USER MOD reduce.3.24.130724 H: found=0, std=0, add=883, rem=0, adj=28 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 X(o=0.12,f=0.056) USER MOD Set 1.2: A 58 THR OG1 : rot -9:sc= 0.123 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -135:sc= 0.102 (180deg=-0.0367) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0525 USER MOD Single : A 3 LYS NZ :NH3+ 166:sc= -0.0189 (180deg=-0.284) USER MOD Single : A 4 ASN : amide:sc= 0.239 K(o=0.24,f=-4.4!) USER MOD Single : A 5 THR OG1 : rot -170:sc= -0.0422 USER MOD Single : A 8 SER OG : rot 180:sc= 0.00754 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 18 MET CE :methyl -124:sc= -1.27 (180deg=-2.23!) USER MOD Single : A 22 SER OG : rot -103:sc= 1.08 USER MOD Single : A 23 GLN :FLIP amide:sc= -0.546 F(o=-2.4!,f=-0.55) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc=-0.000734 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 32 THR OG1 : rot -12:sc= 1.04 USER MOD Single : A 34 CYS SG : rot 7:sc= 0.726 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0429) USER MOD Single : A 42 CYS SG : rot 80:sc= -1.38 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0937 USER MOD Single : A 53 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.72) USER MOD Single : A 66 THR OG1 : rot 106:sc= 1.23 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.599 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.011 F(o=-1.1,f=-0.011) USER MOD Single : A 74 LYS NZ :NH3+ -166:sc= -0.0394 (180deg=-0.241) USER MOD Single : A 80 ASN : amide:sc= -0.165 K(o=-0.17,f=-2.4!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.15) USER MOD Single : A 107 LYS NZ :NH3+ -165:sc= -0.042 (180deg=-0.25) USER MOD Single : A 108 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0251) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.553 -27.707 9.788 1.00 0.00 N ATOM 2 CA MET A 1 8.723 -27.024 11.090 1.00 0.00 C ATOM 3 C MET A 1 8.886 -25.525 10.874 1.00 0.00 C ATOM 4 O MET A 1 8.550 -25.013 9.806 1.00 0.00 O ATOM 5 CB MET A 1 9.930 -27.590 11.844 1.00 0.00 C ATOM 6 CG MET A 1 9.730 -29.020 12.323 1.00 0.00 C ATOM 7 SD MET A 1 11.138 -29.654 13.254 1.00 0.00 S ATOM 8 CE MET A 1 10.528 -31.275 13.714 1.00 0.00 C ATOM 0 H1 MET A 1 7.776 -28.395 9.856 1.00 0.00 H new ATOM 0 H2 MET A 1 8.330 -27.005 9.054 1.00 0.00 H new ATOM 0 H3 MET A 1 9.433 -28.202 9.538 1.00 0.00 H new ATOM 0 HA MET A 1 7.833 -27.199 11.694 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.805 -27.552 11.195 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.143 -26.954 12.703 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.838 -29.067 12.947 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.551 -29.664 11.462 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.286 -31.797 14.298 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.622 -31.167 14.310 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.304 -31.848 12.814 1.00 0.00 H new ATOM 20 N THR A 2 9.402 -24.836 11.882 1.00 0.00 N ATOM 21 CA THR A 2 9.521 -23.384 11.852 1.00 0.00 C ATOM 22 C THR A 2 10.426 -22.881 10.722 1.00 0.00 C ATOM 23 O THR A 2 11.646 -23.050 10.756 1.00 0.00 O ATOM 24 CB THR A 2 10.053 -22.867 13.200 1.00 0.00 C ATOM 25 OG1 THR A 2 11.030 -23.781 13.714 1.00 0.00 O ATOM 26 CG2 THR A 2 8.924 -22.704 14.203 1.00 0.00 C ATOM 0 H THR A 2 9.749 -25.265 12.740 1.00 0.00 H new ATOM 0 HA THR A 2 8.520 -22.995 11.665 1.00 0.00 H new ATOM 0 HB THR A 2 10.512 -21.891 13.039 1.00 0.00 H new ATOM 0 HG1 THR A 2 11.369 -23.449 14.572 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.326 -22.338 15.147 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.195 -21.991 13.818 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.439 -23.667 14.365 1.00 0.00 H new ATOM 34 N LYS A 3 9.806 -22.303 9.703 1.00 0.00 N ATOM 35 CA LYS A 3 10.519 -21.539 8.689 1.00 0.00 C ATOM 36 C LYS A 3 9.792 -20.228 8.442 1.00 0.00 C ATOM 37 O LYS A 3 10.213 -19.400 7.630 1.00 0.00 O ATOM 38 CB LYS A 3 10.655 -22.321 7.382 1.00 0.00 C ATOM 39 CG LYS A 3 12.061 -22.835 7.144 1.00 0.00 C ATOM 40 CD LYS A 3 12.190 -23.499 5.787 1.00 0.00 C ATOM 41 CE LYS A 3 13.606 -23.993 5.545 1.00 0.00 C ATOM 42 NZ LYS A 3 14.034 -24.975 6.575 1.00 0.00 N ATOM 0 H LYS A 3 8.798 -22.350 9.556 1.00 0.00 H new ATOM 0 HA LYS A 3 11.526 -21.341 9.057 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.963 -23.163 7.395 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.362 -21.681 6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 3 12.768 -22.008 7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.326 -23.548 7.925 1.00 0.00 H new ATOM 0 HD2 LYS A 3 11.495 -24.336 5.722 1.00 0.00 H new ATOM 0 HD3 LYS A 3 11.911 -22.792 5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 3 13.667 -24.452 4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 3 14.291 -23.145 5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 14.895 -25.462 6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 14.230 -24.479 7.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 13.277 -25.673 6.725 1.00 0.00 H new ATOM 56 N ASN A 4 8.692 -20.050 9.160 1.00 0.00 N ATOM 57 CA ASN A 4 7.901 -18.829 9.085 1.00 0.00 C ATOM 58 C ASN A 4 8.394 -17.826 10.118 1.00 0.00 C ATOM 59 O ASN A 4 7.866 -16.720 10.228 1.00 0.00 O ATOM 60 CB ASN A 4 6.414 -19.127 9.319 1.00 0.00 C ATOM 61 CG ASN A 4 6.124 -19.662 10.714 1.00 0.00 C ATOM 62 OD1 ASN A 4 6.968 -20.313 11.334 1.00 0.00 O ATOM 63 ND2 ASN A 4 4.925 -19.399 11.214 1.00 0.00 N ATOM 0 H ASN A 4 8.323 -20.745 9.809 1.00 0.00 H new ATOM 0 HA ASN A 4 8.016 -18.407 8.087 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.838 -18.216 9.159 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.075 -19.853 8.580 1.00 0.00 H new ATOM 0 HD21 ASN A 4 4.674 -19.739 12.142 1.00 0.00 H new ATOM 0 HD22 ASN A 4 4.253 -18.857 10.670 1.00 0.00 H new ATOM 70 N THR A 5 9.408 -18.229 10.876 1.00 0.00 N ATOM 71 CA THR A 5 10.001 -17.379 11.892 1.00 0.00 C ATOM 72 C THR A 5 10.777 -16.235 11.246 1.00 0.00 C ATOM 73 O THR A 5 11.968 -16.355 10.950 1.00 0.00 O ATOM 74 CB THR A 5 10.935 -18.190 12.806 1.00 0.00 C ATOM 75 OG1 THR A 5 10.284 -19.407 13.193 1.00 0.00 O ATOM 76 CG2 THR A 5 11.307 -17.393 14.048 1.00 0.00 C ATOM 0 H THR A 5 9.838 -19.151 10.801 1.00 0.00 H new ATOM 0 HA THR A 5 9.194 -16.964 12.496 1.00 0.00 H new ATOM 0 HB THR A 5 11.849 -18.416 12.256 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.806 -19.848 13.895 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.968 -17.988 14.678 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.816 -16.476 13.753 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.403 -17.143 14.604 1.00 0.00 H new ATOM 84 N ARG A 6 10.076 -15.142 10.995 1.00 0.00 N ATOM 85 CA ARG A 6 10.672 -13.976 10.369 1.00 0.00 C ATOM 86 C ARG A 6 10.913 -12.890 11.410 1.00 0.00 C ATOM 87 O ARG A 6 10.140 -12.752 12.357 1.00 0.00 O ATOM 88 CB ARG A 6 9.748 -13.454 9.262 1.00 0.00 C ATOM 89 CG ARG A 6 10.358 -12.349 8.413 1.00 0.00 C ATOM 90 CD ARG A 6 11.566 -12.847 7.632 1.00 0.00 C ATOM 91 NE ARG A 6 11.228 -13.968 6.756 1.00 0.00 N ATOM 92 CZ ARG A 6 10.806 -13.834 5.498 1.00 0.00 C ATOM 93 NH1 ARG A 6 10.634 -12.621 4.981 1.00 0.00 N ATOM 94 NH2 ARG A 6 10.547 -14.914 4.769 1.00 0.00 N ATOM 0 H ARG A 6 9.086 -15.039 11.218 1.00 0.00 H new ATOM 0 HA ARG A 6 11.629 -14.256 9.929 1.00 0.00 H new ATOM 0 HB2 ARG A 6 9.471 -14.285 8.613 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.829 -13.083 9.716 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.609 -11.965 7.720 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.655 -11.519 9.054 1.00 0.00 H new ATOM 0 HD2 ARG A 6 11.974 -12.031 7.035 1.00 0.00 H new ATOM 0 HD3 ARG A 6 12.347 -13.154 8.328 1.00 0.00 H new ATOM 0 HE ARG A 6 11.321 -14.912 7.131 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.825 -11.794 5.547 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.311 -12.518 4.019 1.00 0.00 H new ATOM 0 HH21 ARG A 6 10.671 -15.843 5.172 1.00 0.00 H new ATOM 0 HH22 ARG A 6 10.224 -14.814 3.807 1.00 0.00 H new ATOM 108 N PHE A 7 11.994 -12.140 11.244 1.00 0.00 N ATOM 109 CA PHE A 7 12.287 -11.026 12.132 1.00 0.00 C ATOM 110 C PHE A 7 11.235 -9.938 11.966 1.00 0.00 C ATOM 111 O PHE A 7 11.004 -9.453 10.856 1.00 0.00 O ATOM 112 CB PHE A 7 13.681 -10.459 11.852 1.00 0.00 C ATOM 113 CG PHE A 7 14.792 -11.434 12.125 1.00 0.00 C ATOM 114 CD1 PHE A 7 15.287 -11.596 13.409 1.00 0.00 C ATOM 115 CD2 PHE A 7 15.337 -12.190 11.100 1.00 0.00 C ATOM 116 CE1 PHE A 7 16.308 -12.492 13.665 1.00 0.00 C ATOM 117 CE2 PHE A 7 16.358 -13.088 11.350 1.00 0.00 C ATOM 118 CZ PHE A 7 16.844 -13.238 12.634 1.00 0.00 C ATOM 0 H PHE A 7 12.681 -12.283 10.504 1.00 0.00 H new ATOM 0 HA PHE A 7 12.266 -11.389 13.159 1.00 0.00 H new ATOM 0 HB2 PHE A 7 13.733 -10.143 10.810 1.00 0.00 H new ATOM 0 HB3 PHE A 7 13.832 -9.569 12.463 1.00 0.00 H new ATOM 0 HD1 PHE A 7 14.870 -11.016 14.219 1.00 0.00 H new ATOM 0 HD2 PHE A 7 14.960 -12.077 10.094 1.00 0.00 H new ATOM 0 HE1 PHE A 7 16.686 -12.608 14.670 1.00 0.00 H new ATOM 0 HE2 PHE A 7 16.775 -13.671 10.542 1.00 0.00 H new ATOM 0 HZ PHE A 7 17.642 -13.938 12.832 1.00 0.00 H new ATOM 128 N SER A 8 10.588 -9.585 13.066 1.00 0.00 N ATOM 129 CA SER A 8 9.558 -8.560 13.062 1.00 0.00 C ATOM 130 C SER A 8 10.094 -7.252 12.479 1.00 0.00 C ATOM 131 O SER A 8 11.220 -6.841 12.786 1.00 0.00 O ATOM 132 CB SER A 8 9.057 -8.335 14.488 1.00 0.00 C ATOM 133 OG SER A 8 8.747 -9.570 15.109 1.00 0.00 O ATOM 0 H SER A 8 10.761 -9.999 13.982 1.00 0.00 H new ATOM 0 HA SER A 8 8.732 -8.896 12.435 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.817 -7.811 15.068 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.173 -7.698 14.472 1.00 0.00 H new ATOM 0 HG SER A 8 8.430 -9.407 16.022 1.00 0.00 H new ATOM 139 N PRO A 9 9.296 -6.589 11.622 1.00 0.00 N ATOM 140 CA PRO A 9 9.692 -5.344 10.959 1.00 0.00 C ATOM 141 C PRO A 9 10.135 -4.283 11.954 1.00 0.00 C ATOM 142 O PRO A 9 11.020 -3.486 11.664 1.00 0.00 O ATOM 143 CB PRO A 9 8.424 -4.893 10.219 1.00 0.00 C ATOM 144 CG PRO A 9 7.318 -5.708 10.797 1.00 0.00 C ATOM 145 CD PRO A 9 7.942 -7.003 11.226 1.00 0.00 C ATOM 0 HA PRO A 9 10.545 -5.494 10.297 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.243 -3.828 10.362 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.515 -5.059 9.146 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.857 -5.197 11.643 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.532 -5.878 10.061 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.399 -7.460 12.053 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.961 -7.732 10.416 1.00 0.00 H new ATOM 153 N GLU A 10 9.522 -4.296 13.133 1.00 0.00 N ATOM 154 CA GLU A 10 9.865 -3.364 14.196 1.00 0.00 C ATOM 155 C GLU A 10 11.330 -3.508 14.600 1.00 0.00 C ATOM 156 O GLU A 10 12.034 -2.515 14.778 1.00 0.00 O ATOM 157 CB GLU A 10 8.965 -3.609 15.403 1.00 0.00 C ATOM 158 CG GLU A 10 9.161 -2.614 16.532 1.00 0.00 C ATOM 159 CD GLU A 10 8.191 -2.850 17.666 1.00 0.00 C ATOM 160 OE1 GLU A 10 7.072 -2.298 17.619 1.00 0.00 O ATOM 161 OE2 GLU A 10 8.536 -3.606 18.599 1.00 0.00 O ATOM 0 H GLU A 10 8.778 -4.950 13.376 1.00 0.00 H new ATOM 0 HA GLU A 10 9.713 -2.349 13.828 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.924 -3.576 15.080 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.149 -4.614 15.782 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.182 -2.687 16.907 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.033 -1.601 16.150 1.00 0.00 H new ATOM 168 N VAL A 11 11.786 -4.749 14.725 1.00 0.00 N ATOM 169 CA VAL A 11 13.159 -5.026 15.126 1.00 0.00 C ATOM 170 C VAL A 11 14.127 -4.619 14.018 1.00 0.00 C ATOM 171 O VAL A 11 15.150 -3.986 14.273 1.00 0.00 O ATOM 172 CB VAL A 11 13.357 -6.523 15.459 1.00 0.00 C ATOM 173 CG1 VAL A 11 14.772 -6.786 15.948 1.00 0.00 C ATOM 174 CG2 VAL A 11 12.339 -6.982 16.495 1.00 0.00 C ATOM 0 H VAL A 11 11.222 -5.582 14.554 1.00 0.00 H new ATOM 0 HA VAL A 11 13.365 -4.442 16.023 1.00 0.00 H new ATOM 0 HB VAL A 11 13.201 -7.097 14.545 1.00 0.00 H new ATOM 0 HG11 VAL A 11 14.887 -7.846 16.176 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.484 -6.502 15.173 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.961 -6.199 16.847 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.495 -8.038 16.716 1.00 0.00 H new ATOM 0 HG22 VAL A 11 12.461 -6.399 17.408 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.332 -6.838 16.104 1.00 0.00 H new ATOM 184 N ARG A 12 13.778 -4.971 12.786 1.00 0.00 N ATOM 185 CA ARG A 12 14.587 -4.629 11.623 1.00 0.00 C ATOM 186 C ARG A 12 14.682 -3.111 11.464 1.00 0.00 C ATOM 187 O ARG A 12 15.748 -2.563 11.177 1.00 0.00 O ATOM 188 CB ARG A 12 13.975 -5.265 10.371 1.00 0.00 C ATOM 189 CG ARG A 12 14.786 -5.054 9.104 1.00 0.00 C ATOM 190 CD ARG A 12 14.193 -5.820 7.929 1.00 0.00 C ATOM 191 NE ARG A 12 12.884 -5.304 7.526 1.00 0.00 N ATOM 192 CZ ARG A 12 11.789 -6.057 7.396 1.00 0.00 C ATOM 193 NH1 ARG A 12 11.821 -7.351 7.699 1.00 0.00 N ATOM 194 NH2 ARG A 12 10.659 -5.512 6.967 1.00 0.00 N ATOM 0 H ARG A 12 12.933 -5.498 12.566 1.00 0.00 H new ATOM 0 HA ARG A 12 15.596 -5.017 11.762 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.860 -6.335 10.541 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.976 -4.856 10.221 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.822 -3.991 8.866 1.00 0.00 H new ATOM 0 HG3 ARG A 12 15.813 -5.378 9.270 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.877 -5.766 7.082 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.098 -6.872 8.196 1.00 0.00 H new ATOM 0 HE ARG A 12 12.803 -4.306 7.332 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.686 -7.775 8.033 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.980 -7.920 7.597 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.627 -4.519 6.737 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.822 -6.086 6.867 1.00 0.00 H new ATOM 208 N GLN A 13 13.554 -2.447 11.674 1.00 0.00 N ATOM 209 CA GLN A 13 13.469 -0.996 11.588 1.00 0.00 C ATOM 210 C GLN A 13 14.287 -0.344 12.701 1.00 0.00 C ATOM 211 O GLN A 13 15.077 0.566 12.450 1.00 0.00 O ATOM 212 CB GLN A 13 12.005 -0.569 11.686 1.00 0.00 C ATOM 213 CG GLN A 13 11.766 0.921 11.541 1.00 0.00 C ATOM 214 CD GLN A 13 10.291 1.268 11.602 1.00 0.00 C ATOM 215 OE1 GLN A 13 9.436 0.478 11.193 1.00 0.00 O ATOM 216 NE2 GLN A 13 9.974 2.443 12.117 1.00 0.00 N ATOM 0 H GLN A 13 12.671 -2.900 11.909 1.00 0.00 H new ATOM 0 HA GLN A 13 13.878 -0.670 10.632 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.437 -1.090 10.916 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.610 -0.894 12.649 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.296 1.452 12.332 1.00 0.00 H new ATOM 0 HG3 GLN A 13 12.180 1.264 10.593 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.708 3.071 12.445 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.995 2.722 12.186 1.00 0.00 H new ATOM 225 N ARG A 14 14.102 -0.829 13.928 1.00 0.00 N ATOM 226 CA ARG A 14 14.823 -0.308 15.085 1.00 0.00 C ATOM 227 C ARG A 14 16.327 -0.491 14.916 1.00 0.00 C ATOM 228 O ARG A 14 17.111 0.371 15.311 1.00 0.00 O ATOM 229 CB ARG A 14 14.350 -1.009 16.361 1.00 0.00 C ATOM 230 CG ARG A 14 15.057 -0.540 17.622 1.00 0.00 C ATOM 231 CD ARG A 14 14.591 -1.318 18.840 1.00 0.00 C ATOM 232 NE ARG A 14 13.175 -1.104 19.123 1.00 0.00 N ATOM 233 CZ ARG A 14 12.300 -2.083 19.353 1.00 0.00 C ATOM 234 NH1 ARG A 14 12.678 -3.357 19.294 1.00 0.00 N ATOM 235 NH2 ARG A 14 11.042 -1.784 19.645 1.00 0.00 N ATOM 0 H ARG A 14 13.455 -1.587 14.146 1.00 0.00 H new ATOM 0 HA ARG A 14 14.614 0.759 15.165 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.278 -0.847 16.476 1.00 0.00 H new ATOM 0 HB3 ARG A 14 14.500 -2.083 16.250 1.00 0.00 H new ATOM 0 HG2 ARG A 14 16.134 -0.659 17.503 1.00 0.00 H new ATOM 0 HG3 ARG A 14 14.868 0.523 17.773 1.00 0.00 H new ATOM 0 HD2 ARG A 14 14.771 -2.381 18.681 1.00 0.00 H new ATOM 0 HD3 ARG A 14 15.182 -1.021 19.707 1.00 0.00 H new ATOM 0 HE ARG A 14 12.833 -0.143 19.146 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.645 -3.592 19.071 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.001 -4.099 19.472 1.00 0.00 H new ATOM 0 HH21 ARG A 14 10.748 -0.809 19.693 1.00 0.00 H new ATOM 0 HH22 ARG A 14 10.368 -2.529 19.822 1.00 0.00 H new ATOM 249 N ALA A 15 16.720 -1.616 14.326 1.00 0.00 N ATOM 250 CA ALA A 15 18.125 -1.906 14.076 1.00 0.00 C ATOM 251 C ALA A 15 18.767 -0.805 13.244 1.00 0.00 C ATOM 252 O ALA A 15 19.696 -0.139 13.698 1.00 0.00 O ATOM 253 CB ALA A 15 18.266 -3.251 13.380 1.00 0.00 C ATOM 0 H ALA A 15 16.079 -2.345 14.011 1.00 0.00 H new ATOM 0 HA ALA A 15 18.643 -1.950 15.034 1.00 0.00 H new ATOM 0 HB1 ALA A 15 19.321 -3.458 13.198 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.847 -4.034 14.012 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.732 -3.227 12.430 1.00 0.00 H new ATOM 259 N VAL A 16 18.245 -0.602 12.042 1.00 0.00 N ATOM 260 CA VAL A 16 18.757 0.429 11.144 1.00 0.00 C ATOM 261 C VAL A 16 18.660 1.806 11.798 1.00 0.00 C ATOM 262 O VAL A 16 19.573 2.627 11.688 1.00 0.00 O ATOM 263 CB VAL A 16 17.991 0.440 9.803 1.00 0.00 C ATOM 264 CG1 VAL A 16 18.576 1.474 8.850 1.00 0.00 C ATOM 265 CG2 VAL A 16 18.016 -0.941 9.169 1.00 0.00 C ATOM 0 H VAL A 16 17.465 -1.139 11.664 1.00 0.00 H new ATOM 0 HA VAL A 16 19.803 0.196 10.943 1.00 0.00 H new ATOM 0 HB VAL A 16 16.955 0.714 10.005 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.019 1.462 7.913 1.00 0.00 H new ATOM 0 HG12 VAL A 16 18.507 2.464 9.300 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.622 1.237 8.653 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.472 -0.918 8.225 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.048 -1.239 8.986 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.545 -1.658 9.841 1.00 0.00 H new ATOM 275 N ARG A 17 17.552 2.031 12.492 1.00 0.00 N ATOM 276 CA ARG A 17 17.309 3.280 13.205 1.00 0.00 C ATOM 277 C ARG A 17 18.434 3.587 14.191 1.00 0.00 C ATOM 278 O ARG A 17 19.037 4.661 14.142 1.00 0.00 O ATOM 279 CB ARG A 17 15.974 3.184 13.952 1.00 0.00 C ATOM 280 CG ARG A 17 15.663 4.379 14.831 1.00 0.00 C ATOM 281 CD ARG A 17 15.334 5.614 14.015 1.00 0.00 C ATOM 282 NE ARG A 17 15.114 6.771 14.875 1.00 0.00 N ATOM 283 CZ ARG A 17 14.065 7.586 14.788 1.00 0.00 C ATOM 284 NH1 ARG A 17 13.105 7.360 13.897 1.00 0.00 N ATOM 285 NH2 ARG A 17 13.962 8.620 15.613 1.00 0.00 N ATOM 0 H ARG A 17 16.795 1.353 12.577 1.00 0.00 H new ATOM 0 HA ARG A 17 17.272 4.091 12.477 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.172 3.065 13.224 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.980 2.286 14.569 1.00 0.00 H new ATOM 0 HG2 ARG A 17 14.823 4.141 15.483 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.517 4.587 15.475 1.00 0.00 H new ATOM 0 HD2 ARG A 17 16.149 5.823 13.322 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.443 5.430 13.414 1.00 0.00 H new ATOM 0 HE ARG A 17 15.812 6.969 15.592 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.168 6.556 13.272 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.305 7.990 13.838 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.686 8.789 16.312 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.159 9.246 15.548 1.00 0.00 H new ATOM 299 N MET A 18 18.722 2.633 15.072 1.00 0.00 N ATOM 300 CA MET A 18 19.712 2.835 16.126 1.00 0.00 C ATOM 301 C MET A 18 21.115 2.990 15.554 1.00 0.00 C ATOM 302 O MET A 18 21.943 3.703 16.119 1.00 0.00 O ATOM 303 CB MET A 18 19.675 1.685 17.138 1.00 0.00 C ATOM 304 CG MET A 18 18.396 1.641 17.960 1.00 0.00 C ATOM 305 SD MET A 18 18.459 0.436 19.305 1.00 0.00 S ATOM 306 CE MET A 18 18.751 -1.083 18.401 1.00 0.00 C ATOM 0 H MET A 18 18.284 1.712 15.077 1.00 0.00 H new ATOM 0 HA MET A 18 19.454 3.761 16.640 1.00 0.00 H new ATOM 0 HB2 MET A 18 19.789 0.740 16.607 1.00 0.00 H new ATOM 0 HB3 MET A 18 20.527 1.777 17.811 1.00 0.00 H new ATOM 0 HG2 MET A 18 18.204 2.630 18.375 1.00 0.00 H new ATOM 0 HG3 MET A 18 17.558 1.402 17.305 1.00 0.00 H new ATOM 0 HE1 MET A 18 17.972 -1.806 18.643 1.00 0.00 H new ATOM 0 HE2 MET A 18 18.737 -0.878 17.331 1.00 0.00 H new ATOM 0 HE3 MET A 18 19.723 -1.491 18.679 1.00 0.00 H new ATOM 316 N VAL A 19 21.378 2.332 14.432 1.00 0.00 N ATOM 317 CA VAL A 19 22.674 2.444 13.767 1.00 0.00 C ATOM 318 C VAL A 19 22.890 3.859 13.230 1.00 0.00 C ATOM 319 O VAL A 19 23.982 4.416 13.339 1.00 0.00 O ATOM 320 CB VAL A 19 22.814 1.430 12.609 1.00 0.00 C ATOM 321 CG1 VAL A 19 24.130 1.624 11.867 1.00 0.00 C ATOM 322 CG2 VAL A 19 22.715 0.007 13.133 1.00 0.00 C ATOM 0 H VAL A 19 20.714 1.716 13.963 1.00 0.00 H new ATOM 0 HA VAL A 19 23.434 2.220 14.516 1.00 0.00 H new ATOM 0 HB VAL A 19 21.997 1.606 11.909 1.00 0.00 H new ATOM 0 HG11 VAL A 19 24.202 0.897 11.058 1.00 0.00 H new ATOM 0 HG12 VAL A 19 24.170 2.632 11.454 1.00 0.00 H new ATOM 0 HG13 VAL A 19 24.961 1.482 12.557 1.00 0.00 H new ATOM 0 HG21 VAL A 19 22.816 -0.694 12.304 1.00 0.00 H new ATOM 0 HG22 VAL A 19 23.510 -0.170 13.857 1.00 0.00 H new ATOM 0 HG23 VAL A 19 21.748 -0.137 13.614 1.00 0.00 H new ATOM 332 N LEU A 20 21.838 4.443 12.672 1.00 0.00 N ATOM 333 CA LEU A 20 21.921 5.783 12.106 1.00 0.00 C ATOM 334 C LEU A 20 22.129 6.831 13.191 1.00 0.00 C ATOM 335 O LEU A 20 23.011 7.681 13.079 1.00 0.00 O ATOM 336 CB LEU A 20 20.658 6.104 11.304 1.00 0.00 C ATOM 337 CG LEU A 20 20.432 5.227 10.073 1.00 0.00 C ATOM 338 CD1 LEU A 20 19.132 5.601 9.384 1.00 0.00 C ATOM 339 CD2 LEU A 20 21.596 5.352 9.102 1.00 0.00 C ATOM 0 H LEU A 20 20.917 4.010 12.599 1.00 0.00 H new ATOM 0 HA LEU A 20 22.783 5.808 11.439 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.794 6.009 11.962 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.703 7.146 10.986 1.00 0.00 H new ATOM 0 HG LEU A 20 20.367 4.190 10.403 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.988 4.966 8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.301 5.461 10.075 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.173 6.645 9.072 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.414 4.720 8.233 1.00 0.00 H new ATOM 0 HD22 LEU A 20 21.693 6.389 8.782 1.00 0.00 H new ATOM 0 HD23 LEU A 20 22.516 5.037 9.594 1.00 0.00 H new ATOM 351 N GLU A 21 21.334 6.750 14.252 1.00 0.00 N ATOM 352 CA GLU A 21 21.384 7.747 15.314 1.00 0.00 C ATOM 353 C GLU A 21 22.712 7.709 16.073 1.00 0.00 C ATOM 354 O GLU A 21 23.163 8.728 16.594 1.00 0.00 O ATOM 355 CB GLU A 21 20.214 7.571 16.277 1.00 0.00 C ATOM 356 CG GLU A 21 18.861 7.803 15.627 1.00 0.00 C ATOM 357 CD GLU A 21 17.736 7.898 16.634 1.00 0.00 C ATOM 358 OE1 GLU A 21 17.609 8.948 17.291 1.00 0.00 O ATOM 359 OE2 GLU A 21 16.960 6.932 16.766 1.00 0.00 O ATOM 0 H GLU A 21 20.650 6.008 14.399 1.00 0.00 H new ATOM 0 HA GLU A 21 21.305 8.726 14.841 1.00 0.00 H new ATOM 0 HB2 GLU A 21 20.242 6.563 16.692 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.332 8.262 17.111 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.897 8.722 15.041 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.653 6.990 14.932 1.00 0.00 H new ATOM 366 N SER A 22 23.340 6.541 16.131 1.00 0.00 N ATOM 367 CA SER A 22 24.647 6.420 16.758 1.00 0.00 C ATOM 368 C SER A 22 25.739 6.870 15.791 1.00 0.00 C ATOM 369 O SER A 22 26.760 7.429 16.198 1.00 0.00 O ATOM 370 CB SER A 22 24.882 4.981 17.219 1.00 0.00 C ATOM 371 OG SER A 22 24.581 4.062 16.184 1.00 0.00 O ATOM 0 H SER A 22 22.967 5.670 15.754 1.00 0.00 H new ATOM 0 HA SER A 22 24.681 7.067 17.635 1.00 0.00 H new ATOM 0 HB2 SER A 22 25.920 4.859 17.528 1.00 0.00 H new ATOM 0 HB3 SER A 22 24.263 4.769 18.091 1.00 0.00 H new ATOM 0 HG SER A 22 23.708 3.650 16.356 1.00 0.00 H new ATOM 377 N GLN A 23 25.500 6.645 14.503 1.00 0.00 N ATOM 378 CA GLN A 23 26.401 7.105 13.451 1.00 0.00 C ATOM 379 C GLN A 23 26.435 8.633 13.439 1.00 0.00 C ATOM 380 O GLN A 23 27.365 9.247 12.920 1.00 0.00 O ATOM 381 CB GLN A 23 25.945 6.544 12.092 1.00 0.00 C ATOM 382 CG GLN A 23 26.880 6.832 10.920 1.00 0.00 C ATOM 383 CD GLN A 23 26.609 8.165 10.242 1.00 0.00 C ATOM 384 OE1 GLN A 23 25.357 8.597 10.260 1.00 0.00 O flip ATOM 385 NE2 GLN A 23 27.519 8.798 9.702 1.00 0.00 N flip ATOM 0 H GLN A 23 24.682 6.142 14.160 1.00 0.00 H new ATOM 0 HA GLN A 23 27.411 6.742 13.643 1.00 0.00 H new ATOM 0 HB2 GLN A 23 25.827 5.464 12.184 1.00 0.00 H new ATOM 0 HB3 GLN A 23 24.962 6.953 11.860 1.00 0.00 H new ATOM 0 HG2 GLN A 23 27.910 6.817 11.275 1.00 0.00 H new ATOM 0 HG3 GLN A 23 26.785 6.033 10.185 1.00 0.00 H new ATOM 0 HE21 GLN A 23 28.470 8.431 9.710 1.00 0.00 H new ATOM 0 HE22 GLN A 23 27.320 9.689 9.247 1.00 0.00 H new ATOM 394 N GLY A 24 25.410 9.239 14.027 1.00 0.00 N ATOM 395 CA GLY A 24 25.365 10.680 14.165 1.00 0.00 C ATOM 396 C GLY A 24 26.439 11.215 15.095 1.00 0.00 C ATOM 397 O GLY A 24 26.699 12.416 15.121 1.00 0.00 O ATOM 0 H GLY A 24 24.602 8.751 14.414 1.00 0.00 H new ATOM 0 HA2 GLY A 24 25.480 11.138 13.183 1.00 0.00 H new ATOM 0 HA3 GLY A 24 24.385 10.974 14.541 1.00 0.00 H new ATOM 401 N GLU A 25 27.066 10.330 15.861 1.00 0.00 N ATOM 402 CA GLU A 25 28.143 10.732 16.759 1.00 0.00 C ATOM 403 C GLU A 25 29.443 10.022 16.402 1.00 0.00 C ATOM 404 O GLU A 25 30.504 10.642 16.344 1.00 0.00 O ATOM 405 CB GLU A 25 27.775 10.438 18.211 1.00 0.00 C ATOM 406 CG GLU A 25 26.473 11.080 18.646 1.00 0.00 C ATOM 407 CD GLU A 25 26.287 11.038 20.143 1.00 0.00 C ATOM 408 OE1 GLU A 25 26.165 9.932 20.700 1.00 0.00 O ATOM 409 OE2 GLU A 25 26.281 12.118 20.774 1.00 0.00 O ATOM 0 H GLU A 25 26.849 9.334 15.879 1.00 0.00 H new ATOM 0 HA GLU A 25 28.288 11.806 16.643 1.00 0.00 H new ATOM 0 HB2 GLU A 25 27.703 9.359 18.348 1.00 0.00 H new ATOM 0 HB3 GLU A 25 28.578 10.788 18.859 1.00 0.00 H new ATOM 0 HG2 GLU A 25 26.450 12.116 18.308 1.00 0.00 H new ATOM 0 HG3 GLU A 25 25.639 10.569 18.164 1.00 0.00 H new ATOM 416 N TYR A 26 29.360 8.722 16.167 1.00 0.00 N ATOM 417 CA TYR A 26 30.530 7.948 15.781 1.00 0.00 C ATOM 418 C TYR A 26 30.834 8.160 14.305 1.00 0.00 C ATOM 419 O TYR A 26 29.930 8.164 13.472 1.00 0.00 O ATOM 420 CB TYR A 26 30.322 6.459 16.067 1.00 0.00 C ATOM 421 CG TYR A 26 30.138 6.133 17.533 1.00 0.00 C ATOM 422 CD1 TYR A 26 31.230 5.916 18.361 1.00 0.00 C ATOM 423 CD2 TYR A 26 28.868 6.033 18.086 1.00 0.00 C ATOM 424 CE1 TYR A 26 31.063 5.610 19.698 1.00 0.00 C ATOM 425 CE2 TYR A 26 28.692 5.726 19.421 1.00 0.00 C ATOM 426 CZ TYR A 26 29.792 5.514 20.221 1.00 0.00 C ATOM 427 OH TYR A 26 29.621 