USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 696 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 44 THR OG1 : rot -170:sc= 0.00567 USER MOD Set 1.2: A 47 SER OG : rot 180:sc= -0.0129 USER MOD Single : A 3 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.19) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 120:sc= -0.0017 USER MOD Single : A 7 THR OG1 : rot 84:sc= -2.9! USER MOD Single : A 9 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -108:sc=-0.00707 (180deg=-0.132) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 100:sc= -5.13! USER MOD Single : A 41 ASN : amide:sc= 0.379 X(o=0.38,f=-0.09) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0133 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -160:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.427 K(o=-0.43,f=-3.2!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc=-0.00112 X(o=-0.0011,f=-0.021) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.464 K(o=-0.46,f=-3.9!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.7 F(o=-3.5!,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -5.440 5.496 -15.737 1.00 0.00 N ATOM 32 CA GLN A 3 -5.911 4.356 -14.882 1.00 0.00 C ATOM 33 C GLN A 3 -6.231 4.837 -13.454 1.00 0.00 C ATOM 34 O GLN A 3 -5.453 4.631 -12.540 1.00 0.00 O ATOM 35 CB GLN A 3 -4.753 3.352 -14.864 1.00 0.00 C ATOM 36 CG GLN A 3 -4.990 2.273 -15.925 1.00 0.00 C ATOM 37 CD GLN A 3 -4.965 2.908 -17.321 1.00 0.00 C ATOM 38 OE1 GLN A 3 -3.918 3.023 -17.925 1.00 0.00 O ATOM 39 NE2 GLN A 3 -6.080 3.330 -17.866 1.00 0.00 N ATOM 0 HA GLN A 3 -6.827 3.913 -15.274 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.811 3.865 -15.057 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.671 2.895 -13.878 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.223 1.502 -15.852 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.950 1.785 -15.754 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.962 3.235 -17.362 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.066 3.753 -18.794 1.00 0.00 H new ATOM 48 N GLU A 4 -7.372 5.466 -13.250 1.00 0.00 N ATOM 49 CA GLU A 4 -7.728 5.940 -11.869 1.00 0.00 C ATOM 50 C GLU A 4 -8.558 4.868 -11.150 1.00 0.00 C ATOM 51 O GLU A 4 -8.371 4.630 -9.972 1.00 0.00 O ATOM 52 CB GLU A 4 -8.545 7.229 -12.055 1.00 0.00 C ATOM 53 CG GLU A 4 -8.040 8.305 -11.090 1.00 0.00 C ATOM 54 CD GLU A 4 -8.860 8.263 -9.799 1.00 0.00 C ATOM 55 OE1 GLU A 4 -9.245 7.176 -9.400 1.00 0.00 O ATOM 56 OE2 GLU A 4 -9.091 9.318 -9.233 1.00 0.00 O ATOM 0 H GLU A 4 -8.063 5.669 -13.972 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.842 6.126 -11.263 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.459 7.580 -13.083 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.601 7.031 -11.873 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.985 8.143 -10.868 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.121 9.289 -11.552 1.00 0.00 H new ATOM 63 N GLN A 5 -9.465 4.202 -11.845 1.00 0.00 N ATOM 64 CA GLN A 5 -10.284 3.126 -11.165 1.00 0.00 C ATOM 65 C GLN A 5 -9.343 2.114 -10.484 1.00 0.00 C ATOM 66 O GLN A 5 -9.612 1.652 -9.391 1.00 0.00 O ATOM 67 CB GLN A 5 -11.141 2.444 -12.255 1.00 0.00 C ATOM 68 CG GLN A 5 -10.249 1.743 -13.286 1.00 0.00 C ATOM 69 CD GLN A 5 -11.120 1.168 -14.409 1.00 0.00 C ATOM 70 OE1 GLN A 5 -11.514 1.884 -15.308 1.00 0.00 O ATOM 71 NE2 GLN A 5 -11.443 -0.102 -14.402 1.00 0.00 N ATOM 0 H GLN A 5 -9.672 4.351 -12.833 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.930 3.545 -10.394 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.813 1.719 -11.796 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.765 3.187 -12.752 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.526 2.448 -13.697 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.680 0.946 -12.808 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.115 -0.708 -13.650 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.022 -0.485 -15.149 1.00 0.00 H new ATOM 80 N TYR A 6 -8.217 1.807 -11.100 1.00 0.00 N ATOM 81 CA TYR A 6 -7.244 0.869 -10.444 1.00 0.00 C ATOM 82 C TYR A 6 -6.537 1.616 -9.302 1.00 0.00 C ATOM 83 O TYR A 6 -6.240 1.043 -8.274 1.00 0.00 O ATOM 84 CB TYR A 6 -6.219 0.460 -11.515 1.00 0.00 C ATOM 85 CG TYR A 6 -6.825 -0.565 -12.442 1.00 0.00 C ATOM 86 CD1 TYR A 6 -7.572 -0.151 -13.550 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.634 -1.930 -12.196 1.00 0.00 C ATOM 88 CE1 TYR A 6 -8.130 -1.102 -14.412 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.189 -2.881 -13.057 1.00 0.00 C ATOM 90 CZ TYR A 6 -7.939 -2.468 -14.166 1.00 0.00 C ATOM 91 OH TYR A 6 -8.487 -3.406 -15.016 1.00 0.00 O ATOM 0 H TYR A 6 -7.935 2.160 -12.014 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.743 -0.011 -10.038 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.905 1.336 -12.083 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.327 0.051 -11.040 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.718 0.902 -13.740 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.057 -2.248 -11.340 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.708 -0.783 -15.267 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.040 -3.934 -12.867 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.772 -3.953 -15.404 1.00 0.00 H new ATOM 101 N THR A 7 -6.271 2.898 -9.476 1.00 0.00 N ATOM 102 CA THR A 7 -5.588 3.676 -8.385 1.00 0.00 C ATOM 103 C THR A 7 -6.518 3.791 -7.168 1.00 0.00 C ATOM 104 O THR A 7 -6.079 3.664 -6.040 1.00 0.00 O ATOM 105 CB THR A 7 -5.291 5.071 -8.972 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.398 4.938 -10.068 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.662 5.983 -7.914 1.00 0.00 C ATOM 0 H THR A 7 -6.495 3.431 -10.316 1.00 0.00 H new ATOM 0 HA THR A 7 -4.672 3.188 -8.054 1.00 0.00 H new ATOM 0 HB THR A 7 -6.229 5.517 -9.303 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.905 4.722 -10.878 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.461 6.962 -8.350 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.349 6.094 -7.075 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.728 5.543 -7.563 1.00 0.00 H new ATOM 115 N GLU A 8 -7.796 4.027 -7.383 1.00 0.00 N ATOM 116 CA GLU A 8 -8.731 4.141 -6.207 1.00 0.00 C ATOM 117 C GLU A 8 -8.869 2.777 -5.526 1.00 0.00 C ATOM 118 O GLU A 8 -8.865 2.688 -4.311 1.00 0.00 O ATOM 119 CB GLU A 8 -10.090 4.609 -6.754 1.00 0.00 C ATOM 120 CG GLU A 8 -10.132 6.139 -6.777 1.00 0.00 C ATOM 121 CD GLU A 8 -11.352 6.604 -7.574 1.00 0.00 C ATOM 122 OE1 GLU A 8 -11.455 6.235 -8.732 1.00 0.00 O ATOM 123 OE2 GLU A 8 -12.164 7.321 -7.012 1.00 0.00 O ATOM 0 H GLU A 8 -8.226 4.144 -8.300 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.354 4.848 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.245 4.215 -7.759 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.897 4.222 -6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.179 6.527 -5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.220 6.532 -7.226 1.00 0.00 H new ATOM 130 N ASN A 9 -8.967 1.712 -6.290 1.00 0.00 N ATOM 131 CA ASN A 9 -9.074 0.356 -5.650 1.00 0.00 C ATOM 132 C ASN A 9 -7.694 -0.057 -5.128 1.00 0.00 C ATOM 133 O ASN A 9 -7.576 -0.613 -4.051 1.00 0.00 O ATOM 134 CB ASN A 9 -9.559 -0.616 -6.737 1.00 0.00 C ATOM 135 CG ASN A 9 -10.989 -0.247 -7.152 1.00 0.00 C ATOM 136 OD1 ASN A 9 -11.220 0.826 -7.673 1.00 0.00 O ATOM 137 ND2 ASN A 9 -11.969 -1.093 -6.944 1.00 0.00 N ATOM 0 H ASN A 9 -8.978 1.719 -7.310 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.769 0.356 -4.811 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.896 -0.573 -7.601 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.530 -1.640 -6.364 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.920 -0.849 -7.219 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.780 -1.995 -6.507 1.00 0.00 H new ATOM 144 N LEU A 10 -6.643 0.231 -5.869 1.00 0.00 N ATOM 145 CA LEU A 10 -5.270 -0.128 -5.379 1.00 0.00 C ATOM 146 C LEU A 10 -4.942 0.705 -4.133 1.00 0.00 C ATOM 147 O LEU A 10 -4.334 0.213 -3.202 1.00 0.00 O ATOM 148 CB LEU A 10 -4.287 0.197 -6.516 1.00 0.00 C ATOM 149 CG LEU A 10 -2.898 -0.333 -6.160 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.935 -1.861 -6.093 1.00 0.00 C ATOM 151 CD2 LEU A 10 -1.895 0.107 -7.229 1.00 0.00 C ATOM 0 H LEU A 10 -6.676 0.692 -6.778 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.205 -1.182 -5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.631 -0.253 -7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.246 1.274 -6.678 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.595 0.065 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.944 -2.238 -5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.649 -2.175 -5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.238 -2.260 -7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.904 -0.271 -6.976 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.198 -0.290 -8.198 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.867 1.196 -7.276 1.00 0.00 H new ATOM 163 N LYS A 11 -5.351 1.963 -4.094 1.00 0.00 N ATOM 164 CA LYS A 11 -5.057 2.803 -2.875 1.00 0.00 C ATOM 165 C LYS A 11 -5.622 2.131 -1.613 1.00 0.00 C ATOM 166 O LYS A 11 -5.040 2.230 -0.548 1.00 0.00 O ATOM 167 CB LYS A 11 -5.735 4.165 -3.098 1.00 0.00 C ATOM 168 CG LYS A 11 -5.349 5.119 -1.965 1.00 0.00 C ATOM 169 CD LYS A 11 -5.923 6.508 -2.248 1.00 0.00 C ATOM 170 CE LYS A 11 -6.000 7.306 -0.945 1.00 0.00 C ATOM 171 NZ LYS A 11 -5.895 8.733 -1.359 1.00 0.00 N ATOM 0 H LYS A 11 -5.865 2.435 -4.838 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.982 2.919 -2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.431 4.582 -4.058 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.818 4.043 -3.132 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.729 4.744 -1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.264 5.174 -1.875 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.297 7.031 -2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.915 6.419 -2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.936 7.115 -0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.193 7.032 -0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.940 9.343 -0.