USER MOD reduce.3.24.130724 H: found=0, std=0, add=1319, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1343 hydrogens (20 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 NoAdj-H: A 84 HIS HE2 : A 84 HIS NE2 : A 176 ZNZN :(H bumps) USER MOD NoAdj-H: A 97 HIS HD1 : A 97 HIS ND1 : A 176 ZNZN :(H bumps) USER MOD NoAdj-H: A 120 HIS HE2 : A 120 HIS NE2 : A 177 ZNZN :(H bumps) USER MOD NoAdj-H: A 124 HIS HE2 : A 124 HIS NE2 : A 177 ZNZN :(H bumps) USER MOD Set 1.1: A 80 ASN : amide:sc= -1.55 X(o=-1.5,f=-1.3) USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot -120:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.543 K(o=-0.54,f=-3.9!) USER MOD Single : A 7 SER OG : rot 68:sc= 0.0801 USER MOD Single : A 9 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.23) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.032 USER MOD Single : A 12 SER OG : rot -145:sc= 1.49 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.727 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -169:sc= 1.24 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 138:sc= 1.37 USER MOD Single : A 28 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.38) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.0346 X(o=0.035,f=-0.44) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.0594 K(o=-0.059,f=-10!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.234 USER MOD Single : A 105 THR OG1 : rot -157:sc= 1.13 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.5 K(o=0.5,f=-11!) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.0757 USER MOD Single : A 119 THR OG1 : rot 85:sc= -0.0221 USER MOD Single : A 125 SER OG : rot -39:sc= 0.438 USER MOD Single : A 128 MET CE :methyl 150:sc= -0.607 (180deg=-1.42) USER MOD Single : A 130 HIS : no HD1:sc= -0.331 K(o=-0.33,f=-0.83) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.0429 X(o=-0.043,f=-0.043) USER MOD Single : A 138 MET CE :methyl -161:sc= -0.202 (180deg=-0.395) USER MOD Single : A 139 TYR OH : rot -20:sc= 2.09 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 TYR OH : rot 30:sc= -0.018 USER MOD Single : A 144 ASN : amide:sc= -0.0446 K(o=-0.045,f=-1.3!) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 ASN : amide:sc= -0.211 X(o=-0.21,f=0.015) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot 166:sc= 0.0471 USER MOD Single : A 154 GLN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= 0 K(o=0,f=-0.57!) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot 180:sc= -0.217 USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 169 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 MDW O1 : rot -159:sc= 0.00898 USER MOD ----------------------------------------------------------------- ATOM 1 CA TYR A 1 -8.683 -6.871 14.936 1.00 0.56 C ATOM 2 C TYR A 1 -7.568 -5.825 14.864 1.00 0.57 C ATOM 3 O TYR A 1 -7.099 -5.342 15.895 1.00 -0.57 O ATOM 4 CB TYR A 1 -10.049 -6.282 14.535 1.00 0.14 C ATOM 5 CG TYR A 1 -10.691 -5.346 15.558 1.00 -0.14 C ATOM 6 CD1 TYR A 1 -10.098 -4.107 15.878 1.00 -0.15 C ATOM 7 CD2 TYR A 1 -11.898 -5.706 16.187 1.00 -0.15 C ATOM 8 CE1 TYR A 1 -10.681 -3.246 16.824 1.00 -0.15 C ATOM 9 CE2 TYR A 1 -12.484 -4.854 17.143 1.00 -0.15 C ATOM 10 CZ TYR A 1 -11.875 -3.621 17.476 1.00 0.08 C ATOM 11 OH TYR A 1 -12.456 -2.813 18.412 1.00 -0.53 O ATOM 0 HB2 TYR A 1 -9.929 -5.739 13.598 1.00 0.14 H new ATOM 0 HB3 TYR A 1 -10.737 -7.105 14.341 1.00 0.14 H new ATOM 0 HD1 TYR A 1 -9.181 -3.815 15.388 1.00 -0.15 H new ATOM 0 HD2 TYR A 1 -12.377 -6.641 15.935 1.00 -0.15 H new ATOM 0 HE1 TYR A 1 -10.216 -2.298 17.052 1.00 -0.15 H new ATOM 0 HE2 TYR A 1 -13.406 -5.144 17.626 1.00 -0.15 H new ATOM 0 HH TYR A 1 -13.272 -3.238 18.750 1.00 -0.53 H new ATOM 20 N SER A 2 -7.166 -5.455 13.641 1.00 -0.73 N ATOM 21 CA SER A 2 -6.167 -4.419 13.381 1.00 0.36 C ATOM 22 C SER A 2 -6.641 -3.051 13.886 1.00 0.57 C ATOM 23 O SER A 2 -5.947 -2.422 14.693 1.00 -0.57 O ATOM 24 CB SER A 2 -5.905 -4.411 11.870 1.00 0.28 C ATOM 25 OG SER A 2 -5.022 -3.397 11.456 1.00 -0.68 O ATOM 0 H SER A 2 -7.536 -5.878 12.790 1.00 -0.73 H new ATOM 0 HA SER A 2 -5.243 -4.632 13.919 1.00 0.36 H new ATOM 0 HB2 SER A 2 -5.498 -5.378 11.575 1.00 0.28 H new ATOM 0 HB3 SER A 2 -6.853 -4.291 11.346 1.00 0.28 H new ATOM 0 HG SER A 2 -5.476 -2.809 10.816 1.00 -0.68 H new ATOM 31 N LEU A 3 -7.835 -2.636 13.441 1.00 -0.73 N ATOM 32 CA LEU A 3 -8.486 -1.367 13.738 1.00 0.36 C ATOM 33 C LEU A 3 -10.007 -1.554 13.659 1.00 0.57 C ATOM 34 O LEU A 3 -10.473 -2.628 13.276 1.00 -0.57 O ATOM 35 CB LEU A 3 -8.004 -0.285 12.744 1.00 0.00 C ATOM 36 CG LEU A 3 -7.366 0.934 13.455 1.00 0.00 C ATOM 37 CD1 LEU A 3 -5.959 1.174 12.909 1.00 0.00 C ATOM 38 CD2 LEU A 3 -8.216 2.200 13.277 1.00 0.00 C ATOM 0 H LEU A 3 -8.402 -3.219 12.826 1.00 -0.73 H new ATOM 0 HA LEU A 3 -8.225 -1.039 14.744 1.00 0.36 H new ATOM 0 HB2 LEU A 3 -7.278 -0.723 12.060 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.848 0.051 12.141 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.315 0.712 14.521 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.515 2.033 13.413 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.344 0.291 13.086 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.013 1.369 11.838 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.737 3.035 13.789 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.308 2.430 12.216 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.207 2.035 13.700 1.00 0.00 H new ATOM 50 N PHE A 4 -10.746 -0.507 14.048 1.00 -0.73 N ATOM 51 CA PHE A 4 -12.192 -0.485 14.280 1.00 0.36 C ATOM 52 C PHE A 4 -12.992 -1.196 13.172 1.00 0.57 C ATOM 53 O PHE A 4 -12.702 -0.973 12.001 1.00 -0.57 O ATOM 54 CB PHE A 4 -12.640 0.987 14.405 1.00 0.14 C ATOM 55 CG PHE A 4 -13.679 1.259 15.478 1.00 -0.14 C ATOM 56 CD1 PHE A 4 -13.280 1.333 16.824 1.00 -0.15 C ATOM 57 CD2 PHE A 4 -15.020 1.521 15.140 1.00 -0.15 C ATOM 58 CE1 PHE A 4 -14.204 1.695 17.822 1.00 -0.15 C ATOM 59 CE2 PHE A 4 -15.946 1.882 16.133 1.00 -0.15 C ATOM 60 CZ PHE A 4 -15.535 1.979 17.475 1.00 -0.15 C ATOM 0 H PHE A 4 -10.321 0.404 14.219 1.00 -0.73 H new ATOM 0 HA PHE A 4 -12.397 -1.035 15.199 1.00 0.36 H new ATOM 0 HB2 PHE A 4 -11.762 1.601 14.608 1.00 0.14 H new ATOM 0 HB3 PHE A 4 -13.040 1.311 13.444 1.00 0.14 H new ATOM 0 HD1 PHE A 4 -12.258 1.111 17.094 1.00 -0.15 H new ATOM 0 HD2 PHE A 4 -15.339 1.444 14.111 1.00 -0.15 H new ATOM 0 HE1 PHE A 4 -13.890 1.754 18.854 1.00 -0.15 H new ATOM 0 HE2 PHE A 4 -16.973 2.085 15.866 1.00 -0.15 H new ATOM 0 HZ PHE A 4 -16.242 2.271 18.237 1.00 -0.15 H new ATOM 70 N PRO A 5 -14.040 -1.984 13.496 1.00 -0.66 N ATOM 71 CA PRO A 5 -14.814 -2.726 12.498 1.00 0.36 C ATOM 72 C PRO A 5 -15.754 -1.834 11.660 1.00 0.57 C ATOM 73 O PRO A 5 -16.389 -2.324 10.725 1.00 -0.57 O ATOM 74 CB PRO A 5 -15.578 -3.790 13.297 1.00 0.00 C ATOM 75 CG PRO A 5 -15.756 -3.161 14.678 1.00 0.00 C ATOM 76 CD PRO A 5 -14.529 -2.262 14.839 1.00 0.30 C ATOM 0 HA PRO A 5 -14.157 -3.170 11.750 1.00 0.36 H new ATOM 0 HB2 PRO A 5 -16.539 -4.021 12.837 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -15.019 -4.724 13.353 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -16.681 -2.588 14.739 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -15.799 -3.920 15.459 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -14.790 -1.338 15.356 1.00 0.30 H new ATOM 0 HD3 PRO A 5 -13.762 -2.755 15.436 1.00 0.30 H new ATOM 84 N ASN A 6 -15.844 -0.533 11.970 1.00 -0.73 N ATOM 85 CA ASN A 6 -16.599 0.459 11.210 1.00 0.36 C ATOM 86 C ASN A 6 -15.722 1.701 11.050 1.00 0.57 C ATOM 87 O ASN A 6 -15.556 2.470 11.993 1.00 -0.57 O ATOM 88 CB ASN A 6 -17.945 0.789 11.884 1.00 0.06 C ATOM 89 CG ASN A 6 -18.798 1.701 10.992 1.00 0.57 C ATOM 90 OD1 ASN A 6 -18.300 2.585 10.307 1.00 -0.57 O ATOM 91 ND2 ASN A 6 -20.098 1.465 10.927 1.00 -0.80 N ATOM 0 H ASN A 6 -15.376 -0.135 12.784 1.00 -0.73 H new ATOM 0 HA ASN A 6 -16.849 0.059 10.227 1.00 0.36 H new ATOM 0 HB2 ASN A 6 -18.488 -0.133 12.092 1.00 0.06 H new ATOM 0 HB3 ASN A 6 -17.766 1.276 12.843 1.00 0.06 H new ATOM 0 HD21 ASN A 6 -20.687 2.020 10.306 1.00 -0.80 H new ATOM 0 HD22 ASN A 6 -20.512 0.728 11.498 1.00 -0.80 H new ATOM 98 N SER A 7 -15.129 1.827 9.860 1.00 -0.73 N ATOM 99 CA SER A 7 -14.191 2.847 9.398 1.00 0.36 C ATOM 100 C SER A 7 -13.511 2.313 8.133 1.00 0.57 C ATOM 101 O SER A 7 -13.720 2.916 7.075 1.00 -0.57 O ATOM 102 CB SER A 7 -13.148 3.265 10.458 1.00 0.28 C ATOM 103 OG SER A 7 -13.522 4.469 11.100 1.00 -0.68 O ATOM 0 H SER A 7 -15.315 1.146 9.123 1.00 -0.73 H new ATOM 0 HA SER A 7 -14.751 3.759 9.190 1.00 0.36 H new ATOM 0 HB2 SER A 7 -13.042 2.473 11.199 1.00 0.28 H new ATOM 0 HB3 SER A 7 -12.175 3.390 9.984 1.00 0.28 H new ATOM 0 HG SER A 7 -14.324 4.315 11.642 1.00 -0.68 H new ATOM 109 N PRO A 8 -12.766 1.183 8.189 1.00 -0.66 N ATOM 110 CA PRO A 8 -12.058 0.681 7.028 1.00 0.36 C ATOM 111 C PRO A 8 -13.052 0.167 5.985 1.00 0.57 C ATOM 112 O PRO A 8 -14.183 -0.195 6.324 1.00 -0.57 O ATOM 113 CB PRO A 8 -11.114 -0.401 7.549 1.00 0.00 C ATOM 114 CG PRO A 8 -11.769 -0.929 8.816 1.00 0.00 C ATOM 115 CD PRO A 8 -12.618 0.244 9.301 1.00 0.30 C ATOM 0 HA PRO A 8 -11.482 1.454 6.519 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -10.982 -1.195 6.814 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.125 0.007 7.758 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.380 -1.809 8.614 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.027 -1.220 9.559 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.594 -0.105 9.638 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -12.143 0.732 10.152 1.00 0.30 H new ATOM 123 N LYS A 9 -12.586 0.108 4.729 1.00 -0.73 N ATOM 124 CA LYS A 9 -13.351 -0.237 3.535 1.00 0.36 C ATOM 125 C LYS A 9 -14.290 0.902 3.128 1.00 0.57 C ATOM 126 O LYS A 9 -15.266 1.204 3.814 1.00 -0.57 O ATOM 127 CB LYS A 9 -14.111 -1.562 3.719 1.00 0.00 C ATOM 128 CG LYS A 9 -14.218 -2.353 2.409 1.00 0.00 C ATOM 129 CD LYS A 9 -15.667 -2.637 2.002 1.00 0.00 C ATOM 130 CE LYS A 9 -16.296 -3.602 3.012 1.00 0.50 C ATOM 131 NZ LYS A 9 -17.006 -4.729 2.383 1.00 -0.85 N ATOM 0 H LYS A 9 -11.610 0.312 4.514 1.00 -0.73 H new ATOM 0 HA LYS A 9 -12.643 -0.382 2.719 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -13.603 -2.169 4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -15.111 -1.356 4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.725 -1.796 1.613 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.684 -3.297 2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.236 -1.708 1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.698 -3.068 1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.515 -3.993 3.664 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -16.993 -3.051 3.644 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -17.319 -5.395 3.117 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -17.833 -4.372 1.864 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -16.367 -5.217 1.723 1.00 -0.85 H new ATOM 145 N TRP A 10 -13.987 1.531 1.991 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.795 2.597 1.408 1.00 0.36 C ATOM 147 C TRP A 10 -16.233 2.126 1.133 1.00 0.57 C ATOM 148 O TRP A 10 -16.480 0.945 0.883 1.00 -0.57 O ATOM 149 CB TRP A 10 -14.130 3.096 0.118 1.00 0.18 C ATOM 150 CG TRP A 10 -12.647 3.346 0.183 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.689 2.414 -0.033 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.926 4.588 0.470 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.442 2.987 0.077 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.529 4.336 0.323 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -12.296 5.902 0.843 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.560 5.331 0.498 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -11.328 6.906 1.044 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.965 6.624 0.863 1.00 -0.15 C ATOM 0 H TRP A 10 -13.157 1.308 1.441 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.855 3.418 2.123 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -14.319 2.365 -0.669 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.620 4.022 -0.183 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -11.876 1.374 -0.258 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.564 2.475 -0.013 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -13.341 6.140 0.976 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.514 5.106 0.354 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.637 7.898 1.339 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -9.229 7.401 1.004 1.00 -0.15 H new ATOM 169 N THR A 11 -17.175 3.074 1.158 1.00 -0.73 N ATOM 170 CA THR A 11 -18.610 2.855 0.984 1.00 0.36 C ATOM 171 C THR A 11 -19.004 2.639 -0.483 1.00 0.57 C ATOM 172 O THR A 11 -20.083 2.115 -0.764 1.00 -0.57 O ATOM 173 CB THR A 11 -19.336 4.100 1.519 1.00 0.28 C ATOM 174 OG1 THR A 11 -18.758 5.246 0.925 1.00 -0.68 O ATOM 175 CG2 THR A 11 -19.190 4.264 3.035 1.00 0.00 C ATOM 0 H THR A 11 -16.946 4.057 1.307 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.889 1.950 1.524 1.00 0.36 H new ATOM 0 HB THR A 11 -20.393 3.984 1.279 1.00 0.28 H new ATOM 0 HG1 THR A 11 -19.212 6.050 1.255 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -19.722 5.159 3.357 1.00 0.00 H new ATOM 0 HG22 THR A 11 -19.609 3.392 3.537 1.00 0.00 H new ATOM 0 HG23 THR A 11 -18.135 4.358 3.291 1.00 0.00 H new ATOM 183 N SER A 12 -18.163 3.077 -1.425 1.00 -0.73 N ATOM 184 CA SER A 12 -18.287 2.812 -2.849 1.00 0.36 C ATOM 185 C SER A 12 -17.448 1.580 -3.211 1.00 0.57 C ATOM 186 O SER A 12 -16.326 1.411 -2.738 1.00 -0.57 O ATOM 187 CB SER A 12 -17.809 4.046 -3.628 1.00 0.28 C ATOM 188 OG SER A 12 -17.783 3.775 -5.013 1.00 -0.68 O ATOM 0 H SER A 12 -17.348 3.647 -1.201 1.00 -0.73 H new ATOM 0 HA SER A 12 -19.326 2.611 -3.109 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.471 4.889 -3.428 1.00 0.28 H new ATOM 0 HB3 SER A 12 -16.814 4.335 -3.289 1.00 0.28 H new ATOM 0 HG SER A 12 -17.027 4.245 -5.424 1.00 -0.68 H new ATOM 194 N LYS A 13 -17.978 0.763 -4.130 1.00 -0.73 N ATOM 195 CA LYS A 13 -17.282 -0.359 -4.774 1.00 0.36 C ATOM 196 C LYS A 13 -16.265 0.104 -5.825 1.00 0.57 C ATOM 197 O LYS A 13 -15.502 -0.716 -6.339 1.00 -0.57 O ATOM 198 CB LYS A 13 -18.330 -1.279 -5.427 1.00 0.00 C ATOM 199 CG LYS A 13 -18.932 -0.638 -6.694 1.00 0.00 C ATOM 200 CD LYS A 13 -20.301 -1.195 -7.112 1.00 0.00 C ATOM 201 CE LYS A 13 -21.234 -0.051 -7.555 1.00 0.50 C ATOM 202 NZ LYS A 13 -22.095 0.414 -6.440 1.00 -0.85 N ATOM 0 H LYS A 13 -18.938 0.869 -4.458 1.00 -0.73 H new ATOM 0 HA LYS A 13 -16.721 -0.894 -4.008 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -17.869 -2.233 -5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -19.125 -1.492 -4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -19.027 0.435 -6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -18.233 -0.774 -7.519 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -20.177 -1.908 -7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -20.750 -1.737 -6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -20.638 0.782 -7.927 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -21.859 -0.390 -8.381 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -22.710 1.184 -6.774 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -22.682 -0.375 -6.102 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -21.498 0.760 -5.662 1.00 -0.85 H new ATOM 216 N VAL A 14 -16.302 1.395 -6.168 1.00 -0.73 N ATOM 217 CA VAL A 14 -15.402 2.057 -7.093 1.00 0.36 C ATOM 218 C VAL A 14 -14.792 3.217 -6.313 1.00 0.57 C ATOM 219 O VAL A 14 -15.488 4.161 -5.931 1.00 -0.57 O ATOM 220 CB VAL A 14 -16.095 2.415 -8.430 1.00 0.00 C ATOM 221 CG1 VAL A 14 -17.354 3.291 -8.322 1.00 0.00 C ATOM 222 CG2 VAL A 14 -15.095 3.073 -9.393 1.00 0.00 C ATOM 0 H VAL A 14 -17.000 2.032 -5.783 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.595 1.410 -7.438 1.00 0.36 H new ATOM 0 HB VAL A 14 -16.445 1.457 -8.814 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -17.754 3.478 -9.319 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -18.104 2.778 -7.720 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -17.098 4.240 -7.850 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -15.598 3.318 -10.328 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.702 3.984 -8.942 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -14.275 2.384 -9.593 1.00 0.00 H new ATOM 232 N VAL A 15 -13.505 3.084 -6.013 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.714 4.067 -5.280 1.00 0.36 C ATOM 234 C VAL A 15 -11.880 4.816 -6.316 1.00 0.57 C ATOM 235 O VAL A 15 -11.653 4.311 -7.422 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.842 3.332 -4.240 1.00 0.00 C ATOM 237 CG1 VAL A 15 -10.981 4.275 -3.388 1.00 0.00 C ATOM 238 CG2 VAL A 15 -12.713 2.524 -3.268 1.00 0.00 C ATOM 0 H VAL A 15 -12.965 2.262 -6.282 1.00 -0.73 H new ATOM 0 HA VAL A 15 -13.330 4.780 -4.731 1.00 0.36 H new ATOM 0 HB VAL A 15 -11.189 2.687 -4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.394 3.691 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.310 4.840 -4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.626 4.965 -2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -12.075 2.015 -2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -13.392 3.196 -2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.291 1.786 -3.825 1.00 0.00 H new ATOM 248 N THR A 16 -11.412 6.013 -5.977 1.00 -0.73 N ATOM 249 CA THR A 16 -10.654 6.828 -6.905 1.00 0.36 C ATOM 250 C THR A 16 -9.175 6.828 -6.489 1.00 0.57 C ATOM 251 O THR A 16 -8.852 6.919 -5.303 1.00 -0.57 O ATOM 252 CB THR A 16 -11.306 8.216 -7.053 1.00 0.28 C ATOM 253 OG1 THR A 16 -11.055 9.050 -5.954 1.00 -0.68 O ATOM 254 CG2 THR A 16 -12.828 8.170 -7.258 1.00 0.00 C ATOM 0 H THR A 16 -11.548 6.437 -5.060 1.00 -0.73 H new ATOM 0 HA THR A 16 -10.674 6.410 -7.911 1.00 0.36 H new ATOM 0 HB THR A 16 -10.839 8.620 -7.951 1.00 0.28 H new ATOM 0 HG1 THR A 16 -11.488 9.918 -6.096 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -13.213 9.185 -7.354 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.056 7.608 -8.164 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.296 7.684 -6.402 1.00 0.00 H new ATOM 262 N TYR A 17 -8.255 6.753 -7.459 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.814 6.857 -7.204 1.00 0.36 C ATOM 264 C TYR A 17 -6.193 7.916 -8.119 1.00 0.57 C ATOM 265 O TYR A 17 -6.754 8.235 -9.170 1.00 -0.57 O ATOM 266 CB TYR A 17 -6.129 5.486 -7.353 1.00 0.14 C ATOM 267 CG TYR A 17 -6.113 4.904 -8.759 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -7.192 4.122 -9.208 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -5.014 5.127 -9.617 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -7.189 3.574 -10.503 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -5.000 4.582 -10.914 1.00 -0.15 C ATOM 272 CZ TYR A 17 -6.091 3.800 -11.363 1.00 0.08 C ATOM 273 OH TYR A 17 -6.088 3.258 -12.614 1.00 -0.53 O ATOM 0 H TYR A 17 -8.489 6.618 -8.443 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.658 7.177 -6.174 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -5.100 5.575 -7.005 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.628 4.777 -6.692 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -8.031 3.941 -8.552 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -4.178 5.720 -9.275 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -8.026 2.980 -10.840 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -4.158 4.760 -11.566 1.00 -0.15 H new ATOM 0 HH TYR A 17 -5.262 3.509 -13.077 1.00 -0.53 H new ATOM 283 N ARG A 18 -5.032 8.472 -7.728 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.228 9.318 -8.616 1.00 0.36 C ATOM 285 C ARG A 18 -2.780 9.365 -8.137 1.00 0.57 C ATOM 286 O ARG A 18 -2.485 9.875 -7.057 1.00 -0.57 O ATOM 287 CB ARG A 18 -4.795 10.751 -8.719 1.00 0.00 C ATOM 288 CG ARG A 18 -4.630 11.284 -10.149 1.00 0.00 C ATOM 289 CD ARG A 18 -4.790 12.806 -10.245 1.00 0.33 C ATOM 290 NE ARG A 18 -3.482 13.473 -10.146 1.00 -0.84 N ATOM 291 CZ ARG A 18 -3.170 14.688 -10.614 1.00 1.20 C ATOM 292 NH1 ARG A 18 -4.093 15.493 -11.145 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -1.913 15.114 -10.554 1.00 -0.97 N ATOM 0 H ARG A 18 -4.632 8.347 -6.798 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.267 8.873 -9.610 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -5.849 10.754 -8.441 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.279 11.406 -8.017 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.646 11.004 -10.524 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.365 10.806 -10.796 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.267 13.068 -11.190 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -5.445 13.159 -9.449 1.00 0.33 H new ATOM 0 HE ARG A 18 -2.739 12.958 -9.674 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -5.064 15.187 -11.202 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -3.827 16.414 -11.494 