USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 569 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 38 MET CE :methyl -147:sc= -0.123 (180deg=-1.75!) USER MOD Set 1.2: A 48 MET CE :methyl 161:sc= -3.12! (180deg=-4.2!) USER MOD Set 2.1: A 20 THR OG1 : rot 17:sc= -0.25 USER MOD Set 2.2: A 51 TYR OH : rot 54:sc= 0.792 USER MOD Set 3.1: A 4 GLN : amide:sc= 0 X(o=-1.8,f=-1.8) USER MOD Set 3.2: A 14 GLN :FLIP amide:sc= -1.8! C(o=-4.1!,f=-1.8!) USER MOD Single : A 1 ALA N :NH3+ 154:sc= 1.02 (180deg=0.176!) USER MOD Single : A 3 LYS NZ :NH3+ 176:sc= 0.29 (180deg=0.238) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0841 USER MOD Single : A 6 HIS : no HD1:sc= -2.33 X(o=-2.3,f=-1.9) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 160:sc= -2.3! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.77! C(o=-2.8!,f=-5!) USER MOD Single : A 22 SER OG : rot 95:sc= 1.27 USER MOD Single : A 24 LYS NZ :NH3+ 147:sc= 1.32 (180deg=1.05) USER MOD Single : A 25 LYS NZ :NH3+ -146:sc= 1.21 (180deg=0.475) USER MOD Single : A 30 THR OG1 : rot -54:sc= 0.632 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -90:sc= 1.27 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.785 F(o=-1.3,f=-0.78) USER MOD Single : A 52 TYR OH : rot 77:sc= 0.0431 USER MOD Single : A 58 GLN : amide:sc= 0.0501 K(o=0.05,f=-0.53) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.221 F(o=-1.1,f=-0.22) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0895 USER MOD Single : A 74 HIS : no HE2:sc= 0.967 K(o=0.97,f=-5.1!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.075) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.183 7.124 -7.071 1.00 0.00 N ATOM 2 CA ALA A 1 -13.477 7.225 -6.425 1.00 0.00 C ATOM 3 C ALA A 1 -13.450 8.350 -5.418 1.00 0.00 C ATOM 4 O ALA A 1 -12.408 8.657 -4.852 1.00 0.00 O ATOM 5 CB ALA A 1 -13.835 5.907 -5.749 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.038 6.150 -7.407 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.146 7.778 -7.879 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.436 7.371 -6.391 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.239 7.439 -7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.809 5.998 -5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.871 5.113 -6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.081 5.666 -4.999 1.00 0.00 H new ATOM 13 N ASP A 2 -14.567 8.992 -5.226 1.00 0.00 N ATOM 14 CA ASP A 2 -14.675 10.035 -4.237 1.00 0.00 C ATOM 15 C ASP A 2 -15.636 9.617 -3.159 1.00 0.00 C ATOM 16 O ASP A 2 -16.851 9.813 -3.262 1.00 0.00 O ATOM 17 CB ASP A 2 -15.075 11.384 -4.838 1.00 0.00 C ATOM 18 CG ASP A 2 -15.307 12.439 -3.767 1.00 0.00 C ATOM 19 OD1 ASP A 2 -16.473 12.819 -3.538 1.00 0.00 O ATOM 20 OD2 ASP A 2 -14.334 12.887 -3.124 1.00 0.00 O ATOM 0 H ASP A 2 -15.426 8.811 -5.746 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.685 10.179 -3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -14.294 11.724 -5.518 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -15.982 11.262 -5.430 1.00 0.00 H new ATOM 25 N LYS A 3 -15.103 8.941 -2.181 1.00 0.00 N ATOM 26 CA LYS A 3 -15.883 8.484 -1.044 1.00 0.00 C ATOM 27 C LYS A 3 -15.400 9.198 0.212 1.00 0.00 C ATOM 28 O LYS A 3 -15.959 9.039 1.292 1.00 0.00 O ATOM 29 CB LYS A 3 -15.691 6.976 -0.837 1.00 0.00 C ATOM 30 CG LYS A 3 -15.986 6.086 -2.033 1.00 0.00 C ATOM 31 CD LYS A 3 -17.438 6.144 -2.444 1.00 0.00 C ATOM 32 CE LYS A 3 -17.708 5.192 -3.593 1.00 0.00 C ATOM 33 NZ LYS A 3 -17.476 3.768 -3.230 1.00 0.00 N ATOM 0 H LYS A 3 -14.116 8.686 -2.141 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.935 8.698 -1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -14.660 6.802 -0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -16.329 6.661 -0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -15.360 6.389 -2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.719 5.057 -1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.072 5.887 -1.595 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.697 7.161 -2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -18.739 5.314 -3.925 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -17.069 5.456 -4.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -17.740 3.158 -4.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -16.471 3.627 -3.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -18.055 3.522 -2.402 1.00 0.00 H new ATOM 47 N GLN A 4 -14.352 9.990 0.074 1.00 0.00 N ATOM 48 CA GLN A 4 -13.769 10.629 1.232 1.00 0.00 C ATOM 49 C GLN A 4 -14.469 11.950 1.564 1.00 0.00 C ATOM 50 O GLN A 4 -13.949 13.039 1.340 1.00 0.00 O ATOM 51 CB GLN A 4 -12.222 10.755 1.143 1.00 0.00 C ATOM 52 CG GLN A 4 -11.682 11.558 -0.043 1.00 0.00 C ATOM 53 CD GLN A 4 -10.168 11.606 -0.044 1.00 0.00 C ATOM 54 OE1 GLN A 4 -9.576 12.487 0.573 1.00 0.00 O ATOM 55 NE2 GLN A 4 -9.531 10.708 -0.759 1.00 0.00 N ATOM 0 H GLN A 4 -13.896 10.202 -0.814 1.00 0.00 H new ATOM 0 HA GLN A 4 -13.947 9.967 2.079 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.861 11.216 2.063 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -11.797 9.752 1.101 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -12.033 11.113 -0.974 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -12.078 12.573 -0.006 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.054 9.990 -1.259 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.513 10.729 -0.814 1.00 0.00 H new ATOM 64 N THR A 5 -15.685 11.828 2.008 1.00 0.00 N ATOM 65 CA THR A 5 -16.497 12.950 2.421 1.00 0.00 C ATOM 66 C THR A 5 -16.407 13.140 3.936 1.00 0.00 C ATOM 67 O THR A 5 -17.066 13.989 4.524 1.00 0.00 O ATOM 68 CB THR A 5 -17.947 12.709 1.975 1.00 0.00 C ATOM 69 OG1 THR A 5 -18.251 11.305 2.116 1.00 0.00 O ATOM 70 CG2 THR A 5 -18.147 13.130 0.528 1.00 0.00 C ATOM 0 H THR A 5 -16.157 10.928 2.098 1.00 0.00 H new ATOM 0 HA THR A 5 -16.132 13.864 1.953 1.00 0.00 H new ATOM 0 HB THR A 5 -18.613 13.305 2.599 1.00 0.00 H new ATOM 0 HG1 THR A 5 -19.175 11.141 1.835 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.182 12.949 0.236 1.00 0.00 H new ATOM 0 HG22 THR A 5 -17.920 14.191 0.423 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.483 12.552 -0.114 1.00 0.00 H new ATOM 78 N HIS A 6 -15.562 12.347 4.538 1.00 0.00 N ATOM 79 CA HIS A 6 -15.327 12.384 5.951 1.00 0.00 C ATOM 80 C HIS A 6 -14.022 13.184 6.151 1.00 0.00 C ATOM 81 O HIS A 6 -13.185 13.227 5.236 1.00 0.00 O ATOM 82 CB HIS A 6 -15.210 10.921 6.452 1.00 0.00 C ATOM 83 CG HIS A 6 -15.298 10.705 7.944 1.00 0.00 C ATOM 84 ND1 HIS A 6 -15.294 9.456 8.530 1.00 0.00 N ATOM 85 CD2 HIS A 6 -15.378 11.586 8.969 1.00 0.00 C ATOM 86 CE1 HIS A 6 -15.359 9.614 9.847 1.00 0.00 C ATOM 87 NE2 HIS A 6 -15.414 10.890 10.169 1.00 0.00 N ATOM 0 H HIS A 6 -15.008 11.644 4.048 1.00 0.00 H new ATOM 0 HA HIS A 6 -16.128 12.861 6.516 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -15.996 10.335 5.977 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -14.258 10.518 6.106 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -15.409 12.661 8.869 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -15.366 8.803 10.560 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -15.471 11.285 11.108 1.00 0.00 H new ATOM 95 N GLU A 7 -13.878 13.855 7.284 1.00 0.00 N ATOM 96 CA GLU A 7 -12.711 14.701 7.578 1.00 0.00 C ATOM 97 C GLU A 7 -11.410 13.903 7.685 1.00 0.00 C ATOM 98 O GLU A 7 -11.087 13.369 8.752 1.00 0.00 O ATOM 99 CB GLU A 7 -12.927 15.486 8.862 1.00 0.00 C ATOM 100 CG GLU A 7 -14.124 16.402 8.846 1.00 0.00 C ATOM 101 CD GLU A 7 -14.290 17.122 10.150 1.00 0.00 C ATOM 102 OE1 GLU A 7 -13.540 18.087 10.406 1.00 0.00 O ATOM 103 OE2 GLU A 7 -15.172 16.740 10.947 1.00 0.00 O ATOM 0 H GLU A 7 -14.567 13.833 8.036 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.611 15.385 6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.036 14.783 9.688 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.035 16.079 9.064 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.015 17.128 8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.022 15.823 8.633 1.00 0.00 H new ATOM 110 N THR A 8 -10.719 13.770 6.554 1.00 0.00 N ATOM 111 CA THR A 8 -9.412 13.090 6.423 1.00 0.00 C ATOM 112 C THR A 8 -9.505 11.573 6.707 1.00 0.00 C ATOM 113 O THR A 8 -8.514 10.830 6.717 1.00 0.00 O ATOM 114 CB THR A 8 -8.328 13.781 7.279 1.00 0.00 C ATOM 115 OG1 THR A 8 -8.456 15.206 7.111 1.00 0.00 O ATOM 116 CG2 THR A 8 -6.931 13.378 6.820 1.00 0.00 C ATOM 0 H THR A 8 -11.058 14.143 5.667 1.00 0.00 H new ATOM 0 HA THR A 8 -9.107 13.183 5.381 1.00 0.00 H new ATOM 0 HB THR A 8 -8.462 13.484 8.319 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.776 15.661 7.650 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.186 13.878 7.439 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.815 12.298 6.914 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.792 13.669 5.779 1.00 0.00 H new ATOM 124 N GLU A 9 -10.683 11.134 6.896 1.00 0.00 N ATOM 125 CA GLU A 9 -10.951 9.764 7.072 1.00 0.00 C ATOM 126 C GLU A 9 -11.394 9.256 5.743 1.00 0.00 C ATOM 127 O GLU A 9 -12.313 9.819 