USER MOD reduce.3.24.130724 H: found=0, std=0, add=883, rem=0, adj=26 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= -0.998 X(o=-1,f=-0.83) USER MOD Set 1.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 43 THR OG1 : rot 136:sc= 1.34 USER MOD Set 2.2: A 46 THR OG1 : rot 26:sc= 1.11 USER MOD Set 3.1: A 23 GLN :FLIP amide:sc= -0.087 F(o=-0.88,f=0.7) USER MOD Set 3.2: A 32 THR OG1 : rot 75:sc= 0.783 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.117 (180deg=-0.022) 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 X(o=0,f=-0.029) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN :FLIP amide:sc= -1.04 F(o=-5.7!,f=-1) USER MOD Single : A 18 MET CE :methyl -156:sc= -0.209 (180deg=-0.868) USER MOD Single : A 22 SER OG : rot 80:sc= 0.373 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.373 USER MOD Single : A 29 GLN : amide:sc= -1.81! X(o=-1.8!,f=-1.7) USER MOD Single : A 34 CYS SG : rot 78:sc= 0.144 USER MOD Single : A 35 SER OG : rot -84:sc= 1.25 USER MOD Single : A 39 LYS NZ :NH3+ 169:sc=-0.00771 (180deg=-0.151) USER MOD Single : A 42 CYS SG : rot 170:sc= -0.198 USER MOD Single : A 53 GLN : amide:sc= 0.0173 X(o=0.017,f=-0.47) USER MOD Single : A 66 THR OG1 : rot -167:sc= 1.27 USER MOD Single : A 67 THR OG1 : rot 1:sc= 0.915 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0191 F(o=-1.2!,f=-0.019) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.661 K(o=0.66,f=-3.7!) USER MOD Single : A 86 SER OG : rot 180:sc= 0.139 USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 94 SER OG : rot 48:sc= 0.322 USER MOD Single : A 96 TYR OH : rot -126:sc= 1.01 USER MOD Single : A 99 LYS NZ :NH3+ 171:sc= -0.0101 (180deg=-0.115) USER MOD Single : A 107 LYS NZ :NH3+ 166:sc= -0.036 (180deg=-0.272) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.011 -18.812 6.616 1.00 0.00 N ATOM 2 CA MET A 1 0.018 -20.193 7.154 1.00 0.00 C ATOM 3 C MET A 1 1.361 -20.504 7.786 1.00 0.00 C ATOM 4 O MET A 1 2.282 -19.686 7.740 1.00 0.00 O ATOM 5 CB MET A 1 -0.262 -21.214 6.044 1.00 0.00 C ATOM 6 CG MET A 1 -1.654 -21.123 5.446 1.00 0.00 C ATOM 7 SD MET A 1 -1.935 -22.359 4.167 1.00 0.00 S ATOM 8 CE MET A 1 -3.616 -21.966 3.692 1.00 0.00 C ATOM 0 H1 MET A 1 -0.853 -18.323 6.927 1.00 0.00 H new ATOM 0 H2 MET A 1 0.845 -18.299 6.966 1.00 0.00 H new ATOM 0 H3 MET A 1 0.036 -18.844 5.577 1.00 0.00 H new ATOM 0 HA MET A 1 -0.767 -20.262 7.907 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.471 -21.079 5.249 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.117 -22.217 6.445 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.395 -21.247 6.236 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.801 -20.129 5.025 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.940 -22.646 2.904 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.272 -22.072 4.556 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.660 -20.940 3.327 1.00 0.00 H new ATOM 20 N THR A 2 1.466 -21.680 8.393 1.00 0.00 N ATOM 21 CA THR A 2 2.733 -22.157 8.914 1.00 0.00 C ATOM 22 C THR A 2 3.655 -22.524 7.753 1.00 0.00 C ATOM 23 O THR A 2 3.718 -23.680 7.327 1.00 0.00 O ATOM 24 CB THR A 2 2.538 -23.380 9.836 1.00 0.00 C ATOM 25 OG1 THR A 2 1.431 -23.155 10.721 1.00 0.00 O ATOM 26 CG2 THR A 2 3.786 -23.644 10.659 1.00 0.00 C ATOM 0 H THR A 2 0.684 -22.320 8.535 1.00 0.00 H new ATOM 0 HA THR A 2 3.182 -21.359 9.506 1.00 0.00 H new ATOM 0 HB THR A 2 2.340 -24.248 9.207 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.312 -23.936 11.301 1.00 0.00 H new ATOM 0 HG21 THR A 2 3.623 -24.510 11.300 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.627 -23.839 9.993 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.006 -22.773 11.276 1.00 0.00 H new ATOM 34 N LYS A 3 4.327 -21.515 7.215 1.00 0.00 N ATOM 35 CA LYS A 3 5.151 -21.681 6.030 1.00 0.00 C ATOM 36 C LYS A 3 6.275 -20.654 6.021 1.00 0.00 C ATOM 37 O LYS A 3 7.455 -21.007 5.992 1.00 0.00 O ATOM 38 CB LYS A 3 4.281 -21.531 4.774 1.00 0.00 C ATOM 39 CG LYS A 3 5.043 -21.678 3.466 1.00 0.00 C ATOM 40 CD LYS A 3 5.692 -23.045 3.333 1.00 0.00 C ATOM 41 CE LYS A 3 4.674 -24.169 3.449 1.00 0.00 C ATOM 42 NZ LYS A 3 5.283 -25.492 3.166 1.00 0.00 N ATOM 0 H LYS A 3 4.315 -20.565 7.586 1.00 0.00 H new ATOM 0 HA LYS A 3 5.595 -22.676 6.039 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.487 -22.277 4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.800 -20.553 4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.362 -21.518 2.630 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.810 -20.906 3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.201 -23.114 2.371 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.452 -23.163 4.105 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.248 -24.172 4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.853 -23.990 2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.559 -26.233 3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.668 -25.498 2.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.050 -25.674 3.845 1.00 0.00 H new ATOM 56 N ASN A 4 5.905 -19.384 6.044 1.00 0.00 N ATOM 57 CA ASN A 4 6.883 -18.312 6.112 1.00 0.00 C ATOM 58 C ASN A 4 6.968 -17.779 7.537 1.00 0.00 C ATOM 59 O ASN A 4 6.112 -17.014 7.976 1.00 0.00 O ATOM 60 CB ASN A 4 6.529 -17.183 5.132 1.00 0.00 C ATOM 61 CG ASN A 4 7.535 -16.042 5.154 1.00 0.00 C ATOM 62 OD1 ASN A 4 7.378 -15.072 5.895 1.00 0.00 O ATOM 63 ND2 ASN A 4 8.574 -16.145 4.335 1.00 0.00 N ATOM 0 H ASN A 4 4.935 -19.071 6.017 1.00 0.00 H new ATOM 0 HA ASN A 4 7.856 -18.710 5.824 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.471 -17.590 4.123 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.541 -16.794 5.376 1.00 0.00 H new ATOM 0 HD21 ASN A 4 9.275 -15.405 4.306 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.671 -16.964 3.735 1.00 0.00 H new ATOM 70 N THR A 5 7.971 -18.236 8.266 1.00 0.00 N ATOM 71 CA THR A 5 8.201 -17.776 9.622 1.00 0.00 C ATOM 72 C THR A 5 9.531 -17.033 9.699 1.00 0.00 C ATOM 73 O THR A 5 10.594 -17.625 9.515 1.00 0.00 O ATOM 74 CB THR A 5 8.199 -18.955 10.615 1.00 0.00 C ATOM 75 OG1 THR A 5 6.994 -19.715 10.456 1.00 0.00 O ATOM 76 CG2 THR A 5 8.298 -18.462 12.052 1.00 0.00 C ATOM 0 H THR A 5 8.643 -18.930 7.938 1.00 0.00 H new ATOM 0 HA THR A 5 7.391 -17.099 9.895 1.00 0.00 H new ATOM 0 HB THR A 5 9.066 -19.581 10.404 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.995 -20.465 11.087 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.294 -19.315 12.730 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.223 -17.900 12.181 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.448 -17.818 12.275 1.00 0.00 H new ATOM 84 N ARG A 6 9.468 -15.740 9.961 1.00 0.00 N ATOM 85 CA ARG A 6 10.658 -14.908 9.951 1.00 0.00 C ATOM 86 C ARG A 6 10.780 -14.140 11.261 1.00 0.00 C ATOM 87 O ARG A 6 10.040 -14.397 12.213 1.00 0.00 O ATOM 88 CB ARG A 6 10.606 -13.937 8.762 1.00 0.00 C ATOM 89 CG ARG A 6 9.490 -12.904 8.860 1.00 0.00 C ATOM 90 CD ARG A 6 9.396 -12.047 7.606 1.00 0.00 C ATOM 91 NE ARG A 6 10.682 -11.451 7.245 1.00 0.00 N ATOM 92 CZ ARG A 6 10.836 -10.493 6.332 1.00 0.00 C ATOM 93 NH1 ARG A 6 9.782 -9.968 5.716 1.00 0.00 N ATOM 94 NH2 ARG A 6 12.054 -10.058 6.043 1.00 0.00 N ATOM 0 H ARG A 6 8.605 -15.243 10.183 1.00 0.00 H new ATOM 0 HA ARG A 6 11.535 -15.547 9.846 1.00 0.00 H new ATOM 0 HB2 ARG A 6 11.562 -13.419 8.686 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.479 -14.509 7.843 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.539 -13.411 9.025 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.663 -12.264 9.725 1.00 0.00 H new ATOM 0 HD2 ARG A 6 9.035 -12.657 6.778 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.662 -11.256 7.763 1.00 0.00 H new ATOM 0 HE ARG A 6 11.516 -11.791 7.724 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.843 -10.298 5.941 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.912 -9.235 5.019 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.864 -10.456 6.518 1.00 0.00 H new ATOM 0 HH22 ARG A 6 12.182 -9.325 5.345 1.00 0.00 H new ATOM 108 N PHE A 7 11.729 -13.221 11.313 1.00 0.00 N ATOM 109 CA PHE A 7 11.867 -12.338 12.455 1.00 0.00 C ATOM 110 C PHE A 7 10.936 -11.150 12.285 1.00 0.00 C ATOM 111 O PHE A 7 10.800 -10.619 11.179 1.00 0.00 O ATOM 112 CB PHE A 7 13.314 -11.862 12.600 1.00 0.00 C ATOM 113 CG PHE A 7 14.300 -12.978 12.805 1.00 0.00 C ATOM 114 CD1 PHE A 7 14.393 -13.618 14.030 1.00 0.00 C ATOM 115 CD2 PHE A 7 15.132 -13.388 11.775 1.00 0.00 C ATOM 116 CE1 PHE A 7 15.297 -14.643 14.226 1.00 0.00 C ATOM 117 CE2 PHE A 7 16.040 -14.413 11.966 1.00 0.00 C ATOM 118 CZ PHE A 7 16.122 -15.041 13.192 1.00 0.00 C ATOM 0 H PHE A 7 12.416 -13.068 10.575 1.00 0.00 H new ATOM 0 HA PHE A 7 11.600 -12.883 13.360 1.00 0.00 H new ATOM 0 HB2 PHE A 7 13.594 -11.301 11.708 1.00 0.00 H new ATOM 0 HB3 PHE A 7 13.378 -11.173 13.443 1.00 0.00 H new ATOM 0 HD1 PHE A 7 13.750 -13.311 14.842 1.00 0.00 H new ATOM 0 HD2 PHE A 7 15.070 -12.901 10.813 1.00 0.00 H new ATOM 0 HE1 PHE A 7 15.359 -15.133 15.186 1.00 0.00 H new ATOM 0 HE2 PHE A 7 16.685 -14.722 11.156 1.00 0.00 H new ATOM 0 HZ PHE A 7 16.830 -15.842 13.343 1.00 0.00 H new ATOM 128 N SER A 8 10.291 -10.751 13.369 1.00 0.00 N ATOM 129 CA SER A 8 9.332 -9.660 13.331 1.00 0.00 C ATOM 130 C SER A 8 9.979 -8.380 12.805 1.00 0.00 C ATOM 131 O SER A 8 11.055 -7.983 13.262 1.00 0.00 O ATOM 132 CB SER A 8 8.757 -9.424 14.727 1.00 0.00 C ATOM 133 OG SER A 8 8.137 -10.598 15.221 1.00 0.00 O ATOM 0 H SER A 8 10.416 -11.169 14.291 1.00 0.00 H new ATOM 0 HA SER A 8 8.525 -9.936 12.652 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.552 -9.114 15.405 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.032 -8.611 14.694 1.00 0.00 H new ATOM 0 HG SER A 8 7.777 -10.426 16.116 1.00 0.00 H new ATOM 139 N PRO A 9 9.324 -7.721 11.832 1.00 0.00 N ATOM 140 CA PRO A 9 9.805 -6.462 11.247 1.00 0.00 C ATOM 141 C PRO A 9 10.087 -5.395 12.302 1.00 0.00 C ATOM 142 O PRO A 9 10.880 -4.480 12.075 1.00 0.00 O ATOM 143 CB PRO A 9 8.653 -6.026 10.339 1.00 0.00 C ATOM 144 CG PRO A 9 7.942 -7.287 9.998 1.00 0.00 C ATOM 145 CD PRO A 9 8.063 -8.168 11.211 1.00 0.00 C ATOM 0 HA PRO A 9 10.751 -6.596 10.723 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.992 -5.324 10.847 1.00 0.00 H new ATOM 0 HB3 PRO A 9 9.022 -5.525 9.444 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.896 -7.094 9.758 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.387 -7.762 9.124 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.216 -8.042 11.885 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.100 -9.223 10.940 1.00 0.00 H new ATOM 153 N GLU A 10 9.437 -5.533 13.456 1.00 0.00 N ATOM 154 CA GLU A 10 9.641 -4.627 14.581 1.00 0.00 C ATOM 155 C GLU A 10 11.119 -4.573 14.962 1.00 0.00 C ATOM 156 O GLU A 10 11.663 -3.505 15.236 1.00 0.00 O ATOM 157 CB GLU A 10 8.817 -5.089 15.788 1.00 0.00 C ATOM 158 CG GLU A 10 7.364 -5.399 15.465 1.00 0.00 C ATOM 159 CD GLU A 10 6.612 -4.213 14.898 1.00 0.00 C ATOM 160 OE1 GLU A 10 6.045 -3.429 15.685 1.00 0.00 O ATOM 161 OE2 GLU A 10 6.565 -4.071 13.658 1.00 0.00 O ATOM 0 H GLU A 10 8.758 -6.272 13.636 1.00 0.00 H new ATOM 0 HA GLU A 10 9.315 -3.631 14.283 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.282 -5.979 16.212 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.851 -4.315 16.555 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.325 -6.221 14.750 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.862 -5.740 16.371 1.00 0.00 H new ATOM 168 N VAL A 11 11.765 -5.736 14.951 1.00 0.00 N ATOM 169 CA VAL A 11 13.175 -5.838 15.309 1.00 0.00 C ATOM 170 C VAL A 11 14.043 -5.130 14.274 1.00 0.00 C ATOM 171 O VAL A 11 14.967 -4.395 14.621 1.00 0.00 O ATOM 172 CB VAL A 11 13.623 -7.313 15.429 1.00 0.00 C ATOM 173 CG1 VAL A 11 15.076 -7.413 15.878 1.00 0.00 C ATOM 174 CG2 VAL A 11 12.713 -8.071 16.386 1.00 0.00 C ATOM 0 H VAL A 11 11.332 -6.624 14.697 1.00 0.00 H new ATOM 0 HA VAL A 11 13.299 -5.357 16.279 1.00 0.00 H new ATOM 0 HB VAL A 11 13.546 -7.769 14.442 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.362 -8.462 15.953 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.717 -6.913 15.151 1.00 0.00 H new ATOM 0 HG13 VAL A 11 15.190 -6.935 16.851 1.00 0.00 H new ATOM 0 HG21 VAL A 11 13.043 -9.107 16.458 1.00 0.00 H new ATOM 0 HG22 VAL A 11 12.755 -7.607 17.372 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.689 -8.042 16.014 1.00 0.00 H new ATOM 184 N ARG A 12 13.720 -5.339 13.000 1.00 0.00 N ATOM 185 CA ARG A 12 14.467 -4.721 11.909 1.00 0.00 C ATOM 186 C ARG A 12 14.310 -3.203 11.933 1.00 0.00 C ATOM 187 O ARG A 12 15.250 -2.472 11.629 1.00 0.00 O ATOM 188 CB ARG A 12 14.013 -5.287 10.562 1.00 0.00 C ATOM 189 CG ARG A 12 14.452 -6.727 10.336 1.00 0.00 C ATOM 190 CD ARG A 12 13.884 -7.308 9.047 1.00 0.00 C ATOM 191 NE ARG A 12 14.259 -6.532 7.860 1.00 0.00 N ATOM 192 CZ ARG A 12 14.785 -7.065 6.751 1.00 0.00 C ATOM 193 NH1 ARG A 12 15.106 -8.354 6.714 1.00 0.00 N ATOM 194 NH2 ARG A 12 15.004 -6.313 5.680 1.00 0.00 N ATOM 0 H ARG A 12 12.946 -5.931 12.698 1.00 0.00 H new ATOM 0 HA ARG A 12 15.523 -4.954 12.045 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.926 -5.232 10.500 1.00 0.00 H new ATOM 0 HB3 ARG A 12 14.410 -4.663 9.761 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.541 -6.772 10.304 1.00 0.00 H new ATOM 0 HG3 ARG A 12 14.133 -7.339 11.180 