USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 470 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 39 SER OG : rot 180:sc= 0.219 USER MOD Set 1.2: A 40 GLN : amide:sc= -2.68 X(o=-2.5,f=-2.6) USER MOD Set 2.1: A 26 GLN : amide:sc= -4.64! C(o=-8.2!,f=-6.1!) USER MOD Set 2.2: A 55 GLN : amide:sc= -3.57! C(o=-8.2!,f=-6.1!) USER MOD Set 3.1: A 21 ASN : amide:sc= -1.31! C(o=-2.5!,f=-3.6!) USER MOD Set 3.2: A 52 ASN : amide:sc= -1.21! K(o=-2.5!,f=-0.072) USER MOD Single : A 1 VAL N :NH3+ 173:sc= -0.753 (180deg=-0.812) USER MOD Single : A 3 ASN : amide:sc= 0.0159 K(o=0.016,f=-1) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc=-0.00216 X(o=-0.0022,f=-0.26) USER MOD Single : A 7 LYS NZ :NH3+ -158:sc= -0.119 (180deg=-0.682) USER MOD Single : A 9 MET CE :methyl -170:sc= -0.459 (180deg=-0.615) USER MOD Single : A 11 ASN : amide:sc= 0.664 K(o=0.66,f=-0.26) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.018) USER MOD Single : A 24 ASN : amide:sc= 0.0449 K(o=0.045,f=-1.1) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= 1.9 (180deg=-2.33) USER MOD Single : A 33 SER OG : rot 82:sc= 1.1 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 105:sc= 0.884 USER MOD Single : A 43 ASN : amide:sc= -0.0022 K(o=-0.0022,f=-1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 136:sc= 0.76 (180deg=-0.05) USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= -0.0677 (180deg=-0.483) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.611 -4.440 -19.534 1.00 0.00 N ATOM 2 CA VAL A 1 3.447 -5.163 -18.528 1.00 0.00 C ATOM 3 C VAL A 1 3.013 -6.629 -18.467 1.00 0.00 C ATOM 4 O VAL A 1 1.856 -6.954 -18.752 1.00 0.00 O ATOM 5 CB VAL A 1 3.295 -4.503 -17.144 1.00 0.00 C ATOM 6 CG1 VAL A 1 3.853 -3.072 -17.182 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.812 -4.462 -16.732 1.00 0.00 C ATOM 0 H1 VAL A 1 2.821 -3.422 -19.493 1.00 0.00 H new ATOM 0 H2 VAL A 1 2.825 -4.800 -20.486 1.00 0.00 H new ATOM 0 H3 VAL A 1 1.604 -4.594 -19.324 1.00 0.00 H new ATOM 0 HA VAL A 1 4.495 -5.112 -18.823 1.00 0.00 H new ATOM 0 HB VAL A 1 3.852 -5.092 -16.415 1.00 0.00 H new ATOM 0 HG11 VAL A 1 3.742 -2.612 -16.200 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.909 -3.100 -17.452 1.00 0.00 H new ATOM 0 HG13 VAL A 1 3.305 -2.487 -17.921 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.719 -3.993 -15.752 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.247 -3.886 -17.465 1.00 0.00 H new ATOM 0 HG23 VAL A 1 1.419 -5.478 -16.687 1.00 0.00 H new ATOM 17 N ASP A 2 3.953 -7.507 -18.103 1.00 0.00 N ATOM 18 CA ASP A 2 3.677 -8.942 -18.012 1.00 0.00 C ATOM 19 C ASP A 2 2.980 -9.302 -16.687 1.00 0.00 C ATOM 20 O ASP A 2 2.600 -8.421 -15.909 1.00 0.00 O ATOM 21 CB ASP A 2 4.990 -9.741 -18.182 1.00 0.00 C ATOM 22 CG ASP A 2 5.954 -9.520 -17.005 1.00 0.00 C ATOM 23 OD1 ASP A 2 6.203 -8.375 -16.658 1.00 0.00 O ATOM 24 OD2 ASP A 2 6.441 -10.507 -16.479 1.00 0.00 O ATOM 0 H ASP A 2 4.911 -7.248 -17.867 1.00 0.00 H new ATOM 0 HA ASP A 2 2.993 -9.211 -18.817 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.760 -10.803 -18.268 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.477 -9.444 -19.111 1.00 0.00 H new ATOM 29 N ASN A 3 2.814 -10.609 -16.461 1.00 0.00 N ATOM 30 CA ASN A 3 2.158 -11.134 -15.255 1.00 0.00 C ATOM 31 C ASN A 3 2.852 -10.673 -13.964 1.00 0.00 C ATOM 32 O ASN A 3 2.259 -10.753 -12.886 1.00 0.00 O ATOM 33 CB ASN A 3 2.144 -12.668 -15.303 1.00 0.00 C ATOM 34 CG ASN A 3 1.348 -13.154 -16.513 1.00 0.00 C ATOM 35 OD1 ASN A 3 1.863 -13.167 -17.631 1.00 0.00 O ATOM 36 ND2 ASN A 3 0.117 -13.557 -16.357 1.00 0.00 N ATOM 0 H ASN A 3 3.129 -11.333 -17.106 1.00 0.00 H new ATOM 0 HA ASN A 3 1.141 -10.742 -15.242 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.165 -13.046 -15.355 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.704 -13.063 -14.387 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -0.419 -13.883 -17.161 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -0.310 -13.546 -15.431 1.00 0.00 H new ATOM 43 N LYS A 4 4.112 -10.222 -14.075 1.00 0.00 N ATOM 44 CA LYS A 4 4.900 -9.778 -12.908 1.00 0.00 C ATOM 45 C LYS A 4 4.134 -8.772 -12.030 1.00 0.00 C ATOM 46 O LYS A 4 4.205 -8.844 -10.797 1.00 0.00 O ATOM 47 CB LYS A 4 6.206 -9.125 -13.393 1.00 0.00 C ATOM 48 CG LYS A 4 7.129 -8.829 -12.195 1.00 0.00 C ATOM 49 CD LYS A 4 8.438 -8.178 -12.680 1.00 0.00 C ATOM 50 CE LYS A 4 8.194 -6.710 -13.063 1.00 0.00 C ATOM 51 NZ LYS A 4 9.490 -6.075 -13.435 1.00 0.00 N ATOM 0 H LYS A 4 4.610 -10.154 -14.963 1.00 0.00 H new ATOM 0 HA LYS A 4 5.107 -10.659 -12.301 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.712 -9.786 -14.097 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.983 -8.201 -13.927 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.624 -8.167 -11.492 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.350 -9.753 -11.660 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.193 -8.236 -11.896 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.828 -8.725 -13.539 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.495 -6.651 -13.897 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.740 -6.175 -12.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.328 -5.081 -13.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.143 -6.119 -12.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.905 -6.581 -14.243 1.00 0.00 H new ATOM 65 N PHE A 5 3.421 -7.842 -12.670 1.00 0.00 N ATOM 66 CA PHE A 5 2.661 -6.823 -11.937 1.00 0.00 C ATOM 67 C PHE A 5 1.610 -7.465 -11.025 1.00 0.00 C ATOM 68 O PHE A 5 1.666 -7.313 -9.801 1.00 0.00 O ATOM 69 CB PHE A 5 1.977 -5.859 -12.928 1.00 0.00 C ATOM 70 CG PHE A 5 2.761 -4.562 -13.011 1.00 0.00 C ATOM 71 CD1 PHE A 5 4.061 -4.563 -13.533 1.00 0.00 C ATOM 72 CD2 PHE A 5 2.190 -3.364 -12.558 1.00 0.00 C ATOM 73 CE1 PHE A 5 4.788 -3.368 -13.605 1.00 0.00 C ATOM 74 CE2 PHE A 5 2.917 -2.170 -12.630 1.00 0.00 C ATOM 75 CZ PHE A 5 4.216 -2.172 -13.153 1.00 0.00 C ATOM 0 H PHE A 5 3.353 -7.772 -13.685 1.00 0.00 H new ATOM 0 HA PHE A 5 3.359 -6.265 -11.313 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.915 -6.320 -13.914 1.00 0.00 H new ATOM 0 HB3 PHE A 5 0.956 -5.657 -12.606 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.503 -5.485 -13.880 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.189 -3.363 -12.153 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.790 -3.369 -14.009 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.476 -1.247 -12.282 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.777 -1.251 -13.208 1.00 0.00 H new ATOM 85 N ASN A 6 0.650 -8.167 -11.632 1.00 0.00 N ATOM 86 CA ASN A 6 -0.425 -8.818 -10.876 1.00 0.00 C ATOM 87 C ASN A 6 0.123 -9.861 -9.896 1.00 0.00 C ATOM 88 O ASN A 6 -0.403 -10.019 -8.794 1.00 0.00 O ATOM 89 CB ASN A 6 -1.408 -9.495 -11.844 1.00 0.00 C ATOM 90 CG ASN A 6 -2.045 -8.463 -12.780 1.00 0.00 C ATOM 91 OD1 ASN A 6 -2.463 -7.392 -12.340 1.00 0.00 O ATOM 92 ND2 ASN A 6 -2.146 -8.727 -14.054 1.00 0.00 N ATOM 0 H ASN A 6 0.594 -8.300 -12.642 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.938 -8.047 -10.300 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.886 -10.251 -12.430 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.185 -10.010 -11.279 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.571 -8.046 -14.684 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.800 -9.614 -14.420 1.00 0.00 H new ATOM 99 N LYS A 7 1.165 -10.579 -10.319 1.00 0.00 N ATOM 100 CA LYS A 7 1.772 -11.628 -9.494 1.00 0.00 C ATOM 101 C LYS A 7 2.324 -11.074 -8.173 1.00 0.00 C ATOM 102 O LYS A 7 2.049 -11.628 -7.102 1.00 0.00 O ATOM 103 CB LYS A 7 2.907 -12.294 -10.291 1.00 0.00 C ATOM 104 CG LYS A 7 3.428 -13.544 -9.561 1.00 0.00 C ATOM 105 CD LYS A 7 2.443 -14.711 -9.746 1.00 0.00 C ATOM 106 CE LYS A 7 3.076 -16.012 -9.242 1.00 0.00 C ATOM 107 NZ LYS A 7 2.026 -17.064 -9.126 1.00 0.00 N ATOM 0 H LYS A 7 1.608 -10.454 -11.229 1.00 0.00 H new ATOM 0 HA LYS A 7 0.999 -12.356 -9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.548 -12.570 -11.282 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.722 -11.585 -10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.408 -13.820 -9.950 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.555 -13.329 -8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.521 -14.510 -9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.176 -14.810 -10.798 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.858 -16.338 -9.928 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.549 -15.847 -8.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.342 -17.798 -8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.144 -16.637 -8.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.859 -17.492 -10.059 1.00 0.00 H new ATOM 121 N GLU A 8 3.124 -10.003 -8.262 1.00 0.00 N ATOM 122 CA GLU A 8 3.748 -9.395 -7.075 1.00 0.00 C ATOM 123 C GLU A 8 2.739 -8.665 -6.178 1.00 0.00 C ATOM 124 O GLU A 8 2.859 -8.705 -4.950 1.00 0.00 O ATOM 125 CB GLU A 8 4.849 -8.416 -7.517 1.00 0.00 C ATOM 126 CG GLU A 8 5.660 -7.941 -6.296 1.00 0.00 C ATOM 127 CD GLU A 8 6.406 -9.112 -5.638 1.00 0.00 C ATOM 128 OE1 GLU A 8 7.041 -9.876 -6.353 1.00 0.00 O ATOM 129 OE2 GLU A 8 6.327 -9.233 -4.425 1.00 0.00 O ATOM 0 H GLU A 8 3.355 -9.539 -9.141 1.00 0.00 H new ATOM 0 HA GLU A 8 4.172 -10.207 -6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.510 -8.901 -8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.403 -7.559 -8.022 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.375 -7.178 -6.605 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.992 -7.477 -5.570 1.00 0.00 H new ATOM 136 N MET A 9 1.765 -7.984 -6.794 1.00 0.00 N ATOM 137 CA MET A 9 0.751 -7.221 -6.042 1.00 0.00 C ATOM 138 C MET A 9 0.045 -8.086 -4.992 1.00 0.00 C ATOM 139 O MET A 9 -0.451 -7.560 -3.992 1.00 0.00 O ATOM 140 CB MET A 9 -0.284 -6.620 -7.011 1.00 0.00 C ATOM 141 CG MET A 9 0.083 -5.166 -7.344 1.00 0.00 C ATOM 142 SD MET A 9 1.830 -5.063 -7.825 1.00 0.00 S ATOM 143 CE MET A 9 1.604 -4.232 -9.417 1.00 0.00 C ATOM 0 H MET A 9 1.654 -7.943 -7.807 1.00 0.00 H new ATOM 0 HA MET A 9 1.268 -6.419 -5.515 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.323 -7.212 -7.926 1.00 0.00 H new ATOM 0 HB3 MET A 9 -1.277 -6.659 -6.564 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.548 -4.799 -8.153 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.103 -4.528 -6.480 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.547 -4.231 -9.964 1.00 0.00 H new ATOM 0 HE2 MET A 9 0.848 -4.759 -9.999 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.281 -3.205 -9.249 1.00 0.00 H new ATOM 153 N ARG A 10 0.003 -9.404 -5.217 1.00 0.00 N ATOM 154 CA ARG A 10 -0.644 -10.330 -4.271 1.00 0.00 C ATOM 155 C ARG A 10 -0.023 -10.207 -2.872 1.00 0.00 C ATOM 156 O ARG A 10 -0.700 -10.427 -1.864 1.00 0.00 O ATOM 157 CB ARG A 10 -0.494 -11.779 -4.758 1.00 0.00 C ATOM 158 CG ARG A 10 -1.237 -11.974 -6.091 1.00 0.00 C ATOM 159 CD ARG A 10 -1.193 -13.452 -6.500 1.00 0.00 C ATOM 160 NE ARG A 10 0.196 -13.915 -6.585 1.00 0.00 N ATOM 161 CZ ARG A 10 0.519 -15.210 -6.507 1.00 0.00 C ATOM 162 NH1 ARG A 10 -0.405 -16.126 -6.398 1.00 0.00 N ATOM 163 NH2 ARG A 10 1.770 -15.564 -6.551 1.00 0.00 N ATOM 0 H ARG A 10 0.405 -9.854 -6.039 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.700 -10.066 -4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.562 -12.020 -4.884 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.891 -12.464 -4.009 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.272 -11.645 -5.993 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.780 -11.359 -6.866 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.740 -14.054 -5.774 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.687 -13.585 -7.462 1.00 0.00 H new ATOM 0 HE ARG A 10 0.939 -13.227 -6.708 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.389 -15.858 -6.371 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.143 -17.110 -6.340 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.498 -14.855 -6.644 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.023 -16.550 -6.492 1.00 0.00 H new ATOM 177 N ASN A 11 1.270 -9.866 -2.833 1.00 0.00 N ATOM 178 CA ASN A 11 1.998 -9.723 -1.568 1.00 0.00 C ATOM 179 C ASN A 11 1.772 -8.344 -0.929 1.00 0.00 C ATOM 180 O ASN A 11 2.249 -8.096 0.183 1.00 0.00 O ATOM 181 CB ASN A 11 3.505 -9.927 -1.817 1.00 0.00 C ATOM 182 CG ASN A 11 3.776 -11.311 -2.415 1.00 0.00 C ATOM 183 OD1 ASN A 11 3.197 -12.308 -1.979 1.00 0.00 O ATOM 184 ND2 ASN A 11 4.633 -11.431 -3.392 1.00 0.00 N ATOM 0 H ASN A 11 1.834 -9.684 -3.663 1.00 0.00 H new ATOM 0 HA ASN A 11 1.619 -10.479 -0.880 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.874 -9.155 -2.493 1.00 0.00 H new ATOM 0 HB3 ASN A 11 4.051 -9.818 -0.880 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.823 -12.349 -3.794 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.113 -10.607 -3.754 1.00 0.00 H new ATOM 191 N ALA A 12 1.051 -7.452 -1.627 1.00 0.00 N ATOM 192 CA ALA A 12 0.786 -6.104 -1.104 1.00 0.00 C ATOM 193 C ALA A 12 -0.149 -5.320 -2.034 1.00 0.00 C ATOM 194 O ALA A 12 0.252 -4.932 -3.137 1.00 0.00 O ATOM 195 CB ALA A 12 2.111 -5.337 -0.960 1.00 0.00 C ATOM 0 H ALA A 12 0.646 -7.637 -2.544 1.00 0.00 H new ATOM 0 HA ALA A 12 0.302 -6.208 -0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.913 -4.338 -0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.767 -5.870 -0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.594 -5.259 -1.934 1.00 0.00 H new ATOM 201 N TYR A 13 -1.386 -5.076 -1.577 1.00 0.00 N ATOM 202 CA TYR A 13 -2.360 -4.318 -2.374 1.00 0.00 C ATOM 203 C TYR A 13 -3.579 -3.910 -1.524 1.00 0.00 C ATOM 204 O TYR A 13 -3.590 -2.825 -0.936 1.00 0.00 O ATOM 205 CB TYR A 13 -2.796 -5.142 -3.604 1.00 0.00 C ATOM 206 CG TYR A 13 -3.694 -4.302 -4.497 1.00 0.00 C ATOM 207 CD1 TYR A 13 -3.130 -3.362 -5.371 1.00 0.00 C ATOM 208 CD2 TYR A 13 -5.088 -4.464 -4.453 1.00 0.00 C ATOM 209 CE1 TYR A 13 -3.954 -2.589 -6.197 1.00 0.00 C ATOM 210 CE2 TYR A 13 -5.910 -3.689 -5.280 1.00 0.00 C ATOM 211 CZ TYR A 13 -5.343 -2.751 -6.152 1.00 0.00 C ATOM 212 OH TYR A 13 -6.155 -1.988 -6.966 1.00 0.00 O ATOM 0 H TYR A 13 -1.732 -5.389 -0.670 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.881 -3.402 -2.721 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.919 -5.471 -4.162 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.325 -6.039 -3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.058 -3.234 -5.407 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.526 -5.187 -3.781 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.517 -1.866 -6.870 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.982 -3.815 -5.246 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.092 -2.227 -6.810 1.00 0.00 H new ATOM 222 N TRP A 14 -4.601 -4.776 -1.480 1.00 0.00 N ATOM 223 CA TRP A 14 -5.830 -4.498 -0.724 1.00 0.00 C ATOM 224 C TRP A 14 -5.554 -4.272 0.765 1.00 0.00 C ATOM 225 O TRP A 14 -6.322 -3.576 1.438 1.00 0.00 O ATOM 226 CB TRP A 14 -6.829 -5.654 -0.895 1.00 0.00 C ATOM 227 CG TRP A 14 -6.206 -6.943 -0.445 1.00 0.00 C ATOM 228 CD1 TRP A 14 -6.086 -7.344 0.843 1.00 0.00 C ATOM 229 CD2 TRP A 14 -5.631 -8.010 -1.258 1.00 0.00 C ATOM 230 NE1 TRP A 14 -5.459 -8.576 0.871 1.00 0.00 N ATOM 231 CE2 TRP A 14 -5.162 -9.029 -0.398 1.00 0.00 C ATOM 232 CE3 TRP A 14 -5.467 -8.186 -2.645 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -4.554 -10.184 -0.893 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -4.856 -9.347 -3.148 1.00 0.00 C ATOM 235 CH2 TRP A 14 -4.400 -10.343 -2.274 1.00 0.00 C ATOM 0 H TRP A 14 -4.601 -5.676 -1.960 1.00 0.00 H new ATOM 0 HA TRP A 14 -6.255 -3.578 -1.126 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -7.731 -5.455 -0.316 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.132 -5.732 -1.939 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.425 -6.792 1.707 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.242 -9.088 1.726 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -5.813 -7.424 -3.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.205 -10.949 -0.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -4.737 -9.472 -4.214 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.930 -11.233 -2.666 1.00 0.00 H new ATOM 246 N GLU A 15 -4.470 -4.865 1.276 1.00 0.00 N ATOM 247 CA GLU A 15 -4.116 -4.725 2.691 1.00 0.00 C ATOM 248 C GLU A 15 -3.929 -3.254 3.072 1.00 0.00 C ATOM 249 O GLU A 15 -4.251 -2.857 4.194 1.00 0.00 O ATOM 250 CB GLU A 15 -2.825 -5.499 3.006 1.00 0.00 C ATOM 251 CG GLU A 15 -3.051 -7.021 2.825 1.00 0.00 C ATOM 252 CD GLU A 15 -2.713 -7.513 1.401 1.00 0.00 C ATOM 253 OE1 GLU A 15 -2.538 -6.695 0.505 1.00 0.00 O ATOM 254 OE2 GLU A 15 -2.623 -8.718 1.231 1.00 0.00 O ATOM 0 H GLU A 15 -3.827 -5.443 0.735 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.938 -5.138 3.275 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.023 -5.163 2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.509 -5.291 4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.439 -7.562 3.546 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.091 -7.258 3.049 1.00 0.00 H new ATOM 261 N ILE A 16 -3.410 -2.454 2.136 1.00 0.00 N ATOM 262 CA ILE A 16 -3.191 -1.026 2.387 1.00 0.00 C ATOM 263 C ILE A 16 -4.532 -0.297 2.515 1.00 0.00 C ATOM 264 O ILE A 16 -4.729 0.506 3.431 1.00 0.00 O ATOM 265 CB ILE A 16 -2.363 -0.405 1.242 1.00 0.00 C ATOM 266 CG1 ILE A 16 -1.003 -1.125 1.142 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.134 1.095 1.505 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.232 -0.629 -0.087 1.00 0.00 C ATOM 0 H ILE A 16 -3.136 -2.767 1.205 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.641 -0.918 3.322 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.909 -0.521 0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.419 -0.943 2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.157 -2.202 1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.549 1.522 0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.096 1.605 1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.595 1.222 2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.727 -1.144 -0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.812 -0.834 -0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.062 0.444 -0.001 1.00 0.00 H new ATOM 280 N ALA A 17 -5.441 -0.582 1.580 1.00 0.00 N ATOM 281 CA ALA A 17 -6.763 0.047 1.570 1.00 0.00 C ATOM 282 C ALA A 17 -7.570 -0.331 2.817 1.00 0.00 C ATOM 283 O ALA A 17 -8.419 0.444 3.267 1.00 0.00 O ATOM 284 CB ALA A 17 -7.530 -0.381 0.314 1.00 0.00 C ATOM 0 H ALA A 17 -5.286 -1.244 0.820 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.623 1.128 1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.513 0.089 0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.977 -0.072 -0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.646 -1.465 0.310 1.00 0.00 H new ATOM 290 N LEU A 18 -7.311 -1.530 3.351 1.00 0.00 N ATOM 291 CA LEU A 18 -8.026 -2.024 4.534 1.00 0.00 C ATOM 292 C LEU A 18 -7.870 -1.071 5.725 1.00 0.00 C ATOM 293 O LEU A 18 -8.822 -0.864 6.482 1.00 0.00 O ATOM 294 CB LEU A 18 -7.502 -3.421 4.910 1.00 0.00 C ATOM 295 CG LEU A 18 -8.339 -4.026 6.056 1.00 0.00 C ATOM 296 CD1 LEU A 18 -9.753 -4.366 5.558 1.00 0.00 C ATOM 297 CD2 LEU A 18 -7.657 -5.307 6.564 1.00 0.00 C ATOM 0 H LEU A 18 -6.612 -2.176 2.983 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.086 -2.081 4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.541 -4.076 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.457 -3.354 5.212 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.412 -3.299 6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.334 -4.792 6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.241 -3.459 5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.688 -5.088 4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.247 -5.736 7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.582 -6.027 5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.659 -5.067 6.930 1.00 0.00 H new ATOM 309 N LEU A 19 -6.670 -0.499 5.889 1.00 0.00 N ATOM 310 CA LEU A 19 -6.412 0.423 7.001 1.00 0.00 C ATOM 311 C LEU A 19 -7.288 1.675 6.857 1.00 0.00 C ATOM 312 O LEU A 19 -7.198 2.376 5.848 1.00 0.00 O ATOM 313 CB LEU A 19 -4.926 0.813 7.007 1.00 0.00 C ATOM 314 CG LEU A 19 -4.082 -0.173 7.858 1.00 0.00 C ATOM 315 CD1 LEU A 19 -4.589 -1.623 7.721 1.00 0.00 C ATOM 316 CD2 LEU A 19 -2.615 -0.112 7.403 1.00 0.00 C ATOM 0 H LEU A 19 -5.872 -0.656 5.274 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.657 -0.067 7.943 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.549 0.828 5.985 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.815 1.823 7.402 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.174 0.124 8.903 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.973 -2.283 8.331 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.624 -1.680 8.057 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.529 -1.932 6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.020 -0.804 7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.548 -0.390 6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.235 0.901 7.536 1.00 0.00 H new ATOM 328 N PRO A 20 -8.146 1.948 7.832 1.00 0.00 N ATOM 329 CA PRO A 20 -9.089 3.115 7.808 1.00 0.00 C ATOM 330 C PRO A 20 -8.547 4.436 8.381 1.00 0.00 C ATOM 331 O PRO A 20 -9.041 5.505 8.012 1.00 0.00 O ATOM 332 CB PRO A 20 -10.225 2.603 8.691 1.00 0.00 C ATOM 333 CG PRO A 20 -9.529 1.820 9.754 1.00 0.00 C ATOM 334 CD PRO A 20 -8.325 1.165 9.078 1.00 0.00 C ATOM 0 HA PRO A 20 -9.340 3.385 6.782 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.803 