5.202 21.551 1.00 0.00 O ATOM 0 H TYR A 26 28.498 8.182 16.236 1.00 0.00 H new ATOM 0 HA TYR A 26 31.377 8.293 16.374 1.00 0.00 H new ATOM 0 HB2 TYR A 26 29.448 6.113 15.516 1.00 0.00 H new ATOM 0 HB3 TYR A 26 31.179 5.903 15.687 1.00 0.00 H new ATOM 0 HD1 TYR A 26 32.228 5.987 17.953 1.00 0.00 H new ATOM 0 HD2 TYR A 26 28.003 6.198 17.461 1.00 0.00 H new ATOM 0 HE1 TYR A 26 31.924 5.447 20.329 1.00 0.00 H new ATOM 0 HE2 TYR A 26 27.697 5.653 19.835 1.00 0.00 H new ATOM 0 HH TYR A 26 28.664 5.175 21.760 1.00 0.00 H new ATOM 437 N ASP A 27 32.103 8.350 13.992 1.00 0.00 N ATOM 438 CA ASP A 27 32.522 8.595 12.617 1.00 0.00 C ATOM 439 C ASP A 27 32.379 7.333 11.779 1.00 0.00 C ATOM 440 O ASP A 27 31.885 7.368 10.655 1.00 0.00 O ATOM 441 CB ASP A 27 33.968 9.087 12.581 1.00 0.00 C ATOM 442 CG ASP A 27 34.465 9.316 11.171 1.00 0.00 C ATOM 443 OD1 ASP A 27 34.144 10.373 10.588 1.00 0.00 O ATOM 444 OD2 ASP A 27 35.179 8.445 10.636 1.00 0.00 O ATOM 0 H ASP A 27 32.865 8.340 14.670 1.00 0.00 H new ATOM 0 HA ASP A 27 31.877 9.366 12.196 1.00 0.00 H new ATOM 0 HB2 ASP A 27 34.047 10.016 13.146 1.00 0.00 H new ATOM 0 HB3 ASP A 27 34.609 8.357 13.075 1.00 0.00 H new ATOM 449 N SER A 28 32.806 6.218 12.343 1.00 0.00 N ATOM 450 CA SER A 28 32.723 4.944 11.659 1.00 0.00 C ATOM 451 C SER A 28 31.391 4.268 11.958 1.00 0.00 C ATOM 452 O SER A 28 31.053 4.020 13.118 1.00 0.00 O ATOM 453 CB SER A 28 33.880 4.039 12.081 1.00 0.00 C ATOM 454 OG SER A 28 33.842 2.805 11.386 1.00 0.00 O ATOM 0 H SER A 28 33.215 6.171 13.276 1.00 0.00 H new ATOM 0 HA SER A 28 32.791 5.122 10.586 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.828 4.541 11.886 1.00 0.00 H new ATOM 0 HB3 SER A 28 33.831 3.857 13.155 1.00 0.00 H new ATOM 0 HG SER A 28 34.593 2.245 11.673 1.00 0.00 H new ATOM 460 N GLN A 29 30.638 3.975 10.909 1.00 0.00 N ATOM 461 CA GLN A 29 29.373 3.282 11.058 1.00 0.00 C ATOM 462 C GLN A 29 29.633 1.813 11.363 1.00 0.00 C ATOM 463 O GLN A 29 28.798 1.125 11.938 1.00 0.00 O ATOM 464 CB GLN A 29 28.531 3.432 9.793 1.00 0.00 C ATOM 465 CG GLN A 29 27.134 2.856 9.919 1.00 0.00 C ATOM 466 CD GLN A 29 26.280 3.135 8.702 1.00 0.00 C ATOM 467 OE1 GLN A 29 26.452 4.147 8.027 1.00 0.00 O ATOM 468 NE2 GLN A 29 25.347 2.244 8.418 1.00 0.00 N ATOM 0 H GLN A 29 30.883 4.207 9.947 1.00 0.00 H new ATOM 0 HA GLN A 29 28.816 3.722 11.885 1.00 0.00 H new ATOM 0 HB2 GLN A 29 28.457 4.490 9.540 1.00 0.00 H new ATOM 0 HB3 GLN A 29 29.044 2.941 8.966 1.00 0.00 H new ATOM 0 HG2 GLN A 29 27.201 1.779 10.072 1.00 0.00 H new ATOM 0 HG3 GLN A 29 26.650 3.274 10.802 1.00 0.00 H new ATOM 0 HE21 GLN A 29 25.237 1.416 9.004 1.00 0.00 H new ATOM 0 HE22 GLN A 29 24.737 2.384 7.613 1.00 0.00 H new ATOM 477 N TRP A 30 30.816 1.344 10.997 1.00 0.00 N ATOM 478 CA TRP A 30 31.226 -0.013 11.321 1.00 0.00 C ATOM 479 C TRP A 30 31.387 -0.153 12.828 1.00 0.00 C ATOM 480 O TRP A 30 31.163 -1.224 13.397 1.00 0.00 O ATOM 481 CB TRP A 30 32.534 -0.366 10.606 1.00 0.00 C ATOM 482 CG TRP A 30 32.405 -0.391 9.117 1.00 0.00 C ATOM 483 CD1 TRP A 30 32.508 0.673 8.271 1.00 0.00 C ATOM 484 CD2 TRP A 30 32.151 -1.536 8.295 1.00 0.00 C ATOM 485 NE1 TRP A 30 32.327 0.263 6.973 1.00 0.00 N ATOM 486 CE2 TRP A 30 32.109 -1.090 6.961 1.00 0.00 C ATOM 487 CE3 TRP A 30 31.955 -2.896 8.558 1.00 0.00 C ATOM 488 CZ2 TRP A 30 31.881 -1.953 5.893 1.00 0.00 C ATOM 489 CZ3 TRP A 30 31.726 -3.752 7.495 1.00 0.00 C ATOM 490 CH2 TRP A 30 31.693 -3.278 6.179 1.00 0.00 C ATOM 0 H TRP A 30 31.508 1.883 10.476 1.00 0.00 H new ATOM 0 HA TRP A 30 30.457 -0.706 10.980 1.00 0.00 H new ATOM 0 HB2 TRP A 30 33.300 0.358 10.885 1.00 0.00 H new ATOM 0 HB3 TRP A 30 32.877 -1.342 10.951 1.00 0.00 H new ATOM 0 HD1 TRP A 30 32.703 1.690 8.577 1.00 0.00 H new ATOM 0 HE1 TRP A 30 32.351 0.867 6.151 1.00 0.00 H new ATOM 0 HE3 TRP A 30 31.982 -3.270 9.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 31.853 -1.590 4.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 31.570 -4.804 7.684 1.00 0.00 H new ATOM 0 HH2 TRP A 30 31.515 -3.973 5.371 1.00 0.00 H new ATOM 501 N ALA A 31 31.739 0.956 13.471 1.00 0.00 N ATOM 502 CA ALA A 31 31.923 0.987 14.912 1.00 0.00 C ATOM 503 C ALA A 31 30.584 0.933 15.637 1.00 0.00 C ATOM 504 O ALA A 31 30.486 0.377 16.733 1.00 0.00 O ATOM 505 CB ALA A 31 32.694 2.233 15.321 1.00 0.00 C ATOM 0 H ALA A 31 31.903 1.851 13.009 1.00 0.00 H new ATOM 0 HA ALA A 31 32.499 0.107 15.197 1.00 0.00 H new ATOM 0 HB1 ALA A 31 32.824 2.242 16.403 1.00 0.00 H new ATOM 0 HB2 ALA A 31 33.671 2.231 14.838 1.00 0.00 H new ATOM 0 HB3 ALA A 31 32.140 3.120 15.015 1.00 0.00 H new ATOM 511 N THR A 32 29.553 1.505 15.029 1.00 0.00 N ATOM 512 CA THR A 32 28.231 1.498 15.635 1.00 0.00 C ATOM 513 C THR A 32 27.568 0.139 15.445 1.00 0.00 C ATOM 514 O THR A 32 26.798 -0.310 16.292 1.00 0.00 O ATOM 515 CB THR A 32 27.330 2.615 15.066 1.00 0.00 C ATOM 516 OG1 THR A 32 27.191 2.476 13.652 1.00 0.00 O ATOM 517 CG2 THR A 32 27.906 3.984 15.377 1.00 0.00 C ATOM 0 H THR A 32 29.606 1.975 14.125 1.00 0.00 H new ATOM 0 HA THR A 32 28.359 1.689 16.700 1.00 0.00 H new ATOM 0 HB THR A 32 26.351 2.523 15.537 1.00 0.00 H new ATOM 0 HG1 THR A 32 27.849 1.830 13.321 1.00 0.00 H new ATOM 0 HG21 THR A 32 27.254 4.755 14.966 1.00 0.00 H new ATOM 0 HG22 THR A 32 27.981 4.110 16.457 1.00 0.00 H new ATOM 0 HG23 THR A 32 28.897 4.072 14.931 1.00 0.00 H new ATOM 525 N ILE A 33 27.895 -0.523 14.339 1.00 0.00 N ATOM 526 CA ILE A 33 27.386 -1.860 14.062 1.00 0.00 C ATOM 527 C ILE A 33 27.739 -2.825 15.197 1.00 0.00 C ATOM 528 O ILE A 33 26.877 -3.526 15.723 1.00 0.00 O ATOM 529 CB ILE A 33 27.940 -2.408 12.726 1.00 0.00 C ATOM 530 CG1 ILE A 33 27.426 -1.566 11.553 1.00 0.00 C ATOM 531 CG2 ILE A 33 27.554 -3.868 12.539 1.00 0.00 C ATOM 532 CD1 ILE A 33 27.973 -1.992 10.207 1.00 0.00 C ATOM 0 H ILE A 33 28.513 -0.152 13.618 1.00 0.00 H new ATOM 0 HA ILE A 33 26.302 -1.782 13.984 1.00 0.00 H new ATOM 0 HB ILE A 33 29.028 -2.344 12.754 1.00 0.00 H new ATOM 0 HG12 ILE A 33 26.338 -1.623 11.527 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.686 -0.522 11.726 1.00 0.00 H new ATOM 0 HG21 ILE A 33 27.954 -4.232 11.593 1.00 0.00 H new ATOM 0 HG22 ILE A 33 27.963 -4.460 13.358 1.00 0.00 H new ATOM 0 HG23 ILE A 33 26.468 -3.959 12.532 1.00 0.00 H new ATOM 0 HD11 ILE A 33 27.563 -1.349 9.428 1.00 0.00 H new ATOM 0 HD12 ILE A 33 29.060 -1.908 10.213 1.00 0.00 H new ATOM 0 HD13 ILE A 33 27.690 -3.026 10.010 1.00 0.00 H new ATOM 544 N CYS A 34 29.003 -2.836 15.599 1.00 0.00 N ATOM 545 CA CYS A 34 29.445 -3.734 16.660 1.00 0.00 C ATOM 546 C CYS A 34 29.089 -3.179 18.038 1.00 0.00 C ATOM 547 O CYS A 34 29.241 -3.862 19.051 1.00 0.00 O ATOM 548 CB CYS A 34 30.952 -3.984 16.551 1.00 0.00 C ATOM 549 SG CYS A 34 31.937 -2.478 16.397 1.00 0.00 S ATOM 0 H CYS A 34 29.735 -2.240 15.212 1.00 0.00 H new ATOM 0 HA CYS A 34 28.924 -4.684 16.540 1.00 0.00 H new ATOM 0 HB2 CYS A 34 31.283 -4.534 17.432 1.00 0.00 H new ATOM 0 HB3 CYS A 34 31.143 -4.621 15.687 1.00 0.00 H new ATOM 0 HG CYS A 34 31.172 -1.440 16.562 1.00 0.00 H new ATOM 555 N SER A 35 28.601 -1.946 18.068 1.00 0.00 N ATOM 556 CA SER A 35 28.231 -1.294 19.320 1.00 0.00 C ATOM 557 C SER A 35 26.748 -1.529 19.631 1.00 0.00 C ATOM 558 O SER A 35 26.365 -1.724 20.786 1.00 0.00 O ATOM 559 CB SER A 35 28.531 0.208 19.231 1.00 0.00 C ATOM 560 OG SER A 35 28.358 0.855 20.478 1.00 0.00 O ATOM 0 H SER A 35 28.451 -1.374 17.237 1.00 0.00 H new ATOM 0 HA SER A 35 28.820 -1.724 20.130 1.00 0.00 H new ATOM 0 HB2 SER A 35 29.554 0.354 18.885 1.00 0.00 H new ATOM 0 HB3 SER A 35 27.876 0.666 18.490 1.00 0.00 H new ATOM 0 HG SER A 35 28.559 1.809 20.382 1.00 0.00 H new ATOM 566 N ILE A 36 25.923 -1.520 18.592 1.00 0.00 N ATOM 567 CA ILE A 36 24.481 -1.708 18.744 1.00 0.00 C ATOM 568 C ILE A 36 24.116 -3.195 18.718 1.00 0.00 C ATOM 569 O ILE A 36 23.089 -3.605 19.262 1.00 0.00 O ATOM 570 CB ILE A 36 23.703 -0.918 17.652 1.00 0.00 C ATOM 571 CG1 ILE A 36 23.523 0.542 18.084 1.00 0.00 C ATOM 572 CG2 ILE A 36 22.345 -1.539 17.347 1.00 0.00 C ATOM 573 CD1 ILE A 36 24.807 1.340 18.166 1.00 0.00 C ATOM 0 H ILE A 36 26.228 -1.384 17.628 1.00 0.00 H new ATOM 0 HA ILE A 36 24.188 -1.312 19.716 1.00 0.00 H new ATOM 0 HB ILE A 36 24.296 -0.961 16.738 1.00 0.00 H new ATOM 0 HG12 ILE A 36 22.850 1.034 17.382 1.00 0.00 H new ATOM 0 HG13 ILE A 36 23.036 0.561 19.059 1.00 0.00 H new ATOM 0 HG21 ILE A 36 21.841 -0.952 16.579 1.00 0.00 H new ATOM 0 HG22 ILE A 36 22.483 -2.560 16.991 1.00 0.00 H new ATOM 0 HG23 ILE A 36 21.738 -1.550 18.252 1.00 0.00 H new ATOM 0 HD11 ILE A 36 24.582 2.360 18.479 1.00 0.00 H new ATOM 0 HD12 ILE A 36 25.477 0.878 18.891 1.00 0.00 H new ATOM 0 HD13 ILE A 36 25.287 1.358 17.188 1.00 0.00 H new ATOM 585 N ALA A 37 24.992 -4.002 18.125 1.00 0.00 N ATOM 586 CA ALA A 37 24.799 -5.452 18.051 1.00 0.00 C ATOM 587 C ALA A 37 24.441 -6.081 19.413 1.00 0.00 C ATOM 588 O ALA A 37 23.477 -6.846 19.493 1.00 0.00 O ATOM 589 CB ALA A 37 26.036 -6.123 17.469 1.00 0.00 C ATOM 0 H ALA A 37 25.851 -3.674 17.684 1.00 0.00 H new ATOM 0 HA ALA A 37 23.948 -5.621 17.392 1.00 0.00 H new ATOM 0 HB1 ALA A 37 25.877 -7.200 17.421 1.00 0.00 H new ATOM 0 HB2 ALA A 37 26.221 -5.738 16.466 1.00 0.00 H new ATOM 0 HB3 ALA A 37 26.897 -5.912 18.103 1.00 0.00 H new ATOM 595 N PRO A 38 25.184 -5.776 20.508 1.00 0.00 N ATOM 596 CA PRO A 38 24.887 -6.339 21.836 1.00 0.00 C ATOM 597 C PRO A 38 23.552 -5.852 22.396 1.00 0.00 C ATOM 598 O PRO A 38 22.962 -6.497 23.259 1.00 0.00 O ATOM 599 CB PRO A 38 26.040 -5.847 22.721 1.00 0.00 C ATOM 600 CG PRO A 38 27.090 -5.370 21.779 1.00 0.00 C ATOM 601 CD PRO A 38 26.366 -4.898 20.555 1.00 0.00 C ATOM 0 HA PRO A 38 24.803 -7.425 21.792 1.00 0.00 H new ATOM 0 HB2 PRO A 38 25.712 -5.045 23.382 1.00 0.00 H new ATOM 0 HB3 PRO A 38 26.417 -6.649 23.356 1.00 0.00 H new ATOM 0 HG2 PRO A 38 27.674 -4.563 22.222 1.00 0.00 H new ATOM 0 HG3 PRO A 38 27.788 -6.171 21.535 1.00 0.00 H new ATOM 0 HD2 PRO A 38 26.085 -3.848 20.632 1.00 0.00 H new ATOM 0 HD3 PRO A 38 26.979 -4.999 19.660 1.00 0.00 H new ATOM 609 N LYS A 39 23.075 -4.717 21.896 1.00 0.00 N ATOM 610 CA LYS A 39 21.809 -4.152 22.354 1.00 0.00 C ATOM 611 C LYS A 39 20.630 -4.918 21.768 1.00 0.00 C ATOM 612 O LYS A 39 19.579 -5.047 22.399 1.00 0.00 O ATOM 613 CB LYS A 39 21.715 -2.668 21.984 1.00 0.00 C ATOM 614 CG LYS A 39 22.681 -1.790 22.762 1.00 0.00 C ATOM 615 CD LYS A 39 22.341 -1.782 24.242 1.00 0.00 C ATOM 616 CE LYS A 39 23.384 -1.038 25.063 1.00 0.00 C ATOM 617 NZ LYS A 39 23.519 0.384 24.653 1.00 0.00 N ATOM 0 H LYS A 39 23.545 -4.170 21.174 1.00 0.00 H new ATOM 0 HA LYS A 39 21.772 -4.243 23.440 1.00 0.00 H new ATOM 0 HB2 LYS A 39 21.910 -2.554 20.918 1.00 0.00 H new ATOM 0 HB3 LYS A 39 20.697 -2.321 22.161 1.00 0.00 H new ATOM 0 HG2 LYS A 39 23.700 -2.151 22.622 1.00 0.00 H new ATOM 0 HG3 LYS A 39 22.647 -0.773 22.372 1.00 0.00 H new ATOM 0 HD2 LYS A 39 21.366 -1.317 24.387 1.00 0.00 H new ATOM 0 HD3 LYS A 39 22.261 -2.808 24.601 1.00 0.00 H new ATOM 0 HE2 LYS A 39 23.113 -1.085 26.118 1.00 0.00 H new ATOM 0 HE3 LYS A 39 24.348 -1.536 24.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 24.178 0.869 25.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 23.885 0.432 23.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 22.589 0.848 24.696 1.00 0.00 H new ATOM 631 N ILE A 40 20.812 -5.428 20.558 1.00 0.00 N ATOM 632 CA ILE A 40 19.795 -6.238 19.910 1.00 0.00 C ATOM 633 C ILE A 40 19.989 -7.706 20.275 1.00 0.00 C ATOM 634 O ILE A 40 19.024 -8.449 20.460 1.00 0.00 O ATOM 635 CB ILE A 40 19.848 -6.090 18.374 1.00 0.00 C ATOM 636 CG1 ILE A 40 19.761 -4.615 17.983 1.00 0.00 C ATOM 637 CG2 ILE A 40 18.720 -6.881 17.720 1.00 0.00 C ATOM 638 CD1 ILE A 40 19.887 -4.367 16.496 1.00 0.00 C ATOM 0 H ILE A 40 21.658 -5.293 20.005 1.00 0.00 H new ATOM 0 HA ILE A 40 18.823 -5.889 20.259 1.00 0.00 H new ATOM 0 HB ILE A 40 20.798 -6.491 18.020 1.00 0.00 H new ATOM 0 HG12 ILE A 40 18.809 -4.213 18.329 1.00 0.00 H new ATOM 0 HG13 ILE A 40 20.547 -4.065 18.501 1.00 0.00 H new ATOM 0 HG21 ILE A 40 18.774 -6.764 16.638 1.00 0.00 H new ATOM 0 HG22 ILE A 40 18.819 -7.936 17.977 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.760 -6.509 18.078 1.00 0.00 H new ATOM 0 HD11 ILE A 40 19.815 -3.297 16.298 1.00 0.00 H new ATOM 0 HD12 ILE A 40 20.851 -4.737 16.146 1.00 0.00 H new ATOM 0 HD13 ILE A 40 19.086 -4.887 15.971 1.00 0.00 H new ATOM 650 N GLY A 41 21.248 -8.109 20.388 1.00 0.00 N ATOM 651 CA GLY A 41 21.569 -9.493 20.666 1.00 0.00 C ATOM 652 C GLY A 41 21.908 -10.243 19.399 1.00 0.00 C ATOM 653 O GLY A 41 21.565 -11.417 19.246 1.00 0.00 O ATOM 0 H GLY A 41 22.057 -7.496 20.291 1.00 0.00 H new ATOM 0 HA2 GLY A 41 22.411 -9.542 21.356 1.00 0.00 H new ATOM 0 HA3 GLY A 41 20.724 -9.972 21.160 1.00 0.00 H new ATOM 657 N CYS A 42 22.582 -9.560 18.488 1.00 0.00 N ATOM 658 CA CYS A 42 22.911 -10.133 17.198 1.00 0.00 C ATOM 659 C CYS A 42 24.393 -9.969 16.888 1.00 0.00 C ATOM 660 O CYS A 42 25.131 -9.321 17.633 1.00 0.00 O ATOM 661 CB CYS A 42 22.074 -9.463 16.108 1.00 0.00 C ATOM 662 SG CYS A 42 22.247 -7.665 16.052 1.00 0.00 S ATOM 0 H CYS A 42 22.912 -8.604 18.621 1.00 0.00 H new ATOM 0 HA CYS A 42 22.686 -11.199 17.228 1.00 0.00 H new ATOM 0 HB2 CYS A 42 