USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 560 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 17 ASN : amide:sc= -7.88! C(o=-15!,f=-21!) USER MOD Set 1.2: B 17 ASN : amide:sc= -7.53! C(o=-15!,f=-21!) USER MOD Set 2.1: A 2 SER OG : rot -120:sc= 0.504 USER MOD Set 2.2: A 3 MET CE :methyl -131:sc= -0.259 (180deg=-1.2) USER MOD Set 2.3: B 2 SER OG : rot 139:sc= 0.662 USER MOD Set 2.4: B 3 MET CE :methyl -130:sc= -0.25 (180deg=-1.14) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0863 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -170:sc=-0.00135 (180deg=-0.0971) USER MOD Single : A 5 GLN : amide:sc= -0.0605 X(o=-0.06,f=-0.045) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.567 K(o=-0.57,f=0.14) USER MOD Single : A 22 ASN : amide:sc= 0.828 K(o=0.83,f=-0.78) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.141) USER MOD Single : B 1 GLY N :NH3+ -132:sc= 0.0881 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0872) USER MOD Single : B 5 GLN : amide:sc= -0.0953 X(o=-0.095,f=-0.075) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= -0.585 K(o=-0.58,f=0.14) USER MOD Single : B 22 ASN : amide:sc= 0.802 K(o=0.8,f=-0.82) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ -171:sc= -0.0279 (180deg=-0.167) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.914 -6.132 -2.415 1.00 0.00 N ATOM 2 CA GLY A 1 -25.398 -4.885 -1.800 1.00 0.00 C ATOM 3 C GLY A 1 -24.039 -4.513 -2.345 1.00 0.00 C ATOM 4 O GLY A 1 -23.581 -5.089 -3.333 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.885 -5.977 -2.752 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.308 -6.400 -3.216 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.911 -6.895 -1.708 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.099 -4.071 -1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.334 -5.012 -0.719 1.00 0.00 H new ATOM 10 N SER A 2 -23.386 -3.558 -1.705 1.00 0.00 N ATOM 11 CA SER A 2 -22.067 -3.117 -2.131 1.00 0.00 C ATOM 12 C SER A 2 -21.006 -3.471 -1.092 1.00 0.00 C ATOM 13 O SER A 2 -19.870 -3.002 -1.159 1.00 0.00 O ATOM 14 CB SER A 2 -22.090 -1.613 -2.375 1.00 0.00 C ATOM 15 OG SER A 2 -22.712 -0.950 -1.293 1.00 0.00 O ATOM 0 H SER A 2 -23.749 -3.071 -0.885 1.00 0.00 H new ATOM 0 HA SER A 2 -21.809 -3.631 -3.057 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.073 -1.243 -2.501 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.625 -1.396 -3.299 1.00 0.00 H new ATOM 0 HG SER A 2 -23.496 -0.459 -1.617 1.00 0.00 H new ATOM 21 N MET A 3 -21.379 -4.312 -0.138 1.00 0.00 N ATOM 22 CA MET A 3 -20.461 -4.722 0.918 1.00 0.00 C ATOM 23 C MET A 3 -19.326 -5.552 0.337 1.00 0.00 C ATOM 24 O MET A 3 -18.173 -5.411 0.734 1.00 0.00 O ATOM 25 CB MET A 3 -21.197 -5.516 2.000 1.00 0.00 C ATOM 26 CG MET A 3 -21.987 -4.664 2.994 1.00 0.00 C ATOM 27 SD MET A 3 -23.238 -3.610 2.228 1.00 0.00 S ATOM 28 CE MET A 3 -22.319 -2.088 1.985 1.00 0.00 C ATOM 0 H MET A 3 -22.310 -4.724 -0.072 1.00 0.00 H new ATOM 0 HA MET A 3 -20.044 -3.825 1.375 1.00 0.00 H new ATOM 0 HB2 MET A 3 -21.881 -6.214 1.517 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.470 -6.112 2.551 1.00 0.00 H new ATOM 0 HG2 MET A 3 -22.473 -5.322 3.715 1.00 0.00 H new ATOM 0 HG3 MET A 3 -21.292 -4.038 3.553 1.00 0.00 H new ATOM 0 HE1 MET A 3 -22.901 -1.247 2.364 1.00 0.00 H new ATOM 0 HE2 MET A 3 -21.372 -2.145 2.522 1.00 0.00 H new ATOM 0 HE3 MET A 3 -22.126 -1.946 0.922 1.00 0.00 H new ATOM 38 N LYS A 4 -19.658 -6.396 -0.631 1.00 0.00 N ATOM 39 CA LYS A 4 -18.667 -7.215 -1.319 1.00 0.00 C ATOM 40 C LYS A 4 -17.861 -6.368 -2.299 1.00 0.00 C ATOM 41 O LYS A 4 -16.912 -6.841 -2.904 1.00 0.00 O ATOM 42 CB LYS A 4 -19.342 -8.364 -2.067 1.00 0.00 C ATOM 43 CG LYS A 4 -20.030 -9.370 -1.161 1.00 0.00 C ATOM 44 CD LYS A 4 -20.755 -10.430 -1.973 1.00 0.00 C ATOM 45 CE LYS A 4 -21.436 -11.455 -1.083 1.00 0.00 C ATOM 46 NZ LYS A 4 -20.457 -12.270 -0.320 1.00 0.00 N ATOM 0 H LYS A 4 -20.614 -6.532 -0.960 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.993 -7.630 -0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -20.076 -7.952 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.594 -8.883 -2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.293 -9.845 -0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.739 -8.855 -0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -21.498 -9.953 -2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -20.045 -10.933 -2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -22.103 -10.945 -0.388 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -22.055 -12.111 -1.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.949 -13.062 0.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.734 -12.642 -0.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.001 -11.678 0.403 1.00 0.00 H new ATOM 60 N GLN A 5 -18.245 -5.111 -2.436 1.00 0.00 N ATOM 61 CA GLN A 5 -17.570 -4.187 -3.331 1.00 0.00 C ATOM 62 C GLN A 5 -16.595 -3.356 -2.519 1.00 0.00 C ATOM 63 O GLN A 5 -15.465 -3.117 -2.938 1.00 0.00 O ATOM 64 CB GLN A 5 -18.581 -3.286 -4.046 1.00 0.00 C ATOM 65 CG GLN A 5 -19.623 -4.049 -4.853 1.00 0.00 C ATOM 66 CD GLN A 5 -19.017 -4.862 -5.981 1.00 0.00 C ATOM 67 OE1 GLN A 5 -18.844 -4.367 -7.095 1.00 0.00 O ATOM 68 NE2 GLN A 5 -18.702 -6.116 -5.706 1.00 0.00 N ATOM 0 H GLN A 5 -19.032 -4.703 -1.931 1.00 0.00 H new ATOM 0 HA GLN A 5 -17.031 -4.746 -4.096 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.090 -2.668 -3.306 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -18.044 -2.610 -4.711 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -20.174 -4.714 -4.188 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -20.343 -3.343 -5.267 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -18.861 -6.488 -4.770 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -18.300 -6.711 -6.430 1.00 0.00 H new ATOM 77 N LEU A 6 -17.047 -2.939 -1.337 1.00 0.00 N ATOM 78 CA LEU A 6 -16.158 -2.355 -0.343 1.00 0.00 C ATOM 79 C LEU A 6 -15.062 -3.363 -0.039 1.00 0.00 C ATOM 80 O LEU A 6 -13.884 -3.101 -0.253 1.00 0.00 O ATOM 81 CB LEU A 6 -16.914 -2.018 0.967 1.00 0.00 C ATOM 82 CG LEU A 6 -17.255 -0.546 1.238 1.00 0.00 C ATOM 83 CD1 LEU A 6 -18.749 -0.307 1.131 1.00 0.00 C ATOM 84 CD2 LEU A 6 -16.754 -0.141 2.616 1.00 0.00 C ATOM 0 H LEU A 6 -18.023 -2.996 -1.048 1.00 0.00 H new ATOM 0 HA LEU A 6 -15.745 -1.428 -0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -17.846 -2.584 0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -16.316 -2.383 1.802 1.00 0.00 H new ATOM 0 HG LEU A 6 -16.759 0.066 0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -18.964 0.743 1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -19.088 -0.566 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -19.270 -0.927 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -17.000 0.905 2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -17.229 -0.764 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -15.673 -0.273 2.663 1.00 0.00 H new ATOM 96 N GLU A 7 -15.477 -4.551 0.401 1.00 0.00 N ATOM 97 CA GLU A 7 -14.537 -5.604 0.764 1.00 0.00 C ATOM 98 C GLU A 7 -13.618 -5.957 -0.398 1.00 0.00 C ATOM 99 O GLU A 7 -12.451 -6.286 -0.191 1.00 0.00 O ATOM 100 CB GLU A 7 -15.277 -6.860 1.228 1.00 0.00 C ATOM 101 CG GLU A 7 -16.032 -6.683 2.533 1.00 0.00 C ATOM 102 CD GLU A 7 -16.748 -7.949 2.960 1.00 0.00 C ATOM 103 OE1 GLU A 7 -17.838 -8.223 2.417 1.00 0.00 O ATOM 104 OE2 GLU A 7 -16.218 -8.665 3.835 1.00 0.00 O ATOM 0 H GLU A 7 -16.458 -4.805 0.514 1.00 0.00 H new ATOM 0 HA GLU A 7 -13.929 -5.222 1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.979 -7.163 0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.558 -7.672 1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.335 -6.381 3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.758 -5.877 2.424 1.00 0.00 H new ATOM 111 N ASP A 8 -14.133 -5.889 -1.623 1.00 0.00 N ATOM 112 CA ASP A 8 -13.318 -6.263 -2.781 1.00 0.00 C ATOM 113 C ASP A 8 -12.323 -5.175 -3.156 1.00 0.00 C ATOM 114 O ASP A 8 -11.136 -5.452 -3.334 1.00 0.00 O ATOM 115 CB ASP A 8 -14.180 -6.610 -3.992 1.00 0.00 C ATOM 116 CG ASP A 8 -14.294 -8.107 -4.206 1.00 0.00 C ATOM 117 OD1 