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -1.191 14.516 -10.153 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -1.670 16.039 -10.909 1.00 -0.97 H new ATOM 307 N ILE A 19 -1.854 8.851 -8.935 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.448 8.832 -8.571 1.00 0.36 C ATOM 309 C ILE A 19 0.117 10.238 -8.908 1.00 0.57 C ATOM 310 O ILE A 19 0.464 10.503 -10.051 1.00 -0.57 O ATOM 311 CB ILE A 19 0.215 7.621 -9.266 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.438 6.254 -8.914 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.692 7.544 -8.877 1.00 0.00 C ATOM 314 CD1 ILE A 19 -0.363 5.242 -10.067 1.00 0.00 C ATOM 0 H ILE A 19 -2.056 8.439 -9.846 1.00 -0.73 H new ATOM 0 HA ILE A 19 -0.246 8.676 -7.511 1.00 0.36 H new ATOM 0 HB ILE A 19 0.081 7.788 -10.335 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.056 5.836 -8.037 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.482 6.414 -8.645 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.154 6.689 -9.370 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.198 8.458 -9.187 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.778 7.430 -7.796 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.835 4.308 -9.762 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.882 5.643 -10.938 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.681 5.056 -10.320 1.00 0.00 H new ATOM 326 N VAL A 20 0.092 11.196 -7.965 1.00 -0.73 N ATOM 327 CA VAL A 20 0.478 12.603 -8.175 1.00 0.36 C ATOM 328 C VAL A 20 1.959 12.795 -8.535 1.00 0.57 C ATOM 329 O VAL A 20 2.311 13.800 -9.154 1.00 -0.57 O ATOM 330 CB VAL A 20 0.139 13.484 -6.944 1.00 0.00 C ATOM 331 CG1 VAL A 20 -1.369 13.731 -6.805 1.00 0.00 C ATOM 332 CG2 VAL A 20 0.694 12.930 -5.623 1.00 0.00 C ATOM 0 H VAL A 20 -0.206 11.008 -7.008 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.113 12.923 -9.033 1.00 0.36 H new ATOM 0 HB VAL A 20 0.638 14.434 -7.138 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.557 14.352 -5.929 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.738 14.239 -7.696 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.885 12.778 -6.691 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.419 13.596 -4.805 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.277 11.940 -5.440 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.780 12.861 -5.685 1.00 0.00 H new ATOM 342 N SER A 21 2.819 11.866 -8.135 1.00 -0.73 N ATOM 343 CA SER A 21 4.255 11.827 -8.382 1.00 0.36 C ATOM 344 C SER A 21 4.554 10.328 -8.477 1.00 0.57 C ATOM 345 O SER A 21 3.795 9.530 -7.929 1.00 -0.57 O ATOM 346 CB SER A 21 4.998 12.573 -7.250 1.00 0.28 C ATOM 347 OG SER A 21 6.280 12.039 -6.977 1.00 -0.68 O ATOM 0 H SER A 21 2.508 11.062 -7.590 1.00 -0.73 H new ATOM 0 HA SER A 21 4.589 12.333 -9.288 1.00 0.36 H new ATOM 0 HB2 SER A 21 5.100 13.624 -7.522 1.00 0.28 H new ATOM 0 HB3 SER A 21 4.395 12.536 -6.343 1.00 0.28 H new ATOM 0 HG SER A 21 6.631 12.436 -6.152 1.00 -0.68 H new ATOM 353 N TYR A 22 5.616 9.929 -9.177 1.00 -0.73 N ATOM 354 CA TYR A 22 5.798 8.540 -9.603 1.00 0.36 C ATOM 355 C TYR A 22 7.242 8.097 -9.354 1.00 0.57 C ATOM 356 O TYR A 22 7.853 7.481 -10.227 1.00 -0.57 O ATOM 357 CB TYR A 22 5.413 8.364 -11.082 1.00 0.14 C ATOM 358 CG TYR A 22 3.984 8.657 -11.523 1.00 -0.14 C ATOM 359 CD1 TYR A 22 3.580 9.971 -11.821 1.00 -0.15 C ATOM 360 CD2 TYR A 22 3.111 7.587 -11.810 1.00 -0.15 C ATOM 361 CE1 TYR A 22 2.313 10.210 -12.387 1.00 -0.15 C ATOM 362 CE2 TYR A 22 1.842 7.816 -12.362 1.00 -0.15 C ATOM 363 CZ TYR A 22 1.430 9.136 -12.642 1.00 0.08 C ATOM 364 OH TYR A 22 0.184 9.365 -13.146 1.00 -0.53 O ATOM 0 H TYR A 22 6.370 10.554 -9.463 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.136 7.906 -9.012 1.00 0.36 H new ATOM 0 HB2 TYR A 22 6.074 9.001 -11.670 1.00 0.14 H new ATOM 0 HB3 TYR A 22 5.635 7.333 -11.357 1.00 0.14 H new ATOM 0 HD1 TYR A 22 4.243 10.798 -11.615 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 3.425 6.575 -11.601 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 2.014 11.220 -12.628 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 1.184 6.986 -12.572 1.00 -0.15 H new ATOM 0 HH TYR A 22 -0.285 8.512 -13.259 1.00 -0.53 H new ATOM 374 N THR A 23 7.790 8.438 -8.179 1.00 -0.73 N ATOM 375 CA THR A 23 9.213 8.326 -7.858 1.00 0.36 C ATOM 376 C THR A 23 10.063 8.926 -8.994 1.00 0.57 C ATOM 377 O THR A 23 9.612 9.818 -9.721 1.00 -0.57 O ATOM 378 CB THR A 23 9.563 6.882 -7.392 1.00 0.28 C ATOM 379 OG1 THR A 23 10.887 6.788 -6.916 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.383 5.746 -8.399 1.00 0.00 C ATOM 0 H THR A 23 7.237 8.809 -7.407 1.00 -0.73 H new ATOM 0 HA THR A 23 9.471 8.934 -6.991 1.00 0.36 H new ATOM 0 HB THR A 23 8.815 6.734 -6.613 1.00 0.28 H new ATOM 0 HG1 THR A 23 10.905 6.237 -6.106 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.665 4.801 -7.935 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.340 5.700 -8.713 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.016 5.927 -9.268 1.00 0.00 H new ATOM 388 N ARG A 24 11.304 8.453 -9.132 1.00 -0.73 N ATOM 389 CA ARG A 24 12.196 8.836 -10.224 1.00 0.36 C ATOM 390 C ARG A 24 13.083 7.680 -10.699 1.00 0.57 C ATOM 391 O ARG A 24 13.514 7.705 -11.850 1.00 -0.57 O ATOM 392 CB ARG A 24 12.996 10.088 -9.798 1.00 0.00 C ATOM 393 CG ARG A 24 13.416 10.965 -10.989 1.00 0.00 C ATOM 394 CD ARG A 24 14.811 10.631 -11.538 1.00 0.33 C ATOM 395 NE ARG A 24 14.887 10.888 -12.985 1.00 -0.84 N ATOM 396 CZ ARG A 24 15.968 11.230 -13.703 1.00 1.20 C ATOM 397 NH1 ARG A 24 17.143 11.482 -13.120 1.00 -0.97 N ATOM 398 NH2 ARG A 24 15.841 11.325 -15.028 1.00 -0.97 N ATOM 0 H ARG A 24 11.720 7.787 -8.481 1.00 -0.73 H new ATOM 0 HA ARG A 24 11.599 9.090 -11.100 1.00 0.36 H new ATOM 0 HB2 ARG A 24 12.393 10.682 -9.111 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.886 9.776 -9.252 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.684 10.852 -11.788 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.396 12.011 -10.684 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.562 11.228 -11.020 1.00 0.33 H new ATOM 0 HD3 ARG A 24 15.043 9.585 -11.339 1.00 0.33 H new ATOM 0 HE ARG A 24 14.014 10.795 -13.504 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 17.234 11.416 -12.106 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 17.950 11.740 -13.689 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 14.940 11.140 -15.469 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 16.645 11.583 -15.600 1.00 -0.97 H new ATOM 412 N ASP A 25 13.325 6.657 -9.862 1.00 -0.73 N ATOM 413 CA ASP A 25 14.141 5.493 -10.220 1.00 0.36 C ATOM 414 C ASP A 25 13.500 4.683 -11.362 1.00 0.57 C ATOM 415 O ASP A 25 14.184 4.294 -12.309 1.00 -0.57 O ATOM 416 CB ASP A 25 14.375 4.626 -8.966 1.00 0.06 C ATOM 417 CG ASP A 25 15.519 3.608 -9.140 1.00 0.66 C ATOM 418 OD1 ASP A 25 15.509 2.859 -10.103 1.00 -0.57 O ATOM 419 OD2 ASP A 25 16.497 3.657 -8.240 1.00 -0.65 O ATOM 0 H ASP A 25 12.956 6.618 -8.912 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.106 5.839 -10.591 1.00 0.36 H new ATOM 0 HB2 ASP A 25 14.600 5.275 -8.120 1.00 0.06 H new ATOM 0 HB3 ASP A 25 13.456 4.093 -8.724 1.00 0.06 H new ATOM 425 N LEU A 26 12.167 4.530 -11.336 1.00 -0.73 N ATOM 426 CA LEU A 26 11.383 3.818 -12.348 1.00 0.36 C ATOM 427 C LEU A 26 10.334 4.775 -12.935 1.00 0.57 C ATOM 428 O LEU A 26 9.905 5.697 -12.239 1.00 -0.57 O ATOM 429 CB LEU A 26 10.740 2.516 -11.805 1.00 0.00 C ATOM 430 CG LEU A 26 10.278 2.523 -10.330 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.991 1.712 -10.134 1.00 0.00 C ATOM 432 CD2 LEU A 26 11.350 1.923 -9.404 1.00 0.00 C ATOM 0 H LEU A 26 11.591 4.911 -10.586 1.00 -0.73 H new ATOM 0 HA LEU A 26 12.059 3.495 -13.140 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.878 2.278 -12.429 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.458 1.706 -11.931 1.00 0.00 H new ATOM 0 HG LEU A 26 10.101 3.568 -10.076 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.699 1.741 -9.084 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.195 2.139 -10.744 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.163 0.678 -10.434 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.994 1.943 -8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.550 0.893 -9.699 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.267 2.507 -9.482 1.00 0.00 H new ATOM 444 N PRO A 27 9.924 4.594 -14.209 1.00 -0.66 N ATOM 445 CA PRO A 27 9.038 5.530 -14.896 1.00 0.36 C ATOM 446 C PRO A 27 7.579 5.422 -14.436 1.00 0.57 C ATOM 447 O PRO A 27 7.145 4.383 -13.940 1.00 -0.57 O ATOM 448 CB PRO A 27 9.188 5.213 -16.389 1.00 0.00 C ATOM 449 CG PRO A 27 9.650 3.757 -16.438 1.00 0.00 C ATOM 450 CD PRO A 27 10.402 3.564 -15.123 1.00 0.30 C ATOM 0 HA PRO A 27 9.315 6.559 -14.668 1.00 0.36 H new ATOM 0 HB2 PRO A 27 8.244 5.346 -16.918 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.914 5.874 -16.862 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.805 3.073 -16.519 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.294 3.571 -17.297 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.219 2.570 -14.715 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.478 3.652 -15.276 1.00 0.30 H new ATOM 458 N HIS A 28 6.799 6.483 -14.681 1.00 -0.73 N ATOM 459 CA HIS A 28 5.385 6.590 -14.310 1.00 0.36 C ATOM 460 C HIS A 28 4.503 5.508 -14.933 1.00 0.57 C ATOM 461 O HIS A 28 3.600 5.010 -14.264 1.00 -0.57 O ATOM 462 CB HIS A 28 4.851 7.993 -14.648 1.00 0.17 C ATOM 463 CG HIS A 28 5.304 8.553 -15.971 1.00 0.18 C ATOM 464 ND1 HIS A 28 6.304 9.484 -16.139 1.00 -0.70 N ATOM 465 CD2 HIS A 28 4.813 8.257 -17.215 1.00 0.20 C ATOM 466 CE1 HIS A 28 6.419 9.728 -17.455 1.00 0.65 C ATOM 467 NE2 HIS A 28 5.544 8.988 -18.161 1.00 -0.70 N ATOM 0 H HIS A 28 7.147 7.315 -15.157 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.335 6.430 -13.233 1.00 0.36 H new ATOM 0 HB2 HIS A 28 3.762 7.961 -14.640 1.00 0.17 H new ATOM 0 HB3 HIS A 28 5.156 8.680 -13.858 1.00 0.17 H new ATOM 0 HD2 HIS A 28 4.002 7.577 -17.430 1.00 0.20 H new ATOM 0 HE1 HIS A 28 7.120 10.425 -17.889 1.00 0.65 H new ATOM 0 HE2 HIS A 28 5.435 8.964 -19.175 1.00 -0.70 H new ATOM 476 N ILE A 29 4.779 5.108 -16.179 1.00 -0.73 N ATOM 477 CA ILE A 29 4.072 4.003 -16.823 1.00 0.36 C ATOM 478 C ILE A 29 4.349 2.692 -16.072 1.00 0.57 C ATOM 479 O ILE A 29 3.428 1.903 -15.872 1.00 -0.57 O ATOM 480 CB ILE A 29 4.416 3.949 -18.334 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.623 2.849 -19.088 1.00 0.00 C ATOM 482 CG2 ILE A 29 5.924 3.805 -18.620 1.00 0.00 C ATOM 483 CD1 ILE A 29 2.585 3.437 -20.050 1.00 0.00 C ATOM 0 H ILE A 29 5.495 5.540 -16.764 1.00 -0.73 H new ATOM 0 HA ILE A 29 2.995 4.164 -16.768 1.00 0.36 H new ATOM 0 HB ILE A 29 4.105 4.921 -18.718 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.318 2.221 -19.646 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.122 2.205 -18.365 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.089 3.774 -19.697 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.458 4.655 -18.196 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.293 2.884 -18.170 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.056 2.628 -20.554 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.872 4.043 -19.490 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.087 4.059 -20.791 1.00 0.00 H new ATOM 495 N THR A 30 5.587 2.479 -15.609 1.00 -0.73 N ATOM 496 CA THR A 30 5.935 1.327 -14.792 1.00 0.36 C ATOM 497 C THR A 30 5.290 1.465 -13.418 1.00 0.57 C ATOM 498 O THR A 30 4.660 0.507 -12.996 1.00 -0.57 O ATOM 499 CB THR A 30 7.459 1.126 -14.768 1.00 0.28 C ATOM 500 OG1 THR A 30 7.814 0.530 -16.006 1.00 -0.68 O ATOM 501 CG2 THR A 30 7.988 0.209 -13.664 1.00 0.00 C ATOM 0 H THR A 30 6.371 3.105 -15.795 1.00 -0.73 H new ATOM 0 HA THR A 30 5.534 0.411 -15.225 1.00 0.36 H new ATOM 0 HB THR A 30 7.896 2.108 -14.584 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.783 0.385 -16.033 1.00 -0.68 H new ATOM 0 HG21 THR A 30 9.073 0.137 -13.739 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.718 0.618 -12.691 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.550 -0.783 -13.774 1.00 0.00 H new ATOM 509 N VAL A 31 5.353 2.615 -12.741 1.00 -0.73 N ATOM 510 CA VAL A 31 4.669 2.804 -11.461 1.00 0.36 C ATOM 511 C VAL A 31 3.177 2.474 -11.598 1.00 0.57 C ATOM 512 O VAL A 31 2.676 1.697 -10.788 1.00 -0.57 O ATOM 513 CB VAL A 31 4.925 4.223 -10.919 1.00 0.00 C ATOM 514 CG1 VAL A 31 3.913 4.637 -9.841 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.341 4.345 -10.344 1.00 0.00 C ATOM 0 H VAL A 31 5.873 3.432 -13.061 1.00 -0.73 H new ATOM 0 HA VAL A 31 5.076 2.111 -10.725 1.00 0.36 H new ATOM 0 HB VAL A 31 4.810 4.894 -11.770 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.142 5.645 -9.495 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.907 4.616 -10.259 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.971 3.944 -9.002 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.495 5.357 -9.968 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.465 3.632 -9.529 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.071 4.133 -11.126 1.00 0.00 H new ATOM 525 N ASP A 32 2.487 2.995 -12.623 1.00 -0.73 N ATOM 526 CA ASP A 32 1.083 2.676 -12.868 1.00 0.36 C ATOM 527 C ASP A 32 0.909 1.184 -13.168 1.00 0.57 C ATOM 528 O ASP A 32 0.057 0.554 -12.556 1.00 -0.57 O ATOM 529 CB ASP A 32 0.522 3.544 -14.003 1.00 0.06 C ATOM 530 CG ASP A 32 -0.990 3.348 -14.188 1.00 0.66 C ATOM 531 OD1 ASP A 32 -1.377 2.366 -14.799 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.797 4.279 -13.687 1.00 -0.65 O ATOM 0 H ASP A 32 2.888 3.645 -13.299 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.515 2.900 -11.965 1.00 0.36 H new ATOM 0 HB2 ASP A 32 0.728 4.593 -13.792 1.00 0.06 H new ATOM 0 HB3 ASP A 32 1.035 3.300 -14.933 1.00 0.06 H new ATOM 538 N ARG A 33 1.743 0.574 -14.026 1.00 -0.73 N ATOM 539 CA ARG A 33 1.654 -0.861 -14.324 1.00 0.36 C ATOM 540 C ARG A 33 1.875 -1.744 -13.099 1.00 0.57 C ATOM 541 O ARG A 33 1.203 -2.767 -12.946 1.00 -0.57 O ATOM 542 CB ARG A 33 2.662 -1.264 -15.422 1.00 0.00 C ATOM 543 CG ARG A 33 2.083 -1.148 -16.835 1.00 0.00 C ATOM 544 CD ARG A 33 0.864 -2.076 -16.965 1.00 0.33 C ATOM 545 NE ARG A 33 0.956 -3.062 -18.046 1.00 -0.84 N ATOM 546 CZ ARG A 33 -0.055 -3.872 -18.395 1.00 1.20 C ATOM 547 NH1 ARG A 33 -1.211 -3.822 -17.737 1.00 -0.97 N ATOM 548 NH2 ARG A 33 0.128 -4.729 -19.385 1.00 -0.97 N ATOM 0 H ARG A 33 2.489 1.057 -14.526 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.635 -1.025 -14.674 1.00 0.36 H new ATOM 0 HB2 ARG A 33 3.547 -0.633 -15.345 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.987 -2.290 -15.251 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.792 -0.117 -17.037 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.839 -1.417 -17.573 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.724 -2.604 -16.022 1.00 0.33 H new ATOM 0 HD3 ARG A 33 -0.025 -1.465 -17.124 1.00 0.33 H new ATOM 0 HE ARG A 33 1.834 -3.136 -18.559 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 -1.330 -3.166 -16.965 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 -1.978 -4.439 -18.005 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 1.025 -4.766 -19.868 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 -0.628 -5.353 -19.665 1.00 -0.97 H new ATOM 562 N LEU A 34 2.833 -1.370 -12.260 1.00 -0.73 N ATOM 563 CA LEU A 34 3.183 -2.061 -11.036 1.00 0.36 C ATOM 564 C LEU A 34 2.050 -1.895 -10.022 1.00 0.57 C ATOM 565 O LEU A 34 1.570 -2.898 -9.498 1.00 -0.57 O ATOM 566 CB LEU A 34 4.543 -1.532 -10.542 1.00 0.00 C ATOM 567 CG LEU A 34 5.764 -1.979 -11.392 1.00 0.00 C ATOM 568 CD1 LEU A 34 7.051 -1.523 -10.699 1.00 0.00 C ATOM 569 CD2 LEU A 34 5.834 -3.476 -11.722 1.00 0.00 C ATOM 0 H LEU A 34 3.407 -0.543 -12.425 1.00 -0.73 H new ATOM 0 HA LEU A 34 3.298 -3.133 -11.196 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.509 -0.443 -10.526 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.694 -1.862 -9.514 1.00 0.00 H new ATOM 0 HG LEU A 34 5.640 -1.497 -12.362 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.912 -1.834 -11.290 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.048 -0.437 -10.604 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.110 -1.973 -9.708 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.725 -3.676 -12.318 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.880 -4.051 -10.797 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.947 -3.766 -12.286 1.00 0.00 H new ATOM 581 N VAL A 35 1.534 -0.680 -9.808 1.00 -0.73 N ATOM 582 CA VAL A 35 0.331 -0.482 -9.000 1.00 0.36 C ATOM 583 C VAL A 35 -0.854 -1.249 -9.592 1.00 0.57 C ATOM 584 O VAL A 35 -1.616 -1.835 -8.831 1.00 -0.57 O ATOM 585 CB VAL A 35 0.063 1.028 -8.798 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.410 1.393 -8.565 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.890 1.499 -7.589 1.00 0.00 C ATOM 0 H VAL A 35 1.933 0.180 -10.184 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.485 -0.900 -8.005 1.00 0.36 H new ATOM 0 HB VAL A 35 0.349 1.525 -9.725 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.501 2.471 -8.434 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.003 1.081 -9.425 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.773 0.887 -7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.719 2.563 -7.424 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.589 0.941 -6.702 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.949 1.327 -7.783 1.00 0.00 H new ATOM 597 N SER A 36 -0.993 -1.315 -10.918 1.00 -0.73 N ATOM 598 CA SER A 36 -2.050 -2.050 -11.594 1.00 0.36 C ATOM 599 C SER A 36 -1.950 -3.541 -11.254 1.00 0.57 C ATOM 600 O SER A 36 -2.897 -4.074 -10.679 1.00 -0.57 O ATOM 601 CB SER A 36 -2.006 -1.736 -13.099 1.00 0.28 C ATOM 602 OG SER A 36 -3.023 -2.389 -13.831 1.00 -0.68 O ATOM 0 H SER A 36 -0.356 -0.846 -11.561 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.033 -1.735 -11.245 1.00 0.36 H new ATOM 0 HB2 SER A 36 -2.097 -0.659 -13.242 1.00 0.28 H new ATOM 0 HB3 SER A 36 -1.035 -2.029 -13.497 1.00 0.28 H new ATOM 0 HG SER A 36 -2.947 -2.152 -14.779 1.00 -0.68 H new ATOM 608 N LYS A 37 -0.814 -4.221 -11.502 1.00 -0.73 N ATOM 609 CA LYS A 37 -0.690 -5.646 -11.147 1.00 0.36 C ATOM 610 C LYS A 37 -0.817 -5.885 -9.629 1.00 0.57 C ATOM 611 O LYS A 37 -1.354 -6.922 -9.237 1.00 -0.57 O ATOM 612 CB LYS A 37 0.577 -6.308 -11.747 1.00 0.00 C ATOM 613 CG LYS A 37 1.909 -5.711 -11.251 1.00 0.00 C ATOM 614 CD LYS A 37 3.059 -6.682 -10.925 1.00 0.00 C ATOM 615 CE LYS A 37 3.893 -7.162 -12.122 1.00 0.50 C ATOM 616 NZ LYS A 37 5.241 -7.633 -11.698 1.00 -0.85 N ATOM 0 H LYS A 37 0.015 -3.816 -11.938 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.539 -6.148 -11.612 1.00 0.36 H new ATOM 0 HB2 LYS A 37 0.561 -7.372 -11.512 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.537 -6.221 -12.833 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.265 -5.014 -12.009 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.700 -5.128 -10.354 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.727 -6.197 -10.213 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.640 -7.556 -10.425 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.368 -7.970 -12.631 1.00 0.50 H new ATOM 0 HE3 LYS A 37 4.000 -6.349 -12.841 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 5.776 -7.950 -12.532 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 5.751 -6.854 -11.234 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 5.138 -8.425 -11.031 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.365 -4.943 -8.788 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.429 -5.036 -7.331 1.00 0.36 C ATOM 632 C ALA A 38 -1.856 -4.864 -6.799 1.00 0.57 C ATOM 633 O ALA A 38 -2.297 -5.637 -5.946 1.00 -0.57 O ATOM 634 CB ALA A 38 0.477 -3.956 -6.735 1.00 0.00 C ATOM 0 H ALA A 38 0.064 -4.077 -9.115 1.00 -0.73 H new ATOM 0 HA ALA A 38 -0.096 -6.031 -7.037 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.441 -4.011 -5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.501 -4.113 -7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.134 -2.974 -7.060 1.00 0.00 H new ATOM 640 N LEU A 39 -2.597 -3.874 -7.306 1.00 -0.73 N ATOM 641 CA LEU A 39 -4.009 -3.714 -6.984 1.00 0.36 C ATOM 642 C LEU A 39 -4.814 -4.860 -7.574 1.00 0.57 C ATOM 643 O LEU A 39 -5.798 -5.253 -6.960 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.573 -2.375 -7.489 1.00 0.00 C ATOM 645 CG LEU A 39 -4.230 -1.171 -6.594 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.770 0.112 -7.236 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.818 -1.307 -5.176 1.00 0.00 C ATOM 0 H LEU A 39 -2.234 -3.168 -7.946 1.00 -0.73 H new ATOM 0 HA LEU A 39 -4.093 -3.722 -5.897 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -4.192 -2.188 -8.493 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.657 -2.457 -7.570 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.144 -1.133 -6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.528 0.966 -6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.315 0.247 -8.217 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.852 0.037 -7.345 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.548 -0.432 -4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.904 -1.382 -5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.419 -2.203 -4.701 1.00 0.00 H new ATOM 659 N ASN A 40 -4.399 -5.428 -8.716 1.00 -0.73 N ATOM 660 CA ASN A 40 -5.008 -6.643 -9.245 1.00 0.36 C ATOM 661 C ASN A 40 -4.859 -7.776 -8.229 1.00 0.57 C ATOM 662 O ASN A 40 -5.839 -8.458 -7.988 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.408 -7.028 -10.610 1.00 0.06 C ATOM 664 CG ASN A 40 -5.367 -7.802 -11.515 1.00 0.57 C ATOM 665 OD1 ASN A 40 -6.167 -8.615 -11.066 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -5.268 -7.564 -12.817 1.00 -0.80 N ATOM 0 H ASN A 40 -3.640 -5.058 -9.288 1.00 -0.73 H new ATOM 0 HA ASN A 40 -6.069 -6.458 -9.410 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -4.091 -6.121 -11.125 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -3.514 -7.630 -10.446 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -5.867 -8.064 -13.474 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -4.593 -6.881 -13.161 1.00 -0.80 H new ATOM 673 N MET A 41 -3.689 -7.955 -7.592 1.00 -0.73 N ATOM 674 CA MET A 41 -3.508 -8.948 -6.526 1.00 0.36 C ATOM 675 C MET A 41 -4.428 -8.668 -5.324 1.00 0.57 C ATOM 676 O MET A 41 -5.104 -9.591 -4.880 1.00 -0.57 O ATOM 677 CB MET A 41 -2.026 -9.040 -6.118 1.00 0.00 C ATOM 678 CG MET A 41 -1.202 -9.883 -7.105 1.00 0.23 C ATOM 679 SD MET A 41 0.514 -9.339 -7.392 1.00 -0.46 S ATOM 680 CE MET A 41 1.268 -9.559 -5.758 1.00 0.23 C ATOM 0 H MET A 41 -2.848 -7.417 -7.802 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.803 -9.922 -6.916 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.604 -8.037 -6.060 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.952 -9.475 -5.121 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.179 -10.910 -6.742 1.00 0.23 H new ATOM 0 HG3 MET A 41 -1.722 -9.895 -8.063 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.316 -9.262 -5.798 1.00 0.23 H new ATOM 0 HE2 MET A 41 0.743 -8.941 -5.029 1.00 0.23 H new ATOM 0 HE3 MET A 41 1.199 -10.606 -5.463 1.00 0.23 H new ATOM 690 N TRP A 42 -4.547 -7.420 -4.844 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.519 -7.077 -3.791 1.00 0.36 C ATOM 692 C TRP A 42 -6.971 -7.364 -4.242 1.00 0.57 C ATOM 693 O TRP A 42 -7.737 -8.023 -3.536 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.333 -5.606 -3.361 1.00 0.18 C ATOM 695 CG TRP A 42 -4.299 -5.367 -2.294 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -2.983 -5.112 -2.477 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.489 -5.365 -0.844 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.358 -5.005 -1.248 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.215 -5.284 -0.213 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.608 -5.425 0.007 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.046 -5.423 1.171 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.461 -5.482 1.407 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.182 -5.536 1.987 1.00 -0.15 C ATOM 0 H TRP A 42 -3.984 -6.633 -5.167 1.00 -0.73 H new ATOM 0 HA TRP A 42 -5.331 -7.713 -2.926 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -5.064 -5.020 -4.240 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.291 -5.226 -3.005 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.496 -5.008 -3.435 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.378 -4.750 -1.126 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.599 -5.427 -0.422 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.056 -5.443 1.603 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.337 -5.484 2.039 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.074 -5.664 3.054 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.344 -6.923 -5.448 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.661 -7.141 -6.041 1.00 0.36 C ATOM 716 C GLY A 43 -8.930 -8.611 -6.383 1.00 0.57 C ATOM 717 O GLY A 43 -10.077 -9.013 -6.563 1.00 -0.57 O ATOM 0 H GLY A 43 -6.719 -6.390 -6.052 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.427 -6.789 -5.350 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -8.749 -6.541 -6.947 1.00 0.36 H new ATOM 721 N LYS A 44 -7.882 -9.439 -6.446 1.00 -0.73 N ATOM 722 CA LYS A 44 -7.999 -10.880 -6.639 1.00 0.36 C ATOM 723 C LYS A 44 -8.725 -11.514 -5.452 1.00 0.57 C ATOM 724 O LYS A 44 -9.403 -12.524 -5.636 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.593 -11.483 -6.865 1.00 0.00 C ATOM 726 CG LYS A 44 -6.568 -12.688 -7.813 1.00 0.00 C ATOM 727 CD LYS A 44 -6.923 -14.007 -7.113 1.00 0.00 C ATOM 728 CE LYS A 44 -7.930 -14.815 -7.934 1.00 0.50 C ATOM 729 NZ LYS A 44 -7.268 -15.736 -8.880 1.00 -0.85 N ATOM 0 H LYS A 44 -6.917 -9.118 -6.363 1.00 -0.73 H new ATOM 0 HA LYS A 44 -8.597 -11.093 -7.525 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -5.938 -10.708 -7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.181 -11.784 -5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.269 -12.516 -8.630 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.576 -12.774 -8.257 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.018 -14.596 -6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.338 -13.798 -6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.570 -15.386 -7.261 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -8.577 -14.133 -8.486 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -7.989 -16.262 -9.414 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -6.678 -15.191 -9.540 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -6.671 -16.405 -8.353 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.610 -10.933 -4.249 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.273 -11.461 -3.064 1.00 0.36 C ATOM 745 C GLU A 45 -10.624 -10.774 -2.812 1.00 0.57 C ATOM 746 O GLU A 45 -11.539 -11.432 -2.316 1.00 -0.57 O ATOM 747 CB GLU A 45 -8.359 -11.309 -1.841 1.00 0.00 C ATOM 748 CG GLU A 45 -7.065 -12.155 -1.910 1.00 0.06 C ATOM 749 CD GLU A 45 -5.743 -11.376 -1.877 1.00 0.66 C ATOM 750 OE1 GLU A 45 -5.707 -10.328 -1.253 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -4.699 -11.947 -2.471 1.00 -0.65 O ATOM 0 H GLU A 45 -8.059 -10.092 -4.078 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.473 -12.519 -3.236 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -8.088 -10.259 -1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.916 -11.589 -0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.070 -12.857 -1.076 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -7.091 -12.747 -2.825 1.00 0.06 H new ATOM 759 N ILE A 46 -10.772 -9.485 -3.158 1.00 -0.73 N ATOM 760 CA ILE A 46 -11.985 -8.703 -2.891 1.00 0.36 C ATOM 761 C ILE A 46 -12.488 -8.027 -4.176 1.00 0.57 C ATOM 762 O ILE A 46 -11.697 -7.378 -4.852 1.00 -0.57 O ATOM 763 CB ILE A 46 -11.749 -7.665 -1.768 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.465 -6.817 -1.944 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.744 -8.420 -0.434 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.463 -5.518 -1.131 1.00 0.00 C ATOM 0 H ILE A 46 -10.044 -8.953 -3.636 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.758 -9.389 -2.544 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.556 -6.934 -1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.602 -7.417 -1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.344 -6.574 -3.000 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.579 -7.716 0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.703 -8.919 -0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.946 -9.162 -0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.531 -4.980 -1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.304 -4.896 -1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.552 -5.753 -0.070 1.00 0.00 H new ATOM 778 N PRO A 47 -13.794 -8.096 -4.509 1.00 -0.66 N ATOM 779 CA PRO A 47 -14.353 -7.576 -5.765 1.00 0.36 C ATOM 780 C PRO A 47 -14.460 -6.031 -5.815 1.00 0.57 C ATOM 781 O PRO A 47 -15.410 -5.465 -6.363 1.00 -0.57 O ATOM 782 CB PRO A 47 -15.683 -8.326 -5.931 1.00 0.00 C ATOM 783 CG PRO A 47 -16.134 -8.633 -4.506 1.00 0.00 C ATOM 784 CD PRO A 47 -14.820 -8.799 -3.746 1.00 0.30 C ATOM 0 HA PRO A 47 -13.694 -7.760 -6.613 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -16.418 -7.717 -6.457 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.553 -9.240 -6.511 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.738 -7.825 -4.093 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.740 -9.538 -4.463 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.902 -8.388 -2.740 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.567 -9.854 -3.640 1.00 0.30 H new ATOM 792 N LEU A 48 -13.490 -5.338 -5.214 1.00 -0.73 N ATOM 793 CA LEU A 48 -13.335 -3.891 -5.245 1.00 0.36 C ATOM 794 C LEU A 48 -12.706 -3.513 -6.597 1.00 0.57 C ATOM 795 O LEU A 48 -11.888 -4.251 -7.155 1.00 -0.57 O ATOM 796 CB LEU A 48 -12.480 -3.462 -4.029 1.00 0.00 C ATOM 797 CG LEU A 48 -12.770 -2.047 -3.483 1.00 0.00 C ATOM 798 CD1 LEU A 48 -11.966 -1.761 -2.214 1.00 0.00 C ATOM 799 CD2 LEU A 48 -12.451 -0.929 -4.468 1.00 0.00 C ATOM 0 H LEU A 48 -12.760 -5.796 -4.669 1.00 -0.73 H new ATOM 0 HA LEU A 48 -14.287 -3.366 -5.165 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -12.634 -4.182 -3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.428 -3.517 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.842 -2.052 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.195 -0.757 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -12.229 -2.488 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.901 -1.834 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.681 0.034 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.393 -0.964 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.051 -1.056 -5.369 1.00 0.00 H new ATOM 811 N HIS A 49 -13.087 -2.351 -7.125 1.00 -0.73 N ATOM 812 CA HIS A 49 -12.613 -1.814 -8.391 1.00 0.36 C ATOM 813 C HIS A 49 -12.177 -0.364 -8.162 1.00 0.57 C ATOM 814 O HIS A 49 -12.599 0.281 -7.201 1.00 -0.57 O ATOM 815 CB HIS A 49 -13.749 -1.895 -9.421 1.00 0.17 C ATOM 816 CG HIS A 49 -14.220 -3.297 -9.737 1.00 0.18 C ATOM 817 ND1 HIS A 49 -15.009 -4.115 -8.951 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -13.963 -3.994 -10.889 1.00 0.20 C ATOM 819 CE1 HIS A 49 -15.207 -5.263 -9.619 1.00 0.65 C ATOM 820 NE2 HIS A 49 -14.610 -5.231 -10.821 1.00 -0.70 N ATOM 0 H HIS A 49 -13.759 -1.738 -6.663 1.00 -0.73 H new ATOM 0 HA HIS A 49 -11.765 -2.384 -8.770 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -14.596 -1.317 -9.053 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -13.417 -1.421 -10.345 1.00 0.17 H new ATOM 0 HD1 HIS A 49 -15.376 -3.887 -8.027 1.00 -0.70 H new ATOM 0 HD2 HIS A 49 -13.360 -3.645 -11.714 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -15.772 -6.101 -9.239 1.00 0.65 H new ATOM 829 N PHE A 50 -11.353 0.191 -9.051 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.775 1.510 -8.835 1.00 0.36 C ATOM 831 C PHE A 50 -10.782 2.260 -10.167 1.00 0.57 C ATOM 832 O PHE A 50 -10.694 1.637 -11.226 1.00 -0.57 O ATOM 833 CB PHE A 50 -9.366 1.404 -8.198 1.00 0.14 C ATOM 834 CG PHE A 50 -9.080 0.165 -7.351 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -8.747 -1.051 -7.985 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -9.150 0.210 -5.945 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -8.532 -2.216 -7.225 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.913 -0.951 -5.185 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.619 -2.168 -5.825 1.00 -0.15 C ATOM 0 H PHE A 50 -11.073 -0.254 -9.925 1.00 -0.73 H new ATOM 0 HA PHE A 50 -11.371 2.078 -8.120 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -8.628 1.445 -8.999 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -9.209 2.284 -7.575 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -8.657 -1.088 -9.061 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -9.387 1.139 -5.448 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -8.300 -3.148 -7.720 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -8.957 -0.907 -4.107 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -8.461 -3.063 -5.241 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.895 3.592 -10.125 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.880 4.453 -11.313 1.00 0.36 C ATOM 851 C ARG A 51 -10.014 5.685 -11.036 1.00 0.57 C ATOM 852 O ARG A 51 -9.625 5.942 -9.894 1.00 -0.57 O ATOM 853 CB ARG A 51 -12.320 4.852 -11.723 1.00 0.00 C ATOM 854 CG ARG A 51 -13.080 3.770 -12.514 1.00 0.00 C ATOM 855 CD ARG A 51 -14.441 4.285 -13.042 1.00 0.33 C ATOM 856 NE ARG A 51 -14.444 4.505 -14.507 1.00 -0.84 N ATOM 857 CZ ARG A 51 -15.305 5.257 -15.222 1.00 1.20 C ATOM 858 NH1 ARG A 51 -16.274 5.965 -14.643 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -15.206 5.305 -16.549 1.00 -0.97 N ATOM 0 H ARG A 51 -11.001 4.110 -9.253 1.00 -0.73 H new ATOM 0 HA ARG A 51 -10.449 3.905 -12.150 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -12.887 5.093 -10.824 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.275 5.760 -12.324 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.468 3.437 -13.353 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.244 2.902 -11.875 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -15.220 3.567 -12.786 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -14.691 5.219 -12.539 1.00 0.33 H new ATOM 0 HE ARG A 51 -13.710 4.033 -15.036 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -16.381 5.948 -13.629 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -16.908 6.524 -15.214 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -14.478 4.773 -17.026 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -15.858 5.874 -17.089 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.738 6.465 -12.083 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.887 7.643 -12.014 1.00 0.36 C ATOM 875 C LYS A 52 -9.737 8.862 -12.372 1.00 0.57 C ATOM 876 O LYS A 52 -10.440 8.864 -13.395 1.00 -0.57 O ATOM 877 CB LYS A 52 -7.684 7.449 -12.950 1.00 0.00 C ATOM 878 CG LYS A 52 -6.555 8.455 -12.672 1.00 0.00 C ATOM 879 CD LYS A 52 -5.352 8.247 -13.614 1.00 0.00 C ATOM 880 CE LYS A 52 -5.194 9.430 -14.583 1.00 0.50 C ATOM 881 NZ LYS A 52 -4.333 9.125 -15.750 1.00 -0.85 N ATOM 0 H LYS A 52 -10.109 6.288 -13.017 1.00 -0.73 H new ATOM 0 HA LYS A 52 -8.485 7.799 -11.013 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -7.299 6.435 -12.837 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.012 7.552 -13.984 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.936 9.469 -12.789 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.227 8.355 -11.637 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.442 8.131 -13.026 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.485 7.325 -14.180 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.179 9.734 -14.937 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -4.774 10.279 -14.043 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -4.268 9.963 -16.362 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -3.382 8.863 -15.421 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -4.744 8.335 -16.287 1.00 -0.85 H new ATOM 895 N VAL A 53 -9.685 9.869 -11.495 1.00 -0.73 N ATOM 896 CA VAL A 53 -10.353 11.158 -11.660 1.00 0.36 C ATOM 897 C VAL A 53 -9.764 11.917 -12.853 1.00 0.57 C ATOM 898 O VAL A 53 -8.661 11.614 -13.313 1.00 -0.57 O ATOM 899 CB VAL A 53 -10.255 11.990 -10.358 1.00 0.00 C ATOM 900 CG1 VAL A 53 -10.942 11.267 -9.196 1.00 0.00 C ATOM 901 CG2 VAL A 53 -8.810 12.322 -9.943 1.00 0.00 C ATOM 0 H VAL A 53 -9.159 9.805 -10.623 1.00 -0.73 H new ATOM 0 HA VAL A 53 -11.409 10.982 -11.864 1.00 0.36 H new ATOM 0 HB VAL A 53 -10.760 12.930 -10.580 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.860 11.871 -8.292 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.994 11.112 -9.435 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.461 10.302 -9.033 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.821 12.906 -9.023 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.257 11.397 -9.779 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.328 12.898 -10.733 1.00 0.00 H new ATOM 911 N VAL A 54 -10.496 12.930 -13.325 1.00 -0.73 N ATOM 912 CA VAL A 54 -10.070 13.802 -14.416 1.00 0.36 C ATOM 913 C VAL A 54 -8.854 14.635 -13.976 1.00 0.57 C ATOM 914 O VAL A 54 -7.761 14.491 -14.526 1.00 -0.57 O ATOM 915 CB VAL A 54 -11.280 14.642 -14.907 1.00 0.00 C ATOM 916 CG1 VAL A 54 -12.348 13.699 -15.482 1.00 0.00 C ATOM 917 CG2 VAL A 54 -11.980 15.521 -13.846 1.00 0.00 C ATOM 0 H VAL A 54 -11.415 13.168 -12.952 1.00 -0.73 H new ATOM 0 HA VAL A 54 -9.734 13.221 -15.275 1.00 0.36 H new ATOM 0 HB VAL A 54 -10.850 15.325 -15.640 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -13.201 14.283 -15.829 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -11.928 13.140 -16.318 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -12.675 13.004 -14.708 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -12.808 16.059 -14.308 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -12.361 14.889 -13.044 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -11.266 16.236 -13.437 1.00 0.00 H new ATOM 927 N TRP A 55 -9.041 15.437 -12.926 1.00 -0.73 N ATOM 928 CA TRP A 55 -8.044 16.146 -12.143 1.00 0.36 C ATOM 929 C TRP A 55 -8.764 16.582 -10.851 1.00 0.57 C ATOM 930 O TRP A 55 -9.991 16.715 -10.877 1.00 -0.57 O ATOM 931 CB TRP A 55 -7.468 17.335 -12.942 1.00 0.18 C ATOM 932 CG TRP A 55 -8.334 18.553 -13.106 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -8.341 19.597 -12.249 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -9.295 18.906 -14.160 1.00 0.00 C ATOM 935 NE1 TRP A 55 -9.220 20.563 -12.682 1.00 0.03 N ATOM 936 CE2 TRP A 55 -9.855 20.185 -13.847 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -9.757 18.291 -15.346 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -10.827 20.807 -14.648 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -10.735 18.904 -16.159 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -11.274 20.155 -15.807 1.00 -0.15 C ATOM 0 H TRP A 55 -9.982 15.619 -12.576 1.00 -0.73 H new ATOM 0 HA TRP A 55 -7.183 15.523 -11.902 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -6.541 17.645 -12.460 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -7.205 16.975 -13.936 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -7.743 19.664 -11.352 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -9.382 21.448 -12.202 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -9.353 17.332 -15.636 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -11.225 21.773 -14.375 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -11.072 18.409 -17.058 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -12.030 20.612 -16.428 1.00 -0.15 H new ATOM 951 N GLY A 56 -8.040 16.778 -9.737 1.00 -0.73 N ATOM 952 CA GLY A 56 -8.612 17.318 -8.495 1.00 0.36 C ATOM 953 C GLY A 56 -8.293 16.547 -7.202 1.00 0.57 C ATOM 954 O GLY A 56 -8.996 16.741 -6.212 1.00 -0.57 O ATOM 0 H GLY A 56 -7.044 16.567 -9.673 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -8.263 18.344 -8.376 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -9.695 17.361 -8.608 1.00 0.36 H new ATOM 958 N THR A 57 -7.263 15.686 -7.200 1.00 -0.73 N ATOM 959 CA THR A 57 -6.960 14.703 -6.146 1.00 0.36 C ATOM 960 C THR A 57 -8.033 13.594 -6.098 1.00 0.57 C ATOM 961 O THR A 57 -9.141 13.738 -6.618 1.00 -0.57 O ATOM 962 CB THR A 57 -6.650 15.398 -4.791 1.00 0.28 C ATOM 963 OG1 THR A 57 -5.584 16.304 -4.996 1.00 -0.68 O ATOM 964 CG2 THR A 57 -6.213 14.464 -3.653 1.00 0.00 C ATOM 0 H THR A 57 -6.589 15.654 -7.965 1.00 -0.73 H new ATOM 0 HA THR A 57 -6.036 14.181 -6.393 1.00 0.36 H new ATOM 0 HB THR A 57 -7.587 15.861 -4.483 1.00 0.28 H new ATOM 0 HG1 THR A 57 -5.372 16.756 -4.153 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -6.022 15.050 -2.754 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.003 13.740 -3.453 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.304 13.938 -3.943 1.00 0.00 H new ATOM 972 N ALA A 58 -7.678 12.446 -5.518 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.473 11.228 -5.493 1.00 0.36 C ATOM 974 C ALA A 58 -8.516 10.688 -4.061 1.00 0.57 C ATOM 975 O ALA A 58 -7.901 11.260 -3.157 1.00 -0.57 O ATOM 976 CB ALA A 58 -7.838 10.222 -6.453 1.00 0.00 C ATOM 0 H ALA A 58 -6.787 12.341 -5.032 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.498 11.418 -5.811 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.419 9.300 -6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.824 10.639 -7.460 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.818 10.009 -6.134 