22.359 -9.876 15.140 1.00 0.00 H new ATOM 0 HB3 CYS A 42 21.025 -9.712 16.265 1.00 0.00 H new ATOM 0 HG CYS A 42 23.345 -7.354 15.429 1.00 0.00 H new ATOM 668 N THR A 43 24.820 -10.575 15.793 1.00 0.00 N ATOM 669 CA THR A 43 26.183 -10.445 15.323 1.00 0.00 C ATOM 670 C THR A 43 26.292 -9.209 14.426 1.00 0.00 C ATOM 671 O THR A 43 25.333 -8.874 13.726 1.00 0.00 O ATOM 672 CB THR A 43 26.587 -11.713 14.537 1.00 0.00 C ATOM 673 OG1 THR A 43 26.148 -12.876 15.255 1.00 0.00 O ATOM 674 CG2 THR A 43 28.091 -11.794 14.336 1.00 0.00 C ATOM 0 H THR A 43 24.231 -11.169 15.209 1.00 0.00 H new ATOM 0 HA THR A 43 26.856 -10.331 16.173 1.00 0.00 H new ATOM 0 HB THR A 43 26.114 -11.665 13.556 1.00 0.00 H new ATOM 0 HG1 THR A 43 26.401 -13.682 14.758 1.00 0.00 H new ATOM 0 HG21 THR A 43 28.336 -12.699 13.780 1.00 0.00 H new ATOM 0 HG22 THR A 43 28.431 -10.922 13.778 1.00 0.00 H new ATOM 0 HG23 THR A 43 28.587 -11.820 15.306 1.00 0.00 H new ATOM 682 N PRO A 44 27.427 -8.486 14.466 1.00 0.00 N ATOM 683 CA PRO A 44 27.680 -7.344 13.584 1.00 0.00 C ATOM 684 C PRO A 44 27.267 -7.608 12.132 1.00 0.00 C ATOM 685 O PRO A 44 26.645 -6.759 11.493 1.00 0.00 O ATOM 686 CB PRO A 44 29.200 -7.132 13.678 1.00 0.00 C ATOM 687 CG PRO A 44 29.717 -8.185 14.613 1.00 0.00 C ATOM 688 CD PRO A 44 28.539 -8.681 15.400 1.00 0.00 C ATOM 0 HA PRO A 44 27.097 -6.475 13.888 1.00 0.00 H new ATOM 0 HB2 PRO A 44 29.666 -7.221 12.697 1.00 0.00 H new ATOM 0 HB3 PRO A 44 29.431 -6.134 14.051 1.00 0.00 H new ATOM 0 HG2 PRO A 44 30.182 -9.000 14.058 1.00 0.00 H new ATOM 0 HG3 PRO A 44 30.479 -7.774 15.275 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.652 -9.728 15.683 1.00 0.00 H new ATOM 0 HD3 PRO A 44 28.399 -8.115 16.321 1.00 0.00 H new ATOM 696 N GLU A 45 27.610 -8.789 11.619 1.00 0.00 N ATOM 697 CA GLU A 45 27.213 -9.185 10.268 1.00 0.00 C ATOM 698 C GLU A 45 25.692 -9.169 10.121 1.00 0.00 C ATOM 699 O GLU A 45 25.157 -8.623 9.159 1.00 0.00 O ATOM 700 CB GLU A 45 27.748 -10.581 9.946 1.00 0.00 C ATOM 701 CG GLU A 45 27.560 -10.988 8.494 1.00 0.00 C ATOM 702 CD GLU A 45 28.331 -10.099 7.539 1.00 0.00 C ATOM 703 OE1 GLU A 45 27.789 -9.060 7.113 1.00 0.00 O ATOM 704 OE2 GLU A 45 29.489 -10.433 7.213 1.00 0.00 O ATOM 0 H GLU A 45 28.161 -9.488 12.118 1.00 0.00 H new ATOM 0 HA GLU A 45 27.638 -8.467 9.567 1.00 0.00 H new ATOM 0 HB2 GLU A 45 28.810 -10.619 10.190 1.00 0.00 H new ATOM 0 HB3 GLU A 45 27.248 -11.308 10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 45 27.883 -12.021 8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 45 26.500 -10.952 8.244 1.00 0.00 H new ATOM 711 N THR A 46 25.006 -9.757 11.095 1.00 0.00 N ATOM 712 CA THR A 46 23.551 -9.825 11.090 1.00 0.00 C ATOM 713 C THR A 46 22.941 -8.425 11.030 1.00 0.00 C ATOM 714 O THR A 46 21.954 -8.191 10.328 1.00 0.00 O ATOM 715 CB THR A 46 23.041 -10.548 12.350 1.00 0.00 C ATOM 716 OG1 THR A 46 23.842 -11.714 12.595 1.00 0.00 O ATOM 717 CG2 THR A 46 21.584 -10.957 12.191 1.00 0.00 C ATOM 0 H THR A 46 25.441 -10.197 11.906 1.00 0.00 H new ATOM 0 HA THR A 46 23.247 -10.383 10.204 1.00 0.00 H new ATOM 0 HB THR A 46 23.118 -9.862 13.194 1.00 0.00 H new ATOM 0 HG1 THR A 46 23.517 -12.171 13.398 1.00 0.00 H new ATOM 0 HG21 THR A 46 21.248 -11.466 13.095 1.00 0.00 H new ATOM 0 HG22 THR A 46 20.973 -10.070 12.026 1.00 0.00 H new ATOM 0 HG23 THR A 46 21.486 -11.629 11.339 1.00 0.00 H new ATOM 725 N LEU A 47 23.551 -7.494 11.754 1.00 0.00 N ATOM 726 CA LEU A 47 23.088 -6.116 11.767 1.00 0.00 C ATOM 727 C LEU A 47 23.322 -5.468 10.404 1.00 0.00 C ATOM 728 O LEU A 47 22.488 -4.701 9.916 1.00 0.00 O ATOM 729 CB LEU A 47 23.797 -5.324 12.870 1.00 0.00 C ATOM 730 CG LEU A 47 23.322 -3.879 13.044 1.00 0.00 C ATOM 731 CD1 LEU A 47 21.826 -3.833 13.315 1.00 0.00 C ATOM 732 CD2 LEU A 47 24.081 -3.199 14.172 1.00 0.00 C ATOM 0 H LEU A 47 24.368 -7.671 12.339 1.00 0.00 H new ATOM 0 HA LEU A 47 22.018 -6.108 11.975 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.663 -5.850 13.816 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.866 -5.315 12.659 1.00 0.00 H new ATOM 0 HG LEU A 47 23.522 -3.343 12.116 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.510 -2.797 13.435 1.00 0.00 H new ATOM 0 HD12 LEU A 47 21.291 -4.281 12.478 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.604 -4.388 14.226 1.00 0.00 H new ATOM 0 HD21 LEU A 47 23.729 -2.173 14.280 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.912 -3.741 15.103 1.00 0.00 H new ATOM 0 HD23 LEU A 47 25.147 -3.195 13.943 1.00 0.00 H new ATOM 744 N ARG A 48 24.450 -5.798 9.781 1.00 0.00 N ATOM 745 CA ARG A 48 24.755 -5.289 8.449 1.00 0.00 C ATOM 746 C ARG A 48 23.772 -5.857 7.428 1.00 0.00 C ATOM 747 O ARG A 48 23.424 -5.191 6.455 1.00 0.00 O ATOM 748 CB ARG A 48 26.198 -5.620 8.038 1.00 0.00 C ATOM 749 CG ARG A 48 26.552 -5.111 6.646 1.00 0.00 C ATOM 750 CD ARG A 48 28.040 -5.204 6.350 1.00 0.00 C ATOM 751 NE ARG A 48 28.525 -6.581 6.273 1.00 0.00 N ATOM 752 CZ ARG A 48 29.592 -6.946 5.565 1.00 0.00 C ATOM 753 NH1 ARG A 48 30.210 -6.064 4.788 1.00 0.00 N ATOM 754 NH2 ARG A 48 30.019 -8.199 5.609 1.00 0.00 N ATOM 0 H ARG A 48 25.163 -6.412 10.175 1.00 0.00 H new ATOM 0 HA ARG A 48 24.655 -4.204 8.475 1.00 0.00 H new ATOM 0 HB2 ARG A 48 26.885 -5.185 8.764 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.341 -6.700 8.071 1.00 0.00 H new ATOM 0 HG2 ARG A 48 26.001 -5.686 5.902 1.00 0.00 H new ATOM 0 HG3 ARG A 48 26.230 -4.074 6.550 1.00 0.00 H new ATOM 0 HD2 ARG A 48 28.249 -4.698 5.407 1.00 0.00 H new ATOM 0 HD3 ARG A 48 28.592 -4.673 7.126 1.00 0.00 H new ATOM 0 HE ARG A 48 28.019 -7.301 6.789 1.00 0.00 H new ATOM 0 HH11 ARG A 48 29.867 -5.105 4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 48 31.027 -6.346 4.247 1.00 0.00 H new ATOM 0 HH21 ARG A 48 29.530 -8.884 6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 48 30.836 -8.479 5.067 1.00 0.00 H new ATOM 768 N VAL A 49 23.327 -7.087 7.659 1.00 0.00 N ATOM 769 CA VAL A 49 22.328 -7.710 6.802 1.00 0.00 C ATOM 770 C VAL A 49 21.042 -6.885 6.788 1.00 0.00 C ATOM 771 O VAL A 49 20.487 -6.611 5.726 1.00 0.00 O ATOM 772 CB VAL A 49 22.012 -9.161 7.239 1.00 0.00 C ATOM 773 CG1 VAL A 49 20.887 -9.750 6.402 1.00 0.00 C ATOM 774 CG2 VAL A 49 23.254 -10.035 7.142 1.00 0.00 C ATOM 0 H VAL A 49 23.643 -7.672 8.433 1.00 0.00 H new ATOM 0 HA VAL A 49 22.748 -7.745 5.797 1.00 0.00 H new ATOM 0 HB VAL A 49 21.686 -9.133 8.279 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.685 -10.770 6.730 1.00 0.00 H new ATOM 0 HG12 VAL A 49 19.988 -9.145 6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.180 -9.758 5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 49 23.010 -11.050 7.454 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.611 -10.047 6.112 1.00 0.00 H new ATOM 0 HG23 VAL A 49 24.033 -9.634 7.791 1.00 0.00 H new ATOM 784 N TRP A 50 20.585 -6.475 7.967 1.00 0.00 N ATOM 785 CA TRP A 50 19.385 -5.648 8.072 1.00 0.00 C ATOM 786 C TRP A 50 19.587 -4.308 7.374 1.00 0.00 C ATOM 787 O TRP A 50 18.679 -3.794 6.713 1.00 0.00 O ATOM 788 CB TRP A 50 18.998 -5.427 9.535 1.00 0.00 C ATOM 789 CG TRP A 50 18.410 -6.641 10.184 1.00 0.00 C ATOM 790 CD1 TRP A 50 17.440 -7.449 9.669 1.00 0.00 C ATOM 791 CD2 TRP A 50 18.730 -7.172 11.476 1.00 0.00 C ATOM 792 NE1 TRP A 50 17.142 -8.455 10.553 1.00 0.00 N ATOM 793 CE2 TRP A 50 17.921 -8.308 11.671 1.00 0.00 C ATOM 794 CE3 TRP A 50 19.623 -6.800 12.486 1.00 0.00 C ATOM 795 CZ2 TRP A 50 17.980 -9.075 12.830 1.00 0.00 C ATOM 796 CZ3 TRP A 50 19.680 -7.563 13.637 1.00 0.00 C ATOM 797 CH2 TRP A 50 18.863 -8.689 13.802 1.00 0.00 C ATOM 0 H TRP A 50 21.024 -6.700 8.860 1.00 0.00 H new ATOM 0 HA TRP A 50 18.572 -6.179 7.577 1.00 0.00 H new ATOM 0 HB2 TRP A 50 19.881 -5.117 10.094 1.00 0.00 H new ATOM 0 HB3 TRP A 50 18.280 -4.609 9.594 1.00 0.00 H new ATOM 0 HD1 TRP A 50 16.973 -7.316 8.704 1.00 0.00 H new ATOM 0 HE1 TRP A 50 16.453 -9.192 10.403 1.00 0.00 H new ATOM 0 HE3 TRP A 50 20.256 -5.933 12.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 17.352 -9.944 12.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 20.367 -7.286 14.423 1.00 0.00 H new ATOM 0 HH2 TRP A 50 18.931 -9.264 14.714 1.00 0.00 H new ATOM 808 N VAL A 51 20.781 -3.745 7.518 1.00 0.00 N ATOM 809 CA VAL A 51 21.125 -2.507 6.833 1.00 0.00 C ATOM 810 C VAL A 51 21.126 -2.723 5.321 1.00 0.00 C ATOM 811 O VAL A 51 20.647 -1.881 4.565 1.00 0.00 O ATOM 812 CB VAL A 51 22.504 -1.971 7.282 1.00 0.00 C ATOM 813 CG1 VAL A 51 22.863 -0.693 6.537 1.00 0.00 C ATOM 814 CG2 VAL A 51 22.520 -1.731 8.784 1.00 0.00 C ATOM 0 H VAL A 51 21.525 -4.126 8.102 1.00 0.00 H new ATOM 0 HA VAL A 51 20.371 -1.766 7.096 1.00 0.00 H new ATOM 0 HB VAL A 51 23.253 -2.726 7.041 1.00 0.00 H new ATOM 0 HG11 VAL A 51 23.837 -0.338 6.872 1.00 0.00 H new ATOM 0 HG12 VAL A 51 22.899 -0.894 5.466 1.00 0.00 H new ATOM 0 HG13 VAL A 51 22.110 0.069 6.738 1.00 0.00 H new ATOM 0 HG21 VAL A 51 23.498 -1.354 9.082 1.00 0.00 H new ATOM 0 HG22 VAL A 51 21.755 -1.000 9.044 1.00 0.00 H new ATOM 0 HG23 VAL A 51 22.318 -2.667 9.304 1.00 0.00 H new ATOM 824 N ARG A 52 21.647 -3.872 4.895 1.00 0.00 N ATOM 825 CA ARG A 52 21.689 -4.231 3.480 1.00 0.00 C ATOM 826 C ARG A 52 20.277 -4.395 2.924 1.00 0.00 C ATOM 827 O ARG A 52 20.004 -4.040 1.773 1.00 0.00 O ATOM 828 CB ARG A 52 22.480 -5.529 3.279 1.00 0.00 C ATOM 829 CG ARG A 52 22.665 -5.913 1.819 1.00 0.00 C ATOM 830 CD ARG A 52 23.290 -7.292 1.681 1.00 0.00 C ATOM 831 NE ARG A 52 24.599 -7.374 2.325 1.00 0.00 N ATOM 832 CZ ARG A 52 25.078 -8.470 2.909 1.00 0.00 C ATOM 833 NH1 ARG A 52 24.345 -9.575 2.974 1.00 0.00 N ATOM 834 NH2 ARG A 52 26.293 -8.453 3.435 1.00 0.00 N ATOM 0 H ARG A 52 22.049 -4.575 5.516 1.00 0.00 H new ATOM 0 HA ARG A 52 22.187 -3.425 2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 52 23.460 -5.423 3.744 1.00 0.00 H new ATOM 0 HB3 ARG A 52 21.968 -6.340 3.797 1.00 0.00 H new ATOM 0 HG2 ARG A 52 21.700 -5.897 1.312 1.00 0.00 H new ATOM 0 HG3 ARG A 52 23.297 -5.175 1.325 1.00 0.00 H new ATOM 0 HD2 ARG A 52 22.625 -8.036 2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 52 23.391 -7.539 0.624 1.00 0.00 H new ATOM 0 HE ARG A 52 25.183 -6.538 2.327 1.00 0.00 H new ATOM 0 HH11 ARG A 52 23.407 -9.589 2.574 1.00 0.00 H new ATOM 0 HH12 ARG A 52 24.720 -10.410 3.423 1.00 0.00 H new ATOM 0 HH21 ARG A 52 26.856 -7.603 3.391 1.00 0.00 H new ATOM 0 HH22 ARG A 52 26.666 -9.289 3.884 1.00 0.00 H new ATOM 848 N GLN A 53 19.380 -4.929 3.745 1.00 0.00 N ATOM 849 CA GLN A 53 17.985 -5.071 3.354 1.00 0.00 C ATOM 850 C GLN A 53 17.381 -3.700 3.092 1.00 0.00 C ATOM 851 O GLN A 53 16.697 -3.493 2.092 1.00 0.00 O ATOM 852 CB GLN A 53 17.186 -5.801 4.439 1.00 0.00 C ATOM 853 CG GLN A 53 17.682 -7.210 4.714 1.00 0.00 C ATOM 854 CD GLN A 53 17.672 -8.086 3.478 1.00 0.00 C ATOM 855 OE1 GLN A 53 16.832 -7.928 2.592 1.00 0.00 O ATOM 856 NE2 GLN A 53 18.616 -9.009 3.406 1.00 0.00 N ATOM 0 H GLN A 53 19.594 -5.269 4.682 1.00 0.00 H new ATOM 0 HA GLN A 53 17.940 -5.664 2.441 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.230 -5.223 5.362 1.00 0.00 H new ATOM 0 HB3 GLN A 53 16.139 -5.845 4.140 1.00 0.00 H new ATOM 0 HG2 GLN A 53 18.696 -7.163 5.112 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.059 -7.667 5.483 1.00 0.00 H new ATOM 0 HE21 GLN A 53 19.293 -9.106 4.163 1.00 0.00 H new ATOM 0 HE22 GLN A 53 18.667 -9.624 2.594 1.00 0.00 H new ATOM 865 N HIS A 54 17.665 -2.758 3.984 1.00 0.00 N ATOM 866 CA HIS A 54 17.178 -1.394 3.835 1.00 0.00 C ATOM 867 C HIS A 54 17.899 -0.690 2.683 1.00 0.00 C ATOM 868 O HIS A 54 17.339 0.194 2.036 1.00 0.00 O ATOM 869 CB HIS A 54 17.351 -0.609 5.143 1.00 0.00 C ATOM 870 CG HIS A 54 16.820 0.793 5.081 1.00 0.00 C ATOM 871 ND1 HIS A 54 15.479 1.101 5.184 1.00 0.00 N ATOM 872 CD2 HIS A 54 17.462 1.975 4.922 1.00 0.00 C ATOM 873 CE1 HIS A 54 15.322 2.409 5.092 1.00 0.00 C ATOM 874 NE2 HIS A 54 16.510 2.960 4.933 1.00 0.00 N ATOM 0 H HIS A 54 18.231 -2.915 4.818 1.00 0.00 H new ATOM 0 HA HIS A 54 16.114 -1.434 3.601 1.00 0.00 H new ATOM 0 HB2 HIS A 54 16.845 -1.144 5.947 1.00 0.00 H new ATOM 0 HB3 HIS A 54 18.410 -0.576 5.399 1.00 0.00 H new ATOM 0 HD2 HIS A 54 18.527 2.115 4.808 1.00 0.00 H new ATOM 0 HE1 HIS A 54 14.381 2.938 5.139 1.00 0.00 H new ATOM 0 HE2 HIS A 54 16.691 3.959 4.834 1.00 0.00 H new ATOM 883 N GLU A 55 19.141 -1.093 2.434 1.00 0.00 N ATOM 884 CA GLU A 55 19.923 -0.556 1.326 1.00 0.00 C ATOM 885 C GLU A 55 19.212 -0.822 0.004 1.00 0.00 C ATOM 886 O GLU A 55 19.086 0.069 -0.829 1.00 0.00 O ATOM 887 CB GLU A 55 21.322 -1.180 1.311 1.00 0.00 C ATOM 888 CG GLU A 55 22.217 -0.676 0.188 1.00 0.00 C ATOM 889 CD GLU A 55 22.489 0.810 0.277 1.00 0.00 C ATOM 890 OE1 GLU A 55 23.292 1.219 1.140 1.00 0.00 O ATOM 891 OE2 GLU A 55 21.908 1.577 -0.517 1.00 0.00 O ATOM 0 H GLU A 55 19.630 -1.795 2.989 1.00 0.00 H new ATOM 0 HA GLU A 55 20.024 0.521 1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.808 -0.979 2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.224 -2.262 1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 55 23.163 -1.216 0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 55 21.749 -0.898 -0.771 1.00 0.00 H new ATOM 898 N ARG A 56 18.737 -2.047 -0.177 1.00 0.00 N ATOM 899 CA ARG A 56 17.987 -2.393 -1.379 1.00 0.00 C ATOM 900 C ARG A 56 16.576 -1.826 -1.308 1.00 0.00 C ATOM 901 O ARG A 56 16.024 -1.387 -2.313 1.00 0.00 O ATOM 902 CB ARG A 56 17.934 -3.909 -1.583 1.00 0.00 C ATOM 903 CG ARG A 56 19.286 -4.542 -1.870 1.00 0.00 C ATOM 904 CD ARG A 56 19.995 -3.857 -3.033 1.00 0.00 C ATOM 905 NE ARG A 56 19.121 -3.688 -4.195 1.00 0.00 N ATOM 906 CZ ARG A 56 19.478 -3.968 -5.446 1.00 0.00 C ATOM 907 NH1 ARG A 56 20.671 -4.486 -5.706 1.00 0.00 N ATOM 908 NH2 ARG A 56 18.631 -3.736 -6.442 1.00 0.00 N ATOM 0 H ARG A 56 18.856 -2.813 0.486 1.00 0.00 H new ATOM 0 HA ARG A 56 18.504 -1.953 -2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 56 17.510 -4.371 -0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 56 17.258 -4.131 -2.409 1.00 0.00 H new ATOM 0 HG2 ARG A 56 19.911 -4.485 -0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 56 19.152 -5.599 -2.098 1.00 0.00 H new ATOM 0 HD2 ARG A 56 20.359 -2.882 -2.710 1.00 0.00 H new ATOM 0 HD3 ARG A 56 20.868 -4.444 -3.320 1.00 0.00 H new ATOM 0 HE ARG A 56 18.178 -3.333 -4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 56 21.323 -4.673 -4.944 1.00 0.00 H new ATOM 0 HH12 ARG A 56 20.936 -4.698 -6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 56 17.710 -3.344 -6.247 1.00 0.00 H new ATOM 0 HH22 ARG A 56 18.902 -3.950 -7.402 1.00 0.00 H new ATOM 922 N ASP A 57 16.013 -1.830 -0.105 1.00 0.00 N ATOM 923 CA ASP A 57 14.681 -1.279 0.145 1.00 0.00 C ATOM 924 C ASP A 57 14.550 0.148 -0.383 1.00 0.00 C ATOM 925 O ASP A 57 13.564 0.495 -1.031 1.00 0.00 O ATOM 926 CB ASP A 57 14.391 -1.299 1.648 1.00 0.00 C ATOM 927 CG ASP A 57 13.142 -0.528 2.026 1.00 0.00 C ATOM 928 OD1 ASP A 57 13.246 0.692 2.290 1.00 0.00 O ATOM 929 OD2 ASP A 57 12.054 -1.137 2.080 1.00 0.00 O ATOM 0 H ASP A 57 16.464 -2.214 0.725 1.00 0.00 H new ATOM 0 HA ASP A 57 13.958 -1.899 -0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.285 -2.333 1.977 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.244 -0.880 2.182 1.00 0.00 H new ATOM 934 N THR A 58 15.551 0.965 -0.105 1.00 0.00 N ATOM 935 CA THR A 58 15.520 2.367 -0.484 1.00 0.00 C ATOM 936 C THR A 58 16.390 2.635 -1.718 1.00 0.00 C ATOM 937 O THR A 58 16.257 3.666 -2.379 1.00 0.00 O ATOM 938 CB THR A 58 16.000 3.227 0.701 1.00 0.00 C ATOM 939 OG1 THR A 58 15.313 2.817 1.894 1.00 0.00 O ATOM 940 CG2 THR A 58 15.740 4.705 0.459 1.00 0.00 C ATOM 0 H THR A 58 16.399 0.680 0.384 1.00 0.00 H new ATOM 0 HA THR A 58 14.494 2.632 -0.741 1.00 0.00 H new ATOM 0 HB THR A 58 17.075 3.083 0.810 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.594 2.193 1.660 1.00 0.00 H new ATOM 0 HG21 THR A 58 16.091 5.281 1.315 1.00 0.00 H new ATOM 0 HG22 THR A 58 16.271 5.026 -0.437 1.00 0.00 H new ATOM 0 HG23 THR A 58 14.671 4.869 0.325 1.00 0.00 H new ATOM 948 N GLY A 59 17.260 1.690 -2.042 1.00 0.00 N ATOM 949 CA GLY A 59 18.190 1.882 -3.140 1.00 0.00 C ATOM 950 C GLY A 59 17.691 1.323 -4.458 1.00 0.00 C ATOM 951 O GLY A 59 18.302 1.550 -5.503 1.00 0.00 O ATOM 0 H GLY A 59 17.340 0.792 -1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 59 18.387 2.948 -3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 59 19.139 1.408 -2.889 1.00 0.00 H new ATOM 955 N GLY A 60 16.592 0.587 -4.417 1.00 0.00 N ATOM 956 CA GLY A 60 16.018 0.052 -5.636 1.00 0.00 C ATOM 957 C GLY A 60 15.739 -1.431 -5.538 1.00 0.00 C ATOM 958 O GLY A 60 16.598 -2.208 -5.108 1.00 0.00 O ATOM 0 H GLY A 60 16.087 0.350 -3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.091 0.580 -5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 60 16.699 0.237 -6.467 1.00 0.00 H new ATOM 962 N ASP A 61 14.542 -1.823 -5.941 1.00 0.00 N ATOM 963 CA ASP A 61 14.130 -3.219 -5.878 1.00 0.00 C ATOM 964 C ASP A 61 14.899 -4.067 -6.883 1.00 0.00 C ATOM 965 O ASP A 61 15.336 -3.581 -7.929 1.00 0.00 O ATOM 966 CB ASP A 61 12.621 -3.360 -6.122 1.00 0.00 C ATOM 967 CG ASP A 61 12.175 -2.800 -7.461 1.00 0.00 C ATOM 968 OD1 ASP A 61 12.259 -3.523 -8.476 1.00 0.00 O ATOM 969 OD2 ASP A 61 11.717 -1.639 -7.499 1.00 0.00 O ATOM 0 H ASP A 61 13.834 -1.192 -6.317 1.00 0.00 H new ATOM 0 HA ASP A 61 14.357 -3.579 -4.875 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.348 -4.414 -6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.082 -2.849 -5.324 1.00 0.00 H new ATOM 974 N ASP A 62 15.073 -5.333 -6.542 1.00 0.00 N ATOM 975 CA ASP A 62 15.756 -6.285 -7.403 1.00 0.00 C ATOM 976 C ASP A 62 14.806 -7.449 -7.692 1.00 0.00 C ATOM 977 O ASP A 62 13.593 -7.309 -7.520 1.00 0.00 O ATOM 978 CB ASP A 62 17.049 -6.776 -6.730 1.00 0.00 C ATOM 979 CG ASP A 62 18.054 -7.334 -7.723 1.00 0.00 C ATOM 980 OD1 ASP A 62 17.971 -8.538 -8.047 1.00 0.00 O ATOM 981 OD2 ASP A 62 18.923 -6.570 -8.188 1.00 0.00 O ATOM 0 H ASP A 62 14.745 -5.730 -5.661 1.00 0.00 H new ATOM 0 HA ASP A 62 16.036 -5.810 -8.343 1.00 0.00 H new ATOM 0 HB2 ASP A 62 17.505 -5.950 -6.184 1.00 0.00 H new ATOM 0 HB3 ASP A 62 16.803 -7.545 -5.998 1.00 0.00 H new ATOM 986 N GLY A 63 15.340 -8.578 -8.136 1.00 0.00 N ATOM 987 CA GLY A 63 14.513 -9.730 -8.440 1.00 0.00 C ATOM 988 C GLY A 63 13.624 -9.499 -9.650 1.00 0.00 C ATOM 989 O GLY A 63 12.538 -10.066 -9.748 1.00 0.00 O ATOM 0 H GLY A 63 16.338 -8.718 -8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 63 15.151 -10.595 -8.621 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.892 -9.967 -7.576 1.00 0.00 H new ATOM 993 N GLY A 64 14.090 -8.663 -10.569 1.00 0.00 N ATOM 994 CA GLY A 64 13.322 -8.357 -11.760 1.00 0.00 C ATOM 995 C GLY A 64 14.117 -8.631 -13.015 1.00 0.00 C ATOM 996 O GLY A 64 14.684 -7.710 -13.607 1.00 0.00 O ATOM 0 H GLY A 64 14.991 -8.189 -10.510 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.409 -8.952 -11.769 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.020 -7.310 -11.741 1.00 0.00 H new ATOM 1000 N LEU A 65 14.177 -9.913 -13.392 1.00 0.00 N ATOM 1001 CA LEU A 65 14.959 -10.378 -14.547 1.00 0.00 C ATOM 1002 C LEU A 65 16.454 -10.318 -14.228 1.00 0.00 C ATOM 1003 O LEU A 65 17.309 -10.611 -15.069 1.00 0.00 O ATOM 1004 CB LEU A 65 14.630 -9.561 -15.807 1.00 0.00 C ATOM 1005 CG LEU A 65 15.249 -10.078 -17.111 1.00 0.00 C ATOM 1006 CD1 LEU A 65 14.703 -11.453 -17.461 1.00 0.00 C ATOM 1007 CD2 LEU A 65 14.990 -9.100 -18.246 1.00 0.00 C ATOM 0 H LEU A 65 13.684 -10.661 -12.904 1.00 0.00 H new ATOM 0 HA LEU A 65 14.689 -11.414 -14.751 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.547 -9.531 -15.927 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.962 -8.535 -15.650 1.00 0.00 H new ATOM 0 HG LEU A 65 16.326 -10.166 -16.965 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.157 -11.799 -18.390 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.939 -12.153 -16.659 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.622 -11.394 -17.585 1.00 0.00 H new ATOM 0 HD21 LEU A 65 15.436 -9.482 -19.164 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.916 -8.982 -18.386 1.00 0.00 H new ATOM 0 HD23 LEU A 65 15.433 -8.134 -18.002 1.00 0.00 H new ATOM 1019 N THR A 66 16.757 -9.957 -12.992 1.00 0.00 N ATOM 1020 CA THR A 66 18.122 -9.859 -12.529 1.00 0.00 C ATOM 1021 C THR A 66 18.555 -11.159 -11.868 1.00 0.00 C ATOM 1022 O THR A 66 17.917 -11.638 -10.930 1.00 0.00 O ATOM 1023 CB THR A 66 18.278 -8.685 -11.546 1.00 0.00 C ATOM 1024 OG1 THR A 66 17.226 -8.725 -10.573 1.00 0.00 O ATOM 1025 CG2 THR A 66 18.237 -7.353 -12.279 1.00 0.00 C ATOM 0 H THR A 66 16.060 -9.725 -12.285 1.00 0.00 H new ATOM 0 HA THR A 66 18.763 -9.676 -13.392 1.00 0.00 H new ATOM 0 HB THR A 66 19.244 -8.780 -11.051 1.00 0.00 H new ATOM 0 HG1 THR A 66 17.586 -9.032 -9.715 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.349 -6.540 -11.562 1.00 0.00 H new ATOM 0 HG22 THR A 66 19.049 -7.312 -13.005 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.283 -7.252 -12.796 1.00 0.00 H new ATOM 1033 N THR A 67 19.627 -11.735 -12.377 1.00 0.00 N ATOM 1034 CA THR A 67 20.132 -12.996 -11.871 1.00 0.00 C ATOM 1035 C THR A 67 21.645 -12.923 -11.671 1.00 0.00 C ATOM 1036 O THR A 67 22.134 -12.577 -10.594 1.00 0.00 O ATOM 1037 CB THR A 67 19.789 -14.157 -12.836 1.00 0.00 C ATOM 1038 OG1 THR A 67 20.191 -13.822 -14.177 1.00 0.00 O ATOM 1039 CG2 THR A 67 18.300 -14.473 -12.815 1.00 0.00 C ATOM 0 H THR A 67 20.169 -11.345 -13.148 1.00 0.00 H new ATOM 0 HA THR A 67 19.653 -13.187 -10.911 1.00 0.00 H new ATOM 0 HB THR A 67 20.333 -15.040 -12.500 1.00 0.00 H new ATOM 0 HG1 THR A 67 19.971 -14.563 -14.779 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.092 -15.292 -13.503 1.00 0.00 H new ATOM 0 HG22 THR A 67 18.004 -14.762 -11.807 1.00 0.00 H new ATOM 0 HG23 THR A 67 17.737 -13.591 -13.120 1.00 0.00 H new ATOM 1047 N ALA A 68 22.375 -13.235 -12.728 1.00 0.00 N ATOM 1048 CA ALA A 68 23.825 -13.146 -12.731 1.00 0.00 C ATOM 1049 C ALA A 68 24.302 -12.742 -14.113 1.00 0.00 C ATOM 1050 O ALA A 68 25.488 -12.835 -14.434 1.00 0.00 O ATOM 1051 CB ALA A 68 24.444 -14.473 -12.315 1.00 0.00 C ATOM 0 H ALA A 68 21.978 -13.558 -13.610 1.00 0.00 H new ATOM 0 HA ALA A 68 24.139 -12.391 -12.011 1.00 0.00 H new ATOM 0 HB1 ALA A 68 25.531 -14.386 -12.323 1.00 0.00 H new ATOM 0 HB2 ALA A 68 24.108 -14.732 -11.311 1.00 0.00 H new ATOM 0 HB3 ALA A 68 24.137 -15.252 -13.012 1.00 0.00 H new ATOM 1057 N GLU A 69 23.363 -12.285 -14.928 1.00 0.00 N ATOM 1058 CA GLU A 69 23.654 -11.921 -16.301 1.00 0.00 C ATOM 1059 C GLU A 69 22.648 -10.886 -16.796 1.00 0.00 C ATOM 1060 O GLU A 69 21.562 -11.233 -17.269 1.00 0.00 O ATOM 1061 CB GLU A 69 23.613 -13.162 -17.198 1.00 0.00 C ATOM 1062 CG GLU A 69 24.451 -13.041 -18.462 1.00 0.00 C ATOM 1063 CD GLU A 69 25.933 -12.963 -18.164 1.00 0.00 C ATOM 1064 OE1 GLU A 69 26.572 -14.024 -18.025 1.00 0.00 O ATOM 1065 OE2 GLU A 69 26.468 -11.843 -18.052 1.00 0.00 O ATOM 0 H GLU A 69 22.388 -12.158 -14.657 1.00 0.00 H new ATOM 0 HA GLU A 69 24.654 -11.489 -16.343 1.00 0.00 H new ATOM 0 HB2 GLU A 69 23.960 -14.023 -16.626 1.00 0.00 H new ATOM 0 HB3 GLU A 69 22.579 -13.361 -17.478 1.00 0.00 H new ATOM 0 HG2 GLU A 69 24.257 -13.898 -19.107 1.00 0.00 H new ATOM 0 HG3 GLU A 69 24.146 -12.151 -19.013 1.00 0.00 H new ATOM 1072 N ARG A 70 22.991 -9.619 -16.629 1.00 0.00 N ATOM 1073 CA ARG A 70 22.173 -8.523 -17.129 1.00 0.00 C ATOM 1074 C ARG A 70 23.026 -7.595 -17.979 1.00 0.00 C ATOM 1075 O ARG A 70 22.657 -7.240 -19.099 1.00 0.00 O ATOM 1076 CB ARG A 70 21.542 -7.745 -15.972 1.00 0.00 C ATOM 1077 CG ARG A 70 20.605 -6.636 -16.424 1.00 0.00 C ATOM 1078 CD ARG A 70 20.046 -5.861 -15.239 1.00 0.00 C ATOM 1079 NE ARG A 70 19.068 -4.851 -15.652 1.00 0.00 N ATOM 1080 CZ ARG A 70 18.441 -4.031 -14.808 1.00 0.00 C ATOM 1081 NH1 ARG A 70 18.723 -4.057 -13.508 1.00 0.00 N ATOM 1082 NH2 ARG A 70 17.546 -3.164 -15.267 1.00 0.00 N ATOM 0 H ARG A 70 23.839 -9.321 -16.146 1.00 0.00 H new ATOM 0 HA ARG A 70 21.370 -8.937 -17.739 1.00 0.00 H new ATOM 0 HB2 ARG A 70 20.991 -8.438 -15.337 1.00 0.00 H new ATOM 0 HB3 ARG A 70 22.334 -7.313 -15.361 1.00 0.00 H new ATOM 0 HG2 ARG A 70 21.139 -5.955 -17.087 1.00 0.00 H new ATOM 0 HG3 ARG A 70 19.785 -7.064 -17.000 1.00 0.00 H new ATOM 0 HD2 ARG A 70 19.577 -6.555 -14.541 1.00 0.00 H new ATOM 0 HD3 ARG A 70 20.864 -5.376 -14.705 1.00 0.00 H new ATOM 0 HE ARG A 70 18.854 -4.770 -16.646 1.00 0.00 H new ATOM 0 HH11 ARG A 70 19.423 -4.707 -13.151 1.00 0.00 H new ATOM 0 HH12 ARG A 70 18.239 -3.427 -12.868 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.338 -3.126 -16.265 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.066 -2.537 -14.622 1.00 0.00 H new ATOM 1096 N GLN A 71 24.179 -7.214 -17.440 1.00 0.00 N ATOM 1097 CA GLN A 71 25.120 -6.372 -18.162 1.00 0.00 C ATOM 1098 C GLN A 71 25.928 -7.228 -19.130 1.00 0.00 C ATOM 1099 O GLN A 71 27.029 -7.680 -18.818 1.00 0.00 O ATOM 1100 CB GLN A 71 26.046 -5.640 -17.189 1.00 0.00 C ATOM 1101 CG GLN A 71 25.309 -4.742 -16.207 1.00 0.00 C ATOM 1102 CD GLN A 71 26.243 -4.042 -15.238 1.00 0.00 C ATOM 1103 OE1 GLN A 71 27.348 -4.693 -14.903 1.00 0.00 O flip ATOM 1104 NE2 GLN A 71 25.970 -2.930 -14.790 1.00 0.00 N flip ATOM 0 H GLN A 71 24.483 -7.477 -16.503 1.00 0.00 H new ATOM 0 HA GLN A 71 24.566 -5.621 -18.726 1.00 0.00 H new ATOM 0 HB2 GLN A 71 26.627 -6.374 -16.631 1.00 0.00 H new ATOM 0 HB3 GLN A 71 26.755 -5.038 -17.758 1.00 0.00 H new ATOM 0 HG2 GLN A 71 24.740 -3.995 -16.761 1.00 0.00 H new ATOM 0 HG3 GLN A 71 24.590 -5.338 -15.645 1.00 0.00 H new ATOM 0 HE21 GLN A 71 25.109 -2.463 -15.074 1.00 0.00 H new ATOM 0 HE22 GLN A 71 26.605 -2.474 -14.135 1.00 0.00 H new ATOM 1113 N ARG A 72 25.341 -7.496 -20.281 1.00 0.00 N ATOM 1114 CA ARG A 72 25.968 -8.340 -21.283 1.00 0.00 C ATOM 1115 C ARG A 72 25.874 -7.666 -22.645 1.00 0.00 C ATOM 1116 O ARG A 72 26.085 -8.290 -23.684 1.00 0.00 O ATOM 1117 CB ARG A 72 25.265 -9.699 -21.312 1.00 0.00 C ATOM 1118 CG ARG A 72 26.082 -10.821 -21.937 1.00 0.00 C ATOM 1119 CD ARG A 72 25.293 -12.121 -21.954 1.00 0.00 C ATOM 1120 NE ARG A 72 26.107 -13.274 -22.339 1.00 0.00 N ATOM 1121 CZ ARG A 72 25.626 -14.511 -22.466 1.00 0.00 C ATOM 1122 NH1 ARG A 72 24.334 -14.752 -22.272 1.00 0.00 N ATOM 1123 NH2 ARG A 72 26.440 -15.506 -22.791 1.00 0.00 N ATOM 0 H ARG A 72 24.424 -7.139 -20.547 1.00 0.00 H new ATOM 0 HA ARG A 72 27.019 -8.490 -21.036 1.00 0.00 H new ATOM 0 HB2 ARG A 72 25.005 -9.981 -20.292 1.00 0.00 H new ATOM 0 HB3 ARG A 72 24.330 -9.598 -21.863 1.00 0.00 H new ATOM 0 HG2 ARG A 72 26.364 -10.548 -22.954 1.00 0.00 H new ATOM 0 HG3 ARG A 72 27.007 -10.959 -21.376 1.00 0.00 H new ATOM 0 HD2 ARG A 72 24.868 -12.296 -20.965 1.00 0.00 H new ATOM 0 HD3 ARG A 72 24.457 -12.024 -22.647 1.00 0.00 H new ATOM 0 HE ARG A 72 27.099 -13.123 -22.521 1.00 0.00 H new ATOM 0 HH11 ARG A 72 23.704 -13.989 -22.025 1.00 0.00 H new ATOM 0 HH12 ARG A 72 23.972 -15.700 -22.371 1.00 0.00 H new ATOM 0 HH21 ARG A 72 27.432 -15.324 -22.943 1.00 0.00 H new ATOM 0 HH22 ARG A 72 26.074 -16.453 -22.889 1.00 0.00 H new ATOM 1137 N LEU A 73 25.564 -6.375 -22.621 1.00 0.00 N ATOM 1138 CA LEU A 73 25.362 -5.609 -23.841 1.00 0.00 C ATOM 1139 C LEU A 73 26.708 -5.235 -24.447 1.00 0.00 C ATOM 1140 O LEU A 73 27.425 -4.387 -23.917 1.00 0.00 O ATOM 1141 CB LEU A 73 24.526 -4.352 -23.537 1.00 0.00 C ATOM 1142 CG LEU A 73 23.898 -3.637 -24.746 1.00 0.00 C ATOM 1143 CD1 LEU A 73 22.844 -2.647 -24.278 1.00 0.00 C ATOM 1144 CD2 LEU A 73 24.949 -2.912 -25.576 1.00 0.00 C ATOM 0 H LEU A 73 25.447 -5.836 -21.763 1.00 0.00 H new ATOM 0 HA LEU A 73 24.818 -6.216 -24.565 1.00 0.00 H new ATOM 0 HB2 LEU A 73 23.725 -4.632 -22.852 1.00 0.00 H new ATOM 0 HB3 LEU A 73 25.161 -3.639 -23.011 1.00 0.00 H new ATOM 0 HG LEU A 73 23.434 -4.397 -25.375 1.00 0.00 H new ATOM 0 HD11 LEU A 73 22.406 -2.147 -25.142 1.00 0.00 H new ATOM 0 HD12 LEU A 73 22.064 -3.177 -23.732 1.00 0.00 H new ATOM 0 HD13 LEU A 73 23.305 -1.906 -23.625 1.00 0.00 H new ATOM 0 HD21 LEU A 73 24.469 -2.419 -26.421 1.00 0.00 H new ATOM 0 HD22 LEU A 73 25.450 -2.167 -24.958 1.00 0.00 H new ATOM 0 HD23 LEU A 73 25.681 -3.631 -25.944 1.00 0.00 H new ATOM 1156 N LYS A 74 27.052 -5.888 -25.541 1.00 0.00 N ATOM 1157 CA LYS A 74 28.278 -5.579 -26.251 1.00 0.00 C ATOM 1158 C LYS A 74 27.972 -4.733 -27.478 1.00 0.00 C ATOM 1159 O LYS A 74 26.907 -4.876 -28.083 1.00 0.00 O ATOM 1160 CB LYS A 74 29.005 -6.861 -26.662 1.00 0.00 C ATOM 1161 CG LYS A 74 29.451 -7.705 -25.482 1.00 0.00 C ATOM 1162 CD LYS A 74 30.248 -8.921 -25.929 1.00 0.00 C ATOM 1163 CE LYS A 74 30.748 -9.727 -24.736 1.00 0.00 C ATOM 1164 NZ LYS A 74 31.685 -8.946 -23.881 1.00 0.00 N ATOM 0 H LYS A 74 26.499 -6.637 -25.958 1.00 0.00 H new ATOM 0 HA LYS A 74 28.929 -5.015 -25.584 1.00 0.00 H new ATOM 0 HB2 LYS A 74 28.348 -7.455 -27.297 1.00 0.00 H new ATOM 0 HB3 LYS A 74 29.876 -6.599 -27.262 1.00 0.00 H new ATOM 0 HG2 LYS A 74 30.058 -7.099 -24.810 1.00 0.00 H new ATOM 0 HG3 LYS A 74 28.578 -8.030 -24.916 1.00 0.00 H new ATOM 0 HD2 LYS A 74 29.626 -9.553 -26.562 1.00 0.00 H new ATOM 0 HD3 LYS A 74 31.096 -8.600 -26.534 1.00 0.00 H new ATOM 0 HE2 LYS A 74 29.897 -10.051 -24.137 1.00 0.00 H new ATOM 0 HE3 LYS A 74 31.249 -10.627 -25.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 32.179 -9.589 -23.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 32.381 -8.460 -24.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 31.150 -8.242 -23.333 1.00 0.00 H new ATOM 1178 N GLU A 75 28.913 -3.856 -27.825 1.00 0.00 N ATOM 1179 CA GLU A 75 28.770 -2.954 -28.966 1.00 0.00 C ATOM 1180 C GLU A 75 27.596 -1.996 -28.754 1.00 0.00 C ATOM 1181 O GLU A 75 26.464 -2.263 -29.162 1.00 0.00 O ATOM 1182 CB GLU A 75 28.611 -3.748 -30.268 1.00 0.00 C ATOM 1183 CG GLU A 75 29.809 -4.634 -30.570 1.00 0.00 C ATOM 1184 CD GLU A 75 29.571 -5.572 -31.731 1.00 0.00 C ATOM 1185 OE1 GLU A 75 29.816 -5.170 -32.887 1.00 0.00 O ATOM 1186 OE2 GLU A 75 29.153 -6.727 -31.493 1.00 0.00 O ATOM 0 H GLU A 75 29.795 -3.751 -27.323 1.00 0.00 H new ATOM 0 HA GLU A 75 29.678 -2.356 -29.048 1.00 0.00 H new ATOM 0 HB2 GLU A 75 27.715 -4.366 -30.204 1.00 0.00 H new ATOM 0 HB3 GLU A 75 28.461 -3.054 -31.095 1.00 0.00 H new ATOM 0 HG2 GLU A 75 30.673 -4.006 -30.788 1.00 0.00 H new ATOM 0 HG3 GLU A 75 30.055 -5.218 -29.683 1.00 0.00 H new ATOM 1193 N PRO A 76 27.858 -0.867 -28.081 1.00 0.00 N ATOM 1194 CA PRO A 76 26.828 0.101 -27.727 1.00 0.00 C ATOM 1195 C PRO A 76 26.499 1.072 -28.860 1.00 0.00 C ATOM 1196 O PRO A 76 27.350 1.850 -29.299 1.00 0.00 O ATOM 1197 CB PRO A 76 27.452 0.841 -26.548 1.00 0.00 C ATOM 1198 CG PRO A 76 28.921 0.807 -26.810 1.00 0.00 C ATOM 1199 CD PRO A 76 29.192 -0.447 -27.605 1.00 0.00 C ATOM 0 HA PRO A 76 25.876 -0.381 -27.503 1.00 0.00 H new ATOM 0 HB2 PRO A 76 27.085 1.865 -26.485 1.00 0.00 H new ATOM 0 HB3 PRO A 76 27.208 0.356 -25.603 1.00 0.00 H new ATOM 0 HG2 PRO A 76 29.236 1.692 -27.364 1.00 0.00 H new ATOM 0 HG3 PRO A 76 29.481 0.801 -25.875 1.00 0.00 H new ATOM 0 HD2 PRO A 76 29.869 -0.253 -28.437 1.00 0.00 H new ATOM 0 HD3 PRO A 76 29.656 -1.217 -26.989 1.00 0.00 H new ATOM 1207 N GLU A 77 25.267 1.016 -29.344 1.00 0.00 N ATOM 1208 CA GLU A 77 24.798 1.970 -30.335 1.00 0.00 C ATOM 1209 C GLU A 77 23.872 2.969 -29.651 1.00 0.00 C ATOM 1210 O GLU A 77 22.861 2.586 -29.062 1.00 0.00 O ATOM 1211 CB GLU A 77 24.090 1.255 -31.490 1.00 0.00 C ATOM 1212 CG GLU A 77 23.869 2.138 -32.707 1.00 0.00 C ATOM 1213 CD GLU A 77 23.533 1.339 -33.951 1.00 0.00 C ATOM 1214 OE1 GLU A 77 24.453 0.709 -34.521 1.00 0.00 O ATOM 1215 OE2 GLU A 77 22.359 1.337 -34.368 1.00 0.00 O ATOM 0 H GLU A 77 24.575 0.320 -29.066 1.00 0.00 H new ATOM 0 HA GLU A 77 25.648 2.502 -30.763 1.00 0.00 H new ATOM 0 HB2 GLU A 77 24.679 0.386 -31.784 1.00 0.00 H new ATOM 0 HB3 GLU A 77 23.126 0.884 -31.141 1.00 0.00 H new ATOM 0 HG2 GLU A 77 23.061 2.840 -32.501 1.00 0.00 H new ATOM 0 HG3 GLU A 77 24.766 2.730 -32.890 1.00 0.00 H new ATOM 1222 N ARG A 78 24.238 4.242 -29.713 1.00 0.00 N ATOM 1223 CA ARG A 78 23.585 5.273 -28.913 1.00 0.00 C ATOM 1224 C ARG A 78 22.184 5.601 -29.412 1.00 0.00 C ATOM 1225 O ARG A 78 21.271 5.816 -28.611 1.00 0.00 O ATOM 1226 CB ARG A 78 24.437 6.541 -28.903 1.00 0.00 C ATOM 1227 CG ARG A 78 25.798 6.355 -28.253 1.00 0.00 C ATOM 1228 CD ARG A 78 26.626 7.625 -28.338 1.00 0.00 C ATOM 1229 NE ARG A 78 25.950 8.761 -27.718 1.00 0.00 N ATOM 1230 CZ ARG A 78 26.405 10.009 -27.750 1.00 0.00 C ATOM 1231 NH1 ARG A 78 27.542 10.288 -28.372 1.00 0.00 N ATOM 1232 NH2 ARG A 78 25.712 10.972 -27.156 1.00 0.00 N ATOM 0 H ARG A 78 24.988 4.588 -30.312 1.00 0.00 H new ATOM 0 HA ARG A 78 23.486 4.879 -27.902 1.00 0.00 H new ATOM 0 HB2 ARG A 78 24.577 6.882 -29.929 1.00 0.00 H new ATOM 0 HB3 ARG A 78 23.897 7.328 -28.376 1.00 0.00 H new ATOM 0 HG2 ARG A 78 25.669 6.071 -27.209 1.00 0.00 H new ATOM 0 HG3 ARG A 78 26.329 5.538 -28.742 1.00 0.00 H new ATOM 0 HD2 ARG A 78 27.587 7.464 -27.850 1.00 0.00 H new ATOM 0 HD3 ARG A 78 26.834 7.853 -29.383 1.00 0.00 H new ATOM 0 HE ARG A 78 25.072 8.585 -27.229 1.00 0.00 H new ATOM 0 HH11 ARG A 78 28.070 9.544 -28.828 1.00 0.00 H new ATOM 0 HH12 ARG A 78 27.889 11.247 -28.395 1.00 0.00 H new ATOM 0 HH21 ARG A 78 24.837 10.751 -26.680 1.00 0.00 H new ATOM 0 HH22 ARG A 78 26.054 11.933 -27.176 1.00 0.00 H new ATOM 1246 N GLU A 79 22.020 5.673 -30.722 1.00 0.00 N ATOM 1247 CA GLU A 79 20.731 6.016 -31.301 1.00 0.00 C ATOM 1248 C GLU A 79 19.704 4.928 -31.006 1.00 0.00 C ATOM 1249 O GLU A 79 19.783 3.816 -31.530 1.00 0.00 O ATOM 1250 CB GLU A 79 20.849 6.250 -32.807 1.00 0.00 C ATOM 1251 CG GLU A 79 21.780 7.399 -33.181 1.00 0.00 C ATOM 1252 CD GLU A 79 23.235 6.980 -33.246 1.00 0.00 C ATOM 1253 OE1 GLU A 79 23.921 6.989 -32.205 1.00 0.00 O ATOM 1254 OE2 GLU A 79 23.701 6.644 -34.350 1.00 0.00 O ATOM 0 H GLU A 79 22.759 5.499 -31.403 1.00 0.00 H new ATOM 0 HA GLU A 79 20.392 6.945 -30.842 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.207 5.336 -33.280 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.858 6.451 -33.213 1.00 0.00 H new ATOM 0 HG2 GLU A 79 21.480 7.804 -34.148 1.00 0.00 H new ATOM 0 HG3 GLU A 79 21.670 8.201 -32.452 1.00 0.00 H new ATOM 1261 N ASN A 80 18.749 5.258 -30.152 1.00 0.00 N ATOM 1262 CA ASN A 80 17.737 4.306 -29.722 1.00 0.00 C ATOM 1263 C ASN A 80 16.716 4.070 -30.833 1.00 0.00 C ATOM 1264 O ASN A 80 15.766 4.839 -30.994 1.00 0.00 O ATOM 1265 CB ASN A 80 17.029 4.825 -28.468 1.00 0.00 C ATOM 1266 CG ASN A 80 16.227 3.754 -27.748 1.00 0.00 C ATOM 1267 OD1 ASN A 80 15.825 2.751 -28.337 1.00 0.00 O ATOM 1268 ND2 ASN A 80 15.976 3.969 -26.466 1.00 0.00 N ATOM 0 H ASN A 80 18.653 6.186 -29.740 1.00 0.00 H new ATOM 0 HA ASN A 80 18.228 3.360 -29.492 1.00 0.00 H new ATOM 0 HB2 ASN A 80 17.771 5.236 -27.783 1.00 0.00 H new ATOM 0 HB3 ASN A 80 16.364 5.643 -28.746 1.00 0.00 H new ATOM 0 HD21 ASN A 80 15.432 3.291 -25.932 1.00 0.00 H new ATOM 0 HD22 ASN A 80 16.326 4.813 -26.012 1.00 0.00 H new ATOM 1275 N ARG A 81 16.932 3.027 -31.615 1.00 0.00 N ATOM 1276 CA ARG A 81 16.002 2.670 -32.669 1.00 0.00 C ATOM 1277 C ARG A 81 14.993 1.657 -32.137 1.00 0.00 C ATOM 1278 O ARG A 81 15.273 0.462 -32.083 1.00 0.00 O ATOM 1279 CB ARG A 81 16.760 2.108 -33.875 1.00 0.00 C ATOM 1280 CG ARG A 81 15.920 2.013 -35.138 1.00 0.00 C ATOM 1281 CD ARG A 81 16.744 1.514 -36.317 1.00 0.00 C ATOM 1282 NE ARG A 81 17.144 0.116 -36.165 1.00 0.00 N ATOM 1283 CZ ARG A 81 18.408 -0.307 -36.178 1.00 0.00 C ATOM 1284 NH1 ARG A 81 19.404 0.557 -36.313 1.00 0.00 N ATOM 1285 NH2 ARG A 81 18.675 -1.596 -36.059 1.00 0.00 N ATOM 0 H ARG A 81 17.743 2.413 -31.539 1.00 0.00 H new ATOM 0 HA ARG A 81 15.464 3.560 -32.995 1.00 0.00 H new ATOM 0 HB2 ARG A 81 17.627 2.738 -34.073 1.00 0.00 H new ATOM 0 HB3 ARG A 81 17.137 1.116 -33.625 1.00 0.00 H new ATOM 0 HG2 ARG A 81 15.080 1.339 -34.968 1.00 0.00 H new ATOM 0 HG3 ARG A 81 15.501 2.992 -35.373 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.166 1.626 -37.234 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.634 2.134 -36.423 1.00 0.00 H new ATOM 0 HE ARG A 81 16.409 -0.580 -36.041 1.00 0.00 H new ATOM 0 HH11 ARG A 81 19.206 1.553 -36.408 1.00 0.00 H new ATOM 0 HH12 ARG A 81 20.369 0.226 -36.322 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.914 -2.267 -35.957 1.00 0.00 H new ATOM 0 HH22 ARG A 81 19.642 -1.920 -36.069 1.00 0.00 H new ATOM 1299 N GLU A 82 13.839 2.151 -31.710 1.00 0.00 N ATOM 1300 CA GLU A 82 12.812 1.311 -31.104 1.00 0.00 C ATOM 1301 C GLU A 82 11.943 0.655 -32.170 1.00 0.00 C ATOM 1302 O GLU A 82 10.920 1.214 -32.561 1.00 0.00 O ATOM 1303 CB GLU A 82 11.940 2.152 -30.173 1.00 0.00 C ATOM 1304 CG GLU A 82 12.713 2.834 -29.056 1.00 0.00 C ATOM 1305 CD GLU A 82 11.866 3.821 -28.283 1.00 0.00 C ATOM 1306 OE1 GLU A 82 11.073 3.387 -27.422 1.00 0.00 O ATOM 1307 OE2 GLU A 82 11.992 5.040 -28.531 1.00 0.00 O ATOM 0 H GLU A 82 13.588 3.138 -31.773 1.00 0.00 H new ATOM 0 HA GLU A 82 13.306 0.525 -30.533 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.424 2.911 -30.761 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.173 1.514 -29.734 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.099 2.078 -28.372 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.574 3.352 -29.478 1.00 0.00 H new ATOM 1314 N LEU A 83 12.368 -0.529 -32.628 1.00 0.00 N ATOM 1315 CA LEU A 83 11.680 -1.262 -33.698 1.00 0.00 C ATOM 1316 C LEU A 83 11.370 -0.333 -34.870 1.00 0.00 C ATOM 1317 O LEU A 83 12.258 0.017 -35.647 1.00 0.00 O ATOM 1318 CB LEU A 83 10.388 -1.930 -33.190 1.00 0.00 C ATOM 1319 CG LEU A 83 10.575 -3.106 -32.220 1.00 0.00 C ATOM 1320 CD1 LEU A 83 11.001 -2.625 -30.840 1.00 0.00 C ATOM 1321 CD2 LEU A 83 9.294 -3.916 -32.126 1.00 0.00 C ATOM 0 H LEU A 83 13.196 -1.005 -32.269 1.00 0.00 H new ATOM 0 HA LEU A 83 12.351 -2.051 -34.039 1.00 0.00 H new ATOM 0 HB2 LEU A 83 9.780 -1.171 -32.697 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.821 -2.282 -34.052 1.00 0.00 H new ATOM 0 HG LEU A 83 11.370 -3.742 -32.611 1.00 0.00 H new ATOM 0 HD11 LEU A 83 11.125 -3.482 -30.178 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.946 -2.087 -30.918 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.238 -1.961 -30.435 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.439 -4.747 -31.436 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.487 -3.279 -31.764 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.036 -4.304 -33.111 1.00 0.00 H new ATOM 1333 N ARG A 84 10.114 0.074 -34.976 1.00 0.00 N ATOM 1334 CA ARG A 84 9.712 1.084 -35.944 1.00 0.00 C ATOM 1335 C ARG A 84 9.434 2.391 -35.207 1.00 0.00 C ATOM 1336 O ARG A 84 10.068 3.415 -35.468 1.00 0.00 O ATOM 1337 CB ARG A 84 8.461 0.632 -36.707 1.00 0.00 C ATOM 1338 CG ARG A 84 8.056 1.571 -37.835 1.00 0.00 C ATOM 1339 CD ARG A 84 6.762 1.124 -38.497 1.00 0.00 C ATOM 1340 NE ARG A 84 6.454 1.919 -39.683 1.00 0.00 N ATOM 1341 CZ ARG A 84 5.235 2.371 -39.987 1.00 0.00 C ATOM 1342 NH1 ARG A 84 4.203 2.126 -39.185 1.00 0.00 N ATOM 1343 NH2 ARG A 84 5.047 3.074 -41.094 1.00 0.00 N ATOM 0 H ARG A 84 9.351 -0.282 -34.400 1.00 0.00 H new ATOM 0 HA ARG A 84 10.514 1.231 -36.667 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.638 -0.361 -37.120 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.631 0.543 -36.006 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.935 2.581 -37.443 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.851 1.611 -38.579 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.841 0.073 -38.775 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.942 1.205 -37.783 1.00 0.00 H new ATOM 0 HE ARG A 84 7.219 2.143 -40.319 1.00 0.00 H new ATOM 0 HH11 ARG A 84 4.339 1.588 -38.329 