USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 HIS : no HD1:sc= -0.243 X(o=0.83,f=0.98) USER MOD Set 1.2: A 80 SER OG : rot 100:sc= 1.08 USER MOD Set 2.1: A 36 HIS : no HE2:sc= -1.78! C(o=-3.4!,f=-15!) USER MOD Set 2.2: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 60 TYR OH : rot 159:sc= -1.62! USER MOD Set 3.1: A 28 MET CE :methyl 178:sc=-0.00809 (180deg=-0.0143) USER MOD Set 3.2: A 65 MET CE :methyl 175:sc= -1.41 (180deg=-1.74) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -118:sc= -0.115 USER MOD Single : A 18 SER OG : rot 180:sc= 0.291 USER MOD Single : A 20 GLN : amide:sc= -0.0234 K(o=-0.023,f=-1.7!) USER MOD Single : A 23 MET CE :methyl 154:sc= -0.167 (180deg=-1.28) USER MOD Single : A 31 SER OG : rot 180:sc=-0.00883 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 42 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.53) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -119:sc= -0.158 (180deg=-2.82!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 166:sc= -0.312 (180deg=-0.628) USER MOD Single : A 64 SER OG : rot -30:sc= 1.14 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0311 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.147 F(o=-1.1,f=-0.15) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 13 9.964 0.732 -9.019 1.00 0.00 N ATOM 2 CA LYS A 13 8.918 1.793 -8.927 1.00 0.00 C ATOM 3 C LYS A 13 7.595 1.171 -8.482 1.00 0.00 C ATOM 4 O LYS A 13 6.597 1.850 -8.335 1.00 0.00 O ATOM 5 CB LYS A 13 8.739 2.462 -10.292 1.00 0.00 C ATOM 6 CG LYS A 13 8.295 1.424 -11.325 1.00 0.00 C ATOM 7 CD LYS A 13 8.316 2.056 -12.718 1.00 0.00 C ATOM 8 CE LYS A 13 7.721 1.084 -13.738 1.00 0.00 C ATOM 9 NZ LYS A 13 7.759 1.708 -15.091 1.00 0.00 N ATOM 0 HA LYS A 13 9.228 2.542 -8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.998 3.259 -10.222 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.675 2.924 -10.606 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.957 0.559 -11.296 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.292 1.066 -11.090 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.747 2.986 -12.714 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.339 2.309 -12.997 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.283 0.150 -13.739 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.694 0.837 -13.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.355 1.050 -15.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.204 2.588 -15.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.744 1.922 -15.347 1.00 0.00 H new ATOM 23 N SER A 14 7.577 -0.116 -8.263 1.00 0.00 N ATOM 24 CA SER A 14 6.320 -0.781 -7.820 1.00 0.00 C ATOM 25 C SER A 14 6.130 -0.562 -6.319 1.00 0.00 C ATOM 26 O SER A 14 7.043 -0.179 -5.615 1.00 0.00 O ATOM 27 CB SER A 14 6.408 -2.283 -8.099 1.00 0.00 C ATOM 28 OG SER A 14 6.994 -2.490 -9.377 1.00 0.00 O ATOM 0 H SER A 14 8.380 -0.736 -8.372 1.00 0.00 H new ATOM 0 HA SER A 14 5.477 -0.356 -8.365 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.004 -2.773 -7.329 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.414 -2.730 -8.065 1.00 0.00 H new ATOM 0 HG SER A 14 7.053 -3.451 -9.558 1.00 0.00 H new ATOM 34 N ILE A 15 4.948 -0.821 -5.829 1.00 0.00 N ATOM 35 CA ILE A 15 4.668 -0.657 -4.371 1.00 0.00 C ATOM 36 C ILE A 15 4.001 -1.922 -3.851 1.00 0.00 C ATOM 37 O ILE A 15 3.056 -2.423 -4.427 1.00 0.00 O ATOM 38 CB ILE A 15 3.734 0.533 -4.148 1.00 0.00 C ATOM 39 CG1 ILE A 15 4.403 1.811 -4.661 1.00 0.00 C ATOM 40 CG2 ILE A 15 3.444 0.664 -2.652 1.00 0.00 C ATOM 41 CD1 ILE A 15 3.411 2.974 -4.600 1.00 0.00 C ATOM 0 H ILE A 15 4.154 -1.143 -6.383 1.00 0.00 H new ATOM 0 HA ILE A 15 5.604 -0.480 -3.841 1.00 0.00 H new ATOM 0 HB ILE A 15 2.800 0.378 -4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.283 2.039 -4.059 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.746 1.667 -5.685 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.778 1.510 -2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.969 -0.249 -2.292 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.378 0.824 -2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.891 3.881 -4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.545 2.746 -5.221 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.089 3.124 -3.569 1.00 0.00 H new ATOM 53 N TRP A 16 4.485 -2.441 -2.760 1.00 0.00 N ATOM 54 CA TRP A 16 3.889 -3.676 -2.175 1.00 0.00 C ATOM 55 C TRP A 16 3.874 -3.519 -0.651 1.00 0.00 C ATOM 56 O TRP A 16 4.862 -3.137 -0.052 1.00 0.00 O ATOM 57 CB TRP A 16 4.736 -4.885 -2.576 1.00 0.00 C ATOM 58 CG TRP A 16 4.844 -4.973 -4.066 1.00 0.00 C ATOM 59 CD1 TRP A 16 5.670 -4.225 -4.832 1.00 0.00 C ATOM 60 CD2 TRP A 16 4.134 -5.863 -4.978 1.00 0.00 C ATOM 61 NE1 TRP A 16 5.509 -4.594 -6.155 1.00 0.00 N ATOM 62 CE2 TRP A 16 4.576 -5.599 -6.296 1.00 0.00 C ATOM 63 CE3 TRP A 16 3.158 -6.863 -4.796 1.00 0.00 C ATOM 64 CZ2 TRP A 16 4.071 -6.301 -7.391 1.00 0.00 C ATOM 65 CZ3 TRP A 16 2.650 -7.570 -5.895 1.00 0.00 C ATOM 66 CH2 TRP A 16 3.105 -7.291 -7.189 1.00 0.00 C ATOM 0 H TRP A 16 5.276 -2.060 -2.242 1.00 0.00 H new ATOM 0 HA TRP A 16 2.873 -3.827 -2.541 1.00 0.00 H new ATOM 0 HB2 TRP A 16 5.730 -4.803 -2.137 1.00 0.00 H new ATOM 0 HB3 TRP A 16 4.288 -5.798 -2.183 1.00 0.00 H new ATOM 0 HD1 TRP A 16 6.345 -3.464 -4.470 1.00 0.00 H new ATOM 0 HE1 TRP A 16 6.019 -4.174 -6.932 1.00 0.00 H new ATOM 0 HE3 TRP A 16 2.799 -7.087 -3.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 4.424 -6.081 -8.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 1.903 -8.335 -5.742 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.710 -7.840 -8.031 1.00 0.00 H new ATOM 77 N CYS A 17 2.753 -3.780 -0.017 1.00 0.00 N ATOM 78 CA CYS A 17 2.661 -3.611 1.473 1.00 0.00 C ATOM 79 C CYS A 17 1.951 -4.812 2.118 1.00 0.00 C ATOM 80 O CYS A 17 1.095 -5.438 1.522 1.00 0.00 O ATOM 81 CB CYS A 17 1.865 -2.335 1.772 1.00 0.00 C ATOM 82 SG CYS A 17 2.755 -0.897 1.123 1.00 0.00 S ATOM 0 H CYS A 17 1.896 -4.103 -0.467 1.00 0.00 H new ATOM 0 HA CYS A 17 3.668 -3.543 1.886 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.875 -2.397 1.319 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.718 -2.230 2.847 1.00 0.00 H new ATOM 0 HG CYS A 17 3.063 -0.099 2.102 1.00 0.00 H new ATOM 88 N SER A 18 2.297 -5.127 3.341 1.00 0.00 N ATOM 89 CA SER A 18 1.642 -6.273 4.043 1.00 0.00 C ATOM 90 C SER A 18 0.232 -5.860 4.472 1.00 0.00 C ATOM 91 O SER A 18 -0.091 -4.688 4.517 1.00 0.00 O ATOM 92 CB SER A 18 2.479 -6.666 5.275 1.00 0.00 C ATOM 93 OG SER A 18 1.705 -6.515 6.461 1.00 0.00 O ATOM 0 H SER A 18 3.008 -4.638 3.885 1.00 0.00 H new ATOM 0 HA SER A 18 1.576 -7.130 3.373 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.817 -7.698 5.181 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.371 -6.043 5.332 1.00 0.00 H new ATOM 0 HG SER A 18 2.245 -6.769 7.239 1.00 0.00 H new ATOM 99 N PRO A 19 -0.607 -6.814 4.782 1.00 0.00 N ATOM 100 CA PRO A 19 -2.001 -6.529 5.207 1.00 0.00 C ATOM 101 C PRO A 19 -2.043 -5.722 6.507 1.00 0.00 C ATOM 102 O PRO A 19 -2.963 -4.966 6.739 1.00 0.00 O ATOM 103 CB PRO A 19 -2.641 -7.918 5.387 1.00 0.00 C ATOM 104 CG PRO A 19 -1.492 -8.863 5.548 1.00 0.00 C ATOM 105 CD PRO A 19 -0.324 -8.259 4.764 1.00 0.00 C ATOM 0 HA PRO A 19 -2.534 -5.920 4.476 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.294 -7.940 6.259 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.252 -8.185 4.525 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.233 -8.984 6.600 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.746 -9.852 5.167 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.634 -8.486 5.232 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.281 -8.647 3.746 1.00 0.00 H new ATOM 113 N GLN A 20 -1.051 -5.848 7.348 1.00 0.00 N ATOM 114 CA GLN A 20 -1.068 -5.058 8.604 1.00 0.00 C ATOM 115 C GLN A 20 -1.103 -3.584 8.234 1.00 0.00 C ATOM 116 O GLN A 20 -1.842 -2.810 8.808 1.00 0.00 O ATOM 117 CB GLN A 20 0.188 -5.352 9.421 1.00 0.00 C ATOM 118 CG GLN A 20 0.118 -6.774 9.976 1.00 0.00 C ATOM 119 CD GLN A 20 1.445 -7.113 