USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 528 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 31 ASN : amide:sc= -3.78! C(o=-2.3!,f=-8.6!) USER MOD Set 1.2: A 55 THR OG1 : rot 73:sc= 1.47 USER MOD Set 2.1: A 16 MET CE :methyl -143:sc= -3.51! (180deg=-6.93!) USER MOD Set 2.2: A 39 SER OG : rot 175:sc= 1.13 USER MOD Set 2.3: A 40 THR OG1 : rot 180:sc= -0.0285 USER MOD Set 2.4: A 42 SER OG : rot 180:sc= 0.417 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.1) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot -41:sc= 0.527 USER MOD Single : A 7 SER OG : rot 180:sc= 0.00252 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 148:sc= 1.14 (180deg=0.955) USER MOD Single : A 19 THR OG1 : rot 19:sc= 0.625 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= -0.306 (180deg=-0.387) USER MOD Single : A 25 THR OG1 : rot 59:sc= 0.135 USER MOD Single : A 30 THR OG1 : rot -170:sc= -0.98 USER MOD Single : A 32 LYS NZ :NH3+ -121:sc= 1.22 (180deg=0.645) USER MOD Single : A 33 LYS NZ :NH3+ -153:sc= 1.16 (180deg=0.195) USER MOD Single : A 43 THR OG1 : rot 16:sc= 0.644 USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= -0.0239 (180deg=-0.24) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 172:sc=-0.00385 (180deg=-0.0828) USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 59 SER OG : rot -63:sc= 1.24 USER MOD Single : A 60 GLN : amide:sc= -1.05 K(o=-1,f=0) USER MOD Single : A 61 GLN : amide:sc= -2.61! K(o=-2.6!,f=-0.63) USER MOD Single : A 62 LYS NZ :NH3+ 160:sc= 1.32 (180deg=0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.367 11.449 -14.543 1.00 0.00 N ATOM 2 CA MET A 1 -12.040 10.143 -13.922 1.00 0.00 C ATOM 3 C MET A 1 -10.572 10.091 -13.509 1.00 0.00 C ATOM 4 O MET A 1 -10.244 9.669 -12.401 1.00 0.00 O ATOM 5 CB MET A 1 -12.344 8.994 -14.888 1.00 0.00 C ATOM 6 CG MET A 1 -13.805 8.907 -15.300 1.00 0.00 C ATOM 7 SD MET A 1 -14.914 8.692 -13.894 1.00 0.00 S ATOM 8 CE MET A 1 -16.501 8.665 -14.726 1.00 0.00 C ATOM 0 H1 MET A 1 -13.394 11.515 -14.692 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.058 12.219 -13.916 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.878 11.531 -15.457 1.00 0.00 H new ATOM 0 HA MET A 1 -12.660 10.033 -13.032 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.731 9.111 -15.782 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.051 8.053 -14.422 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.081 9.813 -15.839 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.934 8.073 -15.990 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.295 8.538 -13.990 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.648 9.604 -15.260 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.526 7.837 -15.434 1.00 0.00 H new ATOM 20 N GLY A 2 -9.687 10.519 -14.400 1.00 0.00 N ATOM 21 CA GLY A 2 -8.268 10.494 -14.108 1.00 0.00 C ATOM 22 C GLY A 2 -7.573 9.331 -14.785 1.00 0.00 C ATOM 23 O GLY A 2 -7.439 9.308 -16.007 1.00 0.00 O ATOM 0 H GLY A 2 -9.928 10.884 -15.322 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -7.813 11.429 -14.435 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -8.120 10.428 -13.030 1.00 0.00 H new ATOM 27 N ASN A 3 -7.137 8.361 -13.997 1.00 0.00 N ATOM 28 CA ASN A 3 -6.493 7.175 -14.544 1.00 0.00 C ATOM 29 C ASN A 3 -7.474 6.014 -14.583 1.00 0.00 C ATOM 30 O ASN A 3 -7.557 5.227 -13.633 1.00 0.00 O ATOM 31 CB ASN A 3 -5.255 6.787 -13.729 1.00 0.00 C ATOM 32 CG ASN A 3 -4.179 7.858 -13.749 1.00 0.00 C ATOM 33 OD1 ASN A 3 -4.159 8.754 -12.905 1.00 0.00 O ATOM 34 ND2 ASN A 3 -3.277 7.773 -14.710 1.00 0.00 N ATOM 0 H ASN A 3 -7.216 8.370 -12.980 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.171 7.408 -15.559 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -5.550 6.594 -12.698 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -4.843 5.857 -14.122 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -2.530 8.465 -14.771 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -3.327 7.015 -15.391 1.00 0.00 H new ATOM 41 N ILE A 4 -8.229 5.940 -15.680 1.00 0.00 N ATOM 42 CA ILE A 4 -9.247 4.906 -15.893 1.00 0.00 C ATOM 43 C ILE A 4 -10.407 5.050 -14.905 1.00 0.00 C ATOM 44 O ILE A 4 -11.490 5.505 -15.268 1.00 0.00 O ATOM 45 CB ILE A 4 -8.656 3.478 -15.801 1.00 0.00 C ATOM 46 CG1 ILE A 4 -7.522 3.309 -16.813 1.00 0.00 C ATOM 47 CG2 ILE A 4 -9.743 2.435 -16.043 1.00 0.00 C ATOM 48 CD1 ILE A 4 -6.836 1.960 -16.746 1.00 0.00 C ATOM 0 H ILE A 4 -8.152 6.601 -16.453 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.625 5.053 -16.905 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.254 3.332 -14.798 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.920 3.454 -17.817 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.781 4.091 -16.648 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.311 1.437 -15.975 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -10.525 2.544 -15.292 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -10.170 2.578 -17.035 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -6.044 1.917 -17.494 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -6.407 1.819 -15.754 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -7.563 1.172 -16.942 1.00 0.00 H new ATOM 60 N ARG A 5 -10.162 4.679 -13.659 1.00 0.00 N ATOM 61 CA ARG A 5 -11.179 4.741 -12.621 1.00 0.00 C ATOM 62 C ARG A 5 -10.572 5.265 -11.324 1.00 0.00 C ATOM 63 O ARG A 5 -10.946 6.328 -10.830 1.00 0.00 O ATOM 64 CB ARG A 5 -11.784 3.352 -12.384 1.00 0.00 C ATOM 65 CG ARG A 5 -13.024 3.366 -11.503 1.00 0.00 C ATOM 66 CD ARG A 5 -13.378 1.972 -11.003 1.00 0.00 C ATOM 67 NE ARG A 5 -13.504 0.998 -12.088 1.00 0.00 N ATOM 68 CZ ARG A 5 -14.258 -0.100 -12.016 1.00 0.00 C ATOM 69 NH1 ARG A 5 -15.021 -0.315 -10.949 1.00 0.00 N ATOM 70 NH2 ARG A 5 -14.261 -0.971 -13.017 1.00 0.00 N ATOM 0 H ARG A 5 -9.259 4.329 -13.339 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.967 5.419 -12.948 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.038 2.907 -13.346 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.031 2.711 -11.926 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.858 4.026 -10.652 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.864 3.775 -12.064 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.611 1.635 -10.305 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -14.316 2.016 -10.449 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.985 1.169 -12.949 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.030 0.360 -10.184 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -15.597 -1.155 -10.895 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.686 -0.801 -13.842 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.838 -1.810 -12.961 1.00 0.00 H new ATOM 84 N THR A 6 -9.632 4.503 -10.786 1.00 0.00 N ATOM 85 CA THR A 6 -8.956 4.858 -9.550 1.00 0.00 C ATOM 86 C THR A 6 -7.731 3.953 -9.372 1.00 0.00 C ATOM 87 O THR A 6 -7.184 3.808 -8.280 1.00 0.00 O ATOM 88 CB THR A 6 -9.920 4.716 -8.344 1.00 0.00 C ATOM 89 OG1 THR A 6 -9.310 5.201 -7.143 1.00 0.00 O ATOM 90 CG2 THR A 6 -10.347 3.265 -8.150 1.00 0.00 C ATOM 0 H THR A 6 -9.317 3.623 -11.194 1.00 0.00 H new ATOM 0 HA THR A 6 -8.632 5.898 -9.598 1.00 0.00 H new ATOM 0 HB THR A 6 -10.804 5.316 -8.561 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.374 4.913 -7.112 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.023 3.195 -7.297 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.857 2.913 -9.047 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.467 2.648 -7.967 1.00 0.00 H new ATOM 98 N SER A 7 -7.275 3.384 -10.488 1.00 0.00 N ATOM 99 CA SER A 7 -6.228 2.367 -10.478 1.00 0.00 C ATOM 100 C SER A 7 -4.876 2.932 -10.042 1.00 0.00 C ATOM 101 O SER A 7 -3.956 2.181 -9.717 1.00 0.00 O ATOM 102 CB SER A 7 -6.123 1.758 -11.874 1.00 0.00 C ATOM 103 OG SER A 7 -7.415 1.472 -12.384 1.00 0.00 O ATOM 0 H SER A 