164 0.605 1.00 0.00 H new ATOM 0 HA ASN A 80 13.287 44.366 0.222 1.00 0.00 H new ATOM 0 HB2 ASN A 80 15.456 43.946 2.325 1.00 0.00 H new ATOM 0 HB3 ASN A 80 14.136 45.095 2.402 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.499 42.734 4.468 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.295 44.306 4.345 1.00 0.00 H new ATOM 1275 N ARG A 81 16.270 44.532 -0.823 1.00 0.00 N ATOM 1276 CA ARG A 81 17.267 45.384 -1.456 1.00 0.00 C ATOM 1277 C ARG A 81 16.957 45.551 -2.936 1.00 0.00 C ATOM 1278 O ARG A 81 17.098 44.613 -3.720 1.00 0.00 O ATOM 1279 CB ARG A 81 18.680 44.815 -1.290 1.00 0.00 C ATOM 1280 CG ARG A 81 19.042 44.454 0.140 1.00 0.00 C ATOM 1281 CD ARG A 81 20.549 44.432 0.339 1.00 0.00 C ATOM 1282 NE ARG A 81 21.081 45.774 0.579 1.00 0.00 N ATOM 1283 CZ ARG A 81 22.116 46.312 -0.066 1.00 0.00 C ATOM 1284 NH1 ARG A 81 22.703 45.666 -1.065 1.00 0.00 N ATOM 1285 NH2 ARG A 81 22.546 47.515 0.283 1.00 0.00 N ATOM 0 H ARG A 81 16.402 43.533 -0.980 1.00 0.00 H new ATOM 0 HA ARG A 81 17.228 46.355 -0.963 1.00 0.00 H new ATOM 0 HB2 ARG A 81 18.777 43.926 -1.913 1.00 0.00 H new ATOM 0 HB3 ARG A 81 19.399 45.545 -1.662 1.00 0.00 H new ATOM 0 HG2 ARG A 81 18.593 45.174 0.824 1.00 0.00 H new ATOM 0 HG3 ARG A 81 18.626 43.477 0.387 1.00 0.00 H new ATOM 0 HD2 ARG A 81 20.796 43.786 1.182 1.00 0.00 H new ATOM 0 HD3 ARG A 81 21.027 44.003 -0.542 1.00 0.00 H new ATOM 0 HE ARG A 81 20.625 46.341 1.294 1.00 0.00 H new ATOM 0 HH11 ARG A 81 22.363 44.747 -1.348 1.00 0.00 H new ATOM 0 HH12 ARG A 81 23.494 46.089 -1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 81 22.086 48.021 1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 81 23.337 47.935 -0.205 1.00 0.00 H new ATOM 1299 N GLU A 82 16.516 46.742 -3.308 1.00 0.00 N ATOM 1300 CA GLU A 82 16.237 47.055 -4.703 1.00 0.00 C ATOM 1301 C GLU A 82 17.483 47.611 -5.374 1.00 0.00 C ATOM 1302 O GLU A 82 18.450 47.958 -4.692 1.00 0.00 O ATOM 1303 CB GLU A 82 15.093 48.063 -4.804 1.00 0.00 C ATOM 1304 CG GLU A 82 13.750 47.510 -4.364 1.00 0.00 C ATOM 1305 CD GLU A 82 13.252 46.410 -5.275 1.00 0.00 C ATOM 1306 OE1 GLU A 82 12.978 46.697 -6.458 1.00 0.00 O ATOM 1307 OE2 GLU A 82 13.135 45.255 -4.819 1.00 0.00 O ATOM 0 H GLU A 82 16.343 47.512 -2.661 1.00 0.00 H new ATOM 0 HA GLU A 82 15.940 46.138 -5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.334 48.934 -4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.014 48.407 -5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.834 47.126 -3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.018 48.317 -4.340 1.00 0.00 H new ATOM 1314 N LEU A 83 17.449 47.689 -6.707 1.00 0.00 N ATOM 1315 CA LEU A 83 18.569 48.197 -7.509 1.00 0.00 C ATOM 1316 C LEU A 83 19.754 47.233 -7.484 1.00 0.00 C ATOM 1317 O LEU A 83 20.137 46.685 -8.518 1.00 0.00 O ATOM 1318 CB LEU A 83 19.009 49.589 -7.040 1.00 0.00 C ATOM 1319 CG LEU A 83 17.955 50.689 -7.178 1.00 0.00 C ATOM 1320 CD1 LEU A 83 18.476 51.999 -6.610 1.00 0.00 C ATOM 1321 CD2 LEU A 83 17.556 50.867 -8.635 1.00 0.00 C ATOM 0 H LEU A 83 16.644 47.402 -7.263 1.00 0.00 H new ATOM 0 HA LEU A 83 18.214 48.279 -8.536 1.00 0.00 H new ATOM 0 HB2 LEU A 83 19.308 49.524 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 83 19.893 49.883 -7.606 1.00 0.00 H new ATOM 0 HG LEU A 83 17.073 50.391 -6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 83 17.713 52.771 -6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 83 18.715 51.868 -5.555 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.373 52.299 -7.151 1.00 0.00 H new ATOM 0 HD21 LEU A 83 16.806 51.654 -8.713 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.433 51.142 -9.221 1.00 0.00 H