ASP A 8 -13.666 -8.617 -5.159 1.00 0.00 O ATOM 118 OD2 ASP A 8 -14.998 -8.772 -3.418 1.00 0.00 O ATOM 0 H ASP A 8 -15.083 -5.588 -1.839 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.760 -7.151 -2.483 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.176 -6.187 -3.860 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.754 -6.149 -4.883 1.00 0.00 H new ATOM 123 N LYS A 9 -12.798 -3.942 -3.266 1.00 0.00 N ATOM 124 CA LYS A 9 -11.965 -2.854 -3.762 1.00 0.00 C ATOM 125 C LYS A 9 -10.941 -2.419 -2.715 1.00 0.00 C ATOM 126 O LYS A 9 -9.794 -2.119 -3.051 1.00 0.00 O ATOM 127 CB LYS A 9 -12.836 -1.667 -4.193 1.00 0.00 C ATOM 128 CG LYS A 9 -12.073 -0.565 -4.916 1.00 0.00 C ATOM 129 CD LYS A 9 -12.985 0.587 -5.307 1.00 0.00 C ATOM 130 CE LYS A 9 -12.211 1.685 -6.018 1.00 0.00 C ATOM 131 NZ LYS A 9 -13.092 2.802 -6.444 1.00 0.00 N ATOM 0 H LYS A 9 -13.750 -3.670 -3.020 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.417 -3.218 -4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.631 -2.031 -4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.316 -1.243 -3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.274 -0.195 -4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.601 -0.975 -5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.780 0.220 -5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.463 0.994 -4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.435 2.068 -5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.708 1.267 -6.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.524 3.529 -6.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.818 2.442 -7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.553 3.218 -5.610 1.00 0.00 H new ATOM 145 N VAL A 10 -11.345 -2.399 -1.449 1.00 0.00 N ATOM 146 CA VAL A 10 -10.437 -2.015 -0.373 1.00 0.00 C ATOM 147 C VAL A 10 -9.310 -3.037 -0.248 1.00 0.00 C ATOM 148 O VAL A 10 -8.134 -2.684 -0.262 1.00 0.00 O ATOM 149 CB VAL A 10 -11.152 -1.901 0.995 1.00 0.00 C ATOM 150 CG1 VAL A 10 -10.192 -1.407 2.056 1.00 0.00 C ATOM 151 CG2 VAL A 10 -12.357 -0.982 0.933 1.00 0.00 C ATOM 0 H VAL A 10 -12.287 -2.642 -1.144 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.042 -1.033 -0.634 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.503 -2.900 1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.712 -1.333 3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.361 -2.106 2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.811 -0.426 1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.827 -0.932 1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.038 0.016 0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.072 -1.369 0.207 1.00 0.00 H new ATOM 161 N GLU A 11 -9.679 -4.313 -0.160 1.00 0.00 N ATOM 162 CA GLU A 11 -8.703 -5.382 0.021 1.00 0.00 C ATOM 163 C GLU A 11 -7.830 -5.536 -1.229 1.00 0.00 C ATOM 164 O GLU A 11 -6.760 -6.141 -1.182 1.00 0.00 O ATOM 165 CB GLU A 11 -9.420 -6.697 0.339 1.00 0.00 C ATOM 166 CG GLU A 11 -8.490 -7.835 0.724 1.00 0.00 C ATOM 167 CD GLU A 11 -9.238 -9.119 1.017 1.00 0.00 C ATOM 168 OE1 GLU A 11 -9.537 -9.377 2.202 1.00 0.00 O ATOM 169 OE2 GLU A 11 -9.524 -9.865 0.058 1.00 0.00 O ATOM 0 H GLU A 11 -10.647 -4.631 -0.211 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.054 -5.123 0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.124 -6.526 1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.005 -6.999 -0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.779 -8.008 -0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.911 -7.547 1.602 1.00 0.00 H new ATOM 176 N GLU A 12 -8.286 -4.974 -2.342 1.00 0.00 N ATOM 177 CA GLU A 12 -7.500 -4.960 -3.565 1.00 0.00 C ATOM 178 C GLU A 12 -6.266 -4.098 -3.351 1.00 0.00 C ATOM 179 O GLU A 12 -5.152 -4.477 -3.715 1.00 0.00 O ATOM 180 CB GLU A 12 -8.330 -4.418 -4.735 1.00 0.00 C ATOM 181 CG GLU A 12 -7.608 -4.456 -6.073 1.00 0.00 C ATOM 182 CD GLU A 12 -7.224 -5.862 -6.493 1.00 0.00 C ATOM 183 OE1 GLU A 12 -8.084 -6.568 -7.059 1.00 0.00 O ATOM 184 OE2 GLU A 12 -6.061 -6.254 -6.260 1.00 0.00 O ATOM 0 H GLU A 12 -9.197 -4.522 -2.421 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.198 -5.978 -3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.250 -4.997 -4.813 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.618 -3.389 -4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.247 -4.015 -6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.710 -3.841 -6.014 1.00 0.00 H new ATOM 191 N LEU A 13 -6.474 -2.943 -2.737 1.00 0.00 N ATOM 192 CA LEU A 13 -5.365 -2.081 -2.371 1.00 0.00 C ATOM 193 C LEU A 13 -4.594 -2.685 -1.209 1.00 0.00 C ATOM 194 O LEU A 13 -3.395 -2.466 -1.076 1.00 0.00 O ATOM 195 CB LEU A 13 -5.851 -0.680 -2.010 1.00 0.00 C ATOM 196 CG LEU A 13 -6.427 0.128 -3.172 1.00 0.00 C ATOM 197 CD1 LEU A 13 -6.768 1.529 -2.710 1.00 0.00 C ATOM 198 CD2 LEU A 13 -5.446 0.182 -4.333 1.00 0.00 C ATOM 0 H LEU A 13 -7.395 -2.584 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.703 -1.997 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.613 -0.765 -1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.019 -0.124 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.336 -0.365 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.178 2.098 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.505 1.479 -1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.867 2.021 -2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.878 0.762 -5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.519 0.652 -4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.236 -0.830 -4.680 1.00 0.00 H new ATOM 210 N LEU A 14 -5.291 -3.457 -0.382 1.00 0.00 N ATOM 211 CA LEU A 14 -4.662 -4.166 0.728 1.00 0.00 C ATOM 212 C LEU A 14 -3.671 -5.198 0.201 1.00 0.00 C ATOM 213 O LEU A 14 -2.682 -5.530 0.855 1.00 0.00 O ATOM 214 CB LEU A 14 -5.719 -4.864 1.580 1.00 0.00 C ATOM 215 CG LEU A 14 -5.261 -5.274 2.979 1.00 0.00 C ATOM 216 CD1 LEU A 14 -4.988 -4.044 3.825 1.00 0.00 C ATOM 217 CD2 LEU A 14 -6.303 -6.158 3.644 1.00 0.00 C ATOM 0 H LEU A 14 -6.297 -3.608 -0.460 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.131 -3.439 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.580 -4.202 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.059 -5.754 1.051 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.337 -5.844 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.663 -4.351 4.819 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.207 -3.446 3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.898 -3.450 3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.959 -6.440 4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.244 -5.613 3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.455 -7.056 3.045 1.00 0.00 H new ATOM 229 N SER A 15 -3.956 -5.691 -0.993 1.00 0.00 N ATOM 230 CA SER A 15 -3.098 -6.646 -1.663 1.00 0.00 C ATOM 231 C SER A 15 -1.784 -5.976 -2.034 1.00 0.00 C ATOM 232 O SER A 15 -0.706 -6.506 -1.760 1.00 0.00 O ATOM 233 CB SER A 15 -3.793 -7.202 -2.912 1.00 0.00 C ATOM 234 OG SER A 15 -2.975 -8.143 -3.589 1.00 0.00 O ATOM 0 H SER A 15 -4.790 -5.438 -1.523 1.00 0.00 H new ATOM 0 HA SER A 15 -2.893 -7.479 -0.990 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.733 -7.675 -2.626 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.041 -6.382 -3.587 1.00 0.00 H new ATOM 0 HG SER A 15 -3.448 -8.479 -4.379 1.00 0.00 H new ATOM 240 N LYS A 16 -1.864 -4.793 -2.636 1.00 0.00 N ATOM 241 CA LYS A 16 -0.653 -4.062 -2.958 1.00 0.00 C ATOM 242 C LYS A 16 -0.052 -3.453 -1.697 1.00 0.00 C ATOM 243 O LYS A 16 1.149 -3.236 -1.637 1.00 0.00 O ATOM 244 CB LYS A 16 -0.871 -3.002 -4.046 1.00 0.00 C ATOM 245 CG LYS A 16 -1.853 -1.904 -3.688 1.00 0.00 C ATOM 246 CD LYS A 16 -2.003 -0.903 -4.824 1.00 0.00 C ATOM 247 CE LYS A 16 -0.711 -0.138 -5.082 1.00 0.00 C ATOM 248 NZ LYS A 16 -0.812 0.732 -6.281 1.00 0.00 N ATOM 0 H LYS A 16 -2.734 -4.333 -2.903 1.00 0.00 H new ATOM 0 HA LYS A 16 0.057 -4.777 -3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.090 -2.545 -4.284 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.220 -3.499 -4.951 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.824 -2.343 -3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.514 -1.389 -2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.302 -1.427 -5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.800 -0.199 -4.585 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.470 0.471 -4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.109 -0.844 -5.