7 -7.620 3.615 -11.420 1.00 0.00 H new ATOM 0 HA SER A 7 -6.498 1.603 -9.749 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.606 2.447 -12.541 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.529 0.845 -11.836 1.00 0.00 H new ATOM 0 HG SER A 7 -7.334 1.084 -13.280 1.00 0.00 H new ATOM 109 N PHE A 8 -4.771 4.255 -10.024 1.00 0.00 N ATOM 110 CA PHE A 8 -3.535 4.919 -9.639 1.00 0.00 C ATOM 111 C PHE A 8 -3.192 4.628 -8.177 1.00 0.00 C ATOM 112 O PHE A 8 -2.022 4.472 -7.829 1.00 0.00 O ATOM 113 CB PHE A 8 -3.648 6.428 -9.872 1.00 0.00 C ATOM 114 CG PHE A 8 -2.367 7.176 -9.626 1.00 0.00 C ATOM 115 CD1 PHE A 8 -1.254 6.947 -10.421 1.00 0.00 C ATOM 116 CD2 PHE A 8 -2.275 8.111 -8.605 1.00 0.00 C ATOM 117 CE1 PHE A 8 -0.075 7.637 -10.202 1.00 0.00 C ATOM 118 CE2 PHE A 8 -1.099 8.801 -8.382 1.00 0.00 C ATOM 119 CZ PHE A 8 0.001 8.564 -9.181 1.00 0.00 C ATOM 0 H PHE A 8 -5.530 4.890 -10.273 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.729 4.528 -10.260 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.970 6.605 -10.898 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.424 6.830 -9.220 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.308 6.222 -11.220 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.133 8.302 -7.977 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.785 7.451 -10.829 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.041 9.525 -7.583 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.921 9.103 -9.008 1.00 0.00 H new ATOM 129 N VAL A 9 -4.217 4.535 -7.333 1.00 0.00 N ATOM 130 CA VAL A 9 -4.019 4.259 -5.912 1.00 0.00 C ATOM 131 C VAL A 9 -3.391 2.881 -5.712 1.00 0.00 C ATOM 132 O VAL A 9 -2.403 2.730 -4.989 1.00 0.00 O ATOM 133 CB VAL A 9 -5.352 4.327 -5.135 1.00 0.00 C ATOM 134 CG1 VAL A 9 -5.130 4.084 -3.651 1.00 0.00 C ATOM 135 CG2 VAL A 9 -6.039 5.665 -5.365 1.00 0.00 C ATOM 0 H VAL A 9 -5.193 4.647 -7.608 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.347 5.025 -5.525 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.003 3.538 -5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.084 4.137 -3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.691 3.097 -3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.456 4.843 -3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.976 5.693 -4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.390 6.471 -5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.244 5.791 -6.428 1.00 0.00 H new ATOM 145 N LYS A 10 -3.970 1.886 -6.377 1.00 0.00 N ATOM 146 CA LYS A 10 -3.474 0.516 -6.313 1.00 0.00 C ATOM 147 C LYS A 10 -2.028 0.448 -6.789 1.00 0.00 C ATOM 148 O LYS A 10 -1.204 -0.262 -6.209 1.00 0.00 O ATOM 149 CB LYS A 10 -4.355 -0.396 -7.165 1.00 0.00 C ATOM 150 CG LYS A 10 -3.911 -1.850 -7.174 1.00 0.00 C ATOM 151 CD LYS A 10 -4.841 -2.705 -8.017 1.00 0.00 C ATOM 152 CE LYS A 10 -4.366 -4.147 -8.086 1.00 0.00 C ATOM 153 NZ LYS A 10 -5.300 -4.997 -8.865 1.00 0.00 N ATOM 0 H LYS A 10 -4.790 2.005 -6.971 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.510 0.179 -5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.380 -0.342 -6.797 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.364 -0.023 -8.189 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.896 -1.920 -7.564 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.888 -2.232 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.847 -2.672 -7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.902 -2.293 -9.024 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.376 -4.182 -8.541 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.267 -4.546 -7.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.942 -5.973 -8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.238 -4.983 -8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.375 -4.631 -9.836 1.00 0.00 H new ATOM 167 N ARG A 11 -1.730 1.200 -7.840 1.00 0.00 N ATOM 168 CA ARG A 11 -0.384 1.260 -8.391 1.00 0.00 C ATOM 169 C ARG A 11 0.623 1.754 -7.353 1.00 0.00 C ATOM 170 O ARG A 11 1.688 1.159 -7.190 1.00 0.00 O ATOM 171 CB ARG A 11 -0.361 2.152 -9.642 1.00 0.00 C ATOM 172 CG ARG A 11 0.997 2.773 -9.932 1.00 0.00 C ATOM 173 CD ARG A 11 1.097 3.259 -11.366 1.00 0.00 C ATOM 174 NE ARG A 11 1.279 2.151 -12.301 1.00 0.00 N ATOM 175 CZ ARG A 11 1.432 2.296 -13.615 1.00 0.00 C ATOM 176 NH1 ARG A 11 1.375 3.504 -14.165 1.00 0.00 N ATOM 177 NH2 ARG A 11 1.652 1.230 -14.374 1.00 0.00 N ATOM 0 H ARG A 11 -2.409 1.781 -8.331 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.090 0.250 -8.676 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.670 1.560 -10.504 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.095 2.948 -9.522 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.168 3.608 -9.252 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.781 2.040 -9.741 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.194 3.811 -11.627 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.932 3.953 -11.457 1.00 0.00 H new ATOM 0 HE ARG A 11 1.289 1.204 -11.922 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.214 4.324 -13.580 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.493 3.612 -15.172 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.703 0.304 -13.950 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.770 1.337 -15.382 1.00 0.00 H new ATOM 191 N ILE A 12 0.275 2.824 -6.646 1.00 0.00 N ATOM 192 CA ILE A 12 1.175 3.415 -5.657 1.00 0.00 C ATOM 193 C ILE A 12 1.580 2.390 -4.601 1.00 0.00 C ATOM 194 O ILE A 12 2.767 2.163 -4.367 1.00 0.00 O ATOM 195 CB ILE A 12 0.529 4.631 -4.958 1.00 0.00 C ATOM 196 CG1 ILE A 12 0.138 5.696 -5.981 1.00 0.00 C ATOM 197 CG2 ILE A 12 1.484 5.217 -3.931 1.00 0.00 C ATOM 198 CD1 ILE A 12 -0.603 6.874 -5.383 1.00 0.00 C ATOM 0 H ILE A 12 -0.622 3.301 -6.738 1.00 0.00 H new ATOM 0 HA ILE A 12 2.062 3.748 -6.197 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.374 4.294 -4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.039 6.059 -6.477 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.486 5.238 -6.749 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.016 6.073 -3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.722 4.461 -3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.400 5.537 -4.427 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.847 7.588 -6.170 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.522 6.525 -4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.026 7.358 -4.636 1.00 0.00 H new ATOM 210 N ALA A 13 0.586 1.759 -3.986 1.00 0.00 N ATOM 211 CA ALA A 13 0.829 0.800 -2.912 1.00 0.00 C ATOM 212 C ALA A 13 1.608 -0.415 -3.414 1.00 0.00 C ATOM 213 O ALA A 13 2.580 -0.850 -2.788 1.00 0.00 O ATOM 214 CB ALA A 13 -0.490 0.363 -2.289 1.00 0.00 C ATOM 0 H ALA A 13 -0.399 1.894 -4.213 1.00 0.00 H new ATOM 0 HA ALA A 13 1.435 1.293 -2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.296 -0.352 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.005 1.232 -1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.115 -0.105 -3.050 1.00 0.00 H new ATOM 220 N LYS A 14 1.188 -0.945 -4.555 1.00 0.00 N ATOM 221 CA LYS A 14 1.796 -2.149 -5.103 1.00 0.00 C ATOM 222 C LYS A 14 3.258 -1.890 -5.467 1.00 0.00 C ATOM 223 O LYS A 14 4.122 -2.740 -5.244 1.00 0.00 O ATOM 224 CB LYS A 14 0.999 -2.632 -6.324 1.00 0.00 C ATOM 225 CG LYS A 14 1.105 -4.129 -6.585 1.00 0.00 C ATOM 226 CD LYS A 14 2.387 -4.506 -7.318 1.00 0.00 C ATOM 227 CE LYS A 14 2.345 -4.080 -8.777 1.00 0.00 C ATOM 228 NZ LYS A 14 3.555 -4.520 -9.521 1.00 0.00 N ATOM 0 H LYS A 14 0.430 -0.560 -5.118 1.00 0.00 H new ATOM 0 HA LYS A 14 1.773 -2.934 -4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.050 -2.372 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.346 -2.095 -7.207 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.063 -4.664 -5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.246 -4.454 -7.172 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.239 -4.037 -6.826 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.538 -5.584 -7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.456 -4.497 -9.251 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.258 -2.995 -8.