USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 828 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: B 21 ASN : amide:sc= -1.36 K(o=-6.6,f=-4.5) USER MOD Set 1.2: B 52 ASN : amide:sc= -5.2! C(o=-6.6!,f=-12!) USER MOD Set 2.1: B 26 GLN : amide:sc= -8.78! K(o=-16!,f=-1.6) USER MOD Set 2.2: B 55 GLN : amide:sc= -6.86! K(o=-16!,f=-1.6) USER MOD Set 3.1: B 23 ASN : amide:sc= -8.9! C(o=-9.6!,f=-19!) USER MOD Set 3.2: B 24 SER OG : rot -170:sc= -0.678 USER MOD Set 4.1: A 21 ASN : amide:sc= -0.672 K(o=-7.2,f=-9.4) USER MOD Set 4.2: A 52 ASN : amide:sc= -6.56! C(o=-7.2!,f=-16!) USER MOD Set 5.1: A 40 GLN : amide:sc= -0.175 X(o=-0.27,f=-0.096) USER MOD Set 5.2: A 43 ASN : amide:sc= -0.0953 K(o=-0.27,f=-1.2) USER MOD Set 6.1: A 23 ASN : amide:sc= -4.05! C(o=-19!,f=-17!) USER MOD Set 6.2: A 26 GLN : amide:sc= -5.83! K(o=-19!,f=-8.4) USER MOD Set 6.3: A 55 GLN : amide:sc= -8.69! C(o=-19!,f=-8.4!) USER MOD Set 7.1: A 13 THR OG1 : rot 110:sc= -2.15 USER MOD Set 7.2: B 17 MET CE :methyl -128:sc= -11.5! (180deg=-11.8!) USER MOD Single : A 4 LYS NZ :NH3+ 160:sc=-0.00837 (180deg=-0.234) USER MOD Single : A 6 ASN : amide:sc= -3.73 K(o=-3.7,f=-11!) USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= -0.505 (180deg=-0.992) USER MOD Single : A 18 ASN : amide:sc= -4.11 K(o=-4.1,f=-2.2) USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= -0.217 (180deg=-0.978) USER MOD Single : A 33 SER OG : rot 72:sc= 1.09 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -92:sc= 0.671 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= 0.566 (180deg=0.326) USER MOD Single : B 6 ASN : amide:sc= -5.78! C(o=-5.8!,f=-3!) USER MOD Single : B 7 LYS NZ :NH3+ -128:sc= -0.57 (180deg=-3.58!) USER MOD Single : B 32 ASN : amide:sc= -0.0244 K(o=-0.024,f=-1.2) USER MOD Single : B 33 SER OG : rot 91:sc= 0.11 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -2.84 K(o=-2.8,f=0) USER MOD Single : B 41 SER OG : rot 120:sc= -3.65! USER MOD Single : B 43 ASN : amide:sc= -0.731 K(o=-0.73,f=-0.044) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ 166:sc= -0.0303 (180deg=-0.406) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 6.209 -10.874 6.899 1.00 0.00 N ATOM 46 CA LYS A 4 5.562 -10.004 7.881 1.00 0.00 C ATOM 47 C LYS A 4 5.798 -8.535 7.532 1.00 0.00 C ATOM 48 O LYS A 4 4.872 -7.729 7.570 1.00 0.00 O ATOM 49 CB LYS A 4 6.079 -10.321 9.296 1.00 0.00 C ATOM 50 CG LYS A 4 7.615 -10.279 9.343 1.00 0.00 C ATOM 51 CD LYS A 4 8.093 -10.720 10.735 1.00 0.00 C ATOM 52 CE LYS A 4 8.131 -12.253 10.825 1.00 0.00 C ATOM 53 NZ LYS A 4 9.293 -12.773 10.048 1.00 0.00 N ATOM 0 HA LYS A 4 4.488 -10.189 7.859 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.670 -9.602 10.006 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.729 -11.307 9.603 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.032 -10.935 8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.969 -9.271 9.127 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.085 -10.313 10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.426 -10.320 11.499 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.209 -12.564 11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.204 -12.673 10.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.523 -13.735 10.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.052 -12.795 9.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.115 -12.153 10.195 1.00 0.00 H new ATOM 67 N PHE A 5 7.039 -8.206 7.170 1.00 0.00 N ATOM 68 CA PHE A 5 7.391 -6.846 6.792 1.00 0.00 C ATOM 69 C PHE A 5 6.582 -6.430 5.565 1.00 0.00 C ATOM 70 O PHE A 5 6.126 -5.300 5.477 1.00 0.00 O ATOM 71 CB PHE A 5 8.902 -6.743 6.508 1.00 0.00 C ATOM 72 CG PHE A 5 9.218 -7.271 5.120 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.314 -8.652 4.897 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.403 -6.376 4.056 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.594 -9.135 3.614 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.684 -6.861 2.775 1.00 0.00 C ATOM 77 CZ PHE A 5 9.780 -8.239 2.553 1.00 0.00 C ATOM 0 H PHE A 5 7.815 -8.867 7.132 1.00 0.00 H new ATOM 0 HA PHE A 5 7.155 -6.172 7.615 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.224 -5.705 6.591 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.458 -7.310 7.255 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.172 -9.343 5.715 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.328 -5.312 4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.667 -10.199 3.441 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.827 -6.171 1.956 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.998 -8.612 1.563 1.00 0.00 H new ATOM 87 N ASN A 6 6.411 -7.371 4.626 1.00 0.00 N ATOM 88 CA ASN A 6 5.648 -7.116 3.413 1.00 0.00 C ATOM 89 C ASN A 6 4.185 -6.890 3.758 1.00 0.00 C ATOM 90 O ASN A 6 3.553 -5.962 3.260 1.00 0.00 O ATOM 91 CB ASN A 6 5.763 -8.320 2.484 1.00 0.00 C ATOM 92 CG ASN A 6 5.114 -8.024 1.141 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.094 -6.883 0.702 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.567 -8.995 0.471 1.00 0.00 N ATOM 0 H ASN A 6 6.794 -8.314 4.691 1.00 0.00 H new ATOM 0 HA ASN A 6 6.043 -6.227 2.921 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.813 -8.575 2.338 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.285 -9.186 2.942 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.118 -8.807 -0.425 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.587 -9.945 0.842 1.00 0.00 H new ATOM 101 N LYS A 7 3.673 -7.740 4.645 1.00 0.00 N ATOM 102 CA LYS A 7 2.300 -7.637 5.099 1.00 0.00 C ATOM 103 C LYS A 7 2.136 -6.295 5.780 1.00 0.00 C ATOM 104 O LYS A 7 1.157 -5.598 5.568 1.00 0.00 O ATOM 105 CB LYS A 7 2.003 -8.798 6.067 1.00 0.00 C ATOM 106 CG LYS A 7 0.616 -8.669 6.722 1.00 0.00 C ATOM 107 CD LYS A 7 -0.479 -9.202 5.790 1.00 0.00 C ATOM 108 CE LYS A 7 -0.551 -10.726 5.860 1.00 0.00 C ATOM 109 NZ LYS A 7 -1.019 -11.147 7.211 1.00 0.00 N ATOM 0 H LYS A 7 4.197 -8.510 5.062 1.00 0.00 H new ATOM 0 HA LYS A 7 1.598 -7.704 4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.061 -9.743 5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.768 -8.827 6.843 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.600 -9.221 7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.418 -7.624 6.962 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.442 -8.774 6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.276 -8.889 4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.231 -11.103 5.096 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.429 -11.156 5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.341 -12.135 7.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.237 -11.062 7.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.806 -10.538 7.511 1.00 0.00 H new ATOM 123 N GLU A 8 3.132 -5.935 6.578 1.00 0.00 N ATOM 124 CA GLU A 8 3.111 -4.662 7.276 1.00 0.00 C ATOM 125 C GLU A 8 3.324 -3.502 6.309 1.00 0.00 C ATOM 126 O GLU A 8 2.674 -2.467 6.419 1.00 0.00 O ATOM 127 CB GLU A 8 4.167 -4.653 8.387 1.00 0.00 C ATOM 128 CG GLU A 8 3.707 -5.542 9.558 1.00 0.00 C ATOM 129 CD GLU A 8 2.335 -5.093 10.075 1.00 0.00 C ATOM 130 OE1 GLU A 8 2.210 -3.940 10.457 1.00 0.00 O ATOM 131 OE2 GLU A 8 1.426 -5.908 10.068 1.00 0.00 O ATOM 0 H GLU A 8 3.959 -6.505 6.756 1.00 0.00 H new ATOM 0 HA GLU A 8 2.129 -4.533 7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.119 -5.014 7.998 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.331 -3.634 8.736 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.656 -6.581 9.234 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.438 -5.495 10.365 1.00 0.00 H new ATOM 138 N LEU A 9 4.199 -3.712 5.338 1.00 0.00 N ATOM 139 CA LEU A 9 4.464 -2.714 4.298 1.00 0.00 C ATOM 140 C LEU A 9 3.166 -2.455 3.563 1.00 0.00 C ATOM 141 O LEU A 9 2.816 -1.313 3.276 1.00 0.00 O ATOM 142 CB LEU A 9 5.543 -3.247 3.340 1.00 0.00 C ATOM 143 CG LEU A 9 5.693 -2.329 2.113 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.502 -1.071 2.435 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.402 -3.084 1.008 1.00 0.00 C ATOM 0 H LEU A 9 4.744 -4.569 5.243 1.00 0.00 H new ATOM 0 HA LEU A 9 4.830 -1.783 4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.496 -3.319 3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.281 -4.254 3.015 1.00 0.00 H new ATOM 0 HG LEU A 9 4.693 -2.026 1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.583 -0.452 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.001 -0.508 3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.499 -1.356 2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.510 -2.438 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.388 -3.395 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.819 -3.964 0.736 1.00 0.00 H new ATOM 157 N GLY A 10 2.434 -3.527 3.304 1.00 0.00 N ATOM 158 CA GLY A 10 1.169 -3.417 2.653 1.00 0.00 C ATOM 159 C GLY A 10 0.137 -2.880 3.620 1.00 0.00 C ATOM 160 O GLY A 10 -0.740 -2.109 3.250 1.00 0.00 O ATOM 0 H GLY A 10 2.709 -4.480 3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.251 -2.756 1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.857 -4.392 2.279 1.00 0.00 H new ATOM 164 N TRP A 11 0.215 -3.320 4.869 1.00 0.00 N ATOM 165 CA TRP A 11 -0.768 -2.878 5.825 1.00 0.00 C ATOM 166 C TRP A 11 -0.647 -1.426 6.182 1.00 0.00 C ATOM 167 O TRP A 11 -1.635 -0.693 6.124 1.00 0.00 O ATOM 168 CB TRP A 11 -0.813 -3.729 7.078 1.00 0.00 C ATOM 169 CG TRP A 11 -2.252 -3.804 7.521 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.643 -3.848 8.801 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.497 -3.806 6.711 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.024 -3.918 8.847 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.593 -3.879 7.593 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.785 -3.759 5.318 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.909 -3.902 7.127 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.090 -3.774 4.850 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.162 -3.842 5.752 1.00 0.00 C ATOM 0 H TRP A 11 0.925 -3.959 5.227 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.717 -3.007 5.305 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.420 -4.726 6.879 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.193 -3.293 7.861 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.987 -3.832 9.659 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.560 -3.990 9.712 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.970 -3.711 4.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.730 -3.966 7.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.282 -3.733 3.788 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.178 -3.848 5.387 1.00 0.00 H new ATOM 188 N ALA A 12 0.543 -1.006 6.551 1.00 0.00 N ATOM 189 CA ALA A 12 0.736 0.372 6.912 1.00 0.00 C ATOM 190 C ALA A 12 0.308 1.254 5.740 1.00 0.00 C ATOM 191 O ALA A 12 -0.327 2.283 5.930 1.00 0.00 O ATOM 192 CB ALA A 12 2.196 0.612 7.283 1.00 0.00 C ATOM 0 H ALA A 12 1.376 -1.591 6.607 1.00 0.00 H new ATOM 0 HA ALA A 12 0.128 0.623 7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.335 1.658 7.555 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.466 -0.022 8.128 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.832 0.371 6.431 1.00 0.00 H new ATOM 198 N THR A 13 0.606 0.790 4.522 1.00 0.00 N ATOM 199 CA THR A 13 0.208 1.493 3.306 1.00 0.00 C ATOM 200 C THR A 13 -1.300 1.707 3.293 1.00 0.00 C ATOM 201 O THR A 13 -1.769 2.809 3.033 1.00 0.00 O ATOM 202 CB THR A 13 0.631 0.632 2.116 1.00 0.00 C ATOM 203 OG1 THR A 13 2.012 0.809 1.899 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.142 1.010 0.856 1.00 0.00 C ATOM 0 H THR A 13 1.124 -0.073 4.356 1.00 0.00 H new ATOM 0 HA THR A 13 0.685 2.472 3.256 1.00 0.00 H new ATOM 0 HB THR A 13 0.412 -0.412 2.340 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.490 -0.009 2.150 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.182 0.380 0.028 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.209 0.865 1.027 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.048 2.055 0.612 1.00 0.00 H new ATOM 212 N TRP A 14 -2.035 0.642 3.596 1.00 0.00 N ATOM 213 CA TRP A 14 -3.497 0.679 3.639 1.00 0.00 C ATOM 214 C TRP A 14 -3.999 1.608 4.726 1.00 0.00 C ATOM 215 O TRP A 14 -4.909 2.396 4.511 1.00 0.00 O ATOM 216 CB TRP A 14 -3.985 -0.716 3.965 1.00 0.00 C ATOM 217 CG TRP A 14 -5.431 -0.899 3.627 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.431 -0.947 4.536 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.057 -1.092 2.326 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.612 -1.224 3.891 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.437 -1.318 2.534 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.578 -1.117 0.999 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.293 -1.572 1.479 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.443 -1.365 -0.050 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.788 -1.600 0.187 1.00 0.00 C ATOM 0 H TRP A 14 -1.637 -0.271 3.819 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.865 1.035 2.677 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.390 -1.446 3.416 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.833 -0.914 5.026 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.319 -0.792 5.599 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.508 -1.345 4.363 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.531 -0.942 0.