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.235 -8.334 8.931 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.797 -7.349 9.120 1.00 0.00 H new ATOM 0 HE ARG A 12 14.109 -5.523 7.881 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.952 -8.942 7.533 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.507 -8.756 5.866 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.771 -5.320 5.698 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.405 -6.728 4.839 1.00 0.00 H new ATOM 208 N GLN A 13 13.124 -2.734 12.303 1.00 0.00 N ATOM 209 CA GLN A 13 12.881 -1.304 12.429 1.00 0.00 C ATOM 210 C GLN A 13 13.708 -0.725 13.572 1.00 0.00 C ATOM 211 O GLN A 13 14.356 0.309 13.415 1.00 0.00 O ATOM 212 CB GLN A 13 11.391 -1.027 12.660 1.00 0.00 C ATOM 213 CG GLN A 13 11.035 0.455 12.784 1.00 0.00 C ATOM 214 CD GLN A 13 11.103 1.222 11.468 1.00 0.00 C ATOM 215 OE1 GLN A 13 12.000 0.824 10.578 1.00 0.00 O flip ATOM 216 NE2 GLN A 13 10.359 2.182 11.261 1.00 0.00 N flip ATOM 0 H GLN A 13 12.319 -3.322 12.520 1.00 0.00 H new ATOM 0 HA GLN A 13 13.181 -0.822 11.499 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.822 -1.457 11.836 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.075 -1.541 13.568 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.028 0.543 13.192 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.711 0.922 13.500 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.679 2.462 11.968 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.423 2.697 10.383 1.00 0.00 H new ATOM 225 N ARG A 14 13.681 -1.407 14.712 1.00 0.00 N ATOM 226 CA ARG A 14 14.454 -0.995 15.880 1.00 0.00 C ATOM 227 C ARG A 14 15.944 -0.917 15.562 1.00 0.00 C ATOM 228 O ARG A 14 16.586 0.111 15.785 1.00 0.00 O ATOM 229 CB ARG A 14 14.247 -1.979 17.032 1.00 0.00 C ATOM 230 CG ARG A 14 12.876 -1.914 17.682 1.00 0.00 C ATOM 231 CD ARG A 14 12.731 -2.983 18.755 1.00 0.00 C ATOM 232 NE ARG A 14 13.840 -2.951 19.713 1.00 0.00 N ATOM 233 CZ ARG A 14 14.076 -3.903 20.618 1.00 0.00 C ATOM 234 NH1 ARG A 14 13.266 -4.949 20.716 1.00 0.00 N ATOM 235 NH2 ARG A 14 15.126 -3.811 21.426 1.00 0.00 N ATOM 0 H ARG A 14 13.129 -2.253 14.853 1.00 0.00 H new ATOM 0 HA ARG A 14 14.101 -0.005 16.169 1.00 0.00 H new ATOM 0 HB2 ARG A 14 14.411 -2.991 16.662 1.00 0.00 H new ATOM 0 HB3 ARG A 14 15.004 -1.791 17.793 1.00 0.00 H new ATOM 0 HG2 ARG A 14 12.725 -0.929 18.122 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.104 -2.047 16.924 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.789 -2.840 19.285 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.686 -3.965 18.285 1.00 0.00 H new ATOM 0 HE ARG A 14 14.471 -2.150 19.686 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.458 -5.028 20.098 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.451 -5.674 21.409 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.755 -3.011 21.356 1.00 0.00 H new ATOM 0 HH22 ARG A 14 15.304 -4.540 22.117 1.00 0.00 H new ATOM 249 N ALA A 15 16.474 -2.011 15.030 1.00 0.00 N ATOM 250 CA ALA A 15 17.902 -2.141 14.779 1.00 0.00 C ATOM 251 C ALA A 15 18.421 -1.060 13.841 1.00 0.00 C ATOM 252 O ALA A 15 19.285 -0.265 14.215 1.00 0.00 O ATOM 253 CB ALA A 15 18.203 -3.519 14.221 1.00 0.00 C ATOM 0 H ALA A 15 15.928 -2.830 14.762 1.00 0.00 H new ATOM 0 HA ALA A 15 18.419 -2.013 15.730 1.00 0.00 H new ATOM 0 HB1 ALA A 15 19.273 -3.610 14.035 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.893 -4.278 14.939 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.659 -3.660 13.287 1.00 0.00 H new ATOM 259 N VAL A 16 17.871 -1.018 12.636 1.00 0.00 N ATOM 260 CA VAL A 16 18.338 -0.095 11.608 1.00 0.00 C ATOM 261 C VAL A 16 18.239 1.357 12.074 1.00 0.00 C ATOM 262 O VAL A 16 19.151 2.154 11.842 1.00 0.00 O ATOM 263 CB VAL A 16 17.549 -0.269 10.293 1.00 0.00 C ATOM 264 CG1 VAL A 16 18.009 0.737 9.255 1.00 0.00 C ATOM 265 CG2 VAL A 16 17.707 -1.684 9.761 1.00 0.00 C ATOM 0 H VAL A 16 17.097 -1.615 12.344 1.00 0.00 H new ATOM 0 HA VAL A 16 19.385 -0.334 11.424 1.00 0.00 H new ATOM 0 HB VAL A 16 16.494 -0.091 10.502 1.00 0.00 H new ATOM 0 HG11 VAL A 16 17.440 0.597 8.336 1.00 0.00 H new ATOM 0 HG12 VAL A 16 17.848 1.747 9.631 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.070 0.590 9.051 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.144 -1.789 8.833 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.761 -1.886 9.571 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.329 -2.394 10.497 1.00 0.00 H new ATOM 275 N ARG A 17 17.145 1.690 12.750 1.00 0.00 N ATOM 276 CA ARG A 17 16.930 3.049 13.224 1.00 0.00 C ATOM 277 C ARG A 17 18.013 3.450 14.221 1.00 0.00 C ATOM 278 O ARG A 17 18.570 4.544 14.140 1.00 0.00 O ATOM 279 CB ARG A 17 15.557 3.185 13.879 1.00 0.00 C ATOM 280 CG ARG A 17 15.192 4.621 14.215 1.00 0.00 C ATOM 281 CD ARG A 17 14.114 4.694 15.282 1.00 0.00 C ATOM 282 NE ARG A 17 14.562 4.104 16.543 1.00 0.00 N ATOM 283 CZ ARG A 17 15.371 4.714 17.412 1.00 0.00 C ATOM 284 NH1 ARG A 17 15.859 5.926 17.148 1.00 0.00 N ATOM 285 NH2 ARG A 17 15.696 4.101 18.539 1.00 0.00 N ATOM 0 H ARG A 17 16.396 1.038 12.981 1.00 0.00 H new ATOM 0 HA ARG A 17 16.977 3.713 12.361 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.801 2.772 13.211 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.537 2.589 14.791 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.080 5.151 14.559 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.847 5.129 13.314 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.834 5.735 15.446 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.221 4.175 14.934 1.00 0.00 H new ATOM 0 HE ARG A 17 14.235 3.166 16.773 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.615 6.395 16.276 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.476 6.384 17.818 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.329 3.170 18.738 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.314 4.559 19.209 1.00 0.00 H new ATOM 299 N MET A 18 18.316 2.553 15.153 1.00 0.00 N ATOM 300 CA MET A 18 19.318 2.826 16.176 1.00 0.00 C ATOM 301 C MET A 18 20.718 2.891 15.564 1.00 0.00 C ATOM 302 O MET A 18 21.581 3.633 16.041 1.00 0.00 O ATOM 303 CB MET A 18 19.258 1.762 17.275 1.00 0.00 C ATOM 304 CG MET A 18 20.242 1.999 18.411 1.00 0.00 C ATOM 305 SD MET A 18 20.020 0.844 19.780 1.00 0.00 S ATOM 306 CE MET A 18 18.372 1.285 20.330 1.00 0.00 C ATOM 0 H MET A 18 17.883 1.632 15.221 1.00 0.00 H new ATOM 0 HA MET A 18 19.100 3.797 16.620 1.00 0.00 H new ATOM 0 HB2 MET A 18 18.247 1.730 17.682 1.00 0.00 H new ATOM 0 HB3 MET A 18 19.455 0.785 16.834 1.00 0.00 H new ATOM 0 HG2 MET A 18 21.259 1.911 18.029 1.00 0.00 H new ATOM 0 HG3 MET A 18 20.126 3.018 18.779 1.00 0.00 H new ATOM 0 HE1 MET A 18 18.248 0.999 21.375 1.00 0.00 H new ATOM 0 HE2 MET A 18 18.230 2.361 20.229 1.00 0.00 H new ATOM 0 HE3 MET A 18 17.634 0.763 19.721 1.00 0.00 H new ATOM 316 N VAL A 19 20.938 2.115 14.507 1.00 0.00 N ATOM 317 CA VAL A 19 22.202 2.160 13.783 1.00 0.00 C ATOM 318 C VAL A 19 22.386 3.520 13.118 1.00 0.00 C ATOM 319 O VAL A 19 23.405 4.178 13.320 1.00 0.00 O ATOM 320 CB VAL A 19 22.293 1.047 12.717 1.00 0.00 C ATOM 321 CG1 VAL A 19 23.556 1.197 11.880 1.00 0.00 C ATOM 322 CG2 VAL A 19 22.255 -0.324 13.372 1.00 0.00 C ATOM 0 H VAL A 19 20.260 1.450 14.135 1.00 0.00 H new ATOM 0 HA VAL A 19 22.997 1.998 14.511 1.00 0.00 H new ATOM 0 HB VAL A 19 21.431 1.142 12.056 1.00 0.00 H new ATOM 0 HG11 VAL A 19 23.596 0.401 11.137 1.00 0.00 H new ATOM 0 HG12 VAL A 19 23.546 2.164 11.376 1.00 0.00 H new ATOM 0 HG13 VAL A 19 24.431 1.134 12.527 1.00 0.00 H new ATOM 0 HG21 VAL A 19 22.320 -1.096 12.605 1.00 0.00 H new ATOM 0 HG22 VAL A 19 23.096 -0.423 14.058 1.00 0.00 H new ATOM 0 HG23 VAL A 19 21.322 -0.438 13.923 1.00 0.00 H new ATOM 332 N LEU A 20 21.387 3.943 12.346 1.00 0.00 N ATOM 333 CA LEU A 20 21.425 5.241 11.672 1.00 0.00 C ATOM 334 C LEU A 20 21.588 6.368 12.684 1.00 0.00 C ATOM 335 O LEU A 20 22.355 7.307 12.468 1.00 0.00 O ATOM 336 CB LEU A 20 20.146 5.459 10.861 1.00 0.00 C ATOM 337 CG LEU A 20 19.912 4.459 9.729 1.00 0.00 C ATOM 338 CD1 LEU A 20 18.565 4.714 9.071 1.00 0.00 C ATOM 339 CD2 LEU A 20 21.037 4.536 8.703 1.00 0.00 C ATOM 0 H LEU A 20 20.539 3.405 12.171 1.00 0.00 H new ATOM 0 HA LEU A 20 22.281 5.247 10.997 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.294 5.420 11.540 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.171 6.463 10.437 1.00 0.00 H new ATOM 0 HG LEU A 20 19.906 3.454 10.150 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.411 3.995 8.267 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.772 4.606 9.811 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.545 5.725 8.663 1.00 0.00 H new ATOM 0 HD21 LEU A 20 20.852 3.816 7.905 1.00 0.00 H new ATOM 0 HD22 LEU A 20 21.078 5.541 8.283 1.00 0.00 H new ATOM 0 HD23 LEU A 20 21.987 4.306 9.186 1.00 0.00 H new ATOM 351 N GLU A 21 20.865 6.253 13.792 1.00 0.00 N ATOM 352 CA GLU A 21 20.929 7.228 14.871 1.00 0.00 C ATOM 353 C GLU A 21 22.364 7.392 15.371 1.00 0.00 C ATOM 354 O GLU A 21 22.865 8.509 15.500 1.00 0.00 O ATOM 355 CB GLU A 21 20.017 6.779 16.014 1.00 0.00 C ATOM 356 CG GLU A 21 19.964 7.745 17.183 1.00 0.00 C ATOM 357 CD GLU A 21 19.093 7.233 18.309 1.00 0.00 C ATOM 358 OE1 GLU A 21 17.865 7.452 18.265 1.00 0.00 O ATOM 359 OE2 GLU A 21 19.631 6.606 19.247 1.00 0.00 O ATOM 0 H GLU A 21 20.220 5.483 13.966 1.00 0.00 H new ATOM 0 HA GLU A 21 20.592 8.194 14.495 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.008 6.640 15.626 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.356 5.808 16.375 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.974 7.917 17.556 1.00 0.00 H new ATOM 0 HG3 GLU A 21 19.583 8.707 16.840 1.00 0.00 H new ATOM 366 N SER A 22 23.026 6.272 15.625 1.00 0.00 N ATOM 367 CA SER A 22 24.388 6.292 16.136 1.00 0.00 C ATOM 368 C SER A 22 25.386 6.609 15.019 1.00 0.00 C ATOM 369 O SER A 22 26.473 7.125 15.272 1.00 0.00 O ATOM 370 CB SER A 22 24.707 4.953 16.792 1.00 0.00 C ATOM 371 OG SER A 22 23.709 4.617 17.746 1.00 0.00 O ATOM 0 H SER A 22 22.641 5.338 15.485 1.00 0.00 H new ATOM 0 HA SER A 22 24.474 7.080 16.884 1.00 0.00 H new ATOM 0 HB2 SER A 22 24.769 4.174 16.032 1.00 0.00 H new ATOM 0 HB3 SER A 22 25.681 5.002 17.278 1.00 0.00 H new ATOM 0 HG SER A 22 22.926 4.251 17.285 1.00 0.00 H new ATOM 377 N GLN A 23 25.002 6.314 13.784 1.00 0.00 N ATOM 378 CA GLN A 23 25.819 6.649 12.621 1.00 0.00 C ATOM 379 C GLN A 23 25.867 8.165 12.436 1.00 0.00 C ATOM 380 O GLN A 23 26.759 8.701 11.780 1.00 0.00 O ATOM 381 CB GLN A 23 25.260 5.958 11.369 1.00 0.00 C ATOM 382 CG GLN A 23 26.031 6.241 10.084 1.00 0.00 C ATOM 383 CD GLN A 23 27.500 5.854 10.159 1.00 0.00 C ATOM 384 OE1 GLN A 23 27.821 4.869 10.986 1.00 0.00 O flip ATOM 385 NE2 GLN A 23 28.340 6.440 9.477 1.00 0.00 N flip ATOM 0 H GLN A 23 24.126 5.841 13.559 1.00 0.00 H new ATOM 0 HA GLN A 23 26.837 6.292 12.781 1.00 0.00 H new ATOM 0 HB2 GLN A 23 25.249 4.882 11.540 1.00 0.00 H new ATOM 0 HB3 GLN A 23 24.225 6.270 11.231 1.00 0.00 H new ATOM 0 HG2 GLN A 23 25.563 5.700 9.262 1.00 0.00 H new ATOM 0 HG3 GLN A 23 25.955 7.303 9.851 1.00 0.00 H new ATOM 0 HE21 GLN A 23 28.054 7.193 8.852 1.00 0.00 H new ATOM 0 HE22 GLN A 23 29.322 6.172 9.537 1.00 0.00 H new ATOM 394 N GLY A 24 24.901 8.851 13.035 1.00 0.00 N ATOM 395 CA GLY A 24 24.920 10.302 13.056 1.00 0.00 C ATOM 396 C GLY A 24 25.927 10.838 14.058 1.00 0.00 C ATOM 397 O GLY A 24 26.099 12.047 14.194 1.00 0.00 O ATOM 0 H GLY A 24 24.103 8.427 13.508 1.00 0.00 H new ATOM 0 HA2 GLY A 24 25.162 10.677 12.061 1.00 0.00 H new ATOM 0 HA3 GLY A 24 23.926 10.675 13.304 1.00 0.00 H new ATOM 401 N GLU A 25 26.583 9.924 14.761 1.00 0.00 N ATOM 402 CA GLU A 25 27.609 10.272 15.731 1.00 0.00 C ATOM 403 C GLU A 25 28.950 9.679 15.306 1.00 0.00 C ATOM 404 O GLU A 25 29.946 10.394 15.181 1.00 0.00 O ATOM 405 CB GLU A 25 27.215 9.745 17.116 1.00 0.00 C ATOM 406 CG GLU A 25 28.215 10.077 18.213 1.00 0.00 C ATOM 407 CD GLU A 25 28.382 11.568 18.410 1.00 0.00 C ATOM 408 OE1 GLU A 25 27.471 12.203 18.984 1.00 0.00 O ATOM 409 OE2 GLU A 25 29.426 12.110 17.998 1.00 0.00 O ATOM 0 H GLU A 25 26.418 8.921 14.674 1.00 0.00 H new ATOM 0 HA GLU A 25 27.703 11.357 15.778 1.00 0.00 H new ATOM 0 HB2 GLU A 25 26.243 10.158 17.387 1.00 0.00 H new ATOM 0 HB3 GLU A 25 27.097 8.663 17.061 1.00 0.00 H new ATOM 0 HG2 GLU A 25 27.887 9.624 19.149 1.00 0.00 H new ATOM 0 HG3 GLU A 25 29.181 9.636 17.966 1.00 0.00 H new ATOM 416 N TYR A 26 28.960 8.372 15.072 1.00 0.00 N ATOM 417 CA TYR A 26 30.174 7.670 14.672 1.00 0.00 C ATOM 418 C TYR A 26 30.476 7.920 13.201 1.00 0.00 C ATOM 419 O TYR A 26 29.565 8.023 12.383 1.00 0.00 O ATOM 420 CB TYR A 26 30.032 6.165 14.914 1.00 0.00 C ATOM 421 CG TYR A 26 29.837 5.784 16.364 1.00 0.00 C ATOM 422 CD1 TYR A 26 30.926 5.585 17.202 1.00 0.00 C ATOM 423 CD2 TYR A 26 28.563 5.613 16.893 1.00 0.00 C ATOM 424 CE1 TYR A 26 30.750 5.230 18.528 1.00 0.00 C ATOM 425 CE2 TYR A 26 28.380 5.258 18.213 1.00 0.00 C ATOM 426 CZ TYR A 26 29.474 5.067 19.028 1.00 0.00 C ATOM 427 OH TYR A 26 29.291 4.712 20.345 1.00 0.00 O ATOM 0 H TYR A 26 28.137 7.775 15.153 1.00 0.00 H new ATOM 0 HA TYR A 26 30.997 8.052 15.276 1.00 0.00 H new ATOM 0 HB2 TYR A 26 29.186 5.794 14.336 1.00 0.00 H new ATOM 0 HB3 TYR A 26 30.922 5.662 14.535 1.00 0.00 H new ATOM 0 HD1 TYR A 26 31.926 5.709 16.813 1.00 0.00 H new ATOM 0 HD2 TYR A 26 27.701 