1.00 0.00 H new ATOM 0 HH12 ARG A 84 3.276 2.476 -39.426 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.833 3.270 -41.714 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.116 3.420 -41.327 1.00 0.00 H new ATOM 1357 N ARG A 85 8.484 2.324 -34.279 1.00 0.00 N ATOM 1358 CA ARG A 85 8.129 3.446 -33.422 1.00 0.00 C ATOM 1359 C ARG A 85 7.032 2.993 -32.464 1.00 0.00 C ATOM 1360 O ARG A 85 6.382 1.978 -32.712 1.00 0.00 O ATOM 1361 CB ARG A 85 7.655 4.651 -34.254 1.00 0.00 C ATOM 1362 CG ARG A 85 7.284 5.863 -33.415 1.00 0.00 C ATOM 1363 CD ARG A 85 6.871 7.046 -34.271 1.00 0.00 C ATOM 1364 NE ARG A 85 6.332 8.139 -33.460 1.00 0.00 N ATOM 1365 CZ ARG A 85 6.982 9.275 -33.201 1.00 0.00 C ATOM 1366 NH1 ARG A 85 8.208 9.474 -33.674 1.00 0.00 N ATOM 1367 NH2 ARG A 85 6.408 10.212 -32.460 1.00 0.00 N ATOM 0 H ARG A 85 7.936 1.482 -34.101 1.00 0.00 H new ATOM 0 HA ARG A 85 9.007 3.765 -32.860 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.443 4.931 -34.953 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.792 4.354 -34.849 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.468 5.601 -32.742 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.133 6.146 -32.792 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.731 7.403 -34.838 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.122 6.727 -34.996 1.00 0.00 H new ATOM 0 HE ARG A 85 5.398 8.025 -33.067 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.659 8.755 -34.240 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.698 10.345 -33.471 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.470 10.064 -32.088 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.904 11.081 -32.262 1.00 0.00 H new ATOM 1381 N SER A 86 6.828 3.730 -31.378 1.00 0.00 N ATOM 1382 CA SER A 86 5.760 3.428 -30.429 1.00 0.00 C ATOM 1383 C SER A 86 4.400 3.877 -30.978 1.00 0.00 C ATOM 1384 O SER A 86 3.405 3.899 -30.253 1.00 0.00 O ATOM 1385 CB SER A 86 6.042 4.131 -29.099 1.00 0.00 C ATOM 1386 OG SER A 86 7.348 3.834 -28.624 1.00 0.00 O ATOM 0 H SER A 86 7.390 4.545 -31.131 1.00 0.00 H new ATOM 0 HA SER A 86 5.727 2.350 -30.273 1.00 0.00 H new ATOM 0 HB2 SER A 86 5.935 5.208 -29.225 1.00 0.00 H new ATOM 0 HB3 SER A 86 5.304 3.822 -28.358 1.00 0.00 H new ATOM 0 HG SER A 86 7.500 4.298 -27.774 1.00 0.00 H new ATOM 1392 N ASN A 87 4.380 4.224 -32.266 1.00 0.00 N ATOM 1393 CA ASN A 87 3.175 4.699 -32.954 1.00 0.00 C ATOM 1394 C ASN A 87 2.687 6.023 -32.375 1.00 0.00 C ATOM 1395 O ASN A 87 3.106 7.094 -32.817 1.00 0.00 O ATOM 1396 CB ASN A 87 2.051 3.654 -32.906 1.00 0.00 C ATOM 1397 CG ASN A 87 2.409 2.366 -33.623 1.00 0.00 C ATOM 1398 OD1 ASN A 87 3.157 2.369 -34.602 1.00 0.00 O ATOM 1399 ND2 ASN A 87 1.881 1.255 -33.137 1.00 0.00 N ATOM 0 H ASN A 87 5.204 4.184 -32.866 1.00 0.00 H new ATOM 0 HA ASN A 87 3.448 4.861 -33.997 1.00 0.00 H new ATOM 0 HB2 ASN A 87 1.814 3.431 -31.866 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.151 4.075 -33.354 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.089 0.358 -33.575 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.266 1.296 -32.324 1.00 0.00 H new ATOM 1406 N ASP A 88 1.835 5.947 -31.367 1.00 0.00 N ATOM 1407 CA ASP A 88 1.248 7.132 -30.763 1.00 0.00 C ATOM 1408 C ASP A 88 1.524 7.113 -29.263 1.00 0.00 C ATOM 1409 O ASP A 88 2.360 6.337 -28.795 1.00 0.00 O ATOM 1410 CB ASP A 88 -0.257 7.166 -31.039 1.00 0.00 C ATOM 1411 CG ASP A 88 -0.830 8.571 -31.062 1.00 0.00 C ATOM 1412 OD1 ASP A 88 -1.114 9.128 -29.984 1.00 0.00 O ATOM 1413 OD2 ASP A 88 -1.018 9.121 -32.168 1.00 0.00 O ATOM 0 H ASP A 88 1.532 5.069 -30.946 1.00 0.00 H new ATOM 0 HA ASP A 88 1.692 8.029 -31.195 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.455 6.684 -31.997 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.773 6.583 -30.276 1.00 0.00 H new ATOM 1418 N ILE A 89 0.838 7.954 -28.507 1.00 0.00 N ATOM 1419 CA ILE A 89 1.064 8.042 -27.072 1.00 0.00 C ATOM 1420 C ILE A 89 -0.256 8.112 -26.320 1.00 0.00 C ATOM 1421 O ILE A 89 -1.330 8.085 -26.926 1.00 0.00 O ATOM 1422 CB ILE A 89 1.913 9.278 -26.698 1.00 0.00 C ATOM 1423 CG1 ILE A 89 1.279 10.555 -27.263 1.00 0.00 C ATOM 1424 CG2 ILE A 89 3.345 9.116 -27.185 1.00 0.00 C ATOM 1425 CD1 ILE A 89 2.012 11.821 -26.876 1.00 0.00 C ATOM 0 H ILE A 89 0.120 8.586 -28.862 1.00 0.00 H new ATOM 0 HA ILE A 89 1.607 7.141 -26.786 1.00 0.00 H new ATOM 0 HB ILE A 89 1.938 9.364 -25.612 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.246 10.483 -28.350 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.248 10.622 -26.916 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.924 9.998 -26.911 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.788 8.233 -26.725 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.350 9.001 -28.269 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.506 12.682 -27.312 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.023 11.918 -25.790 1.00 0.00 H new ATOM 0 HD13 ILE A 89 3.036 11.776 -27.247 1.00 0.00 H new ATOM 1437 N LEU A 90 -0.167 8.189 -25.000 1.00 0.00 N ATOM 1438 CA LEU A 90 -1.339 8.410 -24.168 1.00 0.00 C ATOM 1439 C LEU A 90 -1.851 9.830 -24.385 1.00 0.00 C ATOM 1440 O LEU A 90 -1.190 10.809 -24.034 1.00 0.00 O ATOM 1441 CB LEU A 90 -1.030 8.164 -22.679 1.00 0.00 C ATOM 1442 CG LEU A 90 0.078 9.026 -22.055 1.00 0.00 C ATOM 1443 CD1 LEU A 90 -0.027 9.006 -20.540 1.00 0.00 C ATOM 1444 CD2 LEU A 90 1.457 8.542 -22.477 1.00 0.00 C ATOM 0 H LEU A 90 0.707 8.101 -24.482 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.111 7.697 -24.458 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.946 8.323 -22.110 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.756 7.116 -22.556 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.055 10.047 -22.414 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.765 9.621 -20.112 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.997 9.401 -20.237 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.076 7.982 -20.182 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.220 9.172 -22.019 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.596 7.511 -22.153 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.545 8.596 -23.562 1.00 0.00 H new ATOM 1456 N ARG A 91 -3.018 9.937 -24.994 1.00 0.00 N ATOM 1457 CA ARG A 91 -3.552 11.229 -25.382 1.00 0.00 C ATOM 1458 C ARG A 91 -4.339 11.866 -24.249 1.00 0.00 C ATOM 1459 O ARG A 91 -5.462 11.456 -23.939 1.00 0.00 O ATOM 1460 CB ARG A 91 -4.420 11.083 -26.627 1.00 0.00 C ATOM 1461 CG ARG A 91 -3.653 10.552 -27.827 1.00 0.00 C ATOM 1462 CD ARG A 91 -4.563 10.350 -29.020 1.00 0.00 C ATOM 1463 NE ARG A 91 -3.838 9.847 -30.181 1.00 0.00 N ATOM 1464 CZ ARG A 91 -4.434 9.389 -31.276 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -5.753 9.237 -31.303 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -3.709 9.042 -32.330 1.00 0.00 N ATOM 0 H ARG A 91 -3.614 9.144 -25.231 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.715 11.889 -25.611 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.250 10.412 -26.408 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.851 12.052 -26.878 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.857 11.249 -28.089 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.177 9.607 -27.567 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.356 9.650 -28.757 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.043 11.295 -29.274 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.818 9.847 -30.150 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.310 9.472 -30.482 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.209 8.885 -32.145 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.693 9.127 -32.300 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.167 8.690 -33.171 1.00 0.00 H new ATOM 1480 N LEU A 92 -3.721 12.854 -23.620 1.00 0.00 N ATOM 1481 CA LEU A 92 -4.366 13.631 -22.575 1.00 0.00 C ATOM 1482 C LEU A 92 -5.290 14.657 -23.218 1.00 0.00 C ATOM 1483 O LEU A 92 -4.865 15.772 -23.532 1.00 0.00 O ATOM 1484 CB LEU A 92 -3.309 14.331 -21.713 1.00 0.00 C ATOM 1485 CG LEU A 92 -2.213 13.413 -21.164 1.00 0.00 C ATOM 1486 CD1 LEU A 92 -1.130 14.228 -20.481 1.00 0.00 C ATOM 1487 CD2 LEU A 92 -2.798 12.392 -20.200 1.00 0.00 C ATOM 0 H LEU A 92 -2.762 13.138 -23.819 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.950 12.971 -21.933 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.841 15.117 -22.305 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.809 14.817 -20.875 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.767 12.876 -22.001 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.359 13.560 -20.097 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.687 14.918 -21.199 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.565 14.792 -19.656 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.002 11.750 -19.822 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.273 12.909 -19.367 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.538 11.784 -20.719 1.00 0.00 H new ATOM 1499 N ALA A 93 -6.544 14.247 -23.434 1.00 0.00 N ATOM 1500 CA ALA A 93 -7.524 15.020 -24.205 1.00 0.00 C ATOM 1501 C ALA A 93 -7.171 14.997 -25.694 1.00 0.00 C ATOM 1502 O ALA A 93 -6.015 14.797 -26.070 1.00 0.00 O ATOM 1503 CB ALA A 93 -7.653 16.453 -23.692 1.00 0.00 C ATOM 0 H ALA A 93 -6.910 13.364 -23.077 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.497 14.547 -24.072 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.389 16.989 -24.291 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.974 16.439 -22.650 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.688 16.955 -23.768 1.00 0.00 H new ATOM 1509 N SER A 94 -8.170 15.179 -26.542 1.00 0.00 N ATOM 1510 CA SER A 94 -7.970 15.092 -27.980 1.00 0.00 C ATOM 1511 C SER A 94 -7.354 16.372 -28.543 1.00 0.00 C ATOM 1512 O SER A 94 -8.071 17.306 -28.909 1.00 0.00 O ATOM 1513 CB SER A 94 -9.294 14.787 -28.677 1.00 0.00 C ATOM 1514 OG SER A 94 -9.845 13.569 -28.200 1.00 0.00 O ATOM 0 H SER A 94 -9.128 15.388 -26.260 1.00 0.00 H new ATOM 0 HA SER A 94 -7.269 14.279 -28.171 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.997 15.602 -28.505 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.137 14.724 -29.754 1.00 0.00 H new ATOM 0 HG SER A 94 -10.693 13.392 -28.658 1.00 0.00 H new ATOM 1520 N ALA A 95 -6.019 16.395 -28.574 1.00 0.00 N ATOM 1521 CA ALA A 95 -5.233 17.484 -29.168 1.00 0.00 C ATOM 1522 C ALA A 95 -5.284 18.774 -28.347 1.00 0.00 C ATOM 1523 O ALA A 95 -4.239 19.325 -27.992 1.00 0.00 O ATOM 1524 CB ALA A 95 -5.662 17.749 -30.603 1.00 0.00 C ATOM 0 H ALA A 95 -5.444 15.649 -28.183 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.196 17.148 -29.165 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.063 18.560 -31.018 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.515 16.848 -31.199 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.715 18.029 -30.622 1.00 0.00 H new ATOM 1530 N TYR A 96 -6.495 19.257 -28.066 1.00 0.00 N ATOM 1531 CA TYR A 96 -6.687 20.511 -27.341 1.00 0.00 C ATOM 1532 C TYR A 96 -5.989 21.645 -28.104 1.00 0.00 C ATOM 1533 O TYR A 96 -5.965 21.649 -29.338 1.00 0.00 O ATOM 1534 CB TYR A 96 -6.132 20.387 -25.910 1.00 0.00 C ATOM 1535 CG TYR A 96 -6.966 21.087 -24.852 1.00 0.00 C ATOM 1536 CD1 TYR A 96 -7.305 22.429 -24.970 1.00 0.00 C ATOM 1537 CD2 TYR A 96 -7.399 20.403 -23.724 1.00 0.00 C ATOM 1538 CE1 TYR A 96 -8.054 23.066 -24.000 1.00 0.00 C ATOM 1539 CE2 TYR A 96 -8.150 21.034 -22.749 1.00 0.00 C ATOM 1540 CZ TYR A 96 -8.473 22.366 -22.891 1.00 0.00 C ATOM 1541 OH TYR A 96 -9.214 23.004 -21.922 1.00 0.00 O ATOM 0 H TYR A 96 -7.363 18.793 -28.333 1.00 0.00 H new ATOM 0 HA TYR A 96 -7.751 20.736 -27.269 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -6.054 19.330 -25.654 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.122 20.796 -25.888 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -6.977 22.984 -25.836 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.145 19.360 -23.606 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -8.310 24.109 -24.111 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.482 20.485 -21.880 1.00 0.00 H new ATOM 0 HH TYR A 96 -9.431 22.371 -21.206 1.00 0.00 H new ATOM 1551 N PHE A 97 -5.413 22.593 -27.386 1.00 0.00 N ATOM 1552 CA PHE A 97 -4.665 23.668 -28.016 1.00 0.00 C ATOM 1553 C PHE A 97 -3.174 23.375 -27.949 1.00 0.00 C ATOM 1554 O PHE A 97 -2.336 24.242 -28.211 1.00 0.00 O ATOM 1555 CB PHE A 97 -4.987 25.015 -27.367 1.00 0.00 C ATOM 1556 CG PHE A 97 -6.347 25.542 -27.741 1.00 0.00 C ATOM 1557 CD1 PHE A 97 -6.513 26.319 -28.878 1.00 0.00 C ATOM 1558 CD2 PHE A 97 -7.457 25.255 -26.963 1.00 0.00 C ATOM 1559 CE1 PHE A 97 -7.761 26.801 -29.231 1.00 0.00 C ATOM 1560 CE2 PHE A 97 -8.707 25.733 -27.311 1.00 0.00 C ATOM 1561 CZ PHE A 97 -8.859 26.507 -28.445 1.00 0.00 C ATOM 0 H PHE A 97 -5.448 22.641 -26.368 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.961 23.728 -29.063 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.929 24.912 -26.283 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.229 25.742 -27.659 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.658 26.551 -29.495 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.345 