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.302 -4.717 -10.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.273 -3.769 -9.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.937 -5.382 -9.083 1.00 0.00 H new ATOM 242 N GLU A 15 3.532 -0.713 -6.016 1.00 0.00 N ATOM 243 CA GLU A 15 4.894 -0.354 -6.377 1.00 0.00 C ATOM 244 C GLU A 15 5.754 -0.097 -5.148 1.00 0.00 C ATOM 245 O GLU A 15 6.958 -0.341 -5.181 1.00 0.00 O ATOM 246 CB GLU A 15 4.927 0.844 -7.317 1.00 0.00 C ATOM 247 CG GLU A 15 4.567 0.479 -8.743 1.00 0.00 C ATOM 248 CD GLU A 15 4.910 1.573 -9.725 1.00 0.00 C ATOM 249 OE1 GLU A 15 6.086 1.982 -9.778 1.00 0.00 O ATOM 250 OE2 GLU A 15 4.009 2.023 -10.460 1.00 0.00 O ATOM 0 H GLU A 15 2.834 0.003 -6.219 1.00 0.00 H new ATOM 0 HA GLU A 15 5.316 -1.208 -6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.234 1.604 -6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.923 1.287 -7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.091 -0.434 -9.024 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.500 0.265 -8.801 1.00 0.00 H new ATOM 257 N MET A 16 5.144 0.386 -4.067 1.00 0.00 N ATOM 258 CA MET A 16 5.866 0.555 -2.806 1.00 0.00 C ATOM 259 C MET A 16 6.497 -0.766 -2.391 1.00 0.00 C ATOM 260 O MET A 16 7.648 -0.807 -1.953 1.00 0.00 O ATOM 261 CB MET A 16 4.946 1.046 -1.685 1.00 0.00 C ATOM 262 CG MET A 16 4.549 2.507 -1.794 1.00 0.00 C ATOM 263 SD MET A 16 3.552 3.049 -0.391 1.00 0.00 S ATOM 264 CE MET A 16 3.297 4.773 -0.795 1.00 0.00 C ATOM 0 H MET A 16 4.163 0.665 -4.037 1.00 0.00 H new ATOM 0 HA MET A 16 6.638 1.308 -2.968 1.00 0.00 H new ATOM 0 HB2 MET A 16 4.043 0.436 -1.680 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.443 0.888 -0.728 1.00 0.00 H new ATOM 0 HG2 MET A 16 5.447 3.122 -1.859 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.989 2.662 -2.717 1.00 0.00 H new ATOM 0 HE1 MET A 16 3.321 5.368 0.118 1.00 0.00 H new ATOM 0 HE2 MET A 16 4.085 5.109 -1.468 1.00 0.00 H new ATOM 0 HE3 MET A 16 2.329 4.893 -1.281 1.00 0.00 H new ATOM 274 N ILE A 17 5.729 -1.839 -2.550 1.00 0.00 N ATOM 275 CA ILE A 17 6.196 -3.181 -2.227 1.00 0.00 C ATOM 276 C ILE A 17 7.344 -3.605 -3.146 1.00 0.00 C ATOM 277 O ILE A 17 8.417 -3.988 -2.677 1.00 0.00 O ATOM 278 CB ILE A 17 5.055 -4.214 -2.355 1.00 0.00 C ATOM 279 CG1 ILE A 17 3.842 -3.784 -1.527 1.00 0.00 C ATOM 280 CG2 ILE A 17 5.536 -5.593 -1.923 1.00 0.00 C ATOM 281 CD1 ILE A 17 2.625 -4.659 -1.735 1.00 0.00 C ATOM 0 H ILE A 17 4.773 -1.803 -2.904 1.00 0.00 H new ATOM 0 HA ILE A 17 6.548 -3.153 -1.196 1.00 0.00 H new ATOM 0 HB ILE A 17 4.753 -4.265 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.111 -3.796 -0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.587 -2.755 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.720 -6.309 -2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.368 -5.903 -2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.865 -5.555 -0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.805 -4.295 -1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.330 -4.628 -2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.863 -5.685 -1.455 1.00 0.00 H new ATOM 293 N GLU A 18 7.112 -3.526 -4.456 1.00 0.00 N ATOM 294 CA GLU A 18 8.070 -4.022 -5.446 1.00 0.00 C ATOM 295 C GLU A 18 9.372 -3.214 -5.475 1.00 0.00 C ATOM 296 O GLU A 18 10.298 -3.573 -6.204 1.00 0.00 O ATOM 297 CB GLU A 18 7.451 -4.035 -6.844 1.00 0.00 C ATOM 298 CG GLU A 18 7.084 -2.656 -7.361 1.00 0.00 C ATOM 299 CD GLU A 18 6.737 -2.655 -8.831 1.00 0.00 C ATOM 300 OE1 GLU A 18 5.573 -2.932 -9.172 1.00 0.00 O ATOM 301 OE2 GLU A 18 7.631 -2.372 -9.654 1.00 0.00 O ATOM 0 H GLU A 18 6.266 -3.122 -4.858 1.00 0.00 H new ATOM 0 HA GLU A 18 8.318 -5.039 -5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.152 -4.499 -7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.557 -4.658 -6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.237 -2.273 -6.792 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.917 -1.975 -7.189 1.00 0.00 H new ATOM 308 N THR A 19 9.432 -2.123 -4.720 1.00 0.00 N ATOM 309 CA THR A 19 10.636 -1.296 -4.666 1.00 0.00 C ATOM 310 C THR A 19 11.839 -2.124 -4.218 1.00 0.00 C ATOM 311 O THR A 19 12.933 -2.014 -4.777 1.00 0.00 O ATOM 312 CB THR A 19 10.447 -0.106 -3.706 1.00 0.00 C ATOM 313 OG1 THR A 19 9.240 0.593 -4.031 1.00 0.00 O ATOM 314 CG2 THR A 19 11.629 0.853 -3.789 1.00 0.00 C ATOM 0 H THR A 19 8.664 -1.789 -4.137 1.00 0.00 H new ATOM 0 HA THR A 19 10.817 -0.913 -5.670 1.00 0.00 H new ATOM 0 HB THR A 19 10.385 -0.494 -2.689 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.660 0.012 -4.566 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.472 1.685 -3.102 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.544 0.327 -3.518 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.717 1.234 -4.806 1.00 0.00 H new ATOM 322 N HIS A 20 11.629 -2.957 -3.212 1.00 0.00 N ATOM 323 CA HIS A 20 12.674 -3.838 -2.718 1.00 0.00 C ATOM 324 C HIS A 20 12.058 -5.104 -2.147 1.00 0.00 C ATOM 325 O HIS A 20 11.252 -5.034 -1.220 1.00 0.00 O ATOM 326 CB HIS A 20 13.515 -3.134 -1.648 1.00 0.00 C ATOM 327 CG HIS A 20 14.614 -3.989 -1.089 1.00 0.00 C ATOM 328 ND1 HIS A 20 14.655 -4.401 0.225 1.00 0.00 N ATOM 329 CD2 HIS A 20 15.715 -4.515 -1.677 1.00 0.00 C ATOM 330 CE1 HIS A 20 15.729 -5.139 0.419 1.00 0.00 C ATOM 331 NE2 HIS A 20 16.388 -5.225 -0.717 1.00 0.00 N ATOM 0 H HIS A 20 10.740 -3.041 -2.720 1.00 0.00 H new ATOM 0 HA HIS A 20 13.327 -4.101 -3.550 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.951 -2.231 -2.076 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.862 -2.818 -0.834 1.00 0.00 H new ATOM 0 HD2 HIS A 20 16.008 -4.397 -2.710 1.00 0.00 H new ATOM 0 HE1 HIS A 20 16.020 -5.596 1.353 1.00 0.00 H new ATOM 0 HE2 HIS A 20 17.259 -5.737 -0.860 1.00 0.00 H new ATOM 340 N PRO A 21 12.412 -6.274 -2.706 1.00 0.00 N ATOM 341 CA PRO A 21 11.930 -7.567 -2.208 1.00 0.00 C ATOM 342 C PRO A 21 12.306 -7.790 -0.757 1.00 0.00 C ATOM 343 O PRO A 21 13.444 -8.134 -0.423 1.00 0.00 O ATOM 344 CB PRO A 21 12.611 -8.594 -3.120 1.00 0.00 C ATOM 345 CG PRO A 21 12.998 -7.829 -4.339 1.00 0.00 C ATOM 346 CD PRO A 21 13.296 -6.431 -3.873 1.00 0.00 C ATOM 0 HA PRO A 21 10.842 -7.636 -2.233 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.483 -9.034 -2.637 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.935 -9.413 -3.366 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.869 -8.274 -4.819 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.193 -7.832 -5.074 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.345 -6.311 -3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.079 -5.693 -4.646 1.00 0.00 H new ATOM 354 N GLY A 22 11.334 -7.554 0.093 1.00 0.00 N ATOM 355 CA GLY A 22 11.503 -7.711 1.508 1.00 0.00 C ATOM 356 C GLY A 22 10.198 -7.460 2.210 1.00 0.00 C ATOM 357 O GLY A 22 9.239 -7.010 1.579 1.00 0.00 O ATOM 0 H GLY A 22 10.402 -7.247 -0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 22 11.858 -8.717 1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.261 -7.017 1.872 1.00 0.00 H new ATOM 361 N LYS A 23 10.165 -7.735 3.500 1.00 0.00 N ATOM 362 CA LYS A 23 8.943 -7.601 4.291 1.00 0.00 C ATOM 363 C LYS A 23 7.857 -8.487 3.671 1.00 0.00 C ATOM 364 O LYS A 23 7.980 -9.713 3.687 1.00 0.00 O ATOM 365 CB LYS A 23 8.475 -6.128 4.369 1.00 0.00 C ATOM 366 CG LYS A 23 9.431 -5.164 5.084 1.00 0.00 C ATOM 367 CD LYS A 23 10.704 -4.902 4.288 1.00 0.00 C ATOM 368 CE LYS A 23 11.573 -3.823 4.930 1.00 0.00 C ATOM 369 NZ LYS A 23 11.111 -2.447 4.590 1.00 0.00 N ATOM 0 H LYS A 23 10.974 -8.056 4.032 1.00 0.00 H new ATOM 0 HA LYS A 23 9.143 -7.923 5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.312 -5.763 3.355 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.511 -6.098 4.877 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.919 -4.219 5.265 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.695 -5.576 6.058 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.276 -5.826 4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.441 -4.599 3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.564 -3.949 6.013 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.605 -3.948 4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.689 -1.750 5.