new ATOM 0 HD23 LEU A 83 17.143 49.933 -9.016 1.00 0.00 H new ATOM 1333 N ARG A 84 20.320 47.024 -6.306 1.00 0.00 N ATOM 1334 CA ARG A 84 21.444 46.121 -6.142 1.00 0.00 C ATOM 1335 C ARG A 84 21.207 45.223 -4.933 1.00 0.00 C ATOM 1336 O ARG A 84 20.856 45.704 -3.853 1.00 0.00 O ATOM 1337 CB ARG A 84 22.744 46.914 -5.973 1.00 0.00 C ATOM 1338 CG ARG A 84 23.998 46.051 -5.975 1.00 0.00 C ATOM 1339 CD ARG A 84 25.259 46.903 -5.981 1.00 0.00 C ATOM 1340 NE ARG A 84 25.283 47.823 -7.117 1.00 0.00 N ATOM 1341 CZ ARG A 84 26.316 48.602 -7.437 1.00 0.00 C ATOM 1342 NH1 ARG A 84 27.463 48.522 -6.767 1.00 0.00 N ATOM 1343 NH2 ARG A 84 26.197 49.452 -8.448 1.00 0.00 N ATOM 0 H ARG A 84 20.014 47.473 -5.443 1.00 0.00 H new ATOM 0 HA ARG A 84 21.536 45.500 -7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 84 22.818 47.647 -6.776 1.00 0.00 H new ATOM 0 HB3 ARG A 84 22.699 47.471 -5.037 1.00 0.00 H new ATOM 0 HG2 ARG A 84 23.998 45.405 -5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 84 23.992 45.401 -6.850 1.00 0.00 H new ATOM 0 HD2 ARG A 84 25.320 47.470 -5.052 1.00 0.00 H new ATOM 0 HD3 ARG A 84 26.135 46.256 -6.018 1.00 0.00 H new ATOM 0 HE ARG A 84 24.451 47.872 -7.706 1.00 0.00 H new ATOM 0 HH11 ARG A 84 27.559 47.859 -5.998 1.00 0.00 H new ATOM 0 HH12 ARG A 84 28.246 49.124 -7.022 1.00 0.00 H new ATOM 0 HH21 ARG A 84 25.322 49.504 -8.970 1.00 0.00 H new ATOM 0 HH22 ARG A 84 26.980 50.054 -8.703 1.00 0.00 H new ATOM 1357 N ARG A 85 21.383 43.920 -5.129 1.00 0.00 N ATOM 1358 CA ARG A 85 21.174 42.944 -4.062 1.00 0.00 C ATOM 1359 C ARG A 85 22.305 43.000 -3.032 1.00 0.00 C ATOM 1360 O ARG A 85 23.198 43.841 -3.126 1.00 0.00 O ATOM 1361 CB ARG A 85 21.035 41.532 -4.648 1.00 0.00 C ATOM 1362 CG ARG A 85 22.181 41.120 -5.555 1.00 0.00 C ATOM 1363 CD ARG A 85 21.982 39.714 -6.103 1.00 0.00 C ATOM 1364 NE ARG A 85 23.081 39.310 -6.978 1.00 0.00 N ATOM 1365 CZ ARG A 85 23.489 38.051 -7.145 1.00 0.00 C ATOM 1366 NH1 ARG A 85 22.843 37.050 -6.554 1.00 0.00 N ATOM 1367 NH2 ARG A 85 24.528 37.794 -7.929 1.00 0.00 N ATOM 0 H ARG A 85 21.671 43.513 -6.019 1.00 0.00 H new ATOM 0 HA ARG A 85 20.247 43.196 -3.547 1.00 0.00 H new ATOM 0 HB2 ARG A 85 20.959 40.817 -3.829 1.00 0.00 H new ATOM 0 HB3 ARG A 85 20.103 41.474 -5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 85 22.263 41.825 -6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 85 23.119 41.166 -5.002 1.00 0.00 H new ATOM 0 HD2 ARG A 85 21.899 39.010 -5.275 1.00 0.00 H new ATOM 0 HD3 ARG A 85 21.043 39.669 -6.655 1.00 0.00 H new ATOM 0 HE ARG A 85 23.569 40.041 -7.496 1.00 0.00 H new ATOM 0 HH11 ARG A 85 22.030 37.243 -5.969 1.00 0.00 H new ATOM 0 HH12 ARG A 85 23.160 36.090 -6.686 1.00 0.00 H new ATOM 0 HH21 ARG A 85 25.012 38.558 -8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 85 24.843 36.833 -8.059 1.00 0.00 H new ATOM 1381 N SER A 86 22.247 42.110 -2.043 1.00 0.00 N ATOM 1382 CA SER A 86 23.196 42.108 -0.931 1.00 0.00 C ATOM 1383 C SER A 86 24.643 42.011 -1.411 1.00 0.00 C ATOM 1384 O SER A 86 24.949 41.287 -2.361 1.00 0.00 O ATOM 1385 CB SER A 86 22.877 40.946 0.011 1.00 0.00 C ATOM 1386 OG SER A 86 21.526 41.003 0.440 1.00 0.00 O ATOM 0 H SER A 86 21.544 41.373 -1.990 1.00 0.00 H new ATOM 0 HA SER A 86 23.093 43.055 -0.402 1.00 0.00 H new ATOM 0 HB2 SER A 86 23.063 39.999 -0.496 1.00 0.00 H new ATOM 0 HB3 SER A 86 23.540 40.980 0.876 1.00 0.00 H new ATOM 0 HG SER A 86 21.341 40.251 1.040 1.00 0.00 H new ATOM 1392 N ASN A 87 25.522 42.753 -0.747 1.00 0.00 N ATOM 1393 CA ASN A 87 26.934 42.772 -1.095 1.00 0.00 C ATOM 1394 C ASN A 87 27.698 41.749 -0.264 1.00 0.00 C ATOM 1395 O ASN A 87 27.105 41.013 0.529 1.00 0.00 O ATOM 