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.344 -1.747 1.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.068 -1.376 -1.063 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.449 -1.807 -0.642 1.00 0.00 H new ATOM 236 N GLU A 15 -3.406 1.481 5.904 1.00 0.00 N ATOM 237 CA GLU A 15 -3.801 2.289 7.046 1.00 0.00 C ATOM 238 C GLU A 15 -3.584 3.769 6.731 1.00 0.00 C ATOM 239 O GLU A 15 -4.424 4.610 7.054 1.00 0.00 O ATOM 240 CB GLU A 15 -2.999 1.831 8.266 1.00 0.00 C ATOM 241 CG GLU A 15 -3.381 0.374 8.598 1.00 0.00 C ATOM 242 CD GLU A 15 -2.421 -0.206 9.634 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.657 -0.001 10.814 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.467 -0.854 9.232 1.00 0.00 O ATOM 0 H GLU A 15 -2.648 0.825 6.093 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.861 2.161 7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.930 1.904 8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.206 2.478 9.118 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.402 0.337 8.978 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.356 -0.231 7.691 1.00 0.00 H new ATOM 251 N ILE A 16 -2.485 4.059 6.032 1.00 0.00 N ATOM 252 CA ILE A 16 -2.183 5.423 5.593 1.00 0.00 C ATOM 253 C ILE A 16 -3.188 5.812 4.502 1.00 0.00 C ATOM 254 O ILE A 16 -3.641 6.955 4.419 1.00 0.00 O ATOM 255 CB ILE A 16 -0.740 5.469 5.031 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.262 5.146 6.148 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.414 6.857 4.458 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.664 4.902 5.564 1.00 0.00 C ATOM 0 H ILE A 16 -1.788 3.366 5.757 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.258 6.121 6.427 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.666 4.731 4.232 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.298 5.969 6.861 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.068 4.264 6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.605 6.861 4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.110 7.090 3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.506 7.606 5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.360 4.675 6.371 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.628 4.063 4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.999 5.795 5.037 1.00 0.00 H new ATOM 270 N PHE A 17 -3.530 4.816 3.683 1.00 0.00 N ATOM 271 CA PHE A 17 -4.486 4.968 2.583 1.00 0.00 C ATOM 272 C PHE A 17 -5.885 5.259 3.131 1.00 0.00 C ATOM 273 O PHE A 17 -6.644 6.042 2.558 1.00 0.00 O ATOM 274 CB PHE A 17 -4.524 3.644 1.798 1.00 0.00 C ATOM 275 CG PHE A 17 -4.714 3.862 0.317 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.608 4.132 -0.503 1.00 0.00 C ATOM 277 CD2 PHE A 17 -5.988 3.744 -0.247 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.781 4.285 -1.876 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.158 3.892 -1.623 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.057 4.161 -2.436 1.00 0.00 C ATOM 0 H PHE A 17 -3.149 3.873 3.764 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.180 5.795 1.943 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.596 3.097 1.967 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.334 3.022 2.178 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.623 4.221 -0.069 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.841 3.538 0.383 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.932 4.499 -2.508 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.142 3.798 -2.059 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.190 4.274 -3.502 1.00 0.00 H new ATOM 290 N ASN A 18 -6.215 4.579 4.231 1.00 0.00 N ATOM 291 CA ASN A 18 -7.525 4.696 4.871 1.00 0.00 C ATOM 292 C ASN A 18 -7.575 5.812 5.922 1.00 0.00 C ATOM 293 O ASN A 18 -8.590 5.951 6.611 1.00 0.00 O ATOM 294 CB ASN A 18 -7.885 3.356 5.539 1.00 0.00 C ATOM 295 CG ASN A 18 -8.179 2.279 4.490 1.00 0.00 C ATOM 296 OD1 ASN A 18 -9.237 1.652 4.526 1.00 0.00 O ATOM 297 ND2 ASN A 18 -7.304 2.018 3.560 1.00 0.00 N ATOM 0 H ASN A 18 -5.582 3.933 4.702 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.244 4.950 4.092 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.063 3.032 6.177 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.755 3.489 6.182 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.498 1.296 2.866 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.426 2.535 3.526 1.00 0.00 H new ATOM 304 N LEU A 19 -6.510 6.615 6.057 1.00 0.00 N ATOM 305 CA LEU A 19 -6.532 7.692 7.045 1.00 0.00 C ATOM 306 C LEU A 19 -7.530 8.765 6.603 1.00 0.00 C ATOM 307 O LEU A 19 -7.589 9.101 5.419 1.00 0.00 O ATOM 308 CB LEU A 19 -5.144 8.307 7.240 1.00 0.00 C ATOM 309 CG LEU A 19 -4.445 7.668 8.455 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.063 8.260 8.585 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.203 7.962 9.751 1.00 0.00 C ATOM 0 H LEU A 19 -5.651 6.541 5.512 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.841 7.273 8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.542 8.156 6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.232 9.383 7.387 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.409 6.590 8.299 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.556 7.816 9.442 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.492 8.054 7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.141 9.338 8.728 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.684 7.497 10.589 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.252 9.040 9.907 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.213 7.559 9.681 1.00 0.00 H new ATOM 323 N PRO A 20 -8.339 9.275 7.506 1.00 0.00 N ATOM 324 CA PRO A 20 -9.383 10.286 7.179 1.00 0.00 C ATOM 325 C PRO A 20 -8.897 11.733 6.991 1.00 0.00 C ATOM 326 O PRO A 20 -9.747 12.623 6.904 1.00 0.00 O ATOM 327 CB PRO A 20 -10.357 10.205 8.374 1.00 0.00 C ATOM 328 CG PRO A 20 -9.836 9.149 9.292 1.00 0.00 C ATOM 329 CD PRO A 20 -8.374 8.964 8.942 1.00 0.00 C ATOM 0 HA PRO A 20 -9.814 10.052 6.206 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.419 11.165 8.887 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.363 9.959 8.035 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.951 9.448 10.334 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.387 8.217 9.165 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.733 9.633 9.516 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.036 7.948 9.144 1.00 0.00 H new ATOM 337 N ASN A 21 -7.576 12.011 6.927 1.00 0.00 N ATOM 338 CA ASN A 21 -7.170 13.430 6.754 1.00 0.00 C ATOM 339 C ASN A 21 -5.895 13.627 5.933 1.00 0.00 C ATOM 340 O ASN A 21 -5.454 14.765 5.757 1.00 0.00 O ATOM 341 CB ASN A 21 -7.001 14.113 8.119 1.00 0.00 C ATOM 342 CG ASN A 21 -8.337 14.192 8.855 1.00 0.00 C ATOM 343 OD1 ASN A 21 -9.208 14.976 8.479 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.552 13.426 9.887 1.00 0.00 N ATOM 0 H ASN A 21 -6.819 11.330 6.987 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.980 13.891 6.188 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.281 13.559 8.721 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.597 15.116 7.981 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.442 13.476 10.383 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.830 12.776 10.199 1.00 0.00 H new ATOM 351 N LEU A 22 -5.304 12.552 5.427 1.00 0.00 N ATOM 352 CA LEU A 22 -4.082 12.690 4.629 1.00 0.00 C ATOM 353 C LEU A 22 -4.388 13.094 3.198 1.00 0.00 C ATOM 354 O LEU A 22 -5.435 12.743 2.652 1.00 0.00 O ATOM 355 CB LEU A 22 -3.300 11.385 4.635 1.00 0.00 C ATOM 356 CG LEU A 22 -2.907 11.047 6.070 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.148 9.737 6.086 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.008 12.139 6.643 1.00 0.00 C ATOM 0 H LEU A 22 -5.637 11.595 5.548 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.482 13.479 5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.904 10.583 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.410 11.477 4.013 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.812 10.969 6.673 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.866 9.493 7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.781 8.945 5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.251 9.829 5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.735 11.885 7.667 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.106 12.223 6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.540 13.090 6.634 1.00 0.00 H new ATOM 370 N ASN A 23 -3.449 13.828 2.594 1.00 0.00 N ATOM 371 CA ASN A 23 -3.605 14.274 1.217 1.00 0.00 C ATOM 372 C ASN A 23 -2.952 13.253 0.286 1.00 0.00 C ATOM 373 O ASN A 23 -2.089 12.484 0.714 1.00 0.00 O ATOM 374 CB ASN A 23 -3.005 15.687 1.048 1.00 0.00 C ATOM 375 CG ASN A 23 -1.566 15.638 0.540 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.343 15.457 -0.647 1.00 0.00 O ATOM 377 ND2 ASN A 23 -0.574 15.802 1.365 1.00 0.00 N ATOM 0 H ASN A 23 -2.579 14.122 3.039 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.661 14.342 0.957 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.617 16.260 0.351 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.035 16.211 2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.386 15.779 1.020 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.756 15.953 2.357 1.00 0.00 H new ATOM 384 N GLY A 24 -3.384 13.236 -0.975 1.00 0.00 N ATOM 385 CA GLY A 24 -2.856 12.284 -1.955 1.00 0.00 C ATOM 386 C GLY A 24 -1.330 12.208 -1.923 1.00 0.00 C ATOM 387 O GLY A 24 -0.762 11.119 -1.943 1.00 0.00 O ATOM 0 H GLY A 24 -4.096 13.868 -1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.271 11.296 -1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.183 12.575 -2.954 1.00 0.00 H new ATOM 391 N VAL A 25 -0.678 13.367 -1.860 1.00 0.00 N ATOM 392 CA VAL A 25 0.782 13.423 -1.821 1.00 0.00 C ATOM 393 C VAL A 25 1.323 12.842 -0.528 1.00 0.00 C ATOM 394 O VAL A 25 2.277 12.071 -0.564 1.00 0.00 O ATOM 395 CB VAL A 25 1.270 14.865 -1.977 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.803 14.904 -1.921 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.790 15.399 -3.324 1.00 0.00 C ATOM 0 H VAL A 25 -1.136 14.278 -1.835 1.00 0.00 H new ATOM 0 HA VAL A 25 1.154 12.824 -2.653 1.00 0.00 H new ATOM 0 HB VAL A 25 0.873 15.480 -1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.145 15.933 -2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.142 14.511 -0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.212 14.296 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.130 16.427 -3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.196 14.782 -4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.299 15.370 -3.360 1.00 0.00 H new ATOM 407 N GLN A 26 0.729 13.205 0.614 1.00 0.00 N ATOM 408 CA GLN A 26 1.216 12.674 1.879 1.00 0.00 C ATOM 409 C GLN A 26 1.071 11.161 1.903 1.00 0.00 C ATOM 410 O GLN A 26 2.003 10.458 2.282 1.00 0.00 O ATOM 411 CB GLN A 26 0.481 13.316 3.055 1.00 0.00 C ATOM 412 CG GLN A 26 1.393 14.381 3.689 1.00 0.00 C ATOM 413 CD GLN A 26 0.553 15.450 4.359 1.00 0.00 C ATOM 414 OE1 GLN A 26 0.607 16.621 3.988 1.00 0.00 O ATOM 415 NE2 GLN A 26 -0.229 15.105 5.325 1.00 0.00 N ATOM 0 H GLN A 26 -0.063 13.843 0.684 1.00 0.00 H new ATOM 0 HA GLN A 26 2.274 12.918 1.976 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.450 13.770 2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.216 12.559 3.793 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.055 13.916 4.419 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.027 14.831 2.925 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.268 14.131 5.627 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.808 15.806 5.787 1.00 0.00 H new ATOM 424 N VAL A 27 -0.080 10.664 1.449 1.00 0.00 N ATOM 425 CA VAL A 27 -0.298 9.220 1.394 1.00 0.00 C ATOM 426 C VAL A 27 0.726 8.598 0.447 1.00 0.00 C ATOM 427 O VAL A 27 1.344 7.580 0.762 1.00 0.00 O ATOM 428 CB VAL A 27 -1.726 8.903 0.918 1.00 0.00 C ATOM 429 CG1 VAL A 27 -1.919 7.383 0.855 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.743 9.497 1.902 1.00 0.00 C ATOM 0 H VAL A 27 -0.863 11.229 1.120 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.176 8.800 2.393 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.878 9.336 -0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.931 7.158 0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.200 6.954 0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.763 6.955 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.753 9.271 1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.588 9.065 2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.611 10.578 1.953 1.00 0.00 H new ATOM 440 N LYS A 28 0.918 9.254 -0.699 1.00 0.00 N ATOM 441 CA LYS A 28 1.892 8.809 -1.694 1.00 0.00 C ATOM 442 C LYS A 28 3.304 8.848 -1.113 1.00 0.00 C ATOM 443 O LYS A 28 4.134 8.004 -1.431 1.00 0.00 O ATOM 444 CB LYS A 28 1.816 9.699 -2.951 1.00 0.00 C ATOM 445 CG LYS A 28 0.599 9.305 -3.808 1.00 0.00 C ATOM 446 CD LYS A 28 0.276 10.426 -4.809 1.00 0.00 C ATOM 447 CE LYS A 28 1.359 10.495 -5.891 1.00 0.00 C ATOM 448 NZ LYS A 28 0.993 11.534 -6.894 1.00 0.00 N ATOM 0 H LYS A 28 0.409 10.098 -0.960 1.00 0.00 H new ATOM 0 HA LYS A 28 1.656 7.782 -1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.741 10.747 -2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.730 9.595 -3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.805 8.377 -4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.263 9.119 -3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.696 10.245 -5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.210 11.381 -4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.323 10.732 -5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.464 9.525 -6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.448 11.314 -7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.040 11.549 -7.