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.087 1.235 -6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.017 0.148 -7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.577 1.423 -6.145 1.00 0.00 H new ATOM 262 N ASN A 17 -0.885 -3.192 -0.684 1.00 0.00 N ATOM 263 CA ASN A 17 -0.379 -2.853 0.648 1.00 0.00 C ATOM 264 C ASN A 17 0.570 -3.941 1.093 1.00 0.00 C ATOM 265 O ASN A 17 1.675 -3.668 1.554 1.00 0.00 O ATOM 266 CB ASN A 17 -1.501 -2.745 1.688 1.00 0.00 C ATOM 267 CG ASN A 17 -2.311 -1.471 1.594 1.00 0.00 C ATOM 268 OD1 ASN A 17 -3.509 -1.473 1.845 1.00 0.00 O ATOM 269 ND2 ASN A 17 -1.665 -0.367 1.273 1.00 0.00 N ATOM 0 H ASN A 17 -1.902 -3.209 -0.760 1.00 0.00 H new ATOM 0 HA ASN A 17 0.115 -1.884 0.578 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.171 -3.598 1.574 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.065 -2.813 2.685 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.164 0.521 1.228 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.666 -0.401 1.070 1.00 0.00 H new ATOM 276 N TYR A 18 0.124 -5.185 0.931 1.00 0.00 N ATOM 277 CA TYR A 18 0.938 -6.335 1.293 1.00 0.00 C ATOM 278 C TYR A 18 2.214 -6.371 0.453 1.00 0.00 C ATOM 279 O TYR A 18 3.304 -6.590 0.977 1.00 0.00 O ATOM 280 CB TYR A 18 0.143 -7.632 1.115 1.00 0.00 C ATOM 281 CG TYR A 18 0.854 -8.857 1.648 1.00 0.00 C ATOM 282 CD1 TYR A 18 1.294 -9.861 0.795 1.00 0.00 C ATOM 283 CD2 TYR A 18 1.089 -9.002 3.008 1.00 0.00 C ATOM 284 CE1 TYR A 18 1.952 -10.974 1.287 1.00 0.00 C ATOM 285 CE2 TYR A 18 1.743 -10.111 3.505 1.00 0.00 C ATOM 286 CZ TYR A 18 2.172 -11.094 2.643 1.00 0.00 C ATOM 287 OH TYR A 18 2.831 -12.197 3.140 1.00 0.00 O ATOM 0 H TYR A 18 -0.794 -5.418 0.552 1.00 0.00 H new ATOM 0 HA TYR A 18 1.217 -6.243 2.343 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.818 -7.531 1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.067 -7.777 0.055 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.120 -9.772 -0.267 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.754 -8.234 3.689 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.292 -11.746 0.612 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.917 -10.207 4.566 1.00 0.00 H new ATOM 0 HH TYR A 18 2.903 -12.123 4.115 1.00 0.00 H new ATOM 297 N HIS A 19 2.071 -6.127 -0.847 1.00 0.00 N ATOM 298 CA HIS A 19 3.211 -6.128 -1.763 1.00 0.00 C ATOM 299 C HIS A 19 4.225 -5.046 -1.397 1.00 0.00 C ATOM 300 O HIS A 19 5.406 -5.335 -1.226 1.00 0.00 O ATOM 301 CB HIS A 19 2.751 -5.934 -3.211 1.00 0.00 C ATOM 302 CG HIS A 19 2.228 -7.181 -3.858 1.00 0.00 C ATOM 303 ND1 HIS A 19 2.722 -7.672 -5.047 1.00 0.00 N ATOM 304 CD2 HIS A 19 1.242 -8.032 -3.488 1.00 0.00 C ATOM 305 CE1 HIS A 19 2.066 -8.768 -5.378 1.00 0.00 C ATOM 306 NE2 HIS A 19 1.163 -9.008 -4.448 1.00 0.00 N ATOM 0 H HIS A 19 1.175 -5.926 -1.292 1.00 0.00 H new ATOM 0 HA HIS A 19 3.695 -7.100 -1.671 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.973 -5.171 -3.235 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.587 -5.555 -3.799 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.631 -7.956 -2.601 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.239 -9.366 -6.260 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.511 -9.793 -4.443 1.00 0.00 H new ATOM 315 N LEU A 20 3.755 -3.807 -1.266 1.00 0.00 N ATOM 316 CA LEU A 20 4.624 -2.674 -0.938 1.00 0.00 C ATOM 317 C LEU A 20 5.301 -2.918 0.392 1.00 0.00 C ATOM 318 O LEU A 20 6.499 -2.707 0.536 1.00 0.00 O ATOM 319 CB LEU A 20 3.828 -1.367 -0.851 1.00 0.00 C ATOM 320 CG LEU A 20 2.922 -1.066 -2.031 1.00 0.00 C ATOM 321 CD1 LEU A 20 2.359 0.341 -1.952 1.00 0.00 C ATOM 322 CD2 LEU A 20 3.644 -1.286 -3.353 1.00 0.00 C ATOM 0 H LEU A 20 2.772 -3.560 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 20 5.365 -2.583 -1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.219 -1.394 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.531 -0.542 -0.737 1.00 0.00 H new ATOM 0 HG LEU A 20 2.086 -1.764 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.715 0.524 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.780 0.450 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.177 1.061 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.968 -1.062 -4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.513 -0.630 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.969 -2.324 -3.422 1.00 0.00 H new ATOM 334 N GLU A 21 4.514 -3.365 1.358 1.00 0.00 N ATOM 335 CA GLU A 21 5.037 -3.703 2.681 1.00 0.00 C ATOM 336 C GLU A 21 6.177 -4.713 2.581 1.00 0.00 C ATOM 337 O GLU A 21 7.199 -4.567 3.255 1.00 0.00 O ATOM 338 CB GLU A 21 3.932 -4.245 3.589 1.00 0.00 C ATOM 339 CG GLU A 21 3.250 -3.177 4.430 1.00 0.00 C ATOM 340 CD GLU A 21 4.204 -2.494 5.394 1.00 0.00 C ATOM 341 OE1 GLU A 21 4.336 -2.977 6.539 1.00 0.00 O ATOM 342 OE2 GLU A 21 4.817 -1.479 5.004 1.00 0.00 O ATOM 0 H GLU A 21 3.509 -3.504 1.255 1.00 0.00 H new ATOM 0 HA GLU A 21 5.427 -2.785 3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.182 -4.744 2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.356 -5.000 4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.808 -2.429 3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.433 -3.630 4.993 1.00 0.00 H new ATOM 349 N ASN A 22 6.004 -5.726 1.737 1.00 0.00 N ATOM 350 CA ASN A 22 7.058 -6.708 1.499 1.00 0.00 C ATOM 351 C ASN A 22 8.254 -6.047 0.830 1.00 0.00 C ATOM 352 O ASN A 22 9.405 -6.339 1.163 1.00 0.00 O ATOM 353 CB ASN A 22 6.566 -7.861 0.618 1.00 0.00 C ATOM 354 CG ASN A 22 5.504 -8.716 1.279 1.00 0.00 C ATOM 355 OD1 ASN A 22 5.447 -8.835 2.505 1.00 0.00 O ATOM 356 ND2 ASN A 22 4.660 -9.333 0.467 1.00 0.00 N ATOM 0 H ASN A 22 5.147 -5.888 1.208 1.00 0.00 H new ATOM 0 HA ASN A 22 7.350 -7.111 2.468 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.167 -7.453 -0.311 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.414 -8.491 0.351 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.929 -9.933 0.851 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.740 -9.209 -0.542 1.00 0.00 H new ATOM 363 N GLU A 23 7.974 -5.157 -0.118 1.00 0.00 N ATOM 364 CA GLU A 23 9.028 -4.459 -0.844 1.00 0.00 C ATOM 365 C GLU A 23 9.847 -3.587 0.100 1.00 0.00 C ATOM 366 O GLU A 23 11.078 -3.623 0.078 1.00 0.00 O ATOM 367 CB GLU A 23 8.442 -3.601 -1.968 1.00 0.00 C ATOM 368 CG GLU A 23 7.683 -4.399 -3.018 1.00 0.00 C ATOM 369 CD GLU A 23 8.535 -5.473 -3.666 1.00 0.00 C ATOM 370 OE1 GLU A 23 9.390 -5.123 -4.506 1.00 0.00 O ATOM 371 OE2 GLU A 23 8.340 -6.662 -3.340 1.00 0.00 O ATOM 0 H GLU A 23 7.027 -4.903 -0.400 1.00 0.00 H new ATOM 0 HA GLU A 23 9.682 -5.211 -1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.772 -2.859 -1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.250 -3.055 -2.454 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.811 -4.862 -2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.314 -3.721 -3.787 1.00 0.00 H new ATOM 378 N VAL A 24 9.156 -2.818 0.936 1.00 0.00 N ATOM 379 CA VAL A 24 9.822 -1.938 1.886 1.00 0.00 C ATOM 380 C VAL A 24 10.664 -2.754 2.864 1.00 0.00 C ATOM 381 O VAL A 24 11.809 -2.412 3.136 1.00 0.00 O ATOM 382 CB VAL A 24 8.821 -1.069 2.692 1.00 0.00 C ATOM 383 CG1 VAL A 24 9.564 -0.084 3.580 1.00 0.00 C ATOM 384 CG2 VAL A 24 7.875 -0.320 1.770 1.00 0.00 C ATOM 0 H VAL A 24 8.137 -2.787 0.974 1.00 0.00 H new ATOM 0 HA VAL A 24 10.457 -1.272 1.301 1.00 0.00 H new ATOM 0 HB VAL A 24 8.232 -1.739 3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.846 0.517 4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.199 -0.630 4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.181 0.569 2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.186 0.280 2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.449 0.332 1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.310 -1.034 