5.122 1.00 0.00 O ATOM 128 CB GLU A 9 -12.023 9.568 8.112 1.00 0.00 C ATOM 129 CG GLU A 9 -11.638 9.997 9.523 1.00 0.00 C ATOM 130 CD GLU A 9 -10.510 9.183 10.092 1.00 0.00 C ATOM 131 OE1 GLU A 9 -10.751 8.050 10.541 1.00 0.00 O ATOM 132 OE2 GLU A 9 -9.358 9.670 10.134 1.00 0.00 O ATOM 0 H GLU A 9 -11.510 11.730 6.934 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.072 9.224 7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.909 10.125 7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.300 8.514 8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.352 11.049 9.513 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.508 9.910 10.174 1.00 0.00 H new ATOM 139 N LEU A 10 -10.749 8.251 5.281 1.00 0.00 N ATOM 140 CA LEU A 10 -11.022 7.777 3.982 1.00 0.00 C ATOM 141 C LEU A 10 -11.741 6.483 4.099 1.00 0.00 C ATOM 142 O LEU A 10 -11.862 5.933 5.196 1.00 0.00 O ATOM 143 CB LEU A 10 -9.749 7.583 3.152 1.00 0.00 C ATOM 144 CG LEU A 10 -8.589 8.558 3.369 1.00 0.00 C ATOM 145 CD1 LEU A 10 -7.688 8.075 4.495 1.00 0.00 C ATOM 146 CD2 LEU A 10 -7.803 8.735 2.090 1.00 0.00 C ATOM 0 H LEU A 10 -10.026 7.740 5.787 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.629 8.521 3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.378 6.576 3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.028 7.626 2.099 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.999 9.526 3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.869 8.781 4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.265 8.002 5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.283 7.095 4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.982 9.431 2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.402 7.772 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.457 9.130 1.313 1.00 0.00 H new ATOM 158 N THR A 11 -12.209 5.983 3.008 1.00 0.00 N ATOM 159 CA THR A 11 -12.906 4.756 3.035 1.00 0.00 C ATOM 160 C THR A 11 -12.019 3.688 2.466 1.00 0.00 C ATOM 161 O THR A 11 -10.884 3.976 2.038 1.00 0.00 O ATOM 162 CB THR A 11 -14.230 4.837 2.259 1.00 0.00 C ATOM 163 OG1 THR A 11 -13.955 4.968 0.864 1.00 0.00 O ATOM 164 CG2 THR A 11 -15.026 6.051 2.701 1.00 0.00 C ATOM 0 H THR A 11 -12.118 6.410 2.086 1.00 0.00 H new ATOM 0 HA THR A 11 -13.161 4.516 4.067 1.00 0.00 H new ATOM 0 HB THR A 11 -14.802 3.930 2.454 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.745 4.702 0.348 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.961 6.096 2.143 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.242 5.976 3.767 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.447 6.955 2.511 1.00 0.00 H new ATOM 172 N PHE A 12 -12.520 2.486 2.439 1.00 0.00 N ATOM 173 CA PHE A 12 -11.756 1.367 1.976 1.00 0.00 C ATOM 174 C PHE A 12 -11.335 1.540 0.511 1.00 0.00 C ATOM 175 O PHE A 12 -10.219 1.225 0.112 1.00 0.00 O ATOM 176 CB PHE A 12 -12.518 0.062 2.199 1.00 0.00 C ATOM 177 CG PHE A 12 -11.735 -1.151 1.825 1.00 0.00 C ATOM 178 CD1 PHE A 12 -10.514 -1.398 2.411 1.00 0.00 C ATOM 179 CD2 PHE A 12 -12.215 -2.040 0.896 1.00 0.00 C ATOM 180 CE1 PHE A 12 -9.781 -2.505 2.075 1.00 0.00 C ATOM 181 CE2 PHE A 12 -11.486 -3.161 0.555 1.00 0.00 C ATOM 182 CZ PHE A 12 -10.262 -3.393 1.150 1.00 0.00 C ATOM 0 H PHE A 12 -13.468 2.256 2.737 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.839 1.319 2.563 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.804 -0.008 3.248 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.440 0.084 1.618 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.128 -0.708 3.147 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -13.172 -1.861 0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.822 -2.678 2.540 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -11.872 -3.856 -0.176 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.688 -4.269 0.888 1.00 0.00 H new ATOM 192 N ASP A 13 -12.254 2.134 -0.239 1.00 0.00 N ATOM 193 CA ASP A 13 -12.019 2.485 -1.649 1.00 0.00 C ATOM 194 C ASP A 13 -10.906 3.493 -1.769 1.00 0.00 C ATOM 195 O ASP A 13 -10.011 3.355 -2.591 1.00 0.00 O ATOM 196 CB ASP A 13 -13.263 3.089 -2.327 1.00 0.00 C ATOM 197 CG ASP A 13 -14.395 2.130 -2.589 1.00 0.00 C ATOM 198 OD1 ASP A 13 -15.460 2.257 -1.936 1.00 0.00 O ATOM 199 OD2 ASP A 13 -14.265 1.264 -3.476 1.00 0.00 O ATOM 0 H ASP A 13 -13.181 2.388 0.103 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.759 1.551 -2.146 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.636 3.901 -1.703 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -12.958 3.531 -3.276 1.00 0.00 H new ATOM 204 N GLN A 14 -10.934 4.457 -0.882 1.00 0.00 N ATOM 205 CA GLN A 14 -10.046 5.599 -0.941 1.00 0.00 C ATOM 206 C GLN A 14 -8.652 5.193 -0.550 1.00 0.00 C ATOM 207 O GLN A 14 -7.664 5.648 -1.124 1.00 0.00 O ATOM 208 CB GLN A 14 -10.549 6.688 -0.028 1.00 0.00 C ATOM 209 CG GLN A 14 -11.978 7.108 -0.291 1.00 0.00 C ATOM 210 CD GLN A 14 -12.211 7.552 -1.705 1.00 0.00 C ATOM 211 OE1 GLN A 14 -12.063 8.819 -1.946 1.00 0.00 O flip ATOM 212 NE2 GLN A 14 -12.566 6.766 -2.561 1.00 0.00 N flip ATOM 0 H GLN A 14 -11.578 4.474 -0.091 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.024 5.978 -1.963 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.466 6.348 1.004 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.902 7.559 -0.129 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.643 6.275 -0.064 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.242 7.920 0.387 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.671 5.777 -2.333 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -12.759 7.095 -3.507 1.00 0.00 H new ATOM 221 N VAL A 15 -8.574 4.350 0.453 1.00 0.00 N ATOM 222 CA VAL A 15 -7.319 3.907 0.951 1.00 0.00 C ATOM 223 C VAL A 15 -6.708 3.000 -0.060 1.00 0.00 C ATOM 224 O VAL A 15 -5.499 3.034 -0.290 1.00 0.00 O ATOM 225 CB VAL A 15 -7.403 3.239 2.338 1.00 0.00 C ATOM 226 CG1 VAL A 15 -6.072 2.638 2.669 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.736 4.270 3.396 1.00 0.00 C ATOM 0 H VAL A 15 -9.383 3.960 0.937 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.687 4.782 1.106 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.179 2.474 2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.121 2.163 3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.812 1.893 1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.313 3.420 2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.792 3.786 4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.960 5.035 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.696 4.732 3.164 1.00 0.00 H new ATOM 237 N LYS A 16 -7.523 2.203 -0.676 1.00 0.00 N ATOM 238 CA LYS A 16 -7.078 1.393 -1.738 1.00 0.00 C ATOM 239 C LYS A 16 -6.464 2.242 -2.823 1.00 0.00 C ATOM 240 O LYS A 16 -5.372 1.975 -3.248 1.00 0.00 O ATOM 241 CB LYS A 16 -8.204 0.533 -2.277 1.00 0.00 C ATOM 242 CG LYS A 16 -8.403 -0.765 -1.507 1.00 0.00 C ATOM 243 CD LYS A 16 -9.352 -1.728 -2.213 1.00 0.00 C ATOM 244 CE LYS A 16 -10.775 -1.210 -2.287 1.00 0.00 C ATOM 245 NZ LYS A 16 -11.659 -2.155 -2.990 1.00 0.00 N ATOM 0 H LYS A 16 -8.512 2.104 -0.449 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.309 0.719 -1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.131 1.106 -2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.002 0.298 -3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.437 -1.251 -1.366 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.794 -0.538 -0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.986 -1.915 -3.223 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.346 -2.684 -1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.153 -1.038 -1.279 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.787 -0.249 -2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.624 -1.769 -3.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.311 -2.300 -3.