5.761 16.259 1.00 0.00 H new ATOM 0 HE1 TYR A 26 31.607 5.081 19.168 1.00 0.00 H new ATOM 0 HE2 TYR A 26 27.382 5.130 18.606 1.00 0.00 H new ATOM 0 HH TYR A 26 28.332 4.640 20.534 1.00 0.00 H new ATOM 437 N ASP A 27 31.755 8.019 12.872 1.00 0.00 N ATOM 438 CA ASP A 27 32.178 8.180 11.485 1.00 0.00 C ATOM 439 C ASP A 27 32.394 6.817 10.857 1.00 0.00 C ATOM 440 O ASP A 27 32.488 6.680 9.638 1.00 0.00 O ATOM 441 CB ASP A 27 33.468 9.005 11.391 1.00 0.00 C ATOM 442 CG ASP A 27 34.663 8.317 12.026 1.00 0.00 C ATOM 443 OD1 ASP A 27 35.367 7.557 11.326 1.00 0.00 O ATOM 444 OD2 ASP A 27 34.906 8.537 13.233 1.00 0.00 O ATOM 0 H ASP A 27 32.520 7.991 13.546 1.00 0.00 H new ATOM 0 HA ASP A 27 31.394 8.713 10.948 1.00 0.00 H new ATOM 0 HB2 ASP A 27 33.687 9.207 10.343 1.00 0.00 H new ATOM 0 HB3 ASP A 27 33.312 9.969 11.875 1.00 0.00 H new ATOM 449 N SER A 28 32.466 5.807 11.708 1.00 0.00 N ATOM 450 CA SER A 28 32.679 4.446 11.266 1.00 0.00 C ATOM 451 C SER A 28 31.381 3.655 11.321 1.00 0.00 C ATOM 452 O SER A 28 30.679 3.647 12.341 1.00 0.00 O ATOM 453 CB SER A 28 33.742 3.769 12.131 1.00 0.00 C ATOM 454 OG SER A 28 33.845 2.386 11.834 1.00 0.00 O ATOM 0 H SER A 28 32.378 5.910 12.719 1.00 0.00 H new ATOM 0 HA SER A 28 33.026 4.471 10.233 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.706 4.251 11.969 1.00 0.00 H new ATOM 0 HB3 SER A 28 33.494 3.899 13.184 1.00 0.00 H new ATOM 0 HG SER A 28 34.533 1.980 12.401 1.00 0.00 H new ATOM 460 N GLN A 29 31.061 3.003 10.217 1.00 0.00 N ATOM 461 CA GLN A 29 29.897 2.142 10.152 1.00 0.00 C ATOM 462 C GLN A 29 30.106 0.931 11.051 1.00 0.00 C ATOM 463 O GLN A 29 29.196 0.500 11.759 1.00 0.00 O ATOM 464 CB GLN A 29 29.651 1.684 8.709 1.00 0.00 C ATOM 465 CG GLN A 29 28.352 0.918 8.533 1.00 0.00 C ATOM 466 CD GLN A 29 27.133 1.802 8.704 1.00 0.00 C ATOM 467 OE1 GLN A 29 27.155 2.986 8.368 1.00 0.00 O ATOM 468 NE2 GLN A 29 26.069 1.242 9.252 1.00 0.00 N ATOM 0 H GLN A 29 31.595 3.055 9.350 1.00 0.00 H new ATOM 0 HA GLN A 29 29.025 2.701 10.493 1.00 0.00 H new ATOM 0 HB2 GLN A 29 29.641 2.556 8.055 1.00 0.00 H new ATOM 0 HB3 GLN A 29 30.481 1.055 8.389 1.00 0.00 H new ATOM 0 HG2 GLN A 29 28.332 0.464 7.542 1.00 0.00 H new ATOM 0 HG3 GLN A 29 28.312 0.104 9.257 1.00 0.00 H new ATOM 0 HE21 GLN A 29 26.090 0.257 9.517 1.00 0.00 H new ATOM 0 HE22 GLN A 29 25.226 1.795 9.410 1.00 0.00 H new ATOM 477 N TRP A 30 31.330 0.413 11.039 1.00 0.00 N ATOM 478 CA TRP A 30 31.672 -0.786 11.793 1.00 0.00 C ATOM 479 C TRP A 30 31.644 -0.514 13.291 1.00 0.00 C ATOM 480 O TRP A 30 31.148 -1.331 14.065 1.00 0.00 O ATOM 481 CB TRP A 30 33.046 -1.303 11.366 1.00 0.00 C ATOM 482 CG TRP A 30 33.122 -1.603 9.898 1.00 0.00 C ATOM 483 CD1 TRP A 30 32.750 -2.759 9.275 1.00 0.00 C ATOM 484 CD2 TRP A 30 33.589 -0.724 8.869 1.00 0.00 C ATOM 485 NE1 TRP A 30 32.960 -2.651 7.921 1.00 0.00 N ATOM 486 CE2 TRP A 30 33.474 -1.413 7.646 1.00 0.00 C ATOM 487 CE3 TRP A 30 34.091 0.578 8.862 1.00 0.00 C ATOM 488 CZ2 TRP A 30 33.843 -0.842 6.432 1.00 0.00 C ATOM 489 CZ3 TRP A 30 34.457 1.143 7.658 1.00 0.00 C ATOM 490 CH2 TRP A 30 34.331 0.434 6.457 1.00 0.00 C ATOM 0 H TRP A 30 32.107 0.810 10.510 1.00 0.00 H new ATOM 0 HA TRP A 30 30.927 -1.552 11.577 1.00 0.00 H new ATOM 0 HB2 TRP A 30 33.804 -0.562 11.621 1.00 0.00 H new ATOM 0 HB3 TRP A 30 33.281 -2.206 11.930 1.00 0.00 H new ATOM 0 HD1 TRP A 30 32.350 -3.630 9.773 1.00 0.00 H new ATOM 0 HE1 TRP A 30 32.764 -3.377 7.232 1.00 0.00 H new ATOM 0 HE3 TRP A 30 34.191 1.133 9.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 33.747 -1.387 5.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 34.848 2.150 7.641 1.00 0.00 H new ATOM 0 HH2 TRP A 30 34.626 0.906 5.531 1.00 0.00 H new ATOM 501 N ALA A 31 32.154 0.648 13.690 1.00 0.00 N ATOM 502 CA ALA A 31 32.125 1.052 15.092 1.00 0.00 C ATOM 503 C ALA A 31 30.690 1.123 15.602 1.00 0.00 C ATOM 504 O ALA A 31 30.423 0.876 16.780 1.00 0.00 O ATOM 505 CB ALA A 31 32.811 2.395 15.270 1.00 0.00 C ATOM 0 H ALA A 31 32.591 1.324 13.064 1.00 0.00 H new ATOM 0 HA ALA A 31 32.662 0.304 15.674 1.00 0.00 H new ATOM 0 HB1 ALA A 31 32.781 2.682 16.321 1.00 0.00 H new ATOM 0 HB2 ALA A 31 33.848 2.320 14.944 1.00 0.00 H new ATOM 0 HB3 ALA A 31 32.297 3.148 14.673 1.00 0.00 H new ATOM 511 N THR A 32 29.774 1.448 14.697 1.00 0.00 N ATOM 512 CA THR A 32 28.359 1.526 15.023 1.00 0.00 C ATOM 513 C THR A 32 27.751 0.125 15.123 1.00 0.00 C ATOM 514 O THR A 32 27.011 -0.178 16.055 1.00 0.00 O ATOM 515 CB THR A 32 27.598 2.351 13.963 1.00 0.00 C ATOM 516 OG1 THR A 32 28.245 3.619 13.774 1.00 0.00 O ATOM 517 CG2 THR A 32 26.153 2.576 14.382 1.00 0.00 C ATOM 0 H THR A 32 29.991 1.663 13.724 1.00 0.00 H new ATOM 0 HA THR A 32 28.264 2.022 15.989 1.00 0.00 H new ATOM 0 HB THR A 32 27.605 1.792 13.027 1.00 0.00 H new ATOM 0 HG1 THR A 32 29.066 3.493 13.253 1.00 0.00 H new ATOM 0 HG21 THR A 32 25.639 3.160 13.618 1.00 0.00 H new ATOM 0 HG22 THR A 32 25.654 1.614 14.500 1.00 0.00 H new ATOM 0 HG23 THR A 32 26.128 3.116 15.329 1.00 0.00 H new ATOM 525 N ILE A 33 28.091 -0.737 14.170 1.00 0.00 N ATOM 526 CA ILE A 33 27.568 -2.100 14.153 1.00 0.00 C ATOM 527 C ILE A 33 27.990 -2.865 15.409 1.00 0.00 C ATOM 528 O ILE A 33 27.160 -3.474 16.083 1.00 0.00 O ATOM 529 CB ILE A 33 28.037 -2.872 12.896 1.00 0.00 C ATOM 530 CG1 ILE A 33 27.509 -2.191 11.629 1.00 0.00 C ATOM 531 CG2 ILE A 33 27.579 -4.324 12.953 1.00 0.00 C ATOM 532 CD1 ILE A 33 28.001 -2.823 10.343 1.00 0.00 C ATOM 0 H ILE A 33 28.724 -0.518 13.401 1.00 0.00 H new ATOM 0 HA ILE A 33 26.481 -2.024 14.129 1.00 0.00 H new ATOM 0 HB ILE A 33 29.127 -2.861 12.870 1.00 0.00 H new ATOM 0 HG12 ILE A 33 26.419 -2.217 11.641 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.803 -1.142 11.643 1.00 0.00 H new ATOM 0 HG21 ILE A 33 27.919 -4.848 12.060 1.00 0.00 H new ATOM 0 HG22 ILE A 33 27.999 -4.803 13.837 1.00 0.00 H new ATOM 0 HG23 ILE A 33 26.491 -4.361 13.003 1.00 0.00 H new ATOM 0 HD11 ILE A 33 27.584 -2.286 9.491 1.00 0.00 H new ATOM 0 HD12 ILE A 33 29.089 -2.773 10.306 1.00 0.00 H new ATOM 0 HD13 ILE A 33 27.684 -3.865 10.305 1.00 0.00 H new ATOM 544 N CYS A 34 29.276 -2.793 15.736 1.00 0.00 N ATOM 545 CA CYS A 34 29.830 -3.552 16.850 1.00 0.00 C ATOM 546 C CYS A 34 29.340 -3.043 18.209 1.00 0.00 C ATOM 547 O CYS A 34 29.524 -3.712 19.225 1.00 0.00 O ATOM 548 CB CYS A 34 31.358 -3.511 16.803 1.00 0.00 C ATOM 549 SG CYS A 34 32.062 -4.216 15.295 1.00 0.00 S ATOM 0 H CYS A 34 29.956 -2.214 15.243 1.00 0.00 H new ATOM 0 HA CYS A 34 29.481 -4.579 16.742 1.00 0.00 H new ATOM 0 HB2 CYS A 34 31.687 -2.476 16.897 1.00 0.00 H new ATOM 0 HB3 CYS A 34 31.753 -4.051 17.664 1.00 0.00 H new ATOM 0 HG CYS A 34 31.950 -3.360 14.323 1.00 0.00 H new ATOM 555 N SER A 35 28.733 -1.864 18.240 1.00 0.00 N ATOM 556 CA SER A 35 28.224 -1.321 19.493 1.00 0.00 C ATOM 557 C SER A 35 26.721 -1.568 19.640 1.00 0.00 C ATOM 558 O SER A 35 26.237 -1.890 20.727 1.00 0.00 O ATOM 559 CB SER A 35 28.542 0.175 19.589 1.00 0.00 C ATOM 560 OG SER A 35 28.222 0.847 18.384 1.00 0.00 O ATOM 0 H SER A 35 28.582 -1.272 17.424 1.00 0.00 H new ATOM 0 HA SER A 35 28.722 -1.838 20.313 1.00 0.00 H new ATOM 0 HB2 SER A 35 27.982 0.616 20.414 1.00 0.00 H new ATOM 0 HB3 SER A 35 29.600 0.311 19.814 1.00 0.00 H new ATOM 0 HG SER A 35 28.964 0.754 17.750 1.00 0.00 H new ATOM 566 N ILE A 36 25.995 -1.443 18.538 1.00 0.00 N ATOM 567 CA ILE A 36 24.539 -1.561 18.557 1.00 0.00 C ATOM 568 C ILE A 36 24.086 -3.021 18.589 1.00 0.00 C ATOM 569 O ILE A 36 23.124 -3.362 19.278 1.00 0.00 O ATOM 570 CB ILE A 36 23.913 -0.847 17.338 1.00 0.00 C ATOM 571 CG1 ILE A 36 24.303 0.634 17.341 1.00 0.00 C ATOM 572 CG2 ILE A 36 22.397 -1.000 17.332 1.00 0.00 C ATOM 573 CD1 ILE A 36 23.880 1.378 18.589 1.00 0.00 C ATOM 0 H ILE A 36 26.390 -1.259 17.616 1.00 0.00 H new ATOM 0 HA ILE A 36 24.193 -1.079 19.471 1.00 0.00 H new ATOM 0 HB ILE A 36 24.299 -1.313 16.431 1.00 0.00 H new ATOM 0 HG12 ILE A 36 25.384 0.715 17.231 1.00 0.00 H new ATOM 0 HG13 ILE A 36 23.857 1.119 16.472 1.00 0.00 H new ATOM 0 HG21 ILE A 36 21.983 -0.488 16.463 1.00 0.00 H new ATOM 0 HG22 ILE A 36 22.138 -2.058 17.287 1.00 0.00 H new ATOM 0 HG23 ILE A 36 21.984 -0.564 18.241 1.00 0.00 H new ATOM 0 HD11 ILE A 36 24.192 2.420 18.515 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.796 1.330 18.691 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.347 0.920 19.461 1.00 0.00 H new ATOM 585 N ALA A 37 24.795 -3.880 17.860 1.00 0.00 N ATOM 586 CA ALA A 37 24.425 -5.293 17.754 1.00 0.00 C ATOM 587 C ALA A 37 24.290 -5.965 19.132 1.00 0.00 C ATOM 588 O ALA A 37 23.238 -6.534 19.432 1.00 0.00 O ATOM 589 CB ALA A 37 25.419 -6.046 16.879 1.00 0.00 C ATOM 0 H ALA A 37 25.630 -3.624 17.333 1.00 0.00 H new ATOM 0 HA ALA A 37 23.443 -5.334 17.282 1.00 0.00 H new ATOM 0 HB1 ALA A 37 25.125 -7.094 16.814 1.00 0.00 H new ATOM 0 HB2 ALA A 37 25.429 -5.609 15.881 1.00 0.00 H new ATOM 0 HB3 ALA A 37 26.415 -5.975 17.316 1.00 0.00 H new ATOM 595 N PRO A 38 25.330 -5.907 20.001 1.00 0.00 N ATOM 596 CA PRO A 38 25.275 -6.535 21.326 1.00 0.00 C ATOM 597 C PRO A 38 24.423 -5.735 22.311 1.00 0.00 C ATOM 598 O PRO A 38 24.125 -6.204 23.410 1.00 0.00 O ATOM 599 CB PRO A 38 26.738 -6.559 21.771 1.00 0.00 C ATOM 600 CG PRO A 38 27.363 -5.399 21.081 1.00 0.00 C ATOM 601 CD PRO A 38 26.632 -5.244 19.770 1.00 0.00 C ATOM 0 HA PRO A 38 24.814 -7.522 21.292 1.00 0.00 H new ATOM 0 HB2 PRO A 38 26.824 -6.469 22.854 1.00 0.00 H new ATOM 0 HB3 PRO A 38 27.222 -7.494 21.490 1.00 0.00 H new ATOM 0 HG2 PRO A 38 27.277 -4.495 21.684 1.00 0.00 H new ATOM 0 HG3 PRO A 38 28.426 -5.571 20.916 1.00 0.00 H new ATOM 0 HD2 PRO A 38 26.503 -4.194 19.507 1.00 0.00 H new ATOM 0 HD3 PRO A 38 27.178 -5.713 18.951 1.00 0.00 H new ATOM 609 N LYS A 39 24.038 -4.526 21.916 1.00 0.00 N ATOM 610 CA LYS A 39 23.184 -3.682 22.742 1.00 0.00 C ATOM 611 C LYS A 39 21.727 -4.101 22.581 1.00 0.00 C ATOM 612 O LYS A 39 20.960 -4.143 23.545 1.00 0.00 O ATOM 613 CB LYS A 39 23.360 -2.212 22.349 1.00 0.00 C ATOM 614 CG LYS A 39 22.499 -1.246 23.148 1.00 0.00 C ATOM 615 CD LYS A 39 22.682 0.186 22.666 1.00 0.00 C ATOM 616 CE LYS A 39 21.819 1.161 23.453 1.00 0.00 C ATOM 617 NZ LYS A 39 22.177 1.191 24.894 1.00 0.00 N ATOM 0 H LYS A 39 24.306 -4.108 21.025 1.00 0.00 H new ATOM 0 HA LYS A 39 23.471 -3.801 23.787 1.00 0.00 H new ATOM 0 HB2 LYS A 39 24.407 -1.937 22.474 1.00 0.00 H new ATOM 0 HB3 LYS A 39 23.126 -2.100 21.290 1.00 0.00 H new ATOM 0 HG2 LYS A 39 21.451 -1.531 23.059 1.00 0.00 H new ATOM 0 HG3 LYS A 39 22.759 -1.312 24.205 1.00 0.00 H new ATOM 0 HD2 LYS A 39 23.730 0.470 22.760 1.00 0.00 H new ATOM 0 HD3 LYS A 39 22.429 0.249 21.608 1.00 0.00 H new ATOM 0 HE2 LYS A 39 21.928 2.161 23.033 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.770 0.883 23.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 21.700 1.993 25.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 21.876 0.304 25.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 23.207 1.298 24.994 1.00 0.00 H new ATOM 631 N ILE A 40 21.353 -4.406 21.347 1.00 0.00 N ATOM 632 CA ILE A 40 20.007 -4.873 21.052 1.00 0.00 C ATOM 633 C ILE A 40 19.893 -6.370 21.316 1.00 0.00 C ATOM 634 O ILE A 40 18.916 -6.836 21.908 1.00 0.00 O ATOM 635 CB ILE A 40 19.611 -4.575 19.588 1.00 0.00 C ATOM 636 CG1 ILE A 40 19.637 -3.066 19.336 1.00 0.00 C ATOM 637 CG2 ILE A 40 18.234 -5.147 19.272 1.00 0.00 C ATOM 638 CD1 ILE A 40 19.274 -2.678 17.921 1.00 0.00 C ATOM 0 H ILE A 40 21.964 -4.338 20.533 1.00 0.00 H new ATOM 0 HA ILE A 40 19.324 -4.335 21.709 1.00 0.00 H new ATOM 0 HB ILE A 40 20.334 -5.055 18.928 1.00 0.00 H new ATOM 0 HG12 ILE A 40 18.946 -2.580 20.025 1.00 0.00 H new ATOM 0 HG13 ILE A 40 20.633 -2.686 19.563 1.00 0.00 H new ATOM 0 HG21 ILE A 40 17.977 -4.925 18.236 1.00 0.00 H new ATOM 0 HG22 ILE A 40 18.246 -6.227 19.419 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.493 -4.699 19.934 1.00 0.00 H new ATOM 0 HD11 ILE A 40 19.314 -1.594 17.819 1.00 0.00 H new ATOM 0 HD12 ILE A 40 19.979 -3.134 17.226 1.00 0.00 H new ATOM 0 HD13 ILE A 40 18.266 -3.026 17.695 1.00 0.00 H new ATOM 650 N GLY A 41 20.906 -7.112 20.898 1.00 0.00 N ATOM 651 CA GLY A 41 20.896 -8.548 21.082 1.00 0.00 C ATOM 652 C GLY A 41 20.844 -9.289 19.766 1.00 0.00 C ATOM 653 O GLY A 41 20.042 -10.205 19.592 1.00 0.00 O ATOM 0 H GLY A 41 21.737 -6.745 20.434 1.00 0.00 H new ATOM 0 HA2 GLY A 41 21.788 -8.849 21.632 1.00 0.00 H new ATOM 0 HA3 GLY A 41 20.036 -8.829 21.690 1.00 0.00 H new ATOM 657 N CYS A 42 21.691 -8.882 18.834 1.00 0.00 N ATOM 658 CA CYS A 42 21.766 -9.516 17.529 1.00 0.00 C ATOM 659 C CYS A 42 23.225 -9.643 17.113 1.00 0.00 C ATOM 660 O CYS A 42 24.093 -8.971 17.669 1.00 0.00 O ATOM 661 CB CYS A 42 20.983 -8.702 16.494 1.00 0.00 C ATOM 662 SG CYS A 42 19.249 -8.437 16.929 1.00 0.00 S ATOM 0 H CYS A 42 22.342 -8.107 18.960 1.00 0.00 H new ATOM 0 HA CYS A 42 21.322 -10.510 17.586 1.00 0.00 H new ATOM 0 HB2 CYS A 42 21.467 -7.734 16.366 1.00 0.00 H new ATOM 0 HB3 CYS A 42 21.032 -9.213 15.532 1.00 0.00 H new ATOM 0 HG CYS A 42 18.725 -7.570 16.115 1.00 0.00 H new ATOM 668 N THR A 43 23.501 -10.521 16.166 1.00 0.00 N ATOM 669 CA THR A 43 24.855 -10.708 15.678 1.00 0.00 C ATOM 670 C THR A 43 25.245 -9.594 14.707 1.00 0.00 C ATOM 671 O THR A 43 24.423 -9.143 13.904 1.00 0.00 O ATOM 672 CB THR A 43 25.005 -12.079 14.998 1.00 0.00 C ATOM 673 OG1 THR A 43 23.805 -12.397 14.281 1.00 0.00 