1.171 1.00 0.00 H new ATOM 394 N ALA A 25 10.091 -3.846 3.368 1.00 0.00 N ATOM 395 CA ALA A 25 10.773 -4.700 4.339 1.00 0.00 C ATOM 396 C ALA A 25 12.069 -5.264 3.764 1.00 0.00 C ATOM 397 O ALA A 25 13.117 -5.223 4.413 1.00 0.00 O ATOM 398 CB ALA A 25 9.856 -5.832 4.785 1.00 0.00 C ATOM 0 H ALA A 25 9.153 -4.161 3.119 1.00 0.00 H new ATOM 0 HA ALA A 25 11.026 -4.088 5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.378 -6.459 5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.961 -5.415 5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.573 -6.433 3.921 1.00 0.00 H new ATOM 404 N ARG A 26 11.989 -5.783 2.544 1.00 0.00 N ATOM 405 CA ARG A 26 13.160 -6.313 1.853 1.00 0.00 C ATOM 406 C ARG A 26 14.213 -5.228 1.687 1.00 0.00 C ATOM 407 O ARG A 26 15.378 -5.417 2.039 1.00 0.00 O ATOM 408 CB ARG A 26 12.757 -6.873 0.484 1.00 0.00 C ATOM 409 CG ARG A 26 13.924 -7.400 -0.337 1.00 0.00 C ATOM 410 CD ARG A 26 14.633 -8.547 0.365 1.00 0.00 C ATOM 411 NE ARG A 26 15.833 -8.970 -0.355 1.00 0.00 N ATOM 412 CZ ARG A 26 16.844 -9.629 0.210 1.00 0.00 C ATOM 413 NH1 ARG A 26 16.777 -9.986 1.488 1.00 0.00 N ATOM 414 NH2 ARG A 26 17.920 -9.942 -0.505 1.00 0.00 N ATOM 0 H ARG A 26 11.122 -5.848 2.011 1.00 0.00 H new ATOM 0 HA ARG A 26 13.583 -7.119 2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.036 -7.678 0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.251 -6.091 -0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.563 -7.736 -1.309 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.633 -6.593 -0.522 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.905 -8.241 1.375 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.950 -9.391 0.460 1.00 0.00 H new ATOM 0 HE ARG A 26 15.900 -8.748 -1.348 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.950 -9.756 2.039 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.552 -10.490 1.918 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.973 -9.678 -1.489 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.692 -10.446 -0.070 1.00 0.00 H new ATOM 428 N LEU A 27 13.784 -4.086 1.176 1.00 0.00 N ATOM 429 CA LEU A 27 14.676 -2.963 0.938 1.00 0.00 C ATOM 430 C LEU A 27 15.274 -2.435 2.240 1.00 0.00 C ATOM 431 O LEU A 27 16.426 -2.014 2.266 1.00 0.00 O ATOM 432 CB LEU A 27 13.929 -1.846 0.216 1.00 0.00 C ATOM 433 CG LEU A 27 13.987 -1.868 -1.318 1.00 0.00 C ATOM 434 CD1 LEU A 27 13.737 -3.262 -1.872 1.00 0.00 C ATOM 435 CD2 LEU A 27 12.971 -0.899 -1.890 1.00 0.00 C ATOM 0 H LEU A 27 12.813 -3.911 0.916 1.00 0.00 H new ATOM 0 HA LEU A 27 15.496 -3.315 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.883 -1.883 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.327 -0.891 0.559 1.00 0.00 H new ATOM 0 HG LEU A 27 14.991 -1.565 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.786 -3.235 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.495 -3.946 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.750 -3.605 -1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.020 -0.922 -2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.971 -1.187 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.191 0.109 -1.538 1.00 0.00 H new ATOM 447 N LYS A 28 14.497 -2.468 3.317 1.00 0.00 N ATOM 448 CA LYS A 28 14.969 -2.008 4.622 1.00 0.00 C ATOM 449 C LYS A 28 16.191 -2.794 5.080 1.00 0.00 C ATOM 450 O LYS A 28 17.113 -2.231 5.669 1.00 0.00 O ATOM 451 CB LYS A 28 13.860 -2.116 5.673 1.00 0.00 C ATOM 452 CG LYS A 28 12.899 -0.937 5.676 1.00 0.00 C ATOM 453 CD LYS A 28 13.588 0.335 6.146 1.00 0.00 C ATOM 454 CE LYS A 28 12.647 1.527 6.114 1.00 0.00 C ATOM 455 NZ LYS A 28 13.273 2.741 6.698 1.00 0.00 N ATOM 0 H LYS A 28 13.536 -2.809 3.314 1.00 0.00 H new ATOM 0 HA LYS A 28 15.253 -0.961 4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.296 -3.032 5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 28 14.315 -2.204 6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.500 -0.788 4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.052 -1.156 6.327 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.962 0.193 7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.452 0.536 5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.352 1.730 5.084 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.737 1.287 6.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.599 3.532 6.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.531 2.556 7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.127 2.985 6.157 1.00 0.00 H new ATOM 469 N LYS A 29 16.202 -4.091 4.804 1.00 0.00 N ATOM 470 CA LYS A 29 17.331 -4.939 5.168 1.00 0.00 C ATOM 471 C LYS A 29 18.519 -4.655 4.258 1.00 0.00 C ATOM 472 O LYS A 29 19.678 -4.825 4.646 1.00 0.00 O ATOM 473 CB LYS A 29 16.948 -6.415 5.063 1.00 0.00 C ATOM 474 CG LYS A 29 15.759 -6.807 5.922 1.00 0.00 C ATOM 475 CD LYS A 29 15.470 -8.294 5.809 1.00 0.00 C ATOM 476 CE LYS A 29 14.236 -8.690 6.603 1.00 0.00 C ATOM 477 NZ LYS A 29 14.379 -8.380 8.051 1.00 0.00 N ATOM 0 H LYS A 29 15.443 -4.580 4.330 1.00 0.00 H new ATOM 0 HA LYS A 29 17.607 -4.717 6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.724 -6.648 4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.806 -7.024 5.349 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.958 -6.550 6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.881 -6.238 5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.328 -8.558 4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.330 -8.860 6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.366 -8.167 6.205 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.052 -9.757 6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.586 -8.801 8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.275 -8.773 8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.376 -7.349 8.187 1.00 0.00 H new ATOM 491 N LEU A 30 18.215 -4.197 3.057 1.00 0.00 N ATOM 492 CA LEU A 30 19.223 -3.973 2.035 1.00 0.00 C ATOM 493 C LEU A 30 19.857 -2.594 2.187 1.00 0.00 C ATOM 494 O LEU A 30 21.035 -2.405 1.886 1.00 0.00 O ATOM 495 CB LEU A 30 18.598 -4.141 0.657 1.00 0.00 C ATOM 496 CG LEU A 30 18.052 -5.544 0.379 1.00 0.00 C ATOM 497 CD1 LEU A 30 17.127 -5.524 -0.817 1.00 0.00 C ATOM 498 CD2 LEU A 30 19.184 -6.535 0.151 1.00 0.00 C ATOM 0 H LEU A 30 17.265 -3.970 2.763 1.00 0.00 H new ATOM 0 HA LEU A 30 20.017 -4.710 2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 30 17.787 -3.420 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.344 -3.898 -0.099 1.00 0.00 H new ATOM 0 HG LEU A 30 17.488 -5.865 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.748 -6.529 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.292 -4.852 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.673 -5.177 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.768 -7.524 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 30 19.780 -6.216 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 30 19.816 -6.576 1.038 1.00 0.00 H new ATOM 510 N VAL A 31 19.069 -1.630 2.648 1.00 0.00 N ATOM 511 CA VAL A 31 19.597 -0.320 3.007 1.00 0.00 C ATOM 512 C VAL A 31 20.268 -0.413 4.372 1.00 0.00 C ATOM 513 O VAL A 31 21.212 0.322 4.676 1.00 0.00 O ATOM 514 CB VAL A 31 18.487 0.759 3.059 1.00 0.00 C ATOM 515 CG1 VAL A 31 19.066 2.123 3.402 1.00 0.00 C ATOM 516 CG2 VAL A 31 17.735 0.824 1.743 1.00 0.00 C ATOM 0 H VAL A 31 18.063 -1.731 2.782 1.00 0.00 H new ATOM 0 HA VAL A 31 20.314 -0.025 2.241 1.00 0.00 H new ATOM 0 HB VAL A 31 17.787 0.476 3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.265 2.861 3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.553 2.077 4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.795 2.410 2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 31 16.961 1.589 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 31 18.428 1.073 0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.275 -0.143 1.539 1.00 0.00 H new ATOM 526 N GLY A 32 19.770 -1.344 5.176 1.00 0.00 N ATOM 527 CA GLY A 32 20.297 -1.561 6.504 1.00 0.00 C ATOM 528 C GLY A 32 21.717 -2.089 6.489 1.00 0.00 C ATOM 529 O GLY A 32 22.638 -1.426 6.969 1.00 0.00 O ATOM 0 H GLY A 32 18.998 -1.960 4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 