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.991 8.886 -1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.680 8.967 -1.999 1.00 0.00 H new ATOM 185 N VAL A 12 -6.738 1.437 -1.719 1.00 0.00 N ATOM 186 CA VAL A 12 -7.302 0.757 -0.501 1.00 0.00 C ATOM 187 C VAL A 12 -6.454 -0.479 -0.177 1.00 0.00 C ATOM 188 O VAL A 12 -6.115 -0.721 0.967 1.00 0.00 O ATOM 189 CB VAL A 12 -8.743 0.350 -0.851 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.376 -0.390 0.329 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.563 1.605 -1.162 1.00 0.00 C ATOM 0 H VAL A 12 -7.273 1.314 -2.578 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.292 1.411 0.371 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.730 -0.307 -1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.397 -0.675 0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.794 -1.284 0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.389 0.262 1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.585 1.319 -1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.571 2.260 -0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.118 2.131 -2.007 1.00 0.00 H new ATOM 201 N ILE A 13 -6.094 -1.255 -1.175 1.00 0.00 N ATOM 202 CA ILE A 13 -5.247 -2.468 -0.904 1.00 0.00 C ATOM 203 C ILE A 13 -3.840 -2.031 -0.459 1.00 0.00 C ATOM 204 O ILE A 13 -3.226 -2.680 0.367 1.00 0.00 O ATOM 205 CB ILE A 13 -5.188 -3.269 -2.218 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.613 -3.679 -2.628 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.331 -4.523 -2.020 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.808 -3.471 -4.134 1.00 0.00 C ATOM 0 H ILE A 13 -6.345 -1.106 -2.152 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.665 -3.080 -0.105 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.746 -2.652 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.787 -4.724 -2.372 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.343 -3.089 -2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.291 -5.087 -2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.322 -4.232 -1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.769 -5.143 -1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.820 -3.764 -4.414 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.654 -2.420 -4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.089 -4.081 -4.682 1.00 0.00 H new ATOM 220 N VAL A 14 -3.326 -0.930 -0.980 1.00 0.00 N ATOM 221 CA VAL A 14 -1.959 -0.474 -0.543 1.00 0.00 C ATOM 222 C VAL A 14 -2.016 -0.029 0.927 1.00 0.00 C ATOM 223 O VAL A 14 -1.115 -0.313 1.695 1.00 0.00 O ATOM 224 CB VAL A 14 -1.570 0.713 -1.444 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.157 1.182 -1.088 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.612 0.286 -2.920 1.00 0.00 C ATOM 0 H VAL A 14 -3.784 -0.340 -1.674 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.226 -1.276 -0.629 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.276 1.528 -1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.119 2.022 -1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.129 1.494 -0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.547 0.364 -1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.336 1.131 -3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.911 -0.533 -3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.619 -0.043 -3.175 1.00 0.00 H new ATOM 236 N ALA A 15 -3.069 0.658 1.333 1.00 0.00 N ATOM 237 CA ALA A 15 -3.159 1.098 2.772 1.00 0.00 C ATOM 238 C ALA A 15 -3.283 -0.127 3.698 1.00 0.00 C ATOM 239 O ALA A 15 -2.792 -0.110 4.811 1.00 0.00 O ATOM 240 CB ALA A 15 -4.413 1.980 2.891 1.00 0.00 C ATOM 0 H ALA A 15 -3.855 0.928 0.742 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.265 1.647 3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.520 2.323 3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.317 2.841 2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.293 1.402 2.608 1.00 0.00 H new ATOM 246 N GLU A 16 -3.931 -1.192 3.255 1.00 0.00 N ATOM 247 CA GLU A 16 -4.069 -2.411 4.139 1.00 0.00 C ATOM 248 C GLU A 16 -2.690 -2.881 4.633 1.00 0.00 C ATOM 249 O GLU A 16 -2.557 -3.339 5.753 1.00 0.00 O ATOM 250 CB GLU A 16 -4.712 -3.508 3.275 1.00 0.00 C ATOM 251 CG GLU A 16 -5.068 -4.709 4.152 1.00 0.00 C ATOM 252 CD GLU A 16 -5.151 -5.968 3.288 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.179 -6.265 2.615 1.00 0.00 O ATOM 254 OE2 GLU A 16 -6.187 -6.611 3.313 1.00 0.00 O ATOM 0 H GLU A 16 -4.364 -1.270 2.335 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.674 -2.185 5.017 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.608 -3.123 2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.025 -3.812 2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.316 -4.839 4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.020 -4.536 4.654 1.00 0.00 H new ATOM 261 N LYS A 17 -1.661 -2.771 3.815 1.00 0.00 N ATOM 262 CA LYS A 17 -0.299 -3.220 4.271 1.00 0.00 C ATOM 263 C LYS A 17 0.357 -2.122 5.122 1.00 0.00 C ATOM 264 O LYS A 17 0.839 -2.386 6.208 1.00 0.00 O ATOM 265 CB LYS A 17 0.527 -3.478 3.003 1.00 0.00 C ATOM 266 CG LYS A 17 1.718 -4.377 3.343 1.00 0.00 C ATOM 267 CD LYS A 17 1.265 -5.839 3.368 1.00 0.00 C ATOM 268 CE LYS A 17 2.042 -6.598 4.447 1.00 0.00 C ATOM 269 NZ LYS A 17 1.195 -7.779 4.772 1.00 0.00 N ATOM 0 H LYS A 17 -1.704 -2.396 2.867 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.363 -4.120 4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.094 -3.951 2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.878 -2.534 2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.510 -4.243 2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.133 -4.097 4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.195 -5.896 3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.432 -6.299 2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.024 -6.904 4.085 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.206 -5.976 5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.662 -8.350 5.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.269 -7.457 5.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.062 -8.356 3.917 1.00 0.00 H new ATOM 283 N LEU A 18 0.377 -0.891 4.649 1.00 0.00 N ATOM 284 CA LEU A 18 1.009 0.208 5.466 1.00 0.00 C ATOM 285 C LEU A 18 0.257 0.361 6.795 1.00 0.00 C ATOM 286 O LEU A 18 0.860 0.379 7.852 1.00 0.00 O ATOM 287 CB LEU A 18 0.884 1.498 4.646 1.00 0.00 C ATOM 288 CG LEU A 18 1.747 1.394 3.394 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.192 2.327 2.318 1.00 0.00 C ATOM 290 CD2 LEU A 18 3.182 1.802 3.735 1.00 0.00 C ATOM 0 H LEU A 18 -0.009 -0.602 3.750 1.00 0.00 H new ATOM 0 HA LEU A 18 2.053 -0.015 5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.157 1.666 4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.196 2.353 5.245 1.00 0.00 H new ATOM 0 HG LEU A 18 1.738 0.368 3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.807 2.255 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.168 2.039 2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.204 3.353 2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.803 1.729 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.191 2.829 4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.575 1.139 4.506 1.00 0.00 H new ATOM 302 N ALA A 19 -1.056 0.461 6.753 1.00 0.00 N ATOM 303 CA ALA A 19 -1.831 0.599 8.037 1.00 0.00 C ATOM 304 C ALA A 19 -1.659 -0.660 8.914 1.00 0.00 C ATOM 305 O ALA A 19 -1.836 -0.599 10.117 1.00 0.00 O ATOM 306 CB ALA A 19 -3.310 0.770 7.647 1.00 0.00 C ATOM 0 H ALA A 19 -1.617 0.453 5.901 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.472 1.452 8.613 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.914 0.874 8.548 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.423 1.661 7.029 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.642 -0.104 7.087 1.00 0.00 H new ATOM 312 N GLY A 20 -1.324 -1.805 8.334 1.00 0.00 N ATOM 313 CA GLY A 20 -1.161 -3.042 9.156 1.00 0.00 C ATOM 314 C GLY A 20 0.272 -3.144 9.713 1.00 0.00 C ATOM 315 O GLY A 20 0.471 -3.658 10.797 1.00 0.00 O ATOM 0 H GLY A 20 -1.160 -1.924 7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.876 -3.034 9.979 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.383 -3.919 8.549 1.00 0.00 H new ATOM 319 N ILE A 21 1.276 -2.676 8.987 1.00 0.00 N ATOM 320 CA ILE A 21 2.698 -2.775 9.505 1.00 0.00 C ATOM 321 C ILE A 21 2.789 -2.239 10.955 1.00 0.00 C ATOM 322 O ILE A 21 2.166 -1.247 11.278 1.00 0.00 O ATOM 323 CB ILE A 21 3.567 -1.919 8.550 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.680 -2.633 7.199 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.979 -1.717 9.125 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.914 -1.609 6.082 1.00 0.00 C ATOM 0 H ILE A 21 1.177 -2.236 8.072 1.00 0.00 H new ATOM 0 HA ILE A 21 3.039 -3.810 9.528 1.00 0.00 H new ATOM 0 HB ILE A 21 3.094 -0.944 8.431 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.501 -3.349 7.225 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.770 -3.199 7.000 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.569 -1.113 8.436 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.911 -1.208 10.087 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.459 -2.686 9.260 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.993 -2.126 5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.079 -0.910 6.049 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.837 -1.063 6.277 1.00 0.00 H new ATOM 338 N PRO A 22 3.572 -2.906 11.780 1.00 0.00 N ATOM 339 CA PRO A 22 3.730 -2.458 13.183 1.00 0.00 C ATOM 340 C PRO A 22 4.613 -1.202 13.236 1.00 0.00 C ATOM 341 O PRO A 22 5.444 -0.990 12.373 1.00 0.00 O ATOM 342 CB PRO A 22 4.419 -3.635 13.868 1.00 0.00 C ATOM 343 CG PRO A 22 5.138 -4.355 12.774 1.00 0.00 C ATOM 344 CD PRO A 22 4.369 -4.115 11.501 1.00 0.00 C ATOM 0 HA PRO A 22 2.786 -2.195 13.659 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.112 -3.293 14.637 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.694 -4.285 14.358 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.161 -3.989 12.680 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.199 -5.421 12.991 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.038 -3.964 10.654 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.731 -4.964 11.255 1.00 0.00 H new ATOM 415 N ASP A 27 2.682 9.198 8.313 1.00 0.00 N ATOM 416 CA ASP A 27 2.574 9.283 6.818 1.00 0.00 C ATOM 417 C ASP A 27 2.135 7.929 6.226 1.00 0.00 C ATOM 418 O ASP A 27 2.839 7.339 5.432 1.00 0.00 O ATOM 419 CB ASP A 27 3.977 9.654 6.333 1.00 0.00 C ATOM 420 CG ASP A 27 3.909 10.100 4.870 1.00 0.00 C ATOM 421 OD1 ASP A 27 4.036 9.249 4.006 1.00 0.00 O ATOM 422 OD2 ASP A 27 3.732 11.285 4.641 1.00 0.00 O ATOM 0 HA ASP A 27 1.829 10.015 6.506 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.387 10.454 6.950 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.646 8.799 6.433 1.00 0.00 H new ATOM 427 N ILE A 28 0.979 7.428 6.611 1.00 0.00 N ATOM 428 CA ILE A 28 0.512 6.112 6.061 1.00 0.00 C ATOM 429 C ILE A 28 -0.483 6.331 4.899 1.00 