10.660 1.00 0.00 C ATOM 120 OE1 GLN A 20 2.465 -6.532 10.343 1.00 0.00 O ATOM 121 NE2 GLN A 20 1.481 -8.026 11.590 1.00 0.00 N ATOM 0 H GLN A 20 -0.242 -6.456 7.219 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.941 -5.321 9.201 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.075 -5.238 8.797 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.278 -4.636 10.238 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.704 -6.860 10.687 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.082 -7.482 9.171 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.627 -8.515 11.858 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.363 -8.251 12.050 1.00 0.00 H new ATOM 130 N GLU A 21 -0.340 -3.187 7.252 1.00 0.00 N ATOM 131 CA GLU A 21 -0.384 -1.763 6.841 1.00 0.00 C ATOM 132 C GLU A 21 -1.807 -1.455 6.396 1.00 0.00 C ATOM 133 O GLU A 21 -2.355 -0.412 6.695 1.00 0.00 O ATOM 134 CB GLU A 21 0.585 -1.516 5.681 1.00 0.00 C ATOM 135 CG GLU A 21 2.026 -1.612 6.189 1.00 0.00 C ATOM 136 CD GLU A 21 2.994 -1.273 5.053 1.00 0.00 C ATOM 137 OE1 GLU A 21 2.605 -0.523 4.173 1.00 0.00 O ATOM 138 OE2 GLU A 21 4.108 -1.768 5.083 1.00 0.00 O ATOM 0 H GLU A 21 0.302 -3.780 6.726 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.091 -1.121 7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.417 -2.248 4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.406 -0.532 5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.175 -0.927 7.024 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.225 -2.617 6.562 1.00 0.00 H new ATOM 145 N ILE A 22 -2.420 -2.369 5.692 1.00 0.00 N ATOM 146 CA ILE A 22 -3.817 -2.133 5.245 1.00 0.00 C ATOM 147 C ILE A 22 -4.746 -2.169 6.460 1.00 0.00 C ATOM 148 O ILE A 22 -5.595 -1.316 6.618 1.00 0.00 O ATOM 149 CB ILE A 22 -4.242 -3.201 4.229 1.00 0.00 C ATOM 150 CG1 ILE A 22 -3.408 -3.038 2.951 1.00 0.00 C ATOM 151 CG2 ILE A 22 -5.728 -3.018 3.903 1.00 0.00 C ATOM 152 CD1 ILE A 22 -3.682 -4.202 1.995 1.00 0.00 C ATOM 0 H ILE A 22 -2.015 -3.262 5.410 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.879 -1.157 4.764 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.081 -4.196 4.643 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.652 -2.093 2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.348 -3.004 3.201 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.038 -3.774 3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.316 -3.124 4.815 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.888 -2.026 3.481 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.086 -4.078 1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.415 -5.141 2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.740 -4.216 1.733 1.00 0.00 H new ATOM 164 N MET A 23 -4.604 -3.145 7.323 1.00 0.00 N ATOM 165 CA MET A 23 -5.492 -3.221 8.519 1.00 0.00 C ATOM 166 C MET A 23 -5.576 -1.858 9.200 1.00 0.00 C ATOM 167 O MET A 23 -6.539 -1.556 9.873 1.00 0.00 O ATOM 168 CB MET A 23 -4.922 -4.234 9.516 1.00 0.00 C ATOM 169 CG MET A 23 -5.113 -5.656 8.990 1.00 0.00 C ATOM 170 SD MET A 23 -4.191 -6.802 10.043 1.00 0.00 S ATOM 171 CE MET A 23 -5.117 -6.505 11.568 1.00 0.00 C ATOM 0 H MET A 23 -3.912 -3.890 7.249 1.00 0.00 H new ATOM 0 HA MET A 23 -6.487 -3.529 8.197 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.862 -4.038 9.679 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.418 -4.125 10.480 1.00 0.00 H new ATOM 0 HG2 MET A 23 -6.171 -5.917 8.986 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.763 -5.727 7.960 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.055 -7.385 12.209 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.694 -5.646 12.089 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.161 -6.305 11.327 1.00 0.00 H new ATOM 181 N ALA A 24 -4.580 -1.028 9.041 1.00 0.00 N ATOM 182 CA ALA A 24 -4.627 0.307 9.698 1.00 0.00 C ATOM 183 C ALA A 24 -5.506 1.247 8.871 1.00 0.00 C ATOM 184 O ALA A 24 -5.809 2.348 9.284 1.00 0.00 O ATOM 185 CB ALA A 24 -3.214 0.886 9.792 1.00 0.00 C ATOM 0 H ALA A 24 -3.743 -1.216 8.489 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.042 0.202 10.701 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.252 1.863 10.273 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.585 0.217 10.379 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.796 0.991 8.791 1.00 0.00 H new ATOM 191 N ALA A 25 -5.917 0.827 7.702 1.00 0.00 N ATOM 192 CA ALA A 25 -6.775 1.702 6.853 1.00 0.00 C ATOM 193 C ALA A 25 -8.236 1.555 7.266 1.00 0.00 C ATOM 194 O ALA A 25 -8.815 0.490 7.170 1.00 0.00 O ATOM 195 CB ALA A 25 -6.635 1.286 5.389 1.00 0.00 C ATOM 0 H ALA A 25 -5.695 -0.084 7.300 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.460 2.738 6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.262 1.925 4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.595 1.387 5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.948 0.248 5.274 1.00 0.00 H new ATOM 201 N ASP A 26 -8.845 2.619 7.703 1.00 0.00 N ATOM 202 CA ASP A 26 -10.276 2.541 8.096 1.00 0.00 C ATOM 203 C ASP A 26 -11.084 2.125 6.869 1.00 0.00 C ATOM 204 O ASP A 26 -12.001 1.338 6.952 1.00 0.00 O ATOM 205 CB ASP A 26 -10.753 3.904 8.594 1.00 0.00 C ATOM 206 CG ASP A 26 -10.076 4.218 9.929 1.00 0.00 C ATOM 207 OD1 ASP A 26 -9.570 3.296 10.545 1.00 0.00 O ATOM 208 OD2 ASP A 26 -10.073 5.376 10.309 1.00 0.00 O ATOM 0 H ASP A 26 -8.414 3.538 7.805 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.407 1.814 8.898 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.515 4.676 7.862 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.836 3.902 8.714 1.00 0.00 H new ATOM 213 N GLY A 27 -10.737 2.652 5.726 1.00 0.00 N ATOM 214 CA GLY A 27 -11.469 2.294 4.479 1.00 0.00 C ATOM 215 C GLY A 27 -11.484 0.772 4.311 1.00 0.00 C ATOM 216 O GLY A 27 -12.260 0.237 3.549 1.00 0.00 O ATOM 0 H GLY A 27 -9.974 3.318 5.603 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.489 2.675 4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.990 2.760 3.618 1.00 0.00 H new ATOM 220 N MET A 28 -10.630 0.074 5.020 1.00 0.00 N ATOM 221 CA MET A 28 -10.583 -1.419 4.916 1.00 0.00 C ATOM 222 C MET A 28 -10.622 -2.009 6.333 1.00 0.00 C ATOM 223 O MET A 28 -9.602 -2.379 6.876 1.00 0.00 O ATOM 224 CB MET A 28 -9.277 -1.829 4.225 1.00 0.00 C ATOM 225 CG MET A 28 -9.064 -0.973 2.968 1.00 0.00 C ATOM 226 SD MET A 28 -7.984 -1.852 1.812 1.00 0.00 S ATOM 227 CE MET A 28 -8.467 -0.949 0.321 1.00 0.00 C ATOM 0 H MET A 28 -9.958 0.478 5.672 1.00 0.00 H new ATOM 0 HA MET A 28 -11.431 -1.787 4.338 1.00 0.00 H new ATOM 0 HB2 MET A 28 -8.438 -1.703 4.909 1.00 0.00 H new ATOM 0 HB3 MET A 28 -9.313 -2.885 3.956 1.00 0.00 H new ATOM 0 HG2 MET A 28 -10.022 -0.759 2.495 1.00 0.00 H new ATOM 0 HG3 MET A 28 -8.621 -0.015 3.239 1.00 0.00 H new ATOM 0 HE1 MET A 28 -7.886 -1.311 -0.528 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.528 -1.107 0.128 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.278 0.115 0.463 1.00 0.00 H new ATOM 237 N PRO A 29 -11.786 -2.077 6.944 1.00 0.00 N ATOM 238 CA PRO A 29 -11.941 -2.612 8.334 1.00 0.00 C ATOM 239 C PRO A 29 -11.949 -4.140 8.385 1.00 0.00 C ATOM 240 O PRO A 29 -12.008 -4.804 7.372 1.00 0.00 O ATOM 241 CB PRO A 29 -13.308 -2.076 8.750 1.00 0.00 C ATOM 242 CG PRO A 29 -14.084 -2.082 7.478 1.00 0.00 C ATOM 243 CD PRO A 29 -13.094 -1.657 6.391 1.00 0.00 C ATOM 0 HA PRO A 29 -11.115 -2.311 8.978 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.773 -2.707 9.507 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.235 -1.073 9.171 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.492 -3.072 7.272 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.928 -1.394 7.530 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.305 -2.146 5.440 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.129 -0.582 6.212 1.00 0.00 H new ATOM 251 N GLY A 30 -11.889 -4.700 9.569 1.00 0.00 N ATOM 252 CA GLY A 30 -11.893 -6.186 9.709 1.00 0.00 C ATOM 253 C GLY A 30 -10.470 -6.658 9.986 1.00 0.00 C ATOM 254 O GLY A 30 -9.514 -5.968 9.691 1.00 0.00 O ATOM 0 H GLY A 30 -11.837 -4.186 10.449 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.555 -6.487 10.521 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.274 -6.650 8.799 1.00 0.00 H new ATOM 258 N SER A 31 -10.310 -7.820 10.555 1.00 0.00 N ATOM 259 CA SER A 31 -8.938 -8.315 10.851 1.00 0.00 C ATOM 260 C SER A 31 -8.253 -8.676 9.535 1.00 0.00 C ATOM 261 O SER A 31 -8.707 -8.302 8.471 1.00 0.00 O ATOM 262 CB SER A 31 -9.027 -9.553 11.755 1.00 0.00 C ATOM 263 OG SER A 31 -9.345 -10.693 10.968 1.00 0.00 O ATOM 0 H SER A 31 -11.068 -8.446 10.827 1.00 0.00 H new ATOM 0 HA SER A 31 -8.362 -7.545 11.363 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.080 -9.708 12.272 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.788 -9.403 12.521 1.00 0.00 H new ATOM 0 HG SER A 31 -9.400 -11.484 11.545 1.00 0.00 H new ATOM 269 N VAL A 32 -7.158 -9.378 9.583 1.00 0.00 N ATOM 270 CA VAL A 32 -6.462 -9.721 8.315 1.00 0.00 C ATOM 271 C VAL A 32 -7.444 -10.441 7.389 1.00 0.00 C ATOM 272 O VAL A 32 -7.571 -10.102 6.230 1.00 0.00 O ATOM 273 CB VAL A 32 -5.266 -10.632 8.606 1.00 0.00 C ATOM 274 CG1 VAL A 32 -4.527 -10.921 7.298 1.00 0.00 C ATOM 275 CG2 VAL A 32 -4.314 -9.942 9.592 1.00 0.00 C ATOM 0 H VAL A 32 -6.719 -9.726 10.435 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.103 -8.810 7.837 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.618 -11.566 9.045 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.674 -11.569 7.498 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.203 -11.415 6.600 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.177 -9.985 6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.465 -10.595 9.795 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.958 -9.007 9.160 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.842 -9.733 10.522 1.00 0.00 H new ATOM 285 N ALA A 33 -8.147 -11.425 7.885 1.00 0.00 N ATOM 286 CA ALA A 33 -9.121 -12.155 7.022 1.00 0.00 C ATOM 287 C ALA A 33 -10.174 -11.175 6.495 1.00 0.00 C ATOM 288 O ALA A 33 -10.601 -11.258 5.362 1.00 0.00 O ATOM 289 CB ALA A 33 -9.809 -13.242 7.850 1.00 0.00 C ATOM 0 H ALA A 33 -8.089 -11.754 8.849 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.596 -12.609 6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.522 -13.779 7.225 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.061 -13.939 8.228 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.334 -12.783 8.688 1.00 0.00 H new ATOM 295 N GLY A 34 -10.607 -10.251 7.308 1.00 0.00 N ATOM 296 CA GLY A 34 -11.640 -9.281 6.840 1.00 0.00 C ATOM 297 C GLY A 34 -11.126 -8.531 5.603 1.00 0.00 C ATOM 298 O GLY A 34 -11.850 -8.318 4.647 1.00 0.00 O ATOM 0 H GLY A 34 -10.293 -10.125 8.270 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.564 -9.807 6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.874 -8.573 7.635 1.00 0.00 H new ATOM 302 N VAL A 35 -9.879 -8.147 5.597 1.00 0.00 N ATOM 303 CA VAL A 35 -9.334 -7.440 4.406 1.00 0.00 C ATOM 304 C VAL A 35 -9.401 -8.403 3.216 1.00 0.00 C ATOM 305 O VAL A 35 -9.772 -8.038 2.117 1.00 0.00 O ATOM 306 CB VAL A 35 -7.875 -7.045 4.677 1.00 0.00 C ATOM 307 CG1 VAL A 35 -7.195 -6.621 3.370 1.00 0.00 C ATOM 308 CG2 VAL A 35 -7.850 -5.881 5.675 1.00 0.00 C ATOM 0 H VAL A 35 -9.218 -8.291 6.361 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.909 -6.539 4.193 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.338 -7.898 5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.161 -6.343 3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.216 -7.450 2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.724 -5.768 2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.817 -5.594 5.873 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.389 -5.031 5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.326 -6.190 6.606 1.00 0.00 H new ATOM 318 N HIS A 36 -9.053 -9.637 3.445 1.00 0.00 N ATOM 319 CA HIS A 36 -9.095 -10.651 2.357 1.00 0.00 C ATOM 320 C HIS A 36 -10.527 -10.790 1.832 1.00 0.00 C ATOM 321 O HIS A 36 -10.743 -11.085 0.674 1.00 0.00 O ATOM 322 CB HIS A 36 -8.611 -11.994 2.904 1.00 0.00 C ATOM 323 CG HIS A 36 -7.124 -11.945 3.115 1.00 0.00 C ATOM 324 ND1 HIS A 36 -6.527 -11.064 4.004 1.00 0.00 N ATOM 325 CD2 HIS A 36 -6.102 -12.669 2.563 1.00 0.00 C ATOM 326 CE1 HIS A 36 -5.199 -11.280 3.956 1.00 0.00 C ATOM 327 NE2 HIS A 36 -4.887 -12.251 3.095 1.00 0.00 N ATOM 0 H HIS A 36 -8.738 -9.990 4.349 1.00 0.00 H new ATOM 0 HA HIS A 36 -8.448 -10.335 1.539 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.115 -12.218 3.844 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -8.864 -12.794 2.208 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.006 -10.378 4.587 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.221 -13.448 1.825 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.475 -10.734 4.542 1.00 0.00 H new ATOM 335 N TYR A 37 -11.509 -10.588 2.670 1.00 0.00 N ATOM 336 CA TYR A 37 -12.918 -10.720 2.199 1.00 0.00 C ATOM 337 C TYR A 37 -13.161 -9.718 1.066 1.00 0.00 C ATOM 338 O TYR A 37 -13.655 -10.075 0.017 1.00 0.00 O ATOM 339 CB TYR A 37 -13.876 -10.426 3.357 1.00 0.00 C ATOM 340 CG TYR A 37 -15.306 -10.514 2.876 1.00 0.00 C ATOM 341 CD1 TYR A 37 -15.904 -9.404 2.264 1.00 0.00 C ATOM 342 CD2 TYR A 37 -16.034 -11.700 3.037 1.00 0.00 C ATOM 343 CE1 TYR A 37 -17.229 -9.479 1.816 1.00 0.00 C ATOM 344 CE2 TYR A 37 -17.361 -11.773 2.589 1.00 0.00 C ATOM 345 CZ TYR A 37 -17.957 -10.661 1.979 1.00 0.00 C ATOM 346 OH TYR A 37 -19.264 -10.733 1.538 1.00 0.00 O ATOM 0 H TYR A 37 -11.398 -10.339 3.653 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.092 -11.734 1.838 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.711 -11.137 4.167 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.679 -9.433 3.760 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -15.343 -8.490 2.138 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.574 -12.557 3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -17.688 -8.623 1.344 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -17.924 -12.686 2.714 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.624 -11.625 1.727 1.00 0.00 H new ATOM 356 N ARG A 38 -12.807 -8.471 1.253 1.00 0.00 N ATOM 357 CA ARG A 38 -13.020 -7.483 0.151 1.00 0.00 C ATOM 358 C ARG A 38 -12.184 -7.885 -1.067 1.00 0.00 C ATOM 359 O ARG A 38 -12.627 -7.784 -2.194 1.00 0.00 O ATOM 360 CB ARG A 38 -12.609 -6.075 0.605 1.00 0.00 C ATOM 361 CG ARG A 38 -13.606 -5.553 1.640 1.00 0.00 C ATOM 362 CD ARG A 38 -13.217 -4.134 2.067 1.00 0.00 C ATOM 363 NE ARG A 38 -13.273 -3.216 0.893 1.00 0.00 N ATOM 364 CZ ARG A 38 -13.326 -1.925 1.081 1.00 0.00 C ATOM 365 NH1 ARG A 38 -13.406 -1.447 2.289 1.00 0.00 N ATOM 366 NH2 ARG A 38 -13.315 -1.110 0.061 1.00 0.00 N ATOM 0 H ARG A 38 -12.387 -8.099 2.105 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.078 -7.476 -0.111 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.606 -6.099 1.032 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.575 -5.402 -0.252 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -14.612 -5.553 1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -13.622 -6.212 2.508 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.892 -3.782 2.847 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.213 -4.135 2.491 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.270 -3.595 -0.054 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.427 -2.081 3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.447 -0.439 2.437 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.265 -1.481 -0.888 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.357 -0.102 0.213 1.00 0.00 H new ATOM 380 N ALA A 39 -10.974 -8.325 -0.849 1.00 0.00 N ATOM 381 CA ALA A 39 -10.097 -8.720 -1.992 1.00 0.00 C ATOM 382 C ALA A 39 -10.423 -10.152 -2.431 1.00 0.00 C ATOM 383 O ALA A 39 -9.834 -10.677 -3.356 1.00 0.00 O ATOM 384 CB ALA A 39 -8.632 -8.626 -1.556 1.00 0.00 C ATOM 0 H ALA A 39 -10.553 -8.429 0.074 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.270 -8.049 -2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.986 -8.913 -2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.406 -7.602 -1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.459 -9.296 -0.714 1.00 0.00 H new ATOM 390 N ASN A 40 -11.378 -10.776 -1.799 1.00 0.00 N ATOM 391 CA ASN A 40 -11.758 -12.156 -2.209 1.00 0.00 C ATOM 392 C ASN A 40 -12.508 -12.074 -3.541 1.00 0.00 C ATOM 393 O ASN A 40 -12.227 -12.791 -4.480 1.00 0.00 O ATOM 394 CB ASN A 40 -12.670 -12.771 -1.142 1.00 0.00 C ATOM 395 CG ASN A 40 -12.976 -14.226 -1.500 1.00 0.00 C ATOM 396 OD1 ASN A 40 -12.176 -14.892 -2.128 1.00 0.00 O ATOM 397 ND2 ASN A 40 -14.111 -14.754 -1.125 1.00 0.00 N ATOM 0 H ASN A 40 -11.910 -10.391 -1.019 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.869 -12.777 -2.318 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.188 -12.720 -0.165 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -13.597 -12.202 -1.070 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -14.325 -15.723 -1.359 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -14.783 -14.197 -0.598 1.00 0.00 H new ATOM 404 N VAL A 41 -13.460 -11.186 -3.615 1.00 0.00 N ATOM 405 CA VAL A 41 -14.246 -11.021 -4.869 1.00 0.00 C ATOM 406 C VAL A 41 -13.354 -10.402 -5.948 1.00 0.00 C ATOM 407 O VAL A 41 -13.362 -10.816 -7.089 1.00 0.00 O ATOM 408 CB VAL A 41 -15.435 -10.094 -4.595 1.00 0.00 C ATOM 409 CG1 VAL A 41 -16.150 -9.744 -5.905 1.00 0.00 C ATOM 410 CG2 VAL A 41 -16.417 -10.793 -3.654 1.00 0.00 C ATOM 0 H VAL A 41 -13.729 -10.563 -2.854 1.00 0.00 H new ATOM 0 HA VAL A 41 -14.607 -11.991 -5.210 1.00 0.00 H new ATOM 0 HB VAL A 41 -15.069 -9.176 -4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -16.992 -9.085 -5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -15.454 -9.241 -6.576 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -16.513 -10.657 -6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -17.264 -10.135 -3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -16.772 -11.713 -4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -15.916 -11.029 -2.715 1.00 0.00 H new ATOM 420 N GLN A 42 -12.596 -9.402 -5.591 1.00 0.00 N ATOM 421 CA GLN A 42 -11.708 -8.736 -6.583 1.00 0.00 C ATOM 422 C GLN A 42 -10.425 -9.547 -6.780 1.00 0.00 C ATOM 423 O GLN A 42 -10.025 -10.320 -5.930 1.00 0.00 O ATOM 424 CB GLN A 42 -11.359 -7.330 -6.084 1.00 0.00 C ATOM 425 CG GLN A 42 -12.593 -6.429 -6.174 1.00 0.00 C ATOM 426 CD GLN A 42 -12.931 -6.181 -7.647 1.00 0.00 C ATOM 427 OE1 GLN A 42 -12.075 -5.805 -8.423 1.00 0.00 O ATOM 428 NE2 GLN A 42 -14.150 -6.380 -8.071 1.00 0.00 N ATOM 0 H GLN A 42 -12.554 -9.016 -4.648 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.228 -8.670 -7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.005 -7.377 -5.054 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.548 -6.913 -6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.438 -6.898 -5.669 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.404 -5.482 -5.668 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.871 -6.696 -7.422 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.381 -6.220 -9.051 1.00 0.00 H new ATOM 437 N GLY A 43 -9.774 -9.361 -7.902 1.00 0.00 N ATOM 438 CA GLY A 43 -8.505 -10.097 -8.187 1.00 0.00 C ATOM 439 C GLY A 43 -7.327 -9.137 -8.020 1.00 0.00 C ATOM 440 O GLY A 43 -6.685 -8.749 -8.976 1.00 0.00 O ATOM 0 H GLY A 43 -10.072 -8.723 -8.640 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.400 -10.944 -7.509 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.522 -10.500 -9.200 1.00 0.00 H new ATOM 444 N TRP A 44 -7.043 -8.749 -6.808 1.00 0.00 N ATOM 445 CA TRP A 44 -5.910 -7.810 -6.563 1.00 0.00 C ATOM 446 C TRP A 44 -4.592 -8.487 -6.937 1.00 0.00 C ATOM 447 O TRP A 44 -4.478 -9.697 -6.937 1.00 0.00 O ATOM 448 CB TRP A 44 -5.861 -7.439 -5.077 1.00 0.00 C ATOM 449 CG TRP A 44 -7.004 -6.542 -4.714 1.00 0.00 C ATOM 450 CD1 TRP A 44 -8.089 -6.292 -5.485 1.00 0.00 C ATOM 451 CD2 TRP A 44 -7.183 -5.768 -3.495 1.00 0.00 C ATOM 452 NE1 TRP A 44 -8.926 -5.419 -4.808 1.00 0.00 N ATOM 453 CE2 TRP A 44 -8.408 -5.068 -3.577 1.00 0.00 C ATOM 454 CE3 TRP A 44 -6.404 -5.613 -2.336 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -8.847 -4.240 -2.541 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -6.836 -4.783 -1.293 1.00 0.00 C ATOM 457 CH2 TRP A 44 -8.058 -4.096 -1.394 1.00 0.00 C ATOM 0 H TRP A 44 -7.549 -9.043 -5.972 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.055 -6.915 -7.168 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.896 -8.344 -4.470 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -4.917 -6.942 -4.853 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.272 -6.705 -6.466 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -9.815 -5.078 -5.174 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.464 -6.138 -2.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.787 -3.715 -2.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.227 -4.671 -0.408 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.388 -3.458 -0.588 1.00 0.00 H new ATOM 468 N THR A 45 -3.581 -7.713 -7.224 1.00 0.00 N ATOM 469 CA THR A 45 -2.260 -8.309 -7.560 1.00 0.00 C ATOM 470 C THR A 45 -1.591 -8.699 -6.240 1.00 0.00 C ATOM 471 O THR A 45 -1.368 -7.866 -5.376 1.00 0.00 O ATOM 472 CB THR A 45 -1.424 -7.280 -8.343 1.00 0.00 C ATOM 473 OG1 THR A 45 -1.790 -7.340 -9.717 1.00 0.00 O ATOM 474 CG2 THR A 45 0.077 -7.572 -8.203 1.00 0.00 C ATOM 0 H THR A 45 -3.614 -6.694 -7.240 1.00 0.00 H new ATOM 0 HA THR A 45 -2.360 -9.193 -8.190 1.00 0.00 H new ATOM 0 HB THR A 45 -1.620 -6.287 -7.940 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.264 -6.687 -10.224 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.646 -6.831 -8.765 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.360 -7.525 -7.151 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.292 -8.567 -8.593 1.00 0.00 H new ATOM 482 N LYS A 46 -1.312 -9.966 -6.065 1.00 0.00 N ATOM 483 CA LYS A 46 -0.708 -10.445 -4.783 1.00 0.00 C ATOM 484 C LYS A 46 0.533 -11.295 -5.043 1.00 0.00 C ATOM 485 O LYS A 46 0.721 -11.849 -6.108 1.00 0.00 O ATOM 486 CB LYS A 46 -1.734 -11.324 -4.069 1.00 0.00 C ATOM 487 CG LYS A 46 -2.969 -10.498 -3.705 1.00 0.00 C ATOM 488 CD LYS A 46 -4.140 -11.438 -3.409 1.00 0.00 C ATOM 489 CE LYS A 46 -3.820 -12.299 -2.180 1.00 0.00 C ATOM 490 NZ LYS A 46 -5.082 -12.871 -1.631 1.00 0.00 N ATOM 0 H LYS A 46 -1.478 -10.694 -6.760 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.428 -9.578 -4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.020 -12.157 -4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.294 -11.752 -3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.760 -9.875 -2.836 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.225 -9.826 -4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.047 -10.859 -3.232 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.332 -12.077 -4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.134 -13.101 -2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.321 -11.697 -1.