1396 CB ASN A 87 27.533 44.166 -0.872 1.00 0.00 C ATOM 1397 CG ASN A 87 26.901 45.231 -1.744 1.00 0.00 C ATOM 1398 OD1 ASN A 87 27.314 45.442 -2.885 1.00 0.00 O ATOM 1399 ND2 ASN A 87 25.906 45.918 -1.208 1.00 0.00 N ATOM 0 H ASN A 87 25.277 43.353 0.041 1.00 0.00 H new ATOM 0 HA ASN A 87 27.023 42.517 -2.151 1.00 0.00 H new ATOM 0 HB2 ASN A 87 27.412 44.443 0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 87 28.604 44.131 -1.071 1.00 0.00 H new ATOM 0 HD21 ASN A 87 25.449 46.656 -1.744 1.00 0.00 H new ATOM 0 HD22 ASN A 87 25.596 45.710 -0.259 1.00 0.00 H new ATOM 1406 N ASP A 88 29.012 41.719 -0.430 1.00 0.00 N ATOM 1407 CA ASP A 88 29.851 40.767 0.282 1.00 0.00 C ATOM 1408 C ASP A 88 30.769 41.483 1.266 1.00 0.00 C ATOM 1409 O ASP A 88 30.929 41.053 2.411 1.00 0.00 O ATOM 1410 CB ASP A 88 30.688 39.947 -0.700 1.00 0.00 C ATOM 1411 CG ASP A 88 31.584 38.949 0.004 1.00 0.00 C ATOM 1412 OD1 ASP A 88 31.058 37.948 0.540 1.00 0.00 O ATOM 1413 OD2 ASP A 88 32.815 39.158 0.025 1.00 0.00 O ATOM 0 H ASP A 88 29.521 42.345 -1.054 1.00 0.00 H new ATOM 0 HA ASP A 88 29.196 40.096 0.837 1.00 0.00 H new ATOM 0 HB2 ASP A 88 30.026 39.418 -1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 88 31.299 40.619 -1.303 1.00 0.00 H new ATOM 1418 N ILE A 89 31.358 42.579 0.814 1.00 0.00 N ATOM 1419 CA ILE A 89 32.291 43.343 1.628 1.00 0.00 C ATOM 1420 C ILE A 89 31.960 44.836 1.550 1.00 0.00 C ATOM 1421 O ILE A 89 31.634 45.355 0.478 1.00 0.00 O ATOM 1422 CB ILE A 89 33.757 43.087 1.183 1.00 0.00 C ATOM 1423 CG1 ILE A 89 34.751 43.767 2.130 1.00 0.00 C ATOM 1424 CG2 ILE A 89 33.979 43.548 -0.249 1.00 0.00 C ATOM 1425 CD1 ILE A 89 34.845 43.104 3.488 1.00 0.00 C ATOM 0 H ILE A 89 31.205 42.962 -0.119 1.00 0.00 H new ATOM 0 HA ILE A 89 32.191 43.014 2.662 1.00 0.00 H new ATOM 0 HB ILE A 89 33.933 42.012 1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 89 35.738 43.769 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 89 34.459 44.809 2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 89 35.013 43.358 -0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 89 33.311 43.002 -0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 89 33.772 44.616 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 89 35.567 43.639 4.105 1.00 0.00 H new ATOM 0 HD12 ILE A 89 33.868 43.125 3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 89 35.167 42.070 3.366 1.00 0.00 H new ATOM 1437 N LEU A 90 32.005 45.517 2.691 1.00 0.00 N ATOM 1438 CA LEU A 90 31.688 46.944 2.739 1.00 0.00 C ATOM 1439 C LEU A 90 32.684 47.710 3.613 1.00 0.00 C ATOM 1440 O LEU A 90 32.812 48.932 3.507 1.00 0.00 O ATOM 1441 CB LEU A 90 30.248 47.176 3.237 1.00 0.00 C ATOM 1442 CG LEU A 90 29.904 46.610 4.623 1.00 0.00 C ATOM 1443 CD1 LEU A 90 28.697 47.328 5.201 1.00 0.00 C ATOM 1444 CD2 LEU A 90 29.615 45.118 4.545 1.00 0.00 C ATOM 0 H LEU A 90 32.256 45.108 3.591 1.00 0.00 H new ATOM 0 HA LEU A 90 31.767 47.327 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 90 30.060 48.250 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.561 46.741 2.511 1.00 0.00 H new ATOM 0 HG LEU A 90 30.766 46.768 5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 90 28.465 46.916 6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 90 28.917 48.391 5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 90 27.842 47.192 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 90 29.374 44.742 5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 90 28.771 44.945 3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 90 30.493 44.597 4.162 1.00 0.00 H new ATOM 1456 N ARG A 91 33.381 46.992 4.482 1.00 0.00 N ATOM 1457 CA ARG A 91 34.372 47.604 