O ATOM 674 CG2 THR A 43 25.302 -13.167 16.019 1.00 0.00 C ATOM 0 H THR A 43 22.804 -11.117 15.719 1.00 0.00 H new ATOM 0 HA THR A 43 25.526 -10.669 16.536 1.00 0.00 H new ATOM 0 HB THR A 43 25.843 -12.028 14.303 1.00 0.00 H new ATOM 0 HG1 THR A 43 24.036 -12.758 13.400 1.00 0.00 H new ATOM 0 HG21 THR A 43 25.403 -14.126 15.510 1.00 0.00 H new ATOM 0 HG22 THR A 43 26.230 -12.933 16.540 1.00 0.00 H new ATOM 0 HG23 THR A 43 24.486 -13.223 16.739 1.00 0.00 H new ATOM 682 N PRO A 44 26.506 -9.133 14.781 1.00 0.00 N ATOM 683 CA PRO A 44 27.010 -8.027 13.954 1.00 0.00 C ATOM 684 C PRO A 44 26.803 -8.260 12.458 1.00 0.00 C ATOM 685 O PRO A 44 26.492 -7.330 11.716 1.00 0.00 O ATOM 686 CB PRO A 44 28.504 -7.983 14.286 1.00 0.00 C ATOM 687 CG PRO A 44 28.607 -8.587 15.641 1.00 0.00 C ATOM 688 CD PRO A 44 27.543 -9.647 15.694 1.00 0.00 C ATOM 0 HA PRO A 44 26.482 -7.097 14.166 1.00 0.00 H new ATOM 0 HB2 PRO A 44 29.088 -8.544 13.557 1.00 0.00 H new ATOM 0 HB3 PRO A 44 28.882 -6.960 14.278 1.00 0.00 H new ATOM 0 HG2 PRO A 44 29.596 -9.016 15.805 1.00 0.00 H new ATOM 0 HG3 PRO A 44 28.452 -7.837 16.417 1.00 0.00 H new ATOM 0 HD2 PRO A 44 27.923 -10.615 15.367 1.00 0.00 H new ATOM 0 HD3 PRO A 44 27.158 -9.781 16.705 1.00 0.00 H new ATOM 696 N GLU A 45 26.955 -9.504 12.022 1.00 0.00 N ATOM 697 CA GLU A 45 26.819 -9.824 10.609 1.00 0.00 C ATOM 698 C GLU A 45 25.361 -9.737 10.155 1.00 0.00 C ATOM 699 O GLU A 45 25.085 -9.349 9.023 1.00 0.00 O ATOM 700 CB GLU A 45 27.445 -11.194 10.295 1.00 0.00 C ATOM 701 CG GLU A 45 27.054 -12.323 11.241 1.00 0.00 C ATOM 702 CD GLU A 45 25.668 -12.864 10.975 1.00 0.00 C ATOM 703 OE1 GLU A 45 25.411 -13.323 9.845 1.00 0.00 O ATOM 704 OE2 GLU A 45 24.830 -12.835 11.899 1.00 0.00 O ATOM 0 H GLU A 45 27.171 -10.301 12.621 1.00 0.00 H new ATOM 0 HA GLU A 45 27.370 -9.077 10.037 1.00 0.00 H new ATOM 0 HB2 GLU A 45 27.165 -11.479 9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 45 28.530 -11.091 10.309 1.00 0.00 H new ATOM 0 HG2 GLU A 45 27.778 -13.133 11.150 1.00 0.00 H new ATOM 0 HG3 GLU A 45 27.106 -11.963 12.269 1.00 0.00 H new ATOM 711 N THR A 46 24.427 -10.060 11.046 1.00 0.00 N ATOM 712 CA THR A 46 23.012 -9.923 10.735 1.00 0.00 C ATOM 713 C THR A 46 22.631 -8.447 10.687 1.00 0.00 C ATOM 714 O THR A 46 21.878 -8.016 9.813 1.00 0.00 O ATOM 715 CB THR A 46 22.124 -10.658 11.763 1.00 0.00 C ATOM 716 OG1 THR A 46 22.413 -12.061 11.747 1.00 0.00 O ATOM 717 CG2 THR A 46 20.647 -10.454 11.466 1.00 0.00 C ATOM 0 H THR A 46 24.625 -10.415 11.981 1.00 0.00 H new ATOM 0 HA THR A 46 22.842 -10.380 9.760 1.00 0.00 H new ATOM 0 HB THR A 46 22.344 -10.242 12.746 1.00 0.00 H new ATOM 0 HG1 THR A 46 23.330 -12.203 11.430 1.00 0.00 H new ATOM 0 HG21 THR A 46 20.050 -10.984 12.208 1.00 0.00 H new ATOM 0 HG22 THR A 46 20.412 -9.390 11.504 1.00 0.00 H new ATOM 0 HG23 THR A 46 20.419 -10.841 10.473 1.00 0.00 H new ATOM 725 N LEU A 47 23.183 -7.673 11.616 1.00 0.00 N ATOM 726 CA LEU A 47 22.943 -6.236 11.652 1.00 0.00 C ATOM 727 C LEU A 47 23.481 -5.580 10.383 1.00 0.00 C ATOM 728 O LEU A 47 22.850 -4.686 9.817 1.00 0.00 O ATOM 729 CB LEU A 47 23.599 -5.613 12.887 1.00 0.00 C ATOM 730 CG LEU A 47 23.286 -4.131 13.114 1.00 0.00 C ATOM 731 CD1 LEU A 47 21.794 -3.931 13.332 1.00 0.00 C ATOM 732 CD2 LEU A 47 24.072 -3.587 14.298 1.00 0.00 C ATOM 0 H LEU A 47 23.799 -8.017 12.353 1.00 0.00 H new ATOM 0 HA LEU A 47 21.868 -6.066 11.708 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.284 -6.173 13.767 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.679 -5.731 12.803 1.00 0.00 H new ATOM 0 HG LEU A 47 23.586 -3.579 12.223 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.588 -2.873 13.492 1.00 0.00 H new ATOM 0 HD12 LEU A 47 21.248 -4.278 12.455 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.475 -4.499 14.206 1.00 0.00 H new ATOM 0 HD21 LEU A 47 23.833 -2.533 14.440 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.807 -4.143 15.197 1.00 0.00 H new ATOM 0 HD23 LEU A 47 25.140 -3.695 14.106 1.00 0.00 H new ATOM 744 N ARG A 48 24.650 -6.040 9.938 1.00 0.00 N ATOM 745 CA ARG A 48 25.254 -5.558 8.701 1.00 0.00 C ATOM 746 C ARG A 48 24.298 -5.741 7.526 1.00 0.00 C ATOM 747 O ARG A 48 24.130 -4.836 6.705 1.00 0.00 O ATOM 748 CB ARG A 48 26.565 -6.302 8.424 1.00 0.00 C ATOM 749 CG ARG A 48 27.175 -5.973 7.070 1.00 0.00 C ATOM 750 CD ARG A 48 28.397 -6.831 6.783 1.00 0.00 C ATOM 751 NE ARG A 48 28.908 -6.624 5.428 1.00 0.00 N ATOM 752 CZ ARG A 48 29.832 -7.391 4.853 1.00 0.00 C ATOM 753 NH1 ARG A 48 30.353 -8.419 5.509 1.00 0.00 N ATOM 754 NH2 ARG A 48 30.231 -7.131 3.615 1.00 0.00 N ATOM 0 H ARG A 48 25.199 -6.751 10.421 1.00 0.00 H new ATOM 0 HA ARG A 48 25.464 -4.495 8.818 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.284 -6.059 9.206 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.383 -7.375 8.481 1.00 0.00 H new ATOM 0 HG2 ARG A 48 26.431 -6.126 6.288 1.00 0.00 H new ATOM 0 HG3 ARG A 48 27.455 -4.920 7.043 1.00 0.00 H new ATOM 0 HD2 ARG A 48 29.180 -6.599 7.505 1.00 0.00 H new ATOM 0 HD3 ARG A 48 28.141 -7.882 6.917 1.00 0.00 H new ATOM 0 HE ARG A 48 28.533 -5.843 4.890 1.00 0.00 H new ATOM 0 HH11 ARG A 48 30.046 -8.626 6.460 1.00 0.00 H new ATOM 0 HH12 ARG A 48 31.061 -9.003 5.063 1.00 0.00 H new ATOM 0 HH21 ARG A 48 29.830 -6.344 3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 48 30.939 -7.718 3.173 1.00 0.00 H new ATOM 768 N VAL A 49 23.670 -6.911 7.459 1.00 0.00 N ATOM 769 CA VAL A 49 22.732 -7.219 6.386 1.00 0.00 C ATOM 770 C VAL A 49 21.576 -6.221 6.368 1.00 0.00 C ATOM 771 O VAL A 49 21.213 -5.704 5.311 1.00 0.00 O ATOM 772 CB VAL A 49 22.169 -8.653 6.515 1.00 0.00 C ATOM 773 CG1 VAL A 49 21.175 -8.953 5.402 1.00 0.00 C ATOM 774 CG2 VAL A 49 23.297 -9.675 6.506 1.00 0.00 C ATOM 0 H VAL A 49 23.795 -7.663 8.137 1.00 0.00 H new ATOM 0 HA VAL A 49 23.286 -7.146 5.450 1.00 0.00 H new ATOM 0 HB VAL A 49 21.644 -8.722 7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.795 -9.968 5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.346 -8.247 5.454 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.671 -8.859 4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 49 22.880 -10.678 6.598 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.851 -9.597 5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 49 23.968 -9.483 7.343 1.00 0.00 H new ATOM 784 N TRP A 50 21.021 -5.935 7.541 1.00 0.00 N ATOM 785 CA TRP A 50 19.905 -5.003 7.653 1.00 0.00 C ATOM 786 C TRP A 50 20.307 -3.599 7.198 1.00 0.00 C ATOM 787 O TRP A 50 19.527 -2.904 6.545 1.00 0.00 O ATOM 788 CB TRP A 50 19.381 -4.956 9.090 1.00 0.00 C ATOM 789 CG TRP A 50 18.736 -6.233 9.546 1.00 0.00 C ATOM 790 CD1 TRP A 50 18.091 -7.153 8.769 1.00 0.00 C ATOM 791 CD2 TRP A 50 18.658 -6.722 10.891 1.00 0.00 C ATOM 792 NE1 TRP A 50 17.620 -8.184 9.546 1.00 0.00 N ATOM 793 CE2 TRP A 50 17.956 -7.942 10.853 1.00 0.00 C ATOM 794 CE3 TRP A 50 19.115 -6.249 12.124 1.00 0.00 C ATOM 795 CZ2 TRP A 50 17.703 -8.693 11.999 1.00 0.00 C ATOM 796 CZ3 TRP A 50 18.862 -6.995 13.259 1.00 0.00 C ATOM 797 CH2 TRP A 50 18.162 -8.204 13.191 1.00 0.00 C ATOM 0 H TRP A 50 21.326 -6.336 8.428 1.00 0.00 H new ATOM 0 HA TRP A 50 19.111 -5.362 6.999 1.00 0.00 H new ATOM 0 HB2 TRP A 50 20.208 -4.719 9.760 1.00 0.00 H new ATOM 0 HB3 TRP A 50 18.658 -4.145 9.176 1.00 0.00 H new ATOM 0 HD1 TRP A 50 17.969 -7.081 7.698 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.105 -8.996 9.206 1.00 0.00 H new ATOM 0 HE3 TRP A 50 19.656 -5.317 12.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 17.164 -9.627 11.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 19.211 -6.638 14.217 1.00 0.00 H new ATOM 0 HH2 TRP A 50 17.980 -8.762 14.097 1.00 0.00 H new ATOM 808 N VAL A 51 21.525 -3.191 7.539 1.00 0.00 N ATOM 809 CA VAL A 51 22.033 -1.882 7.140 1.00 0.00 C ATOM 810 C VAL A 51 22.172 -1.795 5.622 1.00 0.00 C ATOM 811 O VAL A 51 21.716 -0.831 5.003 1.00 0.00 O ATOM 812 CB VAL A 51 23.393 -1.573 7.801 1.00 0.00 C ATOM 813 CG1 VAL A 51 23.939 -0.240 7.311 1.00 0.00 C ATOM 814 CG2 VAL A 51 23.262 -1.569 9.317 1.00 0.00 C ATOM 0 H VAL A 51 22.179 -3.747 8.090 1.00 0.00 H new ATOM 0 HA VAL A 51 21.309 -1.141 7.479 1.00 0.00 H new ATOM 0 HB VAL A 51 24.096 -2.356 7.517 1.00 0.00 H new ATOM 0 HG11 VAL A 51 24.898 -0.042 7.789 1.00 0.00 H new ATOM 0 HG12 VAL A 51 24.074 -0.277 6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 51 23.237 0.555 7.562 1.00 0.00 H new ATOM 0 HG21 VAL A 51 24.231 -1.349 9.765 1.00 0.00 H new ATOM 0 HG22 VAL A 51 22.542 -0.808 9.618 1.00 0.00 H new ATOM 0 HG23 VAL A 51 22.919 -2.547 9.655 1.00 0.00 H new ATOM 824 N ARG A 52 22.787 -2.819 5.032 1.00 0.00 N ATOM 825 CA ARG A 52 22.946 -2.896 3.582 1.00 0.00 C ATOM 826 C ARG A 52 21.577 -2.926 2.907 1.00 0.00 C ATOM 827 O ARG A 52 21.365 -2.295 1.869 1.00 0.00 O ATOM 828 CB ARG A 52 23.734 -4.152 3.194 1.00 0.00 C ATOM 829 CG ARG A 52 25.142 -4.222 3.772 1.00 0.00 C ATOM 830 CD ARG A 52 26.189 -3.628 2.836 1.00 0.00 C ATOM 831 NE ARG A 52 26.015 -2.193 2.609 1.00 0.00 N ATOM 832 CZ ARG A 52 26.760 -1.249 3.193 1.00 0.00 C ATOM 833 NH1 ARG A 52 27.708 -1.575 4.065 1.00 0.00 N ATOM 834 NH2 ARG A 52 26.571 0.026 2.892 1.00 0.00 N ATOM 0 H ARG A 52 23.185 -3.610 5.539 1.00 0.00 H new ATOM 0 HA ARG A 52 23.496 -2.016 3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 52 23.177 -5.030 3.522 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.799 -4.203 2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 52 25.167 -3.691 4.724 1.00 0.00 H new ATOM 0 HG3 ARG A 52 25.394 -5.262 3.981 1.00 0.00 H new ATOM 0 HD2 ARG A 52 27.181 -3.805 3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 52 26.147 -4.148 1.879 1.00 0.00 H new ATOM 0 HE ARG A 52 25.281 -1.895 1.966 1.00 0.00 H new ATOM 0 HH11 ARG A 52 27.874 -2.555 4.295 1.00 0.00 H new ATOM 0 HH12 ARG A 52 28.270 -0.846 4.504 1.00 0.00 H new ATOM 0 HH21 ARG A 52 25.856 0.289 2.214 1.00 0.00 H new ATOM 0 HH22 ARG A 52 27.140 0.745 3.338 1.00 0.00 H new ATOM 848 N GLN A 53 20.649 -3.657 3.518 1.00 0.00 N ATOM 849 CA GLN A 53 19.298 -3.780 2.991 1.00 0.00 C ATOM 850 C GLN A 53 18.589 -2.429 2.979 1.00 0.00 C ATOM 851 O GLN A 53 18.058 -2.019 1.953 1.00 0.00 O ATOM 852 CB GLN A 53 18.483 -4.789 3.806 1.00 0.00 C ATOM 853 CG GLN A 53 17.049 -4.924 3.326 1.00 0.00 C ATOM 854 CD GLN A 53 16.956 -5.447 1.908 1.00 0.00 C ATOM 855 OE1 GLN A 53 17.770 -6.267 1.480 1.00 0.00 O ATOM 856 NE2 GLN A 53 15.994 -4.946 1.154 1.00 0.00 N ATOM 0 H GLN A 53 20.811 -4.174 4.382 1.00 0.00 H new ATOM 0 HA GLN A 53 19.377 -4.140 1.965 1.00 0.00 H new ATOM 0 HB2 GLN A 53 18.969 -5.763 3.757 1.00 0.00 H new ATOM 0 HB3 GLN A 53 18.482 -4.485 4.853 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.508 -5.595 3.993 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.557 -3.953 3.384 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.339 -4.269 1.546 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.906 -5.236 0.180 1.00 0.00 H new ATOM 865 N HIS A 54 18.594 -1.737 4.116 1.00 0.00 N ATOM 866 CA HIS A 54 17.914 -0.447 4.232 1.00 0.00 C ATOM 867 C HIS A 54 18.506 0.572 3.267 1.00 0.00 C ATOM 868 O HIS A 54 17.790 1.413 2.721 1.00 0.00 O ATOM 869 CB HIS A 54 17.994 0.085 5.665 1.00 0.00 C ATOM 870 CG HIS A 54 17.329 1.417 5.846 1.00 0.00 C ATOM 871 ND1 HIS A 54 15.962 1.577 5.828 1.00 0.00 N ATOM 872 CD2 HIS A 54 17.851 2.654 6.035 1.00 0.00 C ATOM 873 CE1 HIS A 54 15.667 2.853 5.996 1.00 0.00 C ATOM 874 NE2 HIS A 54 16.795 3.526 6.126 1.00 0.00 N ATOM 0 H HIS A 54 19.060 -2.046 4.969 1.00 0.00 H new ATOM 0 HA HIS A 54 16.867 -0.603 3.974 1.00 0.00 H new ATOM 0 HB2 HIS A 54 17.533 -0.637 6.339 1.00 0.00 H new ATOM 0 HB3 HIS A 54 19.041 0.168 5.955 1.00 0.00 H new ATOM 0 HD2 HIS A 54 18.899 2.906 6.101 1.00 0.00 H new ATOM 0 HE1 HIS A 54 14.673 3.274 6.023 1.00 0.00 H new ATOM 0 HE2 HIS A 54 16.870 4.533 6.271 1.00 0.00 H new ATOM 883 N GLU A 55 19.814 0.488 3.074 1.00 0.00 N ATOM 884 CA GLU A 55 20.521 1.374 2.158 1.00 0.00 C ATOM 885 C GLU A 55 20.062 1.123 0.725 1.00 0.00 C ATOM 886 O GLU A 55 20.044 2.029 -0.112 1.00 0.00 O ATOM 887 CB GLU A 55 22.026 1.143 2.292 1.00 0.00 C ATOM 888 CG GLU A 55 22.880 2.099 1.486 1.00 0.00 C ATOM 889 CD GLU A 55 24.354 1.850 1.700 1.00 0.00 C ATOM 890 OE1 GLU A 55 24.932 1.015 0.976 1.00 0.00 O ATOM 891 OE2 GLU A 55 24.940 2.471 2.612 1.00 0.00 O ATOM 0 H GLU A 55 20.413 -0.191 3.544 1.00 0.00 H new ATOM 0 HA GLU A 55 20.298 2.411 2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 55 22.302 1.227 3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 55 22.254 0.123 1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 55 22.643 1.994 0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.640 3.125 1.766 1.00 0.00 H new ATOM 898 N ARG A 56 19.679 -0.118 0.463 1.00 0.00 N ATOM 899 CA ARG A 56 19.172 -0.519 -0.838 1.00 0.00 C ATOM 900 C ARG A 56 17.682 -0.185 -0.956 1.00 0.00 C ATOM 901 O ARG A 56 17.204 0.195 -2.026 1.00 0.00 O ATOM 902 CB ARG A 56 19.405 -2.018 -1.032 1.00 0.00 C ATOM 903 CG ARG A 56 19.102 -2.515 -2.431 1.00 0.00 C ATOM 904 CD ARG A 56 19.449 -3.985 -2.570 1.00 0.00 C ATOM 905 NE ARG A 56 19.312 -4.450 -3.945 1.00 0.00 N ATOM 906 CZ ARG A 56 20.321 -4.926 -4.671 1.00 0.00 C ATOM 907 NH1 ARG A 56 21.544 -5.010 -4.151 1.00 0.00 N ATOM 908 NH2 ARG A 56 20.106 -5.312 -5.919 1.00 0.00 N ATOM 0 H ARG A 56 19.712 -0.874 1.147 1.00 0.00 H new ATOM 0 HA ARG