USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 781 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 MET CE :methyl -178:sc= 0 (180deg=0) USER MOD Set 1.2: A 38 ASN : amide:sc= -3.55! C(o=-2.5!,f=-3.9!) USER MOD Set 1.3: A 83 TYR OH : rot -123:sc= 1.1 USER MOD Set 2.1: A 69 ASN : amide:sc= 0.365 K(o=0.76,f=-0.75) USER MOD Set 2.2: A 87 THR OG1 : rot -95:sc= 0.392 USER MOD Set 3.1: A 20 ASN :FLIP amide:sc= -1.16 F(o=-2,f=-0.88) USER MOD Set 3.2: A 21 THR OG1 : rot -8:sc= 0.284 USER MOD Single : A 2 ASN : amide:sc= -1.47 X(o=-1.5,f=-1.2) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00695 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 8 GLN : amide:sc= -1.24 K(o=-1.2,f=-4.3!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= -11.4! C(o=-11!,f=-12!) USER MOD Single : A 13 ASN : amide:sc= -1.25 K(o=-1.2,f=-6.1!) USER MOD Single : A 14 THR OG1 : rot -116:sc= -4.91! USER MOD Single : A 18 ASN : amide:sc= -1.38 K(o=-1.4,f=-2.5!) USER MOD Single : A 25 ASN : amide:sc= -5.65! C(o=-5.7!,f=-14!) USER MOD Single : A 26 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.49) USER MOD Single : A 28 TYR OH : rot 72:sc= -2.9 USER MOD Single : A 33 GLN : amide:sc= -0.0626 X(o=-0.063,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -71:sc= -0.323 USER MOD Single : A 43 SER OG : rot 150:sc=-0.000968 USER MOD Single : A 44 SER OG : rot 180:sc= -1.08 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 9:sc= -0.697 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 107:sc= 0.943 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.61 K(o=-1.6,f=-4.1!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0576 USER MOD Single : A 64 THR OG1 : rot 70:sc= 1.1 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00186 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -150:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -62:sc= 1.51 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -4.8! C(o=-4.8!,f=-10!) USER MOD Single : A 91 TYR OH : rot 150:sc= -3.37! USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.032) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 TYR OH : rot -130:sc= -2.05 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -8.26! C(o=-9.2!,f=-8.3!) USER MOD ----------------------------------------------------------------- ATOM 15 N ASN A 2 -2.844 2.052 7.857 1.00 12.00 N ATOM 16 CA ASN A 2 -2.193 0.717 8.048 1.00 12.00 C ATOM 17 C ASN A 2 -2.529 -0.168 6.831 1.00 12.00 C ATOM 18 O ASN A 2 -3.425 0.146 6.066 1.00 12.00 O ATOM 19 CB ASN A 2 -2.698 0.103 9.363 1.00 12.00 C ATOM 20 CG ASN A 2 -2.113 -1.298 9.572 1.00 12.00 C ATOM 21 OD1 ASN A 2 -0.916 -1.488 9.485 1.00 12.00 O ATOM 22 ND2 ASN A 2 -2.911 -2.291 9.863 1.00 12.00 N ATOM 0 HA ASN A 2 -1.109 0.808 8.116 1.00 12.00 H new ATOM 0 HB2 ASN A 2 -2.421 0.745 10.199 1.00 12.00 H new ATOM 0 HB3 ASN A 2 -3.787 0.049 9.349 1.00 12.00 H new ATOM 0 HD21 ASN A 2 -2.529 -3.224 10.017 1.00 12.00 H new ATOM 0 HD22 ASN A 2 -3.916 -2.133 9.936 1.00 12.00 H new ATOM 29 N TRP A 3 -1.791 -1.241 6.630 1.00 12.00 N ATOM 30 CA TRP A 3 -2.023 -2.139 5.433 1.00 12.00 C ATOM 31 C TRP A 3 -3.325 -2.961 5.608 1.00 12.00 C ATOM 32 O TRP A 3 -3.861 -3.467 4.642 1.00 12.00 O ATOM 33 CB TRP A 3 -0.823 -3.099 5.268 1.00 12.00 C ATOM 34 CG TRP A 3 -0.152 -2.968 3.925 1.00 12.00 C ATOM 35 CD1 TRP A 3 1.159 -2.668 3.773 1.00 12.00 C ATOM 36 CD2 TRP A 3 -0.680 -3.162 2.569 1.00 12.00 C ATOM 37 NE1 TRP A 3 1.475 -2.679 2.429 1.00 12.00 N ATOM 38 CE2 TRP A 3 0.382 -2.977 1.647 1.00 12.00 C ATOM 39 CE3 TRP A 3 -1.948 -3.479 2.047 1.00 12.00 C ATOM 40 CZ2 TRP A 3 0.193 -3.108 0.271 1.00 12.00 C ATOM 41 CZ3 TRP A 3 -2.140 -3.612 0.660 1.00 12.00 C ATOM 42 CH2 TRP A 3 -1.070 -3.429 -0.227 1.00 12.00 C ATOM 0 H TRP A 3 -1.033 -1.539 7.244 1.00 12.00 H new ATOM 0 HA TRP A 3 -2.123 -1.516 4.544 1.00 12.00 H new ATOM 0 HB2 TRP A 3 -0.094 -2.901 6.054 1.00 12.00 H new ATOM 0 HB3 TRP A 3 -1.164 -4.126 5.400 1.00 12.00 H new ATOM 0 HD1 TRP A 3 1.849 -2.454 4.576 1.00 12.00 H new ATOM 0 HE1 TRP A 3 2.407 -2.489 2.060 1.00 12.00 H new ATOM 0 HE3 TRP A 3 -2.782 -3.622 2.718 1.00 12.00 H new ATOM 0 HZ2 TRP A 3 1.021 -2.961 -0.406 1.00 12.00 H new ATOM 0 HZ3 TRP A 3 -3.119 -3.857 0.275 1.00 12.00 H new ATOM 0 HH2 TRP A 3 -1.223 -3.536 -1.291 1.00 12.00 H new ATOM 53 N ALA A 4 -3.820 -3.107 6.831 1.00 12.00 N ATOM 54 CA ALA A 4 -5.080 -3.912 7.079 1.00 12.00 C ATOM 55 C ALA A 4 -6.322 -3.115 6.648 1.00 12.00 C ATOM 56 O ALA A 4 -7.052 -3.519 5.746 1.00 12.00 O ATOM 57 CB ALA A 4 -5.175 -4.244 8.573 1.00 12.00 C ATOM 0 H ALA A 4 -3.403 -2.702 7.669 1.00 12.00 H new ATOM 0 HA ALA A 4 -5.038 -4.831 6.494 1.00 12.00 H new ATOM 0 HB1 ALA A 4 -6.079 -4.823 8.760 1.00 12.00 H new ATOM 0 HB2 ALA A 4 -4.303 -4.825 8.873 1.00 12.00 H new ATOM 0 HB3 ALA A 4 -5.210 -3.320 9.150 1.00 12.00 H new ATOM 63 N THR A 5 -6.557 -1.983 7.278 1.00 12.00 N ATOM 64 CA THR A 5 -7.728 -1.126 6.912 1.00 12.00 C ATOM 65 C THR A 5 -7.524 -0.652 5.476 1.00 12.00 C ATOM 66 O THR A 5 -8.471 -0.527 4.711 1.00 12.00 O ATOM 67 CB THR A 5 -7.815 0.072 7.866 1.00 12.00 C ATOM 68 OG1 THR A 5 -7.586 -0.375 9.193 1.00 12.00 O ATOM 69 CG2 THR A 5 -9.205 0.694 7.778 1.00 12.00 C ATOM 0 H THR A 5 -5.981 -1.617 8.036 1.00 12.00 H new ATOM 0 HA THR A 5 -8.659 -1.688 6.993 1.00 12.00 H new ATOM 0 HB THR A 5 -7.067 0.815 7.590 1.00 12.00 H new ATOM 0 HG1 THR A 5 -7.638 0.386 9.808 1.00 12.00 H new ATOM 0 HG21 THR A 5 -9.266 1.545 8.456 1.00 12.00 H new ATOM 0 HG22 THR A 5 -9.390 1.029 6.757 1.00 12.00 H new ATOM 0 HG23 THR A 5 -9.954 -0.047 8.058 1.00 12.00 H new ATOM 77 N PHE A 6 -6.276 -0.439 5.097 1.00 12.00 N ATOM 78 CA PHE A 6 -5.967 -0.029 3.704 1.00 12.00 C ATOM 79 C PHE A 6 -6.131 -1.252 2.795 1.00 12.00 C ATOM 80 O PHE A 6 -6.401 -1.112 1.623 1.00 12.00 O ATOM 81 CB PHE A 6 -4.559 0.520 3.617 1.00 12.00 C ATOM 82 CG PHE A 6 -4.343 1.051 2.225 1.00 12.00 C ATOM 83 CD1 PHE A 6 -4.023 0.160 1.201 1.00 12.00 C ATOM 84 CD2 PHE A 6 -4.472 2.426 1.950 1.00 12.00 C ATOM 85 CE1 PHE A 6 -3.825 0.628 -0.092 1.00 12.00 C ATOM 86 CE2 PHE A 6 -4.274 2.895 0.649 1.00 12.00 C ATOM 87 CZ PHE A 6 -3.951 1.990 -0.371 1.00 12.00 C ATOM 0 H PHE A 6 -5.464 -0.536 5.706 1.00 12.00 H new ATOM 0 HA PHE A 6 -6.649 0.760 3.385 1.00 12.00 H new ATOM 0 HB2 PHE A 6 -4.414 1.312 4.352 1.00 12.00 H new ATOM 0 HB3 PHE A 6 -3.833 -0.261 3.842 1.00 12.00 H new ATOM 0 HD1 PHE A 6 -3.929 -0.895 1.413 1.00 12.00 H new ATOM 0 HD2 PHE A 6 -4.723 3.116 2.742 1.00 12.00 H new ATOM 0 HE1 PHE A 6 -3.573 -0.063 -0.883 1.00 12.00 H new ATOM 0 HE2 PHE A 6 -4.369 3.948 0.431 1.00 12.00 H new ATOM 0 HZ PHE A 6 -3.799 2.348 -1.378 1.00 12.00 H new ATOM 97 N GLN A 7 -6.028 -2.459 3.341 1.00 12.00 N ATOM 98 CA GLN A 7 -6.247 -3.703 2.511 1.00 12.00 C ATOM 99 C GLN A 7 -7.613 -3.561 1.849 1.00 12.00 C ATOM 100 O GLN A 7 -7.807 -3.962 0.717 1.00 12.00 O ATOM 101 CB GLN A 7 -6.247 -4.956 3.389 1.00 12.00 C ATOM 102 CG GLN A 7 -6.322 -6.203 2.501 1.00 12.00 C ATOM 103 CD GLN A 7 -7.113 -7.295 3.224 1.00 12.00 C ATOM 104 OE1 GLN A 7 -6.906 -7.533 4.396 1.00 12.00 O ATOM 105 NE2 GLN A 7 -8.018 -7.974 2.572 1.00 12.00 N ATOM 0 H GLN A 7 -5.803 -2.631 4.321 1.00 12.00 H new ATOM 0 HA GLN A 7 -5.447 -3.807 1.778 1.00 12.00 H new ATOM 0 HB2 GLN A 7 -5.344 -4.985 3.999 1.00 12.00 H new ATOM 0 HB3 GLN A 7 -7.095 -4.933 4.074 1.00 12.00 H new ATOM 0 HG2 GLN A 7 -6.801 -5.959 1.553 1.00 12.00 H new ATOM 0 HG3 GLN A 7 -5.318 -6.559 2.269 1.00 12.00 H new ATOM 0 HE21 GLN A 7 -8.193 -7.775 1.587 1.00 12.00 H new ATOM 0 HE22 GLN A 7 -8.550 -8.703 3.048 1.00 12.00 H new ATOM 114 N GLN A 8 -8.538 -2.941 2.559 1.00 12.00 N ATOM 115 CA GLN A 8 -9.892 -2.691 1.995 1.00 12.00 C ATOM 116 C GLN A 8 -9.760 -1.552 0.972 1.00 12.00 C ATOM 117 O GLN A 8 -10.324 -1.613 -0.109 1.00 12.00 O ATOM 118 CB GLN A 8 -10.853 -2.284 3.118 1.00 12.00 C ATOM 119 CG GLN A 8 -11.522 -3.534 3.693 1.00 12.00 C ATOM 120 CD GLN A 8 -10.564 -4.216 4.672 1.00 12.00 C ATOM 121 OE1 GLN A 8 -10.670 -4.035 5.868 1.00 12.00 O ATOM 122 NE2 GLN A 8 -9.628 -5.000 4.211 1.00 12.00 N ATOM 0 H GLN A 8 -8.401 -2.600 3.510 1.00 12.00 H new ATOM 0 HA GLN A 8 -10.287 -3.588 1.518 1.00 12.00 H new ATOM 0 HB2 GLN A 8 -10.311 -1.755 3.902 1.00 12.00 H new ATOM 0 HB3 GLN A 8 -11.608 -1.598 2.734 1.00 12.00 H new ATOM 0 HG2 GLN A 8 -12.448 -3.264 4.201 1.00 12.00 H new ATOM 0 HG3 GLN A 8 -11.788 -4.220 2.889 1.00 12.00 H new ATOM 0 HE21 GLN A 8 -9.539 -5.152 3.206 1.00 12.00 H new ATOM 0 HE22 GLN A 8 -8.985 -5.461 4.855 1.00 12.00 H new ATOM 131 N LYS A 9 -8.982 -0.526 1.304 1.00 12.00 N ATOM 132 CA LYS A 9 -8.764 0.630 0.358 1.00 12.00 C ATOM 133 C LYS A 9 -8.323 0.104 -1.017 1.00 12.00 C ATOM 134 O LYS A 9 -8.575 0.726 -2.036 1.00 12.00 O ATOM 135 CB LYS A 9 -7.661 1.559 0.899 1.00 12.00 C ATOM 136 CG LYS A 9 -8.166 2.335 2.115 1.00 12.00 C ATOM 137 CD LYS A 9 -8.926 3.580 1.644 1.00 12.00 C ATOM 138 CE LYS A 9 -9.784 4.128 2.787 1.00 12.00 C ATOM 139 NZ LYS A 9 -9.038 5.205 3.499 1.00 12.00 N ATOM 0 H LYS A 9 -8.490 -0.445 2.194 1.00 12.00 H new ATOM 0 HA LYS A 9 -9.700 1.181 0.267 1.00 12.00 H new ATOM 0 HB2 LYS A 9 -6.784 0.972 1.173 1.00 12.00 H new ATOM 0 HB3 LYS A 9 -7.348 2.254 0.120 1.00 12.00 H new ATOM 0 HG2 LYS A 9 -8.818 1.704 2.718 1.00 12.00 H new ATOM 0 HG3 LYS A 9 -7.328 2.625 2.749 1.00 12.00 H new ATOM 0 HD2 LYS A 9 -8.222 4.341 1.308 1.00 12.00 H new ATOM 0 HD3 LYS A 9 -9.557 3.331 0.791 1.00 12.00 H new ATOM 0 HE2 LYS A 9 -10.723 4.520 2.395 1.00 12.00 H new ATOM 0 HE3 LYS A 9 -10.038 3.327 3.481 1.00 12.00 H new ATOM 0 HZ1 LYS A 9 -9.622 5.577 4.275 1.00 12.00 H new ATOM 0 HZ2 LYS A 9 -8.154 4.818 3.886 1.00 12.00 H new ATOM 0 HZ3 LYS A 9 -8.818 5.973 2.833 1.00 12.00 H new ATOM 153 N HIS A 10 -7.651 -1.028 -1.032 1.00 12.00 N ATOM 154 CA HIS A 10 -7.151 -1.624 -2.315 1.00 12.00 C ATOM 155 C HIS A 10 -8.095 -2.695 -2.875 1.00 12.00 C ATOM 156 O HIS A 10 -8.075 -2.922 -4.078 1.00 12.00 O ATOM 157 CB HIS A 10 -5.764 -2.271 -2.116 1.00 12.00 C ATOM 158 CG HIS A 10 -4.672 -1.370 -2.606 1.00 12.00 C ATOM 159 ND1 HIS A 10 -3.350 -1.784 -2.629 1.00 12.00 N ATOM 160 CD2 HIS A 10 -4.676 -0.099 -3.113 1.00 12.00 C ATOM 161 CE1 HIS A 10 -2.621 -0.782 -3.140 1.00 12.00 C ATOM 162 NE2 HIS A 10 -3.376 0.269 -3.454 1.00 12.00 N ATOM 0 H HIS A 10 -7.426 -1.570 -0.198 1.00 12.00 H new ATOM 0 HA HIS A 10 -7.094 -0.798 -3.024 1.00 12.00 H new ATOM 0 HB2 HIS A 10 -5.611 -2.492 -1.060 1.00 12.00 H new ATOM 0 HB3 HIS A 10 -5.723 -3.221 -2.649 1.00 12.00 H new ATOM 0 HD1 HIS A 10 -2.996 -2.687 -2.314 1.00 12.00 H new ATOM 0 HD2 HIS A 10 -5.551 0.523 -3.231 1.00 12.00 H new ATOM 0 HE1 HIS A 10 -1.551 -0.822 -3.280 1.00 12.00 H new ATOM 170 N ILE A 11 -8.865 -3.406 -2.051 1.00 12.00 N ATOM 171 CA ILE A 11 -9.712 -4.502 -2.641 1.00 12.00 C ATOM 172 C ILE A 11 -11.166 -4.573 -2.135 1.00 12.00 C ATOM 173 O ILE A 11 -11.571 -5.545 -1.501 1.00 12.00 O ATOM 174 CB ILE A 11 -9.018 -5.859 -2.402 1.00 12.00 C ATOM 175 CG1 ILE A 11 -7.546 -5.787 -2.844 1.00 12.00 C ATOM 176 CG2 ILE A 11 -9.754 -6.972 -3.175 1.00 12.00 C ATOM 177 CD1 ILE A 11 -7.436 -5.600 -4.364 1.00 12.00 C ATOM 0 H ILE A 11 -8.937 -3.277 -1.042 1.00 12.00 H new ATOM 0 HA ILE A 11 -9.796 -4.263 -3.701 1.00 12.00 H new ATOM 0 HB ILE A 11 -9.051 -6.090 -1.337 1.00 12.00 H new ATOM 0 HG12 ILE A 11 -7.050 -4.960 -2.336 1.00 12.00 H new ATOM 0 HG13 