0.00 C ATOM 430 O ILE A 28 -0.493 5.573 3.946 1.00 0.00 O ATOM 431 CB ILE A 28 -0.110 5.356 7.266 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.166 3.848 6.975 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.520 5.870 7.598 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.073 3.560 5.773 1.00 0.00 C ATOM 0 H ILE A 28 0.345 7.870 7.276 1.00 0.00 H new ATOM 0 HA ILE A 28 1.322 5.525 5.629 1.00 0.00 H new ATOM 0 HB ILE A 28 0.528 5.540 8.130 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.838 3.474 6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.537 3.317 7.852 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.919 5.315 8.447 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.471 6.930 7.848 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.171 5.730 6.735 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.098 2.487 5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.082 3.915 5.985 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.685 4.074 4.893 1.00 0.00 H new ATOM 446 N LYS A 29 -1.298 7.361 4.949 1.00 0.00 N ATOM 447 CA LYS A 29 -2.249 7.606 3.811 1.00 0.00 C ATOM 448 C LYS A 29 -1.507 8.331 2.678 1.00 0.00 C ATOM 449 O LYS A 29 -1.749 8.069 1.514 1.00 0.00 O ATOM 450 CB LYS A 29 -3.389 8.477 4.362 1.00 0.00 C ATOM 451 CG LYS A 29 -4.659 8.231 3.545 1.00 0.00 C ATOM 452 CD LYS A 29 -5.883 8.346 4.455 1.00 0.00 C ATOM 453 CE LYS A 29 -6.153 6.996 5.123 1.00 0.00 C ATOM 454 NZ LYS A 29 -6.895 6.204 4.103 1.00 0.00 N ATOM 0 H LYS A 29 -1.347 8.033 5.715 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.647 6.674 3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.567 8.241 5.411 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.112 9.530 4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.727 8.955 2.733 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.624 7.242 3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.715 9.111 5.213 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.752 8.657 3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.223 6.503 5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.740 7.116 6.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.890 6.112 4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.844 6.687 3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.470 5.258 4.021 1.00 0.00 H new ATOM 468 N TYR A 30 -0.585 9.223 3.000 1.00 0.00 N ATOM 469 CA TYR A 30 0.177 9.924 1.910 1.00 0.00 C ATOM 470 C TYR A 30 1.270 9.003 1.332 1.00 0.00 C ATOM 471 O TYR A 30 1.744 9.236 0.234 1.00 0.00 O ATOM 472 CB TYR A 30 0.807 11.175 2.541 1.00 0.00 C ATOM 473 CG TYR A 30 -0.285 12.121 2.982 1.00 0.00 C ATOM 474 CD1 TYR A 30 -0.952 12.908 2.035 1.00 0.00 C ATOM 475 CD2 TYR A 30 -0.631 12.210 4.335 1.00 0.00 C ATOM 476 CE1 TYR A 30 -1.964 13.785 2.442 1.00 0.00 C ATOM 477 CE2 TYR A 30 -1.644 13.087 4.741 1.00 0.00 C ATOM 478 CZ TYR A 30 -2.310 13.875 3.795 1.00 0.00 C ATOM 479 OH TYR A 30 -3.308 14.739 4.198 1.00 0.00 O ATOM 0 H TYR A 30 -0.334 9.489 3.952 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.485 10.194 1.087 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.425 10.893 3.394 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.461 11.668 1.822 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.686 12.838 0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.117 11.603 5.065 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.478 14.392 1.712 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.912 13.156 5.785 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.422 14.677 5.169 1.00 0.00 H new ATOM 489 N VAL A 31 1.668 7.952 2.031 1.00 0.00 N ATOM 490 CA VAL A 31 2.709 7.042 1.451 1.00 0.00 C ATOM 491 C VAL A 31 2.034 6.021 0.510 1.00 0.00 C ATOM 492 O VAL A 31 2.606 5.635 -0.493 1.00 0.00 O ATOM 493 CB VAL A 31 3.427 6.364 2.646 1.00 0.00 C ATOM 494 CG1 VAL A 31 2.554 5.276 3.280 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.739 5.744 2.157 1.00 0.00 C ATOM 0 H VAL A 31 1.323 7.695 2.956 1.00 0.00 H new ATOM 0 HA VAL A 31 3.442 7.581 0.850 1.00 0.00 H new ATOM 0 HB VAL A 31 3.624 7.123 3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.088 4.821 4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.626 5.719 3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.326 4.513 2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.249 5.265 2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.526 5.001 1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.377 6.524 1.741 1.00 0.00 H new ATOM 505 N ALA A 32 0.816 5.598 0.808 1.00 0.00 N ATOM 506 CA ALA A 32 0.127 4.623 -0.109 1.00 0.00 C ATOM 507 C ALA A 32 -0.284 5.337 -1.404 1.00 0.00 C ATOM 508 O ALA A 32 -0.179 4.774 -2.478 1.00 0.00 O ATOM 509 CB ALA A 32 -1.118 4.110 0.634 1.00 0.00 C ATOM 0 H ALA A 32 0.282 5.881 1.630 1.00 0.00 H new ATOM 0 HA ALA A 32 0.785 3.795 -0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.650 3.398 0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.814 3.620 1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.774 4.949 0.867 1.00 0.00 H new ATOM 515 N GLU A 33 -0.742 6.575 -1.323 1.00 0.00 N ATOM 516 CA GLU A 33 -1.139 7.295 -2.587 1.00 0.00 C ATOM 517 C GLU A 33 0.076 7.408 -3.524 1.00 0.00 C ATOM 518 O GLU A 33 -0.060 7.284 -4.728 1.00 0.00 O ATOM 519 CB GLU A 33 -1.674 8.687 -2.187 1.00 0.00 C ATOM 520 CG GLU A 33 -0.572 9.527 -1.538 1.00 0.00 C ATOM 521 CD GLU A 33 -1.081 10.955 -1.325 1.00 0.00 C ATOM 522 OE1 GLU A 33 -1.991 11.127 -0.532 1.00 0.00 O ATOM 523 OE2 GLU A 33 -0.550 11.852 -1.960 1.00 0.00 O ATOM 0 H GLU A 33 -0.856 7.105 -0.459 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.915 6.749 -3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.058 9.201 -3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.508 8.576 -1.494 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.278 9.088 -0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.315 9.536 -2.172 1.00 0.00 H new ATOM 530 N TYR A 34 1.266 7.604 -2.989 1.00 0.00 N ATOM 531 CA TYR A 34 2.474 7.674 -3.882 1.00 0.00 C ATOM 532 C TYR A 34 2.770 6.260 -4.403 1.00 0.00 C ATOM 533 O TYR A 34 3.075 6.074 -5.566 1.00 0.00 O ATOM 534 CB TYR A 34 3.641 8.206 -3.019 1.00 0.00 C ATOM 535 CG TYR A 34 4.962 8.134 -3.770 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.021 8.369 -5.156 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.137 7.838 -3.066 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.248 8.308 -5.825 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.362 7.775 -3.740 1.00 0.00 C ATOM 540 CZ TYR A 34 7.418 8.010 -5.118 1.00 0.00 C ATOM 541 OH TYR A 34 8.625 7.953 -5.781 1.00 0.00 O ATOM 0 H TYR A 34 1.450 7.716 -1.992 1.00 0.00 H new ATOM 0 HA TYR A 34 2.322 8.331 -4.739 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.441 9.238 -2.729 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.711 7.624 -2.100 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.118 8.597 -5.704 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.097 7.658 -2.002 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.292 8.491 -6.888 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.266 7.545 -3.195 1.00 0.00 H new ATOM 0 HH TYR A 34 9.115 8.790 -5.642 1.00 0.00 H new ATOM 551 N ILE A 35 2.659 5.255 -3.553 1.00 0.00 N ATOM 552 CA ILE A 35 2.911 3.845 -4.020 1.00 0.00 C ATOM 553 C ILE A 35 1.954 3.528 -5.184 1.00 0.00 C ATOM 554 O ILE A 35 2.360 2.979 -6.190 1.00 0.00 O ATOM 555 CB ILE A 35 2.648 2.939 -2.798 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.758 3.163 -1.769 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.634 1.463 -3.204 1.00 0.00 C ATOM 558 CD1 ILE A 35 3.294 2.682 -0.394 1.00 0.00 C ATOM 0 H ILE A 35 2.408 5.349 -2.569 1.00 0.00 H new ATOM 0 HA ILE A 35 3.926 3.693 -4.386 1.00 0.00 H new ATOM 0 HB ILE A 35 1.675 3.192 -2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.658 2.625 -2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.018 4.221 -1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.447 0.846 -2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.847 1.295 -3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.598 1.195 -3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.088 2.844 0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.407 3.239 -0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.056 1.619 -0.442 1.00 0.00 H new ATOM 570 N VAL A 36 0.697 3.902 -5.067 1.00 0.00 N ATOM 571 CA VAL A 36 -0.262 3.644 -6.199 1.00 0.00 C ATOM 572 C VAL A 36 0.171 4.483 -7.409 1.00 0.00 C ATOM 573 O VAL A 36 0.173 4.004 -8.528 1.00 0.00 O ATOM 574 CB VAL A 36 -1.657 4.075 -5.713 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.683 3.852 -6.829 1.00 0.00 C ATOM 576 CG2 VAL A 36 -2.046 3.244 -4.486 1.00 0.00 C ATOM 0 H VAL A 36 0.298 4.367 -4.252 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.275 2.594 -6.493 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.638 5.132 -5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.670 4.158 -6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.406 4.443 -7.702 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.704 2.796 -7.098 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.034 3.547 -4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.064 2.187 -4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.318 3.405 -3.691 1.00 0.00 H new ATOM 586 N LEU A 37 0.562 5.727 -7.195 1.00 0.00 N ATOM 587 CA LEU A 37 1.019 6.575 -8.356 1.00 0.00 C ATOM 588 C LEU A 37 2.210 5.883 -9.034 1.00 0.00 C ATOM 589 O LEU A 37 2.276 5.801 -10.246 1.00 0.00 O ATOM 590 CB LEU A 37 1.453 7.936 -7.785 1.00 0.00 C ATOM 591 CG LEU A 37 1.139 9.039 -8.799 1.00 0.00 C ATOM 592 CD1 LEU A 37 -0.225 9.654 -8.480 1.00 0.00 C ATOM 593 CD2 LEU A 37 2.218 10.124 -8.723 1.00 0.00 C ATOM 0 H LEU A 37 0.585 6.185 -6.284 1.00 0.00 H new ATOM 0 HA LEU A 37 0.225 6.710 -9.091 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.933 8.131 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.520 7.925 -7.562 1.00 0.00 H new ATOM 0 HG LEU A 37 1.120 8.614 -9.803 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.448 10.439 -9.202 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.993 8.883 -8.534 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.207 10.079 -7.476 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.995 10.910 -9.445 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.237 10.548 -7.719 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.190 9.687 -8.951 1.00 0.00 H new ATOM 605 N LEU A 38 3.138 5.346 -8.257 1.00 0.00 N ATOM 606 CA LEU A 38 4.299 4.621 -8.883 1.00 0.00 C ATOM 607 C