A 56 19.703 0.028 -1.617 1.00 0.00 H new ATOM 0 HB2 ARG A 56 20.444 -2.247 -0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 56 18.786 -2.566 -0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 56 18.046 -2.364 -2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 56 19.668 -1.933 -3.159 1.00 0.00 H new ATOM 0 HD2 ARG A 56 20.472 -4.150 -2.232 1.00 0.00 H new ATOM 0 HD3 ARG A 56 18.800 -4.574 -1.922 1.00 0.00 H new ATOM 0 HE ARG A 56 18.389 -4.408 -4.376 1.00 0.00 H new ATOM 0 HH11 ARG A 56 21.712 -4.709 -3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 56 22.313 -5.376 -4.713 1.00 0.00 H new ATOM 0 HH21 ARG A 56 19.171 -5.244 -6.320 1.00 0.00 H new ATOM 0 HH22 ARG A 56 20.876 -5.677 -6.480 1.00 0.00 H new ATOM 922 N ASP A 57 16.957 -0.337 0.154 1.00 0.00 N ATOM 923 CA ASP A 57 15.541 0.027 0.216 1.00 0.00 C ATOM 924 C ASP A 57 15.362 1.504 -0.092 1.00 0.00 C ATOM 925 O ASP A 57 14.754 1.880 -1.094 1.00 0.00 O ATOM 926 CB ASP A 57 14.947 -0.254 1.606 1.00 0.00 C ATOM 927 CG ASP A 57 14.767 -1.726 1.917 1.00 0.00 C ATOM 928 OD1 ASP A 57 14.140 -2.441 1.108 1.00 0.00 O ATOM 929 OD2 ASP A 57 15.210 -2.167 2.998 1.00 0.00 O ATOM 0 H ASP A 57 17.330 -0.712 1.026 1.00 0.00 H new ATOM 0 HA ASP A 57 15.020 -0.580 -0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.595 0.189 2.362 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.980 0.243 1.683 1.00 0.00 H new ATOM 934 N THR A 58 15.903 2.342 0.777 1.00 0.00 N ATOM 935 CA THR A 58 15.761 3.777 0.634 1.00 0.00 C ATOM 936 C THR A 58 16.978 4.371 -0.070 1.00 0.00 C ATOM 937 O THR A 58 17.881 4.919 0.566 1.00 0.00 O ATOM 938 CB THR A 58 15.563 4.450 2.003 1.00 0.00 C ATOM 939 OG1 THR A 58 14.626 3.691 2.780 1.00 0.00 O ATOM 940 CG2 THR A 58 15.046 5.871 1.839 1.00 0.00 C ATOM 0 H THR A 58 16.445 2.050 1.590 1.00 0.00 H new ATOM 0 HA THR A 58 14.877 3.966 0.026 1.00 0.00 H new ATOM 0 HB THR A 58 16.526 4.486 2.511 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.502 4.119 3.653 1.00 0.00 H new ATOM 0 HG21 THR A 58 14.914 6.326 2.821 1.00 0.00 H new ATOM 0 HG22 THR A 58 15.763 6.455 1.262 1.00 0.00 H new ATOM 0 HG23 THR A 58 14.090 5.852 1.316 1.00 0.00 H new ATOM 948 N GLY A 59 17.012 4.223 -1.386 1.00 0.00 N ATOM 949 CA GLY A 59 18.103 4.767 -2.167 1.00 0.00 C ATOM 950 C GLY A 59 17.679 5.986 -2.951 1.00 0.00 C ATOM 951 O GLY A 59 16.767 6.707 -2.539 1.00 0.00 O ATOM 0 H GLY A 59 16.300 3.734 -1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 59 18.928 5.030 -1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 59 18.474 4.005 -2.852 1.00 0.00 H new ATOM 955 N GLY A 60 18.319 6.204 -4.094 1.00 0.00 N ATOM 956 CA GLY A 60 18.000 7.351 -4.925 1.00 0.00 C ATOM 957 C GLY A 60 16.773 7.128 -5.787 1.00 0.00 C ATOM 958 O GLY A 60 16.799 7.360 -6.999 1.00 0.00 O ATOM 0 H GLY A 60 19.057 5.604 -4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 60 17.838 8.221 -4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 60 18.852 7.578 -5.566 1.00 0.00 H new ATOM 962 N ASP A 61 15.697 6.673 -5.165 1.00 0.00 N ATOM 963 CA ASP A 61 14.444 6.430 -5.863 1.00 0.00 C ATOM 964 C ASP A 61 13.467 7.561 -5.577 1.00 0.00 C ATOM 965 O ASP A 61 13.858 8.628 -5.100 1.00 0.00 O ATOM 966 CB ASP A 61 13.822 5.094 -5.429 1.00 0.00 C ATOM 967 CG ASP A 61 14.644 3.887 -5.842 1.00 0.00 C ATOM 968 OD1 ASP A 61 14.826 3.678 -7.061 1.00 0.00 O ATOM 969 OD2 ASP A 61 15.096 3.135 -4.948 1.00 0.00 O ATOM 0 H ASP A 61 15.667 6.463 -4.167 1.00 0.00 H new ATOM 0 HA ASP A 61 14.653 6.384 -6.932 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.704 5.091 -4.345 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.824 5.009 -5.859 1.00 0.00 H new ATOM 974 N ASP A 62 12.202 7.334 -5.887 1.00 0.00 N ATOM 975 CA ASP A 62 11.149 8.287 -5.551 1.00 0.00 C ATOM 976 C ASP A 62 10.419 7.833 -4.299 1.00 0.00 C ATOM 977 O ASP A 62 9.301 8.262 -4.027 1.00 0.00 O ATOM 978 CB ASP A 62 10.156 8.437 -6.705 1.00 0.00 C ATOM 979 CG ASP A 62 10.639 9.400 -7.767 1.00 0.00 C ATOM 980 OD1 ASP A 62 11.390 8.977 -8.670 1.00 0.00 O ATOM 981 OD2 ASP A 62 10.279 10.592 -7.704 1.00 0.00 O ATOM 0 H ASP A 62 11.875 6.498 -6.371 1.00 0.00 H new ATOM 0 HA ASP A 62 11.613 9.257 -5.369 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.981 7.461 -7.158 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.200 8.783 -6.314 1.00 0.00 H new ATOM 986 N GLY A 63 11.077 6.979 -3.529 1.00 0.00 N ATOM 987 CA GLY A 63 10.459 6.408 -2.355 1.00 0.00 C ATOM 988 C GLY A 63 10.432 7.363 -1.182 1.00 0.00 C ATOM 989 O GLY A 63 11.474 7.693 -0.613 1.00 0.00 O ATOM 0 H GLY A 63 12.034 6.671 -3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.439 6.108 -2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.998 5.505 -2.070 1.00 0.00 H new ATOM 993 N GLY A 64 9.242 7.837 -0.845 1.00 0.00 N ATOM 994 CA GLY A 64 9.065 8.640 0.348 1.00 0.00 C ATOM 995 C GLY A 64 9.150 10.122 0.073 1.00 0.00 C ATOM 996 O GLY A 64 8.231 10.874 0.400 1.00 0.00 O ATOM 0 H GLY A 64 8.389 7.678 -1.381 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.096 8.413 0.793 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.825 8.367 1.080 1.00 0.00 H new ATOM 1000 N LEU A 65 10.251 10.539 -0.541 1.00 0.00 N ATOM 1001 CA LEU A 65 10.502 11.951 -0.812 1.00 0.00 C ATOM 1002 C LEU A 65 9.412 12.542 -1.705 1.00 0.00 C ATOM 1003 O LEU A 65 8.974 13.678 -1.505 1.00 0.00 O ATOM 1004 CB LEU A 65 11.875 12.127 -1.470 1.00 0.00 C ATOM 1005 CG LEU A 65 12.281 13.575 -1.757 1.00 0.00 C ATOM 1006 CD1 LEU A 65 12.340 14.379 -0.468 1.00 0.00 C ATOM 1007 CD2 LEU A 65 13.622 13.619 -2.473 1.00 0.00 C ATOM 0 H LEU A 65 10.990 9.914 -0.863 1.00 0.00 H new ATOM 0 HA LEU A 65 10.490 12.485 0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.629 11.676 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.884 11.571 -2.408 1.00 0.00 H new ATOM 0 HG LEU A 65 11.527 14.021 -2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.630 15.405 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.360 14.375 0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.072 13.934 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.896 14.656 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.384 13.155 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.549 13.078 -3.416 1.00 0.00 H new ATOM 1019 N THR A 66 8.961 11.757 -2.672 1.00 0.00 N ATOM 1020 CA THR A 66 7.941 12.197 -3.612 1.00 0.00 C ATOM 1021 C THR A 66 6.537 11.976 -3.033 1.00 0.00 C ATOM 1022 O THR A 66 5.667 11.393 -3.676 1.00 0.00 O ATOM 1023 CB THR A 66 8.099 11.446 -4.945 1.00 0.00 C ATOM 1024 OG1 THR A 66 9.493 11.334 -5.257 1.00 0.00 O ATOM 1025 CG2 THR A 66 7.392 12.178 -6.077 1.00 0.00 C ATOM 0 H THR A 66 9.289 10.804 -2.827 1.00 0.00 H new ATOM 0 HA THR A 66 8.068 13.265 -3.791 1.00 0.00 H new ATOM 0 HB THR A 66 7.649 10.459 -4.840 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.598 11.052 -6.190 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.522 11.623 -7.006 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.329 12.261 -5.849 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.818 13.175 -6.188 1.00 0.00 H new ATOM 1033 N THR A 67 6.358 12.442 -1.792 1.00 0.00 N ATOM 1034 CA THR A 67 5.089 12.388 -1.043 1.00 0.00 C ATOM 1035 C THR A 67 4.609 10.958 -0.760 1.00 0.00 C ATOM 1036 O THR A 67 3.658 10.762 -0.001 1.00 0.00 O ATOM 1037 CB THR A 67 3.948 13.201 -1.716 1.00 0.00 C ATOM 1038 OG1 THR A 67 3.597 12.665 -2.998 1.00 0.00 O ATOM 1039 CG2 THR A 67 4.350 14.658 -1.870 1.00 0.00 C ATOM 0 H THR A 67 7.111 12.881 -1.262 1.00 0.00 H new ATOM 0 HA THR A 67 5.324 12.858 -0.088 1.00 0.00 H new ATOM 0 HB THR A 67 3.077 13.129 -1.065 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.142 11.872 -3.181 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.539 15.211 -2.343 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.556 15.084 -0.888 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.244 14.725 -2.489 1.00 0.00 H new ATOM 1047 N ALA A 68 5.268 9.969 -1.351 1.00 0.00 N ATOM 1048 CA ALA A 68 4.912 8.571 -1.163 1.00 0.00 C ATOM 1049 C ALA A 68 6.020 7.681 -1.693 1.00 0.00 C ATOM 1050 O ALA A 68 6.829 8.116 -2.511 1.00 0.00 O ATOM 1051 CB ALA A 68 3.599 8.251 -1.865 1.00 0.00 C ATOM 0 H ALA A 68 6.063 10.115 -1.973 1.00 0.00 H new ATOM 0 HA ALA A 68 4.784 8.385 -0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.351 7.201 -1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.805 8.875 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.700 8.448 -2.932 1.00 0.00 H new ATOM 1057 N GLU A 69 6.077 6.453 -1.208 1.00 0.00 N ATOM 1058 CA GLU A 69 7.035 5.484 -1.718 1.00 0.00 C ATOM 1059 C GLU A 69 6.332 4.531 -2.671 1.00 0.00 C ATOM 1060 O GLU A 69 6.663 4.454 -3.856 1.00 0.00 O ATOM 1061 CB GLU A 69 7.681 4.708 -0.569 1.00 0.00 C ATOM 1062 CG GLU A 69 8.755 3.731 -1.020 1.00 0.00 C ATOM 1063 CD GLU A 69 9.458 3.065 0.141 1.00 0.00 C ATOM 1064 OE1 GLU A 69 10.274 3.731 0.808 1.00 0.00 O ATOM 1065 OE2 GLU A 69 9.190 1.871 0.402 1.00 0.00 O ATOM 0 H GLU A 69 5.474 6.103 -0.464 1.00 0.00 H new ATOM 0 HA GLU A 69 7.823 6.012 -2.254 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.118 5.416 0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.907 4.161 -0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.304 2.967 -1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.488 4.259 -1.630 1.00 0.00 H new ATOM 1072 N ARG A 70 5.357 3.819 -2.133 1.00 0.00 N ATOM 1073 CA ARG A 70 4.515 2.927 -2.909 1.00 0.00 C ATOM 1074 C ARG A 70 3.079 3.119 -2.450 1.00 0.00 C ATOM 1075 O ARG A 70 2.852 3.614 -1.345 1.00 0.00 O ATOM 1076 CB ARG A 70 4.944 1.464 -2.713 1.00 0.00 C ATOM 1077 CG ARG A 70 6.380 1.176 -3.129 1.00 0.00 C ATOM 1078 CD ARG A 70 6.564 1.275 -4.635 1.00 0.00 C ATOM 1079 NE ARG A 70 5.969 0.140 -5.342 1.00 0.00 N ATOM 1080 CZ ARG A 70 5.506 0.200 -6.591 1.00 0.00 C ATOM 1081 NH1 ARG A 70 5.509 1.349 -7.252 1.00 0.00 N ATOM 1082 NH2 ARG A 70 5.036 -0.892 -7.181 1.00 0.00 N ATOM 0 H ARG A 70 5.126 3.844 -1.140 1.00 0.00 H new ATOM 0 HA ARG A 70 4.609 3.159 -3.970 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.821 1.198 -1.663 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.275 0.821 -3.285 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.049 1.880 -2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.662 0.178 -2.793 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.114 2.201 -4.994 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.628 1.327 -4.866 1.00 0.00 H new ATOM 0 HE ARG A 70 5.905 -0.751 -4.849 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.867 2.193 -6.805 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.154 1.389 -8.207 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.028 -1.780 -6.679 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.682 -0.843 -8.137 1.00 0.00 H new ATOM 1096 N GLN A 71 2.122 2.761 -3.290 1.00 0.00 N ATOM 1097 CA GLN A 71 0.717 2.882 -2.927 1.00 0.00 C ATOM 1098 C GLN A 71 0.429 2.124 -1.636 1.00 0.00 C ATOM 1099 O GLN A 71 0.695 0.925 -1.534 1.00 0.00 O ATOM 1100 CB GLN A 71 -0.184 2.370 -4.048 1.00 0.00 C ATOM 1101 CG GLN A 71 -0.091 3.192 -5.321 1.00 0.00 C ATOM 1102 CD GLN A 71 -1.096 2.767 -6.375 1.00 0.00 C ATOM 1103 OE1 GLN A 71 -2.251 2.287 -5.941 1.00 0.00 O flip ATOM 1104 NE2 GLN A 71 -0.843 2.880 -7.574 1.00 0.00 N flip ATOM 0 H GLN A 71 2.289 2.386 -4.224 1.00 0.00 H new ATOM 0 HA GLN A 71 0.503 3.939 -2.769 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.079 1.336 -4.272 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.217 2.368 -3.701 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.248 4.243 -5.080 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.915 3.105 -5.730 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.058 3.254 -7.872 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.534 2.600 -8.270 1.00 0.00 H new ATOM 1113 N ARG A 72 -0.118 2.833 -0.661 1.00 0.00 N ATOM 1114 CA ARG A 72 -0.373 2.270 0.659 1.00 0.00 C ATOM 1115 C ARG A 72 -1.647 1.426 0.663 1.00 0.00 C ATOM 1116 O ARG A 72 -2.569 1.663 1.448 1.00 0.00 O ATOM 1117 CB ARG A 72 -0.473 3.389 1.700 1.00 0.00 C ATOM 1118 CG ARG A 72 -1.489 4.464 1.343 1.00 0.00 C ATOM 1119 CD ARG A 72 -1.699 5.445 2.484 1.00 0.00 C ATOM 1120 NE ARG A 72 -0.503 6.235 2.772 1.00 0.00 N ATOM 1121 CZ ARG A 72 -0.536 7.533 3.072 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -1.693 8.180 3.068 1.00 0.00 N ATOM 1123 NH2 ARG A 72 0.585 8.185 3.364 1.00 0.00 N ATOM 0 H ARG A 72 -0.397 3.809 -0.759 1.00 0.00 H new ATOM 0 HA ARG A 72 0.462 1.619 0.917 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.739 2.955 2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.507 3.852 1.819 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.151 5.003 0.458 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.439 3.995 1.088 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.522 6.115 2.235 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.993 4.898 3.380 1.00 0.00 H new ATOM 0 HE ARG A 72 0.404 5.769 2.742 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.554 7.684 2.836 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.723 9.174 3.297 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.478 7.692 3.359 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.552 9.178 3.593 1.00 0.00 H new ATOM 1137 N LEU A 73 -1.682 0.429 -0.204 1.00 0.00 N ATOM 1138 CA LEU A 73 -2.844 -0.435 -0.326 1.00 0.00 C ATOM 1139 C LEU A 73 -2.900 -1.431 0.830 1.00 0.00 C ATOM 1140 O LEU A 73 -2.495 -2.586 0.700 1.00 0.00 O ATOM 1141 CB LEU A 73 -2.827 -1.173 -1.669 1.00 0.00 C ATOM 1142 CG LEU A 73 -4.070 -2.014 -1.971 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -5.302 -1.128 -2.079 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -3.874 -2.815 -3.250 1.00 0.00 C ATOM 0 H LEU A 73 -0.916 0.197 -0.836 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.738 0.188 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.703 -0.440 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.953 -1.824 -1.696 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.221 -2.712 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.175 -1.744 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.454 -0.599 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.161 -0.405 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.767 -3.407 -3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.697 -2.134 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.017 -3.479 -3.136 1.00 0.00 H new ATOM 1156 N LYS A 74 -3.366 -0.958 1.975 1.00 0.00 N ATOM 1157 CA LYS A 74 -3.548 -1.809 3.142 1.00 0.00 C ATOM 1158 C LYS A 74 -4.993 -1.753 3.611 1.00 0.00 C ATOM 1159 O LYS A 74 -5.303 -2.156 4.730 1.00 0.00 O ATOM 1160 CB LYS A 74 -2.629 -1.386 4.291 1.00 0.00 C ATOM 1161 CG LYS A 74 -1.146 -1.555 4.007 1.00 0.00 C ATOM 1162 CD LYS A 74 -0.338 -1.520 5.296 1.00 0.00 C ATOM 1163 CE LYS A 74 -0.483 -0.191 6.025 1.00 0.00 C ATOM 1164 NZ LYS A 74 0.003 -0.269 7.429 1.00 0.00 N ATOM 0 H LYS A 74 -3.627 0.017 2.122 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.292 -2.828 2.850 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.824 -0.340 4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.885 -1.967 5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.976 -2.501 3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.807 -0.763 3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.663 -2.329 5.950 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.714 -1.696 5.069 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.075 0.578 5.491 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.530 0.113 6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.114 0.657 7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.546 -0.985 7.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.009 -0.534 7.434 1.00 0.00 H new ATOM 1178 N GLU A 75 -5.867 -1.244 2.750 1.00 0.00 N ATOM 1179 CA GLU A 75 -7.282 -1.124 3.067 1.00 0.00 C ATOM 1180 C GLU A 75 -7.982 -2.453 2.796 1.00 0.00 C ATOM 1181 O GLU A 75 -8.263 -2.795 1.648 1.00 0.00 O ATOM 1182 CB GLU A 75 -7.906 0.008 2.242 1.00 0.00 C ATOM 1183 CG GLU A 75 -7.154 1.326 2.375 1.00 0.00 C ATOM 1184 CD GLU A 75 -7.726 2.424 1.505 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -7.503 2.394 0.278 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -8.397 3.329 2.047 1.00 0.00 O ATOM 0 H GLU A 75 -5.616 -0.906 1.821 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.403 -0.881 4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.930 -0.286 1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.940 0.152 2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.176 1.647 3.416 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.108 1.169 2.112 1.00 0.00 H new ATOM 1193 N PRO A 76 -8.269 -3.221 3.861 1.00 0.00 N ATOM 1194 CA PRO A 76 -8.716 -4.601 3.751 1.00 0.00 C ATOM 1195 C PRO A 76 -10.232 -4.754 3.773 1.00 0.00 C ATOM 1196 O PRO A 76 -10.751 -5.792 4.183 1.00 0.00 O ATOM 1197 CB PRO A 76 -8.100 -5.218 5.004 1.00 0.00 C ATOM 1198 CG PRO A 76 -8.119 -4.121 6.025 1.00 0.00 C ATOM 1199 CD PRO A 76 -8.181 -2.809 5.272 1.00 0.00 C ATOM 0 HA PRO A 76 -8.422 -5.061 2.808 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.673 -6.082 5.342 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -7.084 -5.564 4.815 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -8.979 -4.226 6.686 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -7.228 -4.163 6.652 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.045 -2.216 5.571 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -7.297 -2.199 5.457 1.00 0.00 H new ATOM 1207 N GLU A 77 -10.944 -3.730 3.330 1.00 0.00 N ATOM 1208 CA GLU A 77 -12.393 -3.782 3.307 1.00 0.00 C ATOM 1209 C GLU A 77 -12.890 -3.811 1.869 1.00 0.00 C ATOM 1210 O GLU A 77 -12.834 -2.807 1.157 1.00 0.00 O ATOM 1211 CB GLU A 77 -12.988 -2.595 4.063 1.00 0.00 C ATOM 1212 CG GLU A 77 -14.401 -2.857 4.555 1.00 0.00 C ATOM 1213 CD GLU A 77 -14.469 -4.081 5.441 1.00 0.00 C ATOM 1214 OE1 GLU A 77 -14.031 -3.999 6.610 1.00 0.00 O ATOM 1215 OE2 GLU A 77 -14.937 -5.140 4.973 1.00 0.00 O ATOM 0 H GLU A 77 -10.543 -2.858 2.984 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.719 -4.695 3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.351 -2.356 4.914 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.991 -1.721 3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.761 -1.988 5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.065 -2.989 3.701 1.00 0.00 H new ATOM 1222 N ARG A 78 -13.363 -4.974 1.449 1.00 0.00 N ATOM 1223 CA ARG A 78 -13.763 -5.192 0.068 1.00 0.00 C ATOM 1224 C ARG A 78 -15.008 -6.070 -0.001 1.00 0.00 C ATOM 1225 O ARG A 78 -15.885 -5.850 -0.837 1.00 0.00 O ATOM 1226 CB ARG A 78 -12.607 -5.848 -0.697 1.00 0.00 C ATOM 1227 CG ARG A 78 -12.856 -6.038 -2.186 1.00 0.00 C ATOM 1228 CD ARG A 78 -13.081 -4.712 -2.893 1.00 0.00 C ATOM 1229 NE ARG A 78 -13.053 -4.857 -4.347 1.00 0.00 N ATOM 1230 CZ ARG A 78 -13.831 -4.176 -5.185 1.00 0.00 C ATOM 1231 NH1 ARG A 78 -14.759 -3.347 -4.720 1.00 0.00 N ATOM 1232 NH2 ARG A 78 -13.686 -4.334 -6.495 1.00 0.00 N ATOM 0 H ARG A 78 -13.480 -5.789 2.052 1.00 0.00 H new ATOM 0 HA ARG A 78 -14.002 -4.231 -0.388 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.712 -5.240 -0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.399 -6.820 -0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.005 -6.550 -2.635 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.725 -6.679 -2.330 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -14.042 -4.297 -2.588 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.314 -4.002 -2.584 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.393 -5.525 -4.746 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.879 -3.229 -3.714 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.351 -2.829 -5.369 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.980 -4.976 -6.856 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.280 -3.814 -7.140 1.00 0.00 H new ATOM 1246 N GLU A 79 -15.090 -7.052 0.892 1.00 0.00 N ATOM 1247 CA GLU A 79 -16.185 -8.011 0.872 1.00 0.00 C ATOM 1248 C GLU A 79 -16.285 -8.746 2.205 1.00 0.00 C ATOM 1249 O GLU A 79 -15.370 -9.477 2.590 1.00 0.00 O ATOM 1250 CB GLU A 79 -15.960 -9.025 -0.253 1.00 0.00 C ATOM 1251 CG GLU A 79 -17.104 -10.007 -0.449 1.00 0.00 C ATOM 1252 CD GLU A 79 -16.711 -11.181 -1.322 1.00 0.00 C ATOM 1253 OE1 GLU A 79 -16.311 -10.960 -2.483 1.00 0.00 O ATOM 1254 OE2 GLU A 79 -16.774 -12.334 -0.839 1.00 0.00 O ATOM 0 H GLU A 79 -14.410 -7.203 1.638 1.00 0.00 H new ATOM 0 HA GLU A 79 -17.115 -7.469 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.797 -8.485 -1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.048 -9.585 -0.045 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -17.435 -10.374 0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -17.951 -9.489 -0.900 1.00 0.00 H new ATOM 1261 N ASN A 80 -17.386 -8.543 2.916 1.00 0.00 N ATOM 1262 CA ASN A 80 -17.633 -9.272 4.155 1.00 0.00 C ATOM 1263 C ASN A 80 -18.806 -10.233 3.981 1.00 0.00 C ATOM 1264 O ASN A 80 -18.617 -11.439 3.811 1.00 0.00 O ATOM 1265 CB ASN A 80 -17.917 -8.304 5.310 1.00 0.00 C ATOM 1266 CG ASN A 80 -18.047 -9.016 6.648 1.00 0.00 C ATOM 1267 OD1 ASN A 80 -19.134 -9.446 7.037 1.00 0.00 O ATOM 1268 ND2 ASN A 80 -16.939 -9.130 7.365 1.00 0.00 N ATOM 0 H ASN A 80 -18.120 -7.883 2.659 1.00 0.00 H new ATOM 0 HA ASN A 80 -16.737 -9.845 4.395 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -17.114 -7.569 5.370 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -18.836 -7.756 5.103 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -16.966 -9.588 8.276 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -16.059 -8.760 7.006 1.00 0.00 H new ATOM 1275 N ARG A 81 -20.015 -9.682 4.006 1.00 0.00 N ATOM 1276 CA ARG A 81 -21.238 -10.464 3.848 1.00 0.00 C ATOM 1277 C ARG A 81 -22.285 -9.659 3.100 1.00 0.00 C ATOM 1278 O ARG A 81 -22.591 -8.525 3.479 1.00 0.00 O ATOM 1279 CB ARG A 81 -21.815 -10.863 5.211 1.00 0.00 C ATOM 1280 CG ARG A 81 -21.033 -11.939 5.947 1.00 0.00 C ATOM 1281 CD ARG A 81 -21.543 -12.109 7.372 1.00 0.00 C ATOM 1282 NE ARG A 81 -20.848 -13.173 8.101 1.00 0.00 N ATOM 1283 CZ ARG A 81 -19.581 -13.096 8.517 1.00 0.00 C ATOM 1284 NH1 ARG A 81 -18.858 -12.006 8.281 1.00 0.00 N ATOM 1285 NH2 ARG A 81 -19.046 -14.102 9.196 1.00 0.00 N ATOM 0 H ARG A 81 -20.176 -8.683 4.136 1.00 0.00 H new ATOM 0 HA ARG A 81 -20.983 -11.362 3.286 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -21.865 -9.975 5.842 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -22.838 -11.211 5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -21.118 -12.885 5.412 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -19.975 -11.676 5.965 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -21.424 -11.169 7.910 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -22.610 -12.329 7.347 1.00 0.00 H new ATOM 0 HE ARG A 81 -21.365 -14.028 8.304 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -19.270 -11.220 7.779 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.891 -11.956 8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -19.602 -14.933 9.400 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -18.079 -14.045 9.514 1.00 0.00 H new ATOM 1299 N GLU A 82 -22.831 -10.236 2.044 1.00 0.00 N ATOM 1300 CA GLU A 82 -23.933 -9.618 1.327 1.00 0.00 C ATOM 1301 C GLU A 82 -24.976 -10.672 0.986 1.00 0.00 C ATOM 1302 O GLU A 82 -24.892 -11.801 1.477 1.00 0.00 O ATOM 1303 CB GLU A 82 -23.444 -8.891 0.071 1.00 0.00 C ATOM 1304 CG GLU A 82 -22.753 -9.782 -0.944 1.00 0.00 C ATOM 1305 CD GLU A 82 -22.251 -8.992 -2.132 1.00 0.00 C ATOM 1306 OE1 GLU A 82 -23.080 -8.580 -2.969 1.00 0.00 O ATOM 1307 OE2 GLU A 82 -21.028 -8.756 -2.219 1.00 0.00 O ATOM 0 H GLU A 82 -22.529 -11.133 1.663 1.00 0.00 H new ATOM 0 HA GLU A 82 -24.391 -8.867 1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -24.296 -8.408 -0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -22.756 -8.100 0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -21.917 -10.295 -0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -23.446 -10.551 -1.285 1.00 0.00 H new ATOM 1314 N LEU A 83 -25.950 -10.299 0.154 1.00 0.00 N ATOM 1315 CA LEU A 83 -27.107 -11.145 -0.138 1.00 0.00 C ATOM 1316 C LEU A 83 -27.944 -11.302 1.126 1.00 0.00 C ATOM 1317 O LEU A 83 -28.706 -12.260 1.272 1.00 0.00 O ATOM 1318 CB LEU A 83 -26.678 -12.512 -0.688 1.00 0.00 C ATOM 1319 CG LEU A 83 -25.898 -12.468 -2.005 1.00 0.00 C ATOM 1320 CD1 LEU A 83 -25.461 -13.868 -2.407 1.00 0.00 C ATOM 1321 CD2 LEU A 83 -26.739 -11.838 -3.106 1.00 0.00 C ATOM 0 H LEU A 83 -25.959 -9.404 -0.335 1.00 0.00 H new ATOM 0 HA LEU A 83 -27.708 -10.666 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -26.065 -13.012 0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -27.569 -13.124 -0.832 1.00 0.00 H new ATOM 0 HG LEU A 83 -25.009 -11.854 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -24.908 -13.821 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -24.822 -14.287 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -26.339 -14.501 -2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -26.167 -11.816 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -27.645 -12.425 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -27.008 -10.821 -2.821 1.00 0.00 H new ATOM 1333 N ARG A 84 -27.803 -10.308 2.008 1.00 0.00 N ATOM 1334 CA ARG A 84 -28.462 -10.273 3.311 1.00 0.00 C ATOM 1335 C ARG A 84 -27.920 -11.343 4.249 1.00 0.00 C ATOM 1336 O ARG A 84 -27.784 -12.513 3.890 1.00 0.00 O ATOM 1337 CB ARG A 84 -29.984 -10.375 3.178 1.00 0.00 C ATOM 1338 CG ARG A 84 -30.600 -9.177 2.473 1.00 0.00 C ATOM 1339 CD ARG A 84 -32.114 -9.240 2.496 1.00 0.00 C ATOM 1340 NE ARG A 84 -32.620 -10.437 1.837 1.00 0.00 N ATOM 1341 CZ ARG A 84 -33.364 -11.356 2.443 1.00 0.00 C ATOM 1342 NH1 ARG A 84 -33.645 -11.245 3.737 1.00 0.00 N ATOM 1343 NH2 ARG A 84 -33.811 -12.394 1.756 1.00 0.00 N ATOM 0 H ARG A 84 -27.217 -9.492 1.831 1.00 0.00 H new ATOM 0 HA ARG A 84 -28.234 -9.304 3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -30.235 -11.282 2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -30.424 -10.472 4.170 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -30.265 -8.258 2.954 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -30.251 -9.142 1.441 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -32.462 -9.220 3.529 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -32.521 -8.356 2.005 1.00 0.00 H new ATOM 0 HE ARG A 84 -32.390 -10.578 0.853 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -33.289 -10.451 4.270 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -34.217 -11.953 4.197 