24.651 -26.075 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -7.877 27.405 -30.119 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.564 25.501 -26.696 1.00 0.00 H new ATOM 0 HZ PHE A 97 -9.835 26.882 -28.717 1.00 0.00 H new ATOM 1571 N ALA A 98 -2.853 22.135 -27.596 1.00 0.00 N ATOM 1572 CA ALA A 98 -1.478 21.668 -27.605 1.00 0.00 C ATOM 1573 C ALA A 98 -1.021 21.446 -29.038 1.00 0.00 C ATOM 1574 O ALA A 98 0.165 21.569 -29.350 1.00 0.00 O ATOM 1575 CB ALA A 98 -1.343 20.390 -26.790 1.00 0.00 C ATOM 0 H ALA A 98 -3.533 21.435 -27.299 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.842 22.426 -27.148 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.306 20.055 -26.808 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.645 20.582 -25.760 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.982 19.617 -27.217 1.00 0.00 H new ATOM 1581 N LYS A 99 -1.974 21.129 -29.907 1.00 0.00 N ATOM 1582 CA LYS A 99 -1.692 20.976 -31.329 1.00 0.00 C ATOM 1583 C LYS A 99 -1.340 22.331 -31.939 1.00 0.00 C ATOM 1584 O LYS A 99 -1.801 23.374 -31.467 1.00 0.00 O ATOM 1585 CB LYS A 99 -2.889 20.363 -32.069 1.00 0.00 C ATOM 1586 CG LYS A 99 -4.147 21.217 -32.029 1.00 0.00 C ATOM 1587 CD LYS A 99 -5.199 20.704 -33.002 1.00 0.00 C ATOM 1588 CE LYS A 99 -6.457 21.558 -32.974 1.00 0.00 C ATOM 1589 NZ LYS A 99 -7.231 21.380 -31.715 1.00 0.00 N ATOM 0 H LYS A 99 -2.949 20.973 -29.651 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.844 20.299 -31.436 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.611 20.193 -33.109 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.111 19.388 -31.635 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.555 21.219 -31.018 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.896 22.249 -32.274 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.788 20.696 -34.011 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.453 19.674 -32.753 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.184 22.607 -33.085 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.087 21.301 -33.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.070 21.994 -31.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.530 20.388 -31.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.634 21.634 -30.902 1.00 0.00 H new ATOM 1603 N ALA A 100 -0.531 22.312 -32.985 1.00 0.00 N ATOM 1604 CA ALA A 100 -0.086 23.539 -33.626 1.00 0.00 C ATOM 1605 C ALA A 100 -1.148 24.066 -34.579 1.00 0.00 C ATOM 1606 O ALA A 100 -1.419 25.267 -34.621 1.00 0.00 O ATOM 1607 CB ALA A 100 1.224 23.307 -34.361 1.00 0.00 C ATOM 0 H ALA A 100 -0.168 21.459 -33.409 1.00 0.00 H new ATOM 0 HA ALA A 100 0.078 24.290 -32.853 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.544 24.235 -34.836 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.985 22.980 -33.653 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.083 22.540 -35.122 1.00 0.00 H new ATOM 1613 N GLU A 101 -1.757 23.164 -35.333 1.00 0.00 N ATOM 1614 CA GLU A 101 -2.783 23.541 -36.292 1.00 0.00 C ATOM 1615 C GLU A 101 -3.740 22.380 -36.530 1.00 0.00 C ATOM 1616 O GLU A 101 -3.561 21.291 -35.982 1.00 0.00 O ATOM 1617 CB GLU A 101 -2.143 23.971 -37.616 1.00 0.00 C ATOM 1618 CG GLU A 101 -1.340 22.871 -38.290 1.00 0.00 C ATOM 1619 CD GLU A 101 -0.664 23.339 -39.559 1.00 0.00 C ATOM 1620 OE1 GLU A 101 -1.292 23.265 -40.636 1.00 0.00 O ATOM 1621 OE2 GLU A 101 0.499 23.784 -39.489 1.00 0.00 O ATOM 0 H GLU A 101 -1.558 22.164 -35.299 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.344 24.381 -35.883 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.926 24.306 -38.296 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.491 24.826 -37.434 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.585 22.500 -37.596 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.999 22.034 -38.521 1.00 0.00 H new ATOM 1628 N PHE A 102 -4.758 22.618 -37.340 1.00 0.00 N ATOM 1629 CA PHE A 102 -5.682 21.566 -37.724 1.00 0.00 C ATOM 1630 C PHE A 102 -5.305 21.058 -39.110 1.00 0.00 C ATOM 1631 O PHE A 102 -5.069 21.856 -40.018 1.00 0.00 O ATOM 1632 CB PHE A 102 -7.121 22.086 -37.711 1.00 0.00 C ATOM 1633 CG PHE A 102 -8.157 20.995 -37.720 1.00 0.00 C ATOM 1634 CD1 PHE A 102 -8.601 20.438 -36.532 1.00 0.00 C ATOM 1635 CD2 PHE A 102 -8.686 20.532 -38.911 1.00 0.00 C ATOM 1636 CE1 PHE A 102 -9.553 19.437 -36.534 1.00 0.00 C ATOM 1637 CE2 PHE A 102 -9.639 19.531 -38.921 1.00 0.00 C ATOM 1638 CZ PHE A 102 -10.073 18.982 -37.731 1.00 0.00 C ATOM 0 H PHE A 102 -4.965 23.531 -37.744 1.00 0.00 H new ATOM 0 HA PHE A 102 -5.618 20.745 -37.009 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -7.266 22.706 -36.826 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -7.274 22.728 -38.579 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.198 20.790 -35.594 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -8.350 20.958 -39.845 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -9.891 19.010 -35.601 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -10.044 19.179 -39.858 1.00 0.00 H new ATOM 0 HZ PHE A 102 -10.817 18.199 -37.735 1.00 0.00 H new ATOM 1648 N ASP A 103 -5.233 19.740 -39.261 1.00 0.00 N ATOM 1649 CA ASP A 103 -4.794 19.119 -40.513 1.00 0.00 C ATOM 1650 C ASP A 103 -5.720 19.470 -41.674 1.00 0.00 C ATOM 1651 O ASP A 103 -6.825 18.932 -41.781 1.00 0.00 O ATOM 1652 CB ASP A 103 -4.713 17.601 -40.342 1.00 0.00 C ATOM 1653 CG ASP A 103 -4.307 16.885 -41.615 1.00 0.00 C ATOM 1654 OD1 ASP A 103 -3.176 17.116 -42.098 1.00 0.00 O ATOM 1655 OD2 ASP A 103 -5.105 16.070 -42.125 1.00 0.00 O ATOM 0 H ASP A 103 -5.474 19.073 -38.528 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.805 19.511 -40.751 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -3.996 17.367 -39.555 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.682 17.225 -40.013 1.00 0.00 H new ATOM 1660 N ARG A 104 -5.266 20.413 -42.510 1.00 0.00 N ATOM 1661 CA ARG A 104 -5.988 20.858 -43.714 1.00 0.00 C ATOM 1662 C ARG A 104 -7.223 21.697 -43.373 1.00 0.00 C ATOM 1663 O ARG A 104 -7.526 22.670 -44.070 1.00 0.00 O ATOM 1664 CB ARG A 104 -6.386 19.667 -44.599 1.00 0.00 C ATOM 1665 CG ARG A 104 -7.127 20.068 -45.865 1.00 0.00 C ATOM 1666 CD ARG A 104 -7.470 18.857 -46.716 1.00 0.00 C ATOM 1667 NE ARG A 104 -6.278 18.194 -47.243 1.00 0.00 N ATOM 1668 CZ ARG A 104 -5.986 16.911 -47.031 1.00 0.00 C ATOM 1669 NH1 ARG A 104 -6.779 16.160 -46.284 1.00 0.00 N ATOM 1670 NH2 ARG A 104 -4.894 16.378 -47.559 1.00 0.00 N ATOM 0 H ARG A 104 -4.378 20.895 -42.370 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.298 21.493 -44.270 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -5.488 19.114 -44.874 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.014 18.989 -44.020 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.041 20.599 -45.600 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.514 20.759 -46.444 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.044 18.148 -46.120 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.107 19.166 -47.544 1.00 0.00 H new ATOM 0 HE ARG A 104 -5.632 18.746 -47.806 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -7.618 16.562 -45.867 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -6.551 15.179 -46.125 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -4.272 16.950 -48.131 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -4.675 15.396 -47.394 1.00 0.00 H new ATOM 1684 N LEU A 105 -7.922 21.307 -42.310 1.00 0.00 N ATOM 1685 CA LEU A 105 -9.154 21.957 -41.873 1.00 0.00 C ATOM 1686 C LEU A 105 -10.303 21.580 -42.799 1.00 0.00 C ATOM 1687 O LEU A 105 -11.095 20.700 -42.464 1.00 0.00 O ATOM 1688 CB LEU A 105 -9.008 23.484 -41.778 1.00 0.00 C ATOM 1689 CG LEU A 105 -10.249 24.225 -41.272 1.00 0.00 C ATOM 1690 CD1 LEU A 105 -10.579 23.821 -39.840 1.00 0.00 C ATOM 1691 CD2 LEU A 105 -10.045 25.729 -41.380 1.00 0.00 C ATOM 0 H LEU A 105 -7.645 20.521 -41.721 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.374 21.599 -40.867 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.172 23.713 -41.117 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.750 23.871 -42.764 1.00 0.00 H new ATOM 0 HG LEU A 105 -11.096 23.946 -41.898 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -11.464 24.361 -39.504 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.771 22.749 -39.800 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.738 24.064 -39.191 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -10.935 26.244 -41.017 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -9.185 26.024 -40.779 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.869 25.998 -42.421 1.00 0.00 H new ATOM 1703 N TRP A 106 -10.365 22.222 -43.972 1.00 0.00 N ATOM 1704 CA TRP A 106 -11.430 21.972 -44.948 1.00 0.00 C ATOM 1705 C TRP A 106 -12.792 21.993 -44.253 1.00 0.00 C ATOM 1706 O TRP A 106 -13.461 20.968 -44.118 1.00 0.00 O ATOM 1707 CB TRP A 106 -11.196 20.630 -45.661 1.00 0.00 C ATOM 1708 CG TRP A 106 -12.065 20.413 -46.864 1.00 0.00 C ATOM 1709 CD1 TRP A 106 -13.206 19.663 -46.931 1.00 0.00 C ATOM 1710 CD2 TRP A 106 -11.858 20.944 -48.177 1.00 0.00 C ATOM 1711 NE1 TRP A 106 -13.718 19.695 -48.204 1.00 0.00 N ATOM 1712 CE2 TRP A 106 -12.910 20.476 -48.987 1.00 0.00 C ATOM 1713 CE3 TRP A 106 -10.885 21.768 -48.747 1.00 0.00 C ATOM 1714 CZ2 TRP A 106 -13.013 20.803 -50.335 1.00 0.00 C ATOM 1715 CZ3 TRP A 106 -10.991 22.095 -50.086 1.00 0.00 C ATOM 1716 CH2 TRP A 106 -12.049 21.615 -50.867 1.00 0.00 C ATOM 0 H TRP A 106 -9.685 22.922 -44.268 1.00 0.00 H new ATOM 0 HA TRP A 106 -11.416 22.761 -45.700 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -10.151 20.571 -45.966 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -11.367 19.820 -44.952 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -13.641 19.124 -46.103 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -14.562 19.215 -48.516 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -10.065 22.143 -48.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -13.825 20.429 -50.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -10.245 22.732 -50.537 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -12.105 21.891 -51.910 1.00 0.00 H new ATOM 1727 N LYS A 107 -13.179 23.169 -43.785 1.00 0.00 N ATOM 1728 CA LYS A 107 -14.359 23.304 -42.945 1.00 0.00 C ATOM 1729 C LYS A 107 -15.505 23.956 -43.711 1.00 0.00 C ATOM 1730 O LYS A 107 -16.677 23.673 -43.460 1.00 0.00 O ATOM 1731 CB LYS A 107 -14.008 24.126 -41.704 1.00 0.00 C ATOM 1732 CG LYS A 107 -15.110 24.183 -40.663 1.00 0.00 C ATOM 1733 CD LYS A 107 -14.682 24.982 -39.446 1.00 0.00 C ATOM 1734 CE LYS A 107 -15.793 25.068 -38.418 1.00 0.00 C ATOM 1735 NZ LYS A 107 -16.991 25.773 -38.949 1.00 0.00 N ATOM 0 H LYS A 107 -12.692 24.045 -43.973 1.00 0.00 H new ATOM 0 HA LYS A 107 -14.688 22.311 -42.639 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -13.112 23.707 -41.246 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -13.762 25.142 -42.013 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -16.002 24.632 -41.100 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -15.379 23.171 -40.360 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -13.804 24.519 -38.996 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -14.391 25.986 -39.753 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -16.074 24.063 -38.103 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -15.428 25.589 -37.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -17.617 26.035 -38.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -16.693 26.632 -39.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -17.501 25.146 -39.603 1.00 0.00 H new ATOM 1749 N LYS A 108 -15.164 24.830 -44.644 1.00 0.00 N ATOM 1750 CA LYS A 108 -16.168 25.526 -45.430 1.00 0.00 C ATOM 1751 C LYS A 108 -16.186 24.991 -46.856 1.00 0.00 C ATOM 1752 O LYS A 108 -17.119 24.236 -47.197 1.00 0.00 O ATOM 1753 CB LYS A 108 -15.907 27.037 -45.421 1.00 0.00 C ATOM 1754 CG LYS A 108 -16.963 27.842 -46.161 1.00 0.00 C ATOM 1755 CD LYS A 108 -18.346 27.606 -45.576 1.00 0.00 C ATOM 1756 CE LYS A 108 -19.430 28.274 -46.403 1.00 0.00 C ATOM 1757 NZ LYS A 108 -19.294 29.753 -46.416 1.00 0.00 N ATOM 1758 OXT LYS A 108 -15.254 25.306 -47.626 1.00 0.00 O ATOM 0 H LYS A 108 -14.201 25.074 -44.875 1.00 0.00 H new ATOM 0 HA LYS A 108 -17.146 25.348 -44.982 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.857 27.382 -44.388 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -14.933 27.232 -45.870 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -16.719 28.903 -46.107 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -16.960 27.567 -47.216 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -18.539 26.535 -45.521 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -18.379 27.989 -44.556 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -19.388 27.898 -47.425 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -20.408 28.004 -46.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -20.093 30.170 -46.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -19.292 30.110 -45.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -18.402 30.016 -46.883 1.00 0.00 H new TER 1772 LYS A 108