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.315 12.466 -6.562 1.00 0.00 H new ATOM 462 N ALA A 29 3.556 9.842 -0.260 1.00 0.00 N ATOM 463 CA ALA A 29 4.852 10.017 0.375 1.00 0.00 C ATOM 464 C ALA A 29 5.092 8.934 1.388 1.00 0.00 C ATOM 465 O ALA A 29 6.177 8.367 1.450 1.00 0.00 O ATOM 466 CB ALA A 29 4.910 11.361 1.080 1.00 0.00 C ATOM 0 H ALA A 29 2.866 10.544 0.006 1.00 0.00 H new ATOM 0 HA ALA A 29 5.617 9.969 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.885 11.482 1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.757 12.160 0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.130 11.407 1.840 1.00 0.00 H new ATOM 472 N PHE A 30 4.062 8.640 2.172 1.00 0.00 N ATOM 473 CA PHE A 30 4.162 7.610 3.158 1.00 0.00 C ATOM 474 C PHE A 30 4.377 6.304 2.425 1.00 0.00 C ATOM 475 O PHE A 30 5.188 5.479 2.840 1.00 0.00 O ATOM 476 CB PHE A 30 2.904 7.575 4.023 1.00 0.00 C ATOM 477 CG PHE A 30 2.754 8.885 4.783 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.845 9.422 5.493 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.523 9.568 4.781 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.701 10.624 6.180 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.394 10.769 5.472 1.00 0.00 C ATOM 482 CZ PHE A 30 2.479 11.294 6.167 1.00 0.00 C ATOM 0 H PHE A 30 3.156 9.108 2.133 1.00 0.00 H new ATOM 0 HA PHE A 30 4.997 7.794 3.834 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.028 7.407 3.397 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.959 6.743 4.725 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.792 8.902 5.505 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.680 9.160 4.244 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.537 11.038 6.724 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.450 11.294 5.469 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.373 12.227 6.700 1.00 0.00 H new ATOM 492 N ILE A 31 3.693 6.169 1.279 1.00 0.00 N ATOM 493 CA ILE A 31 3.864 5.000 0.441 1.00 0.00 C ATOM 494 C ILE A 31 5.292 4.977 -0.073 1.00 0.00 C ATOM 495 O ILE A 31 5.956 3.963 -0.039 1.00 0.00 O ATOM 496 CB ILE A 31 2.864 5.003 -0.740 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.492 4.498 -0.244 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.380 4.105 -1.894 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.445 4.598 -1.356 1.00 0.00 C ATOM 0 H ILE A 31 3.026 6.854 0.924 1.00 0.00 H new ATOM 0 HA ILE A 31 3.665 4.105 1.031 1.00 0.00 H new ATOM 0 HB ILE A 31 2.763 6.019 -1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.578 3.464 0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.172 5.085 0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.663 4.120 -2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.342 4.480 -2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.498 3.083 -1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.515 4.237 -0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.345 5.637 -1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.758 3.991 -2.206 1.00 0.00 H new ATOM 511 N ASP A 32 5.752 6.113 -0.542 1.00 0.00 N ATOM 512 CA ASP A 32 7.104 6.215 -1.068 1.00 0.00 C ATOM 513 C ASP A 32 8.143 5.927 0.005 1.00 0.00 C ATOM 514 O ASP A 32 9.148 5.264 -0.256 1.00 0.00 O ATOM 515 CB ASP A 32 7.308 7.605 -1.692 1.00 0.00 C ATOM 516 CG ASP A 32 6.488 7.749 -2.983 1.00 0.00 C ATOM 517 OD1 ASP A 32 6.228 6.741 -3.627 1.00 0.00 O ATOM 518 OD2 ASP A 32 6.135 8.869 -3.310 1.00 0.00 O ATOM 0 H ASP A 32 5.216 6.980 -0.573 1.00 0.00 H new ATOM 0 HA ASP A 32 7.237 5.460 -1.843 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.012 8.375 -0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.365 7.760 -1.908 1.00 0.00 H new ATOM 523 N SER A 33 7.874 6.392 1.210 1.00 0.00 N ATOM 524 CA SER A 33 8.760 6.148 2.340 1.00 0.00 C ATOM 525 C SER A 33 8.737 4.652 2.653 1.00 0.00 C ATOM 526 O SER A 33 9.765 4.034 2.924 1.00 0.00 O ATOM 527 CB SER A 33 8.291 6.965 3.538 1.00 0.00 C ATOM 528 OG SER A 33 8.321 8.346 3.205 1.00 0.00 O ATOM 0 H SER A 33 7.046 6.944 1.435 1.00 0.00 H new ATOM 0 HA SER A 33 9.781 6.450 2.104 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.281 6.669 3.821 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.933 6.772 4.398 1.00 0.00 H new ATOM 0 HG SER A 33 7.594 8.547 2.579 1.00 0.00 H new ATOM 534 N LEU A 34 7.535 4.091 2.544 1.00 0.00 N ATOM 535 CA LEU A 34 7.283 2.661 2.733 1.00 0.00 C ATOM 536 C LEU A 34 8.116 1.879 1.725 1.00 0.00 C ATOM 537 O LEU A 34 8.859 0.964 2.076 1.00 0.00 O ATOM 538 CB LEU A 34 5.790 2.438 2.462 1.00 0.00 C ATOM 539 CG LEU A 34 5.002 2.271 3.758 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.733 3.123 3.733 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.609 0.818 3.892 1.00 0.00 C ATOM 0 H LEU A 34 6.695 4.624 2.319 1.00 0.00 H new ATOM 0 HA LEU A 34 7.547 2.331 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.392 3.283 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.661 1.552 1.840 1.00 0.00 H new ATOM 0 HG LEU A 34 5.621 2.589 4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.186 2.989 4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.002 4.173 3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.105 2.815 2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.044 0.677 4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.993 0.528 3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.506 0.199 3.918 1.00 0.00 H new ATOM 553 N ARG A 35 7.984 2.285 0.475 1.00 0.00 N ATOM 554 CA ARG A 35 8.719 1.678 -0.637 1.00 0.00 C ATOM 555 C ARG A 35 10.227 1.803 -0.419 1.00 0.00 C ATOM 556 O ARG A 35 10.978 0.849 -0.631 1.00 0.00 O ATOM 557 CB ARG A 35 8.348 2.410 -1.929 1.00 0.00 C ATOM 558 CG ARG A 35 6.871 2.187 -2.239 1.00 0.00 C ATOM 559 CD ARG A 35 6.420 3.104 -3.376 1.00 0.00 C ATOM 560 NE ARG A 35 6.991 2.670 -4.636 1.00 0.00 N ATOM 561 CZ ARG A 35 6.535 1.604 -5.278 1.00 0.00 C ATOM 562 NH1 ARG A 35 5.759 0.750 -4.668 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.843 1.431 -6.527 1.00 0.00 N ATOM 0 H ARG A 35 7.365 3.046 0.194 1.00 0.00 H new ATOM 0 HA ARG A 35 8.457 0.622 -0.700 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.551 3.476 -1.826 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.962 2.047 -2.753 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.704 1.146 -2.515 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.273 2.380 -1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.332 3.102 -3.443 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.724 4.129 -3.166 1.00 0.00 H new ATOM 0 HE ARG A 35 7.764 3.199 -5.039 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.501 0.902 -3.693 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.411 -0.069 -5.166 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.431 2.112 -7.006 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.497 0.614 -7.029 1.00 0.00 H new ATOM 577 N ASP A 36 10.647 2.993 0.015 1.00 0.00 N ATOM 578 CA ASP A 36 12.056 3.273 0.277 1.00 0.00 C ATOM 579 C ASP A 36 12.557 2.437 1.446 1.00 0.00 C ATOM 580 O ASP A 36 13.682 1.933 1.430 1.00 0.00 O ATOM 581 CB ASP A 36 12.237 4.754 0.584 1.00 0.00 C ATOM 582 CG ASP A 36 13.722 5.097 0.698 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.332 5.357 -0.327 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.229 5.088 1.808 1.00 0.00 O ATOM 0 H ASP A 36 10.025 3.782 0.193 1.00 0.00 H new ATOM 0 HA ASP A 36 12.636 3.014 -0.609 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.778 5.354 -0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.727 5.004 1.514 1.00 0.00 H new ATOM 589 N ASP A 37 11.698 2.295 2.450 1.00 0.00 N ATOM 590 CA ASP A 37 12.025 1.517 3.637 1.00 0.00 C ATOM 591 C ASP A 37 10.769 0.861 4.191 1.00 0.00 C ATOM 592 O ASP A 37 10.001 1.479 4.936 1.00 0.00 O ATOM 593 CB ASP A 37 12.684 2.403 4.706 1.00 0.00 C ATOM 594 CG ASP A 37 13.409 1.535 5.745 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.801 0.599 6.247 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.561 1.820 6.025 1.00 0.00 O ATOM 0 H ASP A 37 10.767 2.711 2.464 1.00 0.00 H new ATOM 0 HA ASP A 37 12.736 0.740 3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.391 3.087 4.236 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.928 3.015 5.197 1.00 0.00 H new ATOM 601 N PRO A 38 10.547 -0.377 3.830 1.00 0.00 N ATOM 602 CA PRO A 38 9.359 -1.137 4.284 1.00 0.00 C ATOM 603 C PRO A 38 9.400 -1.468 5.769 1.00 0.00 C ATOM 604 O PRO A 38 8.361 -1.536 6.422 1.00 0.00 O ATOM 605 CB PRO A 38 9.359 -2.405 3.439 1.00 0.00 C ATOM 606 CG PRO A 38 10.528 -2.341 2.510 1.00 0.00 C ATOM 607 CD PRO A 38 11.410 -1.183 2.952 1.00 0.00 C ATOM 0 HA PRO A 38 8.450 -0.549 4.158 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.426 -3.287 4.076 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.429 -2.488 2.876 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.086 -3.277 2.533 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.192 -2.195 1.483 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.294 -1.537 3.481 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.760 -0.603 2.098 1.00 0.00 H new ATOM 615 N SER A 39 10.600 -1.655 6.299 1.00 0.00 N ATOM 616 CA SER A 39 10.754 -1.949 7.716 1.00 0.00 C ATOM 617 C SER A 39 10.262 -0.749 8.520 1.00 0.00 C ATOM 618 O SER A 39 9.809 -0.881 9.659 1.00 0.00 O ATOM 619 CB SER A 39 12.222 -2.234 8.046 1.00 0.00 C ATOM 620 OG SER A 39 12.322 -2.698 9.386 1.00 0.00 O ATOM 0 H SER A 39 11.474 -1.609 5.775 1.00 0.00 H new ATOM 0 HA SER A 39 10.170 -2.833 7.971 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.622 -2.980 7.360 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.818 -1.330 7.917 1.00 0.00 H new ATOM 0 HG SER A 39 13.261 -2.883 9.599 1.00 0.00 H new ATOM 626 N GLN A 40 10.365 0.424 7.891 1.00 0.00 N ATOM 627 CA GLN A 40 9.949 1.680 8.498 1.00 0.00 C ATOM 628 C GLN A 40 8.470 1.976 8.221 1.00 0.00 C ATOM 629 O GLN A 40 7.966 3.008 8.628 1.00 0.00 O ATOM 630 CB GLN A 40 10.824 2.818 7.939 1.00 0.00 C ATOM 631 CG GLN A 40 11.120 3.857 9.026 1.00 0.00 C ATOM 632 CD GLN A 40 12.150 3.315 10.015 1.00 0.00 C ATOM 633 OE1 GLN A 40 13.293 3.051 9.644 1.00 0.00 O ATOM 634 NE2 GLN A 40 11.808 3.133 11.261 1.00 0.00 N ATOM 0 H GLN A 40 10.739 0.525 6.948 1.00 0.00 H new ATOM 0 HA GLN A 40 10.073 1.603 9.578 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.759 2.410 7.555 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.317 3.296 7.101 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.492 4.774 8.570 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.201 4.114 9.553 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.860 3.352 11.567 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.489 2.771 11.929 1.00 0.00 H new ATOM 643 N SER A 41 7.794 1.073 7.512 1.00 0.00 N ATOM 644 CA SER A 41 6.386 1.252 7.133 1.00 0.00 C ATOM 645 C SER A 41 5.477 1.651 8.300 1.00 0.00 C ATOM 646 O SER A 41 4.582 2.481 8.130 1.00 0.00 O ATOM 647 CB SER A 41 5.870 -0.072 6.575 1.00 0.00 C ATOM 648 OG SER A 41 5.927 -1.070 7.587 1.00 0.00 O ATOM 0 H SER A 41 8.202 0.198 7.183 1.00 0.00 H new ATOM 0 HA SER A 41 6.356 2.063 6.405 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.845 0.045 6.222 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.470 -0.375 5.717 1.00 0.00 H new ATOM 0 HG SER A 41 6.782 -1.546 7.530 1.00 0.00 H new ATOM 654 N ALA A 42 5.708 1.071 9.468 1.00 0.00 N ATOM 655 CA ALA A 42 4.901 1.381 10.643 1.00 0.00 C ATOM 656 C ALA A 42 5.111 2.826 11.057 1.00 0.00 C ATOM 657 O ALA A 42 4.200 3.489 11.547 1.00 0.00 O ATOM 658 CB ALA A 42 5.319 0.478 11.793 1.00 0.00 C ATOM 0 H ALA A 42 6.445 0.385 9.630 1.00 0.00 H new ATOM 0 HA ALA A 42 3.850 1.223 10.400 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.718 0.707 12.673 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.167 -0.564 11.511 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.372 