3.424 9.114 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.920 1.981 8.127 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.212 2.468 10.571 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.192 1.068 10.182 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.438 1.211 9.710 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.510 0.112 8.865 1.00 0.00 H new ATOM 342 N ASN A 21 -7.588 4.365 9.314 1.00 0.00 N ATOM 343 CA ASN A 21 -7.071 5.578 9.968 1.00 0.00 C ATOM 344 C ASN A 21 -6.012 6.319 9.146 1.00 0.00 C ATOM 345 O ASN A 21 -5.551 7.385 9.567 1.00 0.00 O ATOM 346 CB ASN A 21 -6.521 5.218 11.358 1.00 0.00 C ATOM 347 CG ASN A 21 -5.412 4.174 11.262 1.00 0.00 C ATOM 348 OD1 ASN A 21 -5.063 3.716 10.171 1.00 0.00 O ATOM 349 ND2 ASN A 21 -4.845 3.756 12.355 1.00 0.00 N ATOM 0 H ASN A 21 -7.159 3.495 9.630 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.909 6.268 10.060 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.138 6.115 11.843 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.328 4.838 11.984 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.111 3.049 12.311 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.134 4.135 13.257 1.00 0.00 H new ATOM 356 N LEU A 22 -5.648 5.792 7.972 1.00 0.00 N ATOM 357 CA LEU A 22 -4.664 6.482 7.129 1.00 0.00 C ATOM 358 C LEU A 22 -5.316 7.706 6.499 1.00 0.00 C ATOM 359 O LEU A 22 -6.458 7.632 6.033 1.00 0.00 O ATOM 360 CB LEU A 22 -4.137 5.592 5.991 1.00 0.00 C ATOM 361 CG LEU A 22 -3.517 4.293 6.517 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.615 3.214 5.430 1.00 0.00 C ATOM 363 CD2 LEU A 22 -2.036 4.522 6.842 1.00 0.00 C ATOM 0 H LEU A 22 -6.007 4.916 7.591 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.826 6.754 7.771 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.954 5.354 5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.392 6.142 5.416 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.049 3.979 7.415 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.176 2.287 5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.662 3.045 5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.077 3.543 4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.598 3.596 7.216 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.510 4.834 5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.946 5.299 7.602 1.00 0.00 H new ATOM 375 N ASN A 23 -4.581 8.825 6.473 1.00 0.00 N ATOM 376 CA ASN A 23 -5.092 10.072 5.874 1.00 0.00 C ATOM 377 C ASN A 23 -5.479 9.845 4.403 1.00 0.00 C ATOM 378 O ASN A 23 -4.825 9.075 3.698 1.00 0.00 O ATOM 379 CB ASN A 23 -4.034 11.178 5.967 1.00 0.00 C ATOM 380 CG ASN A 23 -4.654 12.526 5.614 1.00 0.00 C ATOM 381 OD1 ASN A 23 -5.561 12.994 6.301 1.00 0.00 O ATOM 382 ND2 ASN A 23 -4.216 13.184 4.576 1.00 0.00 N ATOM 0 H ASN A 23 -3.638 8.896 6.855 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.979 10.379 6.428 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.620 11.212 6.975 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.208 10.960 5.290 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.626 14.086 4.334 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.464 12.796 4.006 1.00 0.00 H new ATOM 389 N ASN A 24 -6.568 10.496 3.964 1.00 0.00 N ATOM 390 CA ASN A 24 -7.087 10.343 2.588 1.00 0.00 C ATOM 391 C ASN A 24 -5.994 10.477 1.516 1.00 0.00 C ATOM 392 O ASN A 24 -5.966 9.700 0.557 1.00 0.00 O ATOM 393 CB ASN A 24 -8.176 11.395 2.332 1.00 0.00 C ATOM 394 CG ASN A 24 -9.349 11.183 3.288 1.00 0.00 C ATOM 395 OD1 ASN A 24 -9.299 11.618 4.438 1.00 0.00 O ATOM 396 ND2 ASN A 24 -10.406 10.537 2.879 1.00 0.00 N ATOM 0 H ASN A 24 -7.111 11.137 4.542 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.494 9.335 2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.764 12.395 2.466 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.521 11.328 1.300 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.192 10.392 3.513 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.446 10.177 1.926 1.00 0.00 H new ATOM 403 N GLN A 25 -5.103 11.454 1.685 1.00 0.00 N ATOM 404 CA GLN A 25 -4.018 11.667 0.724 1.00 0.00 C ATOM 405 C GLN A 25 -3.035 10.493 0.738 1.00 0.00 C ATOM 406 O GLN A 25 -2.569 10.052 -0.316 1.00 0.00 O ATOM 407 CB GLN A 25 -3.268 12.967 1.052 1.00 0.00 C ATOM 408 CG GLN A 25 -4.195 14.174 0.833 1.00 0.00 C ATOM 409 CD GLN A 25 -3.482 15.483 1.189 1.00 0.00 C ATOM 410 OE1 GLN A 25 -2.590 15.505 2.040 1.00 0.00 O ATOM 411 NE2 GLN A 25 -3.828 16.586 0.586 1.00 0.00 N ATOM 0 H GLN A 25 -5.109 12.105 2.470 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.459 11.742 -0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.921 12.946 2.085 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.384 13.057 0.421 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.520 14.204 -0.207 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.091 14.065 1.444 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.565 16.572 -0.119 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.361 17.463 0.819 1.00 0.00 H new ATOM 420 N GLN A 26 -2.719 10.008 1.941 1.00 0.00 N ATOM 421 CA GLN A 26 -1.776 8.897 2.108 1.00 0.00 C ATOM 422 C GLN A 26 -2.304 7.601 1.486 1.00 0.00 C ATOM 423 O GLN A 26 -1.532 6.834 0.900 1.00 0.00 O ATOM 424 CB GLN A 26 -1.496 8.676 3.601 1.00 0.00 C ATOM 425 CG GLN A 26 -0.793 9.913 4.188 1.00 0.00 C ATOM 426 CD GLN A 26 -0.569 9.741 5.691 1.00 0.00 C ATOM 427 OE1 GLN A 26 0.547 9.916 6.179 1.00 0.00 O ATOM 428 NE2 GLN A 26 -1.570 9.403 6.457 1.00 0.00 N ATOM 0 H GLN A 26 -3.102 10.367 2.815 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.855 9.163 1.590 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.430 8.491 4.132 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.872 7.793 3.737 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.163 10.067 3.687 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.396 10.802 4.004 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.495 9.258 6.053 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.427 9.284 7.460 1.00 0.00 H new ATOM 437 N LYS A 27 -3.615 7.354 1.626 1.00 0.00 N ATOM 438 CA LYS A 27 -4.228 6.133 1.081 1.00 0.00 C ATOM 439 C LYS A 27 -4.014 6.054 -0.434 1.00 0.00 C ATOM 440 O LYS A 27 -3.426 5.095 -0.941 1.00 0.00 O ATOM 441 CB LYS A 27 -5.738 6.113 1.383 1.00 0.00 C ATOM 442 CG LYS A 27 -5.982 6.058 2.898 1.00 0.00 C ATOM 443 CD LYS A 27 -7.483 6.258 3.193 1.00 0.00 C ATOM 444 CE LYS A 27 -8.056 5.019 3.892 1.00 0.00 C ATOM 445 NZ LYS A 27 -7.744 5.079 5.352 1.00 0.00 N ATOM 0 H LYS A 27 -4.265 7.976 2.106 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.752 5.274 1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.210 7.002 0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.200 5.250 0.903 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.649 5.099 3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.398 6.830 3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.623 7.137 3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.022 6.442 2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.135 4.970 3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.632 4.114 3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.340 