5.356 1.00 0.00 C ATOM 1458 C ARG A 91 35.741 47.623 4.680 1.00 0.00 C ATOM 1459 O ARG A 91 36.412 48.658 4.631 1.00 0.00 O ATOM 1460 CB ARG A 91 34.451 46.838 6.679 1.00 0.00 C ATOM 1461 CG ARG A 91 35.346 47.497 7.710 1.00 0.00 C ATOM 1462 CD ARG A 91 35.469 46.648 8.960 1.00 0.00 C ATOM 1463 NE ARG A 91 36.223 47.329 10.008 1.00 0.00 N ATOM 1464 CZ ARG A 91 37.253 46.787 10.656 1.00 0.00 C ATOM 1465 NH1 ARG A 91 37.681 45.568 10.345 1.00 0.00 N ATOM 1466 NH2 ARG A 91 37.863 47.476 11.611 1.00 0.00 N ATOM 0 H ARG A 91 33.279 45.984 4.601 1.00 0.00 H new ATOM 0 HA ARG A 91 34.069 48.631 5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 91 33.447 46.739 7.092 1.00 0.00 H new ATOM 0 HB3 ARG A 91 34.817 45.830 6.484 1.00 0.00 H new ATOM 0 HG2 ARG A 91 36.335 47.663 7.283 1.00 0.00 H new ATOM 0 HG3 ARG A 91 34.943 48.476 7.971 1.00 0.00 H new ATOM 0 HD2 ARG A 91 34.474 46.401 9.331 1.00 0.00 H new ATOM 0 HD3 ARG A 91 35.960 45.707 8.713 1.00 0.00 H new ATOM 0 HE ARG A 91 35.944 48.277 10.259 1.00 0.00 H new ATOM 0 HH11 ARG A 91 37.220 45.039 9.605 1.00 0.00 H new ATOM 0 HH12 ARG A 91 38.470 45.161 10.847 1.00 0.00 H new ATOM 0 HH21 ARG A 91 37.543 48.416 11.846 1.00 0.00 H new ATOM 0 HH22 ARG A 91 38.652 47.066 12.111 1.00 0.00 H new ATOM 1480 N LEU A 92 36.145 46.468 4.168 1.00 0.00 N ATOM 1481 CA LEU A 92 37.410 46.332 3.460 1.00 0.00 C ATOM 1482 C LEU A 92 37.189 46.620 1.975 1.00 0.00 C ATOM 1483 O LEU A 92 36.127 47.120 1.597 1.00 0.00 O ATOM 1484 CB LEU A 92 37.964 44.915 3.673 1.00 0.00 C ATOM 1485 CG LEU A 92 39.429 44.698 3.281 1.00 0.00 C ATOM 1486 CD1 LEU A 92 40.351 45.530 4.155 1.00 0.00 C ATOM 1487 CD2 LEU A 92 39.791 43.223 3.378 1.00 0.00 C ATOM 0 H LEU A 92 35.608 45.603 4.231 1.00 0.00 H new ATOM 0 HA LEU A 92 38.138 47.046 3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 92 37.849 44.656 4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 92 37.350 44.217 3.104 1.00 0.00 H new ATOM 0 HG LEU A 92 39.557 45.021 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 92 41.386 45.359 3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 92 40.109 46.586 4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 92 40.221 45.242 5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 92 40.835 43.085 3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 92 39.643 42.879 4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 92 39.155 42.647 2.706 1.00 0.00 H new ATOM 1499 N ALA A 93 38.187 46.314 1.140 1.00 0.00 N ATOM 1500 CA ALA A 93 38.107 46.541 -0.303 1.00 0.00 C ATOM 1501 C ALA A 93 37.994 48.029 -0.609 1.00 0.00 C ATOM 1502 O ALA A 93 37.372 48.432 -1.592 1.00 0.00 O ATOM 1503 CB ALA A 93 36.942 45.770 -0.910 1.00 0.00 C ATOM 0 H ALA A 93 39.069 45.904 1.446 1.00 0.00 H new ATOM 0 HA ALA A 93 39.027 46.171 -0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 93 36.903 45.955 -1.984 1.00 0.00 H new ATOM 0 HB2 ALA A 93 37.078 44.704 -0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 93 36.010 46.099 -0.451 1.00 0.00 H new ATOM 1509 N SER A 94 38.632 48.835 0.226 1.00 0.00 N ATOM 1510 CA SER A 94 38.601 50.279 0.071 1.00 0.00 C ATOM 1511 C SER A 94 39.908 50.754 -0.566 1.00 0.00 C ATOM 1512 O SER A 94 40.165 51.953 -0.691 1.00 0.00 O ATOM 1513 CB SER A 94 38.385 50.945 1.436 1.00 0.00 C ATOM 1514 OG SER A 94 38.047 52.320 1.307 1.00 0.00 O ATOM 0 H SER A 94 39.180 48.510 1.022 1.00 0.00 H new ATOM 0 HA SER A 94 37.774 50.560 -0.581 1.00 0.00 H new ATOM 0 HB2 SER A 94 37.591 50.425 1.972 1.00 0.00 H new ATOM 0 HB3 SER A 94 39.291 50.848 2.035 1.00 0.00 H new ATOM 0 HG SER A 94 38.592 52.726 0.601 1.00 0.00 H new ATOM 1520 N ALA A 95 40.733 49.797 -0.966 