0.643 12.021 1.00 0.00 H new ATOM 664 N ASN A 43 6.337 3.281 10.853 1.00 0.00 N ATOM 665 CA ASN A 43 6.740 4.629 11.188 1.00 0.00 C ATOM 666 C ASN A 43 6.061 5.644 10.280 1.00 0.00 C ATOM 667 O ASN A 43 5.744 6.755 10.676 1.00 0.00 O ATOM 668 CB ASN A 43 8.244 4.719 10.983 1.00 0.00 C ATOM 669 CG ASN A 43 8.849 5.904 11.739 1.00 0.00 C ATOM 670 OD1 ASN A 43 8.129 6.737 12.293 1.00 0.00 O ATOM 671 ND2 ASN A 43 10.145 6.026 11.792 1.00 0.00 N ATOM 0 H ASN A 43 7.083 2.717 10.447 1.00 0.00 H new ATOM 0 HA ASN A 43 6.458 4.849 12.218 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.713 3.795 11.320 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.461 4.817 9.919 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.563 6.811 12.292 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.741 5.337 11.334 1.00 0.00 H new ATOM 678 N LEU A 44 5.878 5.221 9.050 1.00 0.00 N ATOM 679 CA LEU A 44 5.271 6.025 8.003 1.00 0.00 C ATOM 680 C LEU A 44 3.810 6.098 8.265 1.00 0.00 C ATOM 681 O LEU A 44 3.187 7.144 8.144 1.00 0.00 O ATOM 682 CB LEU A 44 5.614 5.355 6.681 1.00 0.00 C ATOM 683 CG LEU A 44 7.135 5.189 6.698 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.616 4.282 5.586 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.767 6.564 6.616 1.00 0.00 C ATOM 0 H LEU A 44 6.151 4.289 8.739 1.00 0.00 H new ATOM 0 HA LEU A 44 5.640 7.050 7.973 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.114 4.391 6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.294 5.964 5.836 1.00 0.00 H new ATOM 0 HG LEU A 44 7.436 4.705 7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.701 4.191 5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.164 3.297 5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.330 4.704 4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.853 6.467 6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.456 7.053 5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.448 7.163 7.469 1.00 0.00 H new ATOM 697 N LEU A 45 3.318 4.978 8.726 1.00 0.00 N ATOM 698 CA LEU A 45 1.945 4.866 9.151 1.00 0.00 C ATOM 699 C LEU A 45 1.786 5.762 10.373 1.00 0.00 C ATOM 700 O LEU A 45 0.778 6.436 10.553 1.00 0.00 O ATOM 701 CB LEU A 45 1.636 3.401 9.487 1.00 0.00 C ATOM 702 CG LEU A 45 0.385 3.295 10.366 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.820 3.904 9.643 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.126 1.819 10.674 1.00 0.00 C ATOM 0 H LEU A 45 3.857 4.117 8.818 1.00 0.00 H new ATOM 0 HA LEU A 45 1.250 5.176 8.371 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.488 2.836 8.567 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.486 2.954 10.002 1.00 0.00 H new ATOM 0 HG LEU A 45 0.539 3.843 11.295 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.703 3.823 10.277 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.623 4.954 9.428 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.993 3.369 8.709 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.762 1.728 11.299 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.029 1.275 9.742 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.984 1.401 11.200 1.00 0.00 H new ATOM 716 N ALA A 46 2.840 5.775 11.181 1.00 0.00 N ATOM 717 CA ALA A 46 2.893 6.592 12.380 1.00 0.00 C ATOM 718 C ALA A 46 2.846 8.054 11.998 1.00 0.00 C ATOM 719 O ALA A 46 2.094 8.850 12.562 1.00 0.00 O ATOM 720 CB ALA A 46 4.203 6.334 13.124 1.00 0.00 C ATOM 0 H ALA A 46 3.680 5.219 11.020 1.00 0.00 H new ATOM 0 HA ALA A 46 2.045 6.339 13.016 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.238 6.949 14.023 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.262 5.282 13.402 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.044 6.587 12.478 1.00 0.00 H new ATOM 726 N GLU A 47 3.658 8.368 11.004 1.00 0.00 N ATOM 727 CA GLU A 47 3.754 9.698 10.469 1.00 0.00 C ATOM 728 C GLU A 47 2.436 10.094 9.862 1.00 0.00 C ATOM 729 O GLU A 47 1.999 11.227 9.972 1.00 0.00 O ATOM 730 CB GLU A 47 4.804 9.697 9.369 1.00 0.00 C ATOM 731 CG GLU A 47 6.217 9.795 9.930 1.00 0.00 C ATOM 732 CD GLU A 47 6.362 11.016 10.845 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.111 12.118 10.379 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.723 10.831 11.996 1.00 0.00 O ATOM 0 H GLU A 47 4.272 7.694 10.547 1.00 0.00 H new ATOM 0 HA GLU A 47 4.020 10.396 11.263 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.710 8.785 8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.623 10.533 8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.454 8.889 10.487 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.933 9.863 9.111 1.00 0.00 H new ATOM 741 N ALA A 48 1.817 9.129 9.216 1.00 0.00 N ATOM 742 CA ALA A 48 0.555 9.341 8.574 1.00 0.00 C ATOM 743 C ALA A 48 -0.505 9.632 9.608 1.00 0.00 C ATOM 744 O ALA A 48 -1.241 10.601 9.483 1.00 0.00 O ATOM 745 CB ALA A 48 0.208 8.096 7.792 1.00 0.00 C ATOM 0 H ALA A 48 2.181 8.180 9.126 1.00 0.00 H new ATOM 0 HA ALA A 48 0.610 10.195 7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.751 8.235 7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.980 7.908 7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.144 7.246 8.471 1.00 0.00 H new ATOM 751 N LYS A 49 -0.547 8.811 10.653 1.00 0.00 N ATOM 752 CA LYS A 49 -1.495 9.031 11.728 1.00 0.00 C ATOM 753 C LYS A 49 -1.232 10.397 12.326 1.00 0.00 C ATOM 754 O LYS A 49 -2.153 11.072 12.768 1.00 0.00 O ATOM 755 CB LYS A 49 -1.366 7.949 12.808 1.00 0.00 C ATOM 756 CG LYS A 49 -1.922 6.617 12.285 1.00 0.00 C ATOM 757 CD LYS A 49 -1.875 5.565 13.402 1.00 0.00 C ATOM 758 CE LYS A 49 -2.325 4.206 12.855 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.754 3.332 13.983 1.00 0.00 N ATOM 0 H LYS A 49 0.058 7.999 10.774 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.509 8.981 11.330 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.320 7.830 13.092 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.907 8.252 13.704 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.947 6.750 11.940 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.339 6.279 11.429 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.863 5.490 13.801 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.521 5.867 14.226 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.147 4.340 12.152 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.509 3.735 12.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.059 2.410 13.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.958 3.195 14.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.545 3.780 14.488 1.00 0.00 H new ATOM 773 N LYS A 50 0.040 10.809 12.303 1.00 0.00 N ATOM 774 CA LYS A 50 0.416 12.101 12.822 1.00 0.00 C ATOM 775 C LYS A 50 -0.045 13.195 11.882 1.00 0.00 C ATOM 776 O LYS A 50 -0.544 14.233 12.317 1.00 0.00 O ATOM 777 CB LYS A 50 1.936 12.148 13.014 1.00 0.00 C ATOM 778 CG LYS A 50 2.342 13.417 13.773 1.00 0.00 C ATOM 779 CD LYS A 50 3.856 13.394 14.024 1.00 0.00 C ATOM 780 CE LYS A 50 4.609 13.781 12.745 1.00 0.00 C ATOM 781 NZ LYS A 50 6.063 13.510 12.927 1.00 0.00 N ATOM 0 H LYS A 50 0.814 10.259 11.929 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.065 12.262 13.787 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.267 11.267 13.564 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.432 12.123 12.044 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.070 14.302 13.197 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.805 13.476 14.720 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.110 14.085 14.828 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.163 12.400 14.349 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.225 13.213 11.898 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.449 14.836 12.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.601 13.982 12.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.371 13.874 13.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.233 12.485 12.885 1.00 0.00 H new ATOM 795 N LEU A 51 0.121 12.944 10.592 1.00 0.00 N ATOM 796 CA LEU A 51 -0.286 13.900 9.580 1.00 0.00 C ATOM 797 C LEU A 51 -1.798 13.980 9.526 1.00 0.00 C ATOM 798 O LEU A 51 -2.372 15.062 9.429 1.00 0.00 O ATOM 799 CB LEU A 51 0.274 13.512 8.204 1.00 0.00 C ATOM 800 CG LEU A 51 1.603 14.234 7.927 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.451 15.747 8.132 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.704 13.685 8.850 1.00 0.00 C ATOM 0 H LEU A 51 0.534 12.087 10.224 1.00 0.00 H new ATOM 0 HA LEU A 51 0.115 14.878 9.846 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.426 12.434 8.160 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.449 13.764 7.429 1.00 0.00 H new ATOM 0 HG LEU A 51 1.884 14.053 6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.403 16.239 7.931 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.692 16.132 7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.150 15.946 9.160 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.641 14.203 8.646 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.420 13.845 9.890 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.832 12.618 8.669 1.00 0.00 H new ATOM 814 N ASN A 52 -2.432 12.816 9.614 1.00 0.00 N ATOM 815 CA ASN A 52 -3.878 12.733 9.604 1.00 0.00 C ATOM 816 C ASN A 52 -4.412 13.446 10.827 1.00 0.00 C ATOM 817 O ASN A 52 -5.344 14.238 10.740 1.00 0.00 O ATOM 818 CB ASN A 52 -4.316 11.264 9.627 1.00 0.00 C ATOM 819 CG ASN A 52 -5.723 11.122 10.201 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.689 11.545 9.580 1.00 0.00 O ATOM 821 ND2 ASN A 52 -5.892 10.549 11.359 1.00 0.00 N ATOM 0 H ASN A 52 -1.959 11.916 9.693 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.269 13.201 8.701 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.289 10.857 8.616 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.615 10.681 10.224 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.830 10.453 11.748 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.086 10.197 11.876 1.00 0.00 H new ATOM 828 N ASP A 53 -3.790 13.156 11.968 1.00 0.00 N ATOM 829 CA ASP A 53 -4.193 13.780 13.216 1.00 0.00 C ATOM 830 C ASP A 53 -3.977 15.284 13.140 1.00 0.00 C ATOM 831 O ASP A 53 -4.810 16.067 13.598 1.00 0.00 O ATOM 832 CB ASP A 53 -3.412 13.193 14.401 1.00 0.00 C ATOM 833 CG ASP A 53 -3.868 11.759 14.726 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.863 11.310 14.173 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.204 11.127 15.530 1.00 0.00 O ATOM 0 H ASP A 53 -3.014 12.499 12.049 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.253 13.578 13.373 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.347 13.193 14.171 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.549 13.826 15.277 1.00 0.00 H new ATOM 840 N ALA A 54 -2.857 15.672 12.536 1.00 0.00 N ATOM 841 CA ALA A 54 -2.528 17.075 12.370 1.00 0.00 C ATOM 842 C ALA A 54 -3.541 17.734 11.440 1.00 0.00 C ATOM 843 O ALA A 54 -3.946 18.878 11.652 1.00 0.00 O ATOM 844 CB ALA A 54 -1.122 17.203 11.782 1.00 0.00 C ATOM 0 H ALA A 54 -2.164 15.029 12.154 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.559 17.572 13.339 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.874 18.257 11.657 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.402 16.739 12.456 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.086 16.705 10.813 1.00 0.00 H new ATOM 850 N GLN A 55 -3.948 16.987 10.412 1.00 0.00 N ATOM 851 CA GLN A 55 -4.920 17.473 9.439 1.00 0.00 C ATOM 852 C GLN A 55 -6.354 17.215 9.911 1.00 0.00 C ATOM 853 O GLN A 55 -7.314 17.620 9.251 1.00 0.00 O ATOM 854 CB GLN A 55 -4.673 16.769 8.105 1.00 0.00 C ATOM 855 CG GLN A 55 -3.383 17.310 7.474 1.00 0.00 C ATOM 856 CD GLN A 55 -2.969 16.428 6.306 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.965 16.866 5.157 1.00 0.00 O ATOM 858 NE2 GLN A 55 -2.621 15.197 6.538 1.00 0.00 N ATOM 0 H GLN A 55 -3.616 16.039 10.234 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.799 18.550 9.324 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.592 15.693 8.259 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.516 16.933 7.433 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.537 18.333 7.132 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.588 17.339 8.219 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.625 14.837 7.492 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.343 14.591 5.766 1.00 0.00 H new ATOM 867 N ALA A 56 -6.490 16.541 11.055 1.00 0.00 N ATOM 868 CA ALA A 56 -7.808 16.234 11.609 1.00 0.00 C ATOM 869 C ALA A 56 -8.391 17.453 12.310 1.00 0.00 C ATOM 870 O ALA A 56 -7.660 18.194 12.966 1.00 0.00 O ATOM 871 CB ALA A 56 -7.715 15.066 12.601 1.00 0.00 C ATOM 0 H ALA A 56 -5.707 16.199 11.613 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.463 15.951 10.785 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.705 14.851 13.004 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.332 14.183 12.089 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.042 15.333 13.416 1.00 0.00 H new ATOM 981 N PHE B 5 -10.219 -12.214 1.804 1.00 0.00 N ATOM 982 CA PHE B 5 -9.019 -11.687 