ILE A 11 -7.029 -6.700 -2.548 1.00 12.00 H new ATOM 0 HG21 ILE A 11 -9.257 -7.926 -3.000 1.00 12.00 H new ATOM 0 HG22 ILE A 11 -10.787 -7.032 -2.831 1.00 12.00 H new ATOM 0 HG23 ILE A 11 -9.740 -6.745 -4.241 1.00 12.00 H new ATOM 0 HD11 ILE A 11 -6.385 -5.552 -4.650 1.00 12.00 H new ATOM 0 HD12 ILE A 11 -7.912 -6.441 -4.869 1.00 12.00 H new ATOM 0 HD13 ILE A 11 -7.933 -4.674 -4.654 1.00 12.00 H new ATOM 189 N ILE A 12 -11.983 -3.632 -2.547 1.00 12.00 N ATOM 190 CA ILE A 12 -13.439 -3.737 -2.251 1.00 12.00 C ATOM 191 C ILE A 12 -13.996 -4.306 -3.561 1.00 12.00 C ATOM 192 O ILE A 12 -14.756 -3.667 -4.270 1.00 12.00 O ATOM 193 CB ILE A 12 -14.058 -2.368 -1.934 1.00 12.00 C ATOM 194 CG1 ILE A 12 -13.390 -1.752 -0.695 1.00 12.00 C ATOM 195 CG2 ILE A 12 -15.557 -2.530 -1.673 1.00 12.00 C ATOM 196 CD1 ILE A 12 -13.533 -2.690 0.514 1.00 12.00 C ATOM 0 H ILE A 12 -11.703 -2.803 -3.071 1.00 12.00 H new ATOM 0 HA ILE A 12 -13.657 -4.348 -1.375 1.00 12.00 H new ATOM 0 HB ILE A 12 -13.901 -1.708 -2.787 1.00 12.00 H new ATOM 0 HG12 ILE A 12 -12.335 -1.567 -0.897 1.00 12.00 H new ATOM 0 HG13 ILE A 12 -13.845 -0.787 -0.471 1.00 12.00 H new ATOM 0 HG21 ILE A 12 -15.994 -1.557 -1.448 1.00 12.00 H new ATOM 0 HG22 ILE A 12 -16.037 -2.948 -2.558 1.00 12.00 H new ATOM 0 HG23 ILE A 12 -15.709 -3.200 -0.827 1.00 12.00 H new ATOM 0 HD11 ILE A 12 -13.054 -2.239 1.383 1.00 12.00 H new ATOM 0 HD12 ILE A 12 -14.590 -2.853 0.725 1.00 12.00 H new ATOM 0 HD13 ILE A 12 -13.056 -3.645 0.292 1.00 12.00 H new ATOM 208 N ASN A 13 -13.526 -5.494 -3.913 1.00 12.00 N ATOM 209 CA ASN A 13 -13.905 -6.148 -5.209 1.00 12.00 C ATOM 210 C ASN A 13 -15.315 -6.750 -5.120 1.00 12.00 C ATOM 211 O ASN A 13 -15.493 -7.960 -5.029 1.00 12.00 O ATOM 212 CB ASN A 13 -12.878 -7.243 -5.541 1.00 12.00 C ATOM 213 CG ASN A 13 -12.887 -7.503 -7.048 1.00 12.00 C ATOM 214 OD1 ASN A 13 -13.938 -7.597 -7.653 1.00 12.00 O ATOM 215 ND2 ASN A 13 -11.755 -7.625 -7.684 1.00 12.00 N ATOM 0 H ASN A 13 -12.884 -6.042 -3.340 1.00 12.00 H new ATOM 0 HA ASN A 13 -13.908 -5.399 -6.001 1.00 12.00 H new ATOM 0 HB2 ASN A 13 -11.883 -6.934 -5.219 1.00 12.00 H new ATOM 0 HB3 ASN A 13 -13.118 -8.159 -5.001 1.00 12.00 H new ATOM 0 HD21 ASN A 13 -11.751 -7.799 -8.689 1.00 12.00 H new ATOM 0 HD22 ASN A 13 -10.874 -7.546 -7.176 1.00 12.00 H new ATOM 222 N THR A 14 -16.313 -5.903 -5.153 1.00 12.00 N ATOM 223 CA THR A 14 -17.726 -6.375 -5.080 1.00 12.00 C ATOM 224 C THR A 14 -18.540 -5.698 -6.213 1.00 12.00 C ATOM 225 O THR A 14 -19.369 -4.839 -5.946 1.00 12.00 O ATOM 226 CB THR A 14 -18.301 -6.011 -3.705 1.00 12.00 C ATOM 227 OG1 THR A 14 -17.854 -4.714 -3.327 1.00 12.00 O ATOM 228 CG2 THR A 14 -17.835 -7.037 -2.672 1.00 12.00 C ATOM 0 H THR A 14 -16.205 -4.892 -5.228 1.00 12.00 H new ATOM 0 HA THR A 14 -17.778 -7.456 -5.207 1.00 12.00 H new ATOM 0 HB THR A 14 -19.390 -6.014 -3.754 1.00 12.00 H new ATOM 0 HG1 THR A 14 -17.295 -4.782 -2.525 1.00 12.00 H new ATOM 0 HG21 THR A 14 -18.243 -6.780 -1.694 1.00 12.00 H new ATOM 0 HG22 THR A 14 -18.183 -8.028 -2.961 1.00 12.00 H new ATOM 0 HG23 THR A 14 -16.746 -7.035 -2.623 1.00 12.00 H new ATOM 236 N PRO A 15 -18.284 -6.095 -7.462 1.00 12.00 N ATOM 237 CA PRO A 15 -18.994 -5.527 -8.626 1.00 12.00 C ATOM 238 C PRO A 15 -20.400 -6.139 -8.728 1.00 12.00 C ATOM 239 O PRO A 15 -20.638 -7.072 -9.483 1.00 12.00 O ATOM 240 CB PRO A 15 -18.110 -5.909 -9.819 1.00 12.00 C ATOM 241 CG PRO A 15 -17.266 -7.122 -9.371 1.00 12.00 C ATOM 242 CD PRO A 15 -17.277 -7.129 -7.831 1.00 12.00 C ATOM 0 HA PRO A 15 -19.143 -4.449 -8.567 1.00 12.00 H new ATOM 0 HB2 PRO A 15 -18.719 -6.160 -10.688 1.00 12.00 H new ATOM 0 HB3 PRO A 15 -17.469 -5.076 -10.109 1.00 12.00 H new ATOM 0 HG2 PRO A 15 -17.683 -8.049 -9.765 1.00 12.00 H new ATOM 0 HG3 PRO A 15 -16.247 -7.045 -9.750 1.00 12.00 H new ATOM 0 HD2 PRO A 15 -17.552 -8.109 -7.440 1.00 12.00 H new ATOM 0 HD3 PRO A 15 -16.294 -6.889 -7.426 1.00 12.00 H new ATOM 250 N ILE A 16 -21.325 -5.611 -7.956 1.00 12.00 N ATOM 251 CA ILE A 16 -22.731 -6.120 -7.958 1.00 12.00 C ATOM 252 C ILE A 16 -23.691 -4.922 -7.964 1.00 12.00 C ATOM 253 O ILE A 16 -23.273 -3.793 -8.172 1.00 12.00 O ATOM 254 CB ILE A 16 -22.962 -6.974 -6.704 1.00 12.00 C ATOM 255 CG1 ILE A 16 -22.543 -6.188 -5.457 1.00 12.00 C ATOM 256 CG2 ILE A 16 -22.124 -8.250 -6.799 1.00 12.00 C ATOM 257 CD1 ILE A 16 -23.233 -6.777 -4.225 1.00 12.00 C ATOM 0 H ILE A 16 -21.158 -4.835 -7.315 1.00 12.00 H new ATOM 0 HA ILE A 16 -22.909 -6.732 -8.842 1.00 12.00 H new ATOM 0 HB ILE A 16 -24.019 -7.230 -6.633 1.00 12.00 H new ATOM 0 HG12 ILE A 16 -21.461 -6.229 -5.335 1.00 12.00 H new ATOM 0 HG13 ILE A 16 -22.811 -5.138 -5.569 1.00 12.00 H new ATOM 0 HG21 ILE A 16 -22.286 -8.859 -5.909 1.00 12.00 H new ATOM 0 HG22 ILE A 16 -22.419 -8.814 -7.684 1.00 12.00 H new ATOM 0 HG23 ILE A 16 -21.069 -7.988 -6.872 1.00 12.00 H new ATOM 0 HD11 ILE A 16 -22.934 -6.217 -3.338 1.00 12.00 H new ATOM 0 HD12 ILE A 16 -24.314 -6.713 -4.348 1.00 12.00 H new ATOM 0 HD13 ILE A 16 -22.943 -7.821 -4.110 1.00 12.00 H new ATOM 269 N ILE A 17 -24.967 -5.162 -7.745 1.00 12.00 N ATOM 270 CA ILE A 17 -25.969 -4.044 -7.739 1.00 12.00 C ATOM 271 C ILE A 17 -26.400 -3.744 -6.295 1.00 12.00 C ATOM 272 O ILE A 17 -27.520 -3.329 -6.037 1.00 12.00 O ATOM 273 CB ILE A 17 -27.177 -4.454 -8.586 1.00 12.00 C ATOM 274 CG1 ILE A 17 -27.739 -5.777 -8.062 1.00 12.00 C ATOM 275 CG2 ILE A 17 -26.735 -4.633 -10.040 1.00 12.00 C ATOM 276 CD1 ILE A 17 -29.247 -5.828 -8.318 1.00 12.00 C ATOM 0 H ILE A 17 -25.357 -6.088 -7.570 1.00 12.00 H new ATOM 0 HA ILE A 17 -25.525 -3.142 -8.161 1.00 12.00 H new ATOM 0 HB ILE A 17 -27.945 -3.682 -8.527 1.00 12.00 H new ATOM 0 HG12 ILE A 17 -27.247 -6.615 -8.556 1.00 12.00 H new ATOM 0 HG13 ILE A 17 -27.537 -5.873 -6.995 1.00 12.00 H new ATOM 0 HG21 ILE A 17 -27.592 -4.925 -10.647 1.00 12.00 H new ATOM 0 HG22 ILE A 17 -26.328 -3.694 -10.415 1.00 12.00 H new ATOM 0 HG23 ILE A 17 -25.970 -5.408 -10.095 1.00 12.00 H new ATOM 0 HD11 ILE A 17 -29.648 -6.770 -7.945 1.00 12.00 H new ATOM 0 HD12 ILE A 17 -29.732 -4.998 -7.803 1.00 12.00 H new ATOM 0 HD13 ILE A 17 -29.437 -5.751 -9.389 1.00 12.00 H new ATOM 288 N ASN A 18 -25.496 -3.946 -5.362 1.00 12.00 N ATOM 289 CA ASN A 18 -25.791 -3.678 -3.911 1.00 12.00 C ATOM 290 C ASN A 18 -24.515 -3.155 -3.242 1.00 12.00 C ATOM 291 O ASN A 18 -23.652 -3.927 -2.845 1.00 12.00 O ATOM 292 CB ASN A 18 -26.232 -4.980 -3.231 1.00 12.00 C ATOM 293 CG ASN A 18 -27.355 -5.632 -4.038 1.00 12.00 C ATOM 294 OD1 ASN A 18 -28.339 -4.995 -4.359 1.00 12.00 O ATOM 295 ND2 ASN A 18 -27.250 -6.886 -4.382 1.00 12.00 N ATOM 0 H ASN A 18 -24.553 -4.290 -5.545 1.00 12.00 H new ATOM 0 HA ASN A 18 -26.588 -2.940 -3.820 1.00 12.00 H new ATOM 0 HB2 ASN A 18 -25.386 -5.663 -3.150 1.00 12.00 H new ATOM 0 HB3 ASN A 18 -26.573 -4.774 -2.217 1.00 12.00 H new ATOM 0 HD21 ASN A 18 -27.993 -7.331 -4.920 1.00 12.00 H new ATOM 0 HD22 ASN A 18 -26.424 -7.421 -4.113 1.00 12.00 H new ATOM 302 N CYS A 19 -24.382 -1.847 -3.138 1.00 12.00 N ATOM 303 CA CYS A 19 -23.146 -1.253 -2.517 1.00 12.00 C ATOM 304 C CYS A 19 -23.225 -1.259 -0.982 1.00 12.00 C ATOM 305 O CYS A 19 -22.240 -0.968 -0.329 1.00 12.00 O ATOM 306 CB CYS A 19 -22.948 0.194 -2.995 1.00 12.00 C ATOM 307 SG CYS A 19 -23.174 0.292 -4.789 1.00 12.00 S ATOM 0 H CYS A 19 -25.074 -1.168 -3.455 1.00 12.00 H new ATOM 0 HA CYS A 19 -22.303 -1.869 -2.829 1.00 12.00 H new ATOM 0 HB2 CYS A 19 -23.659 0.851 -2.494 1.00 12.00 H new ATOM 0 HB3 CYS A 19 -21.950 0.541 -2.727 1.00 12.00 H new ATOM 312 N ASN A 20 -24.375 -1.564 -0.399 1.00 12.00 N ATOM 313 CA ASN A 20 -24.492 -1.549 1.105 1.00 12.00 C ATOM 314 C ASN A 20 -23.943 -2.845 1.722 1.00 12.00 C ATOM 315 O ASN A 20 -23.145 -2.796 2.646 1.00 12.00 O ATOM 316 CB ASN A 20 -25.961 -1.362 1.519 1.00 12.00 C ATOM 317 CG ASN A 20 -26.846 -2.382 0.798 1.00 12.00 C ATOM 318 OD1 ASN A 20 -27.134 -3.508 1.392 1.00 12.00 O flip ATOM 319 ND2 ASN A 20 -27.281 -2.150 -0.311 1.00 12.00 N flip ATOM 0 H ASN A 20 -25.228 -1.820 -0.896 1.00 12.00 H new ATOM 0 HA ASN A 20 -23.898 -0.714 1.477 1.00 12.00 H new ATOM 0 HB2 ASN A 20 -26.061 -1.481 2.598 1.00 12.00 H new ATOM 0 HB3 ASN A 20 -26.289 -0.351 1.278 1.00 12.00 H new ATOM 0 HD21 ASN A 20 -27.055 -1.270 -0.774 1.00 12.00 H new ATOM 0 HD22 ASN A 20 -27.873 -2.835 -0.780 1.00 12.00 H new ATOM 326 N THR A 21 -24.375 -3.993 1.236 1.00 12.00 N ATOM 327 CA THR A 21 -23.904 -5.296 1.810 1.00 12.00 C ATOM 328 C THR A 21 -22.412 -5.504 1.526 1.00 12.00 C ATOM 329 O THR A 21 -21.772 -6.307 2.187 1.00 12.00 O ATOM 330 CB THR A 21 -24.719 -6.458 1.211 1.00 12.00 C ATOM 331 OG1 THR A 21 -26.072 -6.053 1.046 1.00 12.00 O ATOM 332 CG2 THR A 21 -24.664 -7.662 2.151 1.00 12.00 C ATOM 0 H THR A 21 -25.036 -4.079 0.464 1.00 12.00 H new ATOM 0 HA THR A 21 -24.051 -5.272 2.890 1.00 12.00 H new ATOM 0 HB THR A 21 -24.298 -6.732 0.244 1.00 12.00 H new ATOM 0 HG1 THR A 21 -26.207 -5.181 1.473 1.00 12.00 H new ATOM 0 HG21 THR A 21 -25.241 -8.483 1.725 1.00 12.00 H new ATOM 0 HG22 THR A 21 -23.628 -7.976 2.280 1.00 12.00 H new ATOM 0 HG23 THR A 21 -25.083 -7.387 3.119 1.00 12.00 H new ATOM 340 N ILE A 22 -21.854 -4.801 0.554 1.00 12.00 N ATOM 341 CA ILE A 22 -20.401 -4.972 0.234 1.00 12.00 C ATOM 342 C ILE A 22 -19.542 -4.060 1.124 1.00 12.00 C ATOM 343 O ILE A 22 -18.480 -4.464 1.571 1.00 12.00 O ATOM 344 CB ILE A 22 -20.151 -4.692 -1.256 1.00 12.00 C ATOM 345 CG1 ILE A 22 -20.385 -3.214 -1.584 1.00 12.00 C ATOM 346 CG2 ILE A 22 -21.106 -5.547 -2.092 1.00 12.00 C ATOM 347 CD1 ILE A 22 -19.917 -2.940 -3.015 1.00 12.00 C ATOM 0 H ILE A 22 -22.346 -4.121 -0.025 1.00 12.00 H new ATOM 0 HA ILE A 22 -20.113 -6.003 0.439 1.00 12.00 H new ATOM 0 HB ILE A 22 -19.115 -4.939 -1.487 1.00 12.00 H new ATOM 0 HG12 ILE A 22 -21.442 -2.968 -1.480 1.00 12.00 H new ATOM 0 HG13 ILE A 22 -19.840 -2.582 -0.882 1.00 12.00 H new ATOM 0 HG21 ILE A 22 -20.935 -5.354 -3.151 1.00 12.00 H new ATOM 0 HG22 ILE A 22 -20.928 -6.602 -1.882 1.00 12.00 H new ATOM 0 HG23 ILE A 22 -22.136 -5.295 -1.839 1.00 12.00 H new ATOM 0 HD11 ILE A 22 -20.080 -1.890 -3.256 1.00 12.00 H new ATOM 0 HD12 ILE A 22 -18.855 -3.171 -3.101 1.00 12.00 H new ATOM 0 HD13 ILE A 22 -20.482 -3.564 -3.708 1.00 12.00 H new ATOM 359 N MET A 23 -19.990 -2.843 1.382 1.00 12.00 N ATOM 360 CA MET A 23 -19.198 -1.905 2.246 1.00 12.00 C ATOM 361 C MET A 23 -19.675 -1.987 3.704 1.00 12.00 C ATOM 362 O MET A 23 -19.285 -1.173 4.524 1.00 12.00 O ATOM 363 CB MET A 23 -19.343 -0.463 1.733 1.00 12.00 C ATOM 364 CG MET A 23 -20.808 -0.022 1.784 1.00 12.00 C ATOM 365 SD MET A 23 -21.057 1.119 3.166 1.00 12.00 S ATOM 366 CE MET A 23 -22.307 2.152 2.362 1.00 12.00 C ATOM 0 H MET A 23 -20.869 -2.464 1.030 1.00 12.00 H new ATOM 0 HA MET A 23 -18.149 -2.197 2.201 1.00 12.00 H new ATOM 0 HB2 MET A 23 -18.734 0.208 2.338 1.00 12.00 H new ATOM 0 HB3 MET A 23 -18.972 -0.395 0.710 1.00 12.00 H new ATOM 0 HG2 MET A 23 -21.085 0.461 0.847 1.00 12.00 H new ATOM 0 HG3 MET A 23 -21.455 -0.892 1.897 1.00 12.00 H new ATOM 0 HE1 MET A 23 -22.592 2.965 3.030 1.00 12.00 H new ATOM 0 HE2 MET A 23 -21.899 2.566 1.440 1.00 12.00 H new ATOM 0 HE3 MET A 23 -23.184 1.548 2.131 1.00 12.00 H new ATOM 376 N ASP A 24 -20.501 -2.969 4.036 1.00 12.00 N ATOM 377 CA ASP A 24 -20.992 -3.118 5.450 1.00 12.00 C ATOM 378 C ASP A 24 -19.775 -3.326 6.367 1.00 12.00 C ATOM 379 O ASP A 24 -19.320 -4.443 6.565 1.00 12.00 O ATOM 380 CB ASP A 24 -21.939 -4.332 5.530 1.00 12.00 C ATOM 381 CG ASP A 24 -23.391 -3.931 5.187 1.00 12.00 C ATOM 382 OD1 ASP A 24 -23.673 -2.745 5.074 1.00 12.00 O ATOM 383 OD2 ASP A 24 -24.204 -4.830 5.057 1.00 12.00 O ATOM 0 H ASP A 24 -20.853 -3.671 3.385 1.00 12.00 H new ATOM 0 HA ASP A 24 -21.536 -2.228 5.765 1.00 12.00 H new ATOM 0 HB2 ASP A 24 -21.601 -5.107 4.842 1.00 12.00 H new ATOM 0 HB3 ASP A 24 -21.904 -4.759 6.532 1.00 12.00 H new ATOM 388 N ASN A 25 -19.233 -2.247 6.904 1.00 12.00 N ATOM 389 CA ASN A 25 -18.030 -2.343 7.790 1.00 12.00 C ATOM 390 C ASN A 25 -17.769 -0.986 8.442 1.00 12.00 C ATOM 391 O ASN A 25 -18.166 0.043 7.919 1.00 12.00 O ATOM 392 CB ASN A 25 -16.811 -2.726 6.940 1.00 12.00 C ATOM 393 CG ASN A 25 -15.596 -2.957 7.841 1.00 12.00 C ATOM 394 OD1 ASN A 25 -14.521 -2.462 7.566 1.00 12.00 O ATOM 395 ND2 ASN A 25 -15.717 -3.696 8.910 1.00 12.00 N ATOM 0 H ASN A 25 -19.581 -1.299 6.761 1.00 12.00 H new ATOM 0 HA ASN A 25 -18.203 -3.095 8.560 1.00 12.00 H new ATOM 0 HB2 ASN A 25 -17.026 -3.628 6.367 1.00 12.00 H new ATOM 0 HB3 ASN A 25 -16.596 -1.935 6.221 1.00 12.00 H new ATOM 0 HD21 ASN A 25 -14.910 -3.857 9.513 1.00 12.00 H new ATOM 0 HD22 ASN A 25 -16.619 -4.112 9.143 1.00 12.00 H new ATOM 402 N ASN A 26 -17.086 -0.985 9.566 1.00 12.00 N ATOM 403 CA ASN A 26 -16.762 0.305 10.265 1.00 12.00 C ATOM 404 C ASN A 26 -15.686 1.072 9.476 1.00 12.00 C ATOM 405 O ASN A 26 -15.404 2.220 9.779 1.00 12.00 O ATOM 406 CB ASN A 26 -16.239 0.014 11.674 1.00 12.00 C ATOM 407 CG ASN A 26 -16.079 1.333 12.431 1.00 12.00 C ATOM 408 OD1 ASN A 26 -15.001 1.892 12.479 1.00 12.00 O ATOM 409 ND2 ASN A 26 -17.116 1.859 13.022 1.00 12.00 N ATOM 0 H ASN A 26 -16.738 -1.824 10.031 1.00 12.00 H new ATOM 0 HA ASN A 26 -17.667 0.909 10.328 1.00 12.00 H new ATOM 0 HB2 ASN A 26 -16.930 -0.642 12.203 1.00 12.00 H new ATOM 0 HB3 ASN A 26 -15.283 -0.507 11.620 1.00 12.00 H new ATOM 0 HD21 ASN A 26 -17.023 2.741 13.526 1.00 12.00 H new ATOM 0 HD22 ASN A 26 -18.020 1.388 12.981 1.00 12.00 H new ATOM 416 N ILE A 27 -15.086 0.449 8.472 1.00 12.00 N ATOM 417 CA ILE A 27 -14.029 1.134 7.661 1.00 12.00 C ATOM 418 C ILE A 27 -14.668 1.921 6.500 1.00 12.00 C ATOM 419 O ILE A 27 -13.968 2.404 5.625 1.00 12.00 O ATOM 420 CB ILE A 27 -13.070 0.075 7.100 1.00 12.00 C ATOM 421 CG1 ILE A 27 -12.495 -0.751 8.254 1.00 12.00 C ATOM 422 CG2 ILE A 27 -11.924 0.751 6.346 1.00 12.00 C ATOM 423 CD1 ILE A 27 -11.810 -2.001 7.694 1.00 12.00 C ATOM 0 H ILE A 27 -15.290 -0.508 8.185 1.00 12.00 H new ATOM 0 HA ILE A 27 -13.485 1.834 8.295 1.00 12.00 H new ATOM 0 HB ILE A 27 -13.617 -0.573 6.415 1.00 12.00 H new ATOM 0 HG12 ILE A 27 -11.780 -0.155 8.822 1.00 12.00 H new ATOM 0 HG13 ILE A 27 -13.290 -1.036 8.943 1.00 12.00 H new ATOM 0 HG21 ILE A 27 -11.249 -0.009 5.952 1.00 12.00 H new ATOM 0 HG22 ILE A 27 -12.328 1.340 5.522 1.00 12.00 H new ATOM 0 HG23 ILE A 27 -11.377 1.405 7.025 1.00 12.00 H new ATOM 0 HD11 ILE A 27 -11.400 -2.590 8.515 1.00 12.00 H new ATOM 0 HD12 ILE A 27 -12.537 -2.600 7.146 1.00 12.00 H new ATOM 0 HD13 ILE A 27 -11.004 -1.704 7.023 1.00 12.00 H new ATOM 435 N TYR A 28 -15.986 2.055 6.483 1.00 12.00 N ATOM 436 CA TYR A 28 -16.663 2.808 5.371 1.00 12.00 C ATOM 437 C TYR A 28 -17.874 3.605 5.921 1.00 12.00 C ATOM 438 O TYR A 28 -19.012 3.351 5.546 1.00 12.00 O ATOM 439 CB TYR A 28 -17.129 1.805 4.297 1.00 12.00 C ATOM 440 CG TYR A 28 -15.933 1.302 3.538 1.00 12.00 C ATOM 441 CD1 TYR A 28 -15.195 2.187 2.745 1.00 12.00 C ATOM 442 CD2 TYR A 28 -15.557 -0.044 3.628 1.00 12.00 C ATOM 443 CE1 TYR A 28 -14.081 1.730 2.042 1.00 12.00 C ATOM 444 CE2 TYR A 28 -14.437 -0.500 2.922 1.00 12.00 C ATOM 445 CZ TYR A 28 -13.699 0.388 2.129 1.00 12.00 C ATOM 446 OH TYR A 28 -12.594 -0.061 1.436 1.00 12.00 O ATOM 0 H TYR A 28 -16.615 1.675 7.191 1.00 12.00 H new ATOM 0 HA TYR A 28 -15.960 3.515 4.930 1.00 12.00 H new ATOM 0 HB2 TYR A 28 -17.655 0.972 4.764 1.00 12.00 H new ATOM 0 HB3 TYR A 28 -17.832 2.284 3.616 1.00 12.00 H new ATOM 0 HD1 TYR A 28 -15.488 3.224 2.677 1.00 12.00 H new ATOM 0 HD2 TYR A 28 -16.128 -0.727 4.239 1.00 12.00 H new ATOM 0 HE1 TYR A 28 -13.512 2.414 1.429 1.00 12.00 H new ATOM 0 HE2 TYR A 28 -14.142 -1.537 2.989 1.00 12.00 H new ATOM 0 HH TYR A 28 -11.780 0.286 1.858 1.00 12.00 H new ATOM 456 N ILE A 29 -17.647 4.570 6.812 1.00 12.00 N ATOM 457 CA ILE A 29 -18.796 5.363 7.373 1.00 12.00 C ATOM 458 C ILE A 29 -18.374 6.808 7.640 1.00 12.00 C ATOM 459 O ILE A 29 -17.224 7.092 7.933 1.00 12.00 O ATOM 460 CB ILE A 29 -19.267 4.737 8.692 1.00 12.00 C ATOM 461 CG1 ILE A 29 -19.540 3.240 8.493 1.00 12.00 C ATOM 462 CG2 ILE A 29 -20.555 5.434 9.153 1.00 12.00 C ATOM 463 CD1 ILE A 29 -19.896 2.600 9.837 1.00 12.00 C ATOM 0 H ILE A 29 -16.726 4.832 7.164 1.00 12.00 H new ATOM 0 HA ILE A 29 -19.605 5.352 6.643 1.00 12.00 H new ATOM 0 HB ILE A 29 -18.490 4.861 9.446 1.00 12.00 H new ATOM 0 HG12 ILE A 29 -20.356 3.100 7.784 1.00 12.00 H new ATOM 0 HG13 ILE A 29 -18.662 2.753 8.068 1.00 12.00 H new ATOM 0 HG21 ILE A 29 -20.893 4.992 10.090 1.00 12.00 H new ATOM 0 HG22 ILE A 29 -20.361 6.496 9.302 1.00 12.00 H new ATOM 0 HG23 ILE A 29 -21.328 5.310 8.394 1.00 12.00 H new ATOM 0 HD11 ILE A 29 -20.090 1.537 9.694 1.00 12.00 H new ATOM 0 HD12 ILE A 29 -19.066 2.727 10.532 1.00 12.00 H new ATOM 0 HD13 ILE A 29 -20.786 3.079 10.244 1.00 12.00 H new ATOM 475 N VAL A 30 -19.327 7.706 7.566 1.00 12.00 N ATOM 476 CA VAL A 30 -19.066 9.163 7.838 1.00 12.00 C ATOM 477 C VAL A 30 -19.656 9.491 9.224 1.00 12.00 C ATOM 478 O VAL A 30 -20.347 8.666 9.807 1.00 12.00 O ATOM 479 CB VAL A 30 -19.751 9.991 6.731 1.00 12.00 C ATOM 480 CG1 VAL A 30 -19.493 11.484 6.937 1.00 12.00 C ATOM 481 CG2 VAL A 30 -19.177 9.572 5.376 1.00 12.00 C ATOM 0 H VAL A 30 -20.294 7.490 7.324 1.00 12.00 H new ATOM 0 HA VAL A 30 -18.001 9.396 7.837 1.00 12.00 H new ATOM 0 HB VAL A 30 -20.825 9.811 6.767 1.00 12.00 H new ATOM 0 HG11 VAL A 30 -19.984 12.051 6.146 1.00 12.00 H new ATOM 0 HG12 VAL A 30 -19.890 11.792 7.904 1.00 12.00 H new ATOM 0 HG13 VAL A 30 -18.420 11.675 6.908 1.00 12.00 H new ATOM 0 HG21 VAL A 30 -19.653 10.150 4.584 1.00 12.00 H new ATOM 0 HG22 VAL A 30 -18.103 9.756 5.363 1.00 12.00 H new ATOM 0 HG23 VAL A 30 -19.365 8.511 5.213 1.00 12.00 H new ATOM 491 N GLY A 31 -19.383 10.666 9.769 1.00 12.00 N ATOM 492 CA GLY A 31 -19.922 11.018 11.126 1.00 12.00 C ATOM 493 C GLY A 31 -21.286 11.694 10.976 1.00 12.00 C ATOM 494 O GLY A 31 -21.521 12.771 11.498 1.00 12.00 O ATOM 0 H GLY A 31 -18.813 11.389 9.331 1.00 12.00 H new ATOM 0 HA2 GLY A 31 -20.015 10.119 11.736 1.00 12.00 H new ATOM 0 HA3 GLY A 31 -19.230 11.683 11.642 1.00 12.00 H new ATOM 498 N GLY A 32 -22.181 11.040 10.270 1.00 12.00 N ATOM 499 CA GLY A 32 -23.556 11.574 10.053 1.00 12.00 C ATOM 500 C GLY A 32 -24.458 10.430 9.577 1.00 12.00 C ATOM 501 O GLY A 32 -25.454 10.116 10.206 1.00 12.00 O ATOM 0 H GLY A 32 -22.006 10.138 9.827 1.00 12.00 H new ATOM 0 HA2 GLY A 32 -23.945 12.003 10.977 1.00 12.00 H new ATOM 0 HA3 GLY A 32 -23.538 12.374 9.313 1.00 12.00 H new ATOM 505 N GLN A 33 -24.100 9.809 8.469 1.00 12.00 N ATOM 506 CA GLN A 33 -24.909 8.673 7.913 1.00 12.00 C ATOM 507 C GLN A 33 -24.062 7.936 6.873 1.00 12.00 C ATOM 508 O GLN A 33 -23.603 6.828 7.100 1.00 12.00 O ATOM 509 CB GLN A 33 -26.167 9.231 7.239 1.00 12.00 C ATOM 510 CG GLN A 33 -27.301 9.344 8.263 1.00 12.00 C ATOM 511 CD GLN A 33 -28.645 9.369 7.532 1.00 12.00 C ATOM 512 OE1 GLN A 33 -29.593 8.738 7.957 1.00 12.00 O ATOM 513 NE2 GLN A 33 -28.768 10.080 6.443 1.00 12.00 N ATOM 0 H GLN A 33 -23.272 10.046 7.923 1.00 12.00 H new ATOM 0 HA GLN A 33 -25.199 7.991 8.712 1.00 12.00 H new ATOM 0 HB2 GLN A 33 -25.956 10.210 6.808 1.00 12.00 H new ATOM 0 HB3 GLN A 33 -26.470 8.580 6.419 1.00 12.00 H new ATOM 0 HG2 GLN A 33 -27.266 8.502 8.955 1.00 12.00 H new ATOM 0 HG3 GLN A 33 -27.181 10.250 8.857 1.00 12.00 H new ATOM 0 HE21 GLN A 33 -27.972 10.609 6.087 1.00 12.00 H new ATOM 0 HE22 GLN A 33 -29.660 10.106 5.949 1.00 12.00 H new ATOM 522 N CYS A 34 -23.853 8.570 5.739 1.00 12.00 N ATOM 523 CA CYS A 34 -23.031 7.974 4.641 1.00 12.00 C ATOM 524 C CYS A 34 -22.142 9.070 4.040 1.00 12.00 C ATOM 525 O CYS A 34 -22.002 10.140 4.613 1.00 12.00 O ATOM 526 CB CYS A 34 -23.953 7.417 3.552 1.00 12.00 C ATOM 527 SG CYS A 34 -25.133 6.257 4.285 1.00 12.00 S ATOM 0 H CYS A 34 -24.228 9.495 5.528 1.00 12.00 H new ATOM 0 HA CYS A 34 -22.415 7.167 5.038 1.00 12.00 H new ATOM 0 HB2 CYS A 34 -24.486 8.232 3.062 1.00 12.00 H new ATOM 0 HB3 CYS A 34 -23.364 6.915 2.785 1.00 12.00 H new ATOM 532 N LYS A 35 -21.555 8.815 2.888 1.00 12.00 N ATOM 533 CA LYS A 35 -20.681 9.839 2.230 1.00 12.00 C ATOM 534 C LYS A 35 -21.226 10.150 0.834 1.00 12.00 C ATOM 535 O LYS A 35 -22.160 9.517 0.370 1.00 12.00 O ATOM 536 CB LYS A 35 -19.246 9.312 2.117 1.00 12.00 C ATOM 537 CG LYS A 35 -18.250 10.462 2.347 1.00 12.00 C ATOM 538 CD LYS A 35 -17.357 10.637 1.113 1.00 12.00 C ATOM 539 CE LYS A 35 -16.070 11.363 1.513 1.00 12.00 C ATOM 540 NZ LYS A 35 -16.301 12.836 1.508 1.00 12.00 N ATOM 0 H LYS A 35 -21.646 7.937 2.376 1.00 12.00 H new ATOM 0 HA LYS A 35 -20.677 10.747 2.833 1.00 12.00 H new ATOM 0 HB2 LYS A 35 -19.080 8.522 2.850 1.00 12.00 H new ATOM 0 HB3 LYS A 35 -19.087 8.872 1.133 1.00 12.00 H new ATOM 0 HG2 LYS A 35 -18.790 11.387 2.549 1.00 12.00 H new ATOM 0 HG3 LYS A 35 -17.637 10.253 3.223 1.00 12.00 H new ATOM 0 HD2 LYS A 35 -17.120 9.664 0.682 1.00 12.00 H new ATOM 0 HD3 LYS A 35 -17.885 11.205 0.347 1.00 12.00 H new ATOM 0 HE2 LYS A 35 -15.751 11.039 2.504 1.00 12.00 H new ATOM 0 HE3 LYS A 35 -15.267 11.109 0.821 1.00 12.00 H new ATOM 0 HZ1 LYS A 35 -15.425 13.326 1.780 1.00 12.00 H new ATOM 0 HZ2 LYS A 35 -16.586 13.140 0.555 1.00 12.00 H new ATOM 0 HZ3 LYS A 35 -17.054 13.072 2.186 1.00 12.00 H new ATOM 554 N ARG A 36 -20.643 11.127 0.173 1.00 12.00 N ATOM 555 CA ARG A 36 -21.105 11.514 -1.200 1.00 12.00 C ATOM 556 C ARG A 36 -20.552 10.537 -2.243 1.00 12.00 C ATOM 557 O ARG A 36 -21.089 10.440 -3.335 1.00 12.00 O ATOM 558 CB ARG A 36 -20.615 12.929 -1.520 1.00 12.00 C ATOM 559 CG ARG A 36 -19.099 13.003 -1.324 1.00 12.00 C ATOM 560 CD ARG A 36 -18.522 14.137 -2.176 1.00 12.00 C ATOM 561 NE ARG A 36 -17.470 14.853 -1.403 1.00 12.00 N ATOM 562 CZ ARG A 36 -16.319 15.120 -1.957 1.00 12.00 C ATOM 563 NH1 ARG A 36 -16.272 15.599 -3.171 1.00 12.00 N ATOM 564 NH2 ARG A 36 -15.214 14.907 -1.297 1.00 12.00 N ATOM 0 H ARG A 36 -19.861 11.676 0.530 1.00 12.00 H new ATOM 0 HA ARG A 36 -22.194 11.483 -1.229 1.00 12.00 H new ATOM 0 HB2 ARG A 36 -20.872 13.191 -2.546 1.00 12.00 H new ATOM 0 HB3 ARG A 36 -21.111 13.652 -0.873 1.00 12.00 H new ATOM 0 HG2 ARG A 36 -18.867 13.171 -0.272 1.00 12.00 H new ATOM 0 HG3 ARG A 36 -18.640 12.055 -1.604 1.00 12.00 H new ATOM 0 HD2 ARG A 36 -18.101 13.736 -3.098 1.00 12.00 H new ATOM 0 HD3 ARG A 36 -19.313 14.830 -2.462 1.00 12.00 H new ATOM 0 HE ARG A 36 -17.649 15.135 -0.439 1.00 12.00 H new ATOM 0 HH11 ARG A 36 -17.136 15.765 -3.688 1.00 12.00 H new ATOM 0 HH12 ARG A 36 -15.372 15.807 -3.603 1.00 12.00 H new ATOM 0 HH21 ARG A 36 -15.250 14.532 -0.349 1.00 12.00 H new ATOM 0 HH22 ARG A 36 -14.314 15.115 -1.729 1.00 12.00 H new ATOM 578 N VAL A 37 -19.485 9.824 -1.924 1.00 12.00 N ATOM 579 CA VAL A 37 -18.895 8.858 -2.915 1.00 12.00 C ATOM 580 C VAL A 37 -18.188 7.703 -2.197 1.00 12.00 