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.666 -3.064 -2.485 1.00 0.00 H new ATOM 259 N GLU A 17 -7.127 3.308 -3.208 1.00 0.00 N ATOM 260 CA GLU A 17 -6.563 4.194 -4.205 1.00 0.00 C ATOM 261 C GLU A 17 -5.253 4.852 -3.759 1.00 0.00 C ATOM 262 O GLU A 17 -4.410 5.171 -4.608 1.00 0.00 O ATOM 263 CB GLU A 17 -7.538 5.245 -4.693 1.00 0.00 C ATOM 264 CG GLU A 17 -8.757 4.691 -5.388 1.00 0.00 C ATOM 265 CD GLU A 17 -9.538 5.772 -6.071 1.00 0.00 C ATOM 266 OE1 GLU A 17 -10.124 6.632 -5.394 1.00 0.00 O ATOM 267 OE2 GLU A 17 -9.575 5.802 -7.311 1.00 0.00 O ATOM 0 H GLU A 17 -8.044 3.582 -2.854 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.335 3.539 -5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.861 5.846 -3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.018 5.915 -5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.452 3.943 -6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.393 4.185 -4.662 1.00 0.00 H new ATOM 274 N GLN A 18 -5.054 5.048 -2.431 1.00 0.00 N ATOM 275 CA GLN A 18 -3.846 5.692 -1.966 1.00 0.00 C ATOM 276 C GLN A 18 -2.689 4.755 -2.171 1.00 0.00 C ATOM 277 O GLN A 18 -1.688 5.079 -2.824 1.00 0.00 O ATOM 278 CB GLN A 18 -3.976 6.293 -0.530 1.00 0.00 C ATOM 279 CG GLN A 18 -3.896 5.350 0.638 1.00 0.00 C ATOM 280 CD GLN A 18 -4.001 6.081 1.967 1.00 0.00 C ATOM 281 OE1 GLN A 18 -3.002 6.480 2.551 1.00 0.00 O ATOM 282 NE2 GLN A 18 -5.200 6.302 2.435 1.00 0.00 N ATOM 0 H GLN A 18 -5.707 4.771 -1.698 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.652 6.581 -2.566 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.193 7.042 -0.409 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.930 6.817 -0.472 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.696 4.613 0.565 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.954 4.803 0.598 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.016 5.959 1.929 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.320 6.818 3.307 1.00 0.00 H new ATOM 291 N LEU A 19 -2.886 3.578 -1.688 1.00 0.00 N ATOM 292 CA LEU A 19 -1.939 2.527 -1.739 1.00 0.00 C ATOM 293 C LEU A 19 -1.684 2.050 -3.161 1.00 0.00 C ATOM 294 O LEU A 19 -0.535 1.837 -3.559 1.00 0.00 O ATOM 295 CB LEU A 19 -2.465 1.421 -0.892 1.00 0.00 C ATOM 296 CG LEU A 19 -2.263 1.541 0.612 1.00 0.00 C ATOM 297 CD1 LEU A 19 -3.026 0.456 1.311 1.00 0.00 C ATOM 298 CD2 LEU A 19 -0.783 1.456 0.968 1.00 0.00 C ATOM 0 H LEU A 19 -3.755 3.313 -1.225 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.977 2.880 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.534 1.328 -1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.000 0.492 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.635 2.512 0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.880 0.544 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.087 0.551 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.667 -0.516 0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.663 1.544 2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.383 0.498 0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.243 2.265 0.476 1.00 0.00 H new ATOM 310 N THR A 20 -2.751 1.929 -3.917 1.00 0.00 N ATOM 311 CA THR A 20 -2.689 1.493 -5.296 1.00 0.00 C ATOM 312 C THR A 20 -1.797 2.399 -6.112 1.00 0.00 C ATOM 313 O THR A 20 -0.851 1.929 -6.734 1.00 0.00 O ATOM 314 CB THR A 20 -4.112 1.448 -5.910 1.00 0.00 C ATOM 315 OG1 THR A 20 -4.844 0.352 -5.366 1.00 0.00 O ATOM 316 CG2 THR A 20 -4.102 1.400 -7.434 1.00 0.00 C ATOM 0 H THR A 20 -3.696 2.132 -3.590 1.00 0.00 H new ATOM 0 HA THR A 20 -2.263 0.490 -5.315 1.00 0.00 H new ATOM 0 HB THR A 20 -4.609 2.380 -5.642 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.403 0.037 -4.550 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.127 1.370 -7.804 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.602 2.287 -7.823 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.570 0.509 -7.766 1.00 0.00 H new ATOM 324 N GLU A 21 -2.039 3.687 -6.020 1.00 0.00 N ATOM 325 CA GLU A 21 -1.305 4.654 -6.807 1.00 0.00 C ATOM 326 C GLU A 21 0.170 4.614 -6.423 1.00 0.00 C ATOM 327 O GLU A 21 1.054 4.642 -7.269 1.00 0.00 O ATOM 328 CB GLU A 21 -1.869 6.029 -6.545 1.00 0.00 C ATOM 329 CG GLU A 21 -1.241 7.124 -7.382 1.00 0.00 C ATOM 330 CD GLU A 21 -1.576 8.503 -6.887 1.00 0.00 C ATOM 331 OE1 GLU A 21 -0.637 9.253 -6.484 1.00 0.00 O ATOM 332 OE2 GLU A 21 -2.780 8.858 -6.856 1.00 0.00 O ATOM 0 H GLU A 21 -2.744 4.092 -5.404 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.399 4.417 -7.867 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.942 6.012 -6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.735 6.270 -5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.158 6.997 -7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.576 7.023 -8.414 1.00 0.00 H new ATOM 339 N SER A 22 0.387 4.485 -5.145 1.00 0.00 N ATOM 340 CA SER A 22 1.725 4.480 -4.570 1.00 0.00 C ATOM 341 C SER A 22 2.520 3.296 -5.080 1.00 0.00 C ATOM 342 O SER A 22 3.668 3.442 -5.518 1.00 0.00 O ATOM 343 CB SER A 22 1.647 4.483 -3.044 1.00 0.00 C ATOM 344 OG SER A 22 0.935 5.638 -2.589 1.00 0.00 O ATOM 0 H SER A 22 -0.359 4.379 -4.457 1.00 0.00 H new ATOM 0 HA SER A 22 2.244 5.386 -4.882 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.148 3.579 -2.696 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.652 4.476 -2.621 1.00 0.00 H new ATOM 0 HG SER A 22 -0.007 5.407 -2.447 1.00 0.00 H new ATOM 350 N GLY A 23 1.888 2.139 -5.085 1.00 0.00 N ATOM 351 CA GLY A 23 2.505 0.955 -5.583 1.00 0.00 C ATOM 352 C GLY A 23 2.781 1.057 -7.050 1.00 0.00 C ATOM 353 O GLY A 23 3.767 0.564 -7.523 1.00 0.00 O ATOM 0 H GLY A 23 0.936 2.007 -4.742 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.438 0.776 -5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.859 0.098 -5.392 1.00 0.00 H new ATOM 357 N LYS A 24 1.881 1.710 -7.752 1.00 0.00 N ATOM 358 CA LYS A 24 2.009 1.942 -9.176 1.00 0.00 C ATOM 359 C LYS A 24 3.190 2.826 -9.530 1.00 0.00 C ATOM 360 O LYS A 24 3.851 2.607 -10.545 1.00 0.00 O ATOM 361 CB LYS A 24 0.715 2.521 -9.698 1.00 0.00 C ATOM 362 CG LYS A 24 -0.416 1.519 -9.639 1.00 0.00 C ATOM 363 CD LYS A 24 -0.278 0.462 -10.730 1.00 0.00 C ATOM 364 CE LYS A 24 -0.553 1.055 -12.093 1.00 0.00 C ATOM 365 NZ LYS A 24 -0.129 0.188 -13.217 1.00 0.00 N ATOM 0 H LYS A 24 1.030 2.100 -7.347 1.00 0.00 H new ATOM 0 HA LYS A 24 2.207 0.984 -9.657 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.450 3.402 -9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.854 2.851 -10.727 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.427 1.037 -8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.369 2.036 -9.749 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.727 0.040 -10.708 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.971 -0.357 -10.539 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.621 1.256 -12.183 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.041 2.014 -12.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.778 0.318 -14.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.836 0.444 -13.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.147 -0.807 -12.914 1.00 0.00 H new ATOM 379 N LYS A 25 3.463 3.803 -8.699 1.00 0.00 N ATOM 380 CA LYS A 25 4.546 4.737 -8.918 1.00 0.00 C ATOM 381 C LYS A 25 5.895 4.109 -8.601 1.00 0.00 C ATOM 382 O LYS A 25 6.907 4.434 -9.216 1.00 0.00 O ATOM 383 CB LYS A 25 4.262 6.012 -8.108 1.00 0.00 C ATOM 384 CG LYS A 25 3.046 6.761 -8.659 1.00 0.00 C ATOM 385 CD LYS A 25 2.265 7.544 -7.605 1.00 0.00 C ATOM 386 CE LYS A 25 3.011 8.697 -6.989 1.00 0.00 C ATOM 387 NZ LYS A 25 2.141 9.428 -6.023 1.00 0.00 N ATOM 0 H LYS A 25 2.936 3.975 -7.843 1.00 0.00 H new ATOM 0 HA LYS A 25 4.601 5.009 -9.972 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.089 5.751 -7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.135 6.664 -8.133 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.378 7.450 -9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.376 6.044 -9.134 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.350 7.924 -8.060 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.966 6.859 -6.812 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.902 8.330 -6.479 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.349 9.378 -7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.374 10.441 -6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.143 9.296 -6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.299 9.057 -5.064 1.00 0.00 H new ATOM 401 N ARG A 26 5.896 3.214 -7.642 1.00 0.00 N ATOM 402 CA ARG A 26 7.119 2.547 -7.235 1.00 0.00 C ATOM 403 C ARG A 26 7.375 1.267 -8.023 1.00 0.00 C ATOM 404 O ARG A 26 8.437 1.047 -8.601 1.00 0.00 O ATOM 405 CB ARG A 26 7.050 2.153 -5.780 1.00 0.00 C ATOM 406 CG ARG A 26 6.732 3.244 -4.800 1.00 0.00 C ATOM 407 CD ARG A 26 6.680 2.618 -3.441 1.00 0.00 C ATOM 408 NE ARG A 26 6.181 3.478 -2.396 1.00 0.00 N ATOM 409 CZ ARG A 26 5.708 3.001 -1.250 1.00 0.00 C ATOM 410 NH1 ARG A 26 5.762 1.687 -1.011 1.00 0.00 N ATOM 411 NH2 ARG A 26 5.186 3.803 -0.353 1.00 0.00 N ATOM 0 H ARG A 26 5.064 2.928 -7.126 1.00 0.00 H new ATOM 0 HA ARG A 26 7.921 3.261 -7.421 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.298 1.371 -5.675 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.008 1.714 -5.501 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.491 4.025 -4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.779 3.714 -5.044 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.052 1.728 -3.490 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.683 2.286 -3.171 1.00 0.00 H new ATOM 0 HE ARG A 26 6.192 4.487 -2.542 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.164 1.058 -1.706 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.401 1.313 -0.133 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.140 4.806 -0.531 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.826 3.423 0.523 1.00 0.00 H new ATOM 425 N GLY A 27 6.352 0.432 -8.016 1.00 0.00 N ATOM 426 CA GLY A 27 6.384 -0.881 -8.591 1.00 0.00 C ATOM 427 C GLY A 27 6.295 -1.916 -7.509 1.00 0.00 C ATOM 428 O GLY A 27 6.242 -3.123 -7.775 1.00 0.00 O ATOM 0 H GLY A 27 5.453 0.665 -7.595 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.556 -1.001 -9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.304 -1.016 -9.160 1.00 0.00 H new