1.175 1.00 0.00 C ATOM 983 C PHE B 5 -8.425 -10.503 1.931 1.00 0.00 C ATOM 984 O PHE B 5 -7.459 -9.926 1.468 1.00 0.00 O ATOM 985 CB PHE B 5 -9.330 -11.284 -0.271 1.00 0.00 C ATOM 986 CG PHE B 5 -9.152 -12.488 -1.159 1.00 0.00 C ATOM 987 CD1 PHE B 5 -9.772 -13.694 -0.817 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.364 -12.404 -2.311 1.00 0.00 C ATOM 989 CE1 PHE B 5 -9.603 -14.818 -1.632 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.194 -13.527 -3.123 1.00 0.00 C ATOM 991 CZ PHE B 5 -8.814 -14.735 -2.785 1.00 0.00 C ATOM 0 HA PHE B 5 -8.271 -12.479 1.192 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.350 -10.907 -0.347 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.668 -10.479 -0.589 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -10.379 -13.757 0.074 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.887 -11.471 -2.573 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -10.082 -15.750 -1.371 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.584 -13.463 -4.012 1.00 0.00 H new ATOM 0 HZ PHE B 5 -8.684 -15.603 -3.414 1.00 0.00 H new ATOM 1001 N ASN B 6 -8.976 -10.149 3.094 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.422 -9.036 3.871 1.00 0.00 C ATOM 1003 C ASN B 6 -6.938 -9.281 4.109 1.00 0.00 C ATOM 1004 O ASN B 6 -6.112 -8.410 3.848 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.158 -8.920 5.218 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.732 -7.655 5.967 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -9.579 -6.855 6.364 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -7.466 -7.420 6.182 1.00 0.00 N ATOM 0 H ASN B 6 -9.787 -10.604 3.512 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.553 -8.105 3.319 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.235 -8.902 5.048 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -8.947 -9.798 5.829 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -7.181 -6.575 6.678 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -6.762 -8.081 5.854 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.615 -10.491 4.556 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.227 -10.877 4.788 1.00 0.00 C ATOM 1017 C LYS B 7 -4.467 -10.883 3.463 1.00 0.00 C ATOM 1018 O LYS B 7 -3.349 -10.373 3.370 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.192 -12.275 5.418 1.00 0.00 C ATOM 1020 CG LYS B 7 -3.743 -12.700 5.701 1.00 0.00 C ATOM 1021 CD LYS B 7 -3.719 -14.123 6.284 1.00 0.00 C ATOM 1022 CE LYS B 7 -4.003 -15.155 5.179 1.00 0.00 C ATOM 1023 NZ LYS B 7 -5.475 -15.340 5.023 1.00 0.00 N ATOM 0 H LYS B 7 -7.296 -11.221 4.765 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.755 -10.163 5.463 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -5.766 -12.277 6.345 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -5.664 -12.994 4.749 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.158 -12.664 4.782 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.280 -12.003 6.400 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -2.748 -14.322 6.737 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -4.463 -14.212 7.075 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -3.568 -14.821 4.237 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -3.533 -16.106 5.428 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -5.705 -16.353 5.074 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -5.971 -14.834 5.784 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -5.777 -14.962 4.102 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.102 -11.467 2.449 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.522 -11.562 1.112 1.00 0.00 C ATOM 1039 C GLU B 8 -4.328 -10.180 0.491 1.00 0.00 C ATOM 1040 O GLU B 8 -3.407 -9.965 -0.301 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.452 -12.387 0.199 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.432 -13.871 0.603 1.00 0.00 C ATOM 1043 CD GLU B 8 -6.609 -14.204 1.526 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -6.560 -13.822 2.683 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -7.543 -14.837 1.061 1.00 0.00 O ATOM 0 H GLU B 8 -6.029 -11.886 2.531 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.550 -12.046 1.204 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.469 -12.001 0.263 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.137 -12.283 -0.839 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.477 -14.495 -0.289 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.493 -14.102 1.107 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.215 -9.256 0.849 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.175 -7.910 0.332 1.00 0.00 C ATOM 1054 C ARG B 9 -3.977 -7.175 0.916 1.00 0.00 C ATOM 1055 O ARG B 9 -3.252 -6.494 0.204 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.470 -7.194 0.720 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.595 -5.876 -0.042 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.613 -4.989 0.665 1.00 0.00 C ATOM 1059 NE ARG B 9 -7.132 -4.685 2.007 1.00 0.00 N ATOM 1060 CZ ARG B 9 -7.906 -4.838 3.070 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -8.938 -4.067 3.248 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -7.632 -5.766 3.935 1.00 0.00 N ATOM 0 H ARG B 9 -5.977 -9.428 1.505 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.080 -7.929 -0.754 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.326 -7.832 0.500 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.481 -7.004 1.793 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.628 -5.375 -0.089 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.908 -6.063 -1.069 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.764 -4.068 0.102 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.578 -5.493 0.717 1.00 0.00 H new ATOM 0 HE ARG B 9 -6.178 -4.347 2.130 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.155 -3.340 2.567 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -9.531 -4.190 4.069 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -6.824 -6.372 3.794 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -8.225 -5.889 4.756 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.779 -7.345 2.227 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.667 -6.702 2.930 1.00 0.00 C ATOM 1078 C VAL B 10 -1.344 -7.116 2.302 1.00 0.00 C ATOM 1079 O VAL B 10 -0.430 -6.304 2.163 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.660 -7.116 4.408 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -1.555 -6.358 5.159 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -4.040 -6.870 5.054 1.00 0.00 C ATOM 0 H VAL B 10 -4.374 -7.922 2.821 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.793 -5.622 2.853 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.452 -8.184 4.472 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.556 -6.657 6.207 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.587 -6.593 4.716 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -1.736 -5.286 5.088 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -4.010 -7.171 6.101 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -4.289 -5.811 4.988 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -4.796 -7.454 4.530 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.262 -8.385 1.919 1.00 0.00 N ATOM 1093 CA ILE B 11 -0.057 -8.914 1.298 1.00 0.00 C ATOM 1094 C ILE B 11 0.134 -8.281 -0.074 1.00 0.00 C ATOM 1095 O ILE B 11 1.260 -7.962 -0.464 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.150 -10.442 1.169 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.535 -11.057 2.544 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.197 -10.992 0.673 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.651 -11.783 3.209 1.00 0.00 C ATOM 0 H ILE B 11 -2.015 -9.064 2.028 1.00 0.00 H new ATOM 0 HA ILE B 11 0.801 -8.672 1.925 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.921 -10.712 0.447 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.893 -10.268 3.206 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.359 -11.758 2.409 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.135 -12.076 0.580 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.432 -10.557 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.980 -10.733 1.385 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.334 -12.196 4.167 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.993 -12.590 2.561 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.466 -11.077 3.370 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.976 -8.094 -0.801 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.916 -7.493 -2.117 1.00 0.00 C ATOM 1113 C ALA B 12 -0.507 -6.058 -2.015 1.00 0.00 C ATOM 1114 O ALA B 12 0.349 -5.619 -2.769 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.266 -7.601 -2.823 1.00 0.00 C ATOM 0 H ALA B 12 -1.914 -8.352 -0.493 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.173 -8.033 -2.704 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.198 -7.143 -3.810 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.539 -8.651 -2.928 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -3.026 -7.086 -2.236 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.074 -5.347 -1.047 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.704 -3.961 -0.841 1.00 0.00 C ATOM 1123 C ILE B 13 0.792 -3.950 -0.618 1.00 0.00 C ATOM 1124 O ILE B 13 1.498 -3.116 -1.146 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.446 -3.400 0.384 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.943 -3.475 0.148 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -1.099 -1.933 0.617 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.678 -3.312 1.464 1.00 0.00 C ATOM 0 H ILE B 13 -1.780 -5.705 -0.404 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.972 -3.339 -1.695 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.147 -3.992 1.249 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.250 -2.696 -0.550 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.201 -4.431 -0.308 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.639 -1.566 1.490 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -0.027 -1.835 0.786 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.383 -1.349 -0.258 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.753 -3.366 1.290 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.380 -4.107 2.148 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.430 -2.345 1.902 1.00 0.00 H new ATOM 1140 N GLY B 14 1.258 -4.948 0.120 1.00 0.00 N ATOM 1141 CA GLY B 14 2.679 -5.109 0.377 1.00 0.00 C ATOM 1142 C GLY B 14 3.452 -5.363 -0.913 1.00 0.00 C ATOM 1143 O GLY B 14 4.542 -4.827 -1.099 1.00 0.00 O ATOM 0 H GLY B 14 0.669 -5.660 0.552 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.066 -4.214 0.865 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.834 -5.940 1.066 1.00 0.00 H new ATOM 1147 N GLU B 15 2.884 -6.184 -1.802 1.00 0.00 N ATOM 1148 CA GLU B 15 3.542 -6.513 -3.060 1.00 0.00 C ATOM 1149 C GLU B 15 3.687 -5.276 -3.908 1.00 0.00 C ATOM 1150 O GLU B 15 4.746 -5.050 -4.484 1.00 0.00 O ATOM 1151 CB GLU B 15 2.732 -7.556 -3.826 1.00 0.00 C ATOM 1152 CG GLU B 15 3.640 -8.379 -4.758 1.00 0.00 C ATOM 1153 CD GLU B 15 3.525 -9.866 -4.417 1.00 0.00 C ATOM 1154 OE1 GLU B 15 4.254 -10.312 -3.545 1.00 0.00 O ATOM 1155 OE2 GLU B 15 2.706 -10.536 -5.026 1.00 0.00 O ATOM 0 H GLU B 15 1.975 -6.628 -1.671 1.00 0.00 H new ATOM 0 HA GLU B 15 4.529 -6.918 -2.836 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.228 -8.220 -3.123 1.00 0.00 H new ATOM 0 HB3 GLU B 15 1.956 -7.062 -4.411 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.356 -8.212 -5.797 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.675 -8.052 -4.654 1.00 0.00 H new ATOM 1162 N ILE B 16 2.623 -4.469 -3.987 1.00 0.00 N ATOM 1163 CA ILE B 16 2.713 -3.251 -4.813 1.00 0.00 C ATOM 1164 C ILE B 16 3.874 -2.394 -4.311 1.00 0.00 C ATOM 1165 O ILE B 16 4.727 -1.948 -5.079 1.00 0.00 O ATOM 1166 CB ILE B 16 1.453 -2.347 -4.728 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.147 -3.143 -4.617 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.386 -1.456 -5.972 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.138 -3.889 -5.908 1.00 0.00 C ATOM 0 H ILE B 16 1.731 -4.621 -3.517 1.00 0.00 H new ATOM 0 HA ILE B 16 2.835 -3.596 -5.840 1.00 0.00 H new ATOM 0 HB ILE B 16 1.549 -1.753 -3.819 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.215 -3.850 -3.790 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.678 -2.468 -4.392 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.503 -0.820 -5.917 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.279 -0.833 -6.022 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.328 -2.080 -6.864 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.069 -4.447 -5.808 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.229 -3.176 -6.728 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.679 -4.580 -6.117 1.00 0.00 H new ATOM 1181 N MET B 17 3.864 -2.176 -3.008 1.00 0.00 N ATOM 1182 CA MET B 17 4.875 -1.378 -2.324 1.00 0.00 C ATOM 1183 C MET B 17 