C ATOM 581 O VAL A 37 -17.111 7.875 -1.649 1.00 12.00 O ATOM 582 CB VAL A 37 -17.872 9.584 -3.795 1.00 12.00 C ATOM 583 CG1 VAL A 37 -17.429 8.660 -4.932 1.00 12.00 C ATOM 584 CG2 VAL A 37 -18.499 10.849 -4.387 1.00 12.00 C ATOM 0 H VAL A 37 -19.003 9.871 -1.026 1.00 12.00 H new ATOM 0 HA VAL A 37 -19.706 8.459 -3.524 1.00 12.00 H new ATOM 0 HB VAL A 37 -17.010 9.859 -3.187 1.00 12.00 H new ATOM 0 HG11 VAL A 37 -16.701 9.176 -5.558 1.00 12.00 H new ATOM 0 HG12 VAL A 37 -16.975 7.761 -4.515 1.00 12.00 H new ATOM 0 HG13 VAL A 37 -18.294 8.384 -5.534 1.00 12.00 H new ATOM 0 HG21 VAL A 37 -17.766 11.360 -5.011 1.00 12.00 H new ATOM 0 HG22 VAL A 37 -19.365 10.578 -4.991 1.00 12.00 H new ATOM 0 HG23 VAL A 37 -18.813 11.511 -3.580 1.00 12.00 H new ATOM 594 N ASN A 38 -18.768 6.521 -2.255 1.00 12.00 N ATOM 595 CA ASN A 38 -18.124 5.315 -1.640 1.00 12.00 C ATOM 596 C ASN A 38 -17.345 4.627 -2.761 1.00 12.00 C ATOM 597 O ASN A 38 -17.852 3.748 -3.449 1.00 12.00 O ATOM 598 CB ASN A 38 -19.179 4.360 -1.045 1.00 12.00 C ATOM 599 CG ASN A 38 -20.124 5.112 -0.091 1.00 12.00 C ATOM 600 OD1 ASN A 38 -21.234 4.674 0.139 1.00 12.00 O ATOM 601 ND2 ASN A 38 -19.735 6.217 0.494 1.00 12.00 N ATOM 0 H ASN A 38 -19.665 6.343 -2.706 1.00 12.00 H new ATOM 0 HA ASN A 38 -17.469 5.602 -0.818 1.00 12.00 H new ATOM 0 HB2 ASN A 38 -19.756 3.902 -1.849 1.00 12.00 H new ATOM 0 HB3 ASN A 38 -18.682 3.551 -0.509 1.00 12.00 H new ATOM 0 HD21 ASN A 38 -20.362 6.702 1.136 1.00 12.00 H new ATOM 0 HD22 ASN A 38 -18.805 6.593 0.308 1.00 12.00 H new ATOM 608 N THR A 39 -16.134 5.083 -2.983 1.00 12.00 N ATOM 609 CA THR A 39 -15.295 4.545 -4.093 1.00 12.00 C ATOM 610 C THR A 39 -14.648 3.209 -3.721 1.00 12.00 C ATOM 611 O THR A 39 -13.820 3.129 -2.829 1.00 12.00 O ATOM 612 CB THR A 39 -14.197 5.559 -4.422 1.00 12.00 C ATOM 613 OG1 THR A 39 -14.784 6.839 -4.605 1.00 12.00 O ATOM 614 CG2 THR A 39 -13.464 5.144 -5.701 1.00 12.00 C ATOM 0 H THR A 39 -15.688 5.816 -2.431 1.00 12.00 H new ATOM 0 HA THR A 39 -15.940 4.377 -4.955 1.00 12.00 H new ATOM 0 HB THR A 39 -13.482 5.594 -3.600 1.00 12.00 H new ATOM 0 HG1 THR A 39 -15.290 6.850 -5.444 1.00 12.00 H new ATOM 0 HG21 THR A 39 -12.685 5.872 -5.926 1.00 12.00 H new ATOM 0 HG22 THR A 39 -13.013 4.162 -5.559 1.00 12.00 H new ATOM 0 HG23 THR A 39 -14.172 5.102 -6.529 1.00 12.00 H new ATOM 622 N PHE A 40 -15.005 2.179 -4.447 1.00 12.00 N ATOM 623 CA PHE A 40 -14.423 0.817 -4.236 1.00 12.00 C ATOM 624 C PHE A 40 -13.372 0.596 -5.338 1.00 12.00 C ATOM 625 O PHE A 40 -13.396 1.295 -6.341 1.00 12.00 O ATOM 626 CB PHE A 40 -15.555 -0.211 -4.357 1.00 12.00 C ATOM 627 CG PHE A 40 -16.652 0.131 -3.371 1.00 12.00 C ATOM 628 CD1 PHE A 40 -16.343 0.370 -2.024 1.00 12.00 C ATOM 629 CD2 PHE A 40 -17.980 0.205 -3.805 1.00 12.00 C ATOM 630 CE1 PHE A 40 -17.360 0.683 -1.116 1.00 12.00 C ATOM 631 CE2 PHE A 40 -18.997 0.517 -2.896 1.00 12.00 C ATOM 632 CZ PHE A 40 -18.688 0.755 -1.552 1.00 12.00 C ATOM 0 H PHE A 40 -15.694 2.227 -5.197 1.00 12.00 H new ATOM 0 HA PHE A 40 -13.958 0.716 -3.255 1.00 12.00 H new ATOM 0 HB2 PHE A 40 -15.951 -0.214 -5.372 1.00 12.00 H new ATOM 0 HB3 PHE A 40 -15.174 -1.213 -4.161 1.00 12.00 H new ATOM 0 HD1 PHE A 40 -15.318 0.312 -1.687 1.00 12.00 H new ATOM 0 HD2 PHE A 40 -18.220 0.021 -4.842 1.00 12.00 H new ATOM 0 HE1 PHE A 40 -17.121 0.869 -0.079 1.00 12.00 H new ATOM 0 HE2 PHE A 40 -20.022 0.574 -3.232 1.00 12.00 H new ATOM 0 HZ PHE A 40 -19.474 0.994 -0.851 1.00 12.00 H new ATOM 642 N ILE A 41 -12.439 -0.333 -5.175 1.00 12.00 N ATOM 643 CA ILE A 41 -11.406 -0.530 -6.243 1.00 12.00 C ATOM 644 C ILE A 41 -11.362 -2.004 -6.665 1.00 12.00 C ATOM 645 O ILE A 41 -11.234 -2.897 -5.844 1.00 12.00 O ATOM 646 CB ILE A 41 -10.043 -0.044 -5.720 1.00 12.00 C ATOM 647 CG1 ILE A 41 -8.936 -0.355 -6.739 1.00 12.00 C ATOM 648 CG2 ILE A 41 -9.720 -0.714 -4.387 1.00 12.00 C ATOM 649 CD1 ILE A 41 -7.944 0.811 -6.784 1.00 12.00 C ATOM 0 H ILE A 41 -12.356 -0.946 -4.364 1.00 12.00 H new ATOM 0 HA ILE A 41 -11.662 0.054 -7.127 1.00 12.00 H new ATOM 0 HB ILE A 41 -10.095 1.035 -5.574 1.00 12.00 H new ATOM 0 HG12 ILE A 41 -8.421 -1.275 -6.463 1.00 12.00 H new ATOM 0 HG13 ILE A 41 -9.370 -0.516 -7.726 1.00 12.00 H new ATOM 0 HG21 ILE A 41 -8.753 -0.362 -4.028 1.00 12.00 H new ATOM 0 HG22 ILE A 41 -10.491 -0.464 -3.658 1.00 12.00 H new ATOM 0 HG23 ILE A 41 -9.685 -1.795 -4.522 1.00 12.00 H new ATOM 0 HD11 ILE A 41 -7.158 0.592 -7.507 1.00 12.00 H new ATOM 0 HD12 ILE A 41 -8.466 1.721 -7.080 1.00 12.00 H new ATOM 0 HD13 ILE A 41 -7.502 0.951 -5.798 1.00 12.00 H new ATOM 661 N ILE A 42 -11.467 -2.242 -7.958 1.00 12.00 N ATOM 662 CA ILE A 42 -11.430 -3.640 -8.496 1.00 12.00 C ATOM 663 C ILE A 42 -10.124 -3.815 -9.271 1.00 12.00 C ATOM 664 O ILE A 42 -9.998 -3.380 -10.402 1.00 12.00 O ATOM 665 CB ILE A 42 -12.658 -3.903 -9.401 1.00 12.00 C ATOM 666 CG1 ILE A 42 -12.516 -5.266 -10.099 1.00 12.00 C ATOM 667 CG2 ILE A 42 -12.806 -2.807 -10.462 1.00 12.00 C ATOM 668 CD1 ILE A 42 -13.896 -5.897 -10.286 1.00 12.00 C ATOM 0 H ILE A 42 -11.578 -1.517 -8.667 1.00 12.00 H new ATOM 0 HA ILE A 42 -11.470 -4.362 -7.680 1.00 12.00 H new ATOM 0 HB ILE A 42 -13.546 -3.902 -8.769 1.00 12.00 H new ATOM 0 HG12 ILE A 42 -12.029 -5.141 -11.066 1.00 12.00 H new ATOM 0 HG13 ILE A 42 -11.882 -5.925 -9.506 1.00 12.00 H new ATOM 0 HG21 ILE A 42 -13.676 -3.017 -11.083 1.00 12.00 H new ATOM 0 HG22 ILE A 42 -12.934 -1.842 -9.972 1.00 12.00 H new ATOM 0 HG23 ILE A 42 -11.913 -2.781 -11.086 1.00 12.00 H new ATOM 0 HD11 ILE A 42 -13.791 -6.862 -10.781 1.00 12.00 H new ATOM 0 HD12 ILE A 42 -14.367 -6.037 -9.313 1.00 12.00 H new ATOM 0 HD13 ILE A 42 -14.516 -5.242 -10.898 1.00 12.00 H new ATOM 680 N SER A 43 -9.156 -4.447 -8.646 1.00 12.00 N ATOM 681 CA SER A 43 -7.821 -4.673 -9.294 1.00 12.00 C ATOM 682 C SER A 43 -6.871 -5.293 -8.269 1.00 12.00 C ATOM 683 O SER A 43 -7.035 -5.107 -7.075 1.00 12.00 O ATOM 684 CB SER A 43 -7.237 -3.334 -9.776 1.00 12.00 C ATOM 685 OG SER A 43 -5.918 -3.539 -10.269 1.00 12.00 O ATOM 0 H SER A 43 -9.236 -4.821 -7.700 1.00 12.00 H new ATOM 0 HA SER A 43 -7.942 -5.339 -10.148 1.00 12.00 H new ATOM 0 HB2 SER A 43 -7.867 -2.911 -10.559 1.00 12.00 H new ATOM 0 HB3 SER A 43 -7.222 -2.616 -8.956 1.00 12.00 H new ATOM 0 HG SER A 43 -5.727 -2.885 -10.973 1.00 12.00 H new ATOM 691 N SER A 44 -5.875 -6.025 -8.734 1.00 12.00 N ATOM 692 CA SER A 44 -4.884 -6.669 -7.793 1.00 12.00 C ATOM 693 C SER A 44 -4.330 -5.601 -6.827 1.00 12.00 C ATOM 694 O SER A 44 -3.854 -4.555 -7.242 1.00 12.00 O ATOM 695 CB SER A 44 -3.733 -7.329 -8.584 1.00 12.00 C ATOM 696 OG SER A 44 -2.691 -7.707 -7.688 1.00 12.00 O ATOM 0 H SER A 44 -5.705 -6.205 -9.724 1.00 12.00 H new ATOM 0 HA SER A 44 -5.389 -7.447 -7.220 1.00 12.00 H new ATOM 0 HB2 SER A 44 -4.101 -8.204 -9.119 1.00 12.00 H new ATOM 0 HB3 SER A 44 -3.349 -6.636 -9.333 1.00 12.00 H new ATOM 0 HG SER A 44 -1.963 -8.127 -8.192 1.00 12.00 H new ATOM 702 N ALA A 45 -4.421 -5.863 -5.543 1.00 12.00 N ATOM 703 CA ALA A 45 -3.940 -4.886 -4.512 1.00 12.00 C ATOM 704 C ALA A 45 -2.445 -4.618 -4.680 1.00 12.00 C ATOM 705 O ALA A 45 -1.986 -3.506 -4.475 1.00 12.00 O ATOM 706 CB ALA A 45 -4.183 -5.460 -3.111 1.00 12.00 C ATOM 0 H ALA A 45 -4.813 -6.724 -5.161 1.00 12.00 H new ATOM 0 HA ALA A 45 -4.488 -3.952 -4.640 1.00 12.00 H new ATOM 0 HB1 ALA A 45 -3.833 -4.750 -2.361 1.00 12.00 H new ATOM 0 HB2 ALA A 45 -5.249 -5.640 -2.971 1.00 12.00 H new ATOM 0 HB3 ALA A 45 -3.640 -6.399 -3.003 1.00 12.00 H new ATOM 712 N THR A 46 -1.690 -5.638 -5.014 1.00 12.00 N ATOM 713 CA THR A 46 -0.208 -5.481 -5.159 1.00 12.00 C ATOM 714 C THR A 46 0.163 -4.782 -6.474 1.00 12.00 C ATOM 715 O THR A 46 1.211 -4.162 -6.551 1.00 12.00 O ATOM 716 CB THR A 46 0.456 -6.852 -5.089 1.00 12.00 C ATOM 717 OG1 THR A 46 1.862 -6.697 -5.235 1.00 12.00 O ATOM 718 CG2 THR A 46 -0.082 -7.758 -6.205 1.00 12.00 C ATOM 0 H THR A 46 -2.040 -6.579 -5.194 1.00 12.00 H new ATOM 0 HA THR A 46 0.149 -4.854 -4.342 1.00 12.00 H new ATOM 0 HB THR A 46 0.233 -7.311 -4.126 1.00 12.00 H new ATOM 0 HG1 THR A 46 2.294 -7.575 -5.189 1.00 12.00 H new ATOM 0 HG21 THR A 46 0.399 -8.734 -6.145 1.00 12.00 H new ATOM 0 HG22 THR A 46 -1.159 -7.877 -6.090 1.00 12.00 H new ATOM 0 HG23 THR A 46 0.131 -7.307 -7.174 1.00 12.00 H new ATOM 726 N THR A 47 -0.678 -4.851 -7.496 1.00 12.00 N ATOM 727 CA THR A 47 -0.346 -4.151 -8.787 1.00 12.00 C ATOM 728 C THR A 47 -0.353 -2.658 -8.498 1.00 12.00 C ATOM 729 O THR A 47 0.516 -1.921 -8.947 1.00 12.00 O ATOM 730 CB THR A 47 -1.359 -4.486 -9.889 1.00 12.00 C ATOM 731 OG1 THR A 47 -2.668 -4.514 -9.351 1.00 12.00 O ATOM 732 CG2 THR A 47 -1.020 -5.847 -10.503 1.00 12.00 C ATOM 0 H THR A 47 -1.565 -5.355 -7.489 1.00 12.00 H new ATOM 0 HA THR A 47 0.628 -4.479 -9.149 1.00 12.00 H new ATOM 0 HB THR A 47 -1.311 -3.720 -10.663 1.00 12.00 H new ATOM 0 HG1 THR A 47 -2.651 -4.177 -8.431 1.00 12.00 H new ATOM 0 HG21 THR A 47 -1.741 -6.083 -11.286 1.00 12.00 H new ATOM 0 HG22 THR A 47 -0.018 -5.814 -10.931 1.00 12.00 H new ATOM 0 HG23 THR A 47 -1.059 -6.615 -9.730 1.00 12.00 H new ATOM 740 N VAL A 48 -1.307 -2.226 -7.700 1.00 12.00 N ATOM 741 CA VAL A 48 -1.370 -0.789 -7.303 1.00 12.00 C ATOM 742 C VAL A 48 -0.162 -0.527 -6.393 1.00 12.00 C ATOM 743 O VAL A 48 0.496 0.501 -6.480 1.00 12.00 O ATOM 744 CB VAL A 48 -2.669 -0.506 -6.534 1.00 12.00 C ATOM 745 CG1 VAL A 48 -2.719 0.973 -6.144 1.00 12.00 C ATOM 746 CG2 VAL A 48 -3.875 -0.829 -7.422 1.00 12.00 C ATOM 0 H VAL A 48 -2.044 -2.813 -7.309 1.00 12.00 H new ATOM 0 HA VAL A 48 -1.352 -0.144 -8.181 1.00 12.00 H new ATOM 0 HB VAL A 48 -2.697 -1.126 -5.638 1.00 12.00 H new ATOM 0 HG11 VAL A 48 -3.641 1.174 -5.598 1.00 12.00 H new ATOM 0 HG12 VAL A 48 -1.864 1.212 -5.512 1.00 12.00 H new ATOM 0 HG13 VAL A 48 -2.688 1.588 -7.044 1.00 12.00 H new ATOM 0 HG21 VAL A 48 -4.795 -0.627 -6.874 1.00 12.00 H new ATOM 0 HG22 VAL A 48 -3.843 -0.209 -8.318 1.00 12.00 H new ATOM 0 HG23 VAL A 48 -3.846 -1.881 -7.707 1.00 12.00 H new ATOM 756 N LYS A 49 0.131 -1.484 -5.532 1.00 12.00 N ATOM 757 CA LYS A 49 1.293 -1.372 -4.598 1.00 12.00 C ATOM 758 C LYS A 49 2.585 -1.218 -5.409 1.00 12.00 C ATOM 759 O LYS A 49 3.577 -0.715 -4.907 1.00 12.00 O ATOM 760 CB LYS A 49 1.377 -2.643 -3.737 1.00 12.00 C ATOM 761 CG LYS A 49 2.468 -2.485 -2.674 1.00 12.00 C ATOM 762 CD LYS A 49 2.899 -3.868 -2.170 1.00 12.00 C ATOM 763 CE LYS A 49 4.201 -4.291 -2.858 1.00 12.00 C ATOM 764 NZ LYS A 49 5.365 -3.774 -2.084 1.00 12.00 N ATOM 0 H LYS A 49 -0.400 -2.350 -5.441 1.00 12.00 H new ATOM 0 HA LYS A 49 1.163 -0.503 -3.954 1.00 12.00 H new ATOM 0 HB2 LYS A 49 0.416 -2.832 -3.258 1.00 12.00 H new ATOM 0 HB3 LYS A 49 1.594 -3.505 -4.367 1.00 12.00 H new ATOM 0 HG2 LYS A 49 3.324 -1.956 -3.093 1.00 12.00 H new ATOM 0 HG3 LYS A 49 2.097 -1.884 -1.844 1.00 12.00 H new ATOM 0 HD2 LYS A 49 3.040 -3.843 -1.089 1.00 12.00 H new ATOM 0 HD3 LYS A 49 2.116 -4.599 -2.373 1.00 12.00 H new ATOM 0 HE2 LYS A 49 4.251 -5.378 -2.928 1.00 12.00 H new ATOM 0 HE3 LYS A 49 4.228 -3.905 -3.877 1.00 12.00 H new ATOM 0 HZ1 LYS A 49 6.248 -4.062 -2.552 1.00 12.00 H new ATOM 0 HZ2 LYS A 49 5.319 -2.736 -2.040 1.00 12.00 H new ATOM 0 HZ3 LYS A 49 5.341 -4.163 -1.120 1.00 12.00 H new ATOM 778 N ALA A 50 2.579 -1.653 -6.662 1.00 12.00 N ATOM 779 CA ALA A 50 3.800 -1.547 -7.516 1.00 12.00 C ATOM 780 C ALA A 50 3.953 -0.107 -8.023 1.00 12.00 C ATOM 781 O