ATOM 432 N VAL A 28 6.228 -1.448 -6.274 1.00 0.00 N ATOM 433 CA VAL A 28 6.236 -2.328 -5.148 1.00 0.00 C ATOM 434 C VAL A 28 5.657 -1.644 -3.914 1.00 0.00 C ATOM 435 O VAL A 28 5.717 -0.410 -3.777 1.00 0.00 O ATOM 436 CB VAL A 28 7.686 -2.780 -4.867 1.00 0.00 C ATOM 437 CG1 VAL A 28 8.579 -1.649 -4.399 1.00 0.00 C ATOM 438 CG2 VAL A 28 7.732 -3.926 -3.942 1.00 0.00 C ATOM 0 H VAL A 28 6.168 -0.457 -6.039 1.00 0.00 H new ATOM 0 HA VAL A 28 5.615 -3.194 -5.376 1.00 0.00 H new ATOM 0 HB VAL A 28 8.089 -3.111 -5.824 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.584 -2.030 -4.218 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.617 -0.874 -5.165 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.179 -1.228 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.769 -4.213 -3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.271 -3.648 -2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.190 -4.766 -4.376 1.00 0.00 H new ATOM 448 N LEU A 29 5.077 -2.437 -3.063 1.00 0.00 N ATOM 449 CA LEU A 29 4.557 -1.996 -1.799 1.00 0.00 C ATOM 450 C LEU A 29 4.910 -3.017 -0.743 1.00 0.00 C ATOM 451 O LEU A 29 4.987 -4.198 -1.047 1.00 0.00 O ATOM 452 CB LEU A 29 3.032 -1.874 -1.842 1.00 0.00 C ATOM 453 CG LEU A 29 2.414 -0.693 -2.579 1.00 0.00 C ATOM 454 CD1 LEU A 29 0.917 -0.892 -2.676 1.00 0.00 C ATOM 455 CD2 LEU A 29 2.685 0.600 -1.839 1.00 0.00 C ATOM 0 H LEU A 29 4.948 -3.435 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 29 4.989 -1.021 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.640 -2.786 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.673 -1.846 -0.813 1.00 0.00 H new ATOM 0 HG LEU A 29 2.857 -0.635 -3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.471 -0.048 -3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.707 -1.812 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.493 -0.959 -1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.235 1.431 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.254 0.544 -0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.761 0.757 -1.762 1.00 0.00 H new ATOM 467 N THR A 30 5.170 -2.575 0.452 1.00 0.00 N ATOM 468 CA THR A 30 5.338 -3.478 1.560 1.00 0.00 C ATOM 469 C THR A 30 3.958 -3.918 2.065 1.00 0.00 C ATOM 470 O THR A 30 3.036 -3.097 2.134 1.00 0.00 O ATOM 471 CB THR A 30 6.153 -2.851 2.735 1.00 0.00 C ATOM 472 OG1 THR A 30 5.634 -1.582 3.138 1.00 0.00 O ATOM 473 CG2 THR A 30 7.612 -2.724 2.398 1.00 0.00 C ATOM 0 H THR A 30 5.272 -1.588 0.689 1.00 0.00 H new ATOM 0 HA THR A 30 5.908 -4.334 1.200 1.00 0.00 H new ATOM 0 HB THR A 30 6.050 -3.540 3.573 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.584 -0.987 2.361 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.143 -2.284 3.242 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.023 -3.711 2.185 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.729 -2.086 1.522 1.00 0.00 H new ATOM 481 N TYR A 31 3.815 -5.194 2.406 1.00 0.00 N ATOM 482 CA TYR A 31 2.536 -5.737 2.912 1.00 0.00 C ATOM 483 C TYR A 31 2.031 -4.951 4.107 1.00 0.00 C ATOM 484 O TYR A 31 0.832 -4.698 4.243 1.00 0.00 O ATOM 485 CB TYR A 31 2.656 -7.208 3.348 1.00 0.00 C ATOM 486 CG TYR A 31 2.846 -8.232 2.250 1.00 0.00 C ATOM 487 CD1 TYR A 31 4.065 -8.853 2.058 1.00 0.00 C ATOM 488 CD2 TYR A 31 1.791 -8.604 1.432 1.00 0.00 C ATOM 489 CE1 TYR A 31 4.237 -9.814 1.089 1.00 0.00 C ATOM 490 CE2 TYR A 31 1.952 -9.564 0.452 1.00 0.00 C ATOM 491 CZ TYR A 31 3.177 -10.169 0.287 1.00 0.00 C ATOM 492 OH TYR A 31 3.341 -11.145 -0.677 1.00 0.00 O ATOM 0 H TYR A 31 4.565 -5.883 2.345 1.00 0.00 H new ATOM 0 HA TYR A 31 1.838 -5.656 2.078 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.496 -7.290 4.038 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.758 -7.471 3.906 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.902 -8.578 2.683 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.827 -8.135 1.563 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.199 -10.287 0.958 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.121 -9.838 -0.181 1.00 0.00 H new ATOM 0 HH TYR A 31 2.496 -11.277 -1.156 1.00 0.00 H new ATOM 502 N GLU A 32 2.947 -4.520 4.940 1.00 0.00 N ATOM 503 CA GLU A 32 2.568 -3.905 6.167 1.00 0.00 C ATOM 504 C GLU A 32 2.128 -2.451 5.993 1.00 0.00 C ATOM 505 O GLU A 32 1.290 -1.981 6.741 1.00 0.00 O ATOM 506 CB GLU A 32 3.650 -4.064 7.214 1.00 0.00 C ATOM 507 CG GLU A 32 3.128 -3.894 8.623 1.00 0.00 C ATOM 508 CD GLU A 32 4.144 -4.245 9.645 1.00 0.00 C ATOM 509 OE1 GLU A 32 4.446 -3.409 10.509 1.00 0.00 O ATOM 510 OE2 GLU A 32 4.671 -5.381 9.600 1.00 0.00 O ATOM 0 H GLU A 32 3.953 -4.588 4.783 1.00 0.00 H new ATOM 0 HA GLU A 32 1.685 -4.432 6.529 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.103 -5.050 7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.437 -3.332 7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.811 -2.861 8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.247 -4.520 8.760 1.00 0.00 H new ATOM 517 N GLU A 33 2.618 -1.751 4.962 1.00 0.00 N ATOM 518 CA GLU A 33 2.170 -0.368 4.763 1.00 0.00 C ATOM 519 C GLU A 33 0.759 -0.417 4.211 1.00 0.00 C ATOM 520 O GLU A 33 -0.057 0.487 4.420 1.00 0.00 O ATOM 521 CB GLU A 33 3.103 0.436 3.838 1.00 0.00 C ATOM 522 CG GLU A 33 3.051 0.052 2.373 1.00 0.00 C ATOM 523 CD GLU A 33 4.094 0.756 1.560 1.00 0.00 C ATOM 524 OE1 GLU A 33 5.048 0.090 1.090 1.00 0.00 O ATOM 525 OE2 GLU A 33 4.001 1.984 1.372 1.00 0.00 O ATOM 0 H GLU A 33 3.294 -2.099 4.281 1.00 0.00 H new ATOM 0 HA GLU A 33 2.193 0.154 5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.854 1.493 3.928 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.127 0.318 4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.186 -1.025 2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.064 0.286 1.974 1.00 0.00 H new ATOM 532 N ILE A 34 0.472 -1.524 3.547 1.00 0.00 N ATOM 533 CA ILE A 34 -0.824 -1.798 3.021 1.00 0.00 C ATOM 534 C ILE A 34 -1.790 -2.045 4.156 1.00 0.00 C ATOM 535 O ILE A 34 -2.888 -1.490 4.174 1.00 0.00 O ATOM 536 CB ILE A 34 -0.797 -2.994 2.054 1.00 0.00 C ATOM 537 CG1 ILE A 34 0.127 -2.678 0.878 1.00 0.00 C ATOM 538 CG2 ILE A 34 -2.201 -3.312 1.569 1.00 0.00 C ATOM 539 CD1 ILE A 34 0.317 -3.820 -0.082 1.00 0.00 C ATOM 0 H ILE A 34 1.154 -2.260 3.364 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.157 -0.930 2.451 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.415 -3.872 2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.276 -1.824 0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.101 -2.379 1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.166 -4.160 0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.833 -3.559 2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.612 -2.445 1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.986 -3.512 -0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.750 -4.670 0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.647 -4.107 -0.502 1.00 0.00 H new ATOM 551 N ALA A 35 -1.350 -2.815 5.165 1.00 0.00 N ATOM 552 CA ALA A 35 -2.132 -3.123 6.339 1.00 0.00 C ATOM 553 C ALA A 35 -2.333 -1.876 7.176 1.00 0.00 C ATOM 554 O ALA A 35 -3.385 -1.664 7.786 1.00 0.00 O ATOM 555 CB ALA A 35 -1.458 -4.215 7.155 1.00 0.00 C ATOM 0 H ALA A 35 -0.423 -3.241 5.173 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.109 -3.488 6.023 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.061 -4.435 8.036 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.361 -5.115 6.548 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.469 -3.879 7.466 1.00 0.00 H new ATOM 561 N GLU A 36 -1.312 -1.032 7.141 1.00 0.00 N ATOM 562 CA GLU A 36 -1.190 0.164 7.940 1.00 0.00 C ATOM 563 C GLU A 36 -2.325 1.118 7.687 1.00 0.00 C ATOM 564 O GLU A 36 -2.984 1.554 8.607 1.00 0.00 O ATOM 565 CB GLU A 36 0.123 0.843 7.579 1.00 0.00 C ATOM 566 CG GLU A 36 0.370 2.179 8.226 1.00 0.00 C ATOM 567 CD GLU A 36 1.570 2.847 7.629 1.00 0.00 C ATOM 568 OE1 GLU A 36 1.404 3.663 6.685 1.00 0.00 O ATOM 569 OE2 GLU A 36 2.687 2.576 8.068 1.00 0.00 O ATOM 0 H GLU A 36 -0.513 -1.175 6.524 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.216 -0.113 8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.941 0.174 7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.158 0.973 6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.506 2.816 8.101 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.518 2.047 9.298 1.00 0.00 H new ATOM 576 N ARG A 37 -2.568 1.431 6.434 1.00 0.00 N ATOM 577 CA ARG A 37 -3.599 2.386 6.087 1.00 0.00 C ATOM 578 C ARG A 37 -4.986 1.783 6.299 1.00 0.00 C ATOM 579 O ARG A 37 -5.964 2.498 6.489 1.00 0.00 O ATOM 580 CB ARG A 37 -3.427 2.826 4.636 1.00 0.00 C ATOM 581 CG ARG A 37 -2.034 3.311 4.289 1.00 0.00 C ATOM 582 CD ARG A 37 -1.658 4.586 5.022 1.00 0.00 C ATOM 583 NE ARG A 37 -0.220 4.861 4.898 1.00 0.00 N ATOM 584 CZ ARG A 37 0.338 5.861 4.192 1.00 0.00 C ATOM 585 NH1 ARG A 37 -0.409 6.685 3.469 1.00 0.00 N ATOM 586 NH2 ARG A 37 1.657 6.008 4.195 1.00 0.00 N ATOM 0 H ARG A 37 -2.066 1.039 5.637 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.504 3.256 6.737 