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.207 -2.291 3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.114 -2.338 4.864 1.00 0.00 H new ATOM 383 N PHE A 24 6.805 -7.858 3.132 1.00 0.00 N ATOM 384 CA PHE A 24 5.833 -8.518 2.244 1.00 0.00 C ATOM 385 C PHE A 24 4.909 -9.530 2.943 1.00 0.00 C ATOM 386 O PHE A 24 3.745 -9.657 2.566 1.00 0.00 O ATOM 387 CB PHE A 24 6.568 -9.201 1.076 1.00 0.00 C ATOM 388 CG PHE A 24 5.664 -9.944 0.128 1.00 0.00 C ATOM 389 CD1 PHE A 24 4.939 -9.264 -0.836 1.00 0.00 C ATOM 390 CD2 PHE A 24 5.546 -11.325 0.202 1.00 0.00 C ATOM 391 CE1 PHE A 24 4.110 -9.945 -1.707 1.00 0.00 C ATOM 392 CE2 PHE A 24 4.720 -12.010 -0.667 1.00 0.00 C ATOM 393 CZ PHE A 24 4.000 -11.319 -1.622 1.00 0.00 C ATOM 0 H PHE A 24 6.601 -6.873 3.299 1.00 0.00 H new ATOM 0 HA PHE A 24 5.181 -7.724 1.881 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.120 -8.445 0.517 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.302 -9.897 1.481 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.022 -8.190 -0.908 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.106 -11.870 0.947 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.549 -9.403 -2.454 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.637 -13.085 -0.600 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.352 -11.853 -2.301 1.00 0.00 H new ATOM 403 N THR A 25 5.397 -10.227 3.955 1.00 0.00 N ATOM 404 CA THR A 25 4.693 -11.392 4.477 1.00 0.00 C ATOM 405 C THR A 25 3.586 -11.038 5.471 1.00 0.00 C ATOM 406 O THR A 25 3.725 -11.280 6.670 1.00 0.00 O ATOM 407 CB THR A 25 5.681 -12.370 5.138 1.00 0.00 C ATOM 408 OG1 THR A 25 6.499 -11.672 6.089 1.00 0.00 O ATOM 409 CG2 THR A 25 6.563 -13.043 4.095 1.00 0.00 C ATOM 0 H THR A 25 6.273 -10.010 4.431 1.00 0.00 H new ATOM 0 HA THR A 25 4.215 -11.863 3.618 1.00 0.00 H new ATOM 0 HB THR A 25 5.106 -13.141 5.651 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.929 -11.261 6.772 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.252 -13.729 4.589 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.939 -13.597 3.394 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.130 -12.285 3.555 1.00 0.00 H new ATOM 417 N ASP A 26 2.510 -10.440 4.942 1.00 0.00 N ATOM 418 CA ASP A 26 1.249 -10.198 5.670 1.00 0.00 C ATOM 419 C ASP A 26 1.473 -9.835 7.137 1.00 0.00 C ATOM 420 O ASP A 26 1.161 -10.603 8.049 1.00 0.00 O ATOM 421 CB ASP A 26 0.326 -11.420 5.538 1.00 0.00 C ATOM 422 CG ASP A 26 -1.002 -11.252 6.249 1.00 0.00 C ATOM 423 OD1 ASP A 26 -1.719 -10.275 5.961 1.00 0.00 O ATOM 424 OD2 ASP A 26 -1.337 -12.114 7.093 1.00 0.00 O ATOM 0 H ASP A 26 2.487 -10.104 3.979 1.00 0.00 H new ATOM 0 HA ASP A 26 0.769 -9.333 5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.142 -11.614 4.481 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.836 -12.296 5.939 1.00 0.00 H new ATOM 429 N ASP A 27 2.073 -8.678 7.347 1.00 0.00 N ATOM 430 CA ASP A 27 2.358 -8.189 8.685 1.00 0.00 C ATOM 431 C ASP A 27 2.092 -6.691 8.766 1.00 0.00 C ATOM 432 O ASP A 27 2.268 -5.972 7.780 1.00 0.00 O ATOM 433 CB ASP A 27 3.805 -8.524 9.056 1.00 0.00 C ATOM 434 CG ASP A 27 4.289 -7.818 10.304 1.00 0.00 C ATOM 435 OD1 ASP A 27 3.587 -7.856 11.340 1.00 0.00 O ATOM 436 OD2 ASP A 27 5.376 -7.213 10.245 1.00 0.00 O ATOM 0 H ASP A 27 2.376 -8.053 6.600 1.00 0.00 H new ATOM 0 HA ASP A 27 1.700 -8.679 9.402 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.894 -9.601 9.200 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.456 -8.259 8.223 1.00 0.00 H new ATOM 441 N PHE A 28 1.667 -6.223 9.932 1.00 0.00 N ATOM 442 CA PHE A 28 1.356 -4.812 10.122 1.00 0.00 C ATOM 443 C PHE A 28 2.633 -3.999 10.292 1.00 0.00 C ATOM 444 O PHE A 28 2.720 -2.864 9.835 1.00 0.00 O ATOM 445 CB PHE A 28 0.439 -4.614 11.328 1.00 0.00 C ATOM 446 CG PHE A 28 -0.909 -5.256 11.164 1.00 0.00 C ATOM 447 CD1 PHE A 28 -1.916 -4.609 10.465 1.00 0.00 C ATOM 448 CD2 PHE A 28 -1.167 -6.504 11.706 1.00 0.00 C ATOM 449 CE1 PHE A 28 -3.154 -5.196 10.307 1.00 0.00 C ATOM 450 CE2 PHE A 28 -2.405 -7.097 11.550 1.00 0.00 C ATOM 451 CZ PHE A 28 -3.399 -6.442 10.851 1.00 0.00 C ATOM 0 H PHE A 28 1.530 -6.800 10.762 1.00 0.00 H new ATOM 0 HA PHE A 28 0.834 -4.460 9.232 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.923 -5.024 12.214 1.00 0.00 H new ATOM 0 HB3 PHE A 28 0.306 -3.546 11.503 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.729 -3.634 10.039 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -0.393 -7.019 12.256 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.930 -4.683 9.759 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.595 -8.072 11.974 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.368 -6.903 10.729 1.00 0.00 H new ATOM 461 N ASP A 29 3.631 -4.583 10.940 1.00 0.00 N ATOM 462 CA ASP A 29 4.931 -3.931 11.050 1.00 0.00 C ATOM 463 C ASP A 29 5.554 -3.824 9.662 1.00 0.00 C ATOM 464 O ASP A 29 6.301 -2.895 9.362 1.00 0.00 O ATOM 465 CB ASP A 29 5.851 -4.698 12.005 1.00 0.00 C ATOM 466 CG ASP A 29 7.201 -4.025 12.191 1.00 0.00 C ATOM 467 OD1 ASP A 29 7.252 -2.945 12.822 1.00 0.00 O ATOM 468 OD2 ASP A 29 8.217 -4.582 11.722 1.00 0.00 O ATOM 0 H ASP A 29 3.569 -5.495 11.393 1.00 0.00 H new ATOM 0 HA ASP A 29 4.797 -2.931 11.463 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.362 -4.794 12.974 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.003 -5.707 11.623 1.00 0.00 H new ATOM 473 N THR A 30 5.204 -4.785 8.817 1.00 0.00 N ATOM 474 CA THR A 30 5.600 -4.790 7.418 1.00 0.00 C ATOM 475 C THR A 30 5.061 -3.565 6.673 1.00 0.00 C ATOM 476 O THR A 30 5.821 -2.862 6.004 1.00 0.00 O ATOM 477 CB THR A 30 5.123 -6.084 6.724 1.00 0.00 C ATOM 478 OG1 THR A 30 6.004 -7.165 7.049 1.00 0.00 O ATOM 479 CG2 THR A 30 5.030 -5.922 5.211 1.00 0.00 C ATOM 0 H THR A 30 4.634 -5.587 9.086 1.00 0.00 H new ATOM 0 HA THR A 30 6.689 -4.749 7.387 1.00 0.00 H new ATOM 0 HB THR A 30 4.120 -6.304 7.091 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.793 -7.939 6.487 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.691 -6.857 4.765 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.322 -5.128 4.973 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.011 -5.665 4.812 1.00 0.00 H new ATOM 487 N ASN A 31 3.759 -3.299 6.798 1.00 0.00 N ATOM 488 CA ASN A 31 3.145 -2.192 6.063 1.00 0.00 C ATOM 489 C ASN A 31 3.723 -0.858 6.525 1.00 0.00 C ATOM 490 O ASN A 31 3.922 0.060 5.724 1.00 0.00 O ATOM 491 CB ASN A 31 1.602 -2.229 6.167 1.00 0.00 C ATOM 492 CG ASN A 31 1.018 -1.920 7.548 1.00 0.00 C ATOM 493 OD1 ASN A 31 1.448 -1.014 8.253 1.00 0.00 O ATOM 494 ND2 ASN A 31 0.014 -2.689 7.938 1.00 0.00 N ATOM 0 H ASN A 31 3.118 -3.826 7.392 1.00 0.00 H new ATOM 0 HA ASN A 31 3.386 -2.306 5.006 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.192 -1.516 5.452 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.260 -3.218 5.862 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.423 -2.535 8.847 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.323 -3.435 7.330 1.00 0.00 H new ATOM 501 N LYS A 32 4.034 -0.780 7.813 1.00 0.00 N ATOM 502 CA LYS A 32 4.706 0.379 8.372 1.00 0.00 C ATOM 503 C LYS A 32 6.082 0.517 7.748 1.00 0.00 C ATOM 504 O LYS A 32 6.459 1.579 7.261 1.00 0.00 O ATOM 505 CB LYS A 32 4.852 0.219 9.886 1.00 0.00 C ATOM 506 CG LYS A 32 5.547 1.390 10.566 1.00 0.00 C ATOM 507 CD LYS A 32 6.282 0.939 11.820 1.00 0.00 C ATOM 508 CE LYS A 32 7.549 0.167 11.473 1.00 0.00 C ATOM 509 NZ LYS A 32 8.171 -0.461 12.670 1.00 0.00 N ATOM 0 H LYS A 32 3.828 -1.513 8.492 1.00 0.00 H new ATOM 0 HA LYS A 32 4.114 1.270 8.160 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.862 0.092 10.325 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.412 -0.693 10.093 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.252 1.850 9.874 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.812 2.152 10.826 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.538 1.808 12.426 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.625 0.312 12.423 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.313 -0.605 10.741 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.266 0.841 11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.141 -0.103 12.