LEU A 38 3.748 3.402 -9.643 1.00 0.00 C ATOM 608 O LEU A 38 4.121 3.139 -10.770 1.00 0.00 O ATOM 609 CB LEU A 38 5.214 4.154 -7.738 1.00 0.00 C ATOM 610 CG LEU A 38 5.823 5.364 -7.028 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.514 4.903 -5.742 1.00 0.00 C ATOM 612 CD2 LEU A 38 6.848 6.031 -7.949 1.00 0.00 C ATOM 0 H LEU A 38 3.140 5.379 -7.238 1.00 0.00 H new ATOM 0 HA LEU A 38 4.853 5.257 -9.573 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.645 3.554 -7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.006 3.516 -8.131 1.00 0.00 H new ATOM 0 HG LEU A 38 5.037 6.078 -6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.949 5.764 -5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.784 4.426 -5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.301 4.190 -5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.283 6.894 -7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.636 5.318 -8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.356 6.357 -8.866 1.00 0.00 H new ATOM 624 N ILE A 39 2.837 2.674 -9.029 1.00 0.00 N ATOM 625 CA ILE A 39 2.228 1.479 -9.717 1.00 0.00 C ATOM 626 C ILE A 39 1.493 1.951 -10.984 1.00 0.00 C ATOM 627 O ILE A 39 1.594 1.337 -12.030 1.00 0.00 O ATOM 628 CB ILE A 39 1.229 0.871 -8.700 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.006 0.284 -7.502 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.358 -0.213 -9.359 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.734 -1.007 -7.897 1.00 0.00 C ATOM 0 H ILE A 39 2.490 2.853 -8.087 1.00 0.00 H new ATOM 0 HA ILE A 39 2.975 0.744 -10.018 1.00 0.00 H new ATOM 0 HB ILE A 39 0.565 1.661 -8.348 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.728 1.016 -7.138 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.317 0.081 -6.682 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.333 -0.622 -8.622 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.206 0.225 -10.182 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.996 -1.011 -9.740 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.273 -1.399 -7.035 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.007 -1.745 -8.237 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.440 -0.796 -8.701 1.00 0.00 H new ATOM 643 N VAL A 40 0.761 3.039 -10.896 1.00 0.00 N ATOM 644 CA VAL A 40 0.025 3.548 -12.109 1.00 0.00 C ATOM 645 C VAL A 40 1.004 4.114 -13.159 1.00 0.00 C ATOM 646 O VAL A 40 0.643 4.259 -14.313 1.00 0.00 O ATOM 647 CB VAL A 40 -0.922 4.657 -11.617 1.00 0.00 C ATOM 648 CG1 VAL A 40 -1.746 5.194 -12.791 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.867 4.092 -10.550 1.00 0.00 C ATOM 0 H VAL A 40 0.640 3.594 -10.049 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.524 2.738 -12.589 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.331 5.467 -11.189 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.415 5.979 -12.437 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.077 5.602 -13.549 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.334 4.384 -13.224 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.536 4.879 -10.203 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.454 3.279 -10.977 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.284 3.716 -9.710 1.00 0.00 H new ATOM 659 N ASN A 41 2.232 4.441 -12.789 1.00 0.00 N ATOM 660 CA ASN A 41 3.186 4.996 -13.796 1.00 0.00 C ATOM 661 C ASN A 41 4.521 4.224 -13.793 1.00 0.00 C ATOM 662 O ASN A 41 5.529 4.754 -14.225 1.00 0.00 O ATOM 663 CB ASN A 41 3.418 6.446 -13.362 1.00 0.00 C ATOM 664 CG ASN A 41 2.085 7.208 -13.349 1.00 0.00 C ATOM 665 OD1 ASN A 41 1.499 7.437 -14.388 1.00 0.00 O ATOM 666 ND2 ASN A 41 1.577 7.616 -12.211 1.00 0.00 N ATOM 0 H ASN A 41 2.602 4.346 -11.843 1.00 0.00 H new ATOM 0 HA ASN A 41 2.787 4.917 -14.807 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.870 6.470 -12.370 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.117 6.931 -14.043 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.692 8.124 -12.200 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.066 7.425 -11.337 1.00 0.00 H new ATOM 673 N GLY A 42 4.554 2.988 -13.322 1.00 0.00 N ATOM 674 CA GLY A 42 5.849 2.236 -13.324 1.00 0.00 C ATOM 675 C GLY A 42 5.766 1.043 -12.361 1.00 0.00 C ATOM 676 O GLY A 42 6.353 1.065 -11.296 1.00 0.00 O ATOM 0 H GLY A 42 3.753 2.482 -12.945 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.074 1.886 -14.331 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.663 2.897 -13.027 1.00 0.00 H new ATOM 680 N GLY A 43 5.036 0.008 -12.721 1.00 0.00 N ATOM 681 CA GLY A 43 4.917 -1.176 -11.818 1.00 0.00 C ATOM 682 C GLY A 43 6.259 -1.924 -11.742 1.00 0.00 C ATOM 683 O GLY A 43 6.387 -3.028 -12.237 1.00 0.00 O ATOM 0 H GLY A 43 4.521 -0.063 -13.599 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.615 -0.853 -10.821 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.139 -1.846 -12.185 1.00 0.00 H new ATOM 687 N THR A 44 7.253 -1.344 -11.104 1.00 0.00 N ATOM 688 CA THR A 44 8.571 -2.022 -10.967 1.00 0.00 C ATOM 689 C THR A 44 8.937 -2.064 -9.475 1.00 0.00 C ATOM 690 O THR A 44 9.345 -1.069 -8.910 1.00 0.00 O ATOM 691 CB THR A 44 9.547 -1.146 -11.754 1.00 0.00 C ATOM 692 OG1 THR A 44 9.260 0.223 -11.497 1.00 0.00 O ATOM 693 CG2 THR A 44 9.395 -1.431 -13.252 1.00 0.00 C ATOM 0 H THR A 44 7.199 -0.422 -10.671 1.00 0.00 H new ATOM 0 HA THR A 44 8.580 -3.046 -11.340 1.00 0.00 H new ATOM 0 HB THR A 44 10.569 -1.368 -11.447 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.772 0.786 -12.114 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.090 -0.807 -13.813 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.612 -2.481 -13.446 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.375 -1.208 -13.563 1.00 0.00 H new ATOM 701 N VAL A 45 8.758 -3.198 -8.821 1.00 0.00 N ATOM 702 CA VAL A 45 9.063 -3.273 -7.338 1.00 0.00 C ATOM 703 C VAL A 45 10.455 -2.695 -7.018 1.00 0.00 C ATOM 704 O VAL A 45 10.641 -2.085 -5.983 1.00 0.00 O ATOM 705 CB VAL A 45 8.986 -4.763 -6.939 1.00 0.00 C ATOM 706 CG1 VAL A 45 9.354 -4.930 -5.460 1.00 0.00 C ATOM 707 CG2 VAL A 45 7.557 -5.272 -7.153 1.00 0.00 C ATOM 0 H VAL A 45 8.419 -4.064 -9.239 1.00 0.00 H new ATOM 0 HA VAL A 45 8.345 -2.678 -6.774 1.00 0.00 H new ATOM 0 HB VAL A 45 9.684 -5.331 -7.554 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.297 -5.984 -5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.368 -4.567 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.659 -4.358 -4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.499 -6.324 -6.872 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.869 -4.694 -6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.285 -5.161 -8.203 1.00 0.00 H new ATOM 717 N GLU A 46 11.428 -2.874 -7.880 1.00 0.00 N ATOM 718 CA GLU A 46 12.791 -2.313 -7.569 1.00 0.00 C ATOM 719 C GLU A 46 12.754 -0.782 -7.639 1.00 0.00 C ATOM 720 O GLU A 46 13.117 -0.114 -6.689 1.00 0.00 O ATOM 721 CB GLU A 46 13.763 -2.882 -8.613 1.00 0.00 C ATOM 722 CG GLU A 46 15.200 -2.738 -8.106 1.00 0.00 C ATOM 723 CD GLU A 46 15.781 -1.409 -8.588 1.00 0.00 C ATOM 724 OE1 GLU A 46 15.533 -1.054 -9.729 1.00 0.00 O ATOM 725 OE2 GLU A 46 16.465 -0.766 -7.808 1.00 0.00 O ATOM 0 H GLU A 46 11.346 -3.372 -8.767 1.00 0.00 H new ATOM 0 HA GLU A 46 13.110 -2.589 -6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.536 -3.931 -8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.646 -2.355 -9.560 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.219 -2.781 -7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.809 -3.566 -8.468 1.00 0.00 H new ATOM 732 N SER A 47 12.304 -0.217 -8.739 1.00 0.00 N ATOM 733 CA SER A 47 12.241 1.285 -8.815 1.00 0.00 C ATOM 734 C SER A 47 11.156 1.809 -7.859 1.00 0.00 C ATOM 735 O SER A 47 11.290 2.885 -7.306 1.00 0.00 O ATOM 736 CB SER A 47 11.903 1.653 -10.268 1.00 0.00 C ATOM 737 OG SER A 47 12.089 0.514 -11.101 1.00 0.00 O ATOM 0 H SER A 47 11.984 -0.715 -9.570 1.00 0.00 H new ATOM 0 HA SER A 47 13.190 1.734 -8.521 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.873 2.002 -10.336 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.540 2.471 -10.605 1.00 0.00 H new ATOM 0 HG SER A 47 11.872 0.748 -12.028 1.00 0.00 H new ATOM 743 N VAL A 48 10.088 1.060 -7.647 1.00 0.00 N ATOM 744 CA VAL A 48 9.022 1.545 -6.707 1.00 0.00 C ATOM 745 C VAL A 48 9.523 1.441 -5.263 1.00 0.00 C ATOM 746 O VAL A 48 9.306 2.341 -4.475 1.00 0.00 O ATOM 747 CB VAL A 48 7.784 0.651 -6.923 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.660 1.081 -5.975 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.297 0.795 -8.367 1.00 0.00 C ATOM 0 H VAL A 48 9.914 0.152 -8.077 1.00 0.00 H new ATOM 0 HA VAL A 48 8.770 2.588 -6.897 1.00 0.00 H new ATOM 0 HB VAL A 48 8.055 -0.386 -6.723 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.788 0.446 -6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.998 0.985 -4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.393 2.119 -6.174 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.422 0.163 -8.521 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.032 1.835 -8.560 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.089 0.490 -9.050 1.00 0.00 H new ATOM 759 N VAL A 49 10.205 0.372 -4.904 1.00 0.00 N ATOM 760 CA VAL A 49 10.713 0.273 -3.490 1.00 0.00 C ATOM 761 C VAL A 49 11.828 1.310 -3.276 1.00 0.00 C ATOM 762 O VAL A 49 11.918 1.913 -2.222 1.00 0.00 O ATOM 763 CB VAL A 49 11.232 -1.169 -3.296 1.00 0.00 C ATOM 764 CG1 VAL A 49 11.943 -1.305 -1.943 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.044 -2.134 -3.327 1.00 0.00 C ATOM 0 H VAL A 49 10.428 -0.417 -5.511 1.00 0.00 H new ATOM 0 HA VAL A 49 9.930 0.482 -2.761 1.00 0.00 H new ATOM 0 HB VAL A 49 11.936 -1.402 -4.095 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.303 -2.327 -1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.787 -0.616 -1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.245 -1.069 -1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.401 -3.155 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.350 -1.882 -2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.534 -2.053 -4.287 1.00 0.00 H new ATOM 775 N ASP A 50 12.668 1.540 -4.265 1.00 0.00 N ATOM 776 CA ASP A 50 13.757 2.565 -4.088 1.00 0.00 C ATOM 777 C ASP A 50 13.149 3.947 -3.782 1.00 0.00 C ATOM 778 O ASP A 50 13.757 4.747 -3.094 1.00 0.00 O ATOM 779 CB ASP A 50 14.545 2.614 -5.408 1.00 0.00 C ATOM 780 CG ASP A 50 15.950 3.155 -5.144 1.00 0.00 C ATOM 781 OD1 ASP A 50 16.075 4.353 -4.940 1.00 0.00 O ATOM 782 OD2 ASP A 50 16.880 2.365 -5.150 1.00 0.00 O ATOM 0 H ASP A 50 12.649 1.072 -5.171 1.00 0.00 H new ATOM 0 HA ASP A 50 14.407 2.299 -3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.604 1.617 -5.846 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.029 3.249 -6.128 1.00 0.00 H new ATOM 787 N GLU A 51 11.961 4.243 -4.281 1.00 0.00 N ATOM 788 CA GLU A 51 11.353 5.591 -3.991 1.00 0.00 C ATOM 789 C GLU A 51 10.860 5.653 -2.540 1.00 0.00 C ATOM 790 O GLU A 51 11.023 6.660 -1.875 1.00 0.00 O ATOM 791 CB GLU A 51 10.178 5.772 -4.964 1.00 0.00 C ATOM 792 CG GLU A 51 10.691 6.382 -6.270 1.00 0.00 C ATOM 793 CD GLU A 51 9.811 5.916 -7.432 1.00 0.00 C ATOM 794 OE1 GLU A 51 9.461 4.748 -7.453 1.00 0.00 O ATOM 795 OE2 GLU A 51 9.502 6.736 -8.281 1.00 0.00 O ATOM 0 H GLU A 51 11.398 3.623 -4.864 1.00 0.00 H new ATOM 0 HA GLU A 51 12.089 6.385 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.702 4.811 -5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.420 6.418 -4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.679 7.470 -6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.725 6.084 -6.441 1.00 0.00 H new ATOM 802 N LEU A 52 10.274 4.588 -2.030 1.00 0.00 N ATOM 803 CA LEU A 52 9.801 4.625 -0.602 1.00 0.00 C ATOM 804 C LEU A 52 11.010 4.580 0.341 1.00 0.00 C ATOM 805 O LEU A 52 10.988 5.181 1.395 1.00 0.00 O ATOM 806 CB LEU A 52 8.902 3.390 -0.364 1.00 0.00 C ATOM 807 CG LEU A 52 7.475 3.600 -0.913 1.00 0.00 C ATOM 808 CD1 LEU A 52 6.874 4.919 -0.412 1.00 0.00 C ATOM 809 CD2 LEU A 52 7.507 3.598 -2.441 1.00 0.00 C ATOM 0 H LEU A 52 10.106 3.714 -2.528 1.00 0.00 H new ATOM 0 HA LEU A 52 9.242 5.540 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.350 2.518 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.852 3.178 0.704 1.00 0.00 H new ATOM 0 HG LEU A 52 6.849 2.783 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.869 5.038 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.828 4.908 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.497 5.751 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.498 3.746 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.152 4.403 -2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.894 2.643 -2.796 1.00 0.00 H new ATOM 821 N ALA A 53 12.073 3.887 -0.024 1.00 0.00 N ATOM 822 CA ALA A 53 13.274 3.848 0.882 1.00 0.00 C ATOM 823 C ALA A 53 13.965 5.221 0.882 1.00 0.00 C ATOM 824 O ALA A 53 14.437 5.677 1.906 1.00 0.00 O ATOM 825 CB ALA A 53 14.221 2.772 0.326 1.00 0.00 C ATOM 0 H ALA A 53 12.160 3.358 -0.892 1.00 0.00 H new ATOM 0 HA ALA A 53 12.989 3.615 1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 53 15.109 2.709 0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.712 1.808 0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.514 3.035 -0.690 1.00 0.00 H new ATOM 831 N SER A 54 14.022 5.891 -0.254 1.00 0.00 N ATOM 832 CA SER A 54 14.684 7.246 -0.287 1.00 0.00 C ATOM 833 C SER A 54 13.955 8.220 0.654 1.00 0.00 C ATOM 834 O SER A 54 14.576 9.055 1.282 1.00 0.00 O ATOM 835 CB SER A 54 14.597 7.748 -1.736 1.00 0.00 C ATOM 836 OG SER A 54 15.447 8.877 -1.894 1.00 0.00 O ATOM 0 H SER A 54 13.646 5.566 -1.145 1.00 0.00 H new ATOM 0 HA SER A 54 15.720 7.180 0.044 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.892 6.957 -2.425 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.569 8.016 -1.979 1.00 0.00 H new ATOM 0 HG SER A 54 15.395 9.199 -2.818 1.00 0.00 H new ATOM 842 N LEU A 55 12.644 8.119 0.766 1.00 0.00 N ATOM 843 CA LEU A 55 11.899 9.049 1.682 1.00 0.00 C ATOM 844 C LEU A 55 11.663 8.370 3.040 1.00 0.00 C ATOM 845 O LEU A 55 11.806 8.986 4.079 1.00 0.00 O ATOM 846 CB LEU A 55 10.563 9.348 0.989 1.00 0.00 C ATOM 847 CG LEU A 55 10.823 10.007 -0.366 1.00 0.00 C ATOM 848 CD1 LEU A 55 9.616 9.788 -1.281 1.00 0.00 C ATOM 849 CD2 LEU A 55 11.044 11.508 -0.166 1.00 0.00 C ATOM 0 H LEU A 55 12.066 7.441 0.269 1.00 0.00 H new ATOM 0 HA LEU A 55 12.458 9.965 1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.998 8.426 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.957 10.004 1.613 1.00 0.00 H new ATOM 0 HG LEU A 55 11.709 9.565 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.802 10.258 -2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.456 8.719 -1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.730 10.231 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.230 11.980 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.157 11.949 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.903 11.666 0.486 1.00 0.00 H new ATOM 861 N PHE A 56 11.313 7.102 3.040 1.00 0.00 N ATOM 862 CA PHE A 56 11.082 6.382 4.329 1.00 0.00 C ATOM 863 C PHE A 56 12.227 5.384 4.561 1.00 0.00 C ATOM 864 O PHE A 56 12.061 4.193 4.377 1.00 0.00 O ATOM 865 CB PHE A 56 9.747 5.636 4.166 1.00 0.00 C ATOM 866 CG PHE A 56 8.656 6.602 3.761 1.00 0.00 C ATOM 867 CD1 PHE A 56 8.149 7.520 4.688 1.00 0.00 C ATOM 868 CD2 PHE A 56 8.157 6.580 2.452 1.00 0.00 C ATOM 869 CE1 PHE A 56 7.142 8.414 4.307 1.00 0.00 C ATOM 870 CE2 PHE A 56 7.153 7.475 2.072 1.00 0.00 C ATOM 871 CZ PHE A 56 6.644 8.392 2.998 1.00 0.00 C ATOM 0 H PHE A 56 11.178 6.538 2.201 1.00 0.00 H new ATOM 0 HA PHE A 56 11.049 7.062 5.180 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.848 4.854 3.413 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.479 5.145 5.102 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.535 7.538 5.697 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.548 5.872 1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.749 9.121 5.022 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.770 7.459 1.062 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.868 9.083 2.704 1.00 0.00 H new ATOM 881 N ASP A 57 13.389 5.857 4.965 1.00 0.00 N ATOM 882 CA ASP A 57 14.534 4.916 5.205 1.00 0.00 C ATOM 883 C ASP A 57 14.693 4.606 6.707 1.00 0.00 C ATOM 884 O ASP A 57 15.780 4.295 7.159 1.00 0.00 O ATOM 885 CB ASP A 57 15.781 5.634 4.674 1.00 0.00 C ATOM 886 CG ASP A 57 16.726 4.613 4.036 1.00 0.00 C ATOM 887 OD1 ASP A 57 16.268 3.857 3.195 1.00 0.00 O ATOM 888 OD2 ASP A 57 17.890 4.605 4.400 1.00 0.00 O ATOM 0 H ASP A 57 13.591 6.842 5.137 1.00 0.00 H new ATOM 0 HA ASP A 57 14.370 3.961 4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.495 6.388 3.941 1.00 0.00 H new ATOM 0 HB3 ASP A 57 16.287 6.155 5.487 1.00 0.00 H new ATOM 893 N SER A 58 13.627 4.669 7.485 1.00 0.00 N ATOM 894 CA SER A 58 13.751 4.353 8.949 1.00 0.00 C ATOM 895 C SER A 58 13.333 2.896 9.215 1.00 0.00 C ATOM 896 O SER A 58 13.932 2.218 10.029 1.00 0.00 O ATOM 897 CB SER A 58 12.811 5.325 9.673 1.00 0.00 C ATOM 898 OG SER A 58 11.479 5.111 9.225 1.00 0.00 O ATOM 0 H SER A 58 12.690 4.922 7.172 1.00 0.00 H new ATOM 0 HA SER A 58 14.778 4.462 9.299 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.873 5.174 10.751 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.112 6.354 9.477 1.00 0.00 H new ATOM 0 HG SER A 58 10.875 5.729 9.687 1.00 0.00 H new ATOM 904 N VAL A 59 12.315 2.405 8.537 1.00 0.00 N ATOM 905 CA VAL A 59 11.879 0.982 8.762 1.00 0.00 C ATOM 906 C VAL A 59 12.673 0.030 7.851 1.00 0.00 C ATOM 907 O VAL A 59 13.191 0.433 6.826 1.00 0.00 O ATOM 908 CB VAL A 59 10.369 0.928 8.446 1.00 0.00 C ATOM 909 CG1 VAL A 59 10.117 1.199 6.952 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.830 -0.457 8.816 1.00 0.00 C ATOM 0 H VAL A 59 11.772 2.922 7.845 1.00 0.00 H new ATOM 0 HA VAL A 59 12.066 0.666 9.788 1.00 0.00 H new ATOM 0 HB VAL A 59 9.857 1.695 9.026 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.047 1.156 6.750 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.496 2.187 6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.629 0.445 6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.763 -0.503 8.596 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.353 -1.218 8.237 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.989 -0.637 9.879 1.00 0.00 H new ATOM 920 N SER A 60 12.780 -1.230 8.222 1.00 0.00 N ATOM 921 CA SER A 60 13.558 -2.205 7.369 1.00 0.00 C ATOM 922 C SER A 60 13.034 -2.209 5.920 1.00 0.00 C ATOM 923 O SER A 60 11.848 -2.083 5.686 1.00 0.00 O ATOM 924 CB SER A 60 13.365 -3.593 7.998 1.00 0.00 C ATOM 925 OG SER A 60 14.283 -3.754 9.071 1.00 0.00 O ATOM 0 H SER A 60 12.369 -1.625 9.068 1.00 0.00 H new ATOM 0 HA SER A 60 14.611 -1.925 7.333 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.343 -3.702 8.360 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.523 -4.369 7.249 1.00 0.00 H new ATOM 0 HG SER A 60 14.161 -4.638 9.476 1.00 0.00 H new ATOM 931 N ARG A 61 13.912 -2.363 4.946 1.00 0.00 N ATOM 932 CA ARG A 61 13.456 -2.382 3.504 1.00 0.00 C ATOM 933 C ARG A 61 12.347 -3.428 3.294 1.00 0.00 C ATOM 934 O ARG A 61 11.460 -3.233 2.485 1.00 0.00 O ATOM 935 CB ARG A 61 14.687 -2.751 2.658 1.00 0.00 C ATOM 936 CG ARG A 61 15.724 -1.628 2.745 1.00 0.00 C ATOM 937 CD ARG A 61 15.568 -0.692 1.542 1.00 0.00 C ATOM 938 NE ARG A 61 16.611 -1.134 0.576 1.00 0.00 N ATOM 939 CZ ARG A 61 16.327 -2.037 -0.323 1.00 0.00 C ATOM 940 NH1 ARG A 61 15.294 -1.877 -1.105 1.00 0.00 N ATOM 941 NH2 ARG A 61 17.074 -3.100 -0.440 1.00 0.00 N ATOM 0 H ARG A 61 14.916 -2.476 5.083 1.00 0.00 H new ATOM 0 HA ARG A 61 13.049 -1.412 3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.118 -3.687 3.014 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.394 -2.910 1.620 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.594 -1.070 3.672 1.00 0.00 H new ATOM 0 HG3 ARG A 61 16.730 -2.048 2.764 1.00 0.00 H new ATOM 0 HD2 ARG A 61 14.571 -0.768 1.109 1.00 0.00 H new ATOM 0 HD3 ARG A 61 15.712 0.349 1.830 1.00 0.00 H new ATOM 0 HE ARG A 61 17.547 -0.731 0.617 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.709 -1.047 -1.014 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.072 -2.582 -1.807 1.00 0.00 H new ATOM 0 HH21 ARG A 61 17.881 -3.226 0.171 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.851 -3.805 -1.143 1.00 0.00 H new ATOM 955 N ASP A 62 12.389 -4.537 4.006 1.00 0.00 N ATOM 956 CA ASP A 62 11.319 -5.587 3.820 1.00 0.00 C ATOM 957 C ASP A 62 9.928 -4.982 4.063 1.00 0.00 C ATOM 958 O ASP A 62 8.984 -5.296 3.361 1.00 0.00 O ATOM 959 CB ASP A 62 11.600 -6.696 4.847 1.00 0.00 C ATOM 960 CG ASP A 62 12.862 -7.460 4.442 1.00 0.00 C ATOM 961 OD1 ASP A 62 12.819 -8.141 3.430 1.00 0.00 O ATOM 962 OD2 ASP A 62 13.850 -7.349 5.149 1.00 0.00 O ATOM 0 H ASP A 62 13.105 -4.761 4.698 1.00 0.00 H new ATOM 0 HA ASP A 62 11.334 -5.981 2.804 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.727 -6.263 5.839 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.752 -7.378 4.903 1.00 0.00 H new ATOM 967 N THR A 63 9.792 -4.113 5.042 1.00 0.00 N ATOM 968 CA THR A 63 8.442 -3.494 5.300 1.00 0.00 C ATOM 969 C THR A 63 8.025 -2.656 4.084 1.00 0.00 C ATOM 970 O THR A 63 6.887 -2.708 