ALA A 50 5.058 0.411 -8.068 1.00 12.00 O ATOM 782 CB ALA A 50 3.695 -2.526 -8.696 1.00 12.00 C ATOM 0 H ALA A 50 1.772 -2.076 -7.120 1.00 12.00 H new ATOM 0 HA ALA A 50 4.680 -1.805 -6.927 1.00 12.00 H new ATOM 0 HB1 ALA A 50 4.588 -2.445 -9.316 1.00 12.00 H new ATOM 0 HB2 ALA A 50 3.607 -3.544 -8.317 1.00 12.00 H new ATOM 0 HB3 ALA A 50 2.816 -2.284 -9.293 1.00 12.00 H new ATOM 788 N ILE A 51 2.860 0.546 -8.394 1.00 12.00 N ATOM 789 CA ILE A 51 2.951 1.961 -8.891 1.00 12.00 C ATOM 790 C ILE A 51 3.393 2.900 -7.757 1.00 12.00 C ATOM 791 O ILE A 51 3.845 4.005 -8.021 1.00 12.00 O ATOM 792 CB ILE A 51 1.590 2.410 -9.439 1.00 12.00 C ATOM 793 CG1 ILE A 51 1.158 1.462 -10.565 1.00 12.00 C ATOM 794 CG2 ILE A 51 1.691 3.841 -9.985 1.00 12.00 C ATOM 795 CD1 ILE A 51 2.178 1.489 -11.711 1.00 12.00 C ATOM 0 H ILE A 51 1.917 0.157 -8.372 1.00 12.00 H new ATOM 0 HA ILE A 51 3.692 2.004 -9.689 1.00 12.00 H new ATOM 0 HB ILE A 51 0.854 2.386 -8.636 1.00 12.00 H new ATOM 0 HG12 ILE A 51 1.064 0.447 -10.178 1.00 12.00 H new ATOM 0 HG13 ILE A 51 0.176 1.754 -10.937 1.00 12.00 H new ATOM 0 HG21 ILE A 51 0.721 4.152 -10.372 1.00 12.00 H new ATOM 0 HG22 ILE A 51 1.995 4.515 -9.184 1.00 12.00 H new ATOM 0 HG23 ILE A 51 2.429 3.873 -10.787 1.00 12.00 H new ATOM 0 HD11 ILE A 51 1.856 0.811 -12.501 1.00 12.00 H new ATOM 0 HD12 ILE A 51 2.251 2.501 -12.109 1.00 12.00 H new ATOM 0 HD13 ILE A 51 3.153 1.174 -11.338 1.00 12.00 H new ATOM 807 N CYS A 52 3.275 2.477 -6.510 1.00 12.00 N ATOM 808 CA CYS A 52 3.699 3.348 -5.368 1.00 12.00 C ATOM 809 C CYS A 52 5.099 2.926 -4.889 1.00 12.00 C ATOM 810 O CYS A 52 5.481 3.198 -3.761 1.00 12.00 O ATOM 811 CB CYS A 52 2.688 3.231 -4.216 1.00 12.00 C ATOM 812 SG CYS A 52 2.139 4.884 -3.713 1.00 12.00 S ATOM 0 H CYS A 52 2.903 1.566 -6.241 1.00 12.00 H new ATOM 0 HA CYS A 52 3.733 4.386 -5.700 1.00 12.00 H new ATOM 0 HB2 CYS A 52 1.832 2.633 -4.530 1.00 12.00 H new ATOM 0 HB3 CYS A 52 3.144 2.716 -3.370 1.00 12.00 H new ATOM 817 N THR A 53 5.865 2.280 -5.749 1.00 12.00 N ATOM 818 CA THR A 53 7.252 1.844 -5.374 1.00 12.00 C ATOM 819 C THR A 53 8.226 2.982 -5.682 1.00 12.00 C ATOM 820 O THR A 53 8.474 3.284 -6.838 1.00 12.00 O ATOM 821 CB THR A 53 7.646 0.607 -6.190 1.00 12.00 C ATOM 822 OG1 THR A 53 6.613 -0.365 -6.101 1.00 12.00 O ATOM 823 CG2 THR A 53 8.952 0.019 -5.641 1.00 12.00 C ATOM 0 H THR A 53 5.584 2.037 -6.699 1.00 12.00 H new ATOM 0 HA THR A 53 7.284 1.598 -4.313 1.00 12.00 H new ATOM 0 HB THR A 53 7.791 0.892 -7.232 1.00 12.00 H new ATOM 0 HG1 THR A 53 6.126 -0.404 -6.951 1.00 12.00 H new ATOM 0 HG21 THR A 53 9.229 -0.860 -6.224 1.00 12.00 H new ATOM 0 HG22 THR A 53 9.744 0.764 -5.711 1.00 12.00 H new ATOM 0 HG23 THR A 53 8.813 -0.266 -4.598 1.00 12.00 H new ATOM 831 N GLY A 54 8.771 3.615 -4.660 1.00 12.00 N ATOM 832 CA GLY A 54 9.727 4.747 -4.890 1.00 12.00 C ATOM 833 C GLY A 54 10.590 4.986 -3.647 1.00 12.00 C ATOM 834 O GLY A 54 11.805 4.881 -3.710 1.00 12.00 O ATOM 0 H GLY A 54 8.593 3.394 -3.680 1.00 12.00 H new ATOM 0 HA2 GLY A 54 10.365 4.523 -5.745 1.00 12.00 H new ATOM 0 HA3 GLY A 54 9.173 5.654 -5.135 1.00 12.00 H new ATOM 838 N VAL A 55 9.975 5.327 -2.528 1.00 12.00 N ATOM 839 CA VAL A 55 10.753 5.599 -1.280 1.00 12.00 C ATOM 840 C VAL A 55 9.803 5.496 -0.057 1.00 12.00 C ATOM 841 O VAL A 55 8.696 4.999 -0.185 1.00 12.00 O ATOM 842 CB VAL A 55 11.415 6.995 -1.436 1.00 12.00 C ATOM 843 CG1 VAL A 55 10.437 8.131 -1.109 1.00 12.00 C ATOM 844 CG2 VAL A 55 12.653 7.098 -0.534 1.00 12.00 C ATOM 0 H VAL A 55 8.964 5.427 -2.433 1.00 12.00 H new ATOM 0 HA VAL A 55 11.545 4.869 -1.115 1.00 12.00 H new ATOM 0 HB VAL A 55 11.713 7.101 -2.479 1.00 12.00 H new ATOM 0 HG11 VAL A 55 10.940 9.090 -1.231 1.00 12.00 H new ATOM 0 HG12 VAL A 55 9.583 8.081 -1.784 1.00 12.00 H new ATOM 0 HG13 VAL A 55 10.093 8.030 -0.080 1.00 12.00 H new ATOM 0 HG21 VAL A 55 13.108 8.081 -0.652 1.00 12.00 H new ATOM 0 HG22 VAL A 55 12.358 6.957 0.506 1.00 12.00 H new ATOM 0 HG23 VAL A 55 13.373 6.329 -0.814 1.00 12.00 H new ATOM 854 N ILE A 56 10.233 5.932 1.121 1.00 12.00 N ATOM 855 CA ILE A 56 9.365 5.834 2.354 1.00 12.00 C ATOM 856 C ILE A 56 8.462 7.085 2.500 1.00 12.00 C ATOM 857 O ILE A 56 8.063 7.439 3.595 1.00 12.00 O ATOM 858 CB ILE A 56 10.283 5.682 3.586 1.00 12.00 C ATOM 859 CG1 ILE A 56 9.439 5.413 4.836 1.00 12.00 C ATOM 860 CG2 ILE A 56 11.110 6.956 3.801 1.00 12.00 C ATOM 861 CD1 ILE A 56 10.295 4.708 5.889 1.00 12.00 C ATOM 0 H ILE A 56 11.149 6.351 1.278 1.00 12.00 H new ATOM 0 HA ILE A 56 8.709 4.968 2.269 1.00 12.00 H new ATOM 0 HB ILE A 56 10.958 4.844 3.410 1.00 12.00 H new ATOM 0 HG12 ILE A 56 9.052 6.351 5.235 1.00 12.00 H new ATOM 0 HG13 ILE A 56 8.578 4.796 4.580 1.00 12.00 H new ATOM 0 HG21 ILE A 56 11.751 6.831 4.674 1.00 12.00 H new ATOM 0 HG22 ILE A 56 11.726 7.142 2.922 1.00 12.00 H new ATOM 0 HG23 ILE A 56 10.441 7.801 3.961 1.00 12.00 H new ATOM 0 HD11 ILE A 56 9.694 4.517 6.778 1.00 12.00 H new ATOM 0 HD12 ILE A 56 10.660 3.763 5.488 1.00 12.00 H new ATOM 0 HD13 ILE A 56 11.142 5.341 6.153 1.00 12.00 H new ATOM 873 N ASN A 57 8.135 7.729 1.397 1.00 12.00 N ATOM 874 CA ASN A 57 7.258 8.958 1.407 1.00 12.00 C ATOM 875 C ASN A 57 7.252 9.531 -0.012 1.00 12.00 C ATOM 876 O ASN A 57 8.296 9.901 -0.527 1.00 12.00 O ATOM 877 CB ASN A 57 7.827 10.015 2.354 1.00 12.00 C ATOM 878 CG ASN A 57 6.714 10.978 2.765 1.00 12.00 C ATOM 879 OD1 ASN A 57 6.169 11.686 1.940 1.00 12.00 O ATOM 880 ND2 ASN A 57 6.348 11.030 4.015 1.00 12.00 N ATOM 0 H ASN A 57 8.446 7.448 0.467 1.00 12.00 H new ATOM 0 HA ASN A 57 6.255 8.692 1.739 1.00 12.00 H new ATOM 0 HB2 ASN A 57 8.254 9.537 3.236 1.00 12.00 H new ATOM 0 HB3 ASN A 57 8.634 10.561 1.865 1.00 12.00 H new ATOM 0 HD21 ASN A 57 5.603 11.665 4.302 1.00 12.00 H new ATOM 0 HD22 ASN A 57 6.806 10.435 4.706 1.00 12.00 H new ATOM 887 N MET A 58 6.101 9.582 -0.656 1.00 12.00 N ATOM 888 CA MET A 58 6.049 10.106 -2.068 1.00 12.00 C ATOM 889 C MET A 58 4.619 10.504 -2.472 1.00 12.00 C ATOM 890 O MET A 58 3.669 10.295 -1.743 1.00 12.00 O ATOM 891 CB MET A 58 6.545 8.996 -3.003 1.00 12.00 C ATOM 892 CG MET A 58 7.167 9.606 -4.260 1.00 12.00 C ATOM 893 SD MET A 58 8.498 8.530 -4.854 1.00 12.00 S ATOM 894 CE MET A 58 7.793 8.142 -6.477 1.00 12.00 C ATOM 0 H MET A 58 5.204 9.287 -0.269 1.00 12.00 H new ATOM 0 HA MET A 58 6.675 10.996 -2.139 1.00 12.00 H new ATOM 0 HB2 MET A 58 7.280 8.377 -2.488 1.00 12.00 H new ATOM 0 HB3 MET A 58 5.716 8.344 -3.278 1.00 12.00 H new ATOM 0 HG2 MET A 58 6.408 9.726 -5.033 1.00 12.00 H new ATOM 0 HG3 MET A 58 7.558 10.600 -4.041 1.00 12.00 H new ATOM 0 HE1 MET A 58 8.468 7.478 -7.018 1.00 12.00 H new ATOM 0 HE2 MET A 58 6.828 7.651 -6.347 1.00 12.00 H new ATOM 0 HE3 MET A 58 7.658 9.063 -7.045 1.00 12.00 H new ATOM 904 N ASN A 59 4.491 11.046 -3.664 1.00 12.00 N ATOM 905 CA ASN A 59 3.161 11.449 -4.228 1.00 12.00 C ATOM 906 C ASN A 59 3.104 10.879 -5.651 1.00 12.00 C ATOM 907 O ASN A 59 3.920 11.241 -6.484 1.00 12.00 O ATOM 908 CB ASN A 59 3.069 12.979 -4.270 1.00 12.00 C ATOM 909 CG ASN A 59 1.641 13.415 -4.606 1.00 12.00 C ATOM 910 OD1 ASN A 59 0.998 12.832 -5.457 1.00 12.00 O ATOM 911 ND2 ASN A 59 1.114 14.423 -3.964 1.00 12.00 N ATOM 0 H ASN A 59 5.278 11.230 -4.286 1.00 12.00 H new ATOM 0 HA ASN A 59 2.335 11.075 -3.623 1.00 12.00 H new ATOM 0 HB2 ASN A 59 3.367 13.395 -3.307 1.00 12.00 H new ATOM 0 HB3 ASN A 59 3.761 13.372 -5.015 1.00 12.00 H new ATOM 0 HD21 ASN A 59 0.162 14.722 -4.177 1.00 12.00 H new ATOM 0 HD22 ASN A 59 1.654 14.912 -3.250 1.00 12.00 H new ATOM 918 N VAL A 60 2.183 9.967 -5.926 1.00 12.00 N ATOM 919 CA VAL A 60 2.121 9.345 -7.289 1.00 12.00 C ATOM 920 C VAL A 60 0.685 9.348 -7.812 1.00 12.00 C ATOM 921 O VAL A 60 -0.256 9.526 -7.058 1.00 12.00 O ATOM 922 CB VAL A 60 2.654 7.905 -7.190 1.00 12.00 C ATOM 923 CG1 VAL A 60 1.783 7.089 -6.230 1.00 12.00 C ATOM 924 CG2 VAL A 60 2.645 7.242 -8.572 1.00 12.00 C ATOM 0 H VAL A 60 1.480 9.634 -5.266 1.00 12.00 H new ATOM 0 HA VAL A 60 2.731 9.919 -7.987 1.00 12.00 H new ATOM 0 HB VAL A 60 3.676 7.938 -6.813 1.00 12.00 H new ATOM 0 HG11 VAL A 60 2.167 6.071 -6.166 1.00 12.00 H new ATOM 0 HG12 VAL A 60 1.803 7.547 -5.241 1.00 12.00 H new ATOM 0 HG13 VAL A 60 0.757 7.067 -6.599 1.00 12.00 H new ATOM 0 HG21 VAL A 60 3.024 6.223 -8.489 1.00 12.00 H new ATOM 0 HG22 VAL A 60 1.626 7.220 -8.958 1.00 12.00 H new ATOM 0 HG23 VAL A 60 3.278 7.811 -9.253 1.00 12.00 H new ATOM 934 N LEU A 61 0.527 9.153 -9.105 1.00 12.00 N ATOM 935 CA LEU A 61 -0.833 9.138 -9.724 1.00 12.00 C ATOM 936 C LEU A 61 -1.011 7.855 -10.548 1.00 12.00 C ATOM 937 O LEU A 61 -0.374 7.685 -11.577 1.00 12.00 O ATOM 938 CB LEU A 61 -0.978 10.362 -10.640 1.00 12.00 C ATOM 939 CG LEU A 61 -2.381 10.959 -10.488 1.00 12.00 C ATOM 940 CD1 LEU A 61 -2.380 12.421 -10.956 1.00 12.00 C ATOM 941 CD2 LEU A 61 -3.367 10.147 -11.333 1.00 12.00 C ATOM 0 H LEU A 61 1.294 9.003 -9.760 1.00 12.00 H new ATOM 0 HA LEU A 61 -1.593 9.169 -8.943 1.00 12.00 H new ATOM 0 HB2 LEU A 61 -0.225 11.109 -10.387 1.00 12.00 H new ATOM 0 HB3 LEU A 61 -0.805 10.074 -11.677 1.00 12.00 H new ATOM 0 HG LEU A 61 -2.680 10.923 -9.440 1.00 12.00 H new ATOM 0 HD11 LEU A 61 -3.380 12.839 -10.845 1.00 12.00 H new ATOM 0 HD12 LEU A 61 -1.678 12.996 -10.352 1.00 12.00 H new ATOM 0 HD13 LEU A 61 -2.081 12.468 -12.003 1.00 12.00 H new ATOM 0 HD21 LEU A 61 -4.367 10.567 -11.229 1.00 12.00 H new ATOM 0 HD22 LEU A 61 -3.065 10.184 -12.380 1.00 12.00 H new ATOM 0 HD23 LEU A 61 -3.371 9.112 -10.993 1.00 12.00 H new ATOM 953 N SER A 62 -1.879 6.961 -10.104 1.00 12.00 N ATOM 954 CA SER A 62 -2.126 5.684 -10.855 1.00 12.00 C ATOM 955 C SER A 62 -2.628 6.030 -12.265 1.00 12.00 C ATOM 956 O SER A 62 -3.820 6.213 -12.481 1.00 12.00 O ATOM 957 CB SER A 62 -3.172 4.847 -10.116 1.00 12.00 C ATOM 958 OG SER A 62 -2.771 4.679 -8.760 1.00 12.00 O ATOM 0 H SER A 62 -2.426 7.066 -9.250 1.00 12.00 H new ATOM 0 HA SER A 62 -1.203 5.108 -10.926 1.00 12.00 H new ATOM 0 HB2 SER A 62 -4.144 5.337 -10.161 1.00 12.00 H new ATOM 0 HB3 SER A 62 -3.282 3.875 -10.597 1.00 12.00 H new ATOM 0 HG SER A 62 -3.441 4.144 -8.285 1.00 12.00 H new ATOM 964 N THR A 63 -1.713 6.135 -13.216 1.00 12.00 N ATOM 965 CA THR A 63 -2.094 6.476 -14.621 1.00 12.00 C ATOM 966 C THR A 63 -2.655 5.231 -15.294 1.00 12.00 C ATOM 967 O THR A 63 -3.731 5.265 -15.871 1.00 12.00 O ATOM 968 CB THR A 63 -0.869 6.972 -15.399 1.00 12.00 C ATOM 969 OG1 THR A 63 0.282 6.219 -15.022 1.00 12.00 O ATOM 970 CG2 THR A 63 -0.649 8.464 -15.113 1.00 12.00 C ATOM 0 H THR A 63 -0.713 5.996 -13.068 1.00 12.00 H new ATOM 0 HA THR A 63 -2.844 7.267 -14.610 1.00 12.00 H new ATOM 0 HB THR A 63 -1.038 6.838 -16.467 1.00 12.00 H new ATOM 0 HG1 THR A 63 1.061 6.539 -15.523 1.00 12.00 H new ATOM 0 HG21 THR A 63 0.222 8.816 -15.666 1.00 12.00 H new ATOM 0 HG22 THR A 63 -1.529 9.028 -15.424 1.00 12.00 H new ATOM 0 HG23 THR A 63 -0.484 8.609 -14.045 1.00 12.00 H new ATOM 978 N THR A 64 -1.941 4.124 -15.200 1.00 12.00 N ATOM 979 CA THR A 64 -2.426 2.846 -15.807 1.00 12.00 C ATOM 980 C THR A 64 -3.764 2.503 -15.161 1.00 12.00 C ATOM 981 O THR A 64 -3.819 2.132 -14.006 1.00 12.00 O ATOM 982 CB THR A 64 -1.415 1.727 -15.547 1.00 12.00 C ATOM 983 OG1 THR A 64 -0.962 1.805 -14.202 1.00 12.00 O ATOM 984 CG2 THR A 64 -0.226 1.871 -16.498 1.00 12.00 C ATOM 0 H THR A 64 -1.040 4.058 -14.726 1.00 12.00 H new ATOM 0 HA THR A 64 -2.542 