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.612 -0.226 13.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.195 -1.493 12.547 1.00 0.00 H new ATOM 523 N LYS A 33 6.807 -0.591 7.733 1.00 0.00 N ATOM 524 CA LYS A 33 8.194 -0.610 7.301 1.00 0.00 C ATOM 525 C LYS A 33 8.317 -0.372 5.797 1.00 0.00 C ATOM 526 O LYS A 33 9.406 -0.152 5.288 1.00 0.00 O ATOM 527 CB LYS A 33 8.824 -1.947 7.689 1.00 0.00 C ATOM 528 CG LYS A 33 10.337 -1.914 7.810 1.00 0.00 C ATOM 529 CD LYS A 33 10.848 -3.135 8.560 1.00 0.00 C ATOM 530 CE LYS A 33 10.175 -3.256 9.918 1.00 0.00 C ATOM 531 NZ LYS A 33 10.683 -4.404 10.712 1.00 0.00 N ATOM 0 H LYS A 33 6.449 -1.502 8.020 1.00 0.00 H new ATOM 0 HA LYS A 33 8.725 0.201 7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.402 -2.271 8.640 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.547 -2.695 6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.785 -1.879 6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.645 -1.007 8.331 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.657 -4.034 7.973 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.928 -3.062 8.690 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.331 -2.335 10.479 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.100 -3.365 9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.944 -4.726 11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.940 -5.182 10.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.522 -4.109 11.252 1.00 0.00 H new ATOM 545 N LEU A 34 7.208 -0.458 5.078 1.00 0.00 N ATOM 546 CA LEU A 34 7.198 -0.111 3.663 1.00 0.00 C ATOM 547 C LEU A 34 7.072 1.399 3.486 1.00 0.00 C ATOM 548 O LEU A 34 7.852 2.019 2.762 1.00 0.00 O ATOM 549 CB LEU A 34 6.060 -0.828 2.931 1.00 0.00 C ATOM 550 CG LEU A 34 6.163 -2.355 2.908 1.00 0.00 C ATOM 551 CD1 LEU A 34 4.958 -2.962 2.207 1.00 0.00 C ATOM 552 CD2 LEU A 34 7.451 -2.798 2.228 1.00 0.00 C ATOM 0 H LEU A 34 6.308 -0.763 5.447 1.00 0.00 H new ATOM 0 HA LEU A 34 8.142 -0.438 3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.116 -0.550 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.025 -0.466 1.903 1.00 0.00 H new ATOM 0 HG LEU A 34 6.179 -2.710 3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.050 -4.048 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.048 -2.678 2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.911 -2.596 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.504 -3.887 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.467 -2.429 1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.306 -2.396 2.771 1.00 0.00 H new ATOM 564 N VAL A 35 6.098 1.986 4.168 1.00 0.00 N ATOM 565 CA VAL A 35 5.823 3.414 4.038 1.00 0.00 C ATOM 566 C VAL A 35 6.873 4.249 4.773 1.00 0.00 C ATOM 567 O VAL A 35 7.172 5.378 4.384 1.00 0.00 O ATOM 568 CB VAL A 35 4.416 3.757 4.583 1.00 0.00 C ATOM 569 CG1 VAL A 35 4.082 5.225 4.360 1.00 0.00 C ATOM 570 CG2 VAL A 35 3.359 2.870 3.943 1.00 0.00 C ATOM 0 H VAL A 35 5.483 1.496 4.818 1.00 0.00 H new ATOM 0 HA VAL A 35 5.863 3.657 2.976 1.00 0.00 H new ATOM 0 HB VAL A 35 4.422 3.570 5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.087 5.436 4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.815 5.847 4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.104 5.445 3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.378 3.128 4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.364 3.019 2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.577 1.826 4.166 1.00 0.00 H new ATOM 580 N GLU A 36 7.453 3.678 5.820 1.00 0.00 N ATOM 581 CA GLU A 36 8.399 4.391 6.671 1.00 0.00 C ATOM 582 C GLU A 36 9.779 4.537 6.015 1.00 0.00 C ATOM 583 O GLU A 36 10.722 5.012 6.650 1.00 0.00 O ATOM 584 CB GLU A 36 8.530 3.681 8.017 1.00 0.00 C ATOM 585 CG GLU A 36 8.806 4.623 9.177 1.00 0.00 C ATOM 586 CD GLU A 36 7.735 5.684 9.324 1.00 0.00 C ATOM 587 OE1 GLU A 36 6.607 5.346 9.737 1.00 0.00 O ATOM 588 OE2 GLU A 36 8.016 6.868 9.039 1.00 0.00 O ATOM 0 H GLU A 36 7.283 2.713 6.103 1.00 0.00 H new ATOM 0 HA GLU A 36 8.005 5.396 6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.612 3.129 8.218 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.335 2.948 7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.874 4.048 10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.773 5.104 9.029 1.00 0.00 H new ATOM 595 N GLU A 37 9.904 4.148 4.749 1.00 0.00 N ATOM 596 CA GLU A 37 11.195 4.224 4.071 1.00 0.00 C ATOM 597 C GLU A 37 11.043 4.309 2.552 1.00 0.00 C ATOM 598 O GLU A 37 11.720 5.113 1.912 1.00 0.00 O ATOM 599 CB GLU A 37 12.088 3.034 4.452 1.00 0.00 C ATOM 600 CG GLU A 37 11.497 1.673 4.134 1.00 0.00 C ATOM 601 CD GLU A 37 12.455 0.535 4.432 1.00 0.00 C ATOM 602 OE1 GLU A 37 13.428 0.362 3.674 1.00 0.00 O ATOM 603 OE2 GLU A 37 12.235 -0.196 5.421 1.00 0.00 O ATOM 0 H GLU A 37 9.141 3.783 4.179 1.00 0.00 H new ATOM 0 HA GLU A 37 11.674 5.144 4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.042 3.132 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.300 3.083 5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.583 1.534 4.712 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.216 1.640 3.081 1.00 0.00 H new ATOM 610 N PHE A 38 10.166 3.506 1.970 1.00 0.00 N ATOM 611 CA PHE A 38 9.938 3.579 0.533 1.00 0.00 C ATOM 612 C PHE A 38 8.919 4.673 0.238 1.00 0.00 C ATOM 613 O PHE A 38 9.294 5.817 -0.037 1.00 0.00 O ATOM 614 CB PHE A 38 9.475 2.226 -0.018 1.00 0.00 C ATOM 615 CG PHE A 38 10.421 1.097 0.285 1.00 0.00 C ATOM 616 CD1 PHE A 38 11.737 1.137 -0.151 1.00 0.00 C ATOM 617 CD2 PHE A 38 9.995 -0.006 1.008 1.00 0.00 C ATOM 618 CE1 PHE A 38 12.607 0.101 0.125 1.00 0.00 C ATOM 619 CE2 PHE A 38 10.860 -1.047 1.287 1.00 0.00 C ATOM 620 CZ PHE A 38 12.169 -0.992 0.847 1.00 0.00 C ATOM 0 H PHE A 38 9.608 2.807 2.460 1.00 0.00 H new ATOM 0 HA PHE A 38 10.875 3.827 0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 38 8.496 1.990 0.398 1.00 0.00 H new ATOM 0 HB3 PHE A 38 9.352 2.306 -1.098 1.00 0.00 H new ATOM 0 HD1 PHE A 38 12.086 1.990 -0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 38 8.974 -0.053 1.358 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.628 0.145 -0.223 1.00 0.00 H new ATOM 0 HE2 PHE A 38 10.514 -1.902 1.848 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.848 -1.802 1.067 1.00 0.00 H new ATOM 630 N SER A 39 7.640 4.317 0.317 1.00 0.00 N ATOM 631 CA SER A 39 6.548 5.283 0.247 1.00 0.00 C ATOM 632 C SER A 39 6.625 6.151 -1.017 1.00 0.00 C ATOM 633 O SER A 39 7.233 5.779 -2.024 1.00 0.00 O ATOM 634 CB SER A 39 6.574 6.166 1.509 1.00 0.00 C ATOM 635 OG SER A 39 5.400 6.957 1.637 1.00 0.00 O ATOM 0 H SER A 39 7.332 3.351 0.431 1.00 0.00 H new ATOM 0 HA SER A 39 5.608 4.733 0.196 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.681 5.534 2.390 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.447 6.818 1.476 1.00 0.00 H new ATOM 0 HG SER A 39 5.419 7.434 