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.865 -13.455 -0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.722 -12.099 -1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.541 -13.459 -2.356 1.00 0.00 H new ATOM 504 N ARG A 47 1.357 -11.422 -4.038 1.00 0.00 N ATOM 505 CA ARG A 47 2.588 -12.262 -4.138 1.00 0.00 C ATOM 506 C ARG A 47 2.711 -13.018 -2.813 1.00 0.00 C ATOM 507 O ARG A 47 2.850 -12.432 -1.757 1.00 0.00 O ATOM 508 CB ARG A 47 3.824 -11.380 -4.380 1.00 0.00 C ATOM 509 CG ARG A 47 3.784 -10.145 -3.473 1.00 0.00 C ATOM 510 CD ARG A 47 4.924 -9.189 -3.841 1.00 0.00 C ATOM 511 NE ARG A 47 6.235 -9.871 -3.633 1.00 0.00 N ATOM 512 CZ ARG A 47 7.334 -9.329 -4.084 1.00 0.00 C ATOM 513 NH1 ARG A 47 7.285 -8.201 -4.737 1.00 0.00 N ATOM 514 NH2 ARG A 47 8.480 -9.919 -3.889 1.00 0.00 N ATOM 0 H ARG A 47 1.227 -10.970 -3.133 1.00 0.00 H new ATOM 0 HA ARG A 47 2.523 -12.956 -4.976 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.731 -11.953 -4.186 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.859 -11.071 -5.425 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.825 -9.638 -3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.874 -10.447 -2.429 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.827 -8.874 -4.880 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.869 -8.289 -3.229 1.00 0.00 H new ATOM 0 HE ARG A 47 6.273 -10.762 -3.138 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.388 -7.742 -4.895 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.144 -7.778 -5.089 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.518 -10.804 -3.384 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.338 -9.495 -4.241 1.00 0.00 H new ATOM 528 N LYS A 48 2.601 -14.317 -2.854 1.00 0.00 N ATOM 529 CA LYS A 48 2.648 -15.114 -1.595 1.00 0.00 C ATOM 530 C LYS A 48 4.081 -15.371 -1.141 1.00 0.00 C ATOM 531 O LYS A 48 5.017 -15.312 -1.912 1.00 0.00 O ATOM 532 CB LYS A 48 1.938 -16.447 -1.824 1.00 0.00 C ATOM 533 CG LYS A 48 2.739 -17.308 -2.810 1.00 0.00 C ATOM 534 CD LYS A 48 1.921 -18.544 -3.183 1.00 0.00 C ATOM 535 CE LYS A 48 2.814 -19.538 -3.929 1.00 0.00 C ATOM 536 NZ LYS A 48 2.023 -20.751 -4.275 1.00 0.00 N ATOM 0 H LYS A 48 2.480 -14.863 -3.707 1.00 0.00 H new ATOM 0 HA LYS A 48 2.149 -14.544 -0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.824 -16.975 -0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.935 -16.272 -2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.976 -16.732 -3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.687 -17.607 -2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.512 -19.008 -2.285 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.075 -18.259 -3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.211 -19.079 -4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.668 -19.812 -3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.629 -21.427 -4.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.665 -21.192 -3.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.222 -20.482 -4.881 1.00 0.00 H new ATOM 550 N LYS A 49 4.243 -15.680 0.120 1.00 0.00 N ATOM 551 CA LYS A 49 5.593 -15.974 0.666 1.00 0.00 C ATOM 552 C LYS A 49 5.411 -16.873 1.896 1.00 0.00 C ATOM 553 O LYS A 49 4.546 -16.631 2.725 1.00 0.00 O ATOM 554 CB LYS A 49 6.303 -14.670 1.059 1.00 0.00 C ATOM 555 CG LYS A 49 7.808 -14.933 1.200 1.00 0.00 C ATOM 556 CD LYS A 49 8.548 -13.634 1.586 1.00 0.00 C ATOM 557 CE LYS A 49 8.585 -13.472 3.109 1.00 0.00 C ATOM 558 NZ LYS A 49 9.242 -14.661 3.718 1.00 0.00 N ATOM 0 H LYS A 49 3.485 -15.741 0.799 1.00 0.00 H new ATOM 0 HA LYS A 49 6.206 -16.475 -0.083 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.125 -13.904 0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.899 -14.292 1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.981 -15.696 1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.205 -15.320 0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.564 -13.656 1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.049 -12.776 1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.129 -12.566 3.376 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.573 -13.363 3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.572 -15.141 4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.538 -15.317 2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.075 -14.357 4.261 1.00 0.00 H new ATOM 572 N GLU A 50 6.196 -17.922 1.982 1.00 0.00 N ATOM 573 CA GLU A 50 6.086 -18.900 3.112 1.00 0.00 C ATOM 574 C GLU A 50 4.722 -19.594 3.039 1.00 0.00 C ATOM 575 O GLU A 50 4.107 -19.883 4.044 1.00 0.00 O ATOM 576 CB GLU A 50 6.249 -18.211 4.478 1.00 0.00 C ATOM 577 CG GLU A 50 7.690 -17.726 4.646 1.00 0.00 C ATOM 578 CD GLU A 50 7.820 -16.976 5.971 1.00 0.00 C ATOM 579 OE1 GLU A 50 7.601 -15.775 5.975 1.00 0.00 O ATOM 580 OE2 GLU A 50 8.133 -17.616 6.960 1.00 0.00 O ATOM 0 H GLU A 50 6.923 -18.145 1.302 1.00 0.00 H new ATOM 0 HA GLU A 50 6.889 -19.631 3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.561 -17.369 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.994 -18.905 5.278 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.376 -18.573 4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.965 -17.074 3.817 1.00 0.00 H new ATOM 587 N GLY A 51 4.258 -19.871 1.843 1.00 0.00 N ATOM 588 CA GLY A 51 2.939 -20.557 1.670 1.00 0.00 C ATOM 589 C GLY A 51 1.881 -19.933 2.583 1.00 0.00 C ATOM 590 O GLY A 51 1.813 -20.231 3.760 1.00 0.00 O ATOM 0 H GLY A 51 4.741 -19.649 0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.619 -20.483 0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.043 -21.618 1.897 1.00 0.00 H new ATOM 594 N VAL A 52 1.047 -19.073 2.047 1.00 0.00 N ATOM 595 CA VAL A 52 -0.015 -18.424 2.872 1.00 0.00 C ATOM 596 C VAL A 52 -1.393 -19.023 2.533 1.00 0.00 C ATOM 597 O VAL A 52 -1.842 -18.973 1.405 1.00 0.00 O ATOM 598 CB VAL A 52 -0.001 -16.909 2.591 1.00 0.00 C ATOM 599 CG1 VAL A 52 1.452 -16.412 2.473 1.00 0.00 C ATOM 600 CG2 VAL A 52 -0.753 -16.593 1.287 1.00 0.00 C ATOM 0 H VAL A 52 1.059 -18.793 1.066 1.00 0.00 H new ATOM 0 HA VAL A 52 0.178 -18.601 3.930 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.498 -16.402 3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.455 -15.340 2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.981 -16.610 3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.950 -16.934 1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.732 -15.518 1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.274 -17.110 0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.787 -16.926 1.374 1.00 0.00 H new ATOM 610 N LYS A 53 -2.067 -19.573 3.513 1.00 0.00 N ATOM 611 CA LYS A 53 -3.427 -20.156 3.284 1.00 0.00 C ATOM 612 C LYS A 53 -4.442 -19.317 4.063 1.00 0.00 C ATOM 613 O LYS A 53 -5.636 -19.526 3.980 1.00 0.00 O ATOM 614 CB LYS A 53 -3.462 -21.609 3.770 1.00 0.00 C ATOM 615 CG LYS A 53 -2.597 -22.475 2.846 1.00 0.00 C ATOM 616 CD LYS A 53 -2.621 -23.933 3.317 1.00 0.00 C ATOM 617 CE LYS A 53 -1.754 -24.780 2.382 1.00 0.00 C ATOM 618 NZ LYS A 53 -1.699 -26.183 2.883 1.00 0.00 N ATOM 0 H LYS A 53 -1.729 -19.644 4.473 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.668 -20.145 2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.094 -21.671 4.794 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.488 -21.977 3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.966 -22.409 1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.572 -22.103 2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.250 -24.003 4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.644 -24.309 3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.164 -24.760 1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.748 -24.364 2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.110 -26.756 2.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.289 -26.195 3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.660 -26.578 2.914 1.00 0.00 H new ATOM 632 N GLY A 54 -3.966 -18.364 4.823 1.00 0.00 N ATOM 633 CA GLY A 54 -4.884 -17.498 5.614 1.00 0.00 C ATOM 634 C GLY A 54 -4.060 -16.541 6.488 1.00 0.00 C ATOM 635 O GLY A 54 -4.601 -15.728 7.211 1.00 0.00 O ATOM 0 H GLY A 54 -2.974 -18.149 4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.532 -16.930 4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.532 -18.112 6.240 1.00 0.00 H new ATOM 639 N GLY A 55 -2.754 -16.630 6.426 1.00 0.00 N ATOM 640 CA GLY A 55 -1.898 -15.724 7.254 1.00 0.00 C ATOM 641 C GLY A 55 -0.452 -15.759 6.744 1.00 0.00 C ATOM 642 O GLY A 55 -0.174 -15.421 5.612 1.00 0.00 O ATOM 0 H GLY A 55 -2.244 -17.290 5.839 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.283 -14.705 7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.932 -16.033 8.299 1.00 0.00 H new ATOM 646 N LYS A 56 0.470 -16.165 7.577 1.00 0.00 N ATOM 647 CA LYS A 56 1.902 -16.222 7.150 1.00 0.00 C ATOM 648 C LYS A 56 2.324 -14.873 6.553 1.00 0.00 C ATOM 649 O LYS A 56 1.945 -13.832 7.055 1.00 0.00 O ATOM 650 CB LYS A 56 2.067 -17.336 6.114 1.00 0.00 C ATOM 651 CG LYS A 56 1.729 -18.702 6.738 1.00 0.00 C ATOM 652 CD LYS A 56 2.920 -19.247 7.539 1.00 0.00 C ATOM 653 CE LYS A 56 2.540 -20.603 8.140 1.00 0.00 C ATOM 654 NZ LYS A 56 3.747 -21.236 8.743 1.00 0.00 N ATOM 0 H LYS A 56 0.294 -16.461 8.537 1.00 0.00 H new ATOM 0 HA LYS A 56 2.536 -16.431 8.011 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.416 -17.147 5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.090 -17.344 5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.861 -18.604 7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.460 -19.408 5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.791 -19.353 6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.193 -18.548 8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.768 -20.473 8.898 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.124 -21.251 7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.489 -22.157 9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.470 -21.373 8.