1.00 0.00 H new ATOM 982 N ASP A 59 -9.252 9.601 -3.844 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.400 8.994 -2.526 1.00 0.36 C ATOM 984 C ASP A 59 -8.065 8.439 -2.058 1.00 0.57 C ATOM 985 O ASP A 59 -7.738 8.564 -0.881 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.450 7.897 -2.525 1.00 0.06 C ATOM 987 CG ASP A 59 -11.782 8.407 -2.993 1.00 0.66 C ATOM 988 OD1 ASP A 59 -12.125 7.623 -3.863 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.154 9.683 -3.047 1.00 -0.65 O ATOM 0 H ASP A 59 -9.764 9.115 -4.581 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.734 9.771 -1.838 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -10.125 7.081 -3.170 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.549 7.488 -1.519 1.00 0.06 H new ATOM 995 N ILE A 60 -7.262 7.921 -2.993 1.00 -0.73 N ATOM 996 CA ILE A 60 -5.939 7.358 -2.756 1.00 0.36 C ATOM 997 C ILE A 60 -4.990 8.078 -3.722 1.00 0.57 C ATOM 998 O ILE A 60 -4.723 7.592 -4.826 1.00 -0.57 O ATOM 999 CB ILE A 60 -5.978 5.819 -2.956 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -7.017 5.120 -2.045 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.598 5.165 -2.731 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.496 3.777 -2.607 1.00 0.00 C ATOM 0 H ILE A 60 -7.533 7.883 -3.976 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.590 7.508 -1.734 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.277 5.679 -3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.579 4.960 -1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.875 5.778 -1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.677 4.088 -2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.879 5.579 -3.438 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.262 5.365 -1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.222 3.335 -1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.961 3.935 -3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.645 3.104 -2.717 1.00 0.00 H new ATOM 1014 N MET A 61 -4.521 9.278 -3.361 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.377 9.855 -4.056 1.00 0.36 C ATOM 1016 C MET A 61 -2.108 9.125 -3.607 1.00 0.57 C ATOM 1017 O MET A 61 -1.950 8.819 -2.423 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.300 11.389 -3.927 1.00 0.00 C ATOM 1019 CG MET A 61 -2.913 11.901 -2.538 1.00 0.23 C ATOM 1020 SD MET A 61 -1.307 12.733 -2.377 1.00 -0.46 S ATOM 1021 CE MET A 61 -1.851 14.454 -2.543 1.00 0.23 C ATOM 0 H MET A 61 -4.907 9.852 -2.611 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.495 9.701 -5.129 1.00 0.36 H new ATOM 0 HB2 MET A 61 -2.576 11.764 -4.651 1.00 0.00 H new ATOM 0 HB3 MET A 61 -4.268 11.811 -4.197 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.687 12.593 -2.206 1.00 0.23 H new ATOM 0 HG3 MET A 61 -2.925 11.055 -1.851 1.00 0.23 H new ATOM 0 HE1 MET A 61 -0.989 15.117 -2.469 1.00 0.23 H new ATOM 0 HE2 MET A 61 -2.332 14.592 -3.511 1.00 0.23 H new ATOM 0 HE3 MET A 61 -2.560 14.690 -1.749 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.194 8.863 -4.545 1.00 -0.73 N ATOM 1032 CA ILE A 62 0.096 8.239 -4.263 1.00 0.36 C ATOM 1033 C ILE A 62 1.149 9.228 -4.753 1.00 0.57 C ATOM 1034 O ILE A 62 1.151 9.579 -5.929 1.00 -0.57 O ATOM 1035 CB ILE A 62 0.231 6.843 -4.927 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -0.883 5.853 -4.505 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.582 6.216 -4.544 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.965 5.666 -5.574 1.00 0.00 C ATOM 0 H ILE A 62 -1.333 9.082 -5.532 1.00 -0.73 H new ATOM 0 HA ILE A 62 0.216 8.040 -3.198 1.00 0.36 H new ATOM 0 HB ILE A 62 0.149 7.010 -6.001 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.434 4.886 -4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.348 6.210 -3.586 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.674 5.236 -5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.392 6.859 -4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.639 6.108 -3.461 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.714 4.961 -5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.440 6.625 -5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.512 5.280 -6.487 1.00 0.00 H new ATOM 1050 N GLY A 63 2.024 9.701 -3.865 1.00 -0.73 N ATOM 1051 CA GLY A 63 3.036 10.686 -4.227 1.00 0.36 C ATOM 1052 C GLY A 63 4.392 10.336 -3.646 1.00 0.57 C ATOM 1053 O GLY A 63 4.490 9.563 -2.697 1.00 -0.57 O ATOM 0 H GLY A 63 2.050 9.415 -2.886 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 3.111 10.749 -5.313 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.730 11.670 -3.871 1.00 0.36 H new ATOM 1057 N PHE A 64 5.444 10.922 -4.212 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.813 10.686 -3.797 1.00 0.36 C ATOM 1059 C PHE A 64 7.433 12.078 -3.670 1.00 0.57 C ATOM 1060 O PHE A 64 7.261 12.915 -4.570 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.572 9.730 -4.754 1.00 0.14 C ATOM 1062 CG PHE A 64 6.893 8.395 -5.061 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.679 8.376 -5.765 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 7.446 7.167 -4.642 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 4.955 7.190 -5.941 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 6.717 5.972 -4.799 1.00 -0.15 C ATOM 1067 CZ PHE A 64 5.449 5.992 -5.409 1.00 -0.15 C ATOM 0 H PHE A 64 5.362 11.584 -4.984 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.870 10.156 -2.846 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.740 10.252 -5.696 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.552 9.524 -4.324 1.00 0.14 H new ATOM 0 HD1 PHE A 64 5.295 9.296 -6.180 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 8.431 7.143 -4.200 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 4.021 7.199 -6.484 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 7.132 5.038 -4.450 1.00 -0.15 H new ATOM 0 HZ PHE A 64 4.860 5.089 -5.467 1.00 -0.15 H new ATOM 1077 N ALA A 65 8.076 12.317 -2.522 1.00 -0.73 N ATOM 1078 CA ALA A 65 8.755 13.552 -2.145 1.00 0.36 C ATOM 1079 C ALA A 65 10.209 13.216 -1.813 1.00 0.57 C ATOM 1080 O ALA A 65 10.540 12.049 -1.617 1.00 -0.57 O ATOM 1081 CB ALA A 65 8.061 14.185 -0.930 1.00 0.00 C ATOM 0 H ALA A 65 8.137 11.609 -1.791 1.00 -0.73 H new ATOM 0 HA ALA A 65 8.718 14.268 -2.966 1.00 0.36 H new ATOM 0 HB1 ALA A 65 8.575 15.106 -0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.024 14.409 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.091 13.490 -0.091 1.00 0.00 H new ATOM 1087 N ARG A 66 11.080 14.226 -1.739 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.526 14.006 -1.667 1.00 0.36 C ATOM 1089 C ARG A 66 13.086 14.054 -0.241 1.00 0.57 C ATOM 1090 O ARG A 66 14.251 13.733 -0.038 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.224 15.086 -2.504 1.00 0.00 C ATOM 1092 CG ARG A 66 14.437 14.541 -3.267 1.00 0.00 C ATOM 1093 CD ARG A 66 15.368 15.682 -3.692 1.00 0.33 C ATOM 1094 NE ARG A 66 16.230 16.103 -2.567 1.00 -0.84 N ATOM 1095 CZ ARG A 66 16.095 17.182 -1.777 1.00 1.20 C ATOM 1096 NH1 ARG A 66 15.089 18.049 -1.932 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 16.984 17.404 -0.811 1.00 -0.97 N ATOM 0 H ARG A 66 10.806 15.209 -1.727 1.00 -0.73 H new ATOM 0 HA ARG A 66 12.715 13.002 -2.047 1.00 0.36 H new ATOM 0 HB2 ARG A 66 12.512 15.509 -3.213 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.544 15.898 -1.851 1.00 0.00 H new ATOM 0 HG2 ARG A 66 14.981 13.836 -2.639 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.102 13.991 -4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.987 15.360 -4.529 1.00 0.33 H new ATOM 0 HD3 ARG A 66 14.777 16.529 -4.040 1.00 0.33 H new ATOM 0 HE ARG A 66 17.027 15.499 -2.365 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 14.397 17.901 -2.666 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 15.014 18.859 -1.316 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 17.761 16.757 -0.674 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 16.888 18.221 -0.208 1.00 -0.97 H new ATOM 1111 N GLY A 67 12.321 14.557 0.726 1.00 -0.73 N ATOM 1112 CA GLY A 67 12.792 14.738 2.090 1.00 0.36 C ATOM 1113 C GLY A 67 11.646 15.100 3.019 1.00 0.57 C ATOM 1114 O GLY A 67 11.532 14.506 4.080 1.00 -0.57 O ATOM 0 H GLY A 67 11.355 14.850 0.581 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 13.271 13.823 2.437 1.00 0.36 H new ATOM 0 HA3 GLY A 67 13.548 15.523 2.116 1.00 0.36 H new ATOM 1118 N ALA A 68 10.758 16.013 2.601 1.00 -0.73 N ATOM 1119 CA ALA A 68 9.467 16.250 3.230 1.00 0.36 C ATOM 1120 C ALA A 68 8.546 16.960 2.234 1.00 0.57 C ATOM 1121 O ALA A 68 9.025 17.633 1.321 1.00 -0.57 O ATOM 1122 CB ALA A 68 9.646 17.110 4.487 1.00 0.00 C ATOM 0 H ALA A 68 10.929 16.617 1.797 1.00 -0.73 H new ATOM 0 HA ALA A 68 9.023 15.298 3.521 1.00 0.36 H new ATOM 0 HB1 ALA A 68 8.675 17.282 4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.298 16.594 5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.092 18.066 4.213 1.00 0.00 H new ATOM 1128 N HIS A 69 7.234 16.820 2.449 1.00 -0.73 N ATOM 1129 CA HIS A 69 6.162 17.367 1.621 1.00 0.36 C ATOM 1130 C HIS A 69 5.492 18.526 2.369 1.00 0.57 C ATOM 1131 O HIS A 69 5.764 19.679 2.045 1.00 -0.57 O ATOM 1132 CB HIS A 69 5.160 16.259 1.214 1.00 0.17 C ATOM 1133 CG HIS A 69 5.301 14.926 1.928 1.00 0.18 C ATOM 1134 ND1 HIS A 69 5.313 14.677 3.292 1.00 -0.70 N ATOM 1135 CD2 HIS A 69 5.454 13.726 1.301 1.00 0.20 C ATOM 1136 CE1 HIS A 69 5.536 13.365 3.459 1.00 0.65 C ATOM 1137 NE2 HIS A 69 5.588 12.745 2.276 1.00 -0.70 N ATOM 0 H HIS A 69 6.876 16.295 3.247 1.00 -0.73 H new ATOM 0 HA HIS A 69 6.573 17.760 0.691 1.00 0.36 H new ATOM 0 HB2 HIS A 69 4.150 16.632 1.384 1.00 0.17 H new ATOM 0 HB3 HIS A 69 5.260 16.085 0.143 1.00 0.17 H new ATOM 0 HD2 HIS A 69 5.469 13.565 0.233 1.00 0.20 H new ATOM 0 HE1 HIS A 69 5.657 12.878 4.415 1.00 0.65 H new ATOM 0 HE2 HIS A 69 5.704 11.744 2.119 1.00 -0.70 H new ATOM 1146 N GLY A 70 4.663 18.230 3.382 1.00 -0.73 N ATOM 1147 CA GLY A 70 4.044 19.238 4.242 1.00 0.36 C ATOM 1148 C GLY A 70 2.676 18.797 4.764 1.00 0.57 C ATOM 1149 O GLY A 70 1.718 19.560 4.680 1.00 -0.57 O ATOM 0 H GLY A 70 4.404 17.274 3.625 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 4.702 19.446 5.086 1.00 0.36 H new ATOM 0 HA3 GLY A 70 3.935 20.169 3.686 1.00 0.36 H new ATOM 1153 N ASP A 71 2.575 17.560 5.257 1.00 -0.73 N ATOM 1154 CA ASP A 71 1.340 16.923 5.737 1.00 0.36 C ATOM 1155 C ASP A 71 1.430 16.799 7.267 1.00 0.57 C ATOM 1156 O ASP A 71 2.347 17.355 7.875 1.00 -0.57 O ATOM 1157 CB ASP A 71 1.068 15.576 5.014 1.00 0.06 C ATOM 1158 CG ASP A 71 2.274 15.033 4.264 1.00 0.66 C ATOM 1159 OD1 ASP A 71 2.453 15.415 3.119 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 3.103 14.221 4.913 1.00 -0.65 O ATOM 0 H ASP A 71 3.386 16.946 5.337 1.00 -0.73 H new ATOM 0 HA ASP A 71 0.474 17.539 5.494 1.00 0.36 H new ATOM 0 HB2 ASP A 71 0.745 14.838 5.748 1.00 0.06 H new ATOM 0 HB3 ASP A 71 0.244 15.710 4.313 1.00 0.06 H new ATOM 1166 N SER A 72 0.472 16.104 7.897 1.00 -0.73 N ATOM 1167 CA SER A 72 0.449 15.815 9.336 1.00 0.36 C ATOM 1168 C SER A 72 1.813 15.365 9.889 1.00 0.57 C ATOM 1169 O SER A 72 2.157 15.743 11.009 1.00 -0.57 O ATOM 1170 CB SER A 72 -0.598 14.723 9.616 1.00 0.28 C ATOM 1171 OG SER A 72 -1.810 15.219 10.152 1.00 -0.68 O ATOM 0 H SER A 72 -0.332 15.716 7.403 1.00 -0.73 H new ATOM 0 HA SER A 72 0.193 16.745 9.843 1.00 0.36 H new ATOM 0 HB2 SER A 72 -0.812 14.191 8.689 1.00 0.28 H new ATOM 0 HB3 SER A 72 -0.175 13.996 10.310 1.00 0.28 H new ATOM 0 HG SER A 72 -2.429 14.475 10.304 1.00 -0.68 H new ATOM 1177 N TYR A 73 2.587 14.590 9.114 1.00 -0.73 N ATOM 1178 CA TYR A 73 3.876 14.048 9.526 1.00 0.36 C ATOM 1179 C TYR A 73 4.833 14.115 8.328 1.00 0.57 C ATOM 1180 O TYR A 73 4.718 13.278 7.436 1.00 -0.57 O ATOM 1181 CB TYR A 73 3.711 12.603 10.038 1.00 0.14 C ATOM 1182 CG TYR A 73 2.706 12.444 11.167 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 2.896 13.139 12.377 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 1.553 11.651 10.992 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 1.908 13.114 13.375 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 0.577 11.592 12.003 1.00 -0.15 C ATOM 1187 CZ TYR A 73 0.732 12.349 13.186 1.00 0.08 C ATOM 1188 OH TYR A 73 -0.265 12.354 14.116 1.00 -0.53 O ATOM 0 H TYR A 73 2.323 14.322 8.166 1.00 -0.73 H new ATOM 0 HA TYR A 73 4.289 14.634 10.347 1.00 0.36 H new ATOM 0 HB2 TYR A 73 3.406 11.969 9.206 1.00 0.14 H new ATOM 0 HB3 TYR A 73 4.680 12.239 10.378 1.00 0.14 H new ATOM 0 HD1 TYR A 73 3.808 13.695 12.539 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 1.419 11.088 10.080 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 2.045 13.678 14.286 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 -0.294 10.966 11.875 1.00 -0.15 H new ATOM 0 HH TYR A 73 -0.994 11.772 13.817 1.00 -0.53 H new ATOM 1198 N PRO A 74 5.754 15.095 8.254 1.00 -0.66 N ATOM 1199 CA PRO A 74 6.732 15.138 7.175 1.00 0.36 C ATOM 1200 C PRO A 74 7.679 13.926 7.235 1.00 0.57 C ATOM 1201 O PRO A 74 7.889 13.347 8.305 1.00 -0.57 O ATOM 1202 CB PRO A 74 7.469 16.472 7.326 1.00 0.00 C ATOM 1203 CG PRO A 74 7.213 16.929 8.762 1.00 0.00 C ATOM 1204 CD PRO A 74 5.963 16.173 9.210 1.00 0.30 C ATOM 0 HA PRO A 74 6.258 15.078 6.195 1.00 0.36 H new ATOM 0 HB2 PRO A 74 8.536 16.353 7.138 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.099 17.206 6.610 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.063 16.700 9.405 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.059 18.007 8.810 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.092 15.776 10.217 1.00 0.30 H new ATOM 0 HD3 PRO A 74 5.099 16.837 9.238 1.00 0.30 H new ATOM 1212 N PHE A 75 8.257 13.564 6.083 1.00 -0.73 N ATOM 1213 CA PHE A 75 9.330 12.576 6.003 1.00 0.36 C ATOM 1214 C PHE A 75 10.639 13.108 6.605 1.00 0.57 C ATOM 1215 O PHE A 75 10.748 14.254 7.047 1.00 -0.57 O ATOM 1216 CB PHE A 75 9.555 12.114 4.542 1.00 0.14 C ATOM 1217 CG PHE A 75 8.640 11.020 4.045 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 8.360 9.877 4.823 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 8.081 11.146 2.766 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 7.417 8.937 4.376 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 7.140 10.211 2.323 1.00 -0.15 C ATOM 1222 CZ PHE A 75 6.781 9.133 3.142 1.00 -0.15 C ATOM 0 H PHE A 75 7.989 13.952 5.179 1.00 -0.73 H new ATOM 0 HA PHE A 75 9.017 11.715 6.593 1.00 0.36 H new ATOM 0 HB2 PHE A 75 9.444 12.978 3.887 1.00 0.14 H new ATOM 0 HB3 PHE A 75 10.585 11.771 4.445 1.00 0.14 H new ATOM 0 HD1 PHE A 75 8.871 9.725 5.762 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 8.376 11.963 2.124 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 7.184 8.071 4.978 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 6.689 10.320 1.348 1.00 -0.15 H new ATOM 0 HZ PHE A 75 6.010 8.449 2.821 1.00 -0.15 H new ATOM 1232 N ASP A 76 11.615 12.203 6.596 1.00 -0.73 N ATOM 1233 CA ASP A 76 12.962 12.284 7.128 1.00 0.36 C ATOM 1234 C ASP A 76 14.023 12.267 6.007 1.00 0.57 C ATOM 1235 O ASP A 76 15.105 12.810 6.240 1.00 -0.57 O ATOM 1236 CB ASP A 76 13.155 11.009 7.977 1.00 0.06 C ATOM 1237 CG ASP A 76 12.887 9.753 7.135 1.00 0.66 C ATOM 1238 OD1 ASP A 76 11.739 9.530 6.788 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 13.912 9.008 6.732 1.00 -0.65 O ATOM 0 H ASP A 76 11.456 11.293 6.164 1.00 -0.73 H new ATOM 0 HA ASP A 76 13.083 13.209 7.691 1.00 0.36 H new ATOM 0 HB2 ASP A 76 14.171 10.979 8.372 1.00 0.06 H new ATOM 0 HB3 ASP A 76 12.481 11.030 8.833 1.00 0.06 H new ATOM 1245 N GLY A 77 13.769 11.676 4.823 1.00 -0.73 N ATOM 1246 CA GLY A 77 14.769 11.553 3.763 1.00 0.36 C ATOM 1247 C GLY A 77 15.459 10.176 3.756 1.00 0.57 C ATOM 1248 O GLY A 77 14.821 9.162 4.025 1.00 -0.57 O ATOM 0 H GLY A 77 12.863 11.273 4.582 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 14.292 11.721 2.797 1.00 0.36 H new ATOM 0 HA3 GLY A 77 15.522 12.332 3.887 1.00 0.36 H new ATOM 1252 N PRO A 78 16.754 10.072 3.401 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.432 8.790 3.219 1.00 0.36 C ATOM 1254 C PRO A 78 17.696 8.033 4.539 1.00 0.57 C ATOM 1255 O PRO A 78 18.801 8.088 5.078 1.00 -0.57 O ATOM 1256 CB PRO A 78 18.680 9.100 2.383 1.00 0.00 C ATOM 1257 CG PRO A 78 18.984 10.567 2.690 1.00 0.00 C ATOM 1258 CD PRO A 78 17.624 11.176 3.030 1.00 0.30 C ATOM 0 HA PRO A 78 16.800 8.075 2.692 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.514 8.455 2.659 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.495 8.946 1.320 1.00 0.00 H new ATOM 0 HG2 PRO A 78 19.681 10.662 3.523 1.00 0.00 H new ATOM 0 HG3 PRO A 78 19.440 11.066 1.834 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.713 11.890 3.848 1.00 0.30 H new ATOM 0 HD3 PRO A 78 17.218 11.719 2.176 1.00 0.30 H new ATOM 1266 N GLY A 79 16.687 7.311 5.048 1.00 -0.73 N ATOM 1267 CA GLY A 79 16.740 6.499 6.256 1.00 0.36 C ATOM 1268 C GLY A 79 15.334 6.183 6.792 1.00 0.57 C ATOM 1269 O GLY A 79 14.334 6.376 6.106 1.00 -0.57 O ATOM 0 H GLY A 79 15.771 7.281 4.601 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.267 5.568 6.046 1.00 0.36 H new ATOM 0 HA3 GLY A 79 17.312 7.023 7.022 1.00 0.36 H new ATOM 1273 N ASN A 80 15.277 5.718 8.047 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.077 5.523 8.872 1.00 0.36 C ATOM 1275 C ASN A 80 12.827 4.992 8.127 1.00 0.57 C ATOM 1276 O ASN A 80 12.901 3.917 7.532 1.00 -0.57 O ATOM 1277 CB ASN A 80 13.829 6.795 9.700 1.00 0.06 C ATOM 1278 CG ASN A 80 12.884 6.500 10.858 1.00 0.57 C ATOM 1279 OD1 ASN A 80 13.054 5.517 11.576 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 11.819 7.278 11.007 1.00 -0.80 N ATOM 0 H ASN A 80 16.125 5.450 8.547 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.281 4.694 9.549 1.00 0.36 H new ATOM 0 HB2 ASN A 80 14.775 7.177 10.083 1.00 0.06 H new ATOM 0 HB3 ASN A 80 13.405 7.573 9.065 1.00 0.06 H new ATOM 0 HD21 ASN A 80 11.127 7.064 11.725 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 11.692 8.090 10.403 1.00 -0.80 H new ATOM 1287 N THR A 81 11.654 5.624 8.275 1.00 -0.73 N ATOM 1288 CA THR A 81 10.410 5.356 7.556 1.00 0.36 C ATOM 1289 C THR A 81 10.604 5.698 6.066 1.00 0.57 C ATOM 1290 O THR A 81 11.073 6.786 5.747 1.00 -0.57 O ATOM 1291 CB THR A 81 9.315 6.240 8.201 1.00 0.28 C ATOM 1292 OG1 THR A 81 9.267 5.980 9.593 1.00 -0.68 O ATOM 1293 CG2 THR A 81 7.892 6.062 7.666 1.00 0.00 C ATOM 0 H THR A 81 11.547 6.385 8.945 1.00 -0.73 H new ATOM 0 HA THR A 81 10.120 4.307 7.619 1.00 0.36 H new ATOM 0 HB THR A 81 9.614 7.257 7.948 1.00 0.28 H new ATOM 0 HG1 THR A 81 8.576 6.539 10.007 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.217 6.735 8.196 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.872 6.293 6.601 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.572 5.032 7.820 1.00 0.00 H new ATOM 1301 N LEU A 82 10.221 4.804 5.149 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.446 4.937 3.708 1.00 0.36 C ATOM 1303 C LEU A 82 9.209 5.403 2.938 1.00 0.57 C ATOM 1304 O LEU A 82 9.324 5.991 1.862 1.00 -0.57 O ATOM 1305 CB LEU A 82 10.893 3.594 3.109 1.00 0.00 C ATOM 1306 CG LEU A 82 12.276 3.108 3.580 1.00 0.00 C ATOM 1307 CD1 LEU A 82 12.281 2.242 4.848 1.00 0.00 C ATOM 1308 CD2 LEU A 82 12.889 2.265 2.468 1.00 0.00 C ATOM 0 H LEU A 82 9.732 3.944 5.397 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.220 5.698 3.603 1.00 0.36 H new ATOM 0 HB2 LEU A 82 10.152 2.835 3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.904 3.682 2.023 1.00 0.00 H new ATOM 0 HG LEU A 82 12.833 4.014 3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.305 1.956 5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.858 2.809 5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.684 1.346 4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.871 1.909 2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 82 12.243 1.412 2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.992 2.870 1.567 1.00 0.00 H new ATOM 1320 N ALA A 83 8.020 5.109 3.461 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.752 5.495 2.876 1.00 0.36 C ATOM 1322 C ALA A 83 5.708 5.427 3.982 1.00 0.57 C ATOM 1323 O ALA A 83 5.928 4.770 5.002 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.394 4.577 1.702 1.00 0.00 C ATOM 0 H ALA A 83 7.917 4.581 4.328 1.00 -0.73 H new ATOM 0 HA ALA A 83 6.801 6.506 2.471 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.438 4.885 1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.169 4.644 0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.320 3.548 2.054 1.00 0.00 H new ATOM 1330 N HIS A 84 4.587 6.116 3.801 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.490 6.069 4.750 1.00 0.36 C ATOM 1332 C HIS A 84 2.168 6.257 4.012 1.00 0.57 C ATOM 1333 O HIS A 84 2.126 6.847 2.927 1.00 -0.57 O ATOM 1334 CB HIS A 84 3.711 7.063 5.908 1.00 0.17 C ATOM 1335 CG HIS A 84 3.676 8.548 5.602 1.00 0.18 C ATOM 1336 ND1 HIS A 84 3.656 9.546 6.551 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 3.620 9.169 