32 20.268 -0.624 7.060 1.00 0.00 H new ATOM 0 HA3 GLY A 32 19.657 -2.266 7.034 1.00 0.00 H new ATOM 533 N GLU A 33 21.901 -3.277 5.933 1.00 0.00 N ATOM 534 CA GLU A 33 23.211 -3.907 5.904 1.00 0.00 C ATOM 535 C GLU A 33 23.542 -4.407 4.499 1.00 0.00 C ATOM 536 O GLU A 33 24.064 -3.607 3.692 1.00 0.00 O ATOM 537 CB GLU A 33 23.272 -5.048 6.928 1.00 0.00 C ATOM 538 CG GLU A 33 22.068 -5.980 6.891 1.00 0.00 C ATOM 539 CD GLU A 33 22.158 -7.092 7.915 1.00 0.00 C ATOM 540 OE1 GLU A 33 22.879 -8.078 7.656 1.00 0.00 O ATOM 541 OE2 GLU A 33 21.506 -6.978 8.973 1.00 0.00 O ATOM 542 OXT GLU A 33 23.287 -5.593 4.202 1.00 0.00 O ATOM 0 H GLU A 33 21.159 -3.824 5.496 1.00 0.00 H new ATOM 0 HA GLU A 33 23.962 -3.164 6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 33 24.176 -5.632 6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 33 23.357 -4.621 7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 33 21.161 -5.402 7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 33 21.981 -6.415 5.895 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 -25.955 6.305 1.344 1.00 0.00 N ATOM 551 CA GLY B 1 -25.427 5.061 0.734 1.00 0.00 C ATOM 552 C GLY B 1 -24.098 4.664 1.332 1.00 0.00 C ATOM 553 O GLY B 1 -23.687 5.211 2.355 1.00 0.00 O ATOM 0 H1 GLY B 1 -26.952 6.167 1.605 1.00 0.00 H new ATOM 0 H2 GLY B 1 -25.403 6.536 2.195 1.00 0.00 H new ATOM 0 H3 GLY B 1 -25.881 7.085 0.661 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -26.145 4.253 0.876 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -25.314 5.203 -0.341 1.00 0.00 H new ATOM 559 N SER B 2 -23.422 3.718 0.701 1.00 0.00 N ATOM 560 CA SER B 2 -22.126 3.261 1.177 1.00 0.00 C ATOM 561 C SER B 2 -21.019 3.618 0.187 1.00 0.00 C ATOM 562 O SER B 2 -19.890 3.138 0.298 1.00 0.00 O ATOM 563 CB SER B 2 -22.173 1.754 1.401 1.00 0.00 C ATOM 564 OG SER B 2 -22.776 1.112 0.293 1.00 0.00 O ATOM 0 H SER B 2 -23.750 3.250 -0.144 1.00 0.00 H new ATOM 0 HA SER B 2 -21.902 3.762 2.119 1.00 0.00 H new ATOM 0 HB2 SER B 2 -21.164 1.370 1.548 1.00 0.00 H new ATOM 0 HB3 SER B 2 -22.734 1.532 2.309 1.00 0.00 H new ATOM 0 HG SER B 2 -22.287 0.288 0.087 1.00 0.00 H new ATOM 570 N MET B 3 -21.342 4.474 -0.773 1.00 0.00 N ATOM 571 CA MET B 3 -20.378 4.887 -1.785 1.00 0.00 C ATOM 572 C MET B 3 -19.260 5.699 -1.148 1.00 0.00 C ATOM 573 O MET B 3 -18.094 5.548 -1.497 1.00 0.00 O ATOM 574 CB MET B 3 -21.063 5.699 -2.889 1.00 0.00 C ATOM 575 CG MET B 3 -21.819 4.864 -3.921 1.00 0.00 C ATOM 576 SD MET B 3 -23.110 3.811 -3.212 1.00 0.00 S ATOM 577 CE MET B 3 -22.212 2.278 -2.958 1.00 0.00 C ATOM 0 H MET B 3 -22.265 4.897 -0.873 1.00 0.00 H new ATOM 0 HA MET B 3 -19.949 3.992 -2.235 1.00 0.00 H new ATOM 0 HB2 MET B 3 -21.760 6.399 -2.427 1.00 0.00 H new ATOM 0 HB3 MET B 3 -20.309 6.294 -3.405 1.00 0.00 H new ATOM 0 HG2 MET B 3 -22.271 5.533 -4.654 1.00 0.00 H new ATOM 0 HG3 MET B 3 -21.107 4.237 -4.458 1.00 0.00 H new ATOM 0 HE1 MET B 3 -22.778 1.450 -3.384 1.00 0.00 H new ATOM 0 HE2 MET B 3 -21.239 2.341 -3.446 1.00 0.00 H new ATOM 0 HE3 MET B 3 -22.072 2.111 -1.890 1.00 0.00 H new ATOM 587 N LYS B 4 -19.625 6.533 -0.184 1.00 0.00 N ATOM 588 CA LYS B 4 -18.654 7.334 0.554 1.00 0.00 C ATOM 589 C LYS B 4 -17.898 6.469 1.556 1.00 0.00 C ATOM 590 O LYS B 4 -16.974 6.927 2.212 1.00 0.00 O ATOM 591 CB LYS B 4 -19.349 8.482 1.287 1.00 0.00 C ATOM 592 CG LYS B 4 -19.993 9.506 0.366 1.00 0.00 C ATOM 593 CD LYS B 4 -20.739 10.564 1.161 1.00 0.00 C ATOM 594 CE LYS B 4 -21.372 11.607 0.256 1.00 0.00 C ATOM 595 NZ LYS B 4 -20.355 12.427 -0.455 1.00 0.00 N ATOM 0 H LYS B 4 -20.592 6.674 0.108 1.00 0.00 H new ATOM 0 HA LYS B 4 -17.945 7.749 -0.163 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -20.114 8.069 1.945 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -18.621 8.987 1.922 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -19.227 9.980 -0.247 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -20.682 9.005 -0.315 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -21.513 10.088 1.764 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -20.051 11.051 1.852 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -22.012 11.111 -0.474 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -22.012 12.260 0.849 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -20.822 13.229 -0.925 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -19.658 12.785 0.229 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -19.873 11.842 -1.167 1.00 0.00 H new ATOM 609 N GLN B 5 -18.299 5.214 1.661 1.00 0.00 N ATOM 610 CA GLN B 5 -17.668 4.271 2.569 1.00 0.00 C ATOM 611 C GLN B 5 -16.670 3.444 1.784 1.00 0.00 C ATOM 612 O GLN B 5 -15.560 3.188 2.247 1.00 0.00 O ATOM 613 CB GLN B 5 -18.712 3.370 3.232 1.00 0.00 C ATOM 614 CG GLN B 5 -19.776 4.132 4.010 1.00 0.00 C ATOM 615 CD GLN B 5 -19.204 4.930 5.168 1.00 0.00 C ATOM 616 OE1 GLN B 5 -19.073 4.426 6.282 1.00 0.00 O ATOM 617 NE2 GLN B 5 -18.875 6.186 4.919 1.00 0.00 N ATOM 0 H GLN B 5 -19.069 4.820 1.121 1.00 0.00 H new ATOM 0 HA GLN B 5 -17.156 4.814 3.363 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -19.198 2.767 2.465 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -18.206 2.679 3.907 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -20.299 4.808 3.333 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -20.515 3.427 4.391 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -18.998 6.569 3.982 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -18.498 6.772 5.664 1.00 0.00 H new ATOM 626 N LEU B 6 -17.075 3.044 0.580 1.00 0.00 N ATOM 627 CA LEU B 6 -16.151 2.463 -0.383 1.00 0.00 C ATOM 628 C LEU B 6 -15.035 3.465 -0.628 1.00 0.00 C ATOM 629 O LEU B 6 -13.870 3.188 -0.368 1.00 0.00 O ATOM 630 CB LEU B 6 -16.855 2.146 -1.725 1.00 0.00 C ATOM 631 CG LEU B 6 -17.196 0.681 -2.026 1.00 0.00 C ATOM 632 CD1 LEU B 6 -18.697 0.455 -1.980 1.00 0.00 C ATOM 633 CD2 LEU B 6 -16.648 0.289 -3.389 1.00 0.00 C ATOM 0 H LEU B 6 -18.038 3.113 0.251 1.00 0.00 H new ATOM 0 HA LEU B 6 -15.762 1.527 0.019 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -17.781 2.719 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -16.221 2.515 -2.531 1.00 0.00 H new ATOM 0 HG LEU B 6 -16.734 0.056 -1.262 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -18.914 -0.591 -2.197 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -19.072 0.706 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -19.183 1.088 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -16.895 -0.753 -3.594 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -17.091 0.925 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -15.565 0.413 -3.395 1.00 0.00 H new ATOM 645 N GLU B 7 -15.422 4.661 -1.067 1.00 0.00 N ATOM 646 CA GLU B 7 -14.462 5.711 -1.379 1.00 0.00 C ATOM 647 C GLU B 7 -13.583 6.037 -0.180 1.00 0.00 C ATOM 648 O GLU B 7 -12.403 6.345 -0.345 1.00 0.00 O ATOM 649 CB GLU B 7 -15.171 6.981 -1.851 1.00 0.00 C ATOM 650 CG GLU B 7 -15.877 6.830 -3.184 1.00 0.00 C ATOM 651 CD GLU B 7 -16.568 8.107 -3.620 1.00 0.00 C ATOM 652 OE1 GLU B 7 -17.683 8.375 -3.128 1.00 0.00 O ATOM 653 OE2 GLU B 7 -15.993 8.837 -4.453 1.00 0.00 O ATOM 0 H GLU B 7 -16.396 4.925 -1.214 1.00 0.00 H new ATOM 0 HA GLU B 7 -13.829 5.335 -2.183 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -15.899 7.281 -1.097 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -14.441 7.787 -1.927 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -15.154 6.534 -3.944 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -16.612 6.028 -3.114 1.00 0.00 H new ATOM 660 N ASP B 8 -14.146 5.961 1.024 1.00 0.00 N ATOM 661 CA ASP B 8 -13.375 6.312 2.219 1.00 0.00 C ATOM 662 C ASP B 8 -12.407 5.210 2.623 1.00 0.00 C ATOM 663 O ASP B 8 -11.228 5.473 2.858 1.00 0.00 O ATOM 664 CB ASP B 8 -14.281 6.655 3.397 1.00 0.00 C ATOM 665 CG ASP B 8 -14.384 8.151 3.624 1.00 0.00 C ATOM 666 OD1 ASP B 8 -13.785 8.644 4.602 1.00 0.00 O ATOM 667 OD2 ASP B 8 -15.054 8.830 2.821 1.00 0.00 O ATOM 0 H ASP B 8 -15.107 5.668 1.199 1.00 0.00 H new ATOM 0 HA ASP B 8 -12.796 7.196 1.953 1.00 0.00 H new ATOM 0 HB2 ASP B 8 -15.276 6.247 3.219 1.00 0.00 H new ATOM 0 HB3 ASP B 8 -13.898 6.178 