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.125 -20.620 9.491 1.00 0.00 H new ATOM 668 N ALA A 57 3.126 -14.871 5.506 1.00 0.00 N ATOM 669 CA ALA A 57 3.590 -13.572 4.910 1.00 0.00 C ATOM 670 C ALA A 57 2.996 -13.366 3.513 1.00 0.00 C ATOM 671 O ALA A 57 3.358 -14.032 2.563 1.00 0.00 O ATOM 672 CB ALA A 57 5.114 -13.591 4.815 1.00 0.00 C ATOM 0 H ALA A 57 3.477 -15.709 5.042 1.00 0.00 H new ATOM 0 HA ALA A 57 3.257 -12.753 5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.463 -12.653 4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.539 -13.713 5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.429 -14.421 4.182 1.00 0.00 H new ATOM 678 N VAL A 58 2.103 -12.417 3.392 1.00 0.00 N ATOM 679 CA VAL A 58 1.465 -12.105 2.072 1.00 0.00 C ATOM 680 C VAL A 58 1.527 -10.589 1.858 1.00 0.00 C ATOM 681 O VAL A 58 1.459 -9.828 2.804 1.00 0.00 O ATOM 682 CB VAL A 58 0.004 -12.574 2.088 1.00 0.00 C ATOM 683 CG1 VAL A 58 -0.726 -11.950 3.279 1.00 0.00 C ATOM 684 CG2 VAL A 58 -0.689 -12.149 0.790 1.00 0.00 C ATOM 0 H VAL A 58 1.782 -11.834 4.165 1.00 0.00 H new ATOM 0 HA VAL A 58 1.988 -12.617 1.264 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.021 -13.660 2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.763 -12.286 3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.239 -12.256 4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.697 -10.864 3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.726 -12.484 0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.659 -11.063 0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.175 -12.597 -0.060 1.00 0.00 H new ATOM 694 N GLU A 59 1.700 -10.140 0.633 1.00 0.00 N ATOM 695 CA GLU A 59 1.812 -8.659 0.379 1.00 0.00 C ATOM 696 C GLU A 59 0.815 -8.219 -0.711 1.00 0.00 C ATOM 697 O GLU A 59 0.537 -8.947 -1.648 1.00 0.00 O ATOM 698 CB GLU A 59 3.257 -8.361 -0.063 1.00 0.00 C ATOM 699 CG GLU A 59 3.673 -6.950 0.370 1.00 0.00 C ATOM 700 CD GLU A 59 3.958 -6.936 1.874 1.00 0.00 C ATOM 701 OE1 GLU A 59 3.606 -7.899 2.535 1.00 0.00 O ATOM 702 OE2 GLU A 59 4.533 -5.964 2.339 1.00 0.00 O ATOM 0 H GLU A 59 1.768 -10.728 -0.197 1.00 0.00 H new ATOM 0 HA GLU A 59 1.573 -8.105 1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.935 -9.095 0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.338 -8.454 -1.146 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.560 -6.636 -0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.882 -6.238 0.133 1.00 0.00 H new ATOM 709 N TYR A 60 0.275 -7.024 -0.575 1.00 0.00 N ATOM 710 CA TYR A 60 -0.722 -6.492 -1.565 1.00 0.00 C ATOM 711 C TYR A 60 -0.179 -5.210 -2.203 1.00 0.00 C ATOM 712 O TYR A 60 0.423 -4.389 -1.538 1.00 0.00 O ATOM 713 CB TYR A 60 -2.013 -6.141 -0.828 1.00 0.00 C ATOM 714 CG TYR A 60 -2.636 -7.395 -0.282 1.00 0.00 C ATOM 715 CD1 TYR A 60 -3.524 -8.130 -1.071 1.00 0.00 C ATOM 716 CD2 TYR A 60 -2.318 -7.829 1.010 1.00 0.00 C ATOM 717 CE1 TYR A 60 -4.096 -9.300 -0.568 1.00 0.00 C ATOM 718 CE2 TYR A 60 -2.889 -9.001 1.510 1.00 0.00 C ATOM 719 CZ TYR A 60 -3.779 -9.735 0.720 1.00 0.00 C ATOM 720 OH TYR A 60 -4.341 -10.893 1.210 1.00 0.00 O ATOM 0 H TYR A 60 0.488 -6.387 0.193 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.905 -7.245 -2.331 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.803 -5.444 -0.017 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.707 -5.643 -1.505 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.768 -7.794 -2.068 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.632 -7.259 1.619 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.784 -9.869 -1.176 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.644 -9.340 2.506 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.797 -11.233 1.951 1.00 0.00 H new ATOM 730 N ASP A 61 -0.395 -5.022 -3.483 1.00 0.00 N ATOM 731 CA ASP A 61 0.102 -3.778 -4.159 1.00 0.00 C ATOM 732 C ASP A 61 -1.046 -2.770 -4.288 1.00 0.00 C ATOM 733 O ASP A 61 -2.099 -3.072 -4.813 1.00 0.00 O ATOM 734 CB ASP A 61 0.647 -4.134 -5.545 1.00 0.00 C ATOM 735 CG ASP A 61 -0.502 -4.551 -6.456 1.00 0.00 C ATOM 736 OD1 ASP A 61 -1.475 -5.082 -5.946 1.00 0.00 O ATOM 737 OD2 ASP A 61 -0.389 -4.339 -7.653 1.00 0.00 O ATOM 0 H ASP A 61 -0.893 -5.674 -4.089 1.00 0.00 H new ATOM 0 HA ASP A 61 0.900 -3.333 -3.565 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.170 -3.278 -5.972 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.372 -4.943 -5.464 1.00 0.00 H new ATOM 742 N VAL A 62 -0.847 -1.576 -3.794 1.00 0.00 N ATOM 743 CA VAL A 62 -1.911 -0.526 -3.853 1.00 0.00 C ATOM 744 C VAL A 62 -2.240 -0.147 -5.303 1.00 0.00 C ATOM 745 O VAL A 62 -3.264 0.447 -5.575 1.00 0.00 O ATOM 746 CB VAL A 62 -1.428 0.717 -3.107 1.00 0.00 C ATOM 747 CG1 VAL A 62 -2.568 1.731 -3.006 1.00 0.00 C ATOM 748 CG2 VAL A 62 -0.978 0.321 -1.700 1.00 0.00 C ATOM 0 H VAL A 62 0.019 -1.278 -3.346 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.814 -0.924 -3.390 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.593 1.162 -3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.221 2.617 -2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.893 2.014 -4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.403 1.287 -2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.633 1.206 -1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.815 -0.124 -1.162 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.165 -0.402 -1.768 1.00 0.00 H new ATOM 758 N MET A 63 -1.379 -0.446 -6.233 1.00 0.00 N ATOM 759 CA MET A 63 -1.659 -0.061 -7.650 1.00 0.00 C ATOM 760 C MET A 63 -2.711 -0.989 -8.277 1.00 0.00 C ATOM 761 O MET A 63 -2.944 -0.934 -9.469 1.00 0.00 O ATOM 762 CB MET A 63 -0.365 -0.144 -8.470 1.00 0.00 C ATOM 763 CG MET A 63 0.581 0.981 -8.052 1.00 0.00 C ATOM 764 SD MET A 63 -0.041 2.555 -8.704 1.00 0.00 S ATOM 765 CE MET A 63 0.352 3.585 -7.268 1.00 0.00 C ATOM 0 H MET A 63 -0.498 -0.937 -6.079 1.00 0.00 H new ATOM 0 HA MET A 63 -2.044 0.959 -7.656 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.114 -1.111 -8.316 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.591 -0.066 -9.533 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.653 1.027 -6.965 1.00 0.00 H new ATOM 0 HG3 MET A 63 1.585 0.788 -8.430 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.281 4.637 -7.544 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.353 3.372 -6.464 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.365 3.367 -6.930 1.00 0.00 H new ATOM 775 N SER A 64 -3.338 -1.848 -7.503 1.00 0.00 N ATOM 776 CA SER A 64 -4.362 -2.789 -8.085 1.00 0.00 C ATOM 777 C SER A 64 -5.791 -2.375 -7.688 1.00 0.00 C ATOM 778 O SER A 64 -6.744 -2.700 -8.370 1.00 0.00 O ATOM 779 CB SER A 64 -4.087 -4.201 -7.562 1.00 0.00 C ATOM 780 OG SER A 64 -4.457 -4.277 -6.193 1.00 0.00 O ATOM 0 H SER A 64 -3.188 -1.940 -6.498 1.00 0.00 H new ATOM 0 HA SER A 64 -4.286 -2.757 -9.172 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.649 -4.932 -8.143 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.031 -4.445 -7.679 1.00 0.00 H new ATOM 0 HG SER A 64 -4.347 -3.397 -5.775 1.00 0.00 H new ATOM 786 N MET A 65 -5.963 -1.662 -6.605 1.00 0.00 N ATOM 