4.171 5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.058 5.841 5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.616 5.267 5.886 1.00 0.00 H new ATOM 459 N ARG A 28 -4.487 7.081 -1.144 1.00 0.00 N ATOM 460 CA ARG A 28 -4.344 7.143 -2.599 1.00 0.00 C ATOM 461 C ARG A 28 -2.868 7.194 -2.996 1.00 0.00 C ATOM 462 O ARG A 28 -2.470 6.621 -4.018 1.00 0.00 O ATOM 463 CB ARG A 28 -5.075 8.384 -3.137 1.00 0.00 C ATOM 464 CG ARG A 28 -5.083 8.371 -4.677 1.00 0.00 C ATOM 465 CD ARG A 28 -5.741 9.653 -5.210 1.00 0.00 C ATOM 466 NE ARG A 28 -7.145 9.731 -4.789 1.00 0.00 N ATOM 467 CZ ARG A 28 -8.104 9.003 -5.369 1.00 0.00 C ATOM 468 NH1 ARG A 28 -7.823 8.181 -6.343 1.00 0.00 N ATOM 469 NH2 ARG A 28 -9.334 9.116 -4.958 1.00 0.00 N ATOM 0 H ARG A 28 -4.972 7.880 -0.735 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.785 6.245 -3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.098 8.404 -2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.585 9.288 -2.776 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.063 8.292 -5.053 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.625 7.497 -5.039 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.198 10.525 -4.845 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.681 9.673 -6.298 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.397 10.362 -4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.862 8.088 -6.671 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.565 7.631 -6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.561 9.757 -4.198 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.071 8.563 -5.396 1.00 0.00 H new ATOM 483 N ALA A 29 -2.069 7.906 -2.192 1.00 0.00 N ATOM 484 CA ALA A 29 -0.640 8.067 -2.464 1.00 0.00 C ATOM 485 C ALA A 29 0.091 6.723 -2.518 1.00 0.00 C ATOM 486 O ALA A 29 0.934 6.520 -3.400 1.00 0.00 O ATOM 487 CB ALA A 29 -0.002 8.961 -1.395 1.00 0.00 C ATOM 0 H ALA A 29 -2.391 8.379 -1.348 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.545 8.535 -3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.062 9.076 -1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.482 9.940 -1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.131 8.504 -0.414 1.00 0.00 H new ATOM 493 N PHE A 30 -0.214 5.811 -1.579 1.00 0.00 N ATOM 494 CA PHE A 30 0.458 4.507 -1.566 1.00 0.00 C ATOM 495 C PHE A 30 0.195 3.737 -2.860 1.00 0.00 C ATOM 496 O PHE A 30 1.131 3.443 -3.592 1.00 0.00 O ATOM 497 CB PHE A 30 0.006 3.658 -0.367 1.00 0.00 C ATOM 498 CG PHE A 30 0.775 4.058 0.878 1.00 0.00 C ATOM 499 CD1 PHE A 30 2.175 3.958 0.894 1.00 0.00 C ATOM 500 CD2 PHE A 30 0.096 4.512 2.016 1.00 0.00 C ATOM 501 CE1 PHE A 30 2.891 4.311 2.040 1.00 0.00 C ATOM 502 CE2 PHE A 30 0.816 4.867 3.163 1.00 0.00 C ATOM 503 CZ PHE A 30 2.215 4.766 3.173 1.00 0.00 C ATOM 0 H PHE A 30 -0.903 5.949 -0.839 1.00 0.00 H new ATOM 0 HA PHE A 30 1.527 4.700 -1.479 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.063 3.790 -0.201 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.167 2.601 -0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.700 3.607 0.018 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.981 4.588 2.009 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.968 4.232 2.049 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.294 5.219 4.041 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.769 5.041 4.058 1.00 0.00 H new ATOM 513 N ILE A 31 -1.077 3.408 -3.121 1.00 0.00 N ATOM 514 CA ILE A 31 -1.460 2.648 -4.323 1.00 0.00 C ATOM 515 C ILE A 31 -0.919 3.299 -5.610 1.00 0.00 C ATOM 516 O ILE A 31 -0.441 2.594 -6.505 1.00 0.00 O ATOM 517 CB ILE A 31 -2.999 2.514 -4.397 1.00 0.00 C ATOM 518 CG1 ILE A 31 -3.510 1.733 -3.165 1.00 0.00 C ATOM 519 CG2 ILE A 31 -3.401 1.765 -5.683 1.00 0.00 C ATOM 520 CD1 ILE A 31 -5.043 1.666 -3.174 1.00 0.00 C ATOM 0 H ILE A 31 -1.860 3.656 -2.517 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.013 1.657 -4.245 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.443 3.509 -4.409 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.095 0.725 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.166 2.217 -2.251 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.486 1.675 -5.727 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.047 2.319 -6.552 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.954 0.771 -5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.388 1.113 -2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.451 2.676 -3.149 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.380 1.161 -4.079 1.00 0.00 H new ATOM 532 N ARG A 32 -0.996 4.633 -5.696 1.00 0.00 N ATOM 533 CA ARG A 32 -0.504 5.346 -6.881 1.00 0.00 C ATOM 534 C ARG A 32 1.001 5.106 -7.060 1.00 0.00 C ATOM 535 O ARG A 32 1.462 4.737 -8.149 1.00 0.00 O ATOM 536 CB ARG A 32 -0.786 6.853 -6.734 1.00 0.00 C ATOM 537 CG ARG A 32 -0.379 7.614 -8.011 1.00 0.00 C ATOM 538 CD ARG A 32 -1.398 7.360 -9.133 1.00 0.00 C ATOM 539 NE ARG A 32 -1.010 8.094 -10.341 1.00 0.00 N ATOM 540 CZ ARG A 32 -1.753 8.075 -11.451 1.00 0.00 C ATOM 541 NH1 ARG A 32 -2.865 7.392 -11.499 1.00 0.00 N ATOM 542 NH2 ARG A 32 -1.364 8.746 -12.498 1.00 0.00 N ATOM 0 H ARG A 32 -1.388 5.233 -4.970 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.023 4.969 -7.762 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.846 7.011 -6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.237 7.248 -5.879 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.318 8.682 -7.802 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.612 7.295 -8.332 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.455 6.293 -9.349 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.391 7.673 -8.811 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.146 8.636 -10.334 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.175 6.865 -10.683 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.423 7.386 -12.353 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.497 9.282 -12.467 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.927 8.735 -13.349 1.00 0.00 H new ATOM 556 N SER A 33 1.755 5.303 -5.973 1.00 0.00 N ATOM 557 CA SER A 33 3.205 5.093 -5.995 1.00 0.00 C ATOM 558 C SER A 33 3.526 3.609 -6.196 1.00 0.00 C ATOM 559 O SER A 33 4.507 3.259 -6.852 1.00 0.00 O ATOM 560 CB SER A 33 3.824 5.581 -4.679 1.00 0.00 C ATOM 561 OG SER A 33 3.461 6.939 -4.464 1.00 0.00 O ATOM 0 H SER A 33 1.387 5.606 -5.071 1.00 0.00 H new ATOM 0 HA SER A 33 3.626 5.661 -6.825 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.477 4.964 -3.850 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.909 5.484 -4.716 1.00 0.00 H new ATOM 0 HG SER A 33 2.561 6.980 -4.079 1.00 0.00 H new ATOM 567 N LEU A 34 2.682 2.757 -5.608 1.00 0.00 N ATOM 568 CA LEU A 34 2.842 1.305 -5.689 1.00 0.00 C ATOM 569 C LEU A 34 2.808 0.855 -7.146 1.00 0.00 C ATOM 570 O LEU A 34 3.642 0.056 -7.579 1.00 0.00 O ATOM 571 CB LEU A 34 1.699 0.642 -4.898 1.00 0.00 C ATOM 572 CG LEU A 34 2.048 -0.800 -4.499 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.350 -1.127 -3.167 1.00 0.00 C ATOM 574 CD2 LEU A 34 1.572 -1.779 -5.588 1.00 0.00 C ATOM 0 H LEU A 34 1.872 3.054 -5.064 1.00 0.00 H new ATOM 0 HA LEU A 34 3.802 1.012 -5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.489 