4.299 1.00 0.00 H new ATOM 672 N LYS B 9 -12.898 3.982 2.699 1.00 0.00 N ATOM 673 CA LYS B 9 -12.097 2.881 3.214 1.00 0.00 C ATOM 674 C LYS B 9 -11.035 2.447 2.202 1.00 0.00 C ATOM 675 O LYS B 9 -9.905 2.133 2.579 1.00 0.00 O ATOM 676 CB LYS B 9 -12.998 1.700 3.599 1.00 0.00 C ATOM 677 CG LYS B 9 -12.275 0.583 4.341 1.00 0.00 C ATOM 678 CD LYS B 9 -13.213 -0.566 4.677 1.00 0.00 C ATOM 679 CE LYS B 9 -12.479 -1.683 5.400 1.00 0.00 C ATOM 680 NZ LYS B 9 -13.389 -2.792 5.781 1.00 0.00 N ATOM 0 H LYS B 9 -13.842 3.723 2.412 1.00 0.00 H new ATOM 0 HA LYS B 9 -11.579 3.228 4.108 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -13.814 2.067 4.222 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -13.447 1.290 2.695 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -11.451 0.214 3.730 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -11.839 0.978 5.259 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -14.030 -0.201 5.300 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -13.659 -0.954 3.761 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -11.686 -2.069 4.760 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -12.001 -1.283 6.294 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -12.848 -3.532 6.271 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -14.132 -2.430 6.413 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -13.826 -3.192 4.926 1.00 0.00 H new ATOM 694 N VAL B 10 -11.390 2.447 0.921 1.00 0.00 N ATOM 695 CA VAL B 10 -10.443 2.067 -0.123 1.00 0.00 C ATOM 696 C VAL B 10 -9.301 3.077 -0.192 1.00 0.00 C ATOM 697 O VAL B 10 -8.128 2.711 -0.144 1.00 0.00 O ATOM 698 CB VAL B 10 -11.101 1.977 -1.520 1.00 0.00 C ATOM 699 CG1 VAL B 10 -10.102 1.483 -2.545 1.00 0.00 C ATOM 700 CG2 VAL B 10 -12.315 1.067 -1.518 1.00 0.00 C ATOM 0 H VAL B 10 -12.317 2.703 0.582 1.00 0.00 H new ATOM 0 HA VAL B 10 -10.070 1.078 0.144 1.00 0.00 H new ATOM 0 HB VAL B 10 -11.431 2.982 -1.783 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -10.582 1.426 -3.522 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -9.260 2.173 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -9.745 0.494 -2.258 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -12.746 1.033 -2.519 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -12.016 0.063 -1.217 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -13.056 1.451 -0.817 1.00 0.00 H new ATOM 710 N GLU B 11 -9.653 4.357 -0.271 1.00 0.00 N ATOM 711 CA GLU B 11 -8.659 5.418 -0.397 1.00 0.00 C ATOM 712 C GLU B 11 -7.836 5.546 0.889 1.00 0.00 C ATOM 713 O GLU B 11 -6.759 6.138 0.894 1.00 0.00 O ATOM 714 CB GLU B 11 -9.349 6.744 -0.727 1.00 0.00 C ATOM 715 CG GLU B 11 -8.392 7.876 -1.059 1.00 0.00 C ATOM 716 CD GLU B 11 -9.114 9.170 -1.371 1.00 0.00 C ATOM 717 OE1 GLU B 11 -9.348 9.447 -2.565 1.00 0.00 O ATOM 718 OE2 GLU B 11 -9.447 9.907 -0.420 1.00 0.00 O ATOM 0 H GLU B 11 -10.619 4.685 -0.250 1.00 0.00 H new ATOM 0 HA GLU B 11 -7.979 5.163 -1.209 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -10.021 6.591 -1.572 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -9.966 7.041 0.121 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -7.715 8.034 -0.219 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -7.778 7.590 -1.913 1.00 0.00 H new ATOM 725 N GLU B 12 -8.345 4.981 1.975 1.00 0.00 N ATOM 726 CA GLU B 12 -7.611 4.942 3.228 1.00 0.00 C ATOM 727 C GLU B 12 -6.376 4.073 3.053 1.00 0.00 C ATOM 728 O GLU B 12 -5.272 4.440 3.463 1.00 0.00 O ATOM 729 CB GLU B 12 -8.492 4.393 4.355 1.00 0.00 C ATOM 730 CG GLU B 12 -7.827 4.407 5.722 1.00 0.00 C ATOM 731 CD GLU B 12 -7.441 5.802 6.173 1.00 0.00 C ATOM 732 OE1 GLU B 12 -8.307 6.510 6.729 1.00 0.00 O ATOM 733 OE2 GLU B 12 -6.268 6.187 5.975 1.00 0.00 O ATOM 0 H GLU B 12 -9.265 4.543 2.011 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.311 5.954 3.499 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.410 4.979 4.403 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -8.779 3.370 4.112 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -8.504 3.967 6.455 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -6.936 3.780 5.694 1.00 0.00 H new ATOM 740 N LEU B 13 -6.569 2.927 2.416 1.00 0.00 N ATOM 741 CA LEU B 13 -5.454 2.059 2.084 1.00 0.00 C ATOM 742 C LEU B 13 -4.630 2.669 0.962 1.00 0.00 C ATOM 743 O LEU B 13 -3.428 2.440 0.876 1.00 0.00 O ATOM 744 CB LEU B 13 -5.938 0.668 1.686 1.00 0.00 C ATOM 745 CG LEU B 13 -6.570 -0.148 2.812 1.00 0.00 C ATOM 746 CD1 LEU B 13 -6.900 -1.540 2.321 1.00 0.00 C ATOM 747 CD2 LEU B 13 -5.641 -0.223 4.014 1.00 0.00 C ATOM 0 H LEU B 13 -7.482 2.580 2.121 1.00 0.00 H new ATOM 0 HA LEU B 13 -4.829 1.958 2.971 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.666 0.771 0.881 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -5.094 0.109 1.283 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.490 0.349 3.122 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -7.350 -2.114 3.131 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -7.601 -1.476 1.489 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -5.987 -2.035 1.989 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.113 -0.809 4.803 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -4.704 -0.697 3.721 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.439 0.783 4.381 1.00 0.00 H new ATOM 759 N LEU B 14 -5.285 3.459 0.116 1.00 0.00 N ATOM 760 CA LEU B 14 -4.605 4.175 -0.959 1.00 0.00 C ATOM 761 C LEU B 14 -3.629 5.191 -0.379 1.00 0.00 C ATOM 762 O LEU B 14 -2.612 5.527 -0.988 1.00 0.00 O ATOM 763 CB LEU B 14 -5.622 4.893 -1.843 1.00 0.00 C ATOM 764 CG LEU B 14 -5.103 5.315 -3.217 1.00 0.00 C ATOM 765 CD1 LEU B 14 -4.807 4.091 -4.065 1.00 0.00 C ATOM 766 CD2 LEU B 14 -6.109 6.217 -3.914 1.00 0.00 C ATOM 0 H LEU B 14 -6.291 3.620 0.155 1.00 0.00 H new ATOM 0 HA LEU B 14 -4.055 3.452 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -6.484 4.241 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -5.975 5.780 -1.317 1.00 0.00 H new ATOM 0 HG LEU B 14 -4.178 5.876 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -4.438 4.405 -5.041 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -4.051 3.480 -3.571 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -5.719 3.507 -4.192 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -5.722 6.507 -4.891 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -7.050 5.682 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -6.277 7.109 -3.311 1.00 0.00 H new ATOM 778 N SER B 15 -3.956 5.671 0.808 1.00 0.00 N ATOM 779 CA SER B 15 -3.118 6.609 1.523 1.00 0.00 C ATOM 780 C SER B 15 -1.828 5.923 1.942 1.00 0.00 C ATOM 781 O SER B 15 -0.735 6.447 1.724 1.00 0.00 O ATOM 782 CB SER B 15 -3.858 7.160 2.746 1.00 0.00 C ATOM 783 OG SER B 15 -3.057 8.085 3.464 1.00 0.00 O ATOM 0 H SER B 15 -4.812 5.419 1.302 1.00 0.00 H new ATOM 0 HA SER B 15 -2.877 7.446 0.867 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.780 7.646 2.427 1.00 0.00 H new ATOM 0 HB3 SER B 15 -4.142 6.337 3.402 1.00 0.00 H new ATOM 0 HG SER B 15 -3.557 8.420 4.237 1.00 0.00 H new ATOM 789 N LYS B 16 -1.944 4.734 2.523 1.00 0.00 N ATOM 790 CA LYS B 16 -0.753 3.988 2.887 1.00 0.00 C ATOM 791 C LYS B 16 -0.106 3.386 1.643 1.00 0.00 C ATOM 792 O LYS B 16 1.092 3.158 1.630 1.00 0.00 O ATOM 793 CB LYS B 16 -1.022 2.917 3.952 1.00 0.00 C ATOM 794 CG LYS B 16 -2.002 1.834 3.545 1.00 0.00 C ATOM 795 CD LYS B 16 -2.206 0.822 4.665 1.00 0.00 C ATOM 796 CE LYS B 16 -0.933 0.044 4.967 1.00 0.00 C ATOM 797 NZ LYS B 16 -1.096 -0.854 6.139 1.00 0.00 N ATOM 0 H LYS B 16 -2.829 4.278 2.746 1.00 0.00 H new ATOM 0 HA LYS B 16 -0.056 4.693 3.340 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -0.076 2.447 4.219 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -1.399 3.407 4.850 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -2.958 2.286 3.282 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -1.635 1.324 2.654 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -2.537 1.339 5.565 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -2.998 0.127 4.386 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -0.653 -0.546 4.094 