787 CA MET A 65 -7.346 -1.237 -6.198 1.00 0.00 C ATOM 788 C MET A 65 -7.783 -0.038 -7.061 1.00 0.00 C ATOM 789 O MET A 65 -6.960 0.649 -7.634 1.00 0.00 O ATOM 790 CB MET A 65 -7.360 -0.865 -4.691 1.00 0.00 C ATOM 791 CG MET A 65 -5.939 -0.602 -4.203 1.00 0.00 C ATOM 792 SD MET A 65 -5.063 -2.181 -4.036 1.00 0.00 S ATOM 793 CE MET A 65 -5.087 -2.287 -2.229 1.00 0.00 C ATOM 0 H MET A 65 -5.214 -1.355 -5.985 1.00 0.00 H new ATOM 0 HA MET A 65 -8.046 -2.058 -6.354 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.977 0.020 -4.532 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.808 -1.673 -4.113 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.415 0.046 -4.906 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.961 -0.082 -3.245 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.669 -3.243 -1.915 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.492 -1.476 -1.809 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.114 -2.206 -1.873 1.00 0.00 H new ATOM 803 N PRO A 66 -9.071 0.212 -7.152 1.00 0.00 N ATOM 804 CA PRO A 66 -9.612 1.353 -7.958 1.00 0.00 C ATOM 805 C PRO A 66 -9.217 2.709 -7.352 1.00 0.00 C ATOM 806 O PRO A 66 -8.669 2.771 -6.273 1.00 0.00 O ATOM 807 CB PRO A 66 -11.135 1.144 -7.927 1.00 0.00 C ATOM 808 CG PRO A 66 -11.396 0.309 -6.712 1.00 0.00 C ATOM 809 CD PRO A 66 -10.149 -0.558 -6.506 1.00 0.00 C ATOM 0 HA PRO A 66 -9.215 1.369 -8.973 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.661 2.097 -7.870 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.481 0.642 -8.831 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.580 0.938 -5.841 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.282 -0.311 -6.850 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -9.945 -0.720 -5.447 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.266 -1.541 -6.962 1.00 0.00 H new ATOM 817 N THR A 67 -9.467 3.791 -8.042 1.00 0.00 N ATOM 818 CA THR A 67 -9.075 5.128 -7.508 1.00 0.00 C ATOM 819 C THR A 67 -9.771 5.433 -6.178 1.00 0.00 C ATOM 820 O THR A 67 -9.182 6.008 -5.286 1.00 0.00 O ATOM 821 CB THR A 67 -9.466 6.204 -8.519 1.00 0.00 C ATOM 822 OG1 THR A 67 -10.876 6.201 -8.688 1.00 0.00 O ATOM 823 CG2 THR A 67 -8.790 5.919 -9.856 1.00 0.00 C ATOM 0 H THR A 67 -9.926 3.806 -8.953 1.00 0.00 H new ATOM 0 HA THR A 67 -7.998 5.120 -7.340 1.00 0.00 H new ATOM 0 HB THR A 67 -9.145 7.180 -8.154 1.00 0.00 H new ATOM 0 HG1 THR A 67 -11.129 6.892 -9.335 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.070 6.688 -10.576 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.708 5.922 -9.725 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.108 4.944 -10.224 1.00 0.00 H new ATOM 831 N LYS A 68 -11.019 5.087 -6.042 1.00 0.00 N ATOM 832 CA LYS A 68 -11.734 5.406 -4.773 1.00 0.00 C ATOM 833 C LYS A 68 -10.987 4.793 -3.581 1.00 0.00 C ATOM 834 O LYS A 68 -10.697 5.466 -2.612 1.00 0.00 O ATOM 835 CB LYS A 68 -13.148 4.829 -4.855 1.00 0.00 C ATOM 836 CG LYS A 68 -13.935 5.198 -3.598 1.00 0.00 C ATOM 837 CD LYS A 68 -15.386 4.737 -3.761 1.00 0.00 C ATOM 838 CE LYS A 68 -16.207 5.182 -2.547 1.00 0.00 C ATOM 839 NZ LYS A 68 -17.624 4.753 -2.720 1.00 0.00 N ATOM 0 H LYS A 68 -11.573 4.601 -6.747 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.780 6.486 -4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.656 5.214 -5.739 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.102 3.745 -4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.487 4.728 -2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.899 6.275 -3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.811 5.156 -4.673 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.424 3.652 -3.861 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.793 4.749 -1.636 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.155 6.265 -2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.181 5.055 -1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.015 5.187 -3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.665 3.717 -2.805 1.00 0.00 H new ATOM 853 N GLU A 69 -10.654 3.535 -3.649 1.00 0.00 N ATOM 854 CA GLU A 69 -9.913 2.898 -2.522 1.00 0.00 C ATOM 855 C GLU A 69 -8.498 3.483 -2.422 1.00 0.00 C ATOM 856 O GLU A 69 -7.978 3.678 -1.343 1.00 0.00 O ATOM 857 CB GLU A 69 -9.856 1.377 -2.748 1.00 0.00 C ATOM 858 CG GLU A 69 -11.112 0.715 -2.160 1.00 0.00 C ATOM 859 CD GLU A 69 -12.365 1.439 -2.659 1.00 0.00 C ATOM 860 OE1 GLU A 69 -12.387 1.815 -3.819 1.00 0.00 O ATOM 861 OE2 GLU A 69 -13.282 1.606 -1.871 1.00 0.00 O ATOM 0 H GLU A 69 -10.862 2.919 -4.435 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.431 3.100 -1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.785 1.161 -3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.963 0.964 -2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.149 -0.335 -2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.074 0.745 -1.071 1.00 0.00 H new ATOM 868 N ARG A 70 -7.863 3.766 -3.525 1.00 0.00 N ATOM 869 CA ARG A 70 -6.487 4.333 -3.449 1.00 0.00 C ATOM 870 C ARG A 70 -6.521 5.647 -2.669 1.00 0.00 C ATOM 871 O ARG A 70 -5.651 5.923 -1.866 1.00 0.00 O ATOM 872 CB ARG A 70 -5.932 4.556 -4.858 1.00 0.00 C ATOM 873 CG ARG A 70 -5.634 3.195 -5.492 1.00 0.00 C ATOM 874 CD ARG A 70 -5.179 3.384 -6.938 1.00 0.00 C ATOM 875 NE ARG A 70 -3.998 4.291 -6.964 1.00 0.00 N ATOM 876 CZ ARG A 70 -3.286 4.404 -8.049 1.00 0.00 C ATOM 877 NH1 ARG A 70 -3.589 3.701 -9.103 1.00 0.00 N ATOM 878 NH2 ARG A 70 -2.266 5.214 -8.075 1.00 0.00 N ATOM 0 H ARG A 70 -8.232 3.631 -4.466 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.833 3.632 -2.931 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.652 5.105 -5.465 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.025 5.159 -4.815 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.860 2.680 -4.922 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.524 2.567 -5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.923 2.421 -7.380 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.989 3.804 -7.535 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.746 4.824 -6.132 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.384 3.062 -9.079 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.032 3.789 -9.953 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.026 5.759 -7.247 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.707 5.304 -8.924 1.00 0.00 H new ATOM 892 N GLU A 71 -7.525 6.450 -2.874 1.00 0.00 N ATOM 893 CA GLU A 71 -7.614 7.730 -2.120 1.00 0.00 C ATOM 894 C GLU A 71 -7.679 7.419 -0.621 1.00 0.00 C ATOM 895 O GLU A 71 -7.073 8.093 0.189 1.00 0.00 O ATOM 896 CB GLU A 71 -8.869 8.485 -2.561 1.00 0.00 C ATOM 897 CG GLU A 71 -8.669 8.991 -3.990 1.00 0.00 C ATOM 898 CD GLU A 71 -9.993 9.526 -4.533 1.00 0.00 C ATOM 899 OE1 GLU A 71 -11.000 9.343 -3.871 1.00 0.00 O ATOM 900 OE2 GLU A 71 -9.979 10.099 -5.611 1.00 0.00 O ATOM 0 H GLU A 71 -8.287 6.276 -3.530 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.740 8.350 -2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.739 7.830 -2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.061 9.321 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.913 9.777 -4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.303 8.184 -4.625 1.00 0.00 H new ATOM 907 N GLN A 72 -8.405 6.401 -0.246 1.00 0.00 N ATOM 908 CA GLN A 72 -8.496 6.055 1.197 1.00 0.00 C ATOM 909 C GLN A 72 -7.111 5.616 1.683 1.00 0.00 C ATOM 910 O GLN A 72 -6.691 5.948 2.773 1.00 0.00 O ATOM 911 CB GLN A 72 -9.492 4.900 1.384 1.00 0.00 C ATOM 912 CG GLN A 72 -10.923 5.385 1.111 1.00 0.00 C ATOM 913 CD GLN A 72 -11.388 6.322 2.228 1.00 0.00 C ATOM 914 OE1 GLN A 72 -11.041 6.073 3.460 1.00 0.00 O flip ATOM 915 NE2 GLN A 72 -12.093 7.283 1.979 1.00 0.00 N flip ATOM 0 H GLN A 72 -8.936 5.798 -0.874 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.836 6.919 1.767 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.242 4.082 0.708 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.420 4.509 2.399 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.962 5.903 0.153 