1.227 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.791 0.644 -5.500 1.00 0.00 H new ATOM 0 HG LEU A 34 3.128 -0.899 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.589 -2.149 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.694 -0.437 -2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.271 -1.028 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.824 -2.799 -5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.492 -1.692 -5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.063 -1.540 -6.532 1.00 0.00 H new ATOM 586 N TYR A 35 1.843 1.395 -7.898 1.00 0.00 N ATOM 587 CA TYR A 35 1.706 1.070 -9.316 1.00 0.00 C ATOM 588 C TYR A 35 2.948 1.538 -10.073 1.00 0.00 C ATOM 589 O TYR A 35 3.495 0.810 -10.906 1.00 0.00 O ATOM 590 CB TYR A 35 0.455 1.754 -9.886 1.00 0.00 C ATOM 591 CG TYR A 35 0.229 1.307 -11.319 1.00 0.00 C ATOM 592 CD1 TYR A 35 -0.464 0.117 -11.583 1.00 0.00 C ATOM 593 CD2 TYR A 35 0.716 2.080 -12.383 1.00 0.00 C ATOM 594 CE1 TYR A 35 -0.670 -0.296 -12.904 1.00 0.00 C ATOM 595 CE2 TYR A 35 0.510 1.665 -13.704 1.00 0.00 C ATOM 596 CZ TYR A 35 -0.182 0.477 -13.964 1.00 0.00 C ATOM 597 OH TYR A 35 -0.385 0.067 -15.267 1.00 0.00 O ATOM 0 H TYR A 35 1.150 2.056 -7.548 1.00 0.00 H new ATOM 0 HA TYR A 35 1.604 -0.009 -9.431 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -0.415 1.506 -9.277 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.573 2.837 -9.848 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.839 -0.481 -10.766 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.251 2.997 -12.183 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.206 -1.212 -13.106 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.885 2.262 -14.522 1.00 0.00 H new ATOM 0 HH TYR A 35 0.016 0.717 -15.881 1.00 0.00 H new ATOM 607 N ASP A 36 3.383 2.762 -9.770 1.00 0.00 N ATOM 608 CA ASP A 36 4.560 3.342 -10.413 1.00 0.00 C ATOM 609 C ASP A 36 5.817 2.517 -10.108 1.00 0.00 C ATOM 610 O ASP A 36 6.657 2.312 -10.989 1.00 0.00 O ATOM 611 CB ASP A 36 4.751 4.783 -9.924 1.00 0.00 C ATOM 612 CG ASP A 36 5.734 5.520 -10.834 1.00 0.00 C ATOM 613 OD1 ASP A 36 5.385 5.752 -11.980 1.00 0.00 O ATOM 614 OD2 ASP A 36 6.822 5.835 -10.378 1.00 0.00 O ATOM 0 H ASP A 36 2.937 3.370 -9.083 1.00 0.00 H new ATOM 0 HA ASP A 36 4.404 3.336 -11.492 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.793 5.302 -9.915 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.123 4.781 -8.899 1.00 0.00 H new ATOM 619 N ASP A 37 5.938 2.062 -8.852 1.00 0.00 N ATOM 620 CA ASP A 37 7.095 1.267 -8.410 1.00 0.00 C ATOM 621 C ASP A 37 6.632 0.026 -7.617 1.00 0.00 C ATOM 622 O ASP A 37 6.562 0.062 -6.382 1.00 0.00 O ATOM 623 CB ASP A 37 8.020 2.138 -7.534 1.00 0.00 C ATOM 624 CG ASP A 37 8.500 3.374 -8.302 1.00 0.00 C ATOM 625 OD1 ASP A 37 9.006 3.216 -9.404 1.00 0.00 O ATOM 626 OD2 ASP A 37 8.368 4.459 -7.768 1.00 0.00 O ATOM 0 H ASP A 37 5.246 2.231 -8.122 1.00 0.00 H new ATOM 0 HA ASP A 37 7.643 0.928 -9.289 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.488 2.448 -6.634 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.879 1.550 -7.210 1.00 0.00 H new ATOM 631 N PRO A 38 6.302 -1.062 -8.297 1.00 0.00 N ATOM 632 CA PRO A 38 5.823 -2.316 -7.625 1.00 0.00 C ATOM 633 C PRO A 38 6.904 -2.969 -6.760 1.00 0.00 C ATOM 634 O PRO A 38 6.603 -3.824 -5.923 1.00 0.00 O ATOM 635 CB PRO A 38 5.419 -3.232 -8.789 1.00 0.00 C ATOM 636 CG PRO A 38 6.182 -2.734 -9.968 1.00 0.00 C ATOM 637 CD PRO A 38 6.355 -1.229 -9.766 1.00 0.00 C ATOM 0 HA PRO A 38 5.003 -2.114 -6.936 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.664 -4.272 -8.574 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.345 -3.188 -8.969 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.150 -3.230 -10.042 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.646 -2.942 -10.894 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.302 -0.877 -10.175 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.565 -0.665 -10.262 1.00 0.00 H new ATOM 645 N SER A 39 8.156 -2.560 -6.970 1.00 0.00 N ATOM 646 CA SER A 39 9.279 -3.104 -6.211 1.00 0.00 C ATOM 647 C SER A 39 9.227 -2.646 -4.755 1.00 0.00 C ATOM 648 O SER A 39 9.821 -3.286 -3.882 1.00 0.00 O ATOM 649 CB SER A 39 10.601 -2.657 -6.849 1.00 0.00 C ATOM 650 OG SER A 39 11.698 -3.152 -6.085 1.00 0.00 O ATOM 0 H SER A 39 8.416 -1.854 -7.659 1.00 0.00 H new ATOM 0 HA SER A 39 9.213 -4.192 -6.231 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.664 -3.025 -7.873 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.642 -1.569 -6.898 1.00 0.00 H new ATOM 0 HG SER A 39 12.540 -2.865 -6.497 1.00 0.00 H new ATOM 656 N GLN A 40 8.553 -1.516 -4.509 1.00 0.00 N ATOM 657 CA GLN A 40 8.466 -0.951 -3.165 1.00 0.00 C ATOM 658 C GLN A 40 7.175 -1.347 -2.447 1.00 0.00 C ATOM 659 O GLN A 40 7.008 -1.012 -1.276 1.00 0.00 O ATOM 660 CB GLN A 40 8.546 0.580 -3.274 1.00 0.00 C ATOM 661 CG GLN A 40 10.007 1.033 -3.413 1.00 0.00 C ATOM 662 CD GLN A 40 10.708 0.315 -4.571 1.00 0.00 C ATOM 663 OE1 GLN A 40 10.636 0.763 -5.714 1.00 0.00 O ATOM 664 NE2 GLN A 40 11.383 -0.778 -4.338 1.00 0.00 N ATOM 0 H GLN A 40 8.062 -0.979 -5.224 1.00 0.00 H new ATOM 0 HA GLN A 40 9.293 -1.347 -2.576 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.970 0.920 -4.135 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.100 1.037 -2.391 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.041 2.110 -3.577 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.541 0.835 -2.484 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.442 -1.149 -3.390 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.851 -1.261 -5.104 1.00 0.00 H new ATOM 673 N SER A 41 6.265 -2.048 -3.144 1.00 0.00 N ATOM 674 CA SER A 41 4.976 -2.453 -2.548 1.00 0.00 C ATOM 675 C SER A 41 5.159 -3.036 -1.142 1.00 0.00 C ATOM 676 O SER A 41 4.345 -2.782 -0.248 1.00 0.00 O ATOM 677 CB SER A 41 4.272 -3.479 -3.444 1.00 0.00 C ATOM 678 OG SER A 41 4.288 -3.026 -4.791 1.00 0.00 O ATOM 0 H SER A 41 6.394 -2.345 -4.111 1.00 0.00 H new ATOM 0 HA SER A 41 4.360 -1.557 -2.466 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.771 -4.445 -3.369 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.244 -3.624 -3.111 1.00 0.00 H new ATOM 0 HG SER A 41 4.948 -3.540 -5.301 1.00 0.00 H new ATOM 684 N ALA A 42 6.243 -3.791 -0.945 1.00 0.00 N ATOM 685 CA ALA A 42 6.531 -4.373 0.364 1.00 0.00 C ATOM 686 C ALA A 42 6.810 -3.259 1.378 1.00 0.00 C ATOM 687 O ALA A 42 6.247 -3.249 2.478 1.00 0.00 O ATOM 688 CB ALA A 42 7.745 -5.305 0.267 1.00 0.00 C ATOM 0 H ALA A 42 6.928 -4.011 -1.668 1.00 0.00 H new ATOM 0 HA ALA A 42 5.667 -4.949 0.695 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.953 -5.735 1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.534 -6.105 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.612 -4.739 -0.072 1.00 0.00 H new ATOM 694 N ASN A 43 7.677 -2.318 0.988 1.00 0.00 N ATOM 695 CA ASN A 43 8.026 -1.191 1.856 1.00 0.00 C ATOM 696 C ASN A 43 6.797 -0.330 2.133 1.00 0.00 C ATOM 697 O ASN A 43 6.562 0.074 3.271 1.00 0.00 O ATOM 698 CB ASN A 43 9.095 -0.308 1.194 1.00 0.00 C ATOM 699 CG ASN A 43 10.385 -1.083 0.921 1.00 0.00 C ATOM 700 OD1 ASN A 43 10.564 -2.210 1.389 