4.380 1.00 0.20 C ATOM 1338 CE1 HIS A 84 3.553 10.723 5.911 1.00 0.65 C ATOM 1339 NE2 HIS A 84 3.529 10.550 4.581 1.00 -0.70 N ATOM 0 H HIS A 84 4.417 6.719 2.996 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.450 5.088 5.224 1.00 0.36 H new ATOM 0 HB2 HIS A 84 2.954 6.863 6.666 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.679 6.840 6.357 1.00 0.17 H new ATOM 0 HD1 HIS A 84 3.710 9.415 7.561 1.00 -0.70 H new ATOM 0 HD2 HIS A 84 3.642 8.673 3.421 1.00 0.20 H new ATOM 0 HE1 HIS A 84 3.497 11.683 6.403 1.00 0.65 H new ATOM 1348 N ALA A 85 1.084 5.783 4.622 1.00 -0.73 N ATOM 1349 CA ALA A 85 -0.250 5.801 4.057 1.00 0.36 C ATOM 1350 C ALA A 85 -1.249 6.035 5.175 1.00 0.57 C ATOM 1351 O ALA A 85 -0.983 5.717 6.339 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.525 4.464 3.366 1.00 0.00 C ATOM 0 H ALA A 85 1.118 5.364 5.551 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.340 6.600 3.321 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.528 4.474 2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.205 4.308 2.572 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.448 3.656 4.093 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.407 6.579 4.811 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.432 6.965 5.762 1.00 0.36 C ATOM 1360 C PHE A 86 -4.640 6.037 5.580 1.00 0.57 C ATOM 1361 O PHE A 86 -4.964 5.638 4.459 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.753 8.456 5.547 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.545 9.392 5.435 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.425 9.277 6.287 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.523 10.368 4.421 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.307 10.115 6.109 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.415 11.214 4.249 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.300 11.087 5.093 1.00 -0.15 C ATOM 0 H PHE A 86 -2.657 6.764 3.840 1.00 -0.73 H new ATOM 0 HA PHE A 86 -3.105 6.855 6.796 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.348 8.552 4.639 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -4.376 8.796 6.374 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.426 8.543 7.079 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.374 10.468 3.763 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.551 10.010 6.757 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.421 11.961 3.469 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.557 11.731 4.963 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.306 5.691 6.689 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.515 4.861 6.684 1.00 0.36 C ATOM 1380 C ALA A 87 -7.596 5.504 5.802 1.00 0.57 C ATOM 1381 O ALA A 87 -7.597 6.730 5.686 1.00 -0.57 O ATOM 1382 CB ALA A 87 -7.018 4.728 8.124 1.00 0.00 C ATOM 0 H ALA A 87 -5.017 5.983 7.623 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.287 3.875 6.278 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -7.918 4.113 8.140 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.248 4.260 8.737 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.247 5.716 8.522 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.517 4.737 5.188 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.516 5.308 4.297 1.00 0.36 C ATOM 1390 C PRO A 88 -10.553 6.137 5.055 1.00 0.57 C ATOM 1391 O PRO A 88 -10.800 5.915 6.241 1.00 -0.57 O ATOM 1392 CB PRO A 88 -10.155 4.125 3.584 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.961 2.959 4.528 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.683 3.297 5.297 1.00 0.30 C ATOM 0 HA PRO A 88 -9.061 6.002 3.590 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -11.212 4.304 3.388 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.679 3.939 2.621 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.811 2.847 5.201 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.860 2.020 3.984 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.763 2.992 6.340 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.825 2.773 4.877 1.00 0.30 H new ATOM 1402 N GLY A 89 -11.172 7.080 4.341 1.00 -0.73 N ATOM 1403 CA GLY A 89 -12.146 8.022 4.875 1.00 0.36 C ATOM 1404 C GLY A 89 -11.711 9.462 4.604 1.00 0.57 C ATOM 1405 O GLY A 89 -10.595 9.698 4.145 1.00 -0.57 O ATOM 0 H GLY A 89 -11.000 7.209 3.344 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -13.121 7.840 4.422 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -12.259 7.867 5.948 1.00 0.36 H new ATOM 1409 N THR A 90 -12.580 10.420 4.951 1.00 -0.73 N ATOM 1410 CA THR A 90 -12.373 11.864 4.811 1.00 0.36 C ATOM 1411 C THR A 90 -11.744 12.258 3.450 1.00 0.57 C ATOM 1412 O THR A 90 -11.953 11.577 2.447 1.00 -0.57 O ATOM 1413 CB THR A 90 -11.687 12.418 6.089 1.00 0.28 C ATOM 1414 OG1 THR A 90 -11.773 13.828 6.110 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -10.213 12.050 6.299 1.00 0.00 C ATOM 0 H THR A 90 -13.489 10.197 5.356 1.00 -0.73 H new ATOM 0 HA THR A 90 -13.335 12.374 4.756 1.00 0.36 H new ATOM 0 HB THR A 90 -12.238 11.936 6.896 1.00 0.28 H new ATOM 0 HG1 THR A 90 -11.340 14.170 6.920 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -9.854 12.498 7.226 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.113 10.966 6.358 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.622 12.423 5.463 1.00 0.00 H new ATOM 1423 N GLY A 91 -11.032 13.389 3.394 1.00 -0.73 N ATOM 1424 CA GLY A 91 -10.265 13.795 2.222 1.00 0.36 C ATOM 1425 C GLY A 91 -8.846 13.226 2.266 1.00 0.57 C ATOM 1426 O GLY A 91 -8.438 12.572 1.310 1.00 -0.57 O ATOM 0 H GLY A 91 -10.975 14.050 4.169 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -10.769 13.453 1.318 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -10.222 14.883 2.171 1.00 0.36 H new ATOM 1430 N LEU A 92 -8.113 13.451 3.370 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.737 12.972 3.577 1.00 0.36 C ATOM 1432 C LEU A 92 -6.663 11.441 3.644 1.00 0.57 C ATOM 1433 O LEU A 92 -5.681 10.859 3.192 1.00 -0.57 O ATOM 1434 CB LEU A 92 -6.157 13.606 4.868 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.750 13.097 5.294 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.661 14.173 5.207 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -4.770 12.519 6.718 1.00 0.00 C ATOM 0 H LEU A 92 -8.471 13.984 4.162 1.00 -0.73 H new ATOM 0 HA LEU A 92 -6.139 13.279 2.719 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -6.106 14.686 4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.853 13.422 5.686 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.501 12.313 4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.706 13.750 5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.583 14.529 4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.919 15.006 5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.771 12.173 6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -5.085 13.291 7.420 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -5.468 11.683 6.761 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.662 10.761 4.210 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.588 9.316 4.347 1.00 0.36 C ATOM 1451 C GLY A 93 -7.430 8.644 2.984 1.00 0.57 C ATOM 1452 O GLY A 93 -7.781 9.217 1.947 1.00 -0.57 O ATOM 0 H GLY A 93 -8.516 11.184 4.574 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -6.747 9.050 4.987 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.489 8.947 4.836 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.824 7.457 2.988 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.413 6.721 1.802 1.00 0.36 C ATOM 1458 C GLY A 94 -5.162 7.272 1.131 1.00 0.57 C ATOM 1459 O GLY A 94 -4.524 6.526 0.394 1.00 -0.57 O ATOM 0 H GLY A 94 -6.599 6.966 3.853 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -6.237 5.681 2.076 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -7.231 6.727 1.082 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.788 8.539 1.344 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.651 9.101 0.624 1.00 0.36 C ATOM 1465 C ASP A 95 -2.371 8.535 1.220 1.00 0.57 C ATOM 1466 O ASP A 95 -2.333 8.098 2.378 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.690 10.639 0.657 1.00 0.06 C ATOM 1468 CG ASP A 95 -4.938 11.150 -0.065 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -5.295 10.610 -1.099 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.680 12.102 0.495 1.00 -0.65 O ATOM 0 H ASP A 95 -5.246 9.178 1.994 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.693 8.820 -0.428 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.689 10.988 1.690 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.795 11.043 0.183 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.320 8.516 0.406 1.00 -0.73 N ATOM 1477 CA ALA A 96 -0.069 7.884 0.758 1.00 0.36 C ATOM 1478 C ALA A 96 1.069 8.597 0.064 1.00 0.57 C ATOM 1479 O ALA A 96 0.943 9.051 -1.079 1.00 -0.57 O ATOM 1480 CB ALA A 96 -0.106 6.411 0.340 1.00 0.00 C ATOM 0 H ALA A 96 -1.320 8.943 -0.520 1.00 -0.73 H new ATOM 0 HA ALA A 96 0.082 7.942 1.836 1.00 0.36 H new ATOM 0 HB1 ALA A 96 0.837 5.934 0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.925 5.907 0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.257 6.342 -0.737 1.00 0.00 H new ATOM 1486 N HIS A 97 2.203 8.663 0.755 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.393 9.305 0.243 1.00 0.36 C ATOM 1488 C HIS A 97 4.590 8.394 0.467 1.00 0.57 C ATOM 1489 O HIS A 97 4.543 7.466 1.278 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.609 10.697 0.851 1.00 0.17 C ATOM 1491 CG HIS A 97 2.402 11.606 0.925 1.00 0.18 C ATOM 1492 ND1 HIS A 97 2.089 12.403 2.009 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 1.458 11.827 -0.043 1.00 0.20 C ATOM 1494 CE1 HIS A 97 0.976 13.090 1.699 1.00 0.65 C ATOM 1495 NE2 HIS A 97 0.558 12.736 0.469 1.00 -0.70 N ATOM 0 H HIS A 97 2.315 8.269 1.689 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.268 9.467 -0.828 1.00 0.36 H new ATOM 0 HB2 HIS A 97 4.000 10.569 1.860 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.381 11.204 0.272 1.00 0.17 H new ATOM 0 HD2 HIS A 97 1.425 11.374 -1.023 1.00 0.20 H new ATOM 0 HE1 HIS A 97 0.492 13.814 2.338 1.00 0.65 H new ATOM 0 HE2 HIS A 97 -0.279 13.081 -0.002 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.665 8.674 -0.261 1.00 -0.73 N ATOM 1505 CA PHE A 98 6.856 7.855 -0.361 1.00 0.36 C ATOM 1506 C PHE A 98 8.078 8.773 -0.442 1.00 0.57 C ATOM 1507 O PHE A 98 7.975 9.927 -0.878 1.00 -0.57 O ATOM 1508 CB PHE A 98 6.739 7.022 -1.640 1.00 0.14 C ATOM 1509 CG PHE A 98 5.713 5.900 -1.642 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.333 6.179 -1.714 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 6.141 4.559 -1.593 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.393 5.142 -1.607 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 5.196 3.520 -1.548 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.825 3.811 -1.540 1.00 -0.15 C ATOM 0 H PHE A 98 5.727 9.522 -0.824 1.00 -0.73 H new ATOM 0 HA PHE A 98 6.962 7.200 0.504 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.505 7.697 -2.463 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.716 6.588 -1.852 1.00 0.14 H new ATOM 0 HD1 PHE A 98 3.997 7.196 -1.852 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 7.196 4.329 -1.590 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.338 5.370 -1.576 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 5.528 2.493 -1.519 1.00 -0.15 H new ATOM 0 HZ PHE A 98 3.103 3.010 -1.482 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.234 8.254 -0.039 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.487 8.996 0.010 1.00 0.36 C ATOM 1526 C ASP A 99 11.283 8.648 -1.262 1.00 0.57 C ATOM 1527 O ASP A 99 11.894 7.587 -1.351 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.178 8.644 1.346 1.00 0.06 C ATOM 1529 CG ASP A 99 12.078 9.741 1.912 1.00 0.66 C ATOM 1530 OD1 ASP A 99 12.165 9.789 3.128 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 12.665 10.575 1.058 1.00 -0.65 O ATOM 0 H ASP A 99 9.326 7.286 0.269 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.370 10.080 0.004 1.00 0.36 H new ATOM 0 HB2 ASP A 99 10.411 8.406 2.083 1.00 0.06 H new ATOM 0 HB3 ASP A 99 11.774 7.742 1.204 1.00 0.06 H new ATOM 1537 N GLU A 100 11.194 9.483 -2.308 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.840 9.302 -3.620 1.00 0.36 C ATOM 1539 C GLU A 100 13.360 9.186 -3.492 1.00 0.57 C ATOM 1540 O GLU A 100 13.979 8.488 -4.292 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.498 10.507 -4.525 1.00 0.00 C ATOM 1542 CG GLU A 100 12.103 10.492 -5.942 1.00 0.06 C ATOM 1543 CD GLU A 100 12.008 11.875 -6.593 1.00 0.66 C ATOM 1544 OE1 GLU A 100 11.016 12.118 -7.260 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 13.007 12.727 -6.381 1.00 -0.65 O ATOM 0 H GLU A 100 10.646 10.342 -2.262 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.466 8.375 -4.055 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.414 10.568 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.827 11.416 -4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.146 10.180 -5.893 1.00 0.06 H new ATOM 0 HG3 GLU A 100 11.580 9.760 -6.557 1.00 0.06 H new ATOM 1553 N ASP A 101 13.965 9.876 -2.512 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.422 9.893 -2.363 1.00 0.36 C ATOM 1555 C ASP A 101 15.918 8.477 -2.022 1.00 0.57 C ATOM 1556 O ASP A 101 16.987 8.074 -2.494 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.850 10.971 -1.340 1.00 0.06 C ATOM 1558 CG ASP A 101 17.338 11.376 -1.441 1.00 0.66 C ATOM 1559 OD1 ASP A 101 18.171 10.526 -1.172 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 17.723 12.594 -1.811 1.00 -0.65 O ATOM 0 H ASP A 101 13.465 10.427 -1.814 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.898 10.175 -3.302 1.00 0.36 H new ATOM 0 HB2 ASP A 101 15.232 11.858 -1.482 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.652 10.602 -0.334 1.00 0.06 H new ATOM 1566 N GLU A 102 15.099 7.697 -1.293 1.00 -0.73 N ATOM 1567 CA GLU A 102 15.358 6.296 -0.986 1.00 0.36 C ATOM 1568 C GLU A 102 15.197 5.461 -2.250 1.00 0.57 C ATOM 1569 O GLU A 102 14.161 5.500 -2.901 1.00 -0.57 O ATOM 1570 CB GLU A 102 14.453 5.804 0.161 1.00 0.00 C ATOM 1571 CG GLU A 102 14.743 6.664 1.395 1.00 0.06 C ATOM 1572 CD GLU A 102 14.409 5.985 2.715 1.00 0.66 C ATOM 1573 OE1 GLU A 102 13.445 6.411 3.329 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 15.247 5.041 3.134 1.00 -0.65 O ATOM 0 H GLU A 102 14.223 8.039 -0.897 1.00 -0.73 H new ATOM 0 HA GLU A 102 16.384 6.185 -0.637 1.00 0.36 H new ATOM 0 HB2 GLU A 102 13.403 5.884 -0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.647 4.753 0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.798 6.937 1.395 1.00 0.06 H new ATOM 0 HG3 GLU A 102 14.174 7.591 1.321 1.00 0.06 H new ATOM 1582 N ARG A 103 16.245 4.713 -2.609 1.00 -0.73 N ATOM 1583 CA ARG A 103 16.307 3.914 -3.833 1.00 0.36 C ATOM 1584 C ARG A 103 15.105 2.974 -3.897 1.00 0.57 C ATOM 1585 O ARG A 103 14.861 2.228 -2.948 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.627 3.127 -3.848 1.00 0.00 C ATOM 1587 CG ARG A 103 18.845 4.036 -4.079 1.00 0.00 C ATOM 1588 CD ARG A 103 20.144 3.411 -3.539 1.00 0.33 C ATOM 1589 NE ARG A 103 20.997 4.430 -2.889 1.00 -0.84 N ATOM 1590 CZ ARG A 103 21.695 4.287 -1.749 1.00 1.20 C ATOM 1591 NH1 ARG A 103 21.766 3.107 -1.129 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 22.335 5.345 -1.237 1.00 -0.97 N ATOM 0 H ARG A 103 17.091 4.646 -2.043 1.00 -0.73 H new ATOM 0 HA ARG A 103 16.274 4.562 -4.708 1.00 0.36 H new ATOM 0 HB2 ARG A 103 17.744 2.600 -2.901 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.587 2.370 -4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 103 18.954 4.232 -5.146 1.00 0.00 H new ATOM 0 HG3 ARG A 103 18.677 4.997 -3.594 1.00 0.00 H new ATOM 0 HD2 ARG A 103 19.903 2.625 -2.824 1.00 0.33 H new ATOM 0 HD3 ARG A 103 20.692 2.941 -4.356 1.00 0.33 H new ATOM 0 HE ARG A 103 21.062 5.335 -3.354 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 21.286 2.296 -1.519 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 22.300 3.016 -0.265 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 22.290 6.247 -1.711 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 22.868 5.249 -0.373 1.00 -0.97 H new ATOM 1606 N TRP A 104 14.414 2.946 -5.034 1.00 -0.73 N ATOM 1607 CA TRP A 104 13.250 2.104 -5.271 1.00 0.36 C ATOM 1608 C TRP A 104 13.605 1.126 -6.397 1.00 0.57 C ATOM 1609 O TRP A 104 14.377 1.474 -7.281 1.00 -0.57 O ATOM 1610 CB TRP A 104 12.050 2.997 -5.640 1.00 0.18 C ATOM 1611 CG TRP A 104 11.511 3.848 -4.523 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 11.717 5.174 -4.355 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.819 3.413 -3.309 1.00 0.00 C ATOM 1614 NE1 TRP A 104 11.177 5.594 -3.156 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.618 4.547 -2.466 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.437 2.159 -2.790 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 10.052 4.448 -1.186 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.886 2.050 -1.499 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.681 3.187 -0.700 1.00 -0.15 C ATOM 0 H TRP A 104 14.657 3.526 -5.837 1.00 -0.73 H new ATOM 0 HA TRP A 104 12.974 1.535 -4.383 1.00 0.36 H new ATOM 0 HB2 TRP A 104 12.344 3.650 -6.462 1.00 0.18 H new ATOM 0 HB3 TRP A 104 11.246 2.361 -6.010 1.00 0.18 H new ATOM 0 HD1 TRP A 104 12.230 5.813 -5.058 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 11.191 6.559 -2.825 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.569 1.271 -3.390 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 9.904 5.332 -0.583 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.617 1.076 -1.117 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.241 3.090 0.281 1.00 -0.15 H new ATOM 1630 N THR A 105 13.041 -0.083 -6.400 1.00 -0.73 N ATOM 1631 CA THR A 105 13.226 -1.057 -7.477 1.00 0.36 C ATOM 1632 C THR A 105 11.933 -1.848 -7.666 1.00 0.57 C ATOM 1633 O THR A 105 11.224 -2.086 -6.693 1.00 -0.57 O ATOM 1634 CB THR A 105 14.422 -1.989 -7.172 1.00 0.28 C ATOM 1635 OG1 THR A 105 14.617 -2.873 -8.258 1.00 -0.68 O ATOM 1636 CG2 THR A 105 14.261 -2.841 -5.901 1.00 0.00 C ATOM 0 H THR A 105 12.438 -0.417 -5.648 1.00 -0.73 H new ATOM 0 HA THR A 105 13.455 -0.535 -8.406 1.00 0.36 H new ATOM 0 HB THR A 105 15.273 -1.326 -7.012 1.00 0.28 H new ATOM 0 HG1 THR A 105 15.098 -3.669 -7.950 1.00 -0.68 H new ATOM 0 HG21 THR A 105 15.146 -3.463 -5.766 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.142 -2.187 -5.037 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.381 -3.477 -5.999 1.00 0.00 H new ATOM 1644 N ASP A 106 11.638 -2.302 -8.890 1.00 -0.73 N ATOM 1645 CA ASP A 106 10.566 -3.275 -9.128 1.00 0.36 C ATOM 1646 C ASP A 106 10.802 -4.554 -8.312 1.00 0.57 C ATOM 1647 O ASP A 106 9.860 -5.101 -7.744 1.00 -0.57 O ATOM 1648 CB ASP A 106 10.464 -3.611 -10.626 1.00 0.06 C ATOM 1649 CG ASP A 106 9.591 -4.857 -10.880 1.00 0.66 C ATOM 1650 OD1 ASP A 106 10.121 -5.859 -11.332 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 8.293 -4.768 -10.605 1.00 -0.65 O ATOM 0 H ASP A 106 12.130 -2.009 -9.734 1.00 -0.73 H new ATOM 0 HA ASP A 106 9.625 -2.829 -8.806 1.00 0.36 H new ATOM 0 HB2 ASP A 106 10.044 -2.759 -11.161 1.00 0.06 H new ATOM 0 HB3 ASP A 106 11.463 -3.780 -11.029 1.00 0.06 H new ATOM 1657 N GLY A 107 12.063 -4.996 -8.212 1.00 -0.73 N ATOM 1658 CA GLY A 107 12.423 -6.212 -7.493 1.00 0.36 C ATOM 1659 C GLY A 107 13.911 -6.554 -7.610 1.00 0.57 C ATOM 1660 O GLY A 107 14.500 -7.026 -6.638 1.00 -0.57 O ATOM 0 H GLY A 107 12.859 -4.515 -8.630 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 12.163 -6.096 -6.441 1.00 0.36 H new ATOM 0 HA3 GLY A 107 11.833 -7.044 -7.877 1.00 0.36 H new ATOM 1664 N SER A 108 14.527 -6.283 -8.769 1.00 -0.73 N ATOM 1665 CA SER A 108 15.965 -6.439 -8.995 1.00 0.36 C ATOM 1666 C SER A 108 16.790 -5.658 -7.958 1.00 0.57 C ATOM 1667 O SER A 108 16.451 -4.514 -7.650 1.00 -0.57 O ATOM 1668 CB SER A 108 16.291 -5.963 -10.418 1.00 0.28 C ATOM 1669 OG SER A 108 15.825 -6.902 -11.371 1.00 -0.68 O ATOM 0 H SER A 108 14.027 -5.943 -9.590 1.00 -0.73 H new ATOM 0 HA SER A 108 16.231 -7.490 -8.883 1.00 0.36 H new ATOM 0 HB2 SER A 108 15.829 -4.992 -10.598 1.00 0.28 H new ATOM 0 HB3 SER A 108 17.367 -5.829 -10.526 1.00 0.28 H new ATOM 0 HG SER A 108 16.038 -6.585 -12.274 1.00 -0.68 H new ATOM 1675 N SER A 109 17.870 -6.264 -7.442 1.00 -0.73 N ATOM 1676 CA SER A 109 18.725 -5.696 -6.398 1.00 0.36 C ATOM 1677 C SER A 109 19.280 -4.325 -6.796 1.00 0.57 C ATOM 1678 O SER A 109 20.147 -4.229 -7.661 1.00 -0.57 O ATOM 1679 CB SER A 109 19.870 -6.669 -6.081 1.00 0.28 C ATOM 1680 OG SER A 109 19.395 -7.764 -5.320 1.00 -0.68 O ATOM 0 H SER A 109 18.178 -7.186 -7.750 1.00 -0.73 H new ATOM 0 HA SER A 109 18.115 -5.549 -5.506 1.00 0.36 H new ATOM 0 HB2 SER A 109 20.316 -7.029 -7.008 1.00 0.28 H new ATOM 0 HB3 SER A 109 20.655 -6.149 -5.531 1.00 0.28 H new ATOM 0 HG SER A 109 20.137 -8.375 -5.128 