1.00 0.00 N ATOM 1521 CA ALA A 95 41.999 50.098 -1.608 1.00 0.00 C ATOM 1522 C ALA A 95 41.832 50.159 -3.119 1.00 0.00 C ATOM 1523 O ALA A 95 40.899 49.573 -3.675 1.00 0.00 O ATOM 1524 CB ALA A 95 43.046 49.057 -1.233 1.00 0.00 C ATOM 0 H ALA A 95 40.544 48.801 -0.855 1.00 0.00 H new ATOM 0 HA ALA A 95 42.337 51.074 -1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 95 43.990 49.297 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 95 43.188 49.057 -0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 95 42.711 48.071 -1.555 1.00 0.00 H new ATOM 1530 N TYR A 96 42.728 50.877 -3.775 1.00 0.00 N ATOM 1531 CA TYR A 96 42.734 50.952 -5.224 1.00 0.00 C ATOM 1532 C TYR A 96 43.847 50.086 -5.782 1.00 0.00 C ATOM 1533 O TYR A 96 44.977 50.120 -5.296 1.00 0.00 O ATOM 1534 CB TYR A 96 42.894 52.398 -5.692 1.00 0.00 C ATOM 1535 CG TYR A 96 41.608 53.186 -5.651 1.00 0.00 C ATOM 1536 CD1 TYR A 96 41.167 53.795 -4.480 1.00 0.00 C ATOM 1537 CD2 TYR A 96 40.830 53.316 -6.791 1.00 0.00 C ATOM 1538 CE1 TYR A 96 39.983 54.508 -4.451 1.00 0.00 C ATOM 1539 CE2 TYR A 96 39.650 54.029 -6.771 1.00 0.00 C ATOM 1540 CZ TYR A 96 39.230 54.622 -5.600 1.00 0.00 C ATOM 1541 OH TYR A 96 38.047 55.323 -5.581 1.00 0.00 O ATOM 0 H TYR A 96 43.464 51.419 -3.323 1.00 0.00 H new ATOM 0 HA TYR A 96 41.779 50.582 -5.596 1.00 0.00 H new ATOM 0 HB2 TYR A 96 43.636 52.895 -5.067 1.00 0.00 H new ATOM 0 HB3 TYR A 96 43.282 52.402 -6.711 1.00 0.00 H new ATOM 0 HD1 TYR A 96 41.759 53.709 -3.580 1.00 0.00 H new ATOM 0 HD2 TYR A 96 41.154 52.851 -7.710 1.00 0.00 H new ATOM 0 HE1 TYR A 96 39.650 54.972 -3.535 1.00 0.00 H new ATOM 0 HE2 TYR A 96 39.057 54.122 -7.669 1.00 0.00 H new ATOM 0 HH TYR A 96 37.643 55.307 -6.474 1.00 0.00 H new ATOM 1551 N PHE A 97 43.511 49.291 -6.783 1.00 0.00 N ATOM 1552 CA PHE A 97 44.477 48.399 -7.402 1.00 0.00 C ATOM 1553 C PHE A 97 45.062 49.041 -8.650 1.00 0.00 C ATOM 1554 O PHE A 97 46.236 49.415 -8.679 1.00 0.00 O ATOM 1555 CB PHE A 97 43.816 47.063 -7.754 1.00 0.00 C ATOM 1556 CG PHE A 97 43.163 46.387 -6.579 1.00 0.00 C ATOM 1557 CD1 PHE A 97 43.903 45.594 -5.717 1.00 0.00 C ATOM 1558 CD2 PHE A 97 41.806 46.547 -6.340 1.00 0.00 C ATOM 1559 CE1 PHE A 97 43.302 44.975 -4.638 1.00 0.00 C ATOM 1560 CE2 PHE A 97 41.203 45.930 -5.261 1.00 0.00 C ATOM 1561 CZ PHE A 97 41.950 45.143 -4.408 1.00 0.00 C ATOM 0 H PHE A 97 42.575 49.245 -7.185 1.00 0.00 H new ATOM 0 HA PHE A 97 45.284 48.213 -6.693 1.00 0.00 H new ATOM 0 HB2 PHE A 97 43.068 47.230 -8.529 1.00 0.00 H new ATOM 0 HB3 PHE A 97 44.567 46.395 -8.176 1.00 0.00 H new ATOM 0 HD1 PHE A 97 44.960 45.458 -5.890 1.00 0.00 H new ATOM 0 HD2 PHE A 97 41.215 47.160 -7.004 1.00 0.00 H new ATOM 0 HE1 PHE A 97 43.890 44.359 -3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 97 40.146 46.064 -5.085 1.00 0.00 H new ATOM 0 HZ PHE A 97 41.480 44.660 -3.564 1.00 0.00 H new ATOM 1571 N ALA A 98 44.236 49.179 -9.672 1.00 0.00 N ATOM 1572 CA ALA A 98 44.656 49.799 -10.914 1.00 0.00 C ATOM 1573 C ALA A 98 43.534 50.648 -11.486 1.00 0.00 C ATOM 1574 O ALA A 98 42.386 50.207 -11.549 1.00 0.00 O ATOM 1575 CB ALA A 98 45.082 48.740 -11.918 1.00 0.00 C ATOM 0 H ALA A 98 43.265 48.868 -9.665 1.00 0.00 H new ATOM 0 HA ALA A 98 45.510 50.444 -10.708 1.00 0.00 H new ATOM 0 HB1 ALA A 98 45.394 49.222 -12.845 1.00 0.00 H new ATOM 0 HB2 ALA A 98 45.913 48.165 -11.510 1.00 0.00 H new ATOM 0 HB3 ALA A 98 44.244 48.073 -12.120 1.00 0.00 H new ATOM 1581 N LYS A 99 43.871 51.868 -11.886 1.00 0.00 N ATOM 1582 CA LYS A 99 42.908 52.779 -12.499 1.00 0.00 C ATOM 1583 C LYS A 99 42.391 52.210 -13.816 1.00 0.00 C ATOM 1584 O LYS A 99 41.213 52.358 -14.142 1.00 0.00 O ATOM 1585 