2.956 -16.885 1.00 12.00 H new ATOM 0 HB THR A 64 -1.892 0.762 -15.716 1.00 12.00 H new ATOM 0 HG1 THR A 64 -1.691 1.555 -13.596 1.00 12.00 H new ATOM 0 HG21 THR A 64 0.490 1.072 -16.308 1.00 12.00 H new ATOM 0 HG22 THR A 64 -0.575 1.809 -17.529 1.00 12.00 H new ATOM 0 HG23 THR A 64 0.255 2.836 -16.336 1.00 12.00 H new ATOM 992 N ARG A 65 -4.835 2.674 -15.902 1.00 12.00 N ATOM 993 CA ARG A 65 -6.224 2.422 -15.384 1.00 12.00 C ATOM 994 C ARG A 65 -6.299 1.207 -14.436 1.00 12.00 C ATOM 995 O ARG A 65 -6.236 0.065 -14.863 1.00 12.00 O ATOM 996 CB ARG A 65 -7.159 2.196 -16.581 1.00 12.00 C ATOM 997 CG ARG A 65 -6.728 0.944 -17.355 1.00 12.00 C ATOM 998 CD ARG A 65 -7.220 1.023 -18.797 1.00 12.00 C ATOM 999 NE ARG A 65 -6.484 0.018 -19.613 1.00 12.00 N ATOM 1000 CZ ARG A 65 -5.367 0.346 -20.199 1.00 12.00 C ATOM 1001 NH1 ARG A 65 -5.395 0.926 -21.367 1.00 12.00 N ATOM 1002 NH2 ARG A 65 -4.223 0.098 -19.618 1.00 12.00 N ATOM 0 H ARG A 65 -4.804 2.987 -16.872 1.00 12.00 H new ATOM 0 HA ARG A 65 -6.527 3.294 -14.805 1.00 12.00 H new ATOM 0 HB2 ARG A 65 -8.186 2.083 -16.234 1.00 12.00 H new ATOM 0 HB3 ARG A 65 -7.138 3.065 -17.238 1.00 12.00 H new ATOM 0 HG2 ARG A 65 -5.642 0.852 -17.338 1.00 12.00 H new ATOM 0 HG3 ARG A 65 -7.131 0.053 -16.874 1.00 12.00 H new ATOM 0 HD2 ARG A 65 -8.292 0.832 -18.841 1.00 12.00 H new ATOM 0 HD3 ARG A 65 -7.058 2.024 -19.196 1.00 12.00 H new ATOM 0 HE ARG A 65 -6.854 -0.927 -19.713 1.00 12.00 H new ATOM 0 HH11 ARG A 65 -6.289 1.121 -21.818 1.00 12.00 H new ATOM 0 HH12 ARG A 65 -4.523 1.184 -21.829 1.00 12.00 H new ATOM 0 HH21 ARG A 65 -4.203 -0.353 -18.704 1.00 12.00 H new ATOM 0 HH22 ARG A 65 -3.350 0.356 -20.079 1.00 12.00 H new ATOM 1016 N PHE A 66 -6.463 1.464 -13.153 1.00 12.00 N ATOM 1017 CA PHE A 66 -6.584 0.339 -12.154 1.00 12.00 C ATOM 1018 C PHE A 66 -8.093 0.030 -11.933 1.00 12.00 C ATOM 1019 O PHE A 66 -8.529 -0.199 -10.823 1.00 12.00 O ATOM 1020 CB PHE A 66 -5.918 0.749 -10.820 1.00 12.00 C ATOM 1021 CG PHE A 66 -4.423 0.489 -10.880 1.00 12.00 C ATOM 1022 CD1 PHE A 66 -3.556 1.474 -11.381 1.00 12.00 C ATOM 1023 CD2 PHE A 66 -3.898 -0.743 -10.445 1.00 12.00 C ATOM 1024 CE1 PHE A 66 -2.181 1.227 -11.448 1.00 12.00 C ATOM 1025 CE2 PHE A 66 -2.523 -0.984 -10.518 1.00 12.00 C ATOM 1026 CZ PHE A 66 -1.666 -0.002 -11.020 1.00 12.00 C ATOM 0 H PHE A 66 -6.518 2.401 -12.754 1.00 12.00 H new ATOM 0 HA PHE A 66 -6.081 -0.552 -12.530 1.00 12.00 H new ATOM 0 HB2 PHE A 66 -6.103 1.805 -10.622 1.00 12.00 H new ATOM 0 HB3 PHE A 66 -6.360 0.188 -9.997 1.00 12.00 H new ATOM 0 HD1 PHE A 66 -3.951 2.422 -11.715 1.00 12.00 H new ATOM 0 HD2 PHE A 66 -4.559 -1.503 -10.054 1.00 12.00 H new ATOM 0 HE1 PHE A 66 -1.515 1.986 -11.831 1.00 12.00 H new ATOM 0 HE2 PHE A 66 -2.123 -1.931 -10.186 1.00 12.00 H new ATOM 0 HZ PHE A 66 -0.604 -0.191 -11.078 1.00 12.00 H new ATOM 1036 N GLN A 67 -8.868 0.023 -13.020 1.00 12.00 N ATOM 1037 CA GLN A 67 -10.363 -0.261 -13.010 1.00 12.00 C ATOM 1038 C GLN A 67 -11.035 -0.066 -11.638 1.00 12.00 C ATOM 1039 O GLN A 67 -10.867 -0.884 -10.746 1.00 12.00 O ATOM 1040 CB GLN A 67 -10.588 -1.697 -13.475 1.00 12.00 C ATOM 1041 CG GLN A 67 -10.559 -1.739 -15.002 1.00 12.00 C ATOM 1042 CD GLN A 67 -11.477 -2.855 -15.505 1.00 12.00 C ATOM 1043 OE1 GLN A 67 -12.685 -2.715 -15.500 1.00 12.00 O ATOM 1044 NE2 GLN A 67 -10.950 -3.963 -15.943 1.00 12.00 N ATOM 0 H GLN A 67 -8.504 0.212 -13.954 1.00 12.00 H new ATOM 0 HA GLN A 67 -10.824 0.465 -13.680 1.00 12.00 H new ATOM 0 HB2 GLN A 67 -9.817 -2.350 -13.066 1.00 12.00 H new ATOM 0 HB3 GLN A 67 -11.545 -2.066 -13.107 1.00 12.00 H new ATOM 0 HG2 GLN A 67 -10.881 -0.780 -15.408 1.00 12.00 H new ATOM 0 HG3 GLN A 67 -9.540 -1.908 -15.351 1.00 12.00 H new ATOM 0 HE21 GLN A 67 -9.937 -4.079 -15.947 1.00 12.00 H new ATOM 0 HE22 GLN A 67 -11.551 -4.714 -16.282 1.00 12.00 H new ATOM 1053 N LEU A 68 -11.816 0.998 -11.476 1.00 12.00 N ATOM 1054 CA LEU A 68 -12.508 1.225 -10.169 1.00 12.00 C ATOM 1055 C LEU A 68 -14.000 0.868 -10.245 1.00 12.00 C ATOM 1056 O LEU A 68 -14.628 0.931 -11.294 1.00 12.00 O ATOM 1057 CB LEU A 68 -12.361 2.693 -9.701 1.00 12.00 C ATOM 1058 CG LEU A 68 -12.536 3.716 -10.846 1.00 12.00 C ATOM 1059 CD1 LEU A 68 -13.821 3.457 -11.637 1.00 12.00 C ATOM 1060 CD2 LEU A 68 -12.631 5.118 -10.237 1.00 12.00 C ATOM 0 H LEU A 68 -11.995 1.704 -12.191 1.00 12.00 H new ATOM 0 HA LEU A 68 -12.026 0.567 -9.446 1.00 12.00 H new ATOM 0 HB2 LEU A 68 -13.099 2.896 -8.925 1.00 12.00 H new ATOM 0 HB3 LEU A 68 -11.378 2.827 -9.249 1.00 12.00 H new ATOM 0 HG LEU A 68 -11.683 3.625 -11.519 1.00 12.00 H new ATOM 0 HD11 LEU A 68 -13.912 4.195 -12.434 1.00 12.00 H new ATOM 0 HD12 LEU A 68 -13.787 2.457 -12.070 1.00 12.00 H new ATOM 0 HD13 LEU A 68 -14.680 3.535 -10.971 1.00 12.00 H new ATOM 0 HD21 LEU A 68 -12.755 5.853 -11.033 1.00 12.00 H new ATOM 0 HD22 LEU A 68 -13.487 5.165 -9.563 1.00 12.00 H new ATOM 0 HD23 LEU A 68 -11.719 5.336 -9.681 1.00 12.00 H new ATOM 1072 N ASN A 69 -14.556 0.534 -9.106 1.00 12.00 N ATOM 1073 CA ASN A 69 -16.017 0.221 -8.994 1.00 12.00 C ATOM 1074 C ASN A 69 -16.583 1.347 -8.131 1.00 12.00 C ATOM 1075 O ASN A 69 -16.431 1.324 -6.923 1.00 12.00 O ATOM 1076 CB ASN A 69 -16.225 -1.131 -8.292 1.00 12.00 C ATOM 1077 CG ASN A 69 -17.579 -1.718 -8.692 1.00 12.00 C ATOM 1078 OD1 ASN A 69 -17.718 -2.281 -9.760 1.00 12.00 O ATOM 1079 ND2 ASN A 69 -18.588 -1.611 -7.873 1.00 12.00 N ATOM 0 H ASN A 69 -14.045 0.463 -8.226 1.00 12.00 H new ATOM 0 HA ASN A 69 -16.500 0.152 -9.969 1.00 12.00 H new ATOM 0 HB2 ASN A 69 -15.425 -1.819 -8.564 1.00 12.00 H new ATOM 0 HB3 ASN A 69 -16.180 -1.001 -7.211 1.00 12.00 H new ATOM 0 HD21 ASN A 69 -19.496 -2.000 -8.128 1.00 12.00 H new ATOM 0 HD22 ASN A 69 -18.470 -1.138 -6.977 1.00 12.00 H new ATOM 1086 N THR A 70 -17.161 2.366 -8.737 1.00 12.00 N ATOM 1087 CA THR A 70 -17.644 3.539 -7.930 1.00 12.00 C ATOM 1088 C THR A 70 -19.138 3.487 -7.648 1.00 12.00 C ATOM 1089 O THR A 70 -19.960 3.484 -8.550 1.00 12.00 O ATOM 1090 CB THR A 70 -17.327 4.830 -8.695 1.00 12.00 C ATOM 1091 OG1 THR A 70 -15.989 4.781 -9.166 1.00 12.00 O ATOM 1092 CG2 THR A 70 -17.496 6.035 -7.765 1.00 12.00 C ATOM 0 H THR A 70 -17.317 2.435 -9.743 1.00 12.00 H new ATOM 0 HA THR A 70 -17.131 3.508 -6.969 1.00 12.00 H new ATOM 0 HB THR A 70 -18.009 4.928 -9.539 1.00 12.00 H new ATOM 0 HG1 THR A 70 -15.785 5.604 -9.657 1.00 12.00 H new ATOM 0 HG21 THR A 70 -17.270 6.951 -8.311 1.00 12.00 H new ATOM 0 HG22 THR A 70 -18.523 6.073 -7.402 1.00 12.00 H new ATOM 0 HG23 THR A 70 -16.815 5.940 -6.919 1.00 12.00 H new ATOM 1100 N CYS A 71 -19.472 3.538 -6.378 1.00 12.00 N ATOM 1101 CA CYS A 71 -20.901 3.595 -5.954 1.00 12.00 C ATOM 1102 C CYS A 71 -21.097 5.027 -5.476 1.00 12.00 C ATOM 1103 O CYS A 71 -20.583 5.402 -4.437 1.00 12.00 O ATOM 1104 CB CYS A 71 -21.187 2.602 -4.812 1.00 12.00 C ATOM 1105 SG CYS A 71 -21.388 0.933 -5.495 1.00 12.00 S ATOM 0 H CYS A 71 -18.801 3.542 -5.610 1.00 12.00 H new ATOM 0 HA CYS A 71 -21.577 3.324 -6.765 1.00 12.00 H new ATOM 0 HB2 CYS A 71 -20.369 2.615 -4.091 1.00 12.00 H new ATOM 0 HB3 CYS A 71 -22.089 2.898 -4.276 1.00 12.00 H new ATOM 1110 N THR A 72 -21.777 5.844 -6.251 1.00 12.00 N ATOM 1111 CA THR A 72 -21.948 7.287 -5.871 1.00 12.00 C ATOM 1112 C THR A 72 -23.320 7.521 -5.232 1.00 12.00 C ATOM 1113 O THR A 72 -24.305 6.921 -5.627 1.00 12.00 O ATOM 1114 CB THR A 72 -21.816 8.156 -7.135 1.00 12.00 C ATOM 1115 OG1 THR A 72 -20.760 7.657 -7.944 1.00 12.00 O ATOM 1116 CG2 THR A 72 -21.512 9.606 -6.750 1.00 12.00 C ATOM 0 H THR A 72 -22.220 5.574 -7.129 1.00 12.00 H new ATOM 0 HA THR A 72 -21.180 7.556 -5.146 1.00 12.00 H new ATOM 0 HB THR A 72 -22.755 8.121 -7.687 1.00 12.00 H new ATOM 0 HG1 THR A 72 -20.676 8.209 -8.750 1.00 12.00 H new ATOM 0 HG21 THR A 72 -21.421 10.211 -7.652 1.00 12.00 H new ATOM 0 HG22 THR A 72 -22.321 9.996 -6.132 1.00 12.00 H new ATOM 0 HG23 THR A 72 -20.577 9.646 -6.191 1.00 12.00 H new ATOM 1124 N ARG A 73 -23.381 8.406 -4.256 1.00 12.00 N ATOM 1125 CA ARG A 73 -24.674 8.723 -3.572 1.00 12.00 C ATOM 1126 C ARG A 73 -25.569 9.492 -4.546 1.00 12.00 C ATOM 1127 O ARG A 73 -25.251 10.608 -4.928 1.00 12.00 O ATOM 1128 CB ARG A 73 -24.388 9.592 -2.341 1.00 12.00 C ATOM 1129 CG ARG A 73 -25.681 9.828 -1.550 1.00 12.00 C ATOM 1130 CD ARG A 73 -25.818 11.318 -1.219 1.00 12.00 C ATOM 1131 NE ARG A 73 -26.896 11.504 -0.208 1.00 12.00 N ATOM 1132 CZ ARG A 73 -27.705 12.526 -0.297 1.00 12.00 C ATOM 1133 NH1 ARG A 73 -27.335 13.693 0.152 1.00 12.00 N ATOM 1134 NH2 ARG A 73 -28.885 12.378 -0.832 1.00 12.00 N ATOM 0 H ARG A 73 -22.577 8.926 -3.904 1.00 12.00 H new ATOM 0 HA ARG A 73 -25.172 7.805 -3.260 1.00 12.00 H new ATOM 0 HB2 ARG A 73 -23.648 9.105 -1.706 1.00 12.00 H new ATOM 0 HB3 ARG A 73 -23.963 10.547 -2.651 1.00 12.00 H new ATOM 0 HG2 ARG A 73 -26.541 9.494 -2.131 1.00 12.00 H new ATOM 0 HG3 ARG A 73 -25.669 9.241 -0.632 1.00 12.00 H new ATOM 0 HD2 ARG A 73 -24.874 11.705 -0.835 1.00 12.00 H new ATOM 0 HD3 ARG A 73 -26.050 11.882 -2.122 1.00 12.00 H new ATOM 0 HE ARG A 73 -27.003 10.834 0.553 1.00 12.00 H new ATOM 0 HH11 ARG A 73 -26.413 13.809 0.573 1.00 12.00 H new ATOM 0 HH12 ARG A 73 -27.967 14.490 0.082 1.00 12.00 H new ATOM 0 HH21 ARG A 73 -29.176 11.465 -1.181 1.00 12.00 H new ATOM 0 HH22 ARG A 73 -29.517 13.176 -0.902 1.00 12.00 H new ATOM 1148 N THR A 74 -26.674 8.898 -4.961 1.00 12.00 N ATOM 1149 CA THR A 74 -27.593 9.583 -5.930 1.00 12.00 C ATOM 1150 C THR A 74 -29.063 9.390 -5.514 1.00 12.00 C ATOM 1151 O THR A 74 -29.597 10.203 -4.776 1.00 12.00 O ATOM 1152 CB THR A 74 -27.356 9.032 -7.343 1.00 12.00 C ATOM 1153 OG1 THR A 74 -27.138 7.628 -7.280 1.00 12.00 O ATOM 1154 CG2 THR A 74 -26.133 9.714 -7.961 1.00 12.00 C ATOM 0 H THR A 74 -26.975 7.969 -4.668 1.00 12.00 H new ATOM 0 HA THR A 74 -27.379 10.652 -5.925 1.00 12.00 H new ATOM 0 HB THR A 74 -28.232 9.233 -7.959 1.00 12.00 H new ATOM 0 HG1 THR A 74 -26.548 7.355 -8.014 1.00 12.00 H new ATOM 0 HG21 THR A 74 -25.966 9.322 -8.964 1.00 12.00 H new ATOM 0 HG22 THR A 74 -26.305 10.789 -8.016 1.00 12.00 H new ATOM 0 HG23 THR A 74 -25.256 9.517 -7.344 1.00 12.00 H new ATOM 1258 N CYS A 81 -29.682 6.679 1.848 1.00 12.00 N ATOM 1259 CA CYS A 81 -28.293 6.406 1.359 1.00 12.00 C ATOM 1260 C CYS A 81 -28.343 5.514 0.084 1.00 12.00 C ATOM 1261 O CYS A 81 -27.834 4.404 0.088 1.00 12.00 O ATOM 1262 CB CYS A 81 -27.500 5.709 2.471 1.00 12.00 C ATOM 1263 SG CYS A 81 -26.937 6.939 3.678 1.00 12.00 S ATOM 0 HA CYS A 81 -27.802 7.344 1.101 1.00 12.00 H new ATOM 0 HB2 CYS A 81 -28.123 4.961 2.962 1.00 12.00 H new ATOM 0 HB3 CYS A 81 -26.645 5.183 2.047 1.00 12.00 H new ATOM 1268 N PRO A 82 -28.952 6.028 -0.984 1.00 12.00 N ATOM 1269 CA PRO A 82 -29.056 5.293 -2.264 1.00 12.00 C ATOM 1270 C PRO A 82 -27.731 5.400 -3.028 1.00 12.00 C ATOM 1271 O PRO A 82 -27.066 6.423 -2.970 1.00 12.00 O ATOM 1272 CB PRO A 82 -30.189 6.008 -3.005 1.00 12.00 C ATOM 1273 CG PRO A 82 -30.293 7.423 -2.387 1.00 12.00 C ATOM 1274 CD PRO A 82 -29.594 7.366 -1.017 1.00 12.00 C ATOM 0 HA PRO A 82 -29.256 4.228 -2.143 1.00 12.00 H new ATOM 0 HB2 PRO A 82 -29.979 6.065 -4.073 1.00 12.00 H new ATOM 0 HB3 PRO A 82 -31.128 5.466 -2.894 1.00 12.00 H new ATOM 0 HG2 PRO A 82 -29.818 8.162 -3.032 1.00 12.00 H new ATOM 0 HG3 PRO A 82 -31.336 7.720 -2.276 1.00 12.00 H new ATOM 0 HD2 PRO A 82 -28.857 8.163 -0.914 1.00 12.00 H new ATOM 0 HD3 PRO