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.596 4.531 1.040 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.366 7.480 1.016 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.411 7.891 2.733 1.00 0.00 H new ATOM 924 N VAL A 73 -6.396 4.877 0.876 1.00 0.00 N ATOM 925 CA VAL A 73 -5.037 4.415 1.286 1.00 0.00 C ATOM 926 C VAL A 73 -4.076 5.609 1.311 1.00 0.00 C ATOM 927 O VAL A 73 -3.375 5.831 2.278 1.00 0.00 O ATOM 928 CB VAL A 73 -4.533 3.370 0.285 1.00 0.00 C ATOM 929 CG1 VAL A 73 -3.059 3.040 0.570 1.00 0.00 C ATOM 930 CG2 VAL A 73 -5.382 2.101 0.417 1.00 0.00 C ATOM 0 H VAL A 73 -6.695 4.573 -0.051 1.00 0.00 H new ATOM 0 HA VAL A 73 -5.087 3.972 2.281 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.616 3.765 -0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.708 2.297 -0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.459 3.945 0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.964 2.644 1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.030 1.352 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.296 1.710 1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.425 2.338 0.207 1.00 0.00 H new ATOM 940 N ILE A 74 -4.043 6.381 0.256 1.00 0.00 N ATOM 941 CA ILE A 74 -3.136 7.565 0.222 1.00 0.00 C ATOM 942 C ILE A 74 -3.541 8.517 1.356 1.00 0.00 C ATOM 943 O ILE A 74 -2.707 9.109 2.011 1.00 0.00 O ATOM 944 CB ILE A 74 -3.251 8.270 -1.156 1.00 0.00 C ATOM 945 CG1 ILE A 74 -2.245 7.668 -2.154 1.00 0.00 C ATOM 946 CG2 ILE A 74 -2.961 9.775 -1.021 1.00 0.00 C ATOM 947 CD1 ILE A 74 -2.591 6.208 -2.454 1.00 0.00 C ATOM 0 H ILE A 74 -4.605 6.242 -0.583 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.100 7.257 0.360 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.268 8.122 -1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.251 8.246 -3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.237 7.732 -1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.047 10.251 -1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.679 10.224 -0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.952 9.918 -0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.868 5.801 -3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.561 5.630 -1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.591 6.152 -2.884 1.00 0.00 H new ATOM 959 N ALA A 75 -4.817 8.675 1.577 1.00 0.00 N ATOM 960 CA ALA A 75 -5.278 9.599 2.650 1.00 0.00 C ATOM 961 C ALA A 75 -4.641 9.202 3.983 1.00 0.00 C ATOM 962 O ALA A 75 -4.134 10.034 4.707 1.00 0.00 O ATOM 963 CB ALA A 75 -6.800 9.511 2.772 1.00 0.00 C ATOM 0 H ALA A 75 -5.560 8.204 1.061 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.985 10.619 2.399 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.142 10.186 3.557 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.258 9.795 1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.087 8.489 3.022 1.00 0.00 H new ATOM 969 N HIS A 76 -4.655 7.942 4.320 1.00 0.00 N ATOM 970 CA HIS A 76 -4.042 7.525 5.612 1.00 0.00 C ATOM 971 C HIS A 76 -2.547 7.836 5.574 1.00 0.00 C ATOM 972 O HIS A 76 -1.974 8.319 6.531 1.00 0.00 O ATOM 973 CB HIS A 76 -4.236 6.025 5.822 1.00 0.00 C ATOM 974 CG HIS A 76 -3.741 5.660 7.195 1.00 0.00 C ATOM 975 ND1 HIS A 76 -4.594 5.545 8.281 1.00 0.00 N ATOM 976 CD2 HIS A 76 -2.482 5.399 7.676 1.00 0.00 C ATOM 977 CE1 HIS A 76 -3.846 5.228 9.352 1.00 0.00 C ATOM 978 NE2 HIS A 76 -2.551 5.126 9.038 1.00 0.00 N ATOM 0 H HIS A 76 -5.060 7.190 3.763 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.519 8.065 6.430 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.289 5.762 5.718 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.691 5.464 5.063 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -1.577 5.405 7.087 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -4.243 5.075 10.345 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -1.778 4.897 9.663 1.00 0.00 H new ATOM 986 N LEU A 77 -1.910 7.570 4.469 1.00 0.00 N ATOM 987 CA LEU A 77 -0.456 7.863 4.367 1.00 0.00 C ATOM 988 C LEU A 77 -0.256 9.377 4.422 1.00 0.00 C ATOM 989 O LEU A 77 0.679 9.872 5.016 1.00 0.00 O ATOM 990 CB LEU A 77 0.093 7.336 3.041 1.00 0.00 C ATOM 991 CG LEU A 77 -0.117 5.819 2.953 1.00 0.00 C ATOM 992 CD1 LEU A 77 0.278 5.341 1.552 1.00 0.00 C ATOM 993 CD2 LEU A 77 0.744 5.099 4.008 1.00 0.00 C ATOM 0 H LEU A 77 -2.333 7.163 3.634 1.00 0.00 H new ATOM 0 HA LEU A 77 0.070 7.379 5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.408 7.830 2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.154 7.570 2.958 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.165 5.589 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.132 4.263 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.342 5.841 0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.326 5.578 1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.585 4.023 3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.796 5.323 3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.460 5.440 5.004 1.00 0.00 H new ATOM 1005 N GLY A 78 -1.130 10.112 3.786 1.00 0.00 N ATOM 1006 CA GLY A 78 -1.003 11.598 3.767 1.00 0.00 C ATOM 1007 C GLY A 78 -1.044 12.165 5.190 1.00 0.00 C ATOM 1008 O GLY A 78 -0.308 13.076 5.515 1.00 0.00 O ATOM 0 H GLY A 78 -1.932 9.743 3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.068 11.882 3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.811 12.029 3.175 1.00 0.00 H new ATOM 1012 N LEU A 79 -1.884 11.648 6.052 1.00 0.00 N ATOM 1013 CA LEU A 79 -1.933 12.194 7.446 1.00 0.00 C ATOM 1014 C LEU A 79 -0.907 11.466 8.312 1.00 0.00 C ATOM 1015 O LEU A 79 -0.744 11.759 9.479 1.00 0.00 O ATOM 1016 CB LEU A 79 -3.343 12.037 8.040 1.00 0.00 C ATOM 1017 CG LEU A 79 -3.843 10.571 7.944 1.00 0.00 C ATOM 1018 CD1 LEU A 79 -3.454 9.770 9.198 1.00 0.00 C ATOM 1019 CD2 LEU A 79 -5.375 10.563 7.829 1.00 0.00 C ATOM 0 H LEU A 79 -2.530 10.883 5.857 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.694 13.257 7.421 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.336 12.352 9.083 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.036 12.694 7.513 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.382 10.114 7.068 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.817 8.747 9.103 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.369 9.762 9.302 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.900 10.233 10.078 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.729 9.534 7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.808 11.039 8.709 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.676 11.110 6.935 1.00 0.00 H new ATOM 1031 N SER A 80 -0.200 10.529 7.742 1.00 0.00 N ATOM 1032 CA SER A 80 0.835 9.784 8.515 1.00 0.00 C ATOM 1033 C SER A 80 2.167 10.529 8.404 1.00 0.00 C ATOM 1034 O SER A 80 3.178 10.097 8.921 1.00 0.00 O ATOM 1035 CB SER A 80 0.982 8.377 7.939 1.00 0.00 C ATOM 1036 OG SER A 80 -0.235 7.667 8.130 1.00 0.00 O ATOM 0 H SER A 80 -0.295 10.245 6.767 1.00 0.00 H new ATOM 0 HA SER A 80 0.540 9.713 9.562 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.225 8.429 6.878 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.803 7.854 8.429 1.00 0.00 H new ATOM 0 HG SER A 80 -0.751 7.673 7.297 1.00 0.00 H new ATOM 1042 N THR A 81 2.177 11.649 7.732 1.00 0.00 N ATOM 1043 CA THR A 81 3.443 12.429 7.588 1.00 0.00 C ATOM 1044 C THR A 81 3.105 13.905 7.364 1.00 0.00 C ATOM 1045 O THR A 81 3.731 14.788 7.917 1.00 0.00 O ATOM 1046 CB THR A 81 4.241 11.904 6.389 1.00 0.00 C ATOM 1047 OG1 THR A 81 5.301 12.806 6.099 1.00 0.00 O ATOM 1048 CG2 THR A 81 3.324 11.782 5.169 1.00 0.00 C ATOM 0 H THR A 81 1.362 12.059 7.275 1.00 0.00 H new ATOM 0 HA THR A 81 4.039 12.320 8.494 1.00 0.00 H new ATOM 0 HB THR A 81 4.650 10.922 6.628 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.814 12.472 5.334 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.896 11.409 4.320 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.512 11.090 5.392 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.910 12.761 4.926 1.00 0.00 H new TER 1056 THR A 81