1.00 -0.68 H new ATOM 1686 N LEU A 110 18.808 -3.267 -6.127 1.00 -0.73 N ATOM 1687 CA LEU A 110 19.197 -1.875 -6.387 1.00 0.36 C ATOM 1688 C LEU A 110 18.813 -0.950 -5.226 1.00 0.57 C ATOM 1689 O LEU A 110 19.517 0.015 -4.941 1.00 -0.57 O ATOM 1690 CB LEU A 110 18.513 -1.375 -7.681 1.00 0.00 C ATOM 1691 CG LEU A 110 19.527 -0.907 -8.741 1.00 0.00 C ATOM 1692 CD1 LEU A 110 18.829 -0.715 -10.095 1.00 0.00 C ATOM 1693 CD2 LEU A 110 20.223 0.399 -8.330 1.00 0.00 C ATOM 0 H LEU A 110 18.129 -3.356 -5.371 1.00 -0.73 H new ATOM 0 HA LEU A 110 20.281 -1.851 -6.498 1.00 0.36 H new ATOM 0 HB2 LEU A 110 17.901 -2.175 -8.097 1.00 0.00 H new ATOM 0 HB3 LEU A 110 17.840 -0.552 -7.438 1.00 0.00 H new ATOM 0 HG LEU A 110 20.289 -1.682 -8.827 1.00 0.00 H new ATOM 0 HD11 LEU A 110 19.557 -0.384 -10.836 1.00 0.00 H new ATOM 0 HD12 LEU A 110 18.389 -1.660 -10.415 1.00 0.00 H new ATOM 0 HD13 LEU A 110 18.044 0.035 -9.997 1.00 0.00 H new ATOM 0 HD21 LEU A 110 20.930 0.694 -9.105 1.00 0.00 H new ATOM 0 HD22 LEU A 110 19.477 1.184 -8.201 1.00 0.00 H new ATOM 0 HD23 LEU A 110 20.756 0.247 -7.391 1.00 0.00 H new ATOM 1705 N GLY A 111 17.702 -1.256 -4.551 1.00 -0.73 N ATOM 1706 CA GLY A 111 17.117 -0.459 -3.494 1.00 0.36 C ATOM 1707 C GLY A 111 15.955 -1.241 -2.902 1.00 0.57 C ATOM 1708 O GLY A 111 16.008 -2.471 -2.837 1.00 -0.57 O ATOM 0 H GLY A 111 17.170 -2.105 -4.742 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.859 -0.241 -2.726 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.772 0.498 -3.885 1.00 0.36 H new ATOM 1712 N ILE A 112 14.921 -0.520 -2.477 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.768 -1.059 -1.782 1.00 0.36 C ATOM 1714 C ILE A 112 12.696 -1.447 -2.797 1.00 0.57 C ATOM 1715 O ILE A 112 12.395 -0.689 -3.721 1.00 -0.57 O ATOM 1716 CB ILE A 112 13.290 -0.001 -0.767 1.00 0.00 C ATOM 1717 CG1 ILE A 112 14.376 0.173 0.325 1.00 0.00 C ATOM 1718 CG2 ILE A 112 11.941 -0.373 -0.130 1.00 0.00 C ATOM 1719 CD1 ILE A 112 15.215 1.449 0.170 1.00 0.00 C ATOM 0 H ILE A 112 14.866 0.489 -2.614 1.00 -0.73 H new ATOM 0 HA ILE A 112 14.014 -1.968 -1.232 1.00 0.36 H new ATOM 0 HB ILE A 112 13.136 0.939 -1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 112 13.895 0.183 1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 112 15.040 -0.691 0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.646 0.402 0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.183 -0.461 -0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 112 12.036 -1.324 0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.952 1.499 0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 112 15.726 1.434 -0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 112 14.563 2.321 0.222 1.00 0.00 H new ATOM 1731 N ASN A 113 12.112 -2.633 -2.605 1.00 -0.73 N ATOM 1732 CA ASN A 113 11.054 -3.164 -3.453 1.00 0.36 C ATOM 1733 C ASN A 113 9.834 -2.224 -3.451 1.00 0.57 C ATOM 1734 O ASN A 113 9.047 -2.189 -2.504 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.722 -4.610 -3.045 1.00 0.06 C ATOM 1736 CG ASN A 113 9.772 -5.276 -4.043 1.00 0.57 C ATOM 1737 OD1 ASN A 113 8.964 -4.618 -4.684 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 9.831 -6.589 -4.198 1.00 -0.80 N ATOM 0 H ASN A 113 12.369 -3.258 -1.841 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.397 -3.207 -4.487 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.643 -5.189 -2.977 1.00 0.06 H new ATOM 0 HB3 ASN A 113 10.269 -4.613 -2.054 1.00 0.06 H new ATOM 0 HD21 ASN A 113 9.202 -7.054 -4.853 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 10.505 -7.136 -3.663 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.688 -1.473 -4.542 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.597 -0.565 -4.839 1.00 0.36 C ATOM 1747 C PHE A 114 7.259 -1.290 -4.783 1.00 0.57 C ATOM 1748 O PHE A 114 6.281 -0.732 -4.291 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.807 0.006 -6.255 1.00 0.14 C ATOM 1750 CG PHE A 114 7.619 0.801 -6.754 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 7.545 2.178 -6.496 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 6.546 0.141 -7.388 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 6.371 2.877 -6.815 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 5.356 0.833 -7.658 1.00 -0.15 C ATOM 1755 CZ PHE A 114 5.259 2.195 -7.336 1.00 -0.15 C ATOM 0 H PHE A 114 10.381 -1.489 -5.290 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.586 0.235 -4.099 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.691 0.644 -6.256 1.00 0.14 H new ATOM 0 HB3 PHE A 114 9.005 -0.814 -6.946 1.00 0.14 H new ATOM 0 HD1 PHE A 114 8.384 2.696 -6.056 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 6.641 -0.898 -7.666 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 6.322 3.945 -6.659 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 4.520 0.321 -8.111 1.00 -0.15 H new ATOM 0 HZ PHE A 114 4.328 2.720 -7.489 1.00 -0.15 H new ATOM 1765 N LEU A 115 7.197 -2.514 -5.314 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.956 -3.255 -5.405 1.00 0.36 C ATOM 1767 C LEU A 115 5.546 -3.716 -4.008 1.00 0.57 C ATOM 1768 O LEU A 115 4.376 -3.599 -3.659 1.00 -0.57 O ATOM 1769 CB LEU A 115 6.136 -4.435 -6.374 1.00 0.00 C ATOM 1770 CG LEU A 115 4.804 -4.947 -6.952 1.00 0.00 C ATOM 1771 CD1 LEU A 115 4.275 -3.999 -8.024 1.00 0.00 C ATOM 1772 CD2 LEU A 115 5.000 -6.328 -7.591 1.00 0.00 C ATOM 0 H LEU A 115 8.006 -3.009 -5.689 1.00 -0.73 H new ATOM 0 HA LEU A 115 5.158 -2.624 -5.798 1.00 0.36 H new ATOM 0 HB2 LEU A 115 6.788 -4.130 -7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.638 -5.251 -5.855 1.00 0.00 H new ATOM 0 HG LEU A 115 4.090 -5.006 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.333 -4.383 -8.417 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.112 -3.013 -7.589 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.001 -3.923 -8.833 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.051 -6.679 -7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.733 -6.256 -8.394 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.355 -7.031 -6.837 1.00 0.00 H new ATOM 1784 N TYR A 116 6.508 -4.169 -3.189 1.00 -0.73 N ATOM 1785 CA TYR A 116 6.285 -4.506 -1.780 1.00 0.36 C ATOM 1786 C TYR A 116 5.742 -3.280 -1.051 1.00 0.57 C ATOM 1787 O TYR A 116 4.714 -3.373 -0.381 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.602 -4.994 -1.149 1.00 0.14 C ATOM 1789 CG TYR A 116 7.540 -5.622 0.237 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 6.833 -6.816 0.423 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 8.294 -5.111 1.309 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 6.943 -7.546 1.619 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 8.342 -5.781 2.546 1.00 -0.15 C ATOM 1794 CZ TYR A 116 7.696 -7.027 2.692 1.00 0.08 C ATOM 1795 OH TYR A 116 7.778 -7.727 3.857 1.00 -0.53 O ATOM 0 H TYR A 116 7.471 -4.312 -3.492 1.00 -0.73 H new ATOM 0 HA TYR A 116 5.554 -5.310 -1.697 1.00 0.36 H new ATOM 0 HB2 TYR A 116 8.047 -5.723 -1.826 1.00 0.14 H new ATOM 0 HB3 TYR A 116 8.284 -4.145 -1.101 1.00 0.14 H new ATOM 0 HD1 TYR A 116 6.192 -7.182 -0.366 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 8.844 -4.191 1.181 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 6.452 -8.503 1.716 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 8.871 -5.343 3.380 1.00 -0.15 H new ATOM 0 HH TYR A 116 8.334 -7.235 4.496 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.401 -2.128 -1.241 1.00 -0.73 N ATOM 1806 CA ALA A 117 5.991 -0.857 -0.666 1.00 0.36 C ATOM 1807 C ALA A 117 4.561 -0.523 -1.076 1.00 0.57 C ATOM 1808 O ALA A 117 3.706 -0.363 -0.213 1.00 -0.57 O ATOM 1809 CB ALA A 117 6.960 0.237 -1.119 1.00 0.00 C ATOM 0 H ALA A 117 7.246 -2.062 -1.809 1.00 -0.73 H new ATOM 0 HA ALA A 117 6.017 -0.925 0.422 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.657 1.192 -0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.968 -0.008 -0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.947 0.307 -2.207 1.00 0.00 H new ATOM 1815 N ALA A 118 4.291 -0.462 -2.383 1.00 -0.73 N ATOM 1816 CA ALA A 118 2.990 -0.089 -2.907 1.00 0.36 C ATOM 1817 C ALA A 118 1.921 -1.060 -2.413 1.00 0.57 C ATOM 1818 O ALA A 118 0.945 -0.607 -1.829 1.00 -0.57 O ATOM 1819 CB ALA A 118 3.047 -0.004 -4.437 1.00 0.00 C ATOM 0 H ALA A 118 4.979 -0.673 -3.106 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.715 0.899 -2.538 1.00 0.36 H new ATOM 0 HB1 ALA A 118 2.067 0.276 -4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.781 0.745 -4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.334 -0.973 -4.845 1.00 0.00 H new ATOM 1825 N THR A 119 2.107 -2.377 -2.560 1.00 -0.73 N ATOM 1826 CA THR A 119 1.147 -3.373 -2.084 1.00 0.36 C ATOM 1827 C THR A 119 0.888 -3.209 -0.580 1.00 0.57 C ATOM 1828 O THR A 119 -0.268 -3.299 -0.165 1.00 -0.57 O ATOM 1829 CB THR A 119 1.654 -4.783 -2.444 1.00 0.28 C ATOM 1830 OG1 THR A 119 1.720 -4.881 -3.850 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.744 -5.921 -1.976 1.00 0.00 C ATOM 0 H THR A 119 2.928 -2.780 -3.012 1.00 -0.73 H new ATOM 0 HA THR A 119 0.187 -3.223 -2.579 1.00 0.36 H new ATOM 0 HB THR A 119 2.615 -4.895 -1.943 1.00 0.28 H new ATOM 0 HG1 THR A 119 2.575 -4.519 -4.163 1.00 -0.68 H new ATOM 0 HG21 THR A 119 1.176 -6.877 -2.271 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.647 -5.886 -0.891 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.240 -5.811 -2.432 1.00 0.00 H new ATOM 1839 N HIS A 120 1.930 -2.947 0.223 1.00 -0.73 N ATOM 1840 CA HIS A 120 1.802 -2.741 1.661 1.00 0.36 C ATOM 1841 C HIS A 120 1.028 -1.440 1.948 1.00 0.57 C ATOM 1842 O HIS A 120 0.042 -1.469 2.685 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.218 -2.798 2.282 1.00 0.17 C ATOM 1844 CG HIS A 120 3.310 -2.676 3.789 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.061 -3.445 4.673 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 2.749 -1.675 4.521 1.00 0.20 C ATOM 1847 CE1 HIS A 120 3.938 -2.903 5.902 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.115 -1.849 5.829 1.00 -0.70 N ATOM 0 H HIS A 120 2.889 -2.873 -0.116 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.211 -3.527 2.131 1.00 0.36 H new ATOM 0 HB2 HIS A 120 3.679 -3.741 1.989 1.00 0.17 H new ATOM 0 HB3 HIS A 120 3.815 -2.000 1.840 1.00 0.17 H new ATOM 0 HD1 HIS A 120 4.608 -4.272 4.434 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.124 -0.882 4.137 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.424 -3.260 6.798 1.00 0.65 H new ATOM 1857 N GLU A 121 1.442 -0.300 1.376 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.834 1.005 1.643 1.00 0.36 C ATOM 1859 C GLU A 121 -0.617 1.048 1.148 1.00 0.57 C ATOM 1860 O GLU A 121 -1.502 1.551 1.842 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.636 2.128 0.955 1.00 0.00 C ATOM 1862 CG GLU A 121 3.057 2.422 1.478 1.00 0.06 C ATOM 1863 CD GLU A 121 3.213 2.251 2.985 1.00 0.66 C ATOM 1864 OE1 GLU A 121 3.026 3.224 3.697 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.520 1.043 3.448 1.00 -0.65 O ATOM 0 H GLU A 121 2.214 -0.261 0.711 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.846 1.158 2.722 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.713 1.884 -0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.055 3.047 1.029 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.762 1.762 0.973 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.328 3.443 1.209 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.879 0.492 -0.039 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.215 0.439 -0.620 1.00 0.36 C ATOM 1875 C LEU A 122 -3.113 -0.515 0.172 1.00 0.57 C ATOM 1876 O LEU A 122 -4.318 -0.293 0.233 1.00 -0.57 O ATOM 1877 CB LEU A 122 -2.149 0.010 -2.092 1.00 0.00 C ATOM 1878 CG LEU A 122 -1.812 1.122 -3.113 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -0.647 2.074 -2.797 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -1.517 0.450 -4.457 1.00 0.00 C ATOM 0 H LEU A 122 -0.161 0.064 -0.624 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.645 1.439 -0.570 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.403 -0.779 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.110 -0.426 -2.365 1.00 0.00 H new ATOM 0 HG LEU A 122 -2.690 1.768 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -0.537 2.795 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.851 2.602 -1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.274 1.500 -2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.275 1.211 -5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.672 -0.230 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.393 -0.110 -4.784 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.550 -1.537 0.828 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.295 -2.347 1.781 1.00 0.36 C ATOM 1894 C GLY A 123 -3.911 -1.488 2.879 1.00 0.57 C ATOM 1895 O GLY A 123 -5.095 -1.616 3.196 1.00 -0.57 O ATOM 0 H GLY A 123 -1.577 -1.818 0.711 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -4.081 -2.893 1.260 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.632 -3.089 2.226 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.134 -0.539 3.409 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.636 0.386 4.408 1.00 0.36 C ATOM 1901 C HIS A 124 -4.664 1.348 3.831 1.00 0.57 C ATOM 1902 O HIS A 124 -5.665 1.604 4.505 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.482 1.149 5.051 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.569 0.248 5.834 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.929 -0.722 6.744 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.213 0.185 5.694 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.808 -1.339 7.146 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.268 -0.811 6.549 1.00 -0.70 N ATOM 0 H HIS A 124 -2.156 -0.398 3.158 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.142 -0.201 5.174 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -1.909 1.658 4.276 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -2.881 1.920 5.710 1.00 0.17 H new ATOM 0 HD1 HIS A 124 -2.877 -0.933 7.056 1.00 -0.70 H new ATOM 0 HD2 HIS A 124 0.385 0.798 5.036 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.777 -2.152 7.856 1.00 0.65 H new ATOM 1917 N SER A 125 -4.450 1.838 2.603 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.406 2.713 1.935 1.00 0.36 C ATOM 1919 C SER A 125 -6.732 1.994 1.636 1.00 0.57 C ATOM 1920 O SER A 125 -7.781 2.632 1.584 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.772 3.342 0.686 1.00 0.28 C ATOM 1922 OG SER A 125 -4.892 2.563 -0.484 1.00 -0.68 O ATOM 0 H SER A 125 -3.615 1.638 2.053 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.661 3.526 2.614 1.00 0.36 H new ATOM 0 HB2 SER A 125 -5.233 4.314 0.510 1.00 0.28 H new ATOM 0 HB3 SER A 125 -3.715 3.522 0.881 1.00 0.28 H new ATOM 0 HG SER A 125 -4.770 1.617 -0.261 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.703 0.664 1.476 1.00 -0.73 N ATOM 1929 CA LEU A 126 -7.891 -0.166 1.325 1.00 0.36 C ATOM 1930 C LEU A 126 -8.732 -0.165 2.609 1.00 0.57 C ATOM 1931 O LEU A 126 -9.959 -0.046 2.547 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.459 -1.607 0.969 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.372 -2.335 -0.030 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.847 -2.284 0.384 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -8.180 -1.788 -1.451 1.00 0.00 C ATOM 0 H LEU A 126 -5.834 0.131 1.448 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.508 0.242 0.524 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.450 -1.576 0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.412 -2.193 1.887 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.077 -3.384 -0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.451 -2.812 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -9.968 -2.758 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.173 -1.245 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -8.838 -2.321 -2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.422 -0.725 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.144 -1.929 -1.758 1.00 0.00 H new ATOM 1947 N GLY A 127 -8.083 -0.300 3.774 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.800 -0.458 5.030 1.00 0.36 C ATOM 1949 C GLY A 127 -7.939 -0.863 6.220 1.00 0.57 C ATOM 1950 O GLY A 127 -8.388 -1.689 7.013 1.00 -0.57 O ATOM 0 H GLY A 127 -7.067 -0.302 3.864 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -9.299 0.482 5.266 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.579 -1.208 4.894 1.00 0.36 H new ATOM 1954 N MET A 128 -6.740 -0.285 6.372 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.769 -0.699 7.392 1.00 0.36 C ATOM 1956 C MET A 128 -5.470 -2.213 7.293 1.00 0.57 C ATOM 1957 O MET A 128 -5.760 -2.840 6.277 1.00 -0.57 O ATOM 1958 CB MET A 128 -6.226 -0.232 8.794 1.00 0.00 C ATOM 1959 CG MET A 128 -6.305 1.294 8.948 1.00 0.23 C ATOM 1960 SD MET A 128 -4.809 2.107 9.595 1.00 -0.46 S ATOM 1961 CE MET A 128 -3.799 2.344 8.123 1.00 0.23 C ATOM 0 H MET A 128 -6.416 0.486 5.788 1.00 -0.73 H new ATOM 0 HA MET A 128 -4.815 -0.205 7.208 1.00 0.36 H new ATOM 0 HB2 MET A 128 -7.206 -0.660 9.007 1.00 0.00 H new ATOM 0 HB3 MET A 128 -5.537 -0.627 9.540 1.00 0.00 H new ATOM 0 HG2 MET A 128 -6.538 1.726 7.975 1.00 0.23 H new ATOM 0 HG3 MET A 128 -7.138 1.530 9.610 1.00 0.23 H new ATOM 0 HE1 MET A 128 -3.179 3.232 8.246 1.00 0.23 H new ATOM 0 HE2 MET A 128 -3.161 1.473 7.976 1.00 0.23 H new ATOM 0 HE3 MET A 128 -4.446 2.471 7.255 1.00 0.23 H new ATOM 1971 N GLY A 129 -4.812 -2.793 8.309 1.00 -0.73 N ATOM 1972 CA GLY A 129 -4.545 -4.234 8.356 1.00 0.36 C ATOM 1973 C GLY A 129 -3.147 -4.616 8.857 1.00 0.57 C ATOM 1974 O GLY A 129 -2.677 -5.684 8.496 1.00 -0.57 O ATOM 0 H GLY A 129 -4.454 -2.279 9.114 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -5.287 -4.705 9.000 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -4.682 -4.647 7.357 1.00 0.36 H new ATOM 1978 N HIS A 130 -2.477 -3.767 9.649 1.00 -0.73 N ATOM 1979 CA HIS A 130 -1.114 -4.003 10.132 1.00 0.36 C ATOM 1980 C HIS A 130 -0.984 -5.296 10.962 1.00 0.57 C ATOM 1981 O HIS A 130 -1.975 -5.825 11.471 1.00 -0.57 O ATOM 1982 CB HIS A 130 -0.625 -2.777 10.940 1.00 0.17 C ATOM 1983 CG HIS A 130 0.506 -1.977 10.328 1.00 0.18 C ATOM 1984 ND1 HIS A 130 0.803 -0.653 10.589 1.00 -0.70 N ATOM 1985 CD2 HIS A 130 1.492 -2.439 9.493 1.00 0.20 C ATOM 1986 CE1 HIS A 130 1.933 -0.343 9.934 1.00 0.65 C ATOM 1987 NE2 HIS A 130 2.387 -1.399 9.246 1.00 -0.70 N ATOM 0 H HIS A 130 -2.874 -2.886 9.975 1.00 -0.73 H new ATOM 0 HA HIS A 130 -0.479 -4.140 9.257 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -1.472 -2.109 11.094 1.00 0.17 H new ATOM 0 HB3 HIS A 130 -0.307 -3.121 11.924 1.00 0.17 H new ATOM 0 HD2 HIS A 130 1.563 -3.440 9.094 1.00 0.20 H new ATOM 0 HE1 HIS A 130 2.411 0.625 9.958 1.00 0.65 H new ATOM 0 HE2 HIS A 130 3.220 -1.435 8.659 1.00 -0.70 H new ATOM 1996 N SER A 131 0.257 -5.764 11.154 1.00 -0.73 N ATOM 1997 CA SER A 131 0.613 -6.952 11.919 1.00 0.36 C ATOM 1998 C SER A 131 2.100 -6.874 12.315 1.00 0.57 C ATOM 1999 O SER A 131 2.787 -5.916 11.961 1.00 -0.57 O ATOM 2000 CB SER A 131 0.289 -8.224 11.107 1.00 0.28 C ATOM 2001 OG SER A 131 -0.563 -9.043 11.884 1.00 -0.68 O ATOM 0 H SER A 131 1.073 -5.298 10.759 1.00 -0.73 H new ATOM 0 HA SER A 131 0.024 -7.000 12.835 1.00 0.36 H new ATOM 0 HB2 SER A 131 -0.193 -7.961 10.165 1.00 0.28 H new ATOM 0 HB3 SER A 131 1.205 -8.759 10.857 1.00 0.28 H new ATOM 0 HG SER A 131 -0.781 -9.856 11.383 1.00 -0.68 H new ATOM 2007 N SER A 132 2.585 -7.883 13.044 1.00 -0.73 N ATOM 2008 CA SER A 132 3.944 -7.991 13.571 1.00 0.36 C ATOM 2009 C SER A 132 4.299 -9.486 13.582 1.00 0.57 C ATOM 2010 O SER A 132 4.251 -10.123 14.635 1.00 -0.57 O ATOM 2011 CB SER A 132 4.022 -7.373 14.985 1.00 0.28 C ATOM 2012 OG SER A 132 4.219 -5.969 14.965 1.00 -0.68 O ATOM 0 H SER A 132 2.009 -8.687 13.294 1.00 -0.73 H new ATOM 0 HA SER A 132 4.656 -7.443 12.954 1.00 0.36 H new ATOM 0 HB2 SER A 132 3.102 -7.598 15.525 1.00 0.28 H new ATOM 0 HB3 SER A 132 4.838 -7.841 15.536 1.00 0.28 H new ATOM 0 HG SER A 132 4.259 -5.631 15.884 1.00 -0.68 H new ATOM 2018 N ASP A 133 4.600 -10.066 12.411 1.00 -0.73 N ATOM 2019 CA ASP A 133 4.941 -11.485 12.266 1.00 0.36 C ATOM 2020 C ASP A 133 6.145 -11.608 11.321 1.00 0.57 C ATOM 2021 O ASP A 133 6.204 -10.860 10.348 1.00 -0.57 O ATOM 2022 CB ASP A 133 3.747 -12.282 11.717 1.00 0.06 C ATOM 2023 CG ASP A 133 3.746 -13.713 12.246 1.00 0.66 C ATOM 2024 OD1 ASP A 133 3.435 -13.880 13.414 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 4.145 -14.671 11.414 1.00 -0.65 O ATOM 0 H ASP A 133 4.613 -9.555 11.528 1.00 -0.73 H new ATOM 0 HA ASP A 133 5.193 -11.897 13.243 1.00 0.36 H new ATOM 0 HB2 ASP A 133 2.817 -11.788 11.998 1.00 0.06 H new ATOM 0 HB3 ASP A 133 3.785 -12.295 10.628 1.00 0.06 H new ATOM 2031 N PRO A 134 7.100 -12.535 11.536 1.00 -0.66 N ATOM 2032 CA PRO A 134 8.377 -12.557 10.814 1.00 0.36 C ATOM 2033 C PRO A 134 