3.653 1.00 0.00 O ATOM 971 CB THR A 63 8.587 -2.601 6.547 1.00 0.00 C ATOM 972 OG1 THR A 63 8.975 -3.401 7.660 1.00 0.00 O ATOM 973 CG2 THR A 63 7.251 -1.920 6.853 1.00 0.00 C ATOM 0 H THR A 63 10.541 -3.808 5.664 1.00 0.00 H new ATOM 0 HA THR A 63 7.678 -4.254 5.464 1.00 0.00 H new ATOM 0 HB THR A 63 9.345 -1.841 6.359 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.765 -2.928 8.492 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.358 -1.289 7.736 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.952 -1.307 6.003 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.490 -2.678 7.039 1.00 0.00 H new ATOM 981 N LEU A 64 8.937 -1.894 3.521 1.00 0.00 N ATOM 982 CA LEU A 64 8.572 -1.066 2.319 1.00 0.00 C ATOM 983 C LEU A 64 8.231 -2.000 1.155 1.00 0.00 C ATOM 984 O LEU A 64 7.222 -1.832 0.494 1.00 0.00 O ATOM 985 CB LEU A 64 9.805 -0.212 1.965 1.00 0.00 C ATOM 986 CG LEU A 64 10.131 0.753 3.121 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.519 0.435 3.687 1.00 0.00 C ATOM 988 CD2 LEU A 64 10.120 2.195 2.604 1.00 0.00 C ATOM 0 H LEU A 64 9.904 -1.809 3.834 1.00 0.00 H new ATOM 0 HA LEU A 64 7.711 -0.429 2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.660 -0.858 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.616 0.353 1.052 1.00 0.00 H new ATOM 0 HG LEU A 64 9.382 0.636 3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.744 1.120 4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.535 -0.590 4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.267 0.548 2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.351 2.877 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.867 2.305 1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.134 2.430 2.203 1.00 0.00 H new ATOM 1000 N ALA A 65 9.059 -2.990 0.905 1.00 0.00 N ATOM 1001 CA ALA A 65 8.760 -3.946 -0.223 1.00 0.00 C ATOM 1002 C ALA A 65 7.403 -4.630 0.009 1.00 0.00 C ATOM 1003 O ALA A 65 6.664 -4.874 -0.926 1.00 0.00 O ATOM 1004 CB ALA A 65 9.887 -4.991 -0.230 1.00 0.00 C ATOM 0 H ALA A 65 9.917 -3.179 1.422 1.00 0.00 H new ATOM 0 HA ALA A 65 8.708 -3.422 -1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.714 -5.708 -1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.844 -4.493 -0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.904 -5.514 0.726 1.00 0.00 H new ATOM 1010 N ASN A 66 7.064 -4.941 1.245 1.00 0.00 N ATOM 1011 CA ASN A 66 5.740 -5.610 1.509 1.00 0.00 C ATOM 1012 C ASN A 66 4.581 -4.723 1.020 1.00 0.00 C ATOM 1013 O ASN A 66 3.582 -5.228 0.542 1.00 0.00 O ATOM 1014 CB ASN A 66 5.639 -5.817 3.029 1.00 0.00 C ATOM 1015 CG ASN A 66 6.504 -7.016 3.440 1.00 0.00 C ATOM 1016 OD1 ASN A 66 7.462 -7.341 2.768 1.00 0.00 O ATOM 1017 ND2 ASN A 66 6.210 -7.694 4.524 1.00 0.00 N ATOM 0 H ASN A 66 7.636 -4.764 2.070 1.00 0.00 H new ATOM 0 HA ASN A 66 5.676 -6.559 0.977 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.970 -4.920 3.552 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.601 -5.988 3.315 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.785 -8.490 4.799 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.406 -7.425 5.092 1.00 0.00 H new ATOM 1024 N VAL A 67 4.697 -3.411 1.126 1.00 0.00 N ATOM 1025 CA VAL A 67 3.570 -2.532 0.646 1.00 0.00 C ATOM 1026 C VAL A 67 3.572 -2.484 -0.891 1.00 0.00 C ATOM 1027 O VAL A 67 2.528 -2.537 -1.513 1.00 0.00 O ATOM 1028 CB VAL A 67 3.805 -1.138 1.250 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.692 -0.188 0.802 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.795 -1.244 2.779 1.00 0.00 C ATOM 0 H VAL A 67 5.503 -2.921 1.514 1.00 0.00 H new ATOM 0 HA VAL A 67 2.598 -2.915 0.957 1.00 0.00 H new ATOM 0 HB VAL A 67 4.767 -0.753 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.861 0.799 1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.692 -0.115 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.729 -0.571 1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.961 -0.258 3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.831 -1.629 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.586 -1.921 3.102 1.00 0.00 H new ATOM 1040 N VAL A 68 4.732 -2.420 -1.516 1.00 0.00 N ATOM 1041 CA VAL A 68 4.759 -2.416 -3.023 1.00 0.00 C ATOM 1042 C VAL A 68 4.395 -3.823 -3.532 1.00 0.00 C ATOM 1043 O VAL A 68 3.752 -3.962 -4.555 1.00 0.00 O ATOM 1044 CB VAL A 68 6.190 -2.042 -3.445 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.275 -1.990 -4.972 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.547 -0.668 -2.872 1.00 0.00 C ATOM 0 H VAL A 68 5.643 -2.371 -1.060 1.00 0.00 H new ATOM 0 HA VAL A 68 4.045 -1.705 -3.440 1.00 0.00 H new ATOM 0 HB VAL A 68 6.887 -2.790 -3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.289 -1.725 -5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.018 -2.966 -5.384 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.578 -1.242 -5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.561 -0.402 -3.170 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.849 0.078 -3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.485 -0.700 -1.784 1.00 0.00 H new ATOM 1056 N GLN A 69 4.787 -4.872 -2.822 1.00 0.00 N ATOM 1057 CA GLN A 69 4.432 -6.259 -3.290 1.00 0.00 C ATOM 1058 C GLN A 69 2.910 -6.452 -3.248 1.00 0.00 C ATOM 1059 O GLN A 69 2.340 -7.055 -4.139 1.00 0.00 O ATOM 1060 CB GLN A 69 5.121 -7.244 -2.330 1.00 0.00 C ATOM 1061 CG GLN A 69 5.338 -8.582 -3.041 1.00 0.00 C ATOM 1062 CD GLN A 69 6.598 -9.258 -2.486 1.00 0.00 C ATOM 1063 OE1 GLN A 69 6.511 -10.085 -1.600 1.00 0.00 O ATOM 1064 NE2 GLN A 69 7.776 -8.942 -2.968 1.00 0.00 N ATOM 0 H GLN A 69 5.326 -4.826 -1.957 1.00 0.00 H new ATOM 0 HA GLN A 69 4.761 -6.424 -4.316 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.076 -6.837 -1.998 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.509 -7.388 -1.439 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.472 -9.228 -2.896 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.441 -8.423 -4.114 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.853 -8.248 -3.712 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.615 -9.390 -2.599 1.00 0.00 H new ATOM 1073 N THR A 70 2.241 -5.944 -2.230 1.00 0.00 N ATOM 1074 CA THR A 70 0.743 -6.116 -2.177 1.00 0.00 C ATOM 1075 C THR A 70 0.067 -5.272 -3.275 1.00 0.00 C ATOM 1076 O THR A 70 -0.967 -5.654 -3.792 1.00 0.00 O ATOM 1077 CB THR A 70 0.271 -5.688 -0.772 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.130 -5.893 -0.667 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.584 -4.212 -0.521 1.00 0.00 C ATOM 0 H THR A 70 2.654 -5.430 -1.452 1.00 0.00 H new ATOM 0 HA THR A 70 0.468 -7.155 -2.358 1.00 0.00 H new ATOM 0 HB THR A 70 0.797 -6.288 -0.029 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.434 -5.624 0.225 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.242 -3.932 0.476 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.659 -4.050 -0.595 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.073 -3.600 -1.265 1.00 0.00 H new ATOM 1087 N ALA A 71 0.644 -4.147 -3.664 1.00 0.00 N ATOM 1088 CA ALA A 71 0.011 -3.332 -4.760 1.00 0.00 C ATOM 1089 C ALA A 71 0.160 -4.077 -6.098 1.00 0.00 C ATOM 1090 O ALA A 71 -0.723 -4.028 -6.935 1.00 0.00 O ATOM 1091 CB ALA A 71 0.751 -1.984 -4.814 1.00 0.00 C ATOM 0 H ALA A 71 1.508 -3.767 -3.277 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.051 -3.173 -4.572 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.319 -1.363 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.653 -1.476 -3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.806 -2.156 -5.027 1.00 0.00 H new ATOM 1097 N PHE A 72 1.260 -4.782 -6.307 1.00 0.00 N ATOM 1098 CA PHE A 72 1.425 -5.538 -7.599 1.00 0.00 C ATOM 1099 C PHE A 72 0.347 -6.626 -7.674 1.00 0.00 C ATOM 1100 O PHE A 72 -0.354 -6.741 -8.661 1.00 0.00 O ATOM 1101 CB PHE A 72 2.821 -6.185 -7.565 1.00 0.00 C ATOM 1102 CG PHE A 72 3.858 -5.216 -8.086 1.00 0.00 C ATOM 1103 CD1 PHE A 72 3.974 -3.936 -7.528 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.712 -5.605 -9.125 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.942 -3.049 -8.009 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.680 -4.716 -9.604 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.795 -3.439 -9.044 1.00 0.00 C ATOM 0 H PHE A 72 2.036 -4.864 -5.650 1.00 0.00 H new ATOM 0 HA PHE A 72 1.326 -4.884 -8.465 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.068 -6.480 -6.545 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.824 -7.092 -8.169 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.316 -3.635 -6.727 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.623 -6.591 -9.557 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.030 -2.062 -7.580 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.339 -5.015 -10.406 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.544 -2.754 -9.412 1.00 0.00 H new ATOM 1117 N PHE A 73 0.196 -7.418 -6.627 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.865 -8.487 -6.651 1.00 0.00 C ATOM 1119 C PHE A 73 -2.244 -7.832 -6.826 1.00 0.00 C ATOM 1120 O PHE A 73 -3.084 -8.337 -7.547 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.792 -9.218 -5.300 1.00 0.00 C ATOM 1122 CG PHE A 73 0.198 -10.354 -5.397 1.00 0.00 C ATOM 1123 CD1 PHE A 73 -0.143 -11.523 -6.088 1.00 0.00 C ATOM 1124 CD2 PHE A 73 1.458 -10.238 -4.797 1.00 0.00 C ATOM 1125 CE1 PHE A 73 0.776 -12.576 -6.179 1.00 0.00 C ATOM 1126 CE2 PHE A 73 2.377 -11.289 -4.888 1.00 0.00 C ATOM 1127 CZ PHE A 73 2.036 -12.458 -5.579 1.00 0.00 C ATOM 0 H PHE A 73 0.751 -7.371 -5.773 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.711 -9.184 -7.475 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.491 -8.525 -4.515 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.776 -9.601 -5.027 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.115 -11.613 -6.551 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.721 -9.336 -4.264 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.513 -13.478 -6.711 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.349 -11.199 -4.426 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.745 -13.269 -5.649 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.483 -6.702 -6.182 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.820 -6.024 -6.341 1.00 0.00 C ATOM 1139 C ALA A 74 -4.063 -5.691 -7.820 1.00 0.00 C ATOM 1140 O ALA A 74 -5.167 -5.832 -8.313 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.768 -4.732 -5.509 1.00 0.00 C ATOM 0 H ALA A 74 -1.823 -6.229 -5.565 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.631 -6.670 -6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.719 -4.206 -5.594 