6.270 -1.987 -2.500 1.00 0.00 C ATOM 1184 O MET B 17 7.255 -1.255 -2.615 1.00 0.00 O ATOM 1185 CB MET B 17 4.477 -1.284 -0.859 1.00 0.00 C ATOM 1186 CG MET B 17 3.038 -0.750 -0.773 1.00 0.00 C ATOM 1187 SD MET B 17 2.998 0.973 -1.265 1.00 0.00 S ATOM 1188 CE MET B 17 3.933 1.570 0.141 1.00 0.00 C ATOM 0 H MET B 17 3.148 -2.550 -2.386 1.00 0.00 H new ATOM 0 HA MET B 17 4.925 -0.378 -2.754 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.546 -2.263 -0.385 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.158 -0.622 -0.324 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.384 -1.337 -1.418 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.661 -0.856 0.244 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.390 2.385 0.620 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.074 0.759 0.855 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.905 1.931 -0.195 1.00 0.00 H new ATOM 1198 N ARG B 18 6.347 -3.325 -2.556 1.00 0.00 N ATOM 1199 CA ARG B 18 7.629 -4.003 -2.760 1.00 0.00 C ATOM 1200 C ARG B 18 8.181 -3.694 -4.147 1.00 0.00 C ATOM 1201 O ARG B 18 9.391 -3.534 -4.315 1.00 0.00 O ATOM 1202 CB ARG B 18 7.476 -5.514 -2.619 1.00 0.00 C ATOM 1203 CG ARG B 18 7.195 -5.895 -1.161 1.00 0.00 C ATOM 1204 CD ARG B 18 8.289 -6.826 -0.626 1.00 0.00 C ATOM 1205 NE ARG B 18 8.258 -8.110 -1.326 1.00 0.00 N ATOM 1206 CZ ARG B 18 7.233 -8.946 -1.193 1.00 0.00 C ATOM 1207 NH1 ARG B 18 6.207 -8.847 -1.990 1.00 0.00 N ATOM 1208 NH2 ARG B 18 7.254 -9.861 -0.267 1.00 0.00 N ATOM 0 H ARG B 18 5.546 -3.950 -2.464 1.00 0.00 H new ATOM 0 HA ARG B 18 8.318 -3.638 -1.998 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.663 -5.863 -3.255 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.384 -6.010 -2.962 1.00 0.00 H new ATOM 0 HG2 ARG B 18 7.144 -4.995 -0.548 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.225 -6.386 -1.088 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.266 -6.359 -0.753 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.149 -6.985 0.443 1.00 0.00 H new ATOM 0 HE ARG B 18 9.039 -8.369 -1.929 1.00 0.00 H new ATOM 0 HH11 ARG B 18 6.191 -8.129 -2.714 1.00 0.00 H new ATOM 0 HH12 ARG B 18 5.420 -9.488 -1.890 1.00 0.00 H new ATOM 0 HH21 ARG B 18 8.057 -9.937 0.357 1.00 0.00 H new ATOM 0 HH22 ARG B 18 6.467 -10.502 -0.166 1.00 0.00 H new ATOM 1222 N LEU B 19 7.281 -3.616 -5.136 1.00 0.00 N ATOM 1223 CA LEU B 19 7.679 -3.329 -6.514 1.00 0.00 C ATOM 1224 C LEU B 19 8.377 -1.978 -6.589 1.00 0.00 C ATOM 1225 O LEU B 19 7.744 -0.947 -6.380 1.00 0.00 O ATOM 1226 CB LEU B 19 6.455 -3.300 -7.438 1.00 0.00 C ATOM 1227 CG LEU B 19 5.742 -4.655 -7.487 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.439 -4.511 -8.266 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.610 -5.683 -8.185 1.00 0.00 C ATOM 0 H LEU B 19 6.278 -3.747 -5.005 1.00 0.00 H new ATOM 0 HA LEU B 19 8.358 -4.118 -6.837 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.758 -2.536 -7.093 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.766 -3.017 -8.444 1.00 0.00 H new ATOM 0 HG LEU B 19 5.543 -4.982 -6.466 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.929 -5.474 -8.303 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.799 -3.780 -7.772 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.657 -4.177 -9.280 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.090 -6.640 -8.212 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.817 -5.354 -9.203 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.549 -5.795 -7.642 1.00 0.00 H new ATOM 1241 N PRO B 20 9.660 -1.958 -6.873 1.00 0.00 N ATOM 1242 CA PRO B 20 10.440 -0.698 -6.964 1.00 0.00 C ATOM 1243 C PRO B 20 10.261 0.038 -8.298 1.00 0.00 C ATOM 1244 O PRO B 20 10.709 1.178 -8.435 1.00 0.00 O ATOM 1245 CB PRO B 20 11.899 -1.160 -6.799 1.00 0.00 C ATOM 1246 CG PRO B 20 11.874 -2.643 -6.621 1.00 0.00 C ATOM 1247 CD PRO B 20 10.529 -3.117 -7.132 1.00 0.00 C ATOM 0 HA PRO B 20 10.112 0.020 -6.212 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.490 -0.887 -7.673 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.361 -0.677 -5.938 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.687 -3.114 -7.175 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.006 -2.910 -5.572 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.564 -3.368 -8.192 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.186 -4.007 -6.604 1.00 0.00 H new ATOM 1255 N ASN B 21 9.632 -0.615 -9.285 1.00 0.00 N ATOM 1256 CA ASN B 21 9.451 0.006 -10.597 1.00 0.00 C ATOM 1257 C ASN B 21 8.111 0.741 -10.707 1.00 0.00 C ATOM 1258 O ASN B 21 7.949 1.584 -11.591 1.00 0.00 O ATOM 1259 CB ASN B 21 9.558 -1.051 -11.702 1.00 0.00 C ATOM 1260 CG ASN B 21 10.885 -1.803 -11.605 1.00 0.00 C ATOM 1261 OD1 ASN B 21 11.906 -1.229 -11.226 1.00 0.00 O ATOM 1262 ND2 ASN B 21 10.931 -3.063 -11.934 1.00 0.00 N ATOM 0 H ASN B 21 9.248 -1.556 -9.200 1.00 0.00 H new ATOM 0 HA ASN B 21 10.244 0.744 -10.718 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.729 -1.754 -11.621 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.476 -0.573 -12.678 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.813 -3.573 -11.877 1.00 0.00 H new ATOM 0 HD22 ASN B 21 10.085 -3.539 -12.248 1.00 0.00 H new ATOM 1269 N LEU B 22 7.151 0.430 -9.822 1.00 0.00 N ATOM 1270 CA LEU B 22 5.849 1.102 -9.881 1.00 0.00 C ATOM 1271 C LEU B 22 5.945 2.557 -9.443 1.00 0.00 C ATOM 1272 O LEU B 22 6.816 2.938 -8.660 1.00 0.00 O ATOM 1273 CB LEU B 22 4.794 0.408 -8.997 1.00 0.00 C ATOM 1274 CG LEU B 22 4.573 -1.043 -9.410 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.307 -1.587 -8.738 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.395 -1.110 -10.906 1.00 0.00 C ATOM 0 H LEU B 22 7.248 -0.262 -9.079 1.00 0.00 H new ATOM 0 HA LEU B 22 5.540 1.047 -10.925 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.112 0.445 -7.955 1.00 0.00 H new ATOM 0 HB3 LEU B 22 3.851 0.952 -9.062 1.00 0.00 H new ATOM 0 HG LEU B 22 5.434 -1.638 -9.105 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.154 -2.624 -9.036 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.418 -1.534 -7.655 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.448 -0.991 -9.044 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.237 -2.145 -11.208 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.532 -0.511 -11.197 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.288 -0.722 -11.396 1.00 0.00 H new ATOM 1288 N ASN B 23 5.008 3.347 -9.948 1.00 0.00 N ATOM 1289 CA ASN B 23 4.913 4.762 -9.617 1.00 0.00 C ATOM 1290 C ASN B 23 4.141 4.895 -8.300 1.00 0.00 C ATOM 1291 O ASN B 23 3.354 4.013 -7.956 1.00 0.00 O ATOM 1292 CB ASN B 23 4.211 5.470 -10.814 1.00 0.00 C ATOM 1293 CG ASN B 23 3.172 6.519 -10.416 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.348 7.258 -9.469 1.00 0.00 O ATOM 1295 ND2 ASN B 23 2.085 6.633 -11.125 1.00 0.00 N ATOM 0 H ASN B 23 4.292 3.025 -10.599 1.00 0.00 H new ATOM 0 HA ASN B 23 5.885 5.232 -9.468 1.00 0.00 H new ATOM 0 HB2 ASN B 23 4.971 5.948 -11.432 1.00 0.00 H new ATOM 0 HB3 ASN B 23 3.726 4.714 -11.432 1.00 0.00 H new ATOM 0 HD21 ASN B 23 1.390 7.339 -10.883 1.00 0.00 H new ATOM 0 HD22 ASN B 23 1.929 6.016 -11.922 1.00 0.00 H new ATOM 1302 N SER B 24 4.358 5.995 -7.572 1.00 0.00 N ATOM 1303 CA SER B 24 3.660 6.207 -6.303 1.00 0.00 C ATOM 1304 C SER B 24 2.157 6.191 -6.549 1.00 0.00 C ATOM 1305 O SER B 24 1.399 5.534 -5.837 1.00 0.00 O ATOM 1306 CB SER B 24 4.080 7.553 -5.703 1.00 0.00 C ATOM 1307 OG SER B 24 3.636 8.608 -6.546 1.00 0.00 O ATOM 0 H SER B 24 5.002 6.741 -7.835 1.00 0.00 H new ATOM 0 HA SER B 24 3.919 5.413 -5.603 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.655 7.667 -4.706 1.00 0.00 H new ATOM 0 HB3 SER B 24 5.164 7.592 -5.594 1.00 0.00 H new ATOM 0 HG SER B 24 4.036 9.453 -6.251 1.00 0.00 H new ATOM 1313 N LEU B 25 1.758 6.888 -7.608 1.00 0.00 N ATOM 1314 CA LEU B 25 0.373 6.948 -8.028 1.00 0.00 C ATOM 1315 C LEU B 25 -0.062 5.609 -8.608 1.00 0.00 C ATOM 1316 O LEU B 25 -1.209 5.202 -8.425 1.00 0.00 O ATOM 1317 CB LEU B 25 0.177 8.060 -9.066 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.757 9.118 -8.511 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.837 10.308 -9.476 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -2.135 8.495 -8.322 1.00 0.00 C ATOM 0 H LEU B 25 2.393 7.427 -8.197 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.243 7.170 -7.157 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.138 8.507 -9.320 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.235 7.644 -9.986 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.383 9.481 -7.554 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.510 11.062 -9.068 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.156 10.739 -9.605 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.214 9.969 -10.441 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.821 9.243 -7.923 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.507 8.137 -9.282 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -2.064 7.659 -7.626 1.00 0.00 H new ATOM 1332 N GLN B 26 0.858 4.914 -9.296 1.00 0.00 N ATOM 1333 CA GLN B 26 0.521 3.606 -9.867 1.00 0.00 C ATOM 1334 C GLN B 26 0.211 2.639 -8.745 1.00 0.00 C ATOM 1335 O GLN B 26 -0.714 1.834 -8.826 1.00 0.00 O ATOM 1336 CB GLN B 26 1.691 3.030 -10.664 1.00 0.00 C ATOM 1337 CG GLN B 26 1.548 3.321 -12.163 1.00 0.00 C ATOM 1338 CD GLN B 26 2.760 2.772 -12.904 1.00 0.00 C ATOM 1339 OE1 GLN B 26 2.908 2.992 -14.105 1.00 0.00 O ATOM 1340 NE2 GLN B 26 3.637 2.055 -12.257 1.00 0.00 N ATOM 0 H GLN B 26 1.814 5.227 -9.466 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.336 3.740 -10.527 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.626 3.454 -10.298 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.746 1.953 -10.505 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.636 2.865 -12.548 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.462 4.395 -12.329 1.00 0.00 H new ATOM 0 HE21 GLN B 26 3.513 1.874 -11.261 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.447 1.676 -12.747 1.00 0.00 H new ATOM 1349 N VAL B 27 1.007 2.744 -7.692 1.00 0.00 N ATOM 1350 CA VAL B 27 0.844 1.901 -6.528 1.00 0.00 C ATOM 1351 C VAL B 27 -0.477 2.212 -5.883 1.00 0.00 C ATOM 1352 O VAL B 27 -1.240 1.312 -5.554 1.00 0.00 O ATOM 1353 CB VAL B 27 2.022 2.110 -5.577 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.768 1.416 -4.227 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.262 1.513 -6.249 1.00 0.00 C ATOM 0 H VAL B 27 1.776 3.411 -7.624 1.00 0.00 H new ATOM 0 HA VAL B 27 0.839 0.848 -6.809 1.00 0.00 H new ATOM 0 HB VAL B 27 2.159 3.173 -5.377 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.621 1.579 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.870 1.830 -3.768 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.633 0.346 -4.387 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.127 1.643 -5.598 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.101 0.450 -6.431 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.442 2.020 -7.197 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.765 3.495 -5.776 1.00 0.00 N ATOM 1366 CA VAL B 28 -2.028 3.933 -5.245 1.00 0.00 C ATOM 1367 C VAL B 28 -3.139 3.400 -6.156 1.00 0.00 C ATOM 1368 O VAL B 28 -4.217 3.047 -5.693 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.062 5.466 -5.175 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.436 5.917 -4.683 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.974 5.972 -4.207 1.00 0.00 C ATOM 0 H VAL B 28 -0.136 4.249 -6.052 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.172 3.552 -4.234 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.874 5.877 -6.167 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.465 7.005 -4.632 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.203 5.566 -5.373 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.622 5.502 -3.692 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.004 7.061 -4.163 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.153 5.563 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.006 5.650 -4.561 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.844 3.326 -7.459 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.796 2.821 -8.438 1.00 0.00 C ATOM 1383 C ALA B 29 -4.175 1.396 -8.083 1.00 0.00 C ATOM 1384 O ALA B 29 -5.353 1.028 -8.107 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.165 2.846 -9.840 1.00 0.00 C ATOM 0 H ALA B 29 -1.948 3.612 -7.855 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.686 3.451 -8.432 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.882 2.467 -10.568 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.892 3.869 -10.098 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.273 2.219 -9.849 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.161 0.601 -7.742 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.373 -0.763 -7.379 1.00 0.00 C ATOM 1393 C PHE B 30 -4.004 -0.855 -5.987 1.00 0.00 C ATOM 1394 O PHE B 30 -4.970 -1.586 -5.802 1.00 0.00 O ATOM 1395 CB PHE B 30 -2.027 -1.502 -7.460 