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.307 -0.525 0.191 1.00 0.00 N ATOM 0 H ASN A 43 8.147 -2.315 0.083 1.00 0.00 H new ATOM 0 HA ASN A 43 8.412 -1.601 2.790 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.707 0.092 0.257 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.313 0.544 1.838 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.179 -1.020 0.005 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.157 0.407 -0.195 1.00 0.00 H new ATOM 708 N LEU A 44 6.026 -0.049 1.074 1.00 0.00 N ATOM 709 CA LEU A 44 4.822 0.781 1.190 1.00 0.00 C ATOM 710 C LEU A 44 3.843 0.186 2.199 1.00 0.00 C ATOM 711 O LEU A 44 3.239 0.914 2.990 1.00 0.00 O ATOM 712 CB LEU A 44 4.114 0.891 -0.164 1.00 0.00 C ATOM 713 CG LEU A 44 5.025 1.503 -1.262 1.00 0.00 C ATOM 714 CD1 LEU A 44 4.181 1.826 -2.500 1.00 0.00 C ATOM 715 CD2 LEU A 44 5.714 2.788 -0.779 1.00 0.00 C ATOM 0 H LEU A 44 6.215 -0.384 0.129 1.00 0.00 H new ATOM 0 HA LEU A 44 5.138 1.768 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.784 -0.099 -0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.220 1.505 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 44 5.797 0.771 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.818 2.256 -3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.722 0.912 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.402 2.540 -2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.342 3.185 -1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.959 3.527 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.330 2.565 0.092 1.00 0.00 H new ATOM 727 N LEU A 45 3.699 -1.142 2.167 1.00 0.00 N ATOM 728 CA LEU A 45 2.802 -1.840 3.091 1.00 0.00 C ATOM 729 C LEU A 45 3.269 -1.611 4.532 1.00 0.00 C ATOM 730 O LEU A 45 2.469 -1.275 5.411 1.00 0.00 O ATOM 731 CB LEU A 45 2.793 -3.335 2.744 1.00 0.00 C ATOM 732 CG LEU A 45 1.964 -4.141 3.766 1.00 0.00 C ATOM 733 CD1 LEU A 45 0.492 -3.707 3.717 1.00 0.00 C ATOM 734 CD2 LEU A 45 2.065 -5.639 3.436 1.00 0.00 C ATOM 0 H LEU A 45 4.190 -1.753 1.514 1.00 0.00 H new ATOM 0 HA LEU A 45 1.787 -1.453 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.381 -3.476 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.815 -3.712 2.723 1.00 0.00 H new ATOM 0 HG LEU A 45 2.355 -3.954 4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.082 -4.283 4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.417 -2.646 3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.094 -3.883 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.480 -6.211 4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.679 -5.817 2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.108 -5.953 3.485 1.00 0.00 H new ATOM 746 N ALA A 46 4.578 -1.759 4.747 1.00 0.00 N ATOM 747 CA ALA A 46 5.161 -1.531 6.073 1.00 0.00 C ATOM 748 C ALA A 46 4.994 -0.061 6.455 1.00 0.00 C ATOM 749 O ALA A 46 4.699 0.267 7.607 1.00 0.00 O ATOM 750 CB ALA A 46 6.647 -1.887 6.069 1.00 0.00 C ATOM 0 H ALA A 46 5.249 -2.033 4.029 1.00 0.00 H new ATOM 0 HA ALA A 46 4.648 -2.163 6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.066 -1.712 7.060 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.769 -2.937 5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.168 -1.266 5.341 1.00 0.00 H new ATOM 756 N GLU A 47 5.168 0.814 5.462 1.00 0.00 N ATOM 757 CA GLU A 47 5.016 2.249 5.664 1.00 0.00 C ATOM 758 C GLU A 47 3.575 2.555 6.074 1.00 0.00 C ATOM 759 O GLU A 47 3.331 3.421 6.921 1.00 0.00 O ATOM 760 CB GLU A 47 5.384 2.987 4.370 1.00 0.00 C ATOM 761 CG GLU A 47 6.915 3.027 4.203 1.00 0.00 C ATOM 762 CD GLU A 47 7.543 4.001 5.207 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.264 5.188 5.111 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.305 3.552 6.051 1.00 0.00 O ATOM 0 H GLU A 47 5.415 0.549 4.509 1.00 0.00 H new ATOM 0 HA GLU A 47 5.682 2.587 6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.930 2.487 3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.986 4.001 4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.328 2.029 4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.167 3.331 3.187 1.00 0.00 H new ATOM 771 N ALA A 48 2.626 1.808 5.493 1.00 0.00 N ATOM 772 CA ALA A 48 1.214 1.971 5.834 1.00 0.00 C ATOM 773 C ALA A 48 1.018 1.569 7.293 1.00 0.00 C ATOM 774 O ALA A 48 0.286 2.225 8.037 1.00 0.00 O ATOM 775 CB ALA A 48 0.337 1.102 4.924 1.00 0.00 C ATOM 0 H ALA A 48 2.812 1.092 4.791 1.00 0.00 H new ATOM 0 HA ALA A 48 0.920 3.011 5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.711 1.236 5.192 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.486 1.397 3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.612 0.054 5.047 1.00 0.00 H new ATOM 781 N LYS A 49 1.720 0.502 7.696 1.00 0.00 N ATOM 782 CA LYS A 49 1.670 0.024 9.075 1.00 0.00 C ATOM 783 C LYS A 49 2.227 1.097 10.012 1.00 0.00 C ATOM 784 O LYS A 49 1.725 1.283 11.124 1.00 0.00 O ATOM 785 CB LYS A 49 2.484 -1.280 9.211 1.00 0.00 C ATOM 786 CG LYS A 49 1.563 -2.498 9.044 1.00 0.00 C ATOM 787 CD LYS A 49 0.867 -2.806 10.379 1.00 0.00 C ATOM 788 CE LYS A 49 -0.302 -3.772 10.150 1.00 0.00 C ATOM 789 NZ LYS A 49 -0.804 -4.264 11.466 1.00 0.00 N ATOM 0 H LYS A 49 2.327 -0.043 7.084 1.00 0.00 H new ATOM 0 HA LYS A 49 0.635 -0.182 9.347 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.273 -1.305 8.459 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.971 -1.314 10.186 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.819 -2.301 8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.142 -3.362 8.716 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.580 -3.244 11.078 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.504 -1.883 10.831 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.103 -3.269 9.608 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.021 -4.612 9.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.597 -4.919 11.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.038 -4.759 11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.127 -3.458 12.038 1.00 0.00 H new ATOM 803 N LYS A 50 3.262 1.802 9.544 1.00 0.00 N ATOM 804 CA LYS A 50 3.887 2.865 10.326 1.00 0.00 C ATOM 805 C LYS A 50 2.883 3.987 10.585 1.00 0.00 C ATOM 806 O LYS A 50 2.677 4.396 11.732 1.00 0.00 O ATOM 807 CB LYS A 50 5.091 3.414 9.557 1.00 0.00 C ATOM 808 CG LYS A 50 5.933 4.321 10.465 1.00 0.00 C ATOM 809 CD LYS A 50 7.230 4.720 9.740 1.00 0.00 C ATOM 810 CE LYS A 50 6.949 5.815 8.701 1.00 0.00 C ATOM 811 NZ LYS A 50 8.081 5.881 7.731 1.00 0.00 N ATOM 0 H LYS A 50 3.682 1.653 8.627 1.00 0.00 H new ATOM 0 HA LYS A 50 4.216 2.462 11.284 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.702 2.590 9.187 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.751 3.974 8.686 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.365 5.212 10.732 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.169 3.803 11.395 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.963 5.076 10.463 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.663 3.848 9.250 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.018 5.603 8.176 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.824 6.778 9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.706 5.962 6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.672 