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.681 1.991 3.983 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.139 3.623 4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.312 2.531 4.531 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.971 3.482 3.214 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.228 5.423 4.619 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.925 4.496 6.075 1.00 0.00 H new ATOM 0 HE ARG A 37 0.415 4.235 5.394 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.422 6.565 3.443 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.029 7.438 2.939 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.241 5.365 4.730 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.087 6.764 3.662 1.00 0.00 H new ATOM 600 N MET A 38 -5.051 0.463 6.307 1.00 0.00 N ATOM 601 CA MET A 38 -6.319 -0.243 6.474 1.00 0.00 C ATOM 602 C MET A 38 -6.674 -0.420 7.945 1.00 0.00 C ATOM 603 O MET A 38 -7.701 -1.001 8.262 1.00 0.00 O ATOM 604 CB MET A 38 -6.303 -1.617 5.792 1.00 0.00 C ATOM 605 CG MET A 38 -6.009 -1.589 4.309 1.00 0.00 C ATOM 606 SD MET A 38 -7.211 -0.644 3.367 1.00 0.00 S ATOM 607 CE MET A 38 -6.573 -0.887 1.715 1.00 0.00 C ATOM 0 H MET A 38 -4.241 -0.147 6.200 1.00 0.00 H new ATOM 0 HA MET A 38 -7.077 0.378 5.996 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.557 -2.242 6.284 1.00 0.00 H new ATOM 0 HB3 MET A 38 -7.271 -2.094 5.947 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.018 -1.165 4.150 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.983 -2.611 3.931 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.766 0.003 1.116 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.499 -1.066 1.762 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.064 -1.746 1.258 1.00 0.00 H new ATOM 617 N SER A 39 -5.847 0.119 8.839 1.00 0.00 N ATOM 618 CA SER A 39 -6.064 -0.007 10.287 1.00 0.00 C ATOM 619 C SER A 39 -7.328 0.734 10.745 1.00 0.00 C ATOM 620 O SER A 39 -7.851 0.496 11.840 1.00 0.00 O ATOM 621 CB SER A 39 -4.839 0.499 11.048 1.00 0.00 C ATOM 622 OG SER A 39 -4.532 1.837 10.677 1.00 0.00 O ATOM 0 H SER A 39 -5.014 0.651 8.588 1.00 0.00 H new ATOM 0 HA SER A 39 -6.212 -1.064 10.509 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.025 0.448 12.121 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.985 -0.146 10.841 1.00 0.00 H new ATOM 0 HG SER A 39 -3.917 1.832 9.914 1.00 0.00 H new ATOM 628 N SER A 40 -7.807 1.633 9.907 1.00 0.00 N ATOM 629 CA SER A 40 -9.018 2.362 10.172 1.00 0.00 C ATOM 630 C SER A 40 -10.236 1.437 9.966 1.00 0.00 C ATOM 631 O SER A 40 -11.327 1.681 10.486 1.00 0.00 O ATOM 632 CB SER A 40 -9.082 3.553 9.220 1.00 0.00 C ATOM 633 OG SER A 40 -7.868 4.316 9.280 1.00 0.00 O ATOM 0 H SER A 40 -7.361 1.874 9.022 1.00 0.00 H new ATOM 0 HA SER A 40 -9.030 2.718 11.202 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.247 3.202 8.201 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.929 4.187 9.480 1.00 0.00 H new ATOM 0 HG SER A 40 -7.927 5.074 8.662 1.00 0.00 H new ATOM 639 N PHE A 41 -10.027 0.376 9.217 1.00 0.00 N ATOM 640 CA PHE A 41 -11.065 -0.582 8.907 1.00 0.00 C ATOM 641 C PHE A 41 -10.719 -1.895 9.591 1.00 0.00 C ATOM 642 O PHE A 41 -9.718 -1.986 10.308 1.00 0.00 O ATOM 643 CB PHE A 41 -11.108 -0.806 7.389 1.00 0.00 C ATOM 644 CG PHE A 41 -10.954 0.450 6.620 1.00 0.00 C ATOM 645 CD1 PHE A 41 -9.800 0.670 5.906 1.00 0.00 C ATOM 646 CD2 PHE A 41 -11.920 1.431 6.656 1.00 0.00 C ATOM 647 CE1 PHE A 41 -9.604 1.838 5.241 1.00 0.00 C ATOM 648 CE2 PHE A 41 -11.736 2.608 5.979 1.00 0.00 C ATOM 649 CZ PHE A 41 -10.569 2.810 5.274 1.00 0.00 C ATOM 0 H PHE A 41 -9.122 0.152 8.802 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.033 -0.216 9.250 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.316 -1.500 7.106 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -12.054 -1.277 7.122 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -9.039 -0.096 5.873 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -12.827 1.272 7.221 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.691 2.000 4.688 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.500 3.372 5.998 1.00 0.00 H new ATOM 0 HZ PHE A 41 -10.415 3.739 4.745 1.00 0.00 H new ATOM 659 N GLU A 42 -11.523 -2.889 9.380 1.00 0.00 N ATOM 660 CA GLU A 42 -11.273 -4.199 9.916 1.00 0.00 C ATOM 661 C GLU A 42 -11.151 -5.159 8.748 1.00 0.00 C ATOM 662 O GLU A 42 -12.069 -5.915 8.435 1.00 0.00 O ATOM 663 CB GLU A 42 -12.399 -4.611 10.877 1.00 0.00 C ATOM 664 CG GLU A 42 -12.603 -3.618 12.014 1.00 0.00 C ATOM 665 CD GLU A 42 -13.742 -3.973 12.927 1.00 0.00 C ATOM 666 OE1 GLU A 42 -14.888 -3.567 12.652 1.00 0.00 O ATOM 667 OE2 GLU A 42 -13.517 -4.632 13.957 1.00 0.00 O ATOM 0 H GLU A 42 -12.378 -2.819 8.828 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.349 -4.211 10.495 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.329 -4.710 10.317 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.172 -5.592 11.295 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.686 -3.555 12.599 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.781 -2.628 11.593 1.00 0.00 H new ATOM 674 N ILE A 43 -10.048 -5.056 8.050 1.00 0.00 N ATOM 675 CA ILE A 43 -9.836 -5.824 6.845 1.00 0.00 C ATOM 676 C ILE A 43 -9.121 -7.113 7.169 1.00 0.00 C ATOM 677 O ILE A 43 -8.008 -7.107 7.698 1.00 0.00 O ATOM 678 CB ILE A 43 -9.009 -5.031 5.799 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.608 -3.653 5.558 1.00 0.00 C ATOM 680 CG2 ILE A 43 -8.893 -5.791 4.489 1.00 0.00 C ATOM 681 CD1 ILE A 43 -11.026 -3.682 5.042 1.00 0.00 C ATOM 0 H ILE A 43 -9.273 -4.441 8.298 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.816 -6.039 6.418 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.006 -4.906 6.208 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.583 -3.089 6.490 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.983 -3.116 4.844 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.307 -5.206 3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.400 -6.747 4.665 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.888 -5.966 4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.381 -2.662 4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -11.057 -4.216 4.093 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.666 -4.189 5.764 1.00 0.00 H new ATOM 693 N GLU A 44 -9.768 -8.191 6.862 1.00 0.00 N ATOM 694 CA GLU A 44 -9.238 -9.530 7.080 1.00 0.00 C ATOM 695 C GLU A 44 -8.133 -9.794 6.086 1.00 0.00 C ATOM 696 O GLU A 44 -8.093 -9.175 5.007 1.00 0.00 O ATOM 697 CB GLU A 44 -10.348 -10.576 6.886 1.00 0.00 C ATOM 698 CG GLU A 44 -11.570 -10.373 7.768 1.00 0.00 C ATOM 699 CD GLU A 44 -12.674 -11.359 7.464 1.00 0.00 C ATOM 700 OE1 GLU A 44 -13.673 -10.979 6.814 1.00 0.00 O ATOM 701 OE2 GLU A 44 -12.569 -12.523 7.853 1.00 0.00 O ATOM 0 H GLU A 44 -10.698 -8.182 6.444 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.853 -9.600 8.097 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.663 -10.563 5.843 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.935 -11.566 7.082 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.279 -10.470 8.814 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.946 -9.359 7.634 1.00 0.00 H new ATOM 708 N SER A 45 -7.256 -10.707 6.423 1.00 0.00 N ATOM 709 CA SER A 45 -6.172 -11.097 5.559 1.00 0.00 C ATOM 710 C SER A 45 -6.696 -11.663 4.238 1.00 0.00 C ATOM 711 O SER A 45 -6.042 -11.539 3.210 1.00 0.00 O ATOM 712 CB SER A 45 -5.282 -12.098 6.276 1.00 0.00 C ATOM 713 OG SER A 45 -4.700 -11.509 7.429 1.00 0.00 O ATOM 0 H SER A 45 -7.276 -11.204 7.313 1.00 0.00 H new ATOM 0 HA SER A 45 -5.579 -10.215 5.317 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.866 -12.973 6.563 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.498 -12.445 5.602 1.00 0.00 H new ATOM 0 HG SER A 45 -4.131 -12.167 7.881 1.00 0.00 H new ATOM 719 N ASP A 46 -7.905 -12.236 4.266 1.00 0.00 N ATOM 720 CA ASP A 46 -8.532 -12.751 3.049 1.00 0.00 C ATOM 721 C ASP A 46 -8.830 -11.593 2.111 1.00 0.00 C ATOM 722 O ASP A 46 -8.490 -11.621 0.929 1.00 0.00 O ATOM 723 CB ASP A 46 -9.826 -13.459 3.362 1.00 0.00 C ATOM 724 CG ASP A 46 -10.282 -14.374 2.228 1.00 0.00 C ATOM 725 OD1 ASP A 46 -9.998 -15.596 2.277 1.00 0.00 O ATOM 726 OD2 ASP A 46 -10.907 -13.896 1.263 1.00 0.00 O ATOM 0 H ASP A 46 -8.463 -12.353 5.112 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.845 -13.459 2.585 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.704 -14.047 4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.602 -12.720 3.562 1.00 0.00 H new ATOM 731 N GLN A 47 -9.404 -10.533 2.679 1.00 0.00 N ATOM 732 CA GLN A 47 -9.755 -9.341 1.917 1.00 0.00 C ATOM 733 C GLN A 47 -8.487 -8.665 1.429 1.00 0.00 C ATOM 734 O GLN A 47 -8.433 -8.133 0.316 1.00 0.00 O ATOM 735 CB GLN A 47 -10.488 -8.339 2.776 1.00 0.00 C ATOM 736 CG GLN A 47 -11.645 -8.874 3.572 1.00 0.00 C ATOM 737 CD GLN A 47 -12.310 -7.790 4.387 1.00 0.00 C ATOM 738 OE1 GLN A 47 -12.382 -6.603 3.857 1.00 0.00 O flip ATOM 739 NE2 GLN A 47 -12.798 -8.039 5.475 1.00 0.00 N flip ATOM 0 H GLN A 47 -9.636 -10.478 3.671 