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -0.117 0.742 5.155 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -0.207 -1.365 6.311 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -1.338 -0.289 6.978 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -1.857 -1.537 5.950 1.00 0.00 H new ATOM 811 N ASN B 17 -0.899 3.148 0.593 1.00 0.00 N ATOM 812 CA ASN B 17 -0.341 2.817 -0.721 1.00 0.00 C ATOM 813 C ASN B 17 0.633 3.902 -1.115 1.00 0.00 C ATOM 814 O ASN B 17 1.754 3.622 -1.534 1.00 0.00 O ATOM 815 CB ASN B 17 -1.421 2.731 -1.808 1.00 0.00 C ATOM 816 CG ASN B 17 -2.243 1.463 -1.769 1.00 0.00 C ATOM 817 OD1 ASN B 17 -3.429 1.478 -2.073 1.00 0.00 O ATOM 818 ND2 ASN B 17 -1.621 0.350 -1.434 1.00 0.00 N ATOM 0 H ASN B 17 -1.918 3.178 0.626 1.00 0.00 H new ATOM 0 HA ASN B 17 0.141 1.843 -0.641 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -2.089 3.586 -1.708 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -0.944 2.811 -2.785 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -2.129 -0.534 -1.423 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -0.632 0.373 -1.186 1.00 0.00 H new ATOM 825 N TYR B 18 0.194 5.149 -0.952 1.00 0.00 N ATOM 826 CA TYR B 18 1.032 6.295 -1.269 1.00 0.00 C ATOM 827 C TYR B 18 2.274 6.308 -0.379 1.00 0.00 C ATOM 828 O TYR B 18 3.386 6.521 -0.857 1.00 0.00 O ATOM 829 CB TYR B 18 0.243 7.599 -1.108 1.00 0.00 C ATOM 830 CG TYR B 18 0.986 8.823 -1.596 1.00 0.00 C ATOM 831 CD1 TYR B 18 1.402 9.813 -0.712 1.00 0.00 C ATOM 832 CD2 TYR B 18 1.276 8.984 -2.943 1.00 0.00 C ATOM 833 CE1 TYR B 18 2.088 10.925 -1.163 1.00 0.00 C ATOM 834 CE2 TYR B 18 1.959 10.092 -3.400 1.00 0.00 C ATOM 835 CZ TYR B 18 2.363 11.060 -2.508 1.00 0.00 C ATOM 836 OH TYR B 18 3.050 12.164 -2.962 1.00 0.00 O ATOM 0 H TYR B 18 -0.735 5.387 -0.603 1.00 0.00 H new ATOM 0 HA TYR B 18 1.351 6.213 -2.308 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.697 7.514 -1.653 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.009 7.733 -0.056 1.00 0.00 H new ATOM 0 HD1 TYR B 18 1.186 9.711 0.341 1.00 0.00 H new ATOM 0 HD2 TYR B 18 0.961 8.228 -3.647 1.00 0.00 H new ATOM 0 HE1 TYR B 18 2.407 11.685 -0.465 1.00 0.00 H new ATOM 0 HE2 TYR B 18 2.176 10.200 -4.453 1.00 0.00 H new ATOM 0 HH TYR B 18 3.161 12.103 -3.934 1.00 0.00 H new ATOM 846 N HIS B 19 2.074 6.055 0.912 1.00 0.00 N ATOM 847 CA HIS B 19 3.176 6.032 1.874 1.00 0.00 C ATOM 848 C HIS B 19 4.194 4.944 1.536 1.00 0.00 C ATOM 849 O HIS B 19 5.382 5.224 1.415 1.00 0.00 O ATOM 850 CB HIS B 19 2.656 5.826 3.300 1.00 0.00 C ATOM 851 CG HIS B 19 2.117 7.070 3.941 1.00 0.00 C ATOM 852 ND1 HIS B 19 2.566 7.542 5.154 1.00 0.00 N ATOM 853 CD2 HIS B 19 1.154 7.934 3.541 1.00 0.00 C ATOM 854 CE1 HIS B 19 1.907 8.638 5.472 1.00 0.00 C ATOM 855 NE2 HIS B 19 1.043 8.899 4.511 1.00 0.00 N ATOM 0 H HIS B 19 1.158 5.863 1.318 1.00 0.00 H new ATOM 0 HA HIS B 19 3.673 7.000 1.813 1.00 0.00 H new ATOM 0 HB2 HIS B 19 1.871 5.070 3.283 1.00 0.00 H new ATOM 0 HB3 HIS B 19 3.464 5.433 3.917 1.00 0.00 H new ATOM 0 HD2 HIS B 19 0.580 7.875 2.628 1.00 0.00 H new ATOM 0 HE1 HIS B 19 2.050 9.223 6.368 1.00 0.00 H new ATOM 0 HE2 HIS B 19 0.398 9.689 4.491 1.00 0.00 H new ATOM 864 N LEU B 20 3.718 3.711 1.374 1.00 0.00 N ATOM 865 CA LEU B 20 4.590 2.575 1.066 1.00 0.00 C ATOM 866 C LEU B 20 5.323 2.827 -0.232 1.00 0.00 C ATOM 867 O LEU B 20 6.522 2.605 -0.329 1.00 0.00 O ATOM 868 CB LEU B 20 3.789 1.277 0.933 1.00 0.00 C ATOM 869 CG LEU B 20 2.830 0.972 2.071 1.00 0.00 C ATOM 870 CD1 LEU B 20 2.257 -0.427 1.948 1.00 0.00 C ATOM 871 CD2 LEU B 20 3.497 1.168 3.426 1.00 0.00 C ATOM 0 H LEU B 20 2.730 3.471 1.451 1.00 0.00 H new ATOM 0 HA LEU B 20 5.298 2.469 1.888 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.220 1.317 0.004 1.00 0.00 H new ATOM 0 HB3 LEU B 20 4.490 0.447 0.842 1.00 0.00 H new ATOM 0 HG LEU B 20 2.004 1.680 2.000 1.00 0.00 H new ATOM 0 HD11 LEU B 20 1.575 -0.615 2.777 1.00 0.00 H new ATOM 0 HD12 LEU B 20 1.717 -0.517 1.006 1.00 0.00 H new ATOM 0 HD13 LEU B 20 3.067 -1.156 1.973 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.784 0.942 4.219 1.00 0.00 H new ATOM 0 HD22 LEU B 20 4.355 0.501 3.509 1.00 0.00 H new ATOM 0 HD23 LEU B 20 3.830 2.202 3.522 1.00 0.00 H new ATOM 883 N GLU B 21 4.579 3.294 -1.223 1.00 0.00 N ATOM 884 CA GLU B 21 5.159 3.644 -2.519 1.00 0.00 C ATOM 885 C GLU B 21 6.304 4.643 -2.360 1.00 0.00 C ATOM 886 O GLU B 21 7.351 4.496 -2.990 1.00 0.00 O ATOM 887 CB GLU B 21 4.093 4.207 -3.464 1.00 0.00 C ATOM 888 CG GLU B 21 3.435 3.155 -4.344 1.00 0.00 C ATOM 889 CD GLU B 21 4.421 2.478 -5.278 1.00 0.00 C ATOM 890 OE1 GLU B 21 4.614 2.983 -6.403 1.00 0.00 O ATOM 891 OE2 GLU B 21 5.000 1.444 -4.884 1.00 0.00 O ATOM 0 H GLU B 21 3.572 3.441 -1.159 1.00 0.00 H new ATOM 0 HA GLU B 21 5.560 2.729 -2.956 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.324 4.706 -2.874 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.549 4.966 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.962 2.402 -3.713 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.644 3.621 -4.932 1.00 0.00 H new ATOM 898 N ASN B 22 6.107 5.648 -1.511 1.00 0.00 N ATOM 899 CA ASN B 22 7.163 6.615 -1.217 1.00 0.00 C ATOM 900 C ASN B 22 8.323 5.935 -0.508 1.00 0.00 C ATOM 901 O ASN B 22 9.490 6.211 -0.795 1.00 0.00 O ATOM 902 CB ASN B 22 6.647 7.761 -0.342 1.00 0.00 C ATOM 903 CG ASN B 22 5.627 8.636 -1.040 1.00 0.00 C ATOM 904 OD1 ASN B 22 5.625 8.765 -2.267 1.00 0.00 O ATOM 905 ND2 ASN B 22 4.756 9.252 -0.257 1.00 0.00 N ATOM 0 H ASN B 22 5.231 5.815 -1.016 1.00 0.00 H new ATOM 0 HA ASN B 22 7.500 7.025 -2.169 1.00 0.00 H new ATOM 0 HB2 ASN B 22 6.201 7.346 0.562 1.00 0.00 H new ATOM 0 HB3 ASN B 22 7.490 8.377 -0.028 1.00 0.00 H new ATOM 0 HD21 ASN B 22 4.047 9.862 -0.664 1.00 0.00 H new ATOM 0 HD22 ASN B 22 4.794 9.117 0.753 1.00 0.00 H new ATOM 912 N GLU B 23 7.995 5.035 0.415 1.00 0.00 N ATOM 913 CA GLU B 23 9.011 4.317 1.175 1.00 0.00 C ATOM 914 C GLU B 23 9.857 3.446 0.254 1.00 0.00 C ATOM 915 O GLU B 23 11.085 3.460 0.335 1.00 0.00 O ATOM 916 CB GLU B 23 8.370 3.451 2.263 1.00 0.00 C ATOM 917 CG GLU B 23 7.574 4.240 3.291 1.00 0.00 C ATOM 918 CD GLU B 23 8.403 5.299 3.990 1.00 0.00 C ATOM 919 OE1 GLU B 23 9.212 4.932 4.866 1.00 0.00 O ATOM 920 OE2 GLU B 23 8.238 6.491 3.664 1.00 0.00 O ATOM 0 H GLU B 23 7.035 4.787 0.654 1.00 0.00 H new ATOM 0 HA GLU B 23 9.654 5.057 1.651 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.712 2.721 1.792 1.00 0.00 H new ATOM 0 HB3 GLU B 23 9.152 2.891 2.776 1.00 0.00 H new ATOM 0 HG2 GLU B 23 6.725 4.716 2.799 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.168 3.554 4.034 1.00 0.00 H new ATOM 927 N VAL B 24 9.194 2.697 -0.622 1.00 0.00 N ATOM 928 CA VAL B 24 9.890 1.819 -1.553 1.00 0.00 C ATOM 929 C VAL B 24 10.778 2.637 -2.487 1.00 0.00 C ATOM 930 O VAL B 24 11.929 2.285 -2.722 1.00 0.00 O ATOM 931 CB VAL B 24 8.916 0.968 -2.407 1.00 0.00 C ATOM 932 CG1 VAL B 24 9.686 -0.014 -3.274 1.00 0.00 C ATOM 933 CG2 VAL B 24 7.926 0.219 -1.535 1.00 0.00 C ATOM 0 H VAL B 24 8.178 2.681 -0.706 1.00 0.00 H new ATOM 0 HA VAL B 24 10.494 1.140 -0.950 1.00 0.00 H new ATOM 0 HB VAL B 24 8.359 1.651 -3.048 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.986 -0.603 -3.867 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.353 0.534 -3.939 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.272 -0.678 -2.639 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.258 -0.368 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL B 24 8.466 -0.446 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL B 24 7.343 0.932 -0.952 1.00 0.00 H new ATOM 943 N ALA B 25 10.237 3.741 -3.000 1.00 0.00 N ATOM 944 CA ALA B 25 10.967 4.599 -3.930 1.00 0.00 C ATOM 945 C ALA B 25 12.243 5.146 -3.294 1.00 0.00 C ATOM 946 O ALA B 25 13.317 5.104 -3.899 1.00 0.00 O ATOM 947 CB ALA B 25 10.079 5.742 -4.401 1.00 0.00 C ATOM 0 H ALA B 25 9.293 4.062 -2.786 1.00 0.00 H new ATOM 0 HA ALA B 25 11.254 3.995 -4.791 1.00 0.00 H new ATOM 0 HB1 ALA B 25 10.636 6.374 -5.093 1.00 0.00 H new ATOM 0 HB2 ALA B 25 9.201 5.337 -4.905 1.00 0.00 H new ATOM 0 HB3 ALA B 25 9.763 6.335 -3.543 1.00 0.00 H new ATOM 953 N ARG B 26 12.117 5.653 -2.072 1.00 