2.493 1.00 0.00 H new ATOM 641 N THR A 40 5.962 7.289 -0.951 1.00 0.00 N ATOM 642 CA THR A 40 5.978 8.293 -1.998 1.00 0.00 C ATOM 643 C THR A 40 5.696 9.640 -1.344 1.00 0.00 C ATOM 644 O THR A 40 6.360 10.644 -1.609 1.00 0.00 O ATOM 645 CB THR A 40 4.917 8.006 -3.083 1.00 0.00 C ATOM 646 OG1 THR A 40 5.079 6.678 -3.588 1.00 0.00 O ATOM 647 CG2 THR A 40 5.024 8.996 -4.232 1.00 0.00 C ATOM 0 H THR A 40 5.385 7.547 -0.151 1.00 0.00 H new ATOM 0 HA THR A 40 6.950 8.286 -2.492 1.00 0.00 H new ATOM 0 HB THR A 40 3.934 8.110 -2.624 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.401 6.504 -4.274 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.265 8.769 -4.980 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.872 10.008 -3.856 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.013 8.922 -4.685 1.00 0.00 H new ATOM 655 N VAL A 41 4.704 9.626 -0.467 1.00 0.00 N ATOM 656 CA VAL A 41 4.400 10.751 0.398 1.00 0.00 C ATOM 657 C VAL A 41 3.539 10.256 1.563 1.00 0.00 C ATOM 658 O VAL A 41 2.381 9.884 1.388 1.00 0.00 O ATOM 659 CB VAL A 41 3.714 11.915 -0.368 1.00 0.00 C ATOM 660 CG1 VAL A 41 2.432 11.467 -1.058 1.00 0.00 C ATOM 661 CG2 VAL A 41 3.446 13.085 0.565 1.00 0.00 C ATOM 0 H VAL A 41 4.084 8.827 -0.336 1.00 0.00 H new ATOM 0 HA VAL A 41 5.333 11.161 0.784 1.00 0.00 H new ATOM 0 HB VAL A 41 4.401 12.242 -1.148 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.986 12.313 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.661 10.677 -1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.731 11.090 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.965 13.890 0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.792 12.762 1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.388 13.443 0.980 1.00 0.00 H new ATOM 671 N SER A 42 4.131 10.204 2.744 1.00 0.00 N ATOM 672 CA SER A 42 3.476 9.596 3.894 1.00 0.00 C ATOM 673 C SER A 42 2.466 10.544 4.539 1.00 0.00 C ATOM 674 O SER A 42 1.477 10.090 5.123 1.00 0.00 O ATOM 675 CB SER A 42 4.529 9.163 4.910 1.00 0.00 C ATOM 676 OG SER A 42 5.538 8.390 4.282 1.00 0.00 O ATOM 0 H SER A 42 5.062 10.574 2.934 1.00 0.00 H new ATOM 0 HA SER A 42 2.922 8.723 3.549 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.974 10.041 5.378 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.059 8.582 5.704 1.00 0.00 H new ATOM 0 HG SER A 42 6.206 8.122 4.947 1.00 0.00 H new ATOM 682 N THR A 43 2.713 11.851 4.407 1.00 0.00 N ATOM 683 CA THR A 43 1.859 12.890 4.994 1.00 0.00 C ATOM 684 C THR A 43 1.557 12.596 6.467 1.00 0.00 C ATOM 685 O THR A 43 2.467 12.298 7.244 1.00 0.00 O ATOM 686 CB THR A 43 0.538 13.078 4.206 1.00 0.00 C ATOM 687 OG1 THR A 43 -0.189 11.848 4.130 1.00 0.00 O ATOM 688 CG2 THR A 43 0.809 13.595 2.802 1.00 0.00 C ATOM 0 H THR A 43 3.511 12.219 3.890 1.00 0.00 H new ATOM 0 HA THR A 43 2.419 13.823 4.931 1.00 0.00 H new ATOM 0 HB THR A 43 -0.061 13.813 4.743 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.161 11.219 4.795 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.135 13.718 2.271 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.320 14.556 2.860 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.436 12.882 2.267 1.00 0.00 H new ATOM 696 N LYS A 44 0.288 12.684 6.854 1.00 0.00 N ATOM 697 CA LYS A 44 -0.105 12.425 8.232 1.00 0.00 C ATOM 698 C LYS A 44 -0.754 11.052 8.376 1.00 0.00 C ATOM 699 O LYS A 44 -0.212 10.162 9.033 1.00 0.00 O ATOM 700 CB LYS A 44 -1.056 13.515 8.734 1.00 0.00 C ATOM 701 CG LYS A 44 -0.398 14.876 8.870 1.00 0.00 C ATOM 702 CD LYS A 44 0.731 14.849 9.886 1.00 0.00 C ATOM 703 CE LYS A 44 1.486 16.168 9.918 1.00 0.00 C ATOM 704 NZ LYS A 44 2.206 16.432 8.641 1.00 0.00 N ATOM 0 H LYS A 44 -0.483 12.932 6.234 1.00 0.00 H new ATOM 0 HA LYS A 44 0.798 12.437 8.842 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.899 13.595 8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.459 13.217 9.702 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.010 15.192 7.902 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.143 15.613 9.171 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.326 14.637 10.875 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.420 14.040 9.644 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.787 16.981 10.114 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.201 16.156 10.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.900 17.193 8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.697 15.568 8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.524 16.720 7.911 1.00 0.00 H new ATOM 718 N HIS A 45 -1.907 10.877 7.746 1.00 0.00 N ATOM 719 CA HIS A 45 -2.690 9.659 7.929 1.00 0.00 C ATOM 720 C HIS A 45 -2.646 8.748 6.712 1.00 0.00 C ATOM 721 O HIS A 45 -3.098 7.604 6.783 1.00 0.00 O ATOM 722 CB HIS A 45 -4.139 9.997 8.277 1.00 0.00 C ATOM 723 CG HIS A 45 -4.368 10.215 9.740 1.00 0.00 C ATOM 724 ND1 HIS A 45 -4.649 11.449 10.290 1.00 0.00 N ATOM 725 CD2 HIS A 45 -4.366 9.339 10.771 1.00 0.00 C ATOM 726 CE1 HIS A 45 -4.810 11.319 11.595 1.00 0.00 C ATOM 727 NE2 HIS A 45 -4.643 10.049 11.909 1.00 0.00 N ATOM 0 H HIS A 45 -2.320 11.557 7.108 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.235 9.117 8.758 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.435 10.894 7.734 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.785 9.189 7.933 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.180 8.277 10.708 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.039 12.116 12.286 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.709 9.658 12.849 1.00 0.00 H new ATOM 736 N LEU A 46 -2.088 9.227 5.607 1.00 0.00 N ATOM 737 CA LEU A 46 -2.003 8.409 4.402 1.00 0.00 C ATOM 738 C LEU A 46 -1.111 7.202 4.662 1.00 0.00 C ATOM 739 O LEU A 46 -1.369 6.118 4.147 1.00 0.00 O ATOM 740 CB LEU A 46 -1.463 9.216 3.219 1.00 0.00 C ATOM 741 CG LEU A 46 -1.435 8.471 1.881 1.00 0.00 C ATOM 742 CD1 LEU A 46 -2.840 8.053 1.469 1.00 0.00 C ATOM 743 CD2 LEU A 46 -0.802 9.340 0.803 1.00 0.00 C ATOM 0 H LEU A 46 -1.693 10.163 5.519 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.008 8.072 4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.071 10.114 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.451 9.544 3.455 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.831 7.571 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.798 7.525 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.262 7.396 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.468 8.938 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.789 8.796 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.382 10.256 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.219 9.591 1.091 1.00 0.00 H new ATOM 755 N ARG A 47 -0.077 7.408 5.481 1.00 0.00 N ATOM 756 CA ARG A 47 0.808 6.326 5.920 1.00 0.00 C ATOM 757 C ARG A 47 0.002 5.116 6.389 1.00 0.00 C ATOM 758 O ARG A 47 0.211 4.002 5.924 1.00 0.00 O ATOM 759 CB ARG A 47 1.711 6.815 7.064 1.00 0.00 C ATOM 760 CG ARG A 47 2.380 5.692 7.849 1.00 0.00 C ATOM 761 CD ARG A 47 3.005 6.204 9.143 1.00 0.00 C ATOM 762 NE ARG A 47 4.347 6.750 8.947 1.00 0.00 N ATOM 763 CZ ARG A 47 4.628 8.045 8.809 1.00 0.00 C ATOM 764 NH1 ARG A 47 3.659 8.955 8.819 1.00 0.00 N ATOM 765 NH2 ARG A 47 5.886 8.433 8.676 1.00 0.00 N ATOM 0 H ARG A 47 0.170 8.324 5.857 1.00 0.00 H new ATOM 0 HA ARG A 47 1.423 6.027 5.071 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.482 7.466 6.652 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.117 7.420 7.749 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.645 4.921 8.080 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.149 5.225 7.233 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.363 6.974 9.571 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.051 5.390 9.866 1.00 0.00 H new ATOM 0 HE ARG A 47 5.125 6.091 8.913 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.688 8.665 