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.390 -9.654 1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.774 -7.891 3.467 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.854 -7.539 2.133 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -12.375 -9.322 2.898 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.296 -9.666 4.235 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -12.725 -8.979 5.864 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.280 -7.307 5.997 1.00 0.00 H new ATOM 748 N MET A 48 -7.470 -8.663 2.292 1.00 0.00 N ATOM 749 CA MET A 48 -6.167 -8.100 1.955 1.00 0.00 C ATOM 750 C MET A 48 -5.566 -8.836 0.784 1.00 0.00 C ATOM 751 O MET A 48 -5.006 -8.228 -0.111 1.00 0.00 O ATOM 752 CB MET A 48 -5.182 -8.150 3.140 1.00 0.00 C ATOM 753 CG MET A 48 -5.348 -7.081 4.223 1.00 0.00 C ATOM 754 SD MET A 48 -4.611 -5.452 3.817 1.00 0.00 S ATOM 755 CE MET A 48 -5.557 -4.884 2.405 1.00 0.00 C ATOM 0 H MET A 48 -7.527 -9.048 3.235 1.00 0.00 H new ATOM 0 HA MET A 48 -6.333 -7.054 1.698 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.269 -9.128 3.613 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.169 -8.077 2.743 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.412 -6.944 4.418 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.899 -7.447 5.146 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.435 -3.807 2.295 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.201 -5.384 1.504 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.611 -5.116 2.556 1.00 0.00 H new ATOM 765 N ASP A 49 -5.724 -10.145 0.786 1.00 0.00 N ATOM 766 CA ASP A 49 -5.181 -11.017 -0.258 1.00 0.00 C ATOM 767 C ASP A 49 -5.813 -10.686 -1.598 1.00 0.00 C ATOM 768 O ASP A 49 -5.137 -10.725 -2.648 1.00 0.00 O ATOM 769 CB ASP A 49 -5.431 -12.475 0.101 1.00 0.00 C ATOM 770 CG ASP A 49 -4.624 -13.447 -0.720 1.00 0.00 C ATOM 771 OD1 ASP A 49 -5.060 -13.803 -1.832 1.00 0.00 O ATOM 772 OD2 ASP A 49 -3.548 -13.900 -0.255 1.00 0.00 O ATOM 0 H ASP A 49 -6.235 -10.645 1.514 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.106 -10.854 -0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.201 -12.625 1.156 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.491 -12.696 -0.029 1.00 0.00 H new ATOM 777 N GLU A 50 -7.106 -10.331 -1.564 1.00 0.00 N ATOM 778 CA GLU A 50 -7.808 -9.904 -2.767 1.00 0.00 C ATOM 779 C GLU A 50 -7.147 -8.654 -3.311 1.00 0.00 C ATOM 780 O GLU A 50 -6.893 -8.526 -4.508 1.00 0.00 O ATOM 781 CB GLU A 50 -9.266 -9.549 -2.510 1.00 0.00 C ATOM 782 CG GLU A 50 -10.152 -10.619 -1.930 1.00 0.00 C ATOM 783 CD GLU A 50 -11.578 -10.127 -1.873 1.00 0.00 C ATOM 784 OE1 GLU A 50 -12.330 -10.340 -2.863 1.00 0.00 O ATOM 785 OE2 GLU A 50 -11.960 -9.469 -0.893 1.00 0.00 O ATOM 0 H GLU A 50 -7.677 -10.333 -0.719 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.765 -10.742 -3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.289 -8.692 -1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.704 -9.225 -3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.093 -11.522 -2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.809 -10.885 -0.930 1.00 0.00 H new ATOM 792 N TYR A 51 -6.830 -7.752 -2.395 1.00 0.00 N ATOM 793 CA TYR A 51 -6.229 -6.493 -2.736 1.00 0.00 C ATOM 794 C TYR A 51 -4.821 -6.733 -3.251 1.00 0.00 C ATOM 795 O TYR A 51 -4.380 -6.051 -4.161 1.00 0.00 O ATOM 796 CB TYR A 51 -6.257 -5.544 -1.545 1.00 0.00 C ATOM 797 CG TYR A 51 -5.708 -4.176 -1.842 1.00 0.00 C ATOM 798 CD1 TYR A 51 -6.124 -3.462 -2.964 1.00 0.00 C ATOM 799 CD2 TYR A 51 -4.786 -3.589 -0.999 1.00 0.00 C ATOM 800 CE1 TYR A 51 -5.623 -2.215 -3.223 1.00 0.00 C ATOM 801 CE2 TYR A 51 -4.287 -2.338 -1.261 1.00 0.00 C ATOM 802 CZ TYR A 51 -4.708 -1.663 -2.373 1.00 0.00 C ATOM 803 OH TYR A 51 -4.203 -0.438 -2.640 1.00 0.00 O ATOM 0 H TYR A 51 -6.987 -7.882 -1.396 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.801 -6.013 -3.530 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.285 -5.444 -1.197 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.685 -5.985 -0.728 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.849 -3.897 -3.636 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.453 -4.122 -0.121 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.950 -1.670 -4.096 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.566 -1.889 -0.593 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.938 0.198 -2.768 1.00 0.00 H new ATOM 813 N TYR A 52 -4.115 -7.698 -2.684 1.00 0.00 N ATOM 814 CA TYR A 52 -2.769 -8.015 -3.124 1.00 0.00 C ATOM 815 C TYR A 52 -2.782 -8.491 -4.558 1.00 0.00 C ATOM 816 O TYR A 52 -1.908 -8.139 -5.351 1.00 0.00 O ATOM 817 CB TYR A 52 -2.072 -9.037 -2.203 1.00 0.00 C ATOM 818 CG TYR A 52 -1.906 -8.564 -0.769 1.00 0.00 C ATOM 819 CD1 TYR A 52 -1.608 -7.240 -0.481 1.00 0.00 C ATOM 820 CD2 TYR A 52 -2.049 -9.442 0.297 1.00 0.00 C ATOM 821 CE1 TYR A 52 -1.469 -6.810 0.818 1.00 0.00 C ATOM 822 CE2 TYR A 52 -1.907 -9.013 1.604 1.00 0.00 C ATOM 823 CZ TYR A 52 -1.621 -7.696 1.857 1.00 0.00 C ATOM 824 OH TYR A 52 -1.489 -7.259 3.161 1.00 0.00 O ATOM 0 H TYR A 52 -4.455 -8.276 -1.915 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.184 -7.097 -3.065 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.646 -9.963 -2.205 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.090 -9.270 -2.614 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.483 -6.536 -1.290 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.275 -10.480 0.102 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.240 -5.774 1.022 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.021 -9.711 2.420 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.297 -6.772 3.426 1.00 0.00 H new ATOM 834 N GLU A 53 -3.791 -9.297 -4.885 1.00 0.00 N ATOM 835 CA GLU A 53 -4.012 -9.776 -6.237 1.00 0.00 C ATOM 836 C GLU A 53 -4.326 -8.600 -7.156 1.00 0.00 C ATOM 837 O GLU A 53 -3.759 -8.477 -8.235 1.00 0.00 O ATOM 838 CB GLU A 53 -5.178 -10.775 -6.240 1.00 0.00 C ATOM 839 CG GLU A 53 -5.435 -11.438 -7.577 1.00 0.00 C ATOM 840 CD GLU A 53 -4.274 -12.274 -8.032 1.00 0.00 C ATOM 841 OE1 GLU A 53 -4.166 -13.438 -7.607 1.00 0.00 O ATOM 842 OE2 GLU A 53 -3.460 -11.794 -8.836 1.00 0.00 O ATOM 0 H GLU A 53 -4.479 -9.634 -4.211 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.113 -10.274 -6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.979 -11.548 -5.498 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.084 -10.257 -5.926 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.324 -12.064 -7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.644 -10.673 -8.325 1.00 0.00 H new ATOM 849 N PHE A 54 -5.202 -7.724 -6.689 1.00 0.00 N ATOM 850 CA PHE A 54 -5.594 -6.530 -7.408 1.00 0.00 C ATOM 851 C PHE A 54 -4.371 -5.671 -7.738 1.00 0.00 C ATOM 852 O PHE A 54 -4.182 -5.247 -8.885 1.00 0.00 O ATOM 853 CB PHE A 54 -6.622 -5.735 -6.576 1.00 0.00 C ATOM 854 CG PHE A 54 -6.839 -4.336 -7.056 1.00 0.00 C ATOM 855 CD1 PHE A 54 -7.684 -4.059 -8.109 1.00 0.00 C ATOM 856 CD2 PHE A 54 -6.163 -3.299 -6.453 1.00 0.00 C ATOM 857 CE1 PHE A 54 -7.840 -2.760 -8.547 1.00 0.00 C ATOM 858 CE2 PHE A 54 -6.316 -2.014 -6.878 1.00 0.00 C ATOM 859 CZ PHE A 54 -7.147 -1.739 -7.923 1.00 0.00 C ATOM 0 H PHE A 54 -5.665 -7.828 -5.786 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.058 -6.819 -8.351 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.574 -6.265 -6.590 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.290 -5.705 -5.538 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.225 -4.860 -8.592 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.499 -3.508 -5.627 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.500 -2.542 -9.373 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.780 -1.215 -6.388 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.264 -0.721 -8.264 1.00 0.00 H new ATOM 869 N LEU A 55 -3.563 -5.412 -6.729 1.00 0.00 N ATOM 870 CA LEU A 55 -2.341 -4.644 -6.879 1.00 0.00 C ATOM 871 C LEU A 55 -1.409 -5.280 -7.896 1.00 0.00 C ATOM 872 O LEU A 55 -0.831 -4.597 -8.746 1.00 0.00 O ATOM 873 CB LEU A 55 -1.650 -4.471 -5.538 1.00 0.00 C ATOM 874 CG LEU A 55 -2.360 -3.566 -4.544 1.00 0.00 C ATOM 875 CD1 LEU A 55 -1.665 -3.621 -3.207 1.00 0.00 C ATOM 876 CD2 LEU A 55 -2.399 -2.131 -5.063 1.00 0.00 C ATOM 0 H LEU A 55 -3.736 -5.730 -5.776 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.609 -3.656 -7.254 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.527 -5.454 -5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.650 -4.074 -5.713 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.385 -3.916 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.181 -2.969 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.678 -4.644 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.633 -3.289 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.911 -1.496 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.381 -1.769 -5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.933 -2.102 -6.013 1.00 0.00 H new ATOM 888 N GLY A 56 -1.300 -6.598 -7.798 1.00 0.00 N ATOM 889 CA GLY A 56 -0.483 -7.363 -8.726 1.00 0.00 C ATOM 890 C GLY A 56 -0.971 -7.201 -10.146 1.00 0.00 C ATOM 891 O GLY A 56 -0.169 -7.031 -11.077 1.00 0.00 O ATOM 0 H GLY A 56 -1.767 -7.158 -7.085 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.554 -7.036 -8.656 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.504 -8.417 -8.449 1.00 0.00 H new ATOM 895 N GLU A 57 -2.288 -7.205 -10.310 1.00 0.00 N ATOM 896 CA GLU A 57 -2.922 -7.023 -11.580 1.00 0.00 C ATOM 897 C GLU A 57 -2.648 -5.652 -12.169 1.00 0.00 C ATOM 898 O GLU A 57 -2.582 -5.490 -13.388 1.00 0.00 O ATOM 899 CB GLU A 57 -4.416 -7.259 -11.455 1.00 0.00 C ATOM 900 CG GLU A 57 -4.790 -8.709 -11.250 1.00 0.00 C ATOM 901 CD GLU A 57 -4.398 -9.561 -12.428 1.00 0.00 C ATOM 902 OE1 GLU A 57 -5.221 -9.745 -13.328 1.00 0.00 O ATOM 903 OE2 GLU A 57 -3.258 -10.065 -12.473 1.00 0.00 O ATOM 0 H GLU A 57 -2.945 -7.338 -9.541 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.496 -7.755 -12.266 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.798 -6.673 -10.619 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.909 -6.890 -12.354 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.303 -9.086 -10.351 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.865 -8.787 -11.087 1.00 0.00 H new ATOM 910 N GLN A 58 -2.533 -4.645 -11.312 1.00 0.00 N ATOM 911 CA GLN A 58 -2.244 -3.299 -11.765 1.00 0.00 C ATOM 912 C GLN A 58 -0.749 -3.167 -12.048 1.00 0.00 C ATOM 913 O GLN A 58 -0.353 -2.506 -12.991 1.00 0.00 O ATOM 914 CB GLN A 58 -2.688 -2.266 -10.720 1.00 0.00 C ATOM 915 CG GLN A 58 -4.143 -2.383 -10.312 1.00 0.00 C ATOM 916 CD GLN A 58 -5.105 -2.283 -11.484 1.00 0.00 C ATOM 917 OE1 GLN A 58 -4.840 -1.611 -12.493 1.00 0.00 O ATOM 918 NE2 GLN A 58 -6.206 -2.957 -11.371 1.00 0.00 N ATOM 0 H GLN A 58 -2.636 -4.739 -10.302 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.801 -3.107 -12.682 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.064 -2.371 -9.833 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.512 -1.266 -11.116 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.296 -3.336 -9.806 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.376 -1.599 -9.592 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.388 -3.498 -10.526 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.890 -2.947 -12.127 1.00 0.00 H new ATOM 927 N GLY A 59 0.065 -3.760 -11.221 1.00 0.00 N ATOM 928 CA GLY A 59 1.499 -3.756 -11.465 1.00 0.00 C ATOM 929 C GLY A 59 2.296 -3.399 -10.236 1.00 0.00 C ATOM 930 O GLY A 59 3.243 -2.602 -10.299 1.00 0.00 O ATOM 0 H GLY A 59 -0.226 -4.251 -10.376 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.806 -4.740 -11.819 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.726 -3.046 -12.260 1.00 0.00 H new ATOM 934 N VAL A 60 1.914 -3.963 -9.113 1.00 0.00 N ATOM 935 CA VAL A 60 2.593 -3.712 -7.866 1.00 0.00 C ATOM 936 C VAL A 60 2.961 -5.027 -7.256 1.00 0.00 C ATOM 937 O VAL A 60 2.107 -5.892 -7.076 1.00 0.00 O ATOM 938 CB VAL A 60 1.686 -2.988 -6.848 1.00 0.00 C ATOM 939 CG1 VAL A 60 2.483 -2.561 -5.634 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.953 -1.814 -7.471 1.00 0.00 C ATOM 0 H VAL A 60 1.126 -4.607 -9.040 1.00 0.00 H new ATOM 0 HA VAL A 60 3.460 -3.088 -8.082 1.00 0.00 H new ATOM 0 HB VAL A 60 0.924 -3.697 -6.524 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.826 -2.052 -4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.918 -3.439 -5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.279 -1.883 -5.942 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.327 -1.335 -6.718 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.677 -1.094 -7.853 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.328 -2.169 -8.290 1.00 0.00 H new ATOM 950 N GLU A 61 4.201 -5.192 -6.965 1.00 0.00 N ATOM 951 CA GLU A 61 4.643 -6.361 -6.285 1.00 0.00 C ATOM 952 C GLU A 61 4.643 -6.079 -4.812 1.00 0.00 C ATOM 953 O GLU A 61 4.916 -4.956 -4.401 1.00 0.00 O ATOM 954 CB GLU A 61 6.015 -6.744 -6.759 1.00 0.00 C ATOM 955 CG GLU A 61 6.032 -7.149 -8.209 1.00 0.00 C ATOM 956 CD GLU A 61 7.365 -7.649 -8.643 1.00 0.00 C ATOM 957 OE1 GLU A 61 8.221 -6.822 -9.004 1.00 0.00 O ATOM 958 OE2 GLU A 61 7.582 -8.891 -8.631 1.00 0.00 O ATOM 0 H GLU A 61 4.938 -4.524 -7.190 1.00 0.00 H new ATOM 0 HA GLU A 61 3.975 -7.197 -6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.694 -5.904 -6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.389 -7.567 -6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.284 -7.924 -8.376 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.749 -6.296 -8.825 1.00 0.00 H new ATOM 965 N LEU A 62 4.280 -7.033 -4.018 1.00 0.00 N ATOM 966 CA LEU A 62 4.250 -6.804 -2.616 1.00 0.00 C ATOM 967 C LEU A 62 5.447 -7.448 -1.926 1.00 0.00 C ATOM 968 O LEU A 62 5.689 -8.653 -2.060 1.00 0.00 O ATOM 969 CB LEU A 62 2.936 -7.297 -2.002 1.00 0.00 C ATOM 970 CG LEU A 62 1.613 -6.833 -2.665 1.00 0.00 C ATOM 971 CD1 LEU A 62 1.616 -5.376 -3.072 1.00 0.00 C ATOM 972 CD2 LEU A 62 1.154 -7.752 -3.784 1.00 0.00 C ATOM 0 H LEU A 62 4.003 -7.969 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 62 4.311 -5.727 -2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.951 -8.387 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.916 -6.985 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 62 0.862 -6.913 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.659 -5.124 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.774 -4.753 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.418 -5.200 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.224 -7.373 -4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.918 -7.789 -4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.991 -8.754 -3.388 1.00 0.00 H new ATOM 984 N ILE A 63 6.216 -6.632 -1.255 1.00 0.00 N ATOM 985 CA ILE A 63 7.346 -7.088 -0.463 1.00 0.00 C ATOM 986 C ILE A 63 6.982 -7.065 1.001 1.00 0.00 C ATOM 987 O ILE A 63 5.933 -6.553 1.355 1.00 0.00 O ATOM 988 CB ILE A 63 8.604 -6.223 -0.679 1.00 0.00 C ATOM 989 CG1 ILE A 63 8.321 -4.748 -0.380 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.103 -6.391 -2.074 1.00 0.00 C ATOM 991 CD1 ILE A 63 9.525 -3.831 -0.524 1.00 0.00 C ATOM 0 H ILE A 63 6.081 -5.621 -1.238 1.00 0.00 H new ATOM 0 HA ILE A 63 7.577 -8.102 -0.788 1.00 0.00 H new ATOM 0 HB ILE A 63 9.375 -6.558 0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.534 -4.400 -1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.936 -4.664 0.636 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.992 -5.777 -2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.353 -7.438 -2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.330 -6.081 -2.777 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.232 -2.807 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.308 -4.148 0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.899 -3.880 -1.547 1.00 0.00 H new ATOM 1003 N SER A 64 7.839 -7.607 1.838 1.00 0.00 N ATOM 1004 CA SER A 64 7.603 -7.659 3.264 1.00 0.00 C ATOM 1005 C SER A 64 7.652 -6.271 3.893 1.00 0.00 C ATOM 1006 O SER A 64 6.617 -5.594 4.019 1.00 0.00 O ATOM 1007 CB SER A 64 8.603 -8.613 3.913 1.00 0.00 C ATOM 1008 OG SER A 64 8.414 -8.720 5.315 1.00 0.00 O ATOM 0 H SER A 64 8.723 -8.026 1.548 1.00 0.00 H new ATOM 0 HA SER A 64 6.597 -8.039 3.440 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.507 -9.600 3.460 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.616 -8.266 3.711 1.00 0.00 H new ATOM 0 HG SER A 64 9.074 -9.341 5.688 1.00 0.00 H new ATOM 1014 N GLU A 65 8.852 -5.863 4.235 1.00 0.00 N ATOM 1015 CA GLU A 65 9.162 -4.579 4.844 1.00 0.00 C ATOM 1016 C GLU A 65 10.621 -4.589 5.216 1.00 0.00 C ATOM 1017 O GLU A 65 11.314 -3.585 5.097 1.00 0.00 O ATOM 1018 CB GLU A 65 8.311 -4.293 6.083 1.00 0.00 C ATOM 1019 CG GLU A 65 8.542 -2.918 6.675 1.00 0.00 C ATOM 1020 CD GLU A 65 7.815 -2.720 7.964 1.00 0.00 C ATOM 1021 OE1 GLU A 65 6.855 -1.919 8.013 1.00 0.00 O ATOM 1022 OE2 GLU A 65 8.209 -3.361 8.970 1.00 0.00 O ATOM 0 H GLU A 65 9.681 -6.440 4.092 1.00 0.00 H new ATOM 0 HA GLU A 65 8.938 -3.789 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.258 -4.394 5.821 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.524 -5.046 6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.610 -2.771 6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.221 -2.160 5.961 1.00 0.00 H new ATOM 1029 N ASN A 66 11.108 -5.764 5.612 1.00 0.00 N ATOM 1030 CA ASN A 66 12.536 -5.930 5.955 1.00 0.00 C ATOM 1031 C ASN A 66 13.361 -6.126 4.672 1.00 0.00 C ATOM 1032 O ASN A 66 14.504 -6.553 4.688 1.00 0.00 O ATOM 1033 CB ASN A 66 12.738 -7.107 6.929 1.00 0.00 C ATOM 1034 CG ASN A 66 14.156 -7.188 7.525 1.00 0.00 C ATOM 1035 OD1 ASN A 66 14.793 -6.059 7.747 1.00 0.00 O flip ATOM 1036 ND2 ASN A 66 14.661 -8.275 7.808 1.00 0.00 N flip ATOM 0 H ASN A 66 10.549 -6.612 5.705 1.00 0.00 H new ATOM 0 HA ASN A 66 12.882 -5.027 6.458 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.017 -7.021 7.742 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.520 -8.039 6.407 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.148 -9.138 7.627 