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -33.584 -12.486 0.766 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -34.383 -13.102 2.216 1.00 0.00 H new ATOM 1357 N ARG A 85 -27.597 -10.916 5.456 1.00 0.00 N ATOM 1358 CA ARG A 85 -27.015 -11.791 6.462 1.00 0.00 C ATOM 1359 C ARG A 85 -28.101 -12.579 7.186 1.00 0.00 C ATOM 1360 O ARG A 85 -29.229 -12.099 7.338 1.00 0.00 O ATOM 1361 CB ARG A 85 -26.212 -10.952 7.461 1.00 0.00 C ATOM 1362 CG ARG A 85 -27.038 -9.857 8.121 1.00 0.00 C ATOM 1363 CD ARG A 85 -26.168 -8.769 8.729 1.00 0.00 C ATOM 1364 NE ARG A 85 -25.400 -9.230 9.880 1.00 0.00 N ATOM 1365 CZ ARG A 85 -24.641 -8.429 10.626 1.00 0.00 C ATOM 1366 NH1 ARG A 85 -24.535 -7.139 10.325 1.00 0.00 N ATOM 1367 NH2 ARG A 85 -23.974 -8.915 11.665 1.00 0.00 N ATOM 0 H ARG A 85 -27.730 -9.954 5.768 1.00 0.00 H new ATOM 0 HA ARG A 85 -26.352 -12.504 5.971 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -25.805 -11.607 8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -25.364 -10.499 6.947 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -27.707 -9.415 7.383 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -27.665 -10.295 8.898 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -25.483 -8.392 7.969 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -26.799 -7.933 9.031 1.00 0.00 H new ATOM 0 HE ARG A 85 -25.447 -10.219 10.127 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -25.036 -6.760 9.521 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -23.953 -6.528 10.898 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -24.041 -9.906 11.896 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -23.394 -8.297 12.233 1.00 0.00 H new ATOM 1381 N SER A 86 -27.772 -13.785 7.625 1.00 0.00 N ATOM 1382 CA SER A 86 -28.713 -14.590 8.385 1.00 0.00 C ATOM 1383 C SER A 86 -28.622 -14.223 9.865 1.00 0.00 C ATOM 1384 O SER A 86 -27.907 -13.288 10.234 1.00 0.00 O ATOM 1385 CB SER A 86 -28.433 -16.082 8.174 1.00 0.00 C ATOM 1386 OG SER A 86 -29.497 -16.884 8.666 1.00 0.00 O ATOM 0 H SER A 86 -26.865 -14.225 7.468 1.00 0.00 H new ATOM 0 HA SER A 86 -29.725 -14.386 8.035 1.00 0.00 H new ATOM 0 HB2 SER A 86 -28.287 -16.280 7.112 1.00 0.00 H new ATOM 0 HB3 SER A 86 -27.506 -16.355 8.679 1.00 0.00 H new ATOM 0 HG SER A 86 -29.290 -17.830 8.516 1.00 0.00 H new ATOM 1392 N ASN A 87 -29.340 -14.946 10.703 1.00 0.00 N ATOM 1393 CA ASN A 87 -29.359 -14.663 12.131 1.00 0.00 C ATOM 1394 C ASN A 87 -29.398 -15.951 12.938 1.00 0.00 C ATOM 1395 O ASN A 87 -30.021 -16.935 12.537 1.00 0.00 O ATOM 1396 CB ASN A 87 -30.553 -13.767 12.500 1.00 0.00 C ATOM 1397 CG ASN A 87 -31.886 -14.309 12.015 1.00 0.00 C ATOM 1398 OD1 ASN A 87 -32.546 -15.093 12.701 1.00 0.00 O ATOM 1399 ND2 ASN A 87 -32.303 -13.876 10.834 1.00 0.00 N ATOM 0 H ASN A 87 -29.920 -15.736 10.422 1.00 0.00 H new ATOM 0 HA ASN A 87 -28.441 -14.129 12.376 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -30.589 -13.650 13.583 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -30.397 -12.774 12.077 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -33.199 -14.191 10.463 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -31.728 -13.227 10.296 1.00 0.00 H new ATOM 1406 N ASP A 88 -28.699 -15.943 14.062 1.00 0.00 N ATOM 1407 CA ASP A 88 -28.688 -17.076 14.973 1.00 0.00 C ATOM 1408 C ASP A 88 -28.981 -16.597 16.385 1.00 0.00 C ATOM 1409 O ASP A 88 -28.472 -15.561 16.820 1.00 0.00 O ATOM 1410 CB ASP A 88 -27.348 -17.820 14.916 1.00 0.00 C ATOM 1411 CG ASP A 88 -26.172 -16.972 15.364 1.00 0.00 C ATOM 1412 OD1 ASP A 88 -25.692 -16.139 14.568 1.00 0.00 O ATOM 1413 OD2 ASP A 88 -25.712 -17.142 16.512 1.00 0.00 O ATOM 0 H ASP A 88 -28.127 -15.156 14.367 1.00 0.00 H new ATOM 0 HA ASP A 88 -29.464 -17.778 14.667 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -27.407 -18.709 15.544 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -27.173 -18.162 13.896 1.00 0.00 H new ATOM 1418 N ILE A 89 -29.820 -17.337 17.089 1.00 0.00 N ATOM 1419 CA ILE A 89 -30.282 -16.926 18.406 1.00 0.00 C ATOM 1420 C ILE A 89 -30.027 -18.021 19.434 1.00 0.00 C ATOM 1421 O ILE A 89 -30.582 -19.116 19.339 1.00 0.00 O ATOM 1422 CB ILE A 89 -31.795 -16.565 18.414 1.00 0.00 C ATOM 1423 CG1 ILE A 89 -32.097 -15.365 17.502 1.00 0.00 C ATOM 1424 CG2 ILE A 89 -32.271 -16.271 19.834 1.00 0.00 C ATOM 1425 CD1 ILE A 89 -32.217 -15.712 16.032 1.00 0.00 C ATOM 0 H ILE A 89 -30.197 -18.229 16.770 1.00 0.00 H new ATOM 0 HA ILE A 89 -29.715 -16.032 18.668 1.00 0.00 H new ATOM 0 HB ILE A 89 -32.336 -17.429 18.027 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -33.026 -14.899 17.830 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -31.308 -14.623 17.625 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -33.332 -16.021 19.818 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -32.115 -17.150 20.459 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -31.706 -15.432 20.241 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -32.431 -14.808 15.461 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -31.281 -16.149 15.684 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -33.026 -16.429 15.892 1.00 0.00 H new ATOM 1437 N LEU A 90 -29.175 -17.724 20.401 1.00 0.00 N ATOM 1438 CA LEU A 90 -28.922 -18.644 21.496 1.00 0.00 C ATOM 1439 C LEU A 90 -29.890 -18.329 22.631 1.00 0.00 C ATOM 1440 O LEU A 90 -29.804 -17.273 23.261 1.00 0.00 O ATOM 1441 CB LEU A 90 -27.463 -18.533 21.967 1.00 0.00 C ATOM 1442 CG LEU A 90 -26.920 -19.736 22.753 1.00 0.00 C ATOM 1443 CD1 LEU A 90 -25.405 -19.662 22.835 1.00 0.00 C ATOM 1444 CD2 LEU A 90 -27.511 -19.806 24.157 1.00 0.00 C ATOM 0 H LEU A 90 -28.647 -16.853 20.450 1.00 0.00 H new ATOM 0 HA LEU A 90 -29.079 -19.670 21.162 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -26.830 -18.378 21.093 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -27.369 -17.644 22.590 1.00 0.00 H new ATOM 0 HG LEU A 90 -27.215 -20.640 22.220 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -25.029 -20.519 23.394 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -24.985 -19.672 21.829 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -25.113 -18.742 23.341 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -27.102 -20.670 24.681 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -27.259 -18.897 24.704 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -28.595 -19.901 24.091 1.00 0.00 H new ATOM 1456 N ARG A 91 -30.823 -19.233 22.875 1.00 0.00 N ATOM 1457 CA ARG A 91 -31.839 -19.016 23.890 1.00 0.00 C ATOM 1458 C ARG A 91 -31.386 -19.570 25.232 1.00 0.00 C ATOM 1459 O ARG A 91 -31.092 -20.757 25.362 1.00 0.00 O ATOM 1460 CB ARG A 91 -33.173 -19.641 23.473 1.00 0.00 C ATOM 1461 CG ARG A 91 -33.091 -21.118 23.115 1.00 0.00 C ATOM 1462 CD ARG A 91 -34.465 -21.688 22.807 1.00 0.00 C ATOM 1463 NE ARG A 91 -35.362 -21.607 23.960 1.00 0.00 N ATOM 1464 CZ ARG A 91 -36.673 -21.832 23.898 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -37.254 -22.092 22.730 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -37.408 -21.769 25.002 1.00 0.00 N ATOM 0 H ARG A 91 -30.898 -20.124 22.384 1.00 0.00 H new ATOM 0 HA ARG A 91 -31.986 -17.941 23.994 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -33.889 -19.516 24.286 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -33.565 -19.093 22.616 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -32.438 -21.250 22.252 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -32.642 -21.670 23.941 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -34.903 -21.147 21.968 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -34.365 -22.728 22.498 1.00 0.00 H new ATOM 0 HE ARG A 91 -34.959 -21.364 24.865 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -36.695 -22.120 21.877 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -38.259 -22.264 22.687 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -36.968 -21.549 25.896 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -38.412 -21.941 24.957 1.00 0.00 H new ATOM 1480 N LEU A 92 -31.324 -18.696 26.223 1.00 0.00 N ATOM 1481 CA LEU A 92 -30.929 -19.085 27.568 1.00 0.00 C ATOM 1482 C LEU A 92 -32.146 -19.634 28.307 1.00 0.00 C ATOM 1483 O LEU A 92 -32.037 -20.548 29.125 1.00 0.00 O ATOM 1484 CB LEU A 92 -30.330 -17.870 28.302 1.00 0.00 C ATOM 1485 CG LEU A 92 -29.575 -18.162 29.607 1.00 0.00 C ATOM 1486 CD1 LEU A 92 -28.628 -17.014 29.920 1.00 0.00 C ATOM 1487 CD2 LEU A 92 -30.542 -18.361 30.769 1.00 0.00 C ATOM 0 H LEU A 92 -31.544 -17.705 26.120 1.00 0.00 H new ATOM 0 HA LEU A 92 -30.168 -19.864 27.528 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -29.649 -17.361 27.620 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -31.138 -17.173 28.524 1.00 0.00 H new ATOM 0 HG LEU A 92 -29.007 -19.082 29.474 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -28.094 -17.225 30.847 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -27.912 -16.901 29.106 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -29.198 -16.092 30.032 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -29.979 -18.566 31.680 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -31.137 -17.458 30.906 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -31.202 -19.201 30.553 1.00 0.00 H new ATOM 1499 N ALA A 93 -33.310 -19.076 27.996 1.00 0.00 N ATOM 1500 CA ALA A 93 -34.550 -19.494 28.629 1.00 0.00 C ATOM 1501 C ALA A 93 -35.011 -20.851 28.101 1.00 0.00 C ATOM 1502 O ALA A 93 -35.799 -20.931 27.155 1.00 0.00 O ATOM 1503 CB ALA A 93 -35.630 -18.447 28.420 1.00 0.00 C ATOM 0 H ALA A 93 -33.419 -18.331 27.307 1.00 0.00 H new ATOM 0 HA ALA A 93 -34.364 -19.597 29.698 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -36.552 -18.775 28.900 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -35.310 -17.501 28.857 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -35.804 -18.312 27.353 1.00 0.00 H new ATOM 1509 N SER A 94 -34.474 -21.911 28.680 1.00 0.00 N ATOM 1510 CA SER A 94 -34.898 -23.262 28.365 1.00 0.00 C ATOM 1511 C SER A 94 -35.437 -23.937 29.623 1.00 0.00 C ATOM 1512 O SER A 94 -34.670 -24.432 30.454 1.00 0.00 O ATOM 1513 CB SER A 94 -33.729 -24.052 27.770 1.00 0.00 C ATOM 1514 OG SER A 94 -32.576 -23.959 28.594 1.00 0.00 O ATOM 0 H SER A 94 -33.734 -21.859 29.380 1.00 0.00 H new ATOM 0 HA SER A 94 -35.696 -23.231 27.623 1.00 0.00 H new ATOM 0 HB2 SER A 94 -34.014 -25.098 27.655 1.00 0.00 H new ATOM 0 HB3 SER A 94 -33.499 -23.673 26.774 1.00 0.00 H new ATOM 0 HG SER A 94 -32.823 -24.143 29.524 1.00 0.00 H new ATOM 1520 N ALA A 95 -36.755 -23.926 29.769 1.00 0.00 N ATOM 1521 CA ALA A 95 -37.408 -24.417 30.976 1.00 0.00 C ATOM 1522 C ALA A 95 -37.195 -25.915 31.166 1.00 0.00 C ATOM 1523 O ALA A 95 -37.546 -26.717 30.299 1.00 0.00 O ATOM 1524 CB ALA A 95 -38.895 -24.097 30.936 1.00 0.00 C ATOM 0 H ALA A 95 -37.399 -23.579 29.059 1.00 0.00 H new ATOM 0 HA ALA A 95 -36.954 -23.910 31.827 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -39.372 -24.469 31.843 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -39.033 -23.018 30.870 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -39.347 -24.575 30.067 1.00 0.00 H new ATOM 1530 N TYR A 96 -36.595 -26.269 32.304 1.00 0.00 N ATOM 1531 CA TYR A 96 -36.389 -27.666 32.699 1.00 0.00 C ATOM 1532 C TYR A 96 -35.477 -28.394 31.702 1.00 0.00 C ATOM 1533 O TYR A 96 -35.440 -29.624 31.651 1.00 0.00 O ATOM 1534 CB TYR A 96 -37.747 -28.376 32.823 1.00 0.00 C ATOM 1535 CG TYR A 96 -37.723 -29.639 33.657 1.00 0.00 C ATOM 1536 CD1 TYR A 96 -37.577 -29.578 35.035 1.00 0.00 C ATOM 1537 CD2 TYR A 96 -37.856 -30.890 33.068 1.00 0.00 C ATOM 1538 CE1 TYR A 96 -37.559 -30.725 35.804 1.00 0.00 C ATOM 1539 CE2 TYR A 96 -37.842 -32.043 33.829 1.00 0.00 C ATOM 1540 CZ TYR A 96 -37.693 -31.955 35.197 1.00 0.00 C ATOM 1541 OH TYR A 96 -37.682 -33.104 35.964 1.00 0.00 O ATOM 0 H TYR A 96 -36.237 -25.594 32.980 1.00 0.00 H new ATOM 0 HA TYR A 96 -35.892 -27.685 33.669 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -38.467 -27.682 33.258 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -38.106 -28.623 31.824 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -37.476 -28.616 35.515 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -37.972 -30.963 31.997 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -37.441 -30.658 36.875 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -37.947 -33.008 33.355 1.00 0.00 H new ATOM 0 HH TYR A 96 -37.004 -33.722 35.618 1.00 0.00 H new ATOM 1551 N PHE A 97 -34.714 -27.633 30.931 1.00 0.00 N ATOM 1552 CA PHE A 97 -33.862 -28.220 29.912 1.00 0.00 C ATOM 1553 C PHE A 97 -32.425 -28.340 30.411 1.00 0.00 C ATOM 1554 O PHE A 97 -31.586 -27.475 30.158 1.00 0.00 O ATOM 1555 CB PHE A 97 -33.924 -27.404 28.617 1.00 0.00 C ATOM 1556 CG PHE A 97 -33.246 -28.063 27.447 1.00 0.00 C ATOM 1557 CD1 PHE A 97 -33.842 -29.133 26.797 1.00 0.00 C ATOM 1558 CD2 PHE A 97 -32.018 -27.612 26.998 1.00 0.00 C ATOM 1559 CE1 PHE A 97 -33.223 -29.739 25.721 1.00 0.00 C ATOM 1560 CE2 PHE A 97 -31.394 -28.215 25.923 1.00 0.00 C ATOM 1561 CZ PHE A 97 -31.998 -29.280 25.283 1.00 0.00 C ATOM 0 H PHE A 97 -34.668 -26.616 30.992 1.00 0.00 H new ATOM 0 HA PHE A 97 -34.230 -29.223 29.698 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -34.968 -27.222 28.364 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -33.464 -26.431 28.790 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -34.801 -29.497 27.136 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -31.542 -26.779 27.493 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -33.698 -30.572 25.223 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -30.435 -27.854 25.583 1.00 0.00 H new ATOM 0 HZ PHE A 97 -31.512 -29.752 24.442 1.00 0.00 H new ATOM 1571 N ALA A 98 -32.173 -29.395 31.171 1.00 0.00 N ATOM 1572 CA ALA A 98 -30.827 -29.732 31.620 1.00 0.00 C ATOM 1573 C ALA A 98 -30.745 -31.227 31.903 1.00 0.00 C ATOM 1574 O ALA A 98 -30.733 -31.650 33.059 1.00 0.00 O ATOM 1575 CB ALA A 98 -30.447 -28.926 32.855 1.00 0.00 C ATOM 0 H ALA A 98 -32.893 -30.041 31.494 1.00 0.00 H new ATOM 0 HA ALA A 98 -30.118 -29.479 30.832 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -29.439 -29.196 33.170 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -30.481 -27.862 32.620 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -31.149 -29.142 33.661 1.00 0.00 H new ATOM 1581 N LYS A 99 -30.749 -32.016 30.825 1.00 0.00 N ATOM 1582 CA LYS A 99 -30.773 -33.482 30.903 1.00 0.00 C ATOM 1583 C LYS A 99 -32.117 -33.976 31.434 1.00 0.00 C ATOM 1584 O LYS A 99 -32.294 -35.174 31.673 1.00 0.00 O ATOM 1585 CB LYS A 99 -29.633 -34.023 31.773 1.00 0.00 C ATOM 1586 CG LYS A 99 -28.253 -33.808 31.176 1.00 0.00 C ATOM 1587 CD LYS A 99 -27.168 -34.364 32.081 1.00 0.00 C ATOM 1588 CE LYS A 99 -25.794 -34.232 31.447 1.00 0.00 C ATOM 1589 NZ LYS A 99 -25.413 -32.812 31.225 1.00 0.00 N ATOM 0 H LYS A 99 -30.736 -31.657 29.870 1.00 0.00 H new ATOM 0 HA LYS A 99 -30.632 -33.860 29.890 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -29.675 -33.543 32.751 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -29.787 -35.090 31.935 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -28.198 -34.290 30.200 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -28.086 -32.743 31.016 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -27.182 -33.836 33.035 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -27.372 -35.413 32.294 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -25.053 -34.710 32.088 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -25.782 -34.763 30.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -24.416 -32.761 30.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -26.012 -32.405 30.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -25.545 -32.275 32.106 1.00 0.00 H new ATOM 1603 N ALA A 100 -33.053 -33.034 31.593 1.00 0.00 N ATOM 1604 CA ALA A 100 -34.401 -33.294 32.107 1.00 0.00 C ATOM 1605 C ALA A 100 -34.377 -33.717 33.576 1.00 0.00 C ATOM 1606 O ALA A 100 -34.863 -32.984 34.440 1.00 0.00 O ATOM 1607 CB ALA A 100 -35.128 -34.327 31.254 1.00 0.00 C ATOM 0 H ALA A 100 -32.892 -32.053 31.364 1.00 0.00 H new ATOM 0 HA ALA A 100 -34.954 -32.357 32.046 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -36.125 -34.498 31.661 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -35.212 -33.960 30.231 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -34.568 -35.262 31.260 1.00 0.00 H new ATOM 1613 N GLU A 101 -33.788 -34.883 33.839 1.00 0.00 N ATOM 1614 CA GLU A 101 -33.752 -35.483 35.172 1.00 0.00 C ATOM 1615 C GLU A 101 -35.119 -36.060 35.536 1.00 0.00 C ATOM 1616 O GLU A 101 -36.088 -35.321 35.734 1.00 0.00 O ATOM 1617 CB GLU A 101 -33.273 -34.478 36.232 1.00 0.00 C ATOM 1618 CG GLU A 101 -33.178 -35.055 37.635 1.00 0.00 C ATOM 1619 CD GLU A 101 -32.753 -34.023 38.657 1.00 0.00 C ATOM 1620 OE1 GLU A 101 -33.592 -33.186 39.047 1.00 0.00 O ATOM 1621 OE2 GLU A 101 -31.574 -34.037 39.068 1.00 0.00 O ATOM 0 H GLU A 101 -33.319 -35.442 33.127 1.00 0.00 H new ATOM 0 HA GLU A 101 -33.030 -36.299 35.153 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -32.294 -34.097 35.940 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -33.955 -33.628 36.246 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -34.145 -35.468 37.921 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -32.465 -35.880 37.638 1.00 0.00 H new ATOM 1628 N PHE A 102 -35.169 -37.394 35.592 1.00 0.00 N ATOM 1629 CA PHE A 102 -36.378 -38.154 35.931 1.00 0.00 C ATOM 1630 C PHE A 102 -37.354 -38.208 34.761 1.00 0.00 C ATOM 1631 O PHE A 102 -37.328 -37.348 33.876 1.00 0.00 O ATOM 1632 CB PHE A 102 -37.074 -37.602 37.183 1.00 0.00 C ATOM 1633 CG PHE A 102 -36.229 -37.673 38.422 1.00 0.00 C ATOM 1634 CD1 PHE A 102 -35.711 -38.881 38.853 1.00 0.00 C ATOM 1635 CD2 PHE A 102 -35.945 -36.529 39.148 1.00 0.00 C ATOM 1636 CE1 PHE A 102 -34.927 -38.947 39.987 1.00 0.00 C ATOM 1637 CE2 PHE A 102 -35.160 -36.589 40.283 1.00 0.00 C ATOM 1638 CZ PHE A 102 -34.652 -37.800 40.704 1.00 0.00 C ATOM 0 H PHE A 102 -34.360 -37.985 35.401 1.00 0.00 H new ATOM 0 HA PHE A 102 -36.052 -39.170 36.152 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -37.355 -36.564 37.004 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -37.997 -38.158 37.350 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -35.922 -39.782 38.296 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -36.342 -35.579 38.823 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -34.529 -39.896 40.313 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -34.944 -35.689 40.840 1.00 0.00 H new ATOM 0 HZ PHE A 102 -34.040 -37.851 41.593 1.00 0.00 H new ATOM 1648 N ASP A 103 -38.190 -39.250 34.769 1.00 0.00 N ATOM 1649 CA ASP A 103 -39.204 -39.498 33.734 1.00 0.00 C ATOM 1650 C ASP A 103 -38.567 -40.077 32.469 1.00 0.00 C ATOM 1651 O ASP A 103 -37.365 -39.927 32.234 1.00 0.00 O ATOM 1652 CB ASP A 103 -40.012 -38.231 33.414 1.00 0.00 C ATOM 1653 CG ASP A 103 -41.227 -38.522 32.554 1.00 0.00 C ATOM 1654 OD1 ASP A 103 -41.926 -39.522 32.830 1.00 0.00 O ATOM 1655 OD2 ASP A 103 -41.504 -37.740 31.616 1.00 0.00 O ATOM 0 H ASP A 103 -38.183 -39.957 35.504 1.00 0.00 H new ATOM 0 HA ASP A 103 -39.901 -40.236 34.131 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -40.333 -37.763 34.345 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -39.371 -37.514 32.901 1.00 0.00 H new ATOM 1660 N ARG A 104 -39.371 -40.752 31.662 1.00 0.00 N ATOM 1661 CA ARG A 104 -38.878 -41.425 30.468 1.00 0.00 C ATOM 1662 C ARG A 104 -39.941 -41.424 29.375 1.00 0.00 C ATOM 1663 O ARG A 104 -41.094 -41.075 29.619 1.00 0.00 O ATOM 1664 CB ARG A 104 -38.453 -42.861 30.795 1.00 0.00 C ATOM 1665 CG ARG A 104 -39.454 -43.614 31.654 1.00 0.00 C ATOM 1666 CD ARG A 104 -39.030 -45.056 31.884 1.00 0.00 C ATOM 1667 NE ARG A 104 -37.675 -45.154 32.425 1.00 0.00 N ATOM 1668 CZ ARG A 104 -37.335 -45.920 33.460 1.00 0.00 C ATOM 1669 NH1 ARG A 104 -38.256 -46.638 34.093 1.00 0.00 N ATOM 1670 NH2 ARG A 104 -36.070 -45.966 33.858 1.00 0.00 N ATOM 0 H ARG A 104 -40.375 -40.849 31.813 1.00 0.00 H new ATOM 0 HA ARG A 104 -38.007 -40.880 30.105 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -38.304 -43.407 29.864 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -37.492 -42.838 31.309 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -39.561 -43.109 32.614 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -40.432 -43.595 31.173 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -39.729 -45.533 32.571 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -39.084 -45.603 30.943 1.00 0.00 H new ATOM 0 HE ARG A 104 -36.943 -44.600 31.981 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -39.228 -46.604 33.787 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -37.991 -47.223 34.885 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -35.362 -45.416 33.372 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -35.806 -46.551 34.650 1.00 0.00 H new ATOM 1684 N LEU A 105 -39.548 -41.833 28.177 1.00 0.00 N ATOM 1685 CA LEU A 105 -40.437 -41.828 27.020 1.00 0.00 C ATOM 1686 C LEU A 105 -40.830 -43.252 26.649 1.00 0.00 C ATOM 1687 O LEU A 105 -41.065 -43.564 25.480 1.00 0.00 O ATOM 1688 CB LEU A 105 -39.740 -41.158 25.835 1.00 0.00 C ATOM 1689 CG LEU A 105 -39.243 -39.736 26.094 1.00 0.00 C ATOM 1690 CD1 LEU A 105 -38.475 -39.212 24.891 1.00 0.00 C ATOM 1691 CD2 LEU A 105 -40.408 -38.817 26.425 1.00 0.00 C ATOM 0 H LEU A 105 -38.608 -42.177 27.978 1.00 0.00 H new ATOM 0 HA LEU A 105 -41.338 -41.269 27.272 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -38.892 -41.774 25.537 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -40.431 -41.137 24.992 1.00 0.00 H new ATOM 0 HG LEU A 105 -38.568 -39.758 26.949 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -38.129 -38.198 25.094 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -37.617 -39.857 24.698 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -39.127 -39.205 24.018 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -40.036 -37.809 26.607 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -41.107 -38.801 25.589 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -40.917 -39.182 27.317 1.00 0.00 H new ATOM 1703 N TRP A 106 -40.921 -44.107 27.653 1.00 0.00 N ATOM 1704 CA TRP A 106 -41.211 -45.517 27.437 1.00 0.00 C ATOM 1705 C TRP A 106 -42.713 -45.785 27.573 1.00 0.00 C ATOM 1706 O TRP A 106 -43.155 -46.934 27.513 1.00 0.00 O ATOM 1707 CB TRP A 106 -40.415 -46.360 28.442 1.00 0.00 C ATOM 1708 CG TRP A 106 -40.235 -47.789 28.032 1.00 0.00 C ATOM 1709 CD1 TRP A 106 -40.978 -48.858 28.438 1.00 0.00 C ATOM 1710 CD2 TRP A 106 -39.234 -48.307 27.148 1.00 0.00 C ATOM 1711 NE1 TRP A 106 -40.508 -50.007 27.855 1.00 0.00 N ATOM 1712 CE2 TRP A 106 -39.437 -49.697 27.057 1.00 0.00 C ATOM 1713 CE3 TRP A 106 -38.194 -47.729 26.416 1.00 0.00 C ATOM 1714 CZ2 TRP A 106 -38.634 -50.517 26.269 1.00 0.00 C ATOM 1715 CZ3 TRP A 106 -37.395 -48.544 25.640 1.00 0.00 C ATOM 1716 CH2 TRP A 106 -37.621 -49.925 25.568 1.00 0.00 C ATOM 0 H TRP A 106 -40.798 -43.849 28.632 1.00 0.00 H new ATOM 0 HA TRP A 106 -40.913 -45.794 26.426 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -39.434 -45.907 28.583 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -40.922 -46.331 29.407 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -41.815 -48.807 29.119 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -40.893 -50.941 27.993 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -38.018 -46.664 26.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -38.805 -51.582 26.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -36.581 -48.110 25.078 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -36.982 -50.534 24.946 1.00 0.00 H new ATOM 1727 N LYS A 107 -43.485 -44.707 27.748 1.00 0.00 N ATOM 1728 CA LYS A 107 -44.938 -44.775 27.918 1.00 0.00 C ATOM 1729 C LYS A 107 -45.301 -45.400 29.264 1.00 0.00 C ATOM 1730 O LYS A 107 -45.073 -46.586 29.491 1.00 0.00 O ATOM 1731 CB LYS A 107 -45.605 -45.539 26.766 1.00 0.00 C ATOM 1732 CG LYS A 107 -47.121 -45.557 26.851 1.00 0.00 C ATOM 1733 CD LYS A 107 -47.737 -46.271 25.664 1.00 0.00 C ATOM 1734 CE LYS A 107 -49.256 -46.265 25.733 1.00 0.00 C ATOM 1735 NZ LYS A 107 -49.806 -44.884 25.718 1.00 0.00 N ATOM 0 H LYS A 107 -43.115 -43.757 27.776 1.00 0.00 H new ATOM 0 HA LYS A 107 -45.318 -43.753 27.901 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -45.307 -45.087 25.820 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -45.237 -46.565 26.759 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -47.429 -46.050 27.773 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -47.496 -44.534 26.896 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -47.412 -45.790 24.741 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -47.378 -47.300 25.631 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -49.660 -46.826 24.890 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -49.580 -46.775 26.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -50.828 -44.919 25.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -49.641 -44.434 26.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -49.335 -44.331 24.974 1.00 0.00 H new ATOM 1749 N LYS A 108 -45.857 -44.573 30.149 1.00 0.00 N ATOM 1750 CA LYS A 108 -46.242 -44.992 31.499 1.00 0.00 C ATOM 1751 C LYS A 108 -45.023 -45.410 32.314 1.00 0.00 C ATOM 1752 O LYS A 108 -44.436 -44.538 32.986 1.00 0.00 O ATOM 1753 CB LYS A 108 -47.269 -46.126 31.454 1.00 0.00 C ATOM 1754 CG LYS A 108 -48.597 -45.720 30.839 1.00 0.00 C ATOM 1755 CD LYS A 108 -49.567 -46.885 30.813 1.00 0.00 C ATOM 1756 CE LYS A 108 -50.912 -46.481 30.236 1.00 0.00 C ATOM 1757 NZ LYS A 108 -51.856 -47.624 30.195 1.00 0.00 N ATOM 1758 OXT LYS A 108 -44.645 -46.599 32.278 1.00 0.00 O ATOM 0 H LYS A 108 -46.054 -43.592 29.951 1.00 0.00 H new ATOM 0 HA LYS A 108 -46.702 -44.134 31.989 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -46.854 -46.958 30.885 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -47.443 -46.488 32.467 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -49.028 -44.897 31.409 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -48.435 -45.355 29.825 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -49.145 -47.697 30.220 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -49.705 -47.267 31.825 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -51.339 -45.677 30.836 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -50.773 -46.087 29.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -52.764 -47.311 29.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -51.459 -48.381 29.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -52.008 -47.983 31.159 1.00 0.00 H new TER 1772 LYS A 108