A 82 -30.308 7.484 -0.202 1.00 12.00 H new ATOM 1282 N TYR A 83 -27.335 4.345 -3.719 1.00 12.00 N ATOM 1283 CA TYR A 83 -26.028 4.369 -4.470 1.00 12.00 C ATOM 1284 C TYR A 83 -26.166 3.695 -5.838 1.00 12.00 C ATOM 1285 O TYR A 83 -26.835 2.687 -5.983 1.00 12.00 O ATOM 1286 CB TYR A 83 -24.952 3.636 -3.653 1.00 12.00 C ATOM 1287 CG TYR A 83 -24.432 4.561 -2.585 1.00 12.00 C ATOM 1288 CD1 TYR A 83 -25.226 4.867 -1.476 1.00 12.00 C ATOM 1289 CD2 TYR A 83 -23.164 5.127 -2.712 1.00 12.00 C ATOM 1290 CE1 TYR A 83 -24.750 5.740 -0.493 1.00 12.00 C ATOM 1291 CE2 TYR A 83 -22.687 6.002 -1.735 1.00 12.00 C ATOM 1292 CZ TYR A 83 -23.479 6.310 -0.623 1.00 12.00 C ATOM 1293 OH TYR A 83 -23.008 7.175 0.345 1.00 12.00 O ATOM 0 H TYR A 83 -27.859 3.473 -3.794 1.00 12.00 H new ATOM 0 HA TYR A 83 -25.741 5.410 -4.622 1.00 12.00 H new ATOM 0 HB2 TYR A 83 -25.370 2.737 -3.201 1.00 12.00 H new ATOM 0 HB3 TYR A 83 -24.138 3.317 -4.304 1.00 12.00 H new ATOM 0 HD1 TYR A 83 -26.208 4.429 -1.378 1.00 12.00 H new ATOM 0 HD2 TYR A 83 -22.550 4.888 -3.568 1.00 12.00 H new ATOM 0 HE1 TYR A 83 -25.362 5.974 0.365 1.00 12.00 H new ATOM 0 HE2 TYR A 83 -21.706 6.442 -1.837 1.00 12.00 H new ATOM 0 HH TYR A 83 -22.768 8.030 -0.069 1.00 12.00 H new ATOM 1303 N SER A 84 -25.502 4.252 -6.828 1.00 12.00 N ATOM 1304 CA SER A 84 -25.528 3.667 -8.218 1.00 12.00 C ATOM 1305 C SER A 84 -24.111 3.207 -8.559 1.00 12.00 C ATOM 1306 O SER A 84 -23.151 3.913 -8.293 1.00 12.00 O ATOM 1307 CB SER A 84 -25.996 4.721 -9.231 1.00 12.00 C ATOM 1308 OG SER A 84 -26.422 4.067 -10.420 1.00 12.00 O ATOM 0 H SER A 84 -24.937 5.096 -6.734 1.00 12.00 H new ATOM 0 HA SER A 84 -26.222 2.828 -8.260 1.00 12.00 H new ATOM 0 HB2 SER A 84 -26.813 5.309 -8.812 1.00 12.00 H new ATOM 0 HB3 SER A 84 -25.185 5.415 -9.453 1.00 12.00 H new ATOM 0 HG SER A 84 -26.724 4.735 -11.071 1.00 12.00 H new ATOM 1314 N SER A 85 -23.971 2.014 -9.107 1.00 12.00 N ATOM 1315 CA SER A 85 -22.608 1.476 -9.426 1.00 12.00 C ATOM 1316 C SER A 85 -22.223 1.728 -10.888 1.00 12.00 C ATOM 1317 O SER A 85 -23.025 1.575 -11.795 1.00 12.00 O ATOM 1318 CB SER A 85 -22.580 -0.030 -9.162 1.00 12.00 C ATOM 1319 OG SER A 85 -23.114 -0.297 -7.871 1.00 12.00 O ATOM 0 H SER A 85 -24.745 1.393 -9.345 1.00 12.00 H new ATOM 0 HA SER A 85 -21.891 1.994 -8.789 1.00 12.00 H new ATOM 0 HB2 SER A 85 -23.160 -0.554 -9.922 1.00 12.00 H new ATOM 0 HB3 SER A 85 -21.558 -0.402 -9.228 1.00 12.00 H new ATOM 0 HG SER A 85 -22.555 0.133 -7.190 1.00 12.00 H new ATOM 1325 N ARG A 86 -20.974 2.089 -11.100 1.00 12.00 N ATOM 1326 CA ARG A 86 -20.445 2.340 -12.481 1.00 12.00 C ATOM 1327 C ARG A 86 -18.944 2.028 -12.484 1.00 12.00 C ATOM 1328 O ARG A 86 -18.191 2.622 -11.731 1.00 12.00 O ATOM 1329 CB ARG A 86 -20.657 3.807 -12.869 1.00 12.00 C ATOM 1330 CG ARG A 86 -21.992 3.957 -13.606 1.00 12.00 C ATOM 1331 CD ARG A 86 -21.859 3.420 -15.034 1.00 12.00 C ATOM 1332 NE ARG A 86 -22.830 4.123 -15.921 1.00 12.00 N ATOM 1333 CZ ARG A 86 -23.242 3.551 -17.021 1.00 12.00 C ATOM 1334 NH1 ARG A 86 -24.015 2.502 -16.961 1.00 12.00 N ATOM 1335 NH2 ARG A 86 -22.877 4.028 -18.179 1.00 12.00 N ATOM 0 H ARG A 86 -20.288 2.222 -10.357 1.00 12.00 H new ATOM 0 HA ARG A 86 -20.970 1.708 -13.197 1.00 12.00 H new ATOM 0 HB2 ARG A 86 -20.650 4.434 -11.977 1.00 12.00 H new ATOM 0 HB3 ARG A 86 -19.839 4.147 -13.504 1.00 12.00 H new ATOM 0 HG2 ARG A 86 -22.774 3.414 -13.075 1.00 12.00 H new ATOM 0 HG3 ARG A 86 -22.290 5.005 -13.628 1.00 12.00 H new ATOM 0 HD2 ARG A 86 -20.843 3.571 -15.398 1.00 12.00 H new ATOM 0 HD3 ARG A 86 -22.047 2.346 -15.049 1.00 12.00 H new ATOM 0 HE ARG A 86 -23.172 5.050 -15.669 1.00 12.00 H new ATOM 0 HH11 ARG A 86 -24.298 2.128 -16.055 1.00 12.00 H new ATOM 0 HH12 ARG A 86 -24.337 2.056 -17.820 1.00 12.00 H new ATOM 0 HH21 ARG A 86 -22.270 4.847 -18.225 1.00 12.00 H new ATOM 0 HH22 ARG A 86 -23.198 3.582 -19.038 1.00 12.00 H new ATOM 1349 N THR A 87 -18.509 1.097 -13.317 1.00 12.00 N ATOM 1350 CA THR A 87 -17.052 0.731 -13.365 1.00 12.00 C ATOM 1351 C THR A 87 -16.414 1.334 -14.616 1.00 12.00 C ATOM 1352 O THR A 87 -17.075 1.507 -15.628 1.00 12.00 O ATOM 1353 CB THR A 87 -16.914 -0.795 -13.402 1.00 12.00 C ATOM 1354 OG1 THR A 87 -17.695 -1.364 -12.360 1.00 12.00 O ATOM 1355 CG2 THR A 87 -15.448 -1.188 -13.212 1.00 12.00 C ATOM 0 H THR A 87 -19.103 0.578 -13.963 1.00 12.00 H new ATOM 0 HA THR A 87 -16.548 1.121 -12.481 1.00 12.00 H new ATOM 0 HB THR A 87 -17.263 -1.165 -14.366 1.00 12.00 H new ATOM 0 HG1 THR A 87 -17.131 -1.512 -11.572 1.00 12.00 H new ATOM 0 HG21 THR A 87 -15.356 -2.274 -13.239 1.00 12.00 H new ATOM 0 HG22 THR A 87 -14.848 -0.753 -14.011 1.00 12.00 H new ATOM 0 HG23 THR A 87 -15.094 -0.818 -12.250 1.00 12.00 H new ATOM 1363 N GLU A 88 -15.136 1.657 -14.547 1.00 12.00 N ATOM 1364 CA GLU A 88 -14.434 2.257 -15.728 1.00 12.00 C ATOM 1365 C GLU A 88 -12.947 2.467 -15.415 1.00 12.00 C ATOM 1366 O GLU A 88 -12.455 2.031 -14.389 1.00 12.00 O ATOM 1367 CB GLU A 88 -15.081 3.605 -16.062 1.00 12.00 C ATOM 1368 CG GLU A 88 -15.042 4.516 -14.830 1.00 12.00 C ATOM 1369 CD GLU A 88 -15.883 5.764 -15.093 1.00 12.00 C ATOM 1370 OE1 GLU A 88 -15.601 6.452 -16.060 1.00 12.00 O ATOM 1371 OE2 GLU A 88 -16.796 6.011 -14.324 1.00 12.00 O ATOM 0 H GLU A 88 -14.552 1.529 -13.720 1.00 12.00 H new ATOM 0 HA GLU A 88 -14.521 1.580 -16.578 1.00 12.00 H new ATOM 0 HB2 GLU A 88 -14.554 4.076 -16.892 1.00 12.00 H new ATOM 0 HB3 GLU A 88 -16.112 3.455 -16.383 1.00 12.00 H new ATOM 0 HG2 GLU A 88 -15.424 3.984 -13.959 1.00 12.00 H new ATOM 0 HG3 GLU A 88 -14.013 4.798 -14.605 1.00 12.00 H new ATOM 1378 N THR A 89 -12.240 3.141 -16.305 1.00 12.00 N ATOM 1379 CA THR A 89 -10.773 3.417 -16.113 1.00 12.00 C ATOM 1380 C THR A 89 -10.531 3.999 -14.716 1.00 12.00 C ATOM 1381 O THR A 89 -11.271 4.861 -14.266 1.00 12.00 O ATOM 1382 CB THR A 89 -10.320 4.428 -17.188 1.00 12.00 C ATOM 1383 OG1 THR A 89 -10.473 3.837 -18.470 1.00 12.00 O ATOM 1384 CG2 THR A 89 -8.851 4.816 -16.984 1.00 12.00 C ATOM 0 H THR A 89 -12.627 3.517 -17.171 1.00 12.00 H new ATOM 0 HA THR A 89 -10.204 2.492 -16.208 1.00 12.00 H new ATOM 0 HB THR A 89 -10.932 5.326 -17.107 1.00 12.00 H new ATOM 0 HG1 THR A 89 -10.189 4.473 -19.159 1.00 12.00 H new ATOM 0 HG21 THR A 89 -8.553 5.529 -17.753 1.00 12.00 H new ATOM 0 HG22 THR A 89 -8.728 5.270 -16.001 1.00 12.00 H new ATOM 0 HG23 THR A 89 -8.226 3.925 -17.054 1.00 12.00 H new ATOM 1392 N ASN A 90 -9.503 3.528 -14.036 1.00 12.00 N ATOM 1393 CA ASN A 90 -9.212 4.052 -12.658 1.00 12.00 C ATOM 1394 C ASN A 90 -7.965 4.947 -12.651 1.00 12.00 C ATOM 1395 O ASN A 90 -6.861 4.517 -12.351 1.00 12.00 O ATOM 1396 CB ASN A 90 -9.040 2.900 -11.661 1.00 12.00 C ATOM 1397 CG ASN A 90 -9.116 3.438 -10.226 1.00 12.00 C ATOM 1398 OD1 ASN A 90 -9.876 4.338 -9.935 1.00 12.00 O ATOM 1399 ND2 ASN A 90 -8.348 2.916 -9.307 1.00 12.00 N ATOM 0 H ASN A 90 -8.861 2.811 -14.373 1.00 12.00 H new ATOM 0 HA ASN A 90 -10.066 4.656 -12.352 1.00 12.00 H new ATOM 0 HB2 ASN A 90 -9.816 2.151 -11.820 1.00 12.00 H new ATOM 0 HB3 ASN A 90 -8.082 2.406 -11.824 1.00 12.00 H new ATOM 0 HD21 ASN A 90 -8.389 3.265 -8.350 1.00 12.00 H new ATOM 0 HD22 ASN A 90 -7.708 2.159 -9.547 1.00 12.00 H new ATOM 1406 N TYR A 91 -8.174 6.210 -12.923 1.00 12.00 N ATOM 1407 CA TYR A 91 -7.067 7.217 -12.882 1.00 12.00 C ATOM 1408 C TYR A 91 -7.160 7.834 -11.487 1.00 12.00 C ATOM 1409 O TYR A 91 -8.056 8.622 -11.230 1.00 12.00 O ATOM 1410 CB TYR A 91 -7.301 8.294 -13.956 1.00 12.00 C ATOM 1411 CG TYR A 91 -6.031 8.542 -14.732 1.00 12.00 C ATOM 1412 CD1 TYR A 91 -5.632 7.645 -15.730 1.00 12.00 C ATOM 1413 CD2 TYR A 91 -5.262 9.681 -14.467 1.00 12.00 C ATOM 1414 CE1 TYR A 91 -4.462 7.887 -16.460 1.00 12.00 C ATOM 1415 CE2 TYR A 91 -4.093 9.923 -15.200 1.00 12.00 C ATOM 1416 CZ TYR A 91 -3.694 9.027 -16.195 1.00 12.00 C ATOM 1417 OH TYR A 91 -2.544 9.268 -16.918 1.00 12.00 O ATOM 0 H TYR A 91 -9.084 6.595 -13.177 1.00 12.00 H new ATOM 0 HA TYR A 91 -6.090 6.775 -13.074 1.00 12.00 H new ATOM 0 HB2 TYR A 91 -8.093 7.976 -14.634 1.00 12.00 H new ATOM 0 HB3 TYR A 91 -7.635 9.219 -13.487 1.00 12.00 H new ATOM 0 HD1 TYR A 91 -6.226 6.767 -15.937 1.00 12.00 H new ATOM 0 HD2 TYR A 91 -5.570 10.373 -13.697 1.00 12.00 H new ATOM 0 HE1 TYR A 91 -4.152 7.194 -17.228 1.00 12.00 H new ATOM 0 HE2 TYR A 91 -3.500 10.802 -14.996 1.00 12.00 H new ATOM 0 HH TYR A 91 -2.396 10.234 -16.984 1.00 12.00 H new ATOM 1427 N ILE A 92 -6.308 7.425 -10.566 1.00 12.00 N ATOM 1428 CA ILE A 92 -6.439 7.932 -9.161 1.00 12.00 C ATOM 1429 C ILE A 92 -5.168 8.640 -8.660 1.00 12.00 C ATOM 1430 O ILE A 92 -4.093 8.466 -9.197 1.00 12.00 O ATOM 1431 CB ILE A 92 -6.791 6.725 -8.267 1.00 12.00 C ATOM 1432 CG1 ILE A 92 -7.239 7.216 -6.888 1.00 12.00 C ATOM 1433 CG2 ILE A 92 -5.592 5.775 -8.127 1.00 12.00 C ATOM 1434 CD1 ILE A 92 -7.711 6.028 -6.037 1.00 12.00 C ATOM 0 H ILE A 92 -5.541 6.772 -10.726 1.00 12.00 H new ATOM 0 HA ILE A 92 -7.223 8.688 -9.124 1.00 12.00 H new ATOM 0 HB ILE A 92 -7.606 6.174 -8.736 1.00 12.00 H new ATOM 0 HG12 ILE A 92 -6.415 7.727 -6.389 1.00 12.00 H new ATOM 0 HG13 ILE A 92 -8.046 7.941 -6.995 1.00 12.00 H new ATOM 0 HG21 ILE A 92 -5.867 4.933 -7.492 1.00 12.00 H new ATOM 0 HG22 ILE A 92 -5.302 5.408 -9.111 1.00 12.00 H new ATOM 0 HG23 ILE A 92 -4.755 6.309 -7.678 1.00 12.00 H new ATOM 0 HD11 ILE A 92 -8.028 6.385 -5.057 1.00 12.00 H new ATOM 0 HD12 ILE A 92 -8.548 5.536 -6.532 1.00 12.00 H new ATOM 0 HD13 ILE A 92 -6.892 5.319 -5.917 1.00 12.00 H new ATOM 1446 N CYS A 93 -5.318 9.420 -7.608 1.00 12.00 N ATOM 1447 CA CYS A 93 -4.159 10.151 -6.987 1.00 12.00 C ATOM 1448 C CYS A 93 -3.922 9.563 -5.600 1.00 12.00 C ATOM 1449 O CYS A 93 -4.769 9.657 -4.715 1.00 12.00 O ATOM 1450 CB CYS A 93 -4.473 11.644 -6.865 1.00 12.00 C ATOM 1451 SG CYS A 93 -3.035 12.508 -6.184 1.00 12.00 S ATOM 0 H CYS A 93 -6.212 9.583 -7.146 1.00 12.00 H new ATOM 0 HA CYS A 93 -3.272 10.039 -7.610 1.00 12.00 H new ATOM 0 HB2 CYS A 93 -4.728 12.054 -7.842 1.00 12.00 H new ATOM 0 HB3 CYS A 93 -5.339 11.793 -6.221 1.00 12.00 H new ATOM 0 HG CYS A 93 -3.299 13.777 -6.082 1.00 12.00 H new ATOM 1456 N VAL A 94 -2.790 8.924 -5.429 1.00 12.00 N ATOM 1457 CA VAL A 94 -2.468 8.264 -4.133 1.00 12.00 C ATOM 1458 C VAL A 94 -1.108 8.749 -3.623 1.00 12.00 C ATOM 1459 O VAL A 94 -0.515 9.657 -4.185 1.00 12.00 O ATOM 1460 CB VAL A 94 -2.456 6.744 -4.374 1.00 12.00 C ATOM 1461 CG1 VAL A 94 -3.768 6.342 -5.060 1.00 12.00 C ATOM 1462 CG2 VAL A 94 -1.286 6.361 -5.293 1.00 12.00 C ATOM 0 H VAL A 94 -2.069 8.833 -6.144 1.00 12.00 H new ATOM 0 HA VAL A 94 -3.211 8.513 -3.375 1.00 12.00 H new ATOM 0 HB VAL A 94 -2.347 6.232 -3.418 1.00 12.00 H new ATOM 0 HG11 VAL A 94 -3.772 5.266 -5.236 1.00 12.00 H new ATOM 0 HG12 VAL A 94 -4.609 6.608 -4.420 1.00 12.00 H new ATOM 0 HG13 VAL A 94 -3.856 6.866 -6.012 1.00 12.00 H new ATOM 0 HG21 VAL A 94 -1.289 5.283 -5.456 1.00 12.00 H new ATOM 0 HG22 VAL A 94 -1.392 6.873 -6.250 1.00 12.00 H new ATOM 0 HG23 VAL A 94 -0.346 6.655 -4.827 1.00 12.00 H new ATOM 1472 N LYS A 95 -0.620 8.138 -2.567 1.00 12.00 N ATOM 1473 CA LYS A 95 0.702 8.532 -1.997 1.00 12.00 C ATOM 1474 C LYS A 95 1.412 7.282 -1.467 1.00 12.00 C ATOM 1475 O LYS A 95 0.770 6.281 -1.185 1.00 12.00 O ATOM 1476 CB LYS A 95 0.483 9.550 -0.876 1.00 12.00 C ATOM 1477 CG LYS A 95 0.152 10.911 -1.495 1.00 12.00 C ATOM 1478 CD LYS A 95 0.015 11.962 -0.390 1.00 