0.00 N ATOM 954 CA ARG B 26 13.262 6.162 -1.325 1.00 0.00 C ATOM 955 C ARG B 26 14.299 5.065 -1.134 1.00 0.00 C ATOM 956 O ARG B 26 15.480 5.246 -1.439 1.00 0.00 O ATOM 957 CB ARG B 26 12.808 6.707 0.034 1.00 0.00 C ATOM 958 CG ARG B 26 13.947 7.212 0.907 1.00 0.00 C ATOM 959 CD ARG B 26 14.695 8.358 0.249 1.00 0.00 C ATOM 960 NE ARG B 26 15.872 8.756 1.019 1.00 0.00 N ATOM 961 CZ ARG B 26 16.909 9.417 0.504 1.00 0.00 C ATOM 962 NH1 ARG B 26 16.896 9.791 -0.769 1.00 0.00 N ATOM 963 NH2 ARG B 26 17.958 9.706 1.265 1.00 0.00 N ATOM 0 H ARG B 26 11.229 5.723 -1.576 1.00 0.00 H new ATOM 0 HA ARG B 26 13.716 6.974 -1.893 1.00 0.00 H new ATOM 0 HB2 ARG B 26 12.101 7.520 -0.129 1.00 0.00 H new ATOM 0 HB3 ARG B 26 12.274 5.922 0.569 1.00 0.00 H new ATOM 0 HG2 ARG B 26 13.551 7.540 1.868 1.00 0.00 H new ATOM 0 HG3 ARG B 26 14.639 6.395 1.110 1.00 0.00 H new ATOM 0 HD2 ARG B 26 15.001 8.063 -0.755 1.00 0.00 H new ATOM 0 HD3 ARG B 26 14.027 9.212 0.140 1.00 0.00 H new ATOM 0 HE ARG B 26 15.902 8.514 2.009 1.00 0.00 H new ATOM 0 HH11 ARG B 26 16.091 9.573 -1.356 1.00 0.00 H new ATOM 0 HH12 ARG B 26 17.691 10.297 -1.160 1.00 0.00 H new ATOM 0 HH21 ARG B 26 17.971 9.422 2.245 1.00 0.00 H new ATOM 0 HH22 ARG B 26 18.751 10.212 0.870 1.00 0.00 H new ATOM 977 N LEU B 27 13.840 3.920 -0.657 1.00 0.00 N ATOM 978 CA LEU B 27 14.713 2.786 -0.398 1.00 0.00 C ATOM 979 C LEU B 27 15.360 2.270 -1.681 1.00 0.00 C ATOM 980 O LEU B 27 16.509 1.838 -1.665 1.00 0.00 O ATOM 981 CB LEU B 27 13.930 1.667 0.279 1.00 0.00 C ATOM 982 CG LEU B 27 13.923 1.676 1.815 1.00 0.00 C ATOM 983 CD1 LEU B 27 13.660 3.066 2.372 1.00 0.00 C ATOM 984 CD2 LEU B 27 12.879 0.707 2.336 1.00 0.00 C ATOM 0 H LEU B 27 12.858 3.750 -0.439 1.00 0.00 H new ATOM 0 HA LEU B 27 15.510 3.123 0.265 1.00 0.00 H new ATOM 0 HB2 LEU B 27 12.898 1.713 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU B 27 14.337 0.713 -0.056 1.00 0.00 H new ATOM 0 HG LEU B 27 14.912 1.365 2.150 1.00 0.00 H new ATOM 0 HD11 LEU B 27 13.663 3.028 3.461 1.00 0.00 H new ATOM 0 HD12 LEU B 27 14.438 3.748 2.030 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.689 3.420 2.024 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.882 0.721 3.426 1.00 0.00 H new ATOM 0 HD22 LEU B 27 11.895 1.002 1.972 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.109 -0.299 1.985 1.00 0.00 H new ATOM 996 N LYS B 28 14.626 2.321 -2.787 1.00 0.00 N ATOM 997 CA LYS B 28 15.143 1.870 -4.076 1.00 0.00 C ATOM 998 C LYS B 28 16.390 2.650 -4.482 1.00 0.00 C ATOM 999 O LYS B 28 17.323 2.087 -5.051 1.00 0.00 O ATOM 1000 CB LYS B 28 14.077 2.002 -5.166 1.00 0.00 C ATOM 1001 CG LYS B 28 13.108 0.833 -5.224 1.00 0.00 C ATOM 1002 CD LYS B 28 13.804 -0.439 -5.681 1.00 0.00 C ATOM 1003 CE LYS B 28 12.853 -1.623 -5.701 1.00 0.00 C ATOM 1004 NZ LYS B 28 13.492 -2.836 -6.276 1.00 0.00 N ATOM 0 H LYS B 28 13.668 2.671 -2.818 1.00 0.00 H new ATOM 0 HA LYS B 28 15.413 0.820 -3.965 1.00 0.00 H new ATOM 0 HB2 LYS B 28 13.514 2.920 -5.000 1.00 0.00 H new ATOM 0 HB3 LYS B 28 14.570 2.101 -6.133 1.00 0.00 H new ATOM 0 HG2 LYS B 28 12.666 0.675 -4.240 1.00 0.00 H new ATOM 0 HG3 LYS B 28 12.291 1.068 -5.906 1.00 0.00 H new ATOM 0 HD2 LYS B 28 14.219 -0.289 -6.678 1.00 0.00 H new ATOM 0 HD3 LYS B 28 14.640 -0.655 -5.016 1.00 0.00 H new ATOM 0 HE2 LYS B 28 12.517 -1.836 -4.686 1.00 0.00 H new ATOM 0 HE3 LYS B 28 11.968 -1.368 -6.283 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 12.811 -3.622 -6.272 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 13.790 -2.641 -7.253 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 14.322 -3.095 -5.706 1.00 0.00 H new ATOM 1018 N LYS B 29 16.402 3.943 -4.183 1.00 0.00 N ATOM 1019 CA LYS B 29 17.554 4.785 -4.491 1.00 0.00 C ATOM 1020 C LYS B 29 18.701 4.483 -3.535 1.00 0.00 C ATOM 1021 O LYS B 29 19.873 4.660 -3.867 1.00 0.00 O ATOM 1022 CB LYS B 29 17.183 6.263 -4.384 1.00 0.00 C ATOM 1023 CG LYS B 29 16.033 6.678 -5.286 1.00 0.00 C ATOM 1024 CD LYS B 29 15.754 8.166 -5.166 1.00 0.00 C ATOM 1025 CE LYS B 29 14.556 8.586 -6.002 1.00 0.00 C ATOM 1026 NZ LYS B 29 14.750 8.292 -7.447 1.00 0.00 N ATOM 0 H LYS B 29 15.630 4.431 -3.729 1.00 0.00 H new ATOM 0 HA LYS B 29 17.868 4.569 -5.512 1.00 0.00 H new ATOM 0 HB2 LYS B 29 16.920 6.487 -3.350 1.00 0.00 H new ATOM 0 HB3 LYS B 29 18.058 6.865 -4.628 1.00 0.00 H new ATOM 0 HG2 LYS B 29 16.271 6.432 -6.321 1.00 0.00 H new ATOM 0 HG3 LYS B 29 15.138 6.115 -5.022 1.00 0.00 H new ATOM 0 HD2 LYS B 29 15.574 8.419 -4.121 1.00 0.00 H new ATOM 0 HD3 LYS B 29 16.633 8.727 -5.483 1.00 0.00 H new ATOM 0 HE2 LYS B 29 13.666 8.069 -5.644 1.00 0.00 H new ATOM 0 HE3 LYS B 29 14.379 9.654 -5.870 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 13.982 8.729 -7.996 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 15.663 8.678 -7.760 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 14.740 7.263 -7.596 1.00 0.00 H new ATOM 1040 N LEU B 30 18.345 4.011 -2.353 1.00 0.00 N ATOM 1041 CA LEU B 30 19.310 3.764 -1.291 1.00 0.00 C ATOM 1042 C LEU B 30 19.934 2.378 -1.432 1.00 0.00 C ATOM 1043 O LEU B 30 21.093 2.169 -1.076 1.00 0.00 O ATOM 1044 CB LEU B 30 18.630 3.923 0.061 1.00 0.00 C ATOM 1045 CG LEU B 30 18.086 5.326 0.332 1.00 0.00 C ATOM 1046 CD1 LEU B 30 17.111 5.301 1.487 1.00 0.00 C ATOM 1047 CD2 LEU B 30 19.216 6.304 0.620 1.00 0.00 C ATOM 0 H LEU B 30 17.382 3.788 -2.101 1.00 0.00 H new ATOM 0 HA LEU B 30 20.116 4.493 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU B 30 17.809 3.209 0.128 1.00 0.00 H new ATOM 0 HB3 LEU B 30 19.342 3.665 0.845 1.00 0.00 H new ATOM 0 HG LEU B 30 17.563 5.662 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU B 30 16.734 6.308 1.666 1.00 0.00 H new ATOM 0 HD12 LEU B 30 16.279 4.639 1.247 1.00 0.00 H new ATOM 0 HD13 LEU B 30 17.616 4.938 2.382 1.00 0.00 H new ATOM 0 HD21 LEU B 30 18.801 7.294 0.809 1.00 0.00 H new ATOM 0 HD22 LEU B 30 19.772 5.970 1.496 1.00 0.00 H new ATOM 0 HD23 LEU B 30 19.886 6.349 -0.239 1.00 0.00 H new ATOM 1059 N VAL B 31 19.158 1.431 -1.941 1.00 0.00 N ATOM 1060 CA VAL B 31 19.689 0.121 -2.295 1.00 0.00 C ATOM 1061 C VAL B 31 20.415 0.226 -3.629 1.00 0.00 C ATOM 1062 O VAL B 31 21.361 -0.512 -3.904 1.00 0.00 O ATOM 1063 CB VAL B 31 18.574 -0.947 -2.406 1.00 0.00 C ATOM 1064 CG1 VAL B 31 19.154 -2.313 -2.743 1.00 0.00 C ATOM 1065 CG2 VAL B 31 17.767 -1.023 -1.122 1.00 0.00 C ATOM 0 H VAL B 31 18.160 1.545 -2.118 1.00 0.00 H new ATOM 0 HA VAL B 31 20.371 -0.191 -1.504 1.00 0.00 H new ATOM 0 HB VAL B 31 17.910 -0.647 -3.217 1.00 0.00 H new ATOM 0 HG11 VAL B 31 18.348 -3.043 -2.815 1.00 0.00 H new ATOM 0 HG12 VAL B 31 19.681 -2.260 -3.696 1.00 0.00 H new ATOM 0 HG13 VAL B 31 19.849 -2.616 -1.960 1.00 0.00 H new ATOM 0 HG21 VAL B 31 16.990 -1.780 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL B 31 18.425 -1.288 -0.294 1.00 0.00 H new ATOM 0 HG23 VAL B 31 17.306 -0.055 -0.924 1.00 0.00 H new ATOM 1075 N GLY B 32 19.958 1.172 -4.441 1.00 0.00 N ATOM 1076 CA GLY B 32 20.542 1.402 -5.743 1.00 0.00 C ATOM 1077 C GLY B 32 21.963 1.920 -5.663 1.00 0.00 C ATOM 1078 O GLY B 32 22.898 1.260 -6.110 1.00 0.00 O ATOM 0 H GLY B 32 19.180 1.791 -4.213 1.00 0.00 H new ATOM 0 HA2 GLY B 32 20.530 0.472 -6.311 1.00 0.00 H new ATOM 0 HA3 GLY B 32 19.929 2.118 -6.290 1.00 0.00 H new ATOM 1082 N GLU B 33 22.131 3.099 -5.085 1.00 0.00 N ATOM 1083 CA GLU B 33 23.444 3.713 -4.994 1.00 0.00 C ATOM 1084 C GLU B 33 23.723 4.193 -3.574 1.00 0.00 C ATOM 1085 O GLU B 33 24.254 3.392 -2.777 1.00 0.00 O ATOM 1086 CB GLU B 33 23.563 4.862 -6.002 1.00 0.00 C ATOM 1087 CG GLU B 33 22.374 5.812 -6.007 1.00 0.00 C ATOM 1088 CD GLU B 33 22.533 6.935 -7.010 1.00 0.00 C ATOM 1089 OE1 GLU B 33 23.249 7.907 -6.699 1.00 0.00 O ATOM 1090 OE2 GLU B 33 21.942 6.841 -8.104 1.00 0.00 O ATOM 1091 OXT GLU B 33 23.404 5.356 -3.250 1.00 0.00 O ATOM 0 H GLU B 33 21.376 3.648 -4.673 1.00 0.00 H new ATOM 0 HA GLU B 33 24.196 2.963 -5.241 1.00 0.00 H new ATOM 0 HB2 GLU B 33 24.467 5.430 -5.783 1.00 0.00 H new ATOM 0 HB3 GLU B 33 23.684 4.443 -7.001 1.00 0.00 H new ATOM 0 HG2 GLU B 33 21.467 5.252 -6.234 1.00 0.00 H new ATOM 0 HG3 GLU B 33 22.247 6.235 -5.010 1.00 0.00 H new TER 1098 GLU B 33