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.533 -1.490 -8.909 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.343 -1.980 -9.961 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.272 -0.939 -9.217 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.891 -1.910 -11.276 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.166 -0.885 -10.536 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.642 -1.365 -11.566 1.00 0.00 C ATOM 0 H PHE B 30 -2.186 0.899 -7.716 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.072 -1.237 -8.067 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.295 -1.022 -6.810 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.140 -2.528 -7.110 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.311 -2.408 -9.744 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.356 -0.557 -8.426 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.513 -2.281 -12.077 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.137 -0.469 -10.763 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.300 -1.314 -12.589 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.488 -0.081 -5.022 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.042 -0.092 -3.662 1.00 0.00 C ATOM 1413 C ILE B 31 -5.521 0.289 -3.694 1.00 0.00 C ATOM 1414 O ILE B 31 -6.367 -0.393 -3.115 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.273 0.894 -2.767 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.804 0.453 -2.635 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.909 0.927 -1.370 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -0.985 1.597 -2.030 1.00 0.00 C ATOM 0 H ILE B 31 -2.699 0.552 -5.155 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.940 -1.097 -3.253 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.317 1.885 -3.219 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.734 -0.433 -2.004 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.405 0.181 -3.612 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.362 1.626 -0.738 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -4.948 1.247 -1.451 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.869 -0.069 -0.928 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.056 1.288 -1.935 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.047 2.471 -2.678 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.381 1.847 -1.046 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.815 1.373 -4.395 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.179 1.855 -4.537 1.00 0.00 C ATOM 1432 C ASN B 32 -8.064 0.807 -5.211 1.00 0.00 C ATOM 1433 O ASN B 32 -9.267 0.754 -4.957 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.180 3.137 -5.371 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.546 3.809 -5.339 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.306 3.663 -4.380 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -8.895 4.548 -6.346 1.00 0.00 N ATOM 0 H ASN B 32 -5.119 1.940 -4.879 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.580 2.055 -3.543 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.424 3.824 -4.990 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -6.909 2.905 -6.401 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.803 5.012 -6.347 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -8.261 4.665 -7.137 1.00 0.00 H new ATOM 1444 N SER B 33 -7.467 -0.030 -6.066 1.00 0.00 N ATOM 1445 CA SER B 33 -8.214 -1.055 -6.748 1.00 0.00 C ATOM 1446 C SER B 33 -8.496 -2.205 -5.793 1.00 0.00 C ATOM 1447 O SER B 33 -9.519 -2.872 -5.917 1.00 0.00 O ATOM 1448 CB SER B 33 -7.485 -1.491 -8.003 1.00 0.00 C ATOM 1449 OG SER B 33 -7.795 -0.593 -9.060 1.00 0.00 O ATOM 0 H SER B 33 -6.473 -0.007 -6.292 1.00 0.00 H new ATOM 0 HA SER B 33 -9.178 -0.662 -7.071 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.410 -1.506 -7.826 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.778 -2.505 -8.274 1.00 0.00 H new ATOM 0 HG SER B 33 -7.138 0.134 -9.074 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.609 -2.411 -4.805 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.855 -3.458 -3.815 1.00 0.00 C ATOM 1457 C LEU B 34 -9.125 -3.052 -3.074 1.00 0.00 C ATOM 1458 O LEU B 34 -10.022 -3.864 -2.858 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.704 -3.598 -2.803 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.337 -3.467 -3.487 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.221 -3.768 -2.503 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.231 -4.434 -4.639 1.00 0.00 C ATOM 0 H LEU B 34 -6.745 -1.884 -4.676 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.945 -4.421 -4.318 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.801 -2.834 -2.032 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.772 -4.565 -2.304 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.242 -2.444 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.258 -3.671 -3.004 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.270 -3.065 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.333 -4.785 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.256 -4.329 -5.114 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.347 -5.453 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.014 -4.220 -5.367 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.200 -1.752 -2.740 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.395 -1.198 -2.081 1.00 0.00 C ATOM 1476 C ARG B 35 -11.610 -1.445 -2.967 1.00 0.00 C ATOM 1477 O ARG B 35 -12.678 -1.839 -2.495 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.262 0.324 -1.865 1.00 0.00 C ATOM 1479 CG ARG B 35 -9.280 0.625 -0.734 1.00 0.00 C ATOM 1480 CD ARG B 35 -9.292 2.108 -0.380 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.898 2.294 1.020 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.405 3.282 1.748 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -8.842 4.457 1.740 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -10.470 3.078 2.469 1.00 0.00 N ATOM 0 H ARG B 35 -8.458 -1.073 -2.913 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.504 -1.686 -1.113 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.921 0.799 -2.785 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -11.237 0.750 -1.629 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -9.541 0.036 0.145 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -8.275 0.327 -1.031 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.610 2.652 -1.033 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -10.287 2.521 -0.544 1.00 0.00 H new ATOM 0 HE ARG B 35 -8.224 1.655 1.441 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.010 4.620 1.173 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -9.234 5.214 2.300 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -10.914 2.160 2.474 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -10.860 3.836 3.029 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.410 -1.212 -4.262 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.454 -1.403 -5.261 1.00 0.00 C ATOM 1500 C ASP B 36 -12.841 -2.879 -5.361 1.00 0.00 C ATOM 1501 O ASP B 36 -14.008 -3.211 -5.573 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.944 -0.895 -6.621 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.670 0.619 -6.588 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -12.209 1.299 -5.725 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.919 1.078 -7.433 1.00 0.00 O ATOM 0 H ASP B 36 -10.523 -0.887 -4.646 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.340 -0.841 -4.967 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.031 -1.426 -6.890 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.681 -1.116 -7.393 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.843 -3.752 -5.206 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.059 -5.198 -5.280 1.00 0.00 C ATOM 1512 C ASP B 37 -10.962 -5.947 -4.533 1.00 0.00 C ATOM 1513 O ASP B 37 -9.896 -6.234 -5.088 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.095 -5.661 -6.746 1.00 0.00 C ATOM 1515 CG ASP B 37 -13.538 -5.862 -7.204 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -14.087 -6.915 -6.919 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -14.072 -4.964 -7.833 1.00 0.00 O ATOM 0 H ASP B 37 -10.876 -3.482 -5.028 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.018 -5.420 -4.811 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.605 -4.922 -7.380 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -11.539 -6.592 -6.854 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.212 -6.280 -3.290 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.240 -7.030 -2.458 1.00 0.00 C ATOM 1524 C PRO B 38 -10.094 -8.471 -2.935 1.00 0.00 C ATOM 1525 O PRO B 38 -9.055 -9.101 -2.731 1.00 0.00 O ATOM 1526 CB PRO B 38 -10.812 -6.980 -1.042 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.082 -6.189 -1.089 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.449 -5.981 -2.552 1.00 0.00 C ATOM 0 HA PRO B 38 -9.242 -6.596 -2.515 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.003 -7.987 -0.671 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.100 -6.518 -0.358 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -12.880 -6.717 -0.567 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -11.953 -5.230 -0.588 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.261 -6.642 -2.855 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.783 -4.960 -2.736 1.00 0.00 H new ATOM 1536 N SER B 39 -11.144 -8.974 -3.588 1.00 0.00 N ATOM 1537 CA SER B 39 -11.136 -10.330 -4.116 1.00 0.00 C ATOM 1538 C SER B 39 -10.111 -10.422 -5.231 1.00 0.00 C ATOM 1539 O SER B 39 -9.368 -11.400 -5.330 1.00 0.00 O ATOM 1540 CB SER B 39 -12.527 -10.696 -4.644 1.00 0.00 C ATOM 1541 OG SER B 39 -13.476 -10.560 -3.595 1.00 0.00 O ATOM 0 H SER B 39 -12.007 -8.459 -3.761 1.00 0.00 H new ATOM 0 HA SER B 39 -10.873 -11.030 -3.323 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.794 -10.048 -5.479 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.528 -11.719 -5.021 1.00 0.00 H new ATOM 0 HG SER B 39 -14.368 -10.792 -3.929 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.067 -9.371 -6.056 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.122 -9.302 -7.153 1.00 0.00 C ATOM 1549 C GLN B 40 -7.934 -8.444 -6.758 1.00 0.00 C ATOM 1550 O GLN B 40 -7.231 -7.928 -7.621 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.762 -8.754 -8.445 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.295 -8.872 -8.416 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.718 -10.300 -8.752 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.881 -10.641 -9.923 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -11.896 -11.163 -7.791 1.00 0.00 N ATOM 0 H GLN B 40 -10.680 -8.560 -5.977 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.791 -10.319 -7.362 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.480 -7.709 -8.576 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.371 -9.299 -9.304 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.670 -8.596 -7.431 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.735 -8.177 -9.131 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -11.761 -10.880 -6.820 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -12.170 -12.121 -8.010 1.00 0.00 H new ATOM 1564 N SER B 41 -7.695 -8.302 -5.448 1.00 0.00 N ATOM 1565 CA SER B 41 -6.566 -7.515 -4.983 1.00 0.00 C ATOM 1566 C SER B 41 -5.289 -8.043 -5.623 1.00 0.00 C ATOM 1567 O SER B 41 -4.365 -7.296 -5.938 1.00 0.00 O ATOM 1568 CB SER B 41 -6.469 -7.626 -3.453 1.00 0.00 C ATOM 1569 OG SER B 41 -5.262 -7.033 -2.992 1.00 0.00 O ATOM 0 H SER B 41 -8.262 -8.717 -4.709 1.00 0.00 H new ATOM 0 HA SER B 41 -6.701 -6.470 -5.261 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.324 -7.133 -2.991 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.505 -8.674 -3.154 1.00 0.00 H new ATOM 0 HG SER B 41 -5.472 -6.299 -2.378 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.293 -9.344 -5.826 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.195 -10.054 -6.454 1.00 0.00 C ATOM 1577 C ALA B 42 -4.156 -9.779 -7.960 1.00 0.00 C ATOM 1578 O ALA B 42 -3.110 -9.903 -8.590 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.397 -11.550 -6.229 1.00 0.00 C ATOM 0 H ALA B 42 -6.069 -9.948 -5.556 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.256 -9.716 -6.016 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.580 -12.102 -6.695 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.412 -11.758 -5.159 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.343 -11.860 -6.672 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.325 -9.445 -8.519 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.483 -9.190 -9.948 1.00 0.00 C ATOM 1587 C ASN B 43 -4.825 -7.901 -10.387 1.00 0.00 C ATOM 1588 O ASN B 43 -4.019 -7.890 -11.312 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.953 -9.098 -10.255 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.205 -9.301 -11.747 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.727 -10.337 -12.155 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -6.851 -8.370 -12.590 1.00 0.00 N ATOM 0 H ASN B 43 -6.189 -9.345 -7.987 1.00 0.00 H new ATOM 0 HA ASN B 43 -5.003 -10.008 -10.484 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.497 -9.850 -9.683 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.334 -8.125 -9.946 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -7.007 -8.501 -13.589 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.418 -7.511 -12.249 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.167 -6.810 -9.714 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.584 -5.546 -10.046 1.00 0.00 C ATOM 1601 C LEU B 44 -3.163 -5.554 -9.518 1.00 0.00 C ATOM 1602 O LEU B 44 -2.271 -4.933 -10.072 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.463 -4.352 -9.600 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.562 -4.153 -8.093 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.445 -5.220 -7.474 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.199 -4.110 -7.428 1.00 0.00 C ATOM 0 H LEU B 44 -5.838 -6.788 -8.946 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.537 -5.400 -11.125 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -5.065 -3.441 -10.046 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.468 -4.490 -10.000 1.00 0.00 H new ATOM 0 HG LEU B 44 -6.022 -3.180 -7.920 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.505 -5.063 -6.397 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.444 -5.161 -7.905 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -6.021 -6.204 -7.674 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.322 -3.967 -6.355 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.675 -5.048 -7.611 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.619 -3.284 -7.840 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.939 -6.343 -8.470 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.601 -6.503 -7.968 1.00 0.00 C ATOM 1620 C LEU B 45 -0.842 -7.179 -9.082 1.00 0.00 C ATOM 1621 O LEU B 45 0.308 -6.869 -9.361 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.589 -7.387 -6.732 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.154 -7.838 -6.431 1.00 0.00 C ATOM 1624 CD1 LEU B 45 -0.069 -8.240 -4.983 1.00 0.00 C ATOM 1625 CD2 LEU B 45 0.237 -9.028 -7.316 1.00 0.00 C ATOM 0 H LEU B 45 -3.657 -6.866 -7.969 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.164 -5.546 -7.682 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.995 -6.842 -5.880 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.228 -8.256 -6.889 1.00 0.00 H new ATOM 0 HG LEU B 45 0.531 -7.016 -6.638 1.00 0.00 H new ATOM 0 HD11 LEU B 45 0.946 -8.563 -4.754 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -0.330 -7.389 -4.353 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -0.762 -9.059 -4.791 1.00 0.00 H new ATOM 0 HD21 LEU B 45 1.258 -9.332 -7.086 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.441 -9.860 -7.127 1.00 0.00 H new ATOM 0 HD23 LEU B 45 0.172 -8.738 -8.365 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.551 -8.092 -9.741 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.997 -8.815 -10.872 1.00 0.00 C ATOM 1639 C ALA B 46 -0.600 -7.774 -11.901 1.00 0.00 C ATOM 1640 O ALA B 46 0.499 -7.804 -12.451 1.00 0.00 O ATOM 1641 CB ALA B 46 -2.047 -9.778 -11.456 1.00 0.00 C ATOM 0 H ALA B 46 -2.511 -8.346 -9.507 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.137 -9.414 -10.573 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.618 -10.313 -12.303 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.351 -10.493 -10.691 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.916 -9.211 -11.788 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.502 -6.806 -12.076 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.276 -5.683 -12.960 1.00 0.00 C ATOM 1649 C GLU B 47 -0.076 -4.891 -12.459 1.00 0.00 C ATOM 1650 O GLU B 47 0.649 -4.289 -13.244 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.504 -4.751 -12.991 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.723 -5.453 -13.569 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.418 -6.042 -14.950 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.024 -5.289 -15.827 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.567 -7.244 -15.105 1.00 0.00 O ATOM 0 H GLU B 47 -2.406 -6.787 -11.605 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.096 -6.064 -13.965 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.726 -4.407 -11.981 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.276 -3.867 -13.586 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.043 -6.247 -12.894 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.550 -4.747 -13.646 1.00 0.00 H new ATOM 1662 N ALA B 48 0.099 -4.878 -11.131 1.00 0.00 N ATOM 1663 CA ALA B 48 1.176 -4.143 -10.504 1.00 0.00 C ATOM 1664 C ALA B 48 2.507 -4.795 -10.755 1.00 0.00 C ATOM 1665 O ALA B 48 3.450 -4.150 -11.176 1.00 0.00 O ATOM 1666 CB ALA B 48 0.931 -4.155 -9.011 1.00 0.00 C ATOM 0 H ALA B 48 -0.503 -5.376 -10.476 1.00 0.00 H new ATOM 0 HA ALA B 48 1.198 -3.134 -10.915 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.728 -3.608 -8.507 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.027 -3.682 -8.796 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.916 -5.184 -8.653 1.00 0.00 H new ATOM 1672 N LYS B 49 2.561 -6.090 -10.518 1.00 0.00 N ATOM 1673 CA LYS B 49 3.774 -6.838 -10.746 1.00 0.00 C ATOM 1674 C LYS B 49 4.108 -6.742 -12.225 1.00 0.00 C ATOM 1675 O LYS B 49 5.260 -6.572 -12.604 1.00 0.00 O ATOM 1676 CB LYS B 49 3.569 -8.278 -10.284 1.00 0.00 C ATOM 1677 CG LYS B 49 3.567 -8.350 -8.754 1.00 0.00 C ATOM 1678 CD LYS B 49 3.683 -9.818 -8.309 1.00 0.00 C ATOM 1679 CE LYS B 49 2.540 -10.661 -8.897 1.00 0.00 C ATOM 1680 NZ LYS B 49 3.075 -11.533 -9.982 1.00 0.00 N ATOM 0 H LYS B 49 1.779 -6.643 -10.168 1.00 0.00 H new ATOM 0 HA LYS B 49 4.612 -6.436 -10.177 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.626 -8.662 -10.674 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.361 -8.912 -10.684 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.397 -7.770 -8.351 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.651 -7.911 -8.360 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.642 -10.225 -8.629 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.660 -9.875 -7.221 1.00 0.00 H new ATOM 0 HE2 LYS B 49 2.084 -11.271 -8.117 1.00 0.00 H new ATOM 0 HE3 LYS B 49 1.759 -10.011 -9.290 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 2.303 -12.104 -10.381 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 3.490 -10.941 -10.730 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 3.806 -12.162 -9.593 1.00 0.00 H new ATOM 1694 N LYS B 50 3.054 -6.775 -13.037 1.00 0.00 N ATOM 1695 CA LYS B 50 3.167 -6.624 -14.482 1.00 0.00 C ATOM 1696 C LYS B 50 3.639 -5.221 -14.831 1.00 0.00 C ATOM 1697 O LYS B 50 4.434 -5.042 -15.743 1.00 0.00 O ATOM 1698 CB LYS B 50 1.811 -6.849 -15.136 1.00 0.00 C ATOM 1699 CG LYS B 50 1.474 -8.349 -15.181 1.00 0.00 C ATOM 1700 CD LYS B 50 -0.035 -8.552 -15.429 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.482 -7.818 -16.701 1.00 0.00 C ATOM 1702 NZ LYS B 50 0.364 -8.243 -17.853 1.00 0.00 N ATOM 0 H LYS B 50 2.097 -6.907 -12.709 1.00 0.00 H new ATOM 0 HA LYS B 50 3.886 -7.358 -14.846 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.040 -6.314 -14.581 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.817 -6.442 -16.147 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.048 -8.834 -15.971 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.762 -8.822 -14.242 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -0.253 -9.616 -15.522 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -0.601 -8.184 -14.573 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -1.530 -8.035 -16.908 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.402 -6.740 -16.557 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -0.080 -7.936 -18.742 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 1.306 -7.811 -17.770 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 0.457 -9.279 -17.852 1.00 0.00 H new ATOM 1716 N LEU B 51 3.129 -4.228 -14.100 1.00 0.00 N ATOM 1717 CA LEU B 51 3.510 -2.841 -14.349 1.00 0.00 C ATOM 1718 C LEU B 51 4.937 -2.635 -13.934 1.00 0.00 C ATOM 1719 O LEU B 51 5.725 -2.008 -14.641 1.00 0.00 O ATOM 1720 CB LEU B 51 2.600 -1.878 -13.578 1.00 0.00 C ATOM 1721 CG LEU B 51 1.672 -1.157 -14.554 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.509 -0.248 -15.471 1.00 0.00 C ATOM 1723 CD2 LEU B 51 0.881 -2.187 -15.387 1.00 0.00 C ATOM 0 H LEU B 51 2.460 -4.358 -13.341 1.00 0.00 H new ATOM 0 HA LEU B 51 3.402 -2.634 -15.414 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.014 -2.427 -12.841 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.202 -1.153 -13.030 1.00 0.00 H new ATOM 0 HG LEU B 51 0.960 -0.545 -14.000 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.851 0.269 -16.170 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.044 0.485 -14.867 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.225 -0.853 -16.027 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.222 -1.665 -16.080 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.576 -2.812 -15.948 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.286 -2.813 -14.722 1.00 0.00 H new ATOM 1735 N ASN B 52 5.268 -3.217 -12.802 1.00 0.00 N ATOM 1736 CA ASN B 52 6.622 -3.157 -12.303 1.00 0.00 C ATOM 1737 C ASN B 52 7.499 -3.824 -13.331 1.00 0.00 C ATOM 1738 O ASN B 52 8.590 -3.353 -13.647 1.00 0.00 O ATOM 1739 CB ASN B 52 6.720 -3.876 -10.963 1.00 0.00 C ATOM 1740 CG ASN B 52 8.173 -3.977 -10.518 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.641 -3.185 -9.703 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.918 -4.911 -11.023 1.00 0.00 N ATOM 0 H ASN B 52 4.618 -3.736 -12.211 1.00 0.00 H new ATOM 0 HA ASN B 52 6.936 -2.126 -12.143 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.140 -3.339 -10.212 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.289 -4.874 -11.046 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.896 -4.990 -10.744 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.526 -5.566 -11.699 1.00 0.00 H new ATOM 1749 N ASP B 53 6.962 -4.907 -13.881 1.00 0.00 N ATOM 1750 CA ASP B 53 7.652 -5.642 -14.933 1.00 0.00 C ATOM 1751 C ASP B 53 7.726 -4.775 -16.188 1.00 0.00 C ATOM 1752 O ASP B 53 8.710 -4.807 -16.929 1.00 0.00 O ATOM 1753 CB ASP B 53 6.918 -6.956 -15.250 1.00 0.00 C ATOM 1754 CG ASP B 53 7.018 -7.957 -14.087 1.00 0.00 C ATOM 1755 OD1 ASP B 53 7.891 -7.800 -13.243 1.00 0.00 O ATOM 1756 OD2 ASP B 53 6.210 -8.872 -14.059 1.00 0.00 O ATOM 0 H ASP B 53 6.056 -5.294 -13.617 1.00 0.00 H new ATOM 0 HA ASP B 53 8.658 -5.885 -14.592 1.00 0.00 H new ATOM 0 HB2 ASP B 53 5.869 -6.746 -15.460 1.00 0.00 H new ATOM 0 HB3 ASP B 53 7.341 -7.401 -16.151 1.00 0.00 H new ATOM 1761 N ALA B 54 6.662 -4.000 -16.403 1.00 0.00 N ATOM 1762 CA ALA B 54 6.564 -3.109 -17.553 1.00 0.00 C ATOM 1763 C ALA B 54 7.607 -1.998 -17.468 1.00 0.00 C ATOM 1764 O ALA B 54 8.197 -1.610 -18.477 1.00 0.00 O ATOM 1765 CB ALA B 54 5.161 -2.503 -17.600 1.00 0.00 C ATOM 0 H ALA B 54 5.850 -3.974 -15.787 1.00 0.00 H new ATOM 0 HA ALA B 54 6.750 -3.682 -18.461 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.082 -1.836 -18.458 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.423 -3.300 -17.691 1.00 0.00 H new ATOM 0 HB3 ALA B 54 4.977 -1.941 -16.685 1.00 0.00 H new ATOM 1771 N GLN B 55 7.822 -1.495 -16.251 1.00 0.00 N ATOM 1772 CA GLN B 55 8.790 -0.429 -16.018 1.00 0.00 C ATOM 1773 C GLN B 55 10.160 -0.990 -15.648 1.00 0.00 C ATOM 1774 O GLN B 55 11.123 -0.236 -15.483 1.00 0.00 O ATOM 1775 CB GLN B 55 8.283 0.450 -14.893 1.00 0.00 C ATOM 1776 CG GLN B 55 6.991 1.148 -15.314 1.00 0.00 C ATOM 1777 CD GLN B 55 6.132 1.396 -14.087 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.809 2.540 -13.769 1.00 0.00 O ATOM 1779 NE2 GLN B 55 5.751 0.378 -13.368 1.00 0.00 N ATOM 0 H GLN B 55 7.336 -1.812 -15.412 1.00 0.00 H new ATOM 0 HA GLN B 55 8.902 0.148 -16.936 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.106 -0.152 -14.002 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.038 1.192 -14.632 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.219 2.092 -15.809 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.450 0.533 -16.033 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.023 -0.567 -13.638 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.181 0.527 -12.535 1.00 0.00 H new ATOM 1788 N ALA B 56 10.242 -2.314 -15.510 1.00 0.00 N ATOM 1789 CA ALA B 56 11.504 -2.966 -15.148 1.00 0.00 C ATOM 1790 C ALA B 56 12.553 -2.773 -16.230 1.00 0.00 C ATOM 1791 O ALA B 56 12.232 -2.395 -17.360 1.00 0.00 O ATOM 1792 CB ALA B 56 11.296 -4.463 -14.920 1.00 0.00 C ATOM 0 H ALA B 56 9.458 -2.952 -15.642 1.00 0.00 H new ATOM 0 HA ALA B 56 11.853 -2.502 -14.226 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.246 -4.926 -14.653 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.580 -4.612 -14.112 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.914 -4.920 -15.833 1.00 0.00 H new