8.272 -12.961 9.332 1.00 0.57 C ATOM 2034 O PRO A 134 9.298 -13.085 8.663 1.00 -0.57 O ATOM 2035 CB PRO A 134 9.279 -13.502 11.616 1.00 0.00 C ATOM 2036 CG PRO A 134 8.323 -14.421 12.371 1.00 0.00 C ATOM 2037 CD PRO A 134 7.050 -13.603 12.520 1.00 0.30 C ATOM 0 HA PRO A 134 8.786 -11.548 10.752 1.00 0.36 H new ATOM 0 HB2 PRO A 134 9.936 -14.071 10.959 1.00 0.00 H new ATOM 0 HB3 PRO A 134 9.918 -12.948 12.303 1.00 0.00 H new ATOM 0 HG2 PRO A 134 8.140 -15.343 11.820 1.00 0.00 H new ATOM 0 HG3 PRO A 134 8.729 -14.705 13.342 1.00 0.00 H new ATOM 0 HD2 PRO A 134 6.171 -14.229 12.363 1.00 0.30 H new ATOM 0 HD3 PRO A 134 6.973 -13.193 13.527 1.00 0.30 H new ATOM 2045 N ASN A 135 7.053 -13.176 8.821 1.00 -0.73 N ATOM 2046 CA ASN A 135 6.768 -13.548 7.436 1.00 0.36 C ATOM 2047 C ASN A 135 5.587 -12.740 6.865 1.00 0.57 C ATOM 2048 O ASN A 135 5.263 -12.887 5.678 1.00 -0.57 O ATOM 2049 CB ASN A 135 6.522 -15.067 7.381 1.00 0.06 C ATOM 2050 CG ASN A 135 7.785 -15.843 7.750 1.00 0.57 C ATOM 2051 OD1 ASN A 135 8.729 -15.916 6.970 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 7.867 -16.390 8.958 1.00 -0.80 N ATOM 0 H ASN A 135 6.208 -13.091 9.386 1.00 -0.73 H new ATOM 0 HA ASN A 135 7.622 -13.305 6.804 1.00 0.36 H new ATOM 0 HB2 ASN A 135 5.716 -15.333 8.064 1.00 0.06 H new ATOM 0 HB3 ASN A 135 6.197 -15.350 6.380 1.00 0.06 H new ATOM 0 HD21 ASN A 135 8.719 -16.874 9.242 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 7.078 -16.326 9.602 1.00 -0.80 H new ATOM 2059 N ALA A 136 4.984 -11.866 7.688 1.00 -0.73 N ATOM 2060 CA ALA A 136 3.865 -10.995 7.356 1.00 0.36 C ATOM 2061 C ALA A 136 4.399 -9.757 6.641 1.00 0.57 C ATOM 2062 O ALA A 136 5.166 -9.038 7.263 1.00 -0.57 O ATOM 2063 CB ALA A 136 3.209 -10.546 8.676 1.00 0.00 C ATOM 0 H ALA A 136 5.288 -11.749 8.655 1.00 -0.73 H new ATOM 0 HA ALA A 136 3.150 -11.516 6.720 1.00 0.36 H new ATOM 0 HB1 ALA A 136 2.365 -9.891 8.459 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.857 -11.421 9.224 1.00 0.00 H new ATOM 0 HB3 ALA A 136 3.939 -10.009 9.281 1.00 0.00 H new ATOM 2069 N VAL A 137 3.982 -9.440 5.409 1.00 -0.73 N ATOM 2070 CA VAL A 137 4.390 -8.194 4.729 1.00 0.36 C ATOM 2071 C VAL A 137 4.108 -6.948 5.574 1.00 0.57 C ATOM 2072 O VAL A 137 4.823 -5.950 5.460 1.00 -0.57 O ATOM 2073 CB VAL A 137 3.752 -8.072 3.327 1.00 0.00 C ATOM 2074 CG1 VAL A 137 2.242 -8.316 3.331 1.00 0.00 C ATOM 2075 CG2 VAL A 137 3.973 -6.699 2.655 1.00 0.00 C ATOM 0 H VAL A 137 3.359 -10.029 4.856 1.00 -0.73 H new ATOM 0 HA VAL A 137 5.471 -8.254 4.599 1.00 0.36 H new ATOM 0 HB VAL A 137 4.266 -8.848 2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 137 1.855 -8.216 2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 137 2.037 -9.321 3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.757 -7.585 3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 137 3.496 -6.692 1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.538 -5.916 3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 137 5.042 -6.518 2.539 1.00 0.00 H new ATOM 2085 N MET A 138 3.084 -7.007 6.426 1.00 -0.73 N ATOM 2086 CA MET A 138 2.741 -5.949 7.354 1.00 0.36 C ATOM 2087 C MET A 138 3.805 -5.697 8.427 1.00 0.57 C ATOM 2088 O MET A 138 3.730 -4.647 9.059 1.00 -0.57 O ATOM 2089 CB MET A 138 1.406 -6.300 8.005 1.00 0.00 C ATOM 2090 CG MET A 138 0.236 -6.253 7.020 1.00 0.23 C ATOM 2091 SD MET A 138 -0.124 -4.605 6.353 1.00 -0.46 S ATOM 2092 CE MET A 138 0.614 -4.769 4.706 1.00 0.23 C ATOM 0 H MET A 138 2.461 -7.813 6.485 1.00 -0.73 H new ATOM 0 HA MET A 138 2.675 -5.021 6.787 1.00 0.36 H new ATOM 0 HB2 MET A 138 1.470 -7.298 8.439 1.00 0.00 H new ATOM 0 HB3 MET A 138 1.213 -5.608 8.824 1.00 0.00 H new ATOM 0 HG2 MET A 138 0.449 -6.928 6.191 1.00 0.23 H new ATOM 0 HG3 MET A 138 -0.656 -6.632 7.518 1.00 0.23 H new ATOM 0 HE1 MET A 138 0.789 -3.779 4.286 1.00 0.23 H new ATOM 0 HE2 MET A 138 1.561 -5.303 4.783 1.00 0.23 H new ATOM 0 HE3 MET A 138 -0.064 -5.324 4.057 1.00 0.23 H new ATOM 2102 N TYR A 139 4.774 -6.595 8.655 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.787 -6.380 9.683 1.00 0.36 C ATOM 2104 C TYR A 139 6.559 -5.078 9.375 1.00 0.57 C ATOM 2105 O TYR A 139 7.037 -4.909 8.248 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.685 -7.624 9.876 1.00 0.14 C ATOM 2107 CG TYR A 139 8.031 -7.663 9.156 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 8.118 -8.020 7.798 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 9.217 -7.345 9.850 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 9.343 -8.030 7.124 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 10.451 -7.302 9.172 1.00 -0.15 C ATOM 2112 CZ TYR A 139 10.509 -7.627 7.798 1.00 0.08 C ATOM 2113 OH TYR A 139 11.681 -7.560 7.109 1.00 -0.53 O ATOM 0 H TYR A 139 4.873 -7.471 8.141 1.00 -0.73 H new ATOM 0 HA TYR A 139 5.307 -6.245 10.652 1.00 0.36 H new ATOM 0 HB2 TYR A 139 6.876 -7.734 10.944 1.00 0.14 H new ATOM 0 HB3 TYR A 139 6.114 -8.498 9.562 1.00 0.14 H new ATOM 0 HD1 TYR A 139 7.219 -8.292 7.265 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 9.179 -7.133 10.908 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 9.393 -8.345 6.092 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 11.350 -7.022 9.701 1.00 -0.15 H new ATOM 0 HH TYR A 139 11.615 -8.107 6.298 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.656 -4.130 10.329 1.00 -0.66 N ATOM 2124 CA PRO A 140 7.475 -2.936 10.167 1.00 0.36 C ATOM 2125 C PRO A 140 8.971 -3.301 10.261 1.00 0.57 C ATOM 2126 O PRO A 140 9.337 -4.466 10.146 1.00 -0.57 O ATOM 2127 CB PRO A 140 6.972 -1.969 11.247 1.00 0.00 C ATOM 2128 CG PRO A 140 6.361 -2.844 12.335 1.00 0.00 C ATOM 2129 CD PRO A 140 5.964 -4.129 11.612 1.00 0.30 C ATOM 0 HA PRO A 140 7.386 -2.461 9.190 1.00 0.36 H new ATOM 0 HB2 PRO A 140 7.789 -1.366 11.643 1.00 0.00 H new ATOM 0 HB3 PRO A 140 6.234 -1.278 10.840 1.00 0.00 H new ATOM 0 HG2 PRO A 140 7.076 -3.042 13.133 1.00 0.00 H new ATOM 0 HG3 PRO A 140 5.497 -2.363 12.793 1.00 0.00 H new ATOM 0 HD2 PRO A 140 6.242 -5.004 12.200 1.00 0.30 H new ATOM 0 HD3 PRO A 140 4.884 -4.172 11.467 1.00 0.30 H new ATOM 2137 N THR A 141 9.871 -2.326 10.434 1.00 -0.73 N ATOM 2138 CA THR A 141 11.313 -2.530 10.679 1.00 0.36 C ATOM 2139 C THR A 141 12.103 -2.833 9.397 1.00 0.57 C ATOM 2140 O THR A 141 13.257 -2.422 9.327 1.00 -0.57 O ATOM 2141 CB THR A 141 11.594 -3.628 11.735 1.00 0.28 C ATOM 2142 OG1 THR A 141 10.678 -3.592 12.813 1.00 -0.68 O ATOM 2143 CG2 THR A 141 13.007 -3.531 12.321 1.00 0.00 C ATOM 0 H THR A 141 9.613 -1.340 10.407 1.00 -0.73 H new ATOM 0 HA THR A 141 11.662 -1.576 11.075 1.00 0.36 H new ATOM 0 HB THR A 141 11.484 -4.566 11.191 1.00 0.28 H new ATOM 0 HG1 THR A 141 10.895 -4.304 13.451 1.00 -0.68 H new ATOM 0 HG21 THR A 141 13.151 -4.323 13.055 1.00 0.00 H new ATOM 0 HG22 THR A 141 13.740 -3.639 11.522 1.00 0.00 H new ATOM 0 HG23 THR A 141 13.135 -2.562 12.803 1.00 0.00 H new ATOM 2151 N TYR A 142 11.495 -3.488 8.392 1.00 -0.73 N ATOM 2152 CA TYR A 142 12.080 -3.769 7.077 1.00 0.36 C ATOM 2153 C TYR A 142 13.522 -4.291 7.202 1.00 0.57 C ATOM 2154 O TYR A 142 14.487 -3.536 7.078 1.00 -0.57 O ATOM 2155 CB TYR A 142 11.897 -2.535 6.170 1.00 0.14 C ATOM 2156 CG TYR A 142 12.299 -2.732 4.721 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 11.445 -3.429 3.845 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 13.510 -2.197 4.239 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 11.824 -3.639 2.510 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 13.890 -2.393 2.899 1.00 -0.15 C ATOM 2161 CZ TYR A 142 13.065 -3.150 2.040 1.00 0.08 C ATOM 2162 OH TYR A 142 13.476 -3.416 0.768 1.00 -0.53 O ATOM 0 H TYR A 142 10.545 -3.849 8.481 1.00 -0.73 H new ATOM 0 HA TYR A 142 11.553 -4.588 6.587 1.00 0.36 H new ATOM 0 HB2 TYR A 142 10.850 -2.233 6.202 1.00 0.14 H new ATOM 0 HB3 TYR A 142 12.479 -1.711 6.583 1.00 0.14 H new ATOM 0 HD1 TYR A 142 10.496 -3.803 4.201 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 14.150 -1.633 4.902 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 11.167 -4.175 1.841 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 14.810 -1.966 2.529 1.00 -0.15 H new ATOM 0 HH TYR A 142 12.694 -3.509 0.184 1.00 -0.53 H new ATOM 2172 N GLY A 143 13.663 -5.587 7.510 1.00 -0.73 N ATOM 2173 CA GLY A 143 14.927 -6.262 7.783 1.00 0.36 C ATOM 2174 C GLY A 143 14.882 -7.752 7.424 1.00 0.57 C ATOM 2175 O GLY A 143 15.195 -8.096 6.286 1.00 -0.57 O ATOM 0 H GLY A 143 12.862 -6.215 7.577 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 15.724 -5.779 7.218 1.00 0.36 H new ATOM 0 HA3 GLY A 143 15.174 -6.153 8.839 1.00 0.36 H new ATOM 2179 N ASN A 144 14.531 -8.621 8.388 1.00 -0.73 N ATOM 2180 CA ASN A 144 14.613 -10.089 8.279 1.00 0.36 C ATOM 2181 C ASN A 144 13.681 -10.685 7.226 1.00 0.57 C ATOM 2182 O ASN A 144 14.095 -11.565 6.475 1.00 -0.57 O ATOM 2183 CB ASN A 144 14.220 -10.758 9.618 1.00 0.06 C ATOM 2184 CG ASN A 144 15.382 -11.199 10.498 1.00 0.57 C ATOM 2185 OD1 ASN A 144 16.513 -11.341 10.053 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 15.099 -11.467 11.765 1.00 -0.80 N ATOM 0 H ASN A 144 14.172 -8.313 9.291 1.00 -0.73 H new ATOM 0 HA ASN A 144 15.648 -10.284 7.998 1.00 0.36 H new ATOM 0 HB2 ASN A 144 13.602 -10.061 10.185 1.00 0.06 H new ATOM 0 HB3 ASN A 144 13.601 -11.629 9.401 1.00 0.06 H new ATOM 0 HD21 ASN A 144 15.832 -11.799 12.392 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 14.149 -11.341 12.113 1.00 -0.80 H new ATOM 2193 N GLY A 145 12.407 -10.294 7.250 1.00 -0.73 N ATOM 2194 CA GLY A 145 11.395 -10.820 6.352 1.00 0.36 C ATOM 2195 C GLY A 145 11.666 -10.232 4.975 1.00 0.57 C ATOM 2196 O GLY A 145 11.530 -9.014 4.808 1.00 -0.57 O ATOM 0 H GLY A 145 12.051 -9.596 7.903 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 11.437 -11.909 6.320 1.00 0.36 H new ATOM 0 HA3 GLY A 145 10.397 -10.549 6.696 1.00 0.36 H new ATOM 2200 N ASP A 146 12.137 -11.086 4.060 1.00 -0.73 N ATOM 2201 CA ASP A 146 12.731 -10.721 2.778 1.00 0.36 C ATOM 2202 C ASP A 146 11.695 -10.119 1.805 1.00 0.57 C ATOM 2203 O ASP A 146 10.749 -10.807 1.412 1.00 -0.57 O ATOM 2204 CB ASP A 146 13.400 -11.963 2.169 1.00 0.06 C ATOM 2205 CG ASP A 146 14.227 -11.677 0.907 1.00 0.66 C ATOM 2206 OD1 ASP A 146 13.964 -10.695 0.232 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 15.187 -12.547 0.607 1.00 -0.65 O ATOM 0 H ASP A 146 12.111 -12.096 4.204 1.00 -0.73 H new ATOM 0 HA ASP A 146 13.477 -9.945 2.950 1.00 0.36 H new ATOM 0 HB2 ASP A 146 14.047 -12.418 2.919 1.00 0.06 H new ATOM 0 HB3 ASP A 146 12.630 -12.695 1.927 1.00 0.06 H new ATOM 2213 N PRO A 147 11.871 -8.858 1.371 1.00 -0.66 N ATOM 2214 CA PRO A 147 10.946 -8.166 0.481 1.00 0.36 C ATOM 2215 C PRO A 147 11.107 -8.559 -1.000 1.00 0.57 C ATOM 2216 O PRO A 147 10.375 -8.039 -1.849 1.00 -0.57 O ATOM 2217 CB PRO A 147 11.258 -6.691 0.721 1.00 0.00 C ATOM 2218 CG PRO A 147 12.765 -6.687 0.969 1.00 0.00 C ATOM 2219 CD PRO A 147 12.984 -7.989 1.723 1.00 0.30 C ATOM 0 HA PRO A 147 9.909 -8.426 0.694 1.00 0.36 H new ATOM 0 HB2 PRO A 147 10.990 -6.078 -0.140 1.00 0.00 H new ATOM 0 HB3 PRO A 147 10.708 -6.297 1.576 1.00 0.00 H new ATOM 0 HG2 PRO A 147 13.329 -6.660 0.036 1.00 0.00 H new ATOM 0 HG3 PRO A 147 13.076 -5.822 1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 147 13.935 -8.444 1.445 1.00 0.30 H new ATOM 0 HD3 PRO A 147 13.016 -7.815 2.798 1.00 0.30 H new ATOM 2227 N GLN A 148 12.055 -9.438 -1.351 1.00 -0.73 N ATOM 2228 CA GLN A 148 12.195 -9.971 -2.704 1.00 0.36 C ATOM 2229 C GLN A 148 11.142 -11.056 -2.971 1.00 0.57 C ATOM 2230 O GLN A 148 10.718 -11.228 -4.110 1.00 -0.57 O ATOM 2231 CB GLN A 148 13.612 -10.556 -2.886 1.00 0.00 C ATOM 2232 CG GLN A 148 14.003 -10.772 -4.362 1.00 0.06 C ATOM 2233 CD GLN A 148 15.018 -11.907 -4.546 1.00 0.57 C ATOM 2234 OE1 GLN A 148 16.221 -11.765 -4.302 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 14.546 -13.058 -5.015 1.00 -0.80 N ATOM 0 H GLN A 148 12.749 -9.799 -0.696 1.00 -0.73 H new ATOM 0 HA GLN A 148 12.042 -9.161 -3.417 1.00 0.36 H new ATOM 0 HB2 GLN A 148 14.335 -9.886 -2.421 1.00 0.00 H new ATOM 0 HB3 GLN A 148 13.674 -11.508 -2.359 1.00 0.00 H new ATOM 0 HG2 GLN A 148 13.107 -10.994 -4.942 1.00 0.06 H new ATOM 0 HG3 GLN A 148 14.421 -9.848 -4.762 1.00 0.06 H new ATOM 0 HE21 GLN A 148 13.550 -13.159 -5.211 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 15.180 -13.840 -5.179 1.00 -0.80 H new ATOM 2244 N ASN A 149 10.705 -11.795 -1.941 1.00 -0.73 N ATOM 2245 CA ASN A 149 9.806 -12.938 -2.093 1.00 0.36 C ATOM 2246 C ASN A 149 8.495 -12.647 -1.373 1.00 0.57 C ATOM 2247 O ASN A 149 8.231 -13.205 -0.315 1.00 -0.57 O ATOM 2248 CB ASN A 149 10.471 -14.281 -1.703 1.00 0.06 C ATOM 2249 CG ASN A 149 11.170 -14.321 -0.340 1.00 0.57 C ATOM 2250 OD1 ASN A 149 10.572 -14.621 0.693 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 12.474 -14.066 -0.339 1.00 -0.80 N ATOM 0 H ASN A 149 10.970 -11.611 -0.973 1.00 -0.73 H new ATOM 0 HA ASN A 149 9.572 -13.072 -3.149 1.00 0.36 H new ATOM 0 HB2 ASN A 149 9.707 -15.058 -1.719 1.00 0.06 H new ATOM 0 HB3 ASN A 149 11.202 -14.537 -2.470 1.00 0.06 H new ATOM 0 HD21 ASN A 149 13.003 -14.117 0.532 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 12.946 -13.820 -1.209 1.00 -0.80 H new ATOM 2258 N PHE A 150 7.644 -11.795 -1.955 1.00 -0.73 N ATOM 2259 CA PHE A 150 6.367 -11.406 -1.361 1.00 0.36 C ATOM 2260 C PHE A 150 5.213 -11.644 -2.340 1.00 0.57 C ATOM 2261 O PHE A 150 5.385 -11.483 -3.549 1.00 -0.57 O ATOM 2262 CB PHE A 150 6.432 -9.936 -0.935 1.00 0.14 C ATOM 2263 CG PHE A 150 5.995 -8.959 -2.008 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 6.902 -8.498 -2.982 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 4.662 -8.502 -2.015 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 6.466 -7.598 -3.970 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 4.235 -7.598 -2.993 1.00 -0.15 C ATOM 2268 CZ PHE A 150 5.135 -7.149 -3.969 1.00 -0.15 C ATOM 0 H PHE A 150 7.826 -11.355 -2.857 1.00 -0.73 H new ATOM 0 HA PHE A 150 6.180 -12.022 -0.482 1.00 0.36 H new ATOM 0 HB2 PHE A 150 5.805 -9.796 -0.055 1.00 0.14 H new ATOM 0 HB3 PHE A 150 7.454 -9.700 -0.639 1.00 0.14 H new ATOM 0 HD1 PHE A 150 7.928 -8.835 -2.970 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 3.969 -8.850 -1.264 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 7.153 -7.252 -4.728 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 3.214 -7.247 -2.996 1.00 -0.15 H new ATOM 0 HZ PHE A 150 4.803 -6.453 -4.725 1.00 -0.15 H new ATOM 2278 N LYS A 151 4.037 -12.019 -1.809 1.00 -0.73 N ATOM 2279 CA LYS A 151 2.811 -12.274 -2.574 1.00 0.36 C ATOM 2280 C LYS A 151 1.615 -12.531 -1.638 1.00 0.57 C ATOM 2281 O LYS A 151 0.937 -13.546 -1.778 1.00 -0.57 O ATOM 2282 CB LYS A 151 2.994 -13.405 -3.617 1.00 0.00 C ATOM 2283 CG LYS A 151 3.611 -14.727 -3.113 1.00 0.00 C ATOM 2284 CD LYS A 151 5.153 -14.760 -3.173 1.00 0.00 C ATOM 2285 CE LYS A 151 5.679 -16.097 -3.702 1.00 0.50 C ATOM 2286 NZ LYS A 151 5.776 -17.136 -2.659 1.00 -0.85 N ATOM 0 H LYS A 151 3.913 -12.156 -0.806 1.00 -0.73 H new ATOM 0 HA LYS A 151 2.590 -11.371 -3.143 1.00 0.36 H new ATOM 0 HB2 LYS A 151 2.019 -13.629 -4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 151 3.620 -13.024 -4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 151 3.293 -14.896 -2.084 1.00 0.00 H new ATOM 0 HG3 LYS A 151 3.216 -15.551 -3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 151 5.508 -13.952 -3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 151 5.558 -14.580 -2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 151 5.022 -16.450 -4.497 1.00 0.50 H new ATOM 0 HE3 LYS A 151 6.663 -15.943 -4.146 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 6.138 -18.016 -3.078 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 6.424 -16.817 -1.911 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 4.835 -17.308 -2.252 1.00 -0.85 H new ATOM 2300 N LEU A 152 1.375 -11.612 -0.689 1.00 -0.73 N ATOM 2301 CA LEU A 152 0.250 -11.642 0.253 1.00 0.36 C ATOM 2302 C LEU A 152 0.233 -12.953 1.072 1.00 0.57 C ATOM 2303 O LEU A 152 -0.555 -13.854 0.800 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.083 -11.310 -0.468 1.00 0.00 C ATOM 2305 CG LEU A 152 -1.133 -9.910 -1.138 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -0.884 -9.974 -2.647 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -2.484 -9.212 -0.920 1.00 0.00 C ATOM 0 H LEU A 152 1.980 -10.802 -0.554 1.00 -0.73 H new ATOM 0 HA LEU A 152 0.383 -10.854 0.994 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -1.266 -12.068 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.897 -11.381 0.254 1.00 0.00 H new ATOM 0 HG LEU A 152 -0.337 -9.341 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -0.930 -8.969 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 152 0.101 -10.401 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -1.646 -10.598 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -2.472 -8.237 -1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.281 -9.821 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -2.659 -9.083 0.148 1.00 0.00 H new ATOM 2319 N SER A 153 1.157 -13.082 2.040 1.00 -0.73 N ATOM 2320 CA SER A 153 1.453 -14.325 2.757 1.00 0.36 C ATOM 2321 C SER A 153 0.261 -14.878 3.547 1.00 0.57 C ATOM 2322 O SER A 153 -0.376 -15.833 3.106 1.00 -0.57 O ATOM 2323 CB SER A 153 2.649 -14.110 3.701 1.00 0.28 C ATOM 2324 OG SER A 153 3.827 -13.806 2.988 1.00 -0.68 O ATOM 0 H SER A 153 1.732 -12.299 2.351 1.00 -0.73 H new ATOM 0 HA SER A 153 1.693 -15.070 1.998 1.00 0.36 H new ATOM 0 HB2 SER A 153 2.424 -13.300 4.395 1.00 0.28 H new ATOM 0 HB3 SER A 153 2.807 -15.008 4.299 1.00 0.28 H new ATOM 0 HG SER A 153 4.502 -13.455 3.606 1.00 -0.68 H new ATOM 2330 N GLN A 154 -0.022 -14.335 4.735 1.00 -0.73 N ATOM 2331 CA GLN A 154 -1.090 -14.829 5.601 1.00 0.36 C ATOM 2332 C GLN A 154 -1.714 -13.655 6.303 1.00 0.57 C ATOM 2333 O GLN A 154 -2.914 -13.525 6.183 1.00 -0.57 O ATOM 2334 CB GLN A 154 -0.645 -15.875 6.643 1.00 0.00 C ATOM 2335 CG GLN A 154 -0.393 -17.225 5.977 1.00 0.06 C ATOM 2336 CD GLN A 154 -0.143 -18.365 6.957 1.00 0.57 C ATOM 2337 OE1 GLN A 154 0.880 -19.024 6.846 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 -1.039 -18.661 7.892 1.00 -0.80 N ATOM 0 H GLN A 154 0.486 -13.539 5.121 1.00 -0.73 H new ATOM 0 HA GLN A 154 -1.800 -15.346 4.955 1.00 0.36 H new ATOM 0 HB2 GLN A 154 0.262 -15.535 7.143 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -1.411 -15.980 7.411 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -1.252 -17.477 5.355 1.00 0.06 H new ATOM 0 HG3 GLN A 154 0.467 -17.136 5.313 1.00 0.06 H new ATOM 0 HE21 GLN A 154 -1.890 -18.105 7.977 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 -0.876 -19.444 8.525 1.00 -0.80 H new ATOM 2347 N ASP A 155 -0.918 -12.790 6.936 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.315 -11.482 7.461 1.00 0.36 C ATOM 2349 C ASP A 155 -2.214 -10.704 6.505 1.00 0.57 C ATOM 2350 O ASP A 155 -3.261 -10.209 6.915 1.00 -0.57 O ATOM 2351 CB ASP A 155 -0.049 -10.659 7.740 1.00 0.06 C ATOM 2352 CG ASP A 155 0.787 -10.318 6.485 1.00 0.66 C ATOM 2353 OD1 ASP A 155 1.308 -9.216 6.431 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 0.944 -11.255 5.554 1.00 -0.65 O ATOM 0 H ASP A 155 0.067 -12.992 7.104 1.00 -0.73 H new ATOM 0 HA ASP A 155 -1.889 -11.655 8.371 1.00 0.36 H new ATOM 0 HB2 ASP A 155 -0.337 -9.730 8.232 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.579 -11.209 8.440 1.00 0.06 H new ATOM 2360 N ASP A 156 -1.821 -10.624 5.236 1.00 -0.73 N ATOM 2361 CA ASP A 156 -2.502 -9.833 4.223 1.00 0.36 C ATOM 2362 C ASP A 156 -3.878 -10.436 3.931 1.00 0.57 C ATOM 2363 O ASP A 156 -4.899 -9.745 4.007 1.00 -0.57 O ATOM 2364 CB ASP A 156 -1.625 -9.808 2.958 1.00 0.06 C ATOM 2365 CG ASP A 156 -1.095 -8.434 2.545 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -0.384 -8.419 1.554 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -1.398 -7.360 3.269 1.00 -0.65 O ATOM 0 H ASP A 156 -1.003 -11.119 4.879 1.00 -0.73 H new ATOM 0 HA ASP A 156 -2.656 -8.812 4.573 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -0.775 -10.473 3.114 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.203 -10.218 2.130 1.00 0.06 H new ATOM 2373 N ILE A 157 -3.915 -11.756 3.686 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.166 -12.496 3.562 1.00 0.36 C ATOM 2375 C ILE A 157 -5.958 -12.355 4.864 1.00 0.57 C ATOM 2376 O ILE A 157 -7.162 -12.164 4.790 1.00 -0.57 O ATOM 2377 CB ILE A 157 -4.927 -13.977 3.135 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -5.051 -14.141 1.600 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -5.904 -14.981 3.780 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -3.788 -13.719 0.854 1.00 0.00 C ATOM 0 H ILE A 157 -3.080 -12.331 3.570 1.00 -0.73 H new ATOM 0 HA ILE A 157 -5.766 -12.070 2.757 1.00 0.36 H new ATOM 0 HB ILE A 157 -3.919 -14.201 3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -5.273 -15.182 1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -5.893 -13.548 1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -5.673 -15.988 3.433 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -5.805 -14.939 4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -6.926 -14.726 3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -3.935 -13.856 -0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -3.577 -12.669 1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -2.948 -14.329 1.186 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.319 -12.416 6.039 1.00 -0.73 N ATOM 2393 CA LYS A 158 -5.962 -12.341 7.345 1.00 0.36 C ATOM 2394 C LYS A 158 -6.628 -10.981 7.500 1.00 0.57 C ATOM 2395 O LYS A 158 -7.758 -10.933 7.967 1.00 -0.57 O ATOM 2396 CB LYS A 158 -4.961 -12.632 8.488 1.00 0.00 C ATOM 2397 CG LYS A 158 -5.625 -13.226 9.749 1.00 0.00 C ATOM 2398 CD LYS A 158 -5.109 -14.637 10.122 1.00 0.00 C ATOM 2399 CE LYS A 158 -6.274 -15.598 10.398 1.00 0.50 C ATOM 2400 NZ LYS A 158 -5.814 -16.977 10.674 1.00 -0.85 N ATOM 0 H LYS A 158 -4.307 -12.522 6.102 1.00 -0.73 H new ATOM 0 HA LYS A 158 -6.729 -13.112 7.410 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -4.200 -13.324 8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.450 -11.708 8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -5.454 -12.553 10.589 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -6.703 -13.273 9.593 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -4.495 -15.029 9.311 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -4.470 -14.573 11.003 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -6.849 -15.233 11.249 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -6.945 -15.607 9.539 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -6.636 -17.588 10.854 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -5.288 -17.338 9.853 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -5.194 -16.976 11.509 1.00 -0.85 H new ATOM 2414 N GLY A 159 -5.989 -9.899 7.046 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.599 -8.585 6.952 1.00 0.36 C ATOM 2416 C GLY A 159 -7.815 -8.633 6.036 1.00 0.57 C ATOM 2417 O GLY A 159 -8.916 -8.304 6.470 1.00 -0.57 O ATOM 0 H GLY A 159 -5.019 -9.920 6.731 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -6.895 -8.242 7.943 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -5.874 -7.866 6.569 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.654 -9.095 4.792 1.00 -0.73 N ATOM 2422 CA ILE A 160 -8.744 -9.083 3.818 1.00 0.36 C ATOM 2423 C ILE A 160 -9.935 -9.953 4.257 1.00 0.57 C ATOM 2424 O ILE A 160 -11.078 -9.490 4.211 1.00 -0.57 O ATOM 2425 CB ILE A 160 -8.171 -9.447 2.426 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.543 -8.210 1.748 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -9.214 -10.093 1.505 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.553 -7.106 1.392 1.00 0.00 C ATOM 0 H ILE A 160 -6.779 -9.481 4.438 1.00 -0.73 H new ATOM 0 HA ILE A 160 -9.168 -8.081 3.753 1.00 0.36 H new ATOM 0 HB ILE A 160 -7.393 -10.191 2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.784 -7.793 2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -7.033 -8.528 0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -8.756 -10.326 0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -9.585 -11.010 1.962 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -10.043 -9.402 1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -8.031 -6.274 0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -9.299 -7.503 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -9.046 -6.757 2.300 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.688 -11.189 4.696 1.00 -0.73 N ATOM 2441 CA GLN A 161 -10.707 -12.130 5.148 1.00 0.36 C ATOM 2442 C GLN A 161 -11.257 -11.758 6.532 1.00 0.57 C ATOM 2443 O GLN A 161 -12.286 -12.295 6.926 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.171 -13.577 5.074 1.00 0.00 C ATOM 2445 CG GLN A 161 -9.127 -13.943 6.144 1.00 0.06 C ATOM 2446 CD GLN A 161 -9.656 -14.834 7.271 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -10.707 -14.596 7.847 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -8.944 -15.895 7.620 1.00 -0.80 N ATOM 0 H GLN A 161 -8.744 -11.571 4.747 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.560 -12.069 4.473 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -11.013 -14.264 5.160 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -9.730 -13.735 4.090 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -8.292 -14.449 5.660 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -8.734 -13.024 6.579 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -8.066 -16.099 7.143 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -9.274 -16.508 8.366 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.625 -10.826 7.260 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.237 -10.168 8.409 1.00 0.36 C ATOM 2459 C LYS A 162 -12.160 -9.053 7.902 1.00 0.57 C ATOM 2460 O LYS A 162 -13.339 -9.054 8.256 1.00 -0.57 O ATOM 2461 CB LYS A 162 -10.119 -9.668 9.347 1.00 0.00 C ATOM 2462 CG LYS A 162 -10.593 -9.009 10.648 1.00 0.00 C ATOM 2463 CD LYS A 162 -10.958 -10.046 11.722 1.00 0.00 C ATOM 2464 CE LYS A 162 -9.692 -10.561 12.423 1.00 0.50 C ATOM 2465 NZ LYS A 162 -9.936 -11.740 13.286 1.00 -0.85 N ATOM 0 H LYS A 162 -9.675 -10.511 7.063 1.00 -0.73 H new ATOM 0 HA LYS A 162 -11.855 -10.852 8.991 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.477 -10.512 9.601 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -9.504 -8.953 8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -9.809 -8.354 11.029 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -11.460 -8.382 10.441 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -11.630 -9.599 12.454 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -11.493 -10.879 11.265 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -8.948 -10.819 11.670 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -9.268 -9.759 13.027 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -9.043 -12.037 13.729 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -10.624 -11.492 14.026 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -10.313 -12.520 12.710 1.00 -0.85 H new ATOM 2479 N LEU A 163 -11.667 -8.153 7.034 1.00 -0.73 N ATOM 2480 CA LEU A 163 -12.434 -7.026 6.492 1.00 0.36 C ATOM 2481 C LEU A 163 -13.720 -7.481 5.790 1.00 0.57 C ATOM 2482 O LEU A 163 -14.792 -6.959 6.083 1.00 -0.57 O ATOM 2483 CB LEU A 163 -11.600 -6.208 5.482 1.00 0.00 C ATOM 2484 CG LEU A 163 -10.902 -4.948 6.034 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -9.420 -5.163 6.357 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -11.000 -3.833 4.989 1.00 0.00 C ATOM 0 H LEU A 163 -10.709 -8.192 6.686 1.00 -0.73 H new ATOM 0 HA LEU A 163 -12.694 -6.407 7.351 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -10.839 -6.862 5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -12.254 -5.906 4.664 1.00 0.00 H new ATOM 0 HG LEU A 163 -11.408 -4.691 6.965 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -8.993 -4.236 6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -9.321 -5.946 7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -8.890 -5.460 5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -10.510 -2.936 5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -10.511 -4.153 4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -12.049 -3.616 4.786 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.615 -8.438 4.863 1.00 -0.73 N ATOM 2499 CA TYR A 164 -14.735 -8.929 4.058 1.00 0.36 C ATOM 2500 C TYR A 164 -15.152 -10.327 4.550 1.00 0.57 C ATOM 2501 O TYR A 164 -15.608 -11.151 3.754 1.00 -0.57 O ATOM 2502 CB TYR A 164 -14.384 -8.924 2.554 1.00 0.14 C ATOM 2503 CG TYR A 164 -14.256 -7.567 1.877 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -13.138 -6.755 2.132 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -15.198 -7.172 0.904 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -12.946 -5.562 1.414 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -15.009 -5.987 0.170 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -13.871 -5.187 0.413 1.00 0.08 C ATOM 2509 OH TYR A 164 -13.672 -4.053 -0.309 1.00 -0.53 O ATOM 0 H TYR A 164 -12.732 -8.901 4.648 1.00 -0.73 H new ATOM 0 HA TYR A 164 -15.585 -8.258 4.181 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -13.442 -9.457 2.425 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -15.148 -9.495 2.026 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -12.422 -7.049 2.885 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -16.070 -7.783 0.722 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -12.094 -4.933 1.627 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -15.731 -5.690 -0.576 1.00 -0.15 H new ATOM 0 HH TYR A 164 -14.401 -3.944 -0.955 1.00 -0.53 H new ATOM 2519 N GLY A 165 -14.931 -10.639 5.835 1.00 -0.73 N ATOM 2520 CA GLY A 165 -15.145 -11.978 6.365 1.00 0.36 C ATOM 2521 C GLY A 165 -16.606 -12.215 6.694 1.00 0.57 C ATOM 2522 O GLY A 165 -17.298 -12.970 6.013 1.00 -0.57 O ATOM 0 H GLY A 165 -14.600 -9.967 6.528 1.00 -0.73 H new ATOM 0 HA2 GLY A 165 -14.810 -12.717 5.637 1.00 0.36 H new ATOM 0 HA3 GLY A 165 -14.541 -12.117 7.262 1.00 0.36 H new ATOM 2526 N LYS A 166 -17.076 -11.511 7.728 1.00 -0.73 N ATOM 2527 CA LYS A 166 -18.476 -11.483 8.136 1.00 0.36 C ATOM 2528 C LYS A 166 -18.867 -10.049 8.489 1.00 0.57 C ATOM 2529 O LYS A 166 -19.650 -9.458 7.750 1.00 -0.57 O ATOM 2530 CB LYS A 166 -18.738 -12.444 9.309 1.00 0.00 C ATOM 2531 CG LYS A 166 -18.787 -13.929 8.910 1.00 0.00 C ATOM 2532 CD LYS A 166 -19.365 -14.762 10.068 1.00 0.00 C ATOM 2533 CE LYS A 166 -18.605 -16.081 10.289 1.00 0.50 C ATOM 2534 NZ LYS A 166 -19.008 -16.712 11.562 1.00 -0.85 N ATOM 0 H LYS A 166 -16.476 -10.932 8.316 1.00 -0.73 H new ATOM 0 HA LYS A 166 -19.096 -11.826 7.307 1.00 0.36 H new ATOM 0 HB2 LYS A 166 -17.958 -12.306 10.058 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -19.683 -12.175 9.780 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -19.400 -14.055 8.018 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -17.786 -14.281 8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -19.335 -14.172 10.984 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -20.413 -14.981 9.864 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -18.802 -16.763 9.462 1.00 0.50 H new ATOM 0 HE3 LYS A 166 -17.532 -15.891 10.296 1.00 0.50 H new ATOM 0 HZ1 LYS A 166 -18.483 -17.600 11.691 1.00 -0.85 H new ATOM 0 HZ2 LYS A 166 -18.797 -16.068 12.351 1.00 -0.85 H new ATOM 0 HZ3 LYS A 166 -20.028 -16.913 11.542 1.00 -0.85 H new ATOM 2548 N ARG A 167 -18.317 -9.479 9.578 1.00 -0.73 N ATOM 2549 CA ARG A 167 -18.692 -8.144 10.081 1.00 0.36 C ATOM 2550 C ARG A 167 -17.860 -7.670 11.281 1.00 0.57 C ATOM 2551 O ARG A 167 -17.422 -6.525 11.295 1.00 -0.57 O ATOM 2552 CB ARG A 167 -20.201 -8.079 10.426 1.00 0.00 C ATOM 2553 CG ARG A 167 -20.787 -9.230 11.283 1.00 0.00 C ATOM 2554 CD ARG A 167 -21.071 -8.779 12.723 1.00 0.33 C ATOM 2555 NE ARG A 167 -21.753 -9.805 13.538 1.00 -0.84 N ATOM 2556 CZ ARG A 167 -22.660 -9.546 14.499 1.00 1.20 C ATOM 2557 NH1 ARG A 167 -23.118 -8.325 14.740 1.00 -0.97 N ATOM 2558 NH2 ARG A 167 -23.136 -10.514 15.255 1.00 -0.97 N ATOM 0 H ARG A 167 -17.596 -9.935 10.137 1.00 -0.73 H new ATOM 0 HA ARG A 167 -18.472 -7.459 9.262 1.00 0.36 H new ATOM 0 HB2 ARG A 167 -20.387 -7.141 10.949 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -20.759 -8.038 9.491 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -21.709 -9.591 10.826 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -20.088 -10.067 11.295 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -20.130 -8.511 13.204 1.00 0.33 H new ATOM 0 HD3 ARG A 167 -21.685 -7.878 12.699 1.00 0.33 H new ATOM 0 HE ARG A 167 -21.520 -10.782 13.360 1.00 -0.84 H new ATOM 0 HH11 ARG A 167 -22.783 -7.536 14.187 1.00 -0.97 H new ATOM 0 HH12 ARG A 167 -23.805 -8.175 15.479 1.00 -0.97 H new ATOM 0 HH21 ARG A 167 -22.818 -11.473 15.116 1.00 -0.97 H new ATOM 0 HH22 ARG A 167 -23.823 -10.304 15.980 1.00 -0.97 H new ATOM 2572 N SER A 168 -17.656 -8.529 12.283 1.00 -0.73 N ATOM 2573 CA SER A 168 -16.864 -8.298 13.493 1.00 0.36 C ATOM 2574 C SER A 168 -16.828 -9.643 14.225 1.00 0.57 C ATOM 2575 O SER A 168 -17.814 -10.382 14.157 1.00 -0.57 O ATOM 2576 CB SER A 168 -17.511 -7.225 14.398 1.00 0.28 C ATOM 2577 OG SER A 168 -16.740 -6.993 15.569 1.00 -0.68 O ATOM 0 H SER A 168 -18.066 -9.463 12.270 1.00 -0.73 H new ATOM 0 HA SER A 168 -15.868 -7.934 13.241 1.00 0.36 H new ATOM 0 HB2 SER A 168 -17.616 -6.294 13.841 1.00 0.28 H new ATOM 0 HB3 SER A 168 -18.515 -7.543 14.680 1.00 0.28 H new ATOM 0 HG SER A 168 -17.176 -6.308 16.118 1.00 -0.68 H new ATOM 2583 N ASN A 169 -15.714 -9.952 14.907 1.00 -0.73 N ATOM 2584 CA ASN A 169 -15.532 -11.124 15.767 1.00 0.36 C ATOM 2585 C ASN A 169 -14.198 -10.973 16.527 1.00 0.57 C ATOM 2586 O ASN A 169 -13.150 -11.379 16.020 1.00 -0.57 O ATOM 2587 CB ASN A 169 -15.585 -12.441 14.956 1.00 0.06 C ATOM 2588 CG ASN A 169 -15.948 -13.631 15.840 1.00 0.57 C ATOM 2589 OD1 ASN A 169 -15.335 -13.863 16.873 1.00 -0.57 O ATOM 2590 ND2 ASN A 169 -16.962 -14.402 15.456 1.00 -0.80 N ATOM 0 H ASN A 169 -14.881 -9.364 14.870 1.00 -0.73 H new ATOM 0 HA ASN A 169 -16.351 -11.178 16.484 1.00 0.36 H new ATOM 0 HB2 ASN A 169 -16.317 -12.346 14.154 1.00 0.06 H new ATOM 0 HB3 ASN A 169 -14.618 -12.618 14.485 1.00 0.06 H new ATOM 0 HD21 ASN A 169 -17.239 -15.201 16.026 1.00 -0.80 H new ATOM 0 HD22 ASN A 169 -17.462 -14.194 14.592 1.00 -0.80 H new ATOM 2597 N SER A 170 -14.211 -10.288 17.679 1.00 -0.73 N ATOM 2598 CA SER A 170 -13.067 -10.094 18.579 1.00 0.36 C ATOM 2599 C SER A 170 -13.623 -9.653 19.946 1.00 0.57 C ATOM 2600 O SER A 170 -14.823 -9.384 20.064 1.00 -0.57 O ATOM 2601 CB SER A 170 -12.120 -9.024 17.984 1.00 0.28 C ATOM 2602 OG SER A 170 -10.819 -8.999 18.544 1.00 -0.68 O ATOM 0 H SER A 170 -15.057 -9.834 18.024 1.00 -0.73 H new ATOM 0 HA SER A 170 -12.493 -11.013 18.698 1.00 0.36 H new ATOM 0 HB2 SER A 170 -12.034 -9.193 16.911 1.00 0.28 H new ATOM 0 HB3 SER A 170 -12.576 -8.043 18.117 1.00 0.28 H new ATOM 0 HG SER A 170 -10.290 -8.298 18.110 1.00 -0.68 H new ATOM 2608 N ARG A 171 -12.756 -9.518 20.963 1.00 -0.73 N ATOM 2609 CA ARG A 171 -13.092 -8.936 22.267 1.00 0.36 C ATOM 2610 C ARG A 171 -11.833 -8.249 22.793 1.00 0.57 C ATOM 2611 O ARG A 171 -10.740 -8.794 22.629 1.00 -0.57 O ATOM 2612 CB ARG A 171 -13.585 -10.048 23.225 1.00 0.00 C ATOM 2613 CG ARG A 171 -14.622 -9.600 24.282 1.00 0.00 C ATOM 2614 CD ARG A 171 -14.034 -9.297 25.673 1.00 0.33 C ATOM 2615 NE ARG A 171 -15.075 -8.890 26.649 1.00 -0.84 N ATOM 2616 CZ ARG A 171 -15.131 -9.219 27.956 1.00 1.20 C ATOM 2617 NH1 ARG A 171 -14.145 -9.895 28.536 1.00 -0.97 N ATOM 2618 NH2 ARG A 171 -16.163 -8.885 28.728 1.00 -0.97 N ATOM 0 H ARG A 171 -11.783 -9.817 20.897 1.00 -0.73 H new ATOM 0 HA ARG A 171 -13.898 -8.206 22.186 1.00 0.36 H new ATOM 0 HB2 ARG A 171 -14.021 -10.850 22.630 1.00 0.00 H new ATOM 0 HB3 ARG A 171 -12.722 -10.468 23.742 1.00 0.00 H new ATOM 0 HG2 ARG A 171 -15.132 -8.709 23.916 1.00 0.00 H new ATOM 0 HG3 ARG A 171 -15.377 -10.380 24.384 1.00 0.00 H new ATOM 0 HD2 ARG A 171 -13.515 -10.180 26.046 1.00 0.33 H new ATOM 0 HD3 ARG A 171 -13.291 -8.504 25.586 1.00 0.33 H new ATOM 0 HE ARG A 171 -15.827 -8.299 26.294 1.00 -0.84 H new ATOM 0 HH11 ARG A 171 -13.329 -10.174 27.992 1.00 -0.97 H new ATOM 0 HH12 ARG A 171 -14.204 -10.135 29.526 1.00 -0.97 H new ATOM 0 HH21 ARG A 171 -16.946 -8.363 28.335 1.00 -0.97 H new ATOM 0 HH22 ARG A 171 -16.171 -9.151 29.713 1.00 -0.97 H new ATOM 2632 N LYS A 172 -11.995 -7.091 23.451 1.00 -0.73 N ATOM 2633 CA LYS A 172 -10.901 -6.230 23.927 1.00 0.36 C ATOM 2634 C LYS A 172 -10.022 -5.707 22.769 1.00 0.57 C ATOM 2635 O LYS A 172 -10.339 -5.940 21.598 1.00 -0.57 O ATOM 2636 CB LYS A 172 -10.098 -6.950 25.038 1.00 0.00 C ATOM 2637 CG LYS A 172 -9.657 -6.024 26.192 1.00 0.00 C ATOM 2638 CD LYS A 172 -10.282 -6.348 27.568 1.00 0.00 C ATOM 2639 CE LYS A 172 -11.111 -5.198 28.161 1.00 0.50 C ATOM 2640 NZ LYS A 172 -12.505 -5.170 27.673 1.00 -0.85 N ATOM 0 H LYS A 172 -12.917 -6.717 23.673 1.00 -0.73 H new ATOM 0 HA LYS A 172 -11.334 -5.335 24.374 1.00 0.36 H new ATOM 0 HB2 LYS A 172 -10.705 -7.758 25.446 1.00 0.00 H new ATOM 0 HB3 LYS A 172 -9.214 -7.408 24.595 1.00 0.00 H new ATOM 0 HG2 LYS A 172 -8.572 -6.074 26.282 1.00 0.00 H new ATOM 0 HG3 LYS A 172 -9.908 -4.997 25.929 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -10.918 -7.228 27.469 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -9.486 -6.607 28.266 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -11.115 -5.285 29.247 1.00 0.50 H new ATOM 0 HE3 LYS A 172 -10.630 -4.250 27.919 1.00 0.50 H new ATOM 0 HZ1 LYS A 172 -13.010 -4.373 28.110 1.00 -0.85 H new ATOM 0 HZ2 LYS A 172 -12.509 -5.058 26.639 1.00 -0.85 H new ATOM 0 HZ3 LYS A 172 -12.979 -6.060 27.926 1.00 -0.85 H new ATOM 2654 N LYS A 173 -8.971 -4.939 23.093 1.00 -0.73 N ATOM 2655 CA LYS A 173 -8.047 -4.289 22.162 1.00 0.19 C ATOM 2656 CB LYS A 173 -8.789 -3.161 21.393 1.00 0.00 C ATOM 2657 CG LYS A 173 -8.374 -3.022 19.913 1.00 0.00 C ATOM 2658 CD LYS A 173 -7.308 -1.943 19.666 1.00 0.00 C ATOM 2659 CE LYS A 173 -6.238 -2.441 18.689 1.00 0.50 C ATOM 2660 NZ LYS A 173 -5.055 -1.558 18.717 1.00 -0.85 N ATOM 0 H LYS A 173 -8.733 -4.747 24.066 1.00 -0.73 H new ATOM 0 HB2 LYS A 173 -9.862 -3.349 21.441 1.00 0.00 H new ATOM 0 HB3 LYS A 173 -8.609 -2.213 21.899 1.00 0.00 H new ATOM 0 HG2 LYS A 173 -7.995 -3.981 19.560 1.00 0.00 H new ATOM 0 HG3 LYS A 173 -9.257 -2.790 19.318 1.00 0.00 H new ATOM 0 HD2 LYS A 173 -7.780 -1.045 19.267 1.00 0.00 H new ATOM 0 HD3 LYS A 173 -6.841 -1.665 20.611 1.00 0.00 H new ATOM 0 HE2 LYS A 173 -5.945 -3.458 18.950 1.00 0.50 H new ATOM 0 HE3 LYS A 173 -6.648 -2.476 17.680 1.00 0.50 H new ATOM 0 HZ1 LYS A 173 -4.342 -1.912 18.048 1.00 -0.85 H new ATOM 0 HZ2 LYS A 173 -5.335 -0.594 18.446 1.00 -0.85 H new ATOM 0 HZ3 LYS A 173 -4.654 -1.545 19.677 1.00 -0.85 H new TER 2674 LYS A 173 HETATM 2675 CA CA A 174 12.911 8.084 4.913 1.00 2.00 CA HETATM 2676 CA CA A 175 -7.373 10.788 0.061 1.00 2.00 CA HETATM 2677 ZN ZN A 176 3.273 12.564 3.873 1.00 2.00 ZN HETATM 2678 ZN ZN A 177 2.312 -0.481 7.332 1.00 2.00 ZN HETATM 2679 C3 MDW A 178 6.404 2.524 11.152 1.00 0.00 C HETATM 2680 C2 MDW A 178 5.389 3.432 11.441 1.00 0.00 C HETATM 2681 O1 MDW A 178 5.168 3.737 12.750 1.00 0.00 O HETATM 2682 C7 MDW A 178 4.596 3.978 10.424 1.00 0.00 C HETATM 2683 O12 MDW A 178 3.603 4.901 10.754 1.00 0.00 O HETATM 2684 C13 MDW A 178 2.808 5.612 9.773 1.00 0.00 C HETATM 2685 C6 MDW A 178 4.817 3.555 9.104 1.00 0.00 C HETATM 2686 C5 MDW A 178 5.805 2.603 8.810 1.00 0.00 C HETATM 2687 C8 MDW A 178 5.919 2.051 7.392 1.00 0.00 C HETATM 2688 C14 MDW A 178 4.664 1.267 7.077 1.00 0.00 C HETATM 2689 O15 MDW A 178 4.425 0.127 7.556 1.00 0.00 O HETATM 2690 N16 MDW A 178 3.776 1.907 6.280 1.00 0.00 N HETATM 2691 O17 MDW A 178 2.632 1.232 5.892 1.00 0.00 O HETATM 2692 C4 MDW A 178 6.611 2.104 9.841 1.00 0.00 C HETATM 2693 C10 MDW A 178 7.701 1.097 9.551 1.00 0.00 C HETATM 2694 C11 MDW A 178 7.458 0.299 8.265 1.00 0.00 C HETATM 2695 N9 MDW A 178 7.152 1.232 7.158 1.00 0.00 N HETATM 2696 S18 MDW A 178 8.477 1.999 6.502 1.00 0.00 S HETATM 2697 O40 MDW A 178 8.125 3.413 6.238 1.00 0.00 O HETATM 2698 O41 MDW A 178 9.724 1.718 7.275 1.00 0.00 O HETATM 2699 C19 MDW A 178 8.521 1.190 4.947 1.00 0.00 C HETATM 2700 C20 MDW A 178 7.595 1.539 3.959 1.00 0.00 C HETATM 2701 C21 MDW A 178 7.745 1.013 2.676 1.00 0.00 C HETATM 2702 C22 MDW A 178 8.812 0.157 2.398 1.00 0.00 C HETATM 2703 O25 MDW A 178 8.981 -0.315 1.121 1.00 0.00 O HETATM 2704 C26 MDW A 178 9.017 -1.734 0.918 1.00 0.00 C HETATM 2705 C23 MDW A 178 9.706 -0.216 3.405 1.00 0.00 C HETATM 2706 C24 MDW A 178 9.546 0.285 4.691 1.00 0.00 C HETATM 0 H48 MDW A 178 6.769 2.212 4.188 1.00 0.00 H new HETATM 0 H47 MDW A 178 9.844 -2.162 1.485 1.00 0.00 H new HETATM 0 H46 MDW A 178 8.079 -2.174 1.256 1.00 0.00 H new HETATM 0 H45 MDW A 178 9.156 -1.946 -0.142 1.00 0.00 H new HETATM 0 H44 MDW A 178 10.217 -0.028 5.491 1.00 0.00 H new HETATM 0 H43 MDW A 178 10.527 -0.898 3.182 1.00 0.00 H new HETATM 0 H42 MDW A 178 7.031 1.269 1.893 1.00 0.00 H new HETATM 0 H38 MDW A 178 3.946 2.865 5.973 1.00 0.00 H new HETATM 0 H37 MDW A 178 3.463 6.204 9.134 1.00 0.00 H new HETATM 0 H36 MDW A 178 2.257 4.896 9.163 1.00 0.00 H new HETATM 0 H35 MDW A 178 2.105 6.271 10.283 1.00 0.00 H new HETATM 0 H34 MDW A 178 8.338 -0.296 8.021 1.00 0.00 H new HETATM 0 H33 MDW A 178 6.632 -0.398 8.407 1.00 0.00 H new HETATM 0 H32 MDW A 178 8.656 1.617 9.474 1.00 0.00 H new HETATM 0 H31 MDW A 178 7.781 0.406 10.390 1.00 0.00 H new HETATM 0 H30 MDW A 178 6.017 2.897 6.712 1.00 0.00 H new HETATM 0 H29 MDW A 178 4.214 3.971 8.297 1.00 0.00 H new HETATM 0 H28 MDW A 178 7.037 2.142 11.953 1.00 0.00 H new HETATM 0 H27 MDW A 178 4.262 4.096 12.854 1.00 0.00 H new