12.00 C ATOM 1479 CE LYS A 95 0.026 13.360 -1.015 1.00 12.00 C ATOM 1480 NZ LYS A 95 0.621 14.333 -0.055 1.00 12.00 N ATOM 0 H LYS A 95 -1.088 7.377 -2.075 1.00 12.00 H new ATOM 0 HA LYS A 95 1.326 8.989 -2.765 1.00 12.00 H new ATOM 0 HB2 LYS A 95 -0.329 9.225 -0.226 1.00 12.00 H new ATOM 0 HB3 LYS A 95 1.377 9.626 -0.256 1.00 12.00 H new ATOM 0 HG2 LYS A 95 0.936 11.204 -2.193 1.00 12.00 H new ATOM 0 HG3 LYS A 95 -0.775 10.846 -2.065 1.00 12.00 H new ATOM 0 HD2 LYS A 95 -0.911 11.806 0.163 1.00 12.00 H new ATOM 0 HD3 LYS A 95 0.833 11.864 0.324 1.00 12.00 H new ATOM 0 HE2 LYS A 95 0.600 13.351 -1.941 1.00 12.00 H new ATOM 0 HE3 LYS A 95 -0.989 13.662 -1.272 1.00 12.00 H new ATOM 0 HZ1 LYS A 95 0.628 15.282 -0.481 1.00 12.00 H new ATOM 0 HZ2 LYS A 95 0.056 14.350 0.818 1.00 12.00 H new ATOM 0 HZ3 LYS A 95 1.596 14.048 0.169 1.00 12.00 H new ATOM 1494 N CYS A 96 2.727 7.323 -1.351 1.00 12.00 N ATOM 1495 CA CYS A 96 3.485 6.118 -0.873 1.00 12.00 C ATOM 1496 C CYS A 96 4.270 6.383 0.424 1.00 12.00 C ATOM 1497 O CYS A 96 5.232 7.132 0.443 1.00 12.00 O ATOM 1498 CB CYS A 96 4.485 5.666 -1.953 1.00 12.00 C ATOM 1499 SG CYS A 96 3.832 5.984 -3.614 1.00 12.00 S ATOM 0 H CYS A 96 3.302 8.137 -1.567 1.00 12.00 H new ATOM 0 HA CYS A 96 2.742 5.346 -0.672 1.00 12.00 H new ATOM 0 HB2 CYS A 96 5.430 6.193 -1.823 1.00 12.00 H new ATOM 0 HB3 CYS A 96 4.695 4.603 -1.838 1.00 12.00 H new ATOM 1504 N GLU A 97 3.898 5.685 1.476 1.00 12.00 N ATOM 1505 CA GLU A 97 4.630 5.752 2.788 1.00 12.00 C ATOM 1506 C GLU A 97 4.985 4.298 3.098 1.00 12.00 C ATOM 1507 O GLU A 97 4.225 3.411 2.756 1.00 12.00 O ATOM 1508 CB GLU A 97 3.742 6.334 3.898 1.00 12.00 C ATOM 1509 CG GLU A 97 4.485 6.289 5.241 1.00 12.00 C ATOM 1510 CD GLU A 97 3.926 7.366 6.169 1.00 12.00 C ATOM 1511 OE1 GLU A 97 2.770 7.253 6.545 1.00 12.00 O ATOM 1512 OE2 GLU A 97 4.663 8.282 6.493 1.00 12.00 O ATOM 0 H GLU A 97 3.096 5.055 1.479 1.00 12.00 H new ATOM 0 HA GLU A 97 5.505 6.400 2.732 1.00 12.00 H new ATOM 0 HB2 GLU A 97 3.471 7.362 3.657 1.00 12.00 H new ATOM 0 HB3 GLU A 97 2.813 5.767 3.967 1.00 12.00 H new ATOM 0 HG2 GLU A 97 4.373 5.306 5.698 1.00 12.00 H new ATOM 0 HG3 GLU A 97 5.552 6.447 5.084 1.00 12.00 H new ATOM 1519 N ASN A 98 6.134 4.020 3.681 1.00 12.00 N ATOM 1520 CA ASN A 98 6.518 2.573 3.911 1.00 12.00 C ATOM 1521 C ASN A 98 6.457 1.843 2.538 1.00 12.00 C ATOM 1522 O ASN A 98 6.165 0.668 2.447 1.00 12.00 O ATOM 1523 CB ASN A 98 5.527 1.937 4.891 1.00 12.00 C ATOM 1524 CG ASN A 98 6.098 2.023 6.307 1.00 12.00 C ATOM 1525 OD1 ASN A 98 5.503 2.621 7.180 1.00 12.00 O ATOM 1526 ND2 ASN A 98 7.240 1.449 6.569 1.00 12.00 N ATOM 0 H ASN A 98 6.812 4.711 4.003 1.00 12.00 H new ATOM 0 HA ASN A 98 7.521 2.497 4.332 1.00 12.00 H new ATOM 0 HB2 ASN A 98 4.567 2.450 4.841 1.00 12.00 H new ATOM 0 HB3 ASN A 98 5.346 0.897 4.621 1.00 12.00 H new ATOM 0 HD21 ASN A 98 7.634 1.502 7.508 1.00 12.00 H new ATOM 0 HD22 ASN A 98 7.739 0.947 5.835 1.00 12.00 H new ATOM 1533 N GLN A 99 6.703 2.603 1.478 1.00 12.00 N ATOM 1534 CA GLN A 99 6.677 2.128 0.045 1.00 12.00 C ATOM 1535 C GLN A 99 5.375 1.415 -0.369 1.00 12.00 C ATOM 1536 O GLN A 99 5.287 0.907 -1.477 1.00 12.00 O ATOM 1537 CB GLN A 99 7.905 1.267 -0.289 1.00 12.00 C ATOM 1538 CG GLN A 99 7.929 0.000 0.562 1.00 12.00 C ATOM 1539 CD GLN A 99 8.996 -0.952 0.023 1.00 12.00 C ATOM 1540 OE1 GLN A 99 8.686 -2.028 -0.446 1.00 12.00 O ATOM 1541 NE2 GLN A 99 10.252 -0.599 0.074 1.00 12.00 N ATOM 0 H GLN A 99 6.934 3.593 1.562 1.00 12.00 H new ATOM 0 HA GLN A 99 6.714 3.040 -0.551 1.00 12.00 H new ATOM 0 HB2 GLN A 99 7.891 1.000 -1.346 1.00 12.00 H new ATOM 0 HB3 GLN A 99 8.815 1.842 -0.118 1.00 12.00 H new ATOM 0 HG2 GLN A 99 8.141 0.251 1.601 1.00 12.00 H new ATOM 0 HG3 GLN A 99 6.952 -0.483 0.543 1.00 12.00 H new ATOM 0 HE21 GLN A 99 10.512 0.305 0.468 1.00 12.00 H new ATOM 0 HE22 GLN A 99 10.973 -1.227 -0.280 1.00 12.00 H new ATOM 1550 N TYR A 100 4.351 1.460 0.447 1.00 12.00 N ATOM 1551 CA TYR A 100 3.022 0.886 0.063 1.00 12.00 C ATOM 1552 C TYR A 100 2.065 2.093 0.019 1.00 12.00 C ATOM 1553 O TYR A 100 2.244 3.020 0.798 1.00 12.00 O ATOM 1554 CB TYR A 100 2.586 -0.234 1.073 1.00 12.00 C ATOM 1555 CG TYR A 100 1.431 0.157 2.007 1.00 12.00 C ATOM 1556 CD1 TYR A 100 0.138 0.424 1.506 1.00 12.00 C ATOM 1557 CD2 TYR A 100 1.655 0.234 3.389 1.00 12.00 C ATOM 1558 CE1 TYR A 100 -0.901 0.769 2.380 1.00 12.00 C ATOM 1559 CE2 TYR A 100 0.613 0.576 4.256 1.00 12.00 C ATOM 1560 CZ TYR A 100 -0.664 0.845 3.754 1.00 12.00 C ATOM 1561 OH TYR A 100 -1.689 1.187 4.611 1.00 12.00 O ATOM 0 H TYR A 100 4.380 1.877 1.378 1.00 12.00 H new ATOM 0 HA TYR A 100 3.035 0.383 -0.904 1.00 12.00 H new ATOM 0 HB2 TYR A 100 2.295 -1.120 0.508 1.00 12.00 H new ATOM 0 HB3 TYR A 100 3.448 -0.512 1.680 1.00 12.00 H new ATOM 0 HD1 TYR A 100 -0.051 0.362 0.444 1.00 12.00 H new ATOM 0 HD2 TYR A 100 2.638 0.028 3.786 1.00 12.00 H new ATOM 0 HE1 TYR A 100 -1.887 0.976 1.991 1.00 12.00 H new ATOM 0 HE2 TYR A 100 0.795 0.633 5.319 1.00 12.00 H new ATOM 0 HH TYR A 100 -1.390 1.903 5.209 1.00 12.00 H new ATOM 1571 N PRO A 101 1.082 2.077 -0.867 1.00 12.00 N ATOM 1572 CA PRO A 101 0.128 3.200 -0.974 1.00 12.00 C ATOM 1573 C PRO A 101 -0.600 3.336 0.355 1.00 12.00 C ATOM 1574 O PRO A 101 -1.577 2.675 0.599 1.00 12.00 O ATOM 1575 CB PRO A 101 -0.785 2.804 -2.141 1.00 12.00 C ATOM 1576 CG PRO A 101 -0.625 1.278 -2.300 1.00 12.00 C ATOM 1577 CD PRO A 101 0.793 0.956 -1.794 1.00 12.00 C ATOM 0 HA PRO A 101 0.577 4.174 -1.168 1.00 12.00 H new ATOM 0 HB2 PRO A 101 -1.822 3.069 -1.934 1.00 12.00 H new ATOM 0 HB3 PRO A 101 -0.499 3.325 -3.055 1.00 12.00 H new ATOM 0 HG2 PRO A 101 -1.378 0.742 -1.722 1.00 12.00 H new ATOM 0 HG3 PRO A 101 -0.748 0.977 -3.340 1.00 12.00 H new ATOM 0 HD2 PRO A 101 0.830 -0.007 -1.286 1.00 12.00 H new ATOM 0 HD3 PRO A 101 1.513 0.913 -2.612 1.00 12.00 H new ATOM 1585 N VAL A 102 -0.074 4.169 1.223 1.00 12.00 N ATOM 1586 CA VAL A 102 -0.667 4.344 2.588 1.00 12.00 C ATOM 1587 C VAL A 102 -1.697 5.475 2.590 1.00 12.00 C ATOM 1588 O VAL A 102 -2.363 5.681 3.596 1.00 12.00 O ATOM 1589 CB VAL A 102 0.476 4.675 3.582 1.00 12.00 C ATOM 1590 CG1 VAL A 102 -0.073 5.129 4.947 1.00 12.00 C ATOM 1591 CG2 VAL A 102 1.346 3.437 3.798 1.00 12.00 C ATOM 0 H VAL A 102 0.750 4.741 1.041 1.00 12.00 H new ATOM 0 HA VAL A 102 -1.172 3.425 2.883 1.00 12.00 H new ATOM 0 HB VAL A 102 1.061 5.487 3.151 1.00 12.00 H new ATOM 0 HG11 VAL A 102 0.757 5.352 5.617 1.00 12.00 H new ATOM 0 HG12 VAL A 102 -0.683 6.023 4.815 1.00 12.00 H new ATOM 0 HG13 VAL A 102 -0.682 4.334 5.377 1.00 12.00 H new ATOM 0 HG21 VAL A 102 2.148 3.673 4.497 1.00 12.00 H new ATOM 0 HG22 VAL A 102 0.736 2.630 4.205 1.00 12.00 H new ATOM 0 HG23 VAL A 102 1.775 3.123 2.846 1.00 12.00 H new ATOM 1601 N HIS A 103 -1.812 6.239 1.522 1.00 12.00 N ATOM 1602 CA HIS A 103 -2.776 7.382 1.561 1.00 12.00 C ATOM 1603 C HIS A 103 -3.486 7.585 0.215 1.00 12.00 C ATOM 1604 O HIS A 103 -2.892 8.049 -0.744 1.00 12.00 O ATOM 1605 CB HIS A 103 -2.038 8.691 1.974 1.00 12.00 C ATOM 1606 CG HIS A 103 -0.590 8.417 2.358 1.00 12.00 C ATOM 1607 ND1 HIS A 103 0.451 7.868 1.651 1.00 12.00 N flip ATOM 1608 CD2 HIS A 103 -0.079 8.686 3.619 1.00 12.00 C flip ATOM 1609 CE1 HIS A 103 1.582 7.797 2.445 1.00 12.00 C flip ATOM 1610 NE2 HIS A 103 1.215 8.297 3.621 1.00 12.00 N flip ATOM 0 H HIS A 103 -1.294 6.123 0.651 1.00 12.00 H new ATOM 0 HA HIS A 103 -3.538 7.140 2.302 1.00 12.00 H new ATOM 0 HB2 HIS A 103 -2.068 9.403 1.149 1.00 12.00 H new ATOM 0 HB3 HIS A 103 -2.557 9.153 2.814 1.00 12.00 H new ATOM 0 HD2 HIS A 103 -0.616 9.125 4.447 1.00 12.00 H new ATOM 0 HE1 HIS A 103 2.554 7.417 2.169 1.00 12.00 H new ATOM 0 HE2 HIS A 103 1.835 8.377 4.427 1.00 12.00 H new ATOM 1618 N PHE A 104 -4.777 7.299 0.174 1.00 12.00 N ATOM 1619 CA PHE A 104 -5.583 7.535 -1.075 1.00 12.00 C ATOM 1620 C PHE A 104 -6.324 8.850 -0.833 1.00 12.00 C ATOM 1621 O PHE A 104 -7.149 8.927 0.065 1.00 12.00 O ATOM 1622 CB PHE A 104 -6.587 6.379 -1.326 1.00 12.00 C ATOM 1623 CG PHE A 104 -5.939 5.201 -2.067 1.00 12.00 C ATOM 1624 CD1 PHE A 104 -4.563 5.192 -2.396 1.00 12.00 C ATOM 1625 CD2 PHE A 104 -6.741 4.109 -2.444 1.00 12.00 C ATOM 1626 CE1 PHE A 104 -4.012 4.113 -3.091 1.00 12.00 C ATOM 1627 CE2 PHE A 104 -6.179 3.029 -3.149 1.00 12.00 C ATOM 1628 CZ PHE A 104 -4.820 3.037 -3.471 1.00 12.00 C ATOM 0 H PHE A 104 -5.305 6.911 0.956 1.00 12.00 H new ATOM 0 HA PHE A 104 -4.946 7.579 -1.958 1.00 12.00 H new ATOM 0 HB2 PHE A 104 -6.985 6.032 -0.372 1.00 12.00 H new ATOM 0 HB3 PHE A 104 -7.431 6.752 -1.907 1.00 12.00 H new ATOM 0 HD1 PHE A 104 -3.936 6.023 -2.109 1.00 12.00 H new ATOM 0 HD2 PHE A 104 -7.791 4.099 -2.192 1.00 12.00 H new ATOM 0 HE1 PHE A 104 -2.960 4.110 -3.335 1.00 12.00 H new ATOM 0 HE2 PHE A 104 -6.798 2.194 -3.441 1.00 12.00 H new ATOM 0 HZ PHE A 104 -4.391 2.209 -4.016 1.00 12.00 H new ATOM 1638 N ALA A 105 -5.987 9.904 -1.563 1.00 12.00 N ATOM 1639 CA ALA A 105 -6.633 11.237 -1.285 1.00 12.00 C ATOM 1640 C ALA A 105 -7.197 11.913 -2.537 1.00 12.00 C ATOM 1641 O ALA A 105 -7.633 13.052 -2.459 1.00 12.00 O ATOM 1642 CB ALA A 105 -5.586 12.162 -0.659 1.00 12.00 C ATOM 0 H ALA A 105 -5.307 9.897 -2.323 1.00 12.00 H new ATOM 0 HA ALA A 105 -7.473 11.055 -0.615 1.00 12.00 H new ATOM 0 HB1 ALA A 105 -6.036 13.133 -0.451 1.00 12.00 H new ATOM 0 HB2 ALA A 105 -5.222 11.724 0.270 1.00 12.00 H new ATOM 0 HB3 ALA A 105 -4.753 12.289 -1.350 1.00 12.00 H new ATOM 1648 N GLY A 106 -7.205 11.250 -3.671 1.00 12.00 N ATOM 1649 CA GLY A 106 -7.755 11.892 -4.909 1.00 12.00 C ATOM 1650 C GLY A 106 -8.299 10.825 -5.849 1.00 12.00 C ATOM 1651 O GLY A 106 -7.943 9.668 -5.744 1.00 12.00 O ATOM 0 H GLY A 106 -6.857 10.299 -3.792 1.00 12.00 H new ATOM 0 HA2 GLY A 106 -8.546 12.593 -4.644 1.00 12.00 H new ATOM 0 HA3 GLY A 106 -6.975 12.466 -5.409 1.00 12.00 H new ATOM 1655 N ILE A 107 -9.153 11.223 -6.769 1.00 12.00 N ATOM 1656 CA ILE A 107 -9.736 10.257 -7.748 1.00 12.00 C ATOM 1657 C ILE A 107 -9.049 10.452 -9.109 1.00 12.00 C ATOM 1658 O ILE A 107 -9.631 10.195 -10.154 1.00 12.00 O ATOM 1659 CB ILE A 107 -11.245 10.505 -7.874 1.00 12.00 C ATOM 1660 CG1 ILE A 107 -11.890 10.433 -6.489 1.00 12.00 C ATOM 1661 CG2 ILE A 107 -11.869 9.434 -8.775 1.00 12.00 C ATOM 1662 CD1 ILE A 107 -13.247 11.138 -6.526 1.00 12.00 C ATOM 0 H ILE A 107 -9.470 12.186 -6.880 1.00 12.00 H new ATOM 0 HA ILE A 107 -9.576 9.234 -7.407 1.00 12.00 H new ATOM 0 HB ILE A 107 -11.413 11.491 -8.308 1.00 12.00 H new ATOM 0 HG12 ILE A 107 -12.016 9.393 -6.187 1.00 12.00 H new ATOM 0 HG13 ILE A 107 -11.243 10.904 -5.749 1.00 12.00 H new ATOM 0 HG21 ILE A 107 -12.941 9.612 -8.863 1.00 12.00 H new ATOM 0 HG22 ILE A 107 -11.411 9.478 -9.763 1.00 12.00 H new ATOM 0 HG23 ILE A 107 -11.699 8.449 -8.340 1.00 12.00 H new ATOM 0 HD11 ILE A 107 -13.710 11.089 -5.540 1.00 12.00 H new ATOM 0 HD12 ILE A 107 -13.107 12.181 -6.809 1.00 12.00 H new ATOM 0 HD13 ILE A 107 -13.892 10.647 -7.255 1.00 12.00 H new ATOM 1674 N GLY A 108 -7.807 10.903 -9.092 1.00 12.00 N ATOM 1675 CA GLY A 108 -7.045 11.123 -10.362 1.00 12.00 C ATOM 1676 C GLY A 108 -6.392 12.509 -10.336 1.00 12.00 C ATOM 1677 O GLY A 108 -5.176 12.627 -10.327 1.00 12.00 O ATOM 0 H GLY A 108 -7.290 11.128 -8.242 1.00 12.00 H new ATOM 0 HA2 GLY A 108 -6.283 10.353 -10.479 1.00 12.00 H new ATOM 0 HA3 GLY A 108 -7.714 11.041 -11.218 1.00 12.00 H new