CB LYS A 99 43.563 54.142 -12.755 1.00 0.00 C ATOM 1586 CG LYS A 99 42.674 55.124 -13.507 1.00 0.00 C ATOM 1587 CD LYS A 99 43.440 56.371 -13.922 1.00 0.00 C ATOM 1588 CE LYS A 99 44.608 56.034 -14.843 1.00 0.00 C ATOM 1589 NZ LYS A 99 44.160 55.408 -16.118 1.00 0.00 N ATOM 0 H LYS A 99 44.811 52.253 -11.796 1.00 0.00 H new ATOM 0 HA LYS A 99 42.069 52.900 -11.814 1.00 0.00 H new ATOM 0 HB2 LYS A 99 43.847 54.583 -11.799 1.00 0.00 H new ATOM 0 HB3 LYS A 99 44.482 53.992 -13.322 1.00 0.00 H new ATOM 0 HG2 LYS A 99 42.262 54.638 -14.392 1.00 0.00 H new ATOM 0 HG3 LYS A 99 41.831 55.407 -12.877 1.00 0.00 H new ATOM 0 HD2 LYS A 99 42.765 57.061 -14.428 1.00 0.00 H new ATOM 0 HD3 LYS A 99 43.812 56.882 -13.034 1.00 0.00 H new ATOM 0 HE2 LYS A 99 45.167 56.943 -15.064 1.00 0.00 H new ATOM 0 HE3 LYS A 99 45.290 55.357 -14.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 44.989 55.181 -16.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 43.634 54.535 -15.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 43.544 56.070 -16.632 1.00 0.00 H new ATOM 1603 N ALA A 100 43.300 51.555 -14.548 1.00 0.00 N ATOM 1604 CA ALA A 100 43.045 51.041 -15.895 1.00 0.00 C ATOM 1605 C ALA A 100 43.044 52.186 -16.900 1.00 0.00 C ATOM 1606 O ALA A 100 42.509 53.264 -16.633 1.00 0.00 O ATOM 1607 CB ALA A 100 41.748 50.241 -15.968 1.00 0.00 C ATOM 0 H ALA A 100 44.245 51.366 -14.215 1.00 0.00 H new ATOM 0 HA ALA A 100 43.851 50.352 -16.148 1.00 0.00 H new ATOM 0 HB1 ALA A 100 41.600 49.880 -16.986 1.00 0.00 H new ATOM 0 HB2 ALA A 100 41.805 49.392 -15.286 1.00 0.00 H new ATOM 0 HB3 ALA A 100 40.911 50.879 -15.684 1.00 0.00 H new ATOM 1613 N GLU A 101 43.675 51.965 -18.039 1.00 0.00 N ATOM 1614 CA GLU A 101 43.775 52.996 -19.054 1.00 0.00 C ATOM 1615 C GLU A 101 42.523 53.011 -19.918 1.00 0.00 C ATOM 1616 O GLU A 101 42.363 52.191 -20.824 1.00 0.00 O ATOM 1617 CB GLU A 101 45.021 52.785 -19.920 1.00 0.00 C ATOM 1618 CG GLU A 101 46.322 52.743 -19.128 1.00 0.00 C ATOM 1619 CD GLU A 101 46.582 54.013 -18.341 1.00 0.00 C ATOM 1620 OE1 GLU A 101 47.178 54.956 -18.900 1.00 0.00 O ATOM 1621 OE2 GLU A 101 46.203 54.070 -17.152 1.00 0.00 O ATOM 0 H GLU A 101 44.125 51.083 -18.283 1.00 0.00 H new ATOM 0 HA GLU A 101 43.865 53.961 -18.555 1.00 0.00 H new ATOM 0 HB2 GLU A 101 44.913 51.852 -20.473 1.00 0.00 H new ATOM 0 HB3 GLU A 101 45.080 53.587 -20.656 1.00 0.00 H new ATOM 0 HG2 GLU A 101 46.295 51.897 -18.442 1.00 0.00 H new ATOM 0 HG3 GLU A 101 47.152 52.571 -19.813 1.00 0.00 H new ATOM 1628 N PHE A 102 41.615 53.916 -19.597 1.00 0.00 N ATOM 1629 CA PHE A 102 40.413 54.100 -20.387 1.00 0.00 C ATOM 1630 C PHE A 102 40.695 55.082 -21.514 1.00 0.00 C ATOM 1631 O PHE A 102 41.701 55.793 -21.474 1.00 0.00 O ATOM 1632 CB PHE A 102 39.267 54.620 -19.516 1.00 0.00 C ATOM 1633 CG PHE A 102 38.858 53.676 -18.422 1.00 0.00 C ATOM 1634 CD1 PHE A 102 38.106 52.548 -18.707 1.00 0.00 C ATOM 1635 CD2 PHE A 102 39.224 53.916 -17.109 1.00 0.00 C ATOM 1636 CE1 PHE A 102 37.727 51.679 -17.703 1.00 0.00 C ATOM 1637 CE2 PHE A 102 38.848 53.051 -16.100 1.00 0.00 C ATOM 1638 CZ PHE A 102 38.099 51.929 -16.398 1.00 0.00 C ATOM 0 H PHE A 102 41.689 54.537 -18.791 1.00 0.00 H new ATOM 0 HA PHE A 102 40.116 53.138 -20.805 1.00 0.00 H new ATOM 0 HB2 PHE A 102 39.564 55.570 -19.071 1.00 0.00 H new ATOM 0 HB3 PHE A 102 38.404 54.821 -20.150 1.00 0.00 H new ATOM 0 HD1 PHE A 102 37.813 52.346 -19.727 1.00 0.00 H new ATOM 0 HD2 PHE A 102 39.811 54.791 -16.870 1.00 0.00 H new ATOM 0 HE1 PHE A 102 37.140 50.804 -17.939 1.00 0.00 H new ATOM 0 HE2 PHE A 102 39.139 53.251 -15.079 1.00 0.00 H new ATOM 0 HZ PHE A 102 37.805 51.249 -15.612 1.00 0.00 H new