8.933 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.887 9.944 8.712 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.636 7.742 8.679 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.106 9.423 8.570 1.00 0.00 H new ATOM 779 N ASN A 48 -0.934 5.353 7.299 1.00 0.00 N ATOM 780 CA ASN A 48 -1.695 4.275 7.923 1.00 0.00 C ATOM 781 C ASN A 48 -2.795 3.760 7.006 1.00 0.00 C ATOM 782 O ASN A 48 -3.154 2.582 7.055 1.00 0.00 O ATOM 783 CB ASN A 48 -2.301 4.750 9.243 1.00 0.00 C ATOM 784 CG ASN A 48 -1.252 5.122 10.273 1.00 0.00 C ATOM 785 OD1 ASN A 48 -0.785 6.260 10.314 1.00 0.00 O ATOM 786 ND2 ASN A 48 -0.878 4.169 11.114 1.00 0.00 N ATOM 0 H ASN A 48 -1.186 6.287 7.624 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.004 3.454 8.115 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.940 5.613 9.054 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.938 3.964 9.648 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.178 4.366 11.829 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.290 3.238 11.046 1.00 0.00 H new ATOM 793 N LYS A 49 -3.326 4.634 6.163 1.00 0.00 N ATOM 794 CA LYS A 49 -4.420 4.263 5.276 1.00 0.00 C ATOM 795 C LYS A 49 -3.906 3.394 4.146 1.00 0.00 C ATOM 796 O LYS A 49 -4.434 2.310 3.892 1.00 0.00 O ATOM 797 CB LYS A 49 -5.115 5.505 4.706 1.00 0.00 C ATOM 798 CG LYS A 49 -6.351 5.939 5.482 1.00 0.00 C ATOM 799 CD LYS A 49 -6.037 6.261 6.934 1.00 0.00 C ATOM 800 CE LYS A 49 -7.267 6.775 7.670 1.00 0.00 C ATOM 801 NZ LYS A 49 -8.357 5.762 7.732 1.00 0.00 N ATOM 0 H LYS A 49 -3.018 5.602 6.074 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.150 3.700 5.858 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.403 6.330 4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.399 5.306 3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.788 6.816 5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.099 5.148 5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.660 5.368 7.433 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.246 7.009 6.979 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.986 7.065 8.683 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.636 7.672 7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.115 6.106 8.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.738 5.603 6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.980 4.868 8.107 1.00 0.00 H new ATOM 815 N ILE A 50 -2.861 3.864 3.484 1.00 0.00 N ATOM 816 CA ILE A 50 -2.292 3.143 2.367 1.00 0.00 C ATOM 817 C ILE A 50 -1.671 1.830 2.840 1.00 0.00 C ATOM 818 O ILE A 50 -1.726 0.822 2.139 1.00 0.00 O ATOM 819 CB ILE A 50 -1.263 4.007 1.596 1.00 0.00 C ATOM 820 CG1 ILE A 50 -1.109 3.467 0.180 1.00 0.00 C ATOM 821 CG2 ILE A 50 0.087 4.046 2.304 1.00 0.00 C ATOM 822 CD1 ILE A 50 -0.213 4.303 -0.705 1.00 0.00 C ATOM 0 H ILE A 50 -2.392 4.743 3.704 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.098 2.909 1.672 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.635 5.031 1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.709 2.454 0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.095 3.398 -0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.780 4.662 1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.037 4.470 3.301 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.484 3.034 2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.156 3.851 -1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.621 5.310 -0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.785 4.351 -0.270 1.00 0.00 H new ATOM 834 N ALA A 51 -1.113 1.844 4.049 1.00 0.00 N ATOM 835 CA ALA A 51 -0.527 0.649 4.640 1.00 0.00 C ATOM 836 C ALA A 51 -1.597 -0.400 4.901 1.00 0.00 C ATOM 837 O ALA A 51 -1.381 -1.598 4.686 1.00 0.00 O ATOM 838 CB ALA A 51 0.200 0.997 5.929 1.00 0.00 C ATOM 0 H ALA A 51 -1.056 2.675 4.638 1.00 0.00 H new ATOM 0 HA ALA A 51 0.194 0.236 3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.632 0.093 6.358 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.994 1.714 5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.504 1.434 6.637 1.00 0.00 H new ATOM 844 N GLY A 52 -2.754 0.057 5.371 1.00 0.00 N ATOM 845 CA GLY A 52 -3.878 -0.832 5.571 1.00 0.00 C ATOM 846 C GLY A 52 -4.317 -1.466 4.272 1.00 0.00 C ATOM 847 O GLY A 52 -4.618 -2.659 4.221 1.00 0.00 O ATOM 0 H GLY A 52 -2.931 1.031 5.617 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.606 -1.610 6.284 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.709 -0.278 6.006 1.00 0.00 H new ATOM 851 N TYR A 53 -4.331 -0.662 3.218 1.00 0.00 N ATOM 852 CA TYR A 53 -4.668 -1.138 1.886 1.00 0.00 C ATOM 853 C TYR A 53 -3.646 -2.169 1.408 1.00 0.00 C ATOM 854 O TYR A 53 -4.015 -3.207 0.865 1.00 0.00 O ATOM 855 CB TYR A 53 -4.750 0.042 0.911 1.00 0.00 C ATOM 856 CG TYR A 53 -5.100 -0.353 -0.505 1.00 0.00 C ATOM 857 CD1 TYR A 53 -6.333 -0.921 -0.804 1.00 0.00 C ATOM 858 CD2 TYR A 53 -4.197 -0.162 -1.539 1.00 0.00 C ATOM 859 CE1 TYR A 53 -6.655 -1.284 -2.098 1.00 0.00 C ATOM 860 CE2 TYR A 53 -4.509 -0.521 -2.834 1.00 0.00 C ATOM 861 CZ TYR A 53 -5.738 -1.084 -3.109 1.00 0.00 C ATOM 862 OH TYR A 53 -6.049 -1.452 -4.397 1.00 0.00 O ATOM 0 H TYR A 53 -4.110 0.333 3.262 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.643 -1.624 1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.495 0.749 1.275 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.792 0.563 0.906 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.050 -1.081 -0.013 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.233 0.275 -1.327 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.618 -1.721 -2.316 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.795 -0.362 -3.628 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.016 -1.377 -4.534 1.00 0.00 H new ATOM 872 N ILE A 54 -2.362 -1.876 1.625 1.00 0.00 N ATOM 873 CA ILE A 54 -1.286 -2.807 1.277 1.00 0.00 C ATOM 874 C ILE A 54 -1.517 -4.166 1.926 1.00 0.00 C ATOM 875 O ILE A 54 -1.609 -5.184 1.239 1.00 0.00 O ATOM 876 CB ILE A 54 0.099 -2.280 1.724 1.00 0.00 C ATOM 877 CG1 ILE A 54 0.436 -0.976 1.004 1.00 0.00 C ATOM 878 CG2 ILE A 54 1.180 -3.323 1.466 1.00 0.00 C ATOM 879 CD1 ILE A 54 1.717 -0.333 1.491 1.00 0.00 C ATOM 0 H ILE A 54 -2.042 -1.001 2.040 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.296 -2.903 0.191 1.00 0.00 H new ATOM 0 HB ILE A 54 0.059 -2.083 2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.520 -1.171 -0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.387 -0.274 1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.146 -2.933 1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.951 -4.230 2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.217 -3.553 0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.895 0.589 0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.629 -0.106 2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.550 -1.018 1.334 1.00 0.00 H new ATOM 891 N THR A 55 -1.619 -4.165 3.252 1.00 0.00 N ATOM 892 CA THR A 55 -1.827 -5.387 4.011 1.00 0.00 C ATOM 893 C THR A 55 -3.077 -6.124 3.536 1.00 0.00 C ATOM 894 O THR A 55 -3.073 -7.341 3.401 1.00 0.00 O ATOM 895 CB THR A 55 -1.959 -5.076 5.512 1.00 0.00 C ATOM 896 OG1 THR A 55 -1.032 -4.045 5.876 1.00 0.00 O ATOM 897 CG2 THR A 55 -1.683 -6.315 6.346 1.00 0.00 C ATOM 0 H THR A 55 -1.560 -3.322 3.824 1.00 0.00 H new ATOM 0 HA THR A 55 -0.959 -6.026 3.849 1.00 0.00 H new ATOM 0 HB THR A 55 -2.979 -4.743 5.704 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.342 -3.186 5.520 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.782 -6.071 7.404 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.397 -7.096 6.085 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.671 -6.669 6.148 1.00 0.00 H new ATOM 905 N ARG A 56 -4.133 -5.366 3.255 1.00 0.00 N ATOM 906 CA ARG A 56 -5.403 -5.934 2.813 1.00 0.00 C ATOM 907 C ARG A 56 -5.226 -6.740 1.524 1.00 