1.00 0.00 H new ATOM 0 HD22 ASN A 66 15.592 -8.312 8.223 1.00 0.00 H new ATOM 1043 N GLU A 67 12.764 -5.778 3.585 1.00 0.00 N ATOM 1044 CA GLU A 67 13.375 -5.803 2.311 1.00 0.00 C ATOM 1045 C GLU A 67 12.892 -4.572 1.598 1.00 0.00 C ATOM 1046 O GLU A 67 11.785 -4.081 1.883 1.00 0.00 O ATOM 1047 CB GLU A 67 12.960 -7.042 1.524 1.00 0.00 C ATOM 1048 CG GLU A 67 11.481 -7.088 1.220 1.00 0.00 C ATOM 1049 CD GLU A 67 11.071 -8.273 0.416 1.00 0.00 C ATOM 1050 OE1 GLU A 67 11.660 -8.509 -0.657 1.00 0.00 O ATOM 1051 OE2 GLU A 67 10.105 -8.966 0.817 1.00 0.00 O ATOM 0 H GLU A 67 11.797 -5.456 3.564 1.00 0.00 H new ATOM 0 HA GLU A 67 14.461 -5.829 2.405 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.518 -7.073 0.588 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.236 -7.932 2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.926 -7.087 2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.201 -6.182 0.683 1.00 0.00 H new ATOM 1058 N GLU A 68 13.692 -4.079 0.724 1.00 0.00 N ATOM 1059 CA GLU A 68 13.384 -2.926 -0.077 1.00 0.00 C ATOM 1060 C GLU A 68 14.139 -3.073 -1.362 1.00 0.00 C ATOM 1061 O GLU A 68 15.111 -3.824 -1.420 1.00 0.00 O ATOM 1062 CB GLU A 68 13.818 -1.602 0.595 1.00 0.00 C ATOM 1063 CG GLU A 68 13.121 -1.254 1.899 1.00 0.00 C ATOM 1064 CD GLU A 68 13.536 0.093 2.419 1.00 0.00 C ATOM 1065 OE1 GLU A 68 14.572 0.193 3.101 1.00 0.00 O ATOM 1066 OE2 GLU A 68 12.837 1.076 2.165 1.00 0.00 O ATOM 0 H GLU A 68 14.613 -4.472 0.532 1.00 0.00 H new ATOM 0 HA GLU A 68 12.305 -2.878 -0.221 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.891 -1.648 0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 68 13.651 -0.788 -0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.042 -1.267 1.747 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.347 -2.016 2.645 1.00 0.00 H new ATOM 1073 N THR A 69 13.743 -2.345 -2.365 1.00 0.00 N ATOM 1074 CA THR A 69 14.415 -2.373 -3.633 1.00 0.00 C ATOM 1075 C THR A 69 15.571 -1.379 -3.620 1.00 0.00 C ATOM 1076 O THR A 69 16.361 -1.287 -4.550 1.00 0.00 O ATOM 1077 CB THR A 69 13.407 -2.033 -4.734 1.00 0.00 C ATOM 1078 OG1 THR A 69 12.597 -0.931 -4.287 1.00 0.00 O ATOM 1079 CG2 THR A 69 12.512 -3.223 -5.020 1.00 0.00 C ATOM 0 H THR A 69 12.943 -1.713 -2.328 1.00 0.00 H new ATOM 0 HA THR A 69 14.824 -3.365 -3.825 1.00 0.00 H new ATOM 0 HB THR A 69 13.944 -1.772 -5.646 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.947 -0.700 -4.983 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.802 -2.964 -5.805 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.121 -4.066 -5.346 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.969 -3.496 -4.115 1.00 0.00 H new ATOM 1087 N GLU A 70 15.710 -0.722 -2.486 1.00 0.00 N ATOM 1088 CA GLU A 70 16.680 0.336 -2.269 1.00 0.00 C ATOM 1089 C GLU A 70 18.036 -0.237 -2.009 1.00 0.00 C ATOM 1090 O GLU A 70 19.001 0.485 -1.835 1.00 0.00 O ATOM 1091 CB GLU A 70 16.250 1.153 -1.080 1.00 0.00 C ATOM 1092 CG GLU A 70 14.809 1.549 -1.156 1.00 0.00 C ATOM 1093 CD GLU A 70 14.507 2.572 -2.228 1.00 0.00 C ATOM 1094 OE1 GLU A 70 14.139 3.709 -1.872 1.00 0.00 O ATOM 1095 OE2 GLU A 70 14.616 2.261 -3.432 1.00 0.00 O ATOM 0 H GLU A 70 15.135 -0.914 -1.666 1.00 0.00 H new ATOM 0 HA GLU A 70 16.731 0.960 -3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 70 16.420 0.581 -0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.868 2.049 -1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.207 0.659 -1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.501 1.949 -0.190 1.00 0.00 H new ATOM 1102 N ASP A 71 18.105 -1.535 -2.024 1.00 0.00 N ATOM 1103 CA ASP A 71 19.339 -2.249 -1.784 1.00 0.00 C ATOM 1104 C ASP A 71 20.253 -2.113 -2.992 1.00 0.00 C ATOM 1105 O ASP A 71 21.453 -2.351 -2.950 1.00 0.00 O ATOM 1106 CB ASP A 71 19.030 -3.711 -1.485 1.00 0.00 C ATOM 1107 CG ASP A 71 20.256 -4.554 -1.154 1.00 0.00 C ATOM 1108 OD1 ASP A 71 20.672 -5.399 -1.994 1.00 0.00 O ATOM 1109 OD2 ASP A 71 20.806 -4.417 -0.052 1.00 0.00 O ATOM 0 H ASP A 71 17.304 -2.140 -2.204 1.00 0.00 H new ATOM 0 HA ASP A 71 19.853 -1.825 -0.922 1.00 0.00 H new ATOM 0 HB2 ASP A 71 18.333 -3.760 -0.648 1.00 0.00 H new ATOM 0 HB3 ASP A 71 18.525 -4.147 -2.347 1.00 0.00 H new ATOM 1114 N LEU A 72 19.659 -1.655 -4.043 1.00 0.00 N ATOM 1115 CA LEU A 72 20.309 -1.471 -5.307 1.00 0.00 C ATOM 1116 C LEU A 72 20.800 -0.028 -5.440 1.00 0.00 C ATOM 1117 O LEU A 72 21.263 0.365 -6.510 1.00 0.00 O ATOM 1118 CB LEU A 72 19.310 -1.775 -6.422 1.00 0.00 C ATOM 1119 CG LEU A 72 18.608 -3.137 -6.343 1.00 0.00 C ATOM 1120 CD1 LEU A 72 17.569 -3.259 -7.438 1.00 0.00 C ATOM 1121 CD2 LEU A 72 19.615 -4.275 -6.428 1.00 0.00 C ATOM 0 H LEU A 72 18.675 -1.388 -4.051 1.00 0.00 H new ATOM 0 HA LEU A 72 21.165 -2.141 -5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 72 18.548 -0.995 -6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.831 -1.712 -7.377 1.00 0.00 H new ATOM 0 HG LEU A 72 18.105 -3.206 -5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.080 -4.231 -7.369 1.00 0.00 H new ATOM 0 HD12 LEU A 72 16.826 -2.470 -7.324 1.00 0.00 H new ATOM 0 HD13 LEU A 72 18.052 -3.165 -8.410 1.00 0.00 H new ATOM 0 HD21 LEU A 72 19.091 -5.229 -6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 72 20.154 -4.214 -7.373 1.00 0.00 H new ATOM 0 HD23 LEU A 72 20.322 -4.198 -5.602 1.00 0.00 H new ATOM 1133 N GLU A 73 20.715 0.737 -4.327 1.00 0.00 N ATOM 1134 CA GLU A 73 21.086 2.145 -4.265 1.00 0.00 C ATOM 1135 C GLU A 73 20.398 2.996 -5.335 1.00 0.00 C ATOM 1136 O GLU A 73 20.877 3.129 -6.470 1.00 0.00 O ATOM 1137 CB GLU A 73 22.586 2.279 -4.288 1.00 0.00 C ATOM 1138 CG GLU A 73 23.236 1.771 -3.020 1.00 0.00 C ATOM 1139 CD GLU A 73 22.888 2.622 -1.833 1.00 0.00 C ATOM 1140 OE1 GLU A 73 21.969 2.287 -1.078 1.00 0.00 O ATOM 1141 OE2 GLU A 73 23.536 3.667 -1.649 1.00 0.00 O ATOM 0 H GLU A 73 20.378 0.373 -3.436 1.00 0.00 H new ATOM 0 HA GLU A 73 20.721 2.546 -3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 73 22.983 1.728 -5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 73 22.851 3.326 -4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 73 22.920 0.744 -2.836 1.00 0.00 H new ATOM 0 HG3 GLU A 73 24.318 1.753 -3.149 1.00 0.00 H new ATOM 1148 N HIS A 74 19.273 3.567 -4.981 1.00 0.00 N ATOM 1149 CA HIS A 74 18.493 4.313 -5.941 1.00 0.00 C ATOM 1150 C HIS A 74 18.741 5.799 -5.907 1.00 0.00 C ATOM 1151 O HIS A 74 19.442 6.324 -6.766 1.00 0.00 O ATOM 1152 CB HIS A 74 16.997 4.009 -5.852 1.00 0.00 C ATOM 1153 CG HIS A 74 16.617 2.685 -6.418 1.00 0.00 C ATOM 1154 ND1 HIS A 74 15.726 1.820 -5.828 1.00 0.00 N ATOM 1155 CD2 HIS A 74 16.975 2.112 -7.593 1.00 0.00 C ATOM 1156 CE1 HIS A 74 15.569 0.775 -6.645 1.00 0.00 C ATOM 1157 NE2 HIS A 74 16.308 0.907 -7.733 1.00 0.00 N ATOM 0 H HIS A 74 18.878 3.531 -4.041 1.00 0.00 H new ATOM 0 HA HIS A 74 18.849 3.961 -6.909 1.00 0.00 H new ATOM 0 HB2 HIS A 74 16.689 4.049 -4.807 1.00 0.00 H new ATOM 0 HB3 HIS A 74 16.446 4.789 -6.376 1.00 0.00 H new ATOM 0 HD1 HIS A 74 15.267 1.953 -4.927 1.00 0.00 H new ATOM 0 HD2 HIS A 74 17.670 2.529 -8.307 1.00 0.00 H new ATOM 0 HE1 HIS A 74 14.923 -0.067 -6.443 1.00 0.00 H new ATOM 1165 N HIS A 75 18.208 6.465 -4.914 1.00 0.00 N ATOM 1166 CA HIS A 75 18.264 7.914 -4.870 1.00 0.00 C ATOM 1167 C HIS A 75 19.558 8.409 -4.259 1.00 0.00 C ATOM 1168 O HIS A 75 20.497 8.763 -4.975 1.00 0.00 O ATOM 1169 CB HIS A 75 17.036 8.519 -4.151 1.00 0.00 C ATOM 1170 CG HIS A 75 15.728 8.359 -4.890 1.00 0.00 C ATOM 1171 ND1 HIS A 75 14.967 9.414 -5.352 1.00 0.00 N ATOM 1172 CD2 HIS A 75 15.034 7.240 -5.209 1.00 0.00 C ATOM 1173 CE1 HIS A 75 13.866 8.915 -5.917 1.00 0.00 C ATOM 1174 NE2 HIS A 75 13.857 7.595 -5.857 1.00 0.00 N ATOM 0 H HIS A 75 17.730 6.033 -4.124 1.00 0.00 H new ATOM 0 HA HIS A 75 18.237 8.260 -5.903 1.00 0.00 H new ATOM 0 HB2 HIS A 75 16.942 8.055 -3.169 1.00 0.00 H new ATOM 0 HB3 HIS A 75 17.216 9.581 -3.985 1.00 0.00 H new ATOM 0 HD2 HIS A 75 15.347 6.229 -4.993 1.00 0.00 H new ATOM 0 HE1 HIS A 75 13.085 9.512 -6.365 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.136 6.967 -6.212 1.00 0.00 H new ATOM 1182 N HIS A 76 19.630 8.390 -2.964 1.00 0.00 N ATOM 1183 CA HIS A 76 20.771 8.874 -2.234 1.00 0.00 C ATOM 1184 C HIS A 76 20.751 8.262 -0.865 1.00 0.00 C ATOM 1185 O HIS A 76 21.663 7.483 -0.547 1.00 0.00 O ATOM 1186 CB HIS A 76 20.836 10.437 -2.194 1.00 0.00 C ATOM 1187 CG HIS A 76 19.599 11.142 -1.686 1.00 0.00 C ATOM 1188 ND1 HIS A 76 18.549 11.517 -2.495 1.00 0.00 N ATOM 1189 CD2 HIS A 76 19.268 11.549 -0.431 1.00 0.00 C ATOM 1190 CE1 HIS A 76 17.637 12.120 -1.738 1.00 0.00 C ATOM 1191 NE2 HIS A 76 18.020 12.170 -0.470 1.00 0.00 N ATOM 1192 OXT HIS A 76 19.747 8.439 -0.162 1.00 0.00 O ATOM 0 H HIS A 76 18.884 8.031 -2.368 1.00 0.00 H new ATOM 0 HA HIS A 76 21.683 8.571 -2.748 1.00 0.00 H new ATOM 0 HB2 HIS A 76 21.679 10.729 -1.568 1.00 0.00 H new ATOM 0 HB3 HIS A 76 21.047 10.797 -3.201 1.00 0.00 H new ATOM 0 HD2 HIS A 76 19.874 11.413 0.453 1.00 0.00 H new ATOM 0 HE1 HIS A 76 16.704 12.518 -2.109 1.00 0.00 H new ATOM 0 HE2 HIS A 76 17.509 12.577 0.313 1.00 0.00 H new TER 1200 HIS A 76