ATOM 1648 N ASP A 103 39.797 55.119 -22.497 1.00 0.00 N ATOM 1649 CA ASP A 103 39.925 56.007 -23.658 1.00 0.00 C ATOM 1650 C ASP A 103 41.072 55.534 -24.550 1.00 0.00 C ATOM 1651 O ASP A 103 41.869 56.335 -25.046 1.00 0.00 O ATOM 1652 CB ASP A 103 40.144 57.460 -23.210 1.00 0.00 C ATOM 1653 CG ASP A 103 39.736 58.479 -24.259 1.00 0.00 C ATOM 1654 OD1 ASP A 103 38.532 58.819 -24.320 1.00 0.00 O ATOM 1655 OD2 ASP A 103 40.604 58.965 -25.010 1.00 0.00 O ATOM 0 H ASP A 103 38.960 54.536 -22.514 1.00 0.00 H new ATOM 0 HA ASP A 103 38.999 55.971 -24.232 1.00 0.00 H new ATOM 0 HB2 ASP A 103 39.576 57.641 -22.297 1.00 0.00 H new ATOM 0 HB3 ASP A 103 41.196 57.603 -22.965 1.00 0.00 H new ATOM 1660 N ARG A 104 41.123 54.212 -24.754 1.00 0.00 N ATOM 1661 CA ARG A 104 42.152 53.553 -25.566 1.00 0.00 C ATOM 1662 C ARG A 104 43.499 53.513 -24.853 1.00 0.00 C ATOM 1663 O ARG A 104 43.718 54.203 -23.859 1.00 0.00 O ATOM 1664 CB ARG A 104 42.309 54.220 -26.937 1.00 0.00 C ATOM 1665 CG ARG A 104 41.167 53.938 -27.891 1.00 0.00 C ATOM 1666 CD ARG A 104 41.332 54.713 -29.185 1.00 0.00 C ATOM 1667 NE ARG A 104 41.239 56.152 -28.962 1.00 0.00 N ATOM 1668 CZ ARG A 104 41.640 57.076 -29.828 1.00 0.00 C ATOM 1669 NH1 ARG A 104 42.209 56.725 -30.973 1.00 0.00 N ATOM 1670 NH2 ARG A 104 41.478 58.355 -29.536 1.00 0.00 N ATOM 0 H ARG A 104 40.444 53.564 -24.356 1.00 0.00 H new ATOM 0 HA ARG A 104 41.812 52.528 -25.717 1.00 0.00 H new ATOM 0 HB2 ARG A 104 42.396 55.298 -26.798 1.00 0.00 H new ATOM 0 HB3 ARG A 104 43.240 53.881 -27.390 1.00 0.00 H new ATOM 0 HG2 ARG A 104 41.124 52.870 -28.106 1.00 0.00 H new ATOM 0 HG3 ARG A 104 40.221 54.207 -27.421 1.00 0.00 H new ATOM 0 HD2 ARG A 104 42.297 54.475 -29.633 1.00 0.00 H new ATOM 0 HD3 ARG A 104 40.566 54.404 -29.896 1.00 0.00 H new ATOM 0 HE ARG A 104 40.838 56.471 -28.080 1.00 0.00 H new ATOM 0 HH11 ARG A 104 42.342 55.738 -31.195 1.00 0.00 H new ATOM 0 HH12 ARG A 104 42.514 57.442 -31.632 1.00 0.00 H new ATOM 0 HH21 ARG A 104 41.048 58.626 -28.652 1.00 0.00 H new ATOM 0 HH22 ARG A 104 41.783 59.071 -30.195 1.00 0.00 H new ATOM 1684 N LEU A 105 44.398 52.686 -25.370 1.00 0.00 N ATOM 1685 CA LEU A 105 45.734 52.556 -24.815 1.00 0.00 C ATOM 1686 C LEU A 105 46.704 53.473 -25.550 1.00 0.00 C ATOM 1687 O LEU A 105 47.109 53.204 -26.684 1.00 0.00 O ATOM 1688 CB LEU A 105 46.211 51.101 -24.895 1.00 0.00 C ATOM 1689 CG LEU A 105 47.595 50.832 -24.305 1.00 0.00 C ATOM 1690 CD1 LEU A 105 47.619 51.152 -22.819 1.00 0.00 C ATOM 1691 CD2 LEU A 105 47.998 49.389 -24.549 1.00 0.00 C ATOM 0 H LEU A 105 44.222 52.092 -26.180 1.00 0.00 H new ATOM 0 HA LEU A 105 45.702 52.851 -23.766 1.00 0.00 H new ATOM 0 HB2 LEU A 105 45.486 50.470 -24.380 1.00 0.00 H new ATOM 0 HB3 LEU A 105 46.215 50.795 -25.941 1.00 0.00 H new ATOM 0 HG LEU A 105 48.315 51.483 -24.802 1.00 0.00 H new ATOM 0 HD11 LEU A 105 48.614 50.953 -22.420 1.00 0.00 H new ATOM 0 HD12 LEU A 105 47.371 52.203 -22.669 1.00 0.00 H new ATOM 0 HD13 LEU A 105 46.889 50.530 -22.301 1.00 0.00 H new ATOM 0 HD21 LEU A 105 48.986 49.210 -24.124 1.00 0.00 H new ATOM 0 HD22 LEU A 105 47.274 48.724 -24.077 1.00 0.00 H new ATOM 0 HD23 LEU A 105 48.024 49.195 -25.621 1.00 0.00 H new ATOM 1703 N TRP A 106 47.072 54.556 -24.893 1.00 0.00 N ATOM 1704 CA TRP A 106 48.014 55.522 -25.445 1.00 0.00 C ATOM 1705 C TRP A 106 49.461 55.075 -25.239 1.00 0.00 C ATOM 1706 O TRP A 106 50.344 55.905 -25.028 1.00 0.00 O ATOM 1707 CB TRP A 106 47.787 56.895 -24.805 1.00 0.00 C ATOM 1708 CG TRP A 106 47.223 56.824 -23.416 1.00 0.00 C ATOM 1709 CD1 TRP A 106 47.785 56.228 -22.318 1.00 0.00 C ATOM 1710 CD2 TRP A 106 45.976 57.377 -22.976 1.00 0.00 C ATOM 1711 