0.00 C ATOM 908 O ARG A 56 -5.821 -7.807 1.357 1.00 0.00 O ATOM 909 CB ARG A 56 -6.429 -4.818 2.612 1.00 0.00 C ATOM 910 CG ARG A 56 -7.833 -5.315 2.321 1.00 0.00 C ATOM 911 CD ARG A 56 -8.832 -4.170 2.290 1.00 0.00 C ATOM 912 NE ARG A 56 -10.197 -4.650 2.111 1.00 0.00 N ATOM 913 CZ ARG A 56 -11.270 -4.081 2.661 1.00 0.00 C ATOM 914 NH1 ARG A 56 -11.144 -2.979 3.396 1.00 0.00 N ATOM 915 NH2 ARG A 56 -12.469 -4.615 2.468 1.00 0.00 N ATOM 0 H ARG A 56 -4.133 -4.349 3.326 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.765 -6.615 3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.453 -4.195 3.506 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.102 -4.182 1.789 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.845 -5.836 1.364 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.129 -6.038 3.081 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.764 -3.603 3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.577 -3.487 1.480 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.340 -5.474 1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.223 -2.565 3.541 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.968 -2.548 3.814 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.567 -5.457 1.901 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.293 -4.183 2.887 1.00 0.00 H new ATOM 929 N ILE A 57 -4.397 -6.231 0.617 1.00 0.00 N ATOM 930 CA ILE A 57 -4.104 -6.936 -0.625 1.00 0.00 C ATOM 931 C ILE A 57 -3.301 -8.203 -0.342 1.00 0.00 C ATOM 932 O ILE A 57 -3.566 -9.264 -0.914 1.00 0.00 O ATOM 933 CB ILE A 57 -3.313 -6.050 -1.615 1.00 0.00 C ATOM 934 CG1 ILE A 57 -4.098 -4.780 -1.947 1.00 0.00 C ATOM 935 CG2 ILE A 57 -2.988 -6.826 -2.887 1.00 0.00 C ATOM 936 CD1 ILE A 57 -3.350 -3.828 -2.857 1.00 0.00 C ATOM 0 H ILE A 57 -3.918 -5.336 0.719 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.061 -7.195 -1.079 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.376 -5.760 -1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.040 -5.058 -2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.347 -4.264 -1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.431 -6.186 -3.571 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.386 -7.700 -2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.914 -7.148 -3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.966 -2.950 -3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.421 -3.521 -2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.124 -4.327 -3.799 1.00 0.00 H new ATOM 948 N ILE A 58 -2.330 -8.084 0.553 1.00 0.00 N ATOM 949 CA ILE A 58 -1.463 -9.203 0.897 1.00 0.00 C ATOM 950 C ILE A 58 -2.256 -10.317 1.573 1.00 0.00 C ATOM 951 O ILE A 58 -2.109 -11.486 1.222 1.00 0.00 O ATOM 952 CB ILE A 58 -0.298 -8.770 1.813 1.00 0.00 C ATOM 953 CG1 ILE A 58 0.517 -7.647 1.162 1.00 0.00 C ATOM 954 CG2 ILE A 58 0.595 -9.960 2.124 1.00 0.00 C ATOM 955 CD1 ILE A 58 1.123 -8.030 -0.173 1.00 0.00 C ATOM 0 H ILE A 58 -2.122 -7.221 1.056 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.042 -9.575 -0.037 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.716 -8.391 2.746 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.125 -6.777 1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.315 -7.349 1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.413 -9.642 2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.012 -10.730 2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.002 -10.362 1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.685 -7.186 -0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.792 -8.880 -0.038 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.329 -8.300 -0.869 1.00 0.00 H new ATOM 967 N SER A 59 -3.105 -9.947 2.527 1.00 0.00 N ATOM 968 CA SER A 59 -3.964 -10.906 3.215 1.00 0.00 C ATOM 969 C SER A 59 -4.866 -11.636 2.218 1.00 0.00 C ATOM 970 O SER A 59 -5.123 -12.829 2.360 1.00 0.00 O ATOM 971 CB SER A 59 -4.825 -10.191 4.260 1.00 0.00 C ATOM 972 OG SER A 59 -4.037 -9.384 5.121 1.00 0.00 O ATOM 0 H SER A 59 -3.217 -8.984 2.843 1.00 0.00 H new ATOM 0 HA SER A 59 -3.327 -11.637 3.713 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.568 -9.571 3.758 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.370 -10.928 4.849 1.00 0.00 H new ATOM 0 HG SER A 59 -3.420 -9.952 5.628 1.00 0.00 H new ATOM 978 N GLN A 60 -5.335 -10.913 1.206 1.00 0.00 N ATOM 979 CA GLN A 60 -6.192 -11.491 0.175 1.00 0.00 C ATOM 980 C GLN A 60 -5.420 -12.508 -0.664 1.00 0.00 C ATOM 981 O GLN A 60 -5.966 -13.524 -1.091 1.00 0.00 O ATOM 982 CB GLN A 60 -6.746 -10.384 -0.722 1.00 0.00 C ATOM 983 CG GLN A 60 -7.745 -10.867 -1.764 1.00 0.00 C ATOM 984 CD GLN A 60 -8.211 -9.751 -2.678 1.00 0.00 C ATOM 985 OE1 GLN A 60 -8.553 -9.981 -3.839 1.00 0.00 O ATOM 986 NE2 GLN A 60 -8.227 -8.531 -2.162 1.00 0.00 N ATOM 0 H GLN A 60 -5.135 -9.921 1.077 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.020 -12.006 0.662 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -7.226 -9.631 -0.097 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.916 -9.894 -1.231 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.289 -11.656 -2.362 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.607 -11.305 -1.261 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.936 -8.382 -1.196 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -8.530 -7.741 -2.731 1.00 0.00 H new ATOM 995 N GLN A 61 -4.148 -12.216 -0.895 1.00 0.00 N ATOM 996 CA GLN A 61 -3.269 -13.092 -1.665 1.00 0.00 C ATOM 997 C GLN A 61 -2.856 -14.304 -0.831 1.00 0.00 C ATOM 998 O GLN A 61 -2.536 -15.366 -1.365 1.00 0.00 O ATOM 999 CB GLN A 61 -2.045 -12.281 -2.126 1.00 0.00 C ATOM 1000 CG GLN A 61 -0.975 -13.069 -2.878 1.00 0.00 C ATOM 1001 CD GLN A 61 0.055 -13.710 -1.960 1.00 0.00 C ATOM 1002 OE1 GLN A 61 0.638 -14.744 -2.288 1.00 0.00 O ATOM 1003 NE2 GLN A 61 0.285 -13.106 -0.802 1.00 0.00 N ATOM 0 H GLN A 61 -3.695 -11.368 -0.556 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.795 -13.470 -2.542 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.390 -11.469 -2.767 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.585 -11.823 -1.251 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.456 -13.846 -3.472 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.466 -12.404 -3.575 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.217 -12.251 -0.564 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.964 -13.497 -0.149 1.00 0.00 H new ATOM 1012 N LYS A 62 -2.891 -14.130 0.481 1.00 0.00 N ATOM 1013 CA LYS A 62 -2.450 -15.151 1.421 1.00 0.00 C ATOM 1014 C LYS A 62 -3.453 -16.302 1.487 1.00 0.00 C ATOM 1015 O LYS A 62 -3.172 -17.367 0.904 1.00 0.00 O ATOM 1016 CB LYS A 62 -2.256 -14.502 2.791 1.00 0.00 C ATOM 1017 CG LYS A 62 -1.686 -15.412 3.867 1.00 0.00 C ATOM 1018 CD LYS A 62 -1.290 -14.586 5.081 1.00 0.00 C ATOM 1019 CE LYS A 62 -0.803 -15.435 6.239 1.00 0.00 C ATOM 1020 NZ LYS A 62 -0.289 -14.587 7.348 1.00 0.00 N ATOM 1021 OXT LYS A 62 -4.526 -16.138 2.102 1.00 0.00 O ATOM 0 H LYS A 62 -3.226 -13.276 0.926 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.503 -15.575 1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.595 -13.643 2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.218 -14.121 3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.424 -16.162 4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.819 -15.948 3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.506 -13.884 4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.145 -13.994 5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.618 -16.060 6.603 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.016 -16.106 5.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.282 -15.137 8.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.678 -14.275 7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.904 -13.756 7.463 1.00 0.00 H new TER 1035 LYS A 62