6.710 7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.655 5.017 7.808 1.00 0.00 H new ATOM 825 N LEU A 51 2.251 4.466 9.507 1.00 0.00 N ATOM 826 CA LEU A 51 1.252 5.531 9.617 1.00 0.00 C ATOM 827 C LEU A 51 0.060 5.049 10.441 1.00 0.00 C ATOM 828 O LEU A 51 -0.442 5.777 11.300 1.00 0.00 O ATOM 829 CB LEU A 51 0.795 5.965 8.212 1.00 0.00 C ATOM 830 CG LEU A 51 1.919 6.762 7.521 1.00 0.00 C ATOM 831 CD1 LEU A 51 1.542 7.012 6.058 1.00 0.00 C ATOM 832 CD2 LEU A 51 2.125 8.112 8.233 1.00 0.00 C ATOM 0 H LEU A 51 2.413 4.135 8.556 1.00 0.00 H new ATOM 0 HA LEU A 51 1.697 6.388 10.122 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.538 5.089 7.616 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.105 6.576 8.285 1.00 0.00 H new ATOM 0 HG LEU A 51 2.844 6.187 7.570 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.336 7.576 5.569 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.407 6.058 5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.613 7.581 6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.921 8.667 7.737 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.201 8.689 8.193 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.399 7.937 9.273 1.00 0.00 H new ATOM 844 N ASN A 52 -0.370 3.809 10.182 1.00 0.00 N ATOM 845 CA ASN A 52 -1.491 3.202 10.909 1.00 0.00 C ATOM 846 C ASN A 52 -1.216 3.185 12.414 1.00 0.00 C ATOM 847 O ASN A 52 -2.071 3.571 13.214 1.00 0.00 O ATOM 848 CB ASN A 52 -1.699 1.764 10.405 1.00 0.00 C ATOM 849 CG ASN A 52 -2.782 1.045 11.216 1.00 0.00 C ATOM 850 OD1 ASN A 52 -2.475 0.172 12.027 1.00 0.00 O ATOM 851 ND2 ASN A 52 -4.032 1.363 11.047 1.00 0.00 N ATOM 0 H ASN A 52 0.043 3.204 9.472 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.389 3.794 10.731 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.981 1.782 9.352 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.762 1.212 10.475 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.756 0.889 11.586 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.288 2.087 10.375 1.00 0.00 H new ATOM 858 N ASP A 53 -0.017 2.734 12.779 1.00 0.00 N ATOM 859 CA ASP A 53 0.381 2.657 14.185 1.00 0.00 C ATOM 860 C ASP A 53 0.483 4.046 14.810 1.00 0.00 C ATOM 861 O ASP A 53 0.114 4.239 15.971 1.00 0.00 O ATOM 862 CB ASP A 53 1.737 1.950 14.297 1.00 0.00 C ATOM 863 CG ASP A 53 2.097 1.705 15.766 1.00 0.00 C ATOM 864 OD1 ASP A 53 1.637 0.714 16.312 1.00 0.00 O ATOM 865 OD2 ASP A 53 2.823 2.513 16.324 1.00 0.00 O ATOM 0 H ASP A 53 0.696 2.416 12.122 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.382 2.094 14.722 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.704 1.001 13.762 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.510 2.556 13.824 1.00 0.00 H new ATOM 870 N ALA A 54 1.022 4.996 14.045 1.00 0.00 N ATOM 871 CA ALA A 54 1.213 6.354 14.543 1.00 0.00 C ATOM 872 C ALA A 54 -0.116 7.107 14.708 1.00 0.00 C ATOM 873 O ALA A 54 -0.378 7.685 15.766 1.00 0.00 O ATOM 874 CB ALA A 54 2.126 7.128 13.584 1.00 0.00 C ATOM 0 H ALA A 54 1.332 4.849 13.084 1.00 0.00 H new ATOM 0 HA ALA A 54 1.673 6.281 15.529 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.268 8.142 13.956 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.092 6.627 13.517 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.668 7.165 12.596 1.00 0.00 H new ATOM 880 N GLN A 55 -0.935 7.109 13.652 1.00 0.00 N ATOM 881 CA GLN A 55 -2.229 7.810 13.672 1.00 0.00 C ATOM 882 C GLN A 55 -3.221 7.150 14.634 1.00 0.00 C ATOM 883 O GLN A 55 -4.122 7.817 15.148 1.00 0.00 O ATOM 884 CB GLN A 55 -2.839 7.843 12.261 1.00 0.00 C ATOM 885 CG GLN A 55 -1.953 8.667 11.315 1.00 0.00 C ATOM 886 CD GLN A 55 -2.258 8.282 9.872 1.00 0.00 C ATOM 887 OE1 GLN A 55 -2.566 9.136 9.042 1.00 0.00 O ATOM 888 NE2 GLN A 55 -2.191 7.025 9.528 1.00 0.00 N ATOM 0 H GLN A 55 -0.728 6.635 12.773 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.039 8.826 14.019 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.944 6.827 11.879 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.840 8.274 12.300 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.134 9.731 11.465 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.901 8.488 11.536 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.935 6.320 10.219 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.394 6.747 8.568 1.00 0.00 H new ATOM 897 N ALA A 56 -3.068 5.837 14.847 1.00 0.00 N ATOM 898 CA ALA A 56 -3.974 5.091 15.725 1.00 0.00 C ATOM 899 C ALA A 56 -4.030 5.703 17.135 1.00 0.00 C ATOM 900 O ALA A 56 -3.029 6.230 17.628 1.00 0.00 O ATOM 901 CB ALA A 56 -3.530 3.628 15.821 1.00 0.00 C ATOM 0 H ALA A 56 -2.330 5.273 14.426 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.972 5.146 15.290 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.210 3.084 16.476 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.544 3.178 14.828 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.520 3.580 16.227 1.00 0.00 H new ATOM 907 N PRO A 57 -5.181 5.633 17.785 1.00 0.00 N ATOM 908 CA PRO A 57 -5.377 6.185 19.164 1.00 0.00 C ATOM 909 C PRO A 57 -4.706 5.321 20.235 1.00 0.00 C ATOM 910 O PRO A 57 -4.523 4.115 20.051 1.00 0.00 O ATOM 911 CB PRO A 57 -6.900 6.193 19.336 1.00 0.00 C ATOM 912 CG PRO A 57 -7.402 5.106 18.442 1.00 0.00 C ATOM 913 CD PRO A 57 -6.424 5.016 17.274 1.00 0.00 C ATOM 0 HA PRO A 57 -4.926 7.171 19.279 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.180 6.010 20.373 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.323 7.158 19.057 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.455 4.158 18.977 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.409 5.329 18.088 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.259 3.981 16.973 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.800 5.546 16.399 1.00 0.00 H new ATOM 921 N LYS A 58 -4.348 5.957 21.354 1.00 0.00 N ATOM 922 CA LYS A 58 -3.700 5.259 22.471 1.00 0.00 C ATOM 923 C LYS A 58 -4.743 4.531 23.327 1.00 0.00 C ATOM 924 O LYS A 58 -4.591 3.336 23.528 1.00 0.00 O ATOM 925 CB LYS A 58 -2.923 6.261 23.345 1.00 0.00 C ATOM 926 CG LYS A 58 -1.900 7.044 22.500 1.00 0.00 C ATOM 927 CD LYS A 58 -0.808 6.096 21.971 1.00 0.00 C ATOM 928 CE LYS A 58 0.284 6.900 21.253 1.00 0.00 C ATOM 929 NZ LYS A 58 0.984 7.784 22.231 1.00 0.00 N ATOM 930 OXT LYS A 58 -5.679 5.180 23.770 1.00 0.00 O ATOM 0 H LYS A 58 -4.495 6.954 21.512 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.005 4.526 22.060 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.619 6.955 23.817 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.409 5.730 24.146 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.404 7.531 21.665 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.447 7.832 23.102 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.373 5.533 22.797 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.246 5.370 21.286 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.998 6.223 20.784 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.157 7.500 20.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.916 8.049 21.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.418 8.642 22.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.106 7.278 23.131 1.00 0.00 H new TER 944 LYS A 58