NE1 TRP A 106 46.955 56.363 -21.233 1.00 0.00 N ATOM 1712 CE2 TRP A 106 45.841 57.068 -21.611 1.00 0.00 C ATOM 1713 CE3 TRP A 106 44.956 58.098 -23.607 1.00 0.00 C ATOM 1714 CZ2 TRP A 106 44.734 57.458 -20.865 1.00 0.00 C ATOM 1715 CZ3 TRP A 106 43.857 58.487 -22.863 1.00 0.00 C ATOM 1716 CH2 TRP A 106 43.753 58.164 -21.504 1.00 0.00 C ATOM 0 H TRP A 106 46.729 54.795 -23.962 1.00 0.00 H new ATOM 0 HA TRP A 106 47.838 55.590 -26.519 1.00 0.00 H new ATOM 0 HB2 TRP A 106 48.734 57.434 -24.777 1.00 0.00 H new ATOM 0 HB3 TRP A 106 47.110 57.472 -25.434 1.00 0.00 H new ATOM 0 HD1 TRP A 106 48.741 55.726 -22.308 1.00 0.00 H new ATOM 0 HE1 TRP A 106 47.137 55.998 -20.298 1.00 0.00 H new ATOM 0 HE3 TRP A 106 45.026 58.346 -24.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 44.652 57.212 -19.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 43.066 59.049 -23.338 1.00 0.00 H new ATOM 0 HH2 TRP A 106 42.881 58.479 -20.950 1.00 0.00 H new ATOM 1727 N LYS A 107 49.685 53.765 -25.343 1.00 0.00 N ATOM 1728 CA LYS A 107 51.005 53.159 -25.157 1.00 0.00 C ATOM 1729 C LYS A 107 51.497 53.321 -23.721 1.00 0.00 C ATOM 1730 O LYS A 107 51.949 54.392 -23.316 1.00 0.00 O ATOM 1731 CB LYS A 107 52.033 53.738 -26.132 1.00 0.00 C ATOM 1732 CG LYS A 107 51.719 53.456 -27.592 1.00 0.00 C ATOM 1733 CD LYS A 107 52.791 54.016 -28.516 1.00 0.00 C ATOM 1734 CE LYS A 107 52.930 55.523 -28.367 1.00 0.00 C ATOM 1735 NZ LYS A 107 51.687 56.234 -28.766 1.00 0.00 N ATOM 0 H LYS A 107 48.952 53.090 -25.560 1.00 0.00 H new ATOM 0 HA LYS A 107 50.895 52.095 -25.366 1.00 0.00 H new ATOM 0 HB2 LYS A 107 52.093 54.816 -25.984 1.00 0.00 H new ATOM 0 HB3 LYS A 107 53.015 53.329 -25.895 1.00 0.00 H new ATOM 0 HG2 LYS A 107 51.633 52.380 -27.745 1.00 0.00 H new ATOM 0 HG3 LYS A 107 50.754 53.893 -27.848 1.00 0.00 H new ATOM 0 HD2 LYS A 107 53.746 53.539 -28.297 1.00 0.00 H new ATOM 0 HD3 LYS A 107 52.544 53.774 -29.550 1.00 0.00 H new ATOM 0 HE2 LYS A 107 53.171 55.765 -27.332 1.00 0.00 H new ATOM 0 HE3 LYS A 107 53.762 55.874 -28.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 51.867 57.258 -28.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 51.386 55.907 -29.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 50.936 56.036 -28.074 1.00 0.00 H new ATOM 1749 N LYS A 108 51.408 52.243 -22.961 1.00 0.00 N ATOM 1750 CA LYS A 108 51.827 52.244 -21.571 1.00 0.00 C ATOM 1751 C LYS A 108 52.633 50.987 -21.285 1.00 0.00 C ATOM 1752 O LYS A 108 52.016 49.938 -21.011 1.00 0.00 O ATOM 1753 CB LYS A 108 50.608 52.309 -20.650 1.00 0.00 C ATOM 1754 CG LYS A 108 50.957 52.319 -19.172 1.00 0.00 C ATOM 1755 CD LYS A 108 49.724 52.096 -18.317 1.00 0.00 C ATOM 1756 CE LYS A 108 50.071 51.983 -16.845 1.00 0.00 C ATOM 1757 NZ LYS A 108 51.109 50.945 -16.595 1.00 0.00 N ATOM 1758 OXT LYS A 108 53.876 51.040 -21.370 1.00 0.00 O ATOM 0 H LYS A 108 51.045 51.348 -23.288 1.00 0.00 H new ATOM 0 HA LYS A 108 52.447 53.121 -21.384 1.00 0.00 H new ATOM 0 HB2 LYS A 108 50.034 53.206 -20.884 1.00 0.00 H new ATOM 0 HB3 LYS A 108 49.963 51.455 -20.856 1.00 0.00 H new ATOM 0 HG2 LYS A 108 51.693 51.542 -18.964 1.00 0.00 H new ATOM 0 HG3 LYS A 108 51.417 53.272 -18.910 1.00 0.00 H new ATOM 0 HD2 LYS A 108 49.026 52.921 -18.464 1.00 0.00 H new ATOM 0 HD3 LYS A 108 49.216 51.188 -18.641 1.00 0.00 H new ATOM 0 HE2 LYS A 108 50.427 52.947 -16.481 1.00 0.00 H new ATOM 0 HE3 LYS A 108 49.172 51.741 -16.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 51.102 50.682 -15.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 50.907 50.105 -17.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 52.045 51.322 -16.847 1.00 0.00 H new TER 1772 LYS A 108