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.583 -4.980 -4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.965 -4.094 -5.878 1.00 0.00 H new ATOM 1147 N LEU A 75 -3.043 -5.256 -8.539 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.250 -4.927 -9.999 1.00 0.00 C ATOM 1149 C LEU A 75 -3.791 -6.158 -10.741 1.00 0.00 C ATOM 1150 O LEU A 75 -4.670 -6.042 -11.576 1.00 0.00 O ATOM 1151 CB LEU A 75 -1.876 -4.525 -10.577 1.00 0.00 C ATOM 1152 CG LEU A 75 -1.736 -2.995 -10.620 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -2.847 -2.387 -11.485 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -1.823 -2.429 -9.199 1.00 0.00 C ATOM 0 H LEU A 75 -2.095 -5.117 -8.188 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.970 -4.117 -10.115 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.080 -4.952 -9.967 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.763 -4.935 -11.581 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.769 -2.741 -11.054 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.738 -1.303 -11.508 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.775 -2.781 -12.499 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.819 -2.645 -11.063 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.723 -1.344 -9.233 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.786 -2.692 -8.761 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.022 -2.848 -8.591 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.289 -7.336 -10.437 1.00 0.00 N ATOM 1167 CA GLU A 76 -3.807 -8.566 -11.133 1.00 0.00 C ATOM 1168 C GLU A 76 -5.238 -8.855 -10.660 1.00 0.00 C ATOM 1169 O GLU A 76 -6.094 -9.207 -11.450 1.00 0.00 O ATOM 1170 CB GLU A 76 -2.871 -9.724 -10.752 1.00 0.00 C ATOM 1171 CG GLU A 76 -3.177 -10.939 -11.630 1.00 0.00 C ATOM 1172 CD GLU A 76 -2.307 -12.118 -11.192 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -1.099 -11.954 -11.152 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -2.863 -13.165 -10.905 1.00 0.00 O ATOM 0 H GLU A 76 -2.555 -7.499 -9.748 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.829 -8.434 -12.215 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.831 -9.422 -10.880 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.001 -9.980 -9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.232 -11.202 -11.550 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.986 -10.702 -12.677 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.512 -8.695 -9.382 1.00 0.00 N ATOM 1182 CA ALA A 77 -6.908 -8.952 -8.883 1.00 0.00 C ATOM 1183 C ALA A 77 -7.865 -7.900 -9.460 1.00 0.00 C ATOM 1184 O ALA A 77 -8.984 -8.213 -9.822 1.00 0.00 O ATOM 1185 CB ALA A 77 -6.862 -8.849 -7.349 1.00 0.00 C ATOM 0 H ALA A 77 -4.841 -8.402 -8.672 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.264 -9.935 -9.191 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.857 -9.029 -6.942 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.169 -9.592 -6.955 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.527 -7.852 -7.061 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.437 -6.656 -9.559 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.348 -5.604 -10.135 1.00 0.00 C ATOM 1193 C LEU A 78 -8.657 -5.936 -11.603 1.00 0.00 C ATOM 1194 O LEU A 78 -9.774 -5.771 -12.054 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.600 -4.265 -10.039 1.00 0.00 C ATOM 1196 CG LEU A 78 -7.421 -3.884 -8.570 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -6.360 -2.790 -8.452 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -8.749 -3.367 -8.014 1.00 0.00 C ATOM 0 H LEU A 78 -6.515 -6.328 -9.272 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.293 -5.558 -9.593 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.628 -4.344 -10.526 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.157 -3.487 -10.562 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.104 -4.760 -8.003 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.232 -2.518 -7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.414 -3.157 -8.850 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.676 -1.914 -9.018 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.623 -3.095 -6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.065 -2.491 -8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.507 -4.146 -8.098 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.679 -6.410 -12.353 1.00 0.00 N ATOM 1211 CA GLN A 79 -7.948 -6.752 -13.797 1.00 0.00 C ATOM 1212 C GLN A 79 -9.069 -7.803 -13.908 1.00 0.00 C ATOM 1213 O GLN A 79 -9.804 -7.817 -14.878 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.638 -7.318 -14.371 1.00 0.00 C ATOM 1215 CG GLN A 79 -5.784 -6.173 -14.919 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.299 -6.521 -14.761 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -3.879 -7.601 -15.128 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -3.476 -5.651 -14.228 1.00 0.00 N ATOM 0 H GLN A 79 -6.723 -6.572 -12.035 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.273 -5.868 -14.347 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.091 -7.855 -13.596 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.855 -8.035 -15.163 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.018 -6.001 -15.970 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.011 -5.249 -14.387 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.824 -4.743 -13.919 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.488 -5.882 -14.123 1.00 0.00 H new ATOM 1227 N GLN A 80 -9.212 -8.684 -12.933 1.00 0.00 N ATOM 1228 CA GLN A 80 -10.299 -9.719 -13.021 1.00 0.00 C ATOM 1229 C GLN A 80 -11.579 -9.211 -12.343 1.00 0.00 C ATOM 1230 O GLN A 80 -12.671 -9.434 -12.836 1.00 0.00 O ATOM 1231 CB GLN A 80 -9.766 -10.964 -12.298 1.00 0.00 C ATOM 1232 CG GLN A 80 -10.323 -12.222 -12.969 1.00 0.00 C ATOM 1233 CD GLN A 80 -9.398 -13.410 -12.679 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -8.367 -13.553 -13.306 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -9.719 -14.278 -11.751 1.00 0.00 N ATOM 0 H GLN A 80 -8.632 -8.729 -12.095 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.551 -9.941 -14.058 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.676 -10.976 -12.327 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.057 -10.940 -11.248 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -11.327 -12.430 -12.598 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.406 -12.067 -14.045 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.583 -14.163 -11.222 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.105 -15.069 -11.558 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.463 -8.529 -11.224 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.683 -8.013 -10.534 1.00 0.00 C ATOM 1246 C GLY A 81 -12.581 -8.272 -9.024 1.00 0.00 C ATOM 1247 O GLY A 81 -13.163 -9.212 -8.515 1.00 0.00 O ATOM 0 H GLY A 81 -10.579 -8.311 -10.764 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.793 -6.945 -10.722 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.572 -8.500 -10.936 1.00 0.00 H new ATOM 1251 N GLU A 82 -11.854 -7.446 -8.299 1.00 0.00 N ATOM 1252 CA GLU A 82 -11.730 -7.653 -6.824 1.00 0.00 C ATOM 1253 C GLU A 82 -12.359 -6.468 -6.074 1.00 0.00 C ATOM 1254 O GLU A 82 -12.648 -5.445 -6.667 1.00 0.00 O ATOM 1255 CB GLU A 82 -10.225 -7.722 -6.555 1.00 0.00 C ATOM 1256 CG GLU A 82 -9.940 -8.800 -5.508 1.00 0.00 C ATOM 1257 CD GLU A 82 -9.850 -10.166 -6.190 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -10.721 -10.463 -6.991 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -8.914 -10.891 -5.901 1.00 0.00 O ATOM 0 H GLU A 82 -11.345 -6.643 -8.668 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.242 -8.554 -6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.690 -7.947 -7.478 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.863 -6.755 -6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.007 -8.579 -4.989 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.729 -8.809 -4.756 1.00 0.00 H new ATOM 1266 N SER A 83 -12.576 -6.589 -4.778 1.00 0.00 N ATOM 1267 CA SER A 83 -13.186 -5.455 -4.016 1.00 0.00 C ATOM 1268 C SER A 83 -12.169 -4.862 -3.030 1.00 0.00 C ATOM 1269 O SER A 83 -11.478 -5.585 -2.337 1.00 0.00 O ATOM 1270 CB SER A 83 -14.367 -6.057 -3.257 1.00 0.00 C ATOM 1271 OG SER A 83 -15.398 -6.389 -4.177 1.00 0.00 O ATOM 0 H SER A 83 -12.358 -7.418 -4.225 1.00 0.00 H new ATOM 0 HA SER A 83 -13.499 -4.648 -4.679 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.049 -6.947 -2.713 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.738 -5.347 -2.518 1.00 0.00 H new ATOM 0 HG SER A 83 -16.156 -6.777 -3.692 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.076 -3.551 -2.957 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.100 -2.921 -2.004 1.00 0.00 C ATOM 1279 C ALA A 84 -11.806 -2.451 -0.712 1.00 0.00 C ATOM 1280 O ALA A 84 -11.212 -2.463 0.350 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.498 -1.725 -2.754 1.00 0.00 C ATOM 0 H ALA A 84 -12.628 -2.896 -3.510 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.334 -3.633 -1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.776 -1.220 -2.113 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.999 -2.076 -3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.292 -1.029 -3.025 1.00 0.00 H new ATOM 1287 N GLU A 85 -13.057 -2.031 -0.783 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.761 -1.558 0.468 1.00 0.00 C ATOM 1289 C GLU A 85 -13.769 -2.663 1.535 1.00 0.00 C ATOM 1290 O GLU A 85 -13.627 -2.388 2.712 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.201 -1.207 0.062 1.00 0.00 C ATOM 1292 CG GLU A 85 -15.196 0.058 -0.799 1.00 0.00 C ATOM 1293 CD GLU A 85 -14.986 1.283 0.093 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -15.564 1.314 1.166 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -14.252 2.168 -0.314 1.00 0.00 O ATOM 0 H GLU A 85 -13.614 -1.995 -1.637 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.250 -0.695 0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.646 -2.034 -0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.813 -1.052 0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.404 -0.001 -1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.138 0.146 -1.340 1.00 0.00 H new ATOM 1302 N ASN A 86 -13.935 -3.910 1.143 1.00 0.00 N ATOM 1303 CA ASN A 86 -13.951 -5.022 2.166 1.00 0.00 C ATOM 1304 C ASN A 86 -12.645 -5.017 2.977 1.00 0.00 C ATOM 1305 O ASN A 86 -12.658 -5.264 4.169 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.085 -6.342 1.387 1.00 0.00 C ATOM 1307 CG ASN A 86 -15.417 -6.363 0.622 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.085 -5.351 0.512 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -15.841 -7.479 0.081 1.00 0.00 N ATOM 0 H ASN A 86 -14.059 -4.206 0.175 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.777 -4.895 2.866 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.254 -6.450 0.690 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.037 -7.187 2.074 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.725 -7.495 -0.428 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.287 -8.331 0.169 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.520 -4.729 2.352 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.230 -4.705 3.129 1.00 0.00 C ATOM 1318 C ILE A 87 -10.271 -3.561 4.162 1.00 0.00 C ATOM 1319 O ILE A 87 -9.767 -3.704 5.261 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.096 -4.483 2.107 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.041 -5.670 1.141 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.753 -4.372 2.834 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -8.308 -5.254 -0.135 1.00 0.00 C ATOM 0 H ILE A 87 -11.439 -4.514 1.358 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.072 -5.636 3.673 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.289 -3.562 1.556 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.529 -6.511 1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.050 -6.005 0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -6.957 -4.215 2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.782 -3.531 3.526 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.562 -5.291 3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.268 -6.098 -0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.838 -4.426 -0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.294 -4.940 0.114 1.00 0.00 H new ATOM 1335 N VAL A 88 -10.869 -2.430 3.829 1.00 0.00 N ATOM 1336 CA VAL A 88 -10.927 -1.298 4.826 1.00 0.00 C ATOM 1337 C VAL A 88 -11.659 -1.754 6.099 1.00 0.00 C ATOM 1338 O VAL A 88 -11.282 -1.380 7.194 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.687 -0.139 4.155 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.786 1.046 5.120 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.932 0.301 2.900 1.00 0.00 C ATOM 0 H VAL A 88 -11.311 -2.244 2.929 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.925 -0.982 5.115 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.689 -0.475 3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.325 1.863 4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.320 0.739 6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.784 1.381 5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.467 1.122 2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.931 0.632 3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.859 -0.537 2.207 1.00 0.00 H new ATOM 1351 N SER A 89 -12.696 -2.562 5.974 1.00 0.00 N ATOM 1352 CA SER A 89 -13.427 -3.030 7.212 1.00 0.00 C ATOM 1353 C SER A 89 -12.435 -3.717 8.162 1.00 0.00 C ATOM 1354 O SER A 89 -12.466 -3.496 9.358 1.00 0.00 O ATOM 1355 CB SER A 89 -14.498 -4.029 6.748 1.00 0.00 C ATOM 1356 OG SER A 89 -15.348 -4.348 7.841 1.00 0.00 O ATOM 0 H SER A 89 -13.063 -2.912 5.089 1.00 0.00 H new ATOM 0 HA SER A 89 -13.885 -2.196 7.744 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.081 -3.602 5.932 1.00 0.00 H new ATOM 0 HB3 SER A 89 -14.026 -4.933 6.364 1.00 0.00 H new ATOM 0 HG SER A 89 -16.033 -4.984 7.548 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.537 -4.527 7.636 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.528 -5.192 8.533 1.00 0.00 C ATOM 1364 C LYS A 90 -9.524 -4.146 9.041 1.00 0.00 C ATOM 1365 O LYS A 90 -9.076 -4.219 10.171 1.00 0.00 O ATOM 1366 CB LYS A 90 -9.811 -6.258 7.686 1.00 0.00 C ATOM 1367 CG LYS A 90 -10.800 -7.365 7.317 1.00 0.00 C ATOM 1368 CD LYS A 90 -10.897 -8.368 8.468 1.00 0.00 C ATOM 1369 CE LYS A 90 -12.065 -9.324 8.215 1.00 0.00 C ATOM 1370 NZ LYS A 90 -11.697 -10.578 8.930 1.00 0.00 N ATOM 0 H LYS A 90 -11.459 -4.753 6.644 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.005 -5.649 9.400 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.401 -5.805 6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.972 -6.676 8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.781 -6.937 7.110 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.474 -7.870 6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.966 -8.929 8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.042 -7.842 9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.001 -8.913 8.594 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.205 -9.504 7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.450 -11.284 8.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.806 -10.949 8.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.577 -10.377 9.943 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.177 -3.162 8.231 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.213 -2.114 8.714 1.00 0.00 C ATOM 1386 C ILE A 91 -8.911 -1.219 9.746 1.00 0.00 C ATOM 1387 O ILE A 91 -8.319 -0.843 10.740 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.783 -1.290 7.482 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -7.111 -2.201 6.441 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.793 -0.202 7.910 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -5.916 -2.933 7.066 1.00 0.00 C ATOM 0 H ILE A 91 -9.513 -3.042 7.276 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.341 -2.562 9.190 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.668 -0.832 7.041 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.832 -2.925 6.062 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.778 -1.608 5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.491 0.378 7.038 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.268 0.456 8.637 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.915 -0.666 8.359 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.450 -3.574 6.318 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.189 -2.204 7.423 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.259 -3.542 7.902 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.166 -0.879 9.527 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.882 -0.009 10.527 1.00 0.00 C ATOM 1405 C ARG A 92 -10.952 -0.719 11.885 1.00 0.00 C ATOM 1406 O ARG A 92 -10.822 -0.089 12.918 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.296 0.236 9.977 1.00 0.00 C ATOM 1408 CG ARG A 92 -13.009 1.274 10.847 1.00 0.00 C ATOM 1409 CD ARG A 92 -14.212 1.837 10.089 1.00 0.00 C ATOM 1410 NE ARG A 92 -15.194 0.718 10.044 1.00 0.00 N ATOM 1411 CZ ARG A 92 -16.392 0.881 10.535 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -16.543 1.226 11.785 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -17.438 0.699 9.777 1.00 0.00 N ATOM 0 H ARG A 92 -10.717 -1.160 8.716 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.357 0.935 10.673 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.241 0.586 8.946 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.861 -0.696 9.968 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -13.336 0.818 11.781 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.322 2.079 11.108 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.627 2.707 10.597 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.932 2.158 9.086 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.930 -0.176 9.629 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.725 1.368 12.377 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -17.479 1.354 12.169 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -17.319 0.429 8.800 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -18.374 0.826 10.161 1.00 0.00 H new ATOM 1427 N MET A 93 -11.144 -2.024 11.901 1.00 0.00 N ATOM 1428 CA MET A 93 -11.201 -2.743 13.223 1.00 0.00 C ATOM 1429 C MET A 93 -9.793 -2.820 13.826 1.00 0.00 C ATOM 1430 O MET A 93 -9.619 -2.647 15.018 1.00 0.00 O ATOM 1431 CB MET A 93 -11.748 -4.152 12.944 1.00 0.00 C ATOM 1432 CG MET A 93 -12.658 -4.584 14.094 1.00 0.00 C ATOM 1433 SD MET A 93 -12.896 -6.377 14.035 1.00 0.00 S ATOM 1434 CE MET A 93 -11.948 -6.780 15.524 1.00 0.00 C ATOM 0 H MET A 93 -11.261 -2.611 11.075 1.00 0.00 H new ATOM 0 HA MET A 93 -11.841 -2.221 13.934 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.302 -4.159 12.006 1.00 0.00 H new ATOM 0 HB3 MET A 93 -10.925 -4.858 12.833 1.00 0.00 H new ATOM 0 HG2 MET A 93 -12.217 -4.296 15.048 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.620 -4.076 14.021 1.00 0.00 H new ATOM 0 HE1 MET A 93 -11.961 -7.858 15.683 1.00 0.00 H new ATOM 0 HE2 MET A 93 -10.918 -6.444 15.402 1.00 0.00 H new ATOM 0 HE3 MET A 93 -12.393 -6.281 16.385 1.00 0.00 H new ATOM 1444 N MET A 94 -8.783 -3.059 13.014 1.00 0.00 N ATOM 1445 CA MET A 94 -7.386 -3.119 13.569 1.00 0.00 C ATOM 1446 C MET A 94 -6.904 -1.701 13.905 1.00 0.00 C ATOM 1447 O MET A 94 -6.239 -1.496 14.903 1.00 0.00 O ATOM 1448 CB MET A 94 -6.499 -3.746 12.481 1.00 0.00 C ATOM 1449 CG MET A 94 -5.430 -4.622 13.136 1.00 0.00 C ATOM 1450 SD MET A 94 -6.212 -6.076 13.877 1.00 0.00 S ATOM 1451 CE MET A 94 -5.146 -7.322 13.113 1.00 0.00 C ATOM 0 H MET A 94 -8.862 -3.213 12.009 1.00 0.00 H new ATOM 0 HA MET A 94 -7.346 -3.711 14.483 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.107 -4.343 11.801 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.028 -2.964 11.885 1.00 0.00 H new ATOM 0 HG2 MET A 94 -4.693 -4.930 12.395 1.00 0.00 H new ATOM 0 HG3 MET A 94 -4.897 -4.054 13.899 1.00 0.00 H new ATOM 0 HE1 MET A 94 -5.456 -8.315 13.438 1.00 0.00 H new ATOM 0 HE2 MET A 94 -5.227 -7.254 12.028 1.00 0.00 H new ATOM 0 HE3 MET A 94 -4.112 -7.149 13.411 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.249 -0.716 13.099 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.811 0.687 13.419 1.00 0.00 C ATOM 1463 C ASN A 95 -7.619 1.223 14.611 1.00 0.00 C ATOM 1464 O ASN A 95 -7.097 1.955 15.431 1.00 0.00 O ATOM 1465 CB ASN A 95 -7.069 1.539 12.165 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.849 1.468 11.236 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.648 0.404 10.496 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -5.066 2.395 11.182 1.00 0.00 N flip ATOM 0 H ASN A 95 -7.804 -0.820 12.250 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.